A0A096M1D1_POEFO Loading...

CRC domain-containing protein

AlphaFold DB , UniProt , Accession A0A096M1D1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 189 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
1Y86.7Confident93.8Very high239 Ų23978 Ų7894%0.93741%0.414SS*.  0141.40176.9-98.8000107.3E3Y1-E3 HydrophobicContact CE1-CG 4.17Å
2C94.9Very high94Very high39 Ų3979.3 Ų79.326%0.26443%0.434SS..  trans-138.6122.3-174.3173.60000110.1F5 A6C2-F5 HydrophobicContact CB-CB 3.95Å; C2-F5 PolarHBondContact SG-N 3.4Å; C2-F5 VanDerWaalsContact SG-N 3.4Å; C2-A6 PolarHBondContact O-N 3.34Å; C2-A6 VanDerWaalsContact O-N 3.07Å
3E91.3Very high94Very high138 Ų13886.9 Ų86.965%0.64547%0.474SS*.Hα-helixtrans-71.5-41.3-179.6-69.5179.3-173.100112.5Y1 F5 A6 N7Y1-E3 HydrophobicContact CE1-CG 4.17Å; E3-F5 VanDerWaalsContact C-N 3.3Å; E3-F5 PolarHBondContact O-N 3.43Å; E3-A6 PolarHBondContact O-N 2.88Å; E3-A6 VanDerWaalsContact O-N 3.13Å; E3-N7 WeakPolarHBondContact O-CB 3.44Å; E3-N7 PolarHBondContact O-N 3.17Å; E3-N7 PolarHBondContact O-ND2 2.94Å
4C95.6Very high94.2Very high33 Ų3384.6 Ų84.622%0.22347%0.466CS..Hα-helixtrans-54.1-49.6174.7-55.30000110.7A6 N7 G8 V9C4-A6 PolarHBondContact O-N 3.04Å; C4-N7 CarbonylContact O-C 3.04Å; C4-N7 PolarHBondContact O-N 3.46Å; C4-G8 PolarHBondContact O-N 3.46Å; C4-V9 CarbonylContact C-O 3.31Å; C4-V9 VanDerWaalsContact C-O 3.23Å; C4-V9 HydrophobicContact CB-CG2 3.95Å; C4-V9 VanDerWaalsContact O-CG2 3.28Å; C4-V9 WeakPolarHBondContact O-CG2 3.43Å; C4-V9 PolarHBondContact O-N 3.33Å
5F96.2Very high94.4Very high45 Ų4590.5 Ų90.520%0.19750%0.497CS..Hα-helixtrans-62.1-44.9177.2-174.7-93.2000111.6C2 E3 N7 G8 N21 A32 I33 A36 F44C2-F5 HydrophobicContact CB-CB 3.95Å; C2-F5 PolarHBondContact SG-N 3.4Å; C2-F5 VanDerWaalsContact SG-N 3.4Å; E3-F5 VanDerWaalsContact C-N 3.3Å; E3-F5 PolarHBondContact O-N 3.43Å; F5-N7 PolarHBondContact O-N 3.2Å; F5-G8 PolarHBondContact O-N 2.83Å; F5-N21 HydrophobicContact CD2-CB 4.39Å; F5-N21 PolarHBondContact N-ND2 3.47Å; F5-A32 HydrophobicContact CE2-CB 4.08Å; F5-A32 HydrophobicContact CZ-CB 3.84Å; F5-I33 HydrophobicContact CE2-CG1 3.8Å; F5-I33 HydrophobicContact CZ-CG1 3.92Å; F5-A36 HydrophobicContact CE1-CB 4.45Å; F5-F44 HydrophobicContact CD1-CE1 4.24Å; F5-F44 HydrophobicContact CD1-CZ 4.49Å; F5-F44 AromaticContact CE1-CE1 3.92Å; F5-F44 HydrophobicContact CE1-CE1 3.92Å; F5-F44 AromaticContact CE1-CZ 3.73Å; F5-F44 HydrophobicContact CE1-CZ 3.73Å; F5-F44 HydrophobicContact CZ-CE1 4.21Å; F5-F44 AromaticContact CZ-CZ 3.82Å; F5-F44 HydrophobicContact CZ-CZ 3.82Å; F5-F44 VanDerWaalsContact O-CE1 3.27Å; F5-F44 WeakPolarHBondContact O-CE1 3.45Å
6A92.4Very high94.5Very high36 Ų3688.6 Ų88.630%0.29849%0.492SS..Hα-helixtrans-60-31.2177.100000112.9C2 E3 C4 G8C2-A6 PolarHBondContact O-N 3.34Å; C2-A6 VanDerWaalsContact O-N 3.07Å; E3-A6 PolarHBondContact O-N 2.88Å; E3-A6 VanDerWaalsContact O-N 3.13Å; C4-A6 PolarHBondContact O-N 3.04Å; A6-G8 VanDerWaalsContact C-N 3.3Å
7N91.4Very high94.5Very high109 Ų10990.1 Ų90.158%0.58351%0.51SS*.THydrogen-bonded Turntrans-85.92.8175.4-67.4-31.4000113.5E3 C4 F5 V9E3-N7 WeakPolarHBondContact O-CB 3.44Å; E3-N7 PolarHBondContact O-N 3.17Å; E3-N7 PolarHBondContact O-ND2 2.94Å; C4-N7 CarbonylContact O-C 3.04Å; C4-N7 PolarHBondContact O-N 3.46Å; F5-N7 PolarHBondContact O-N 3.2Å; N7-V9 VanDerWaalsContact C-N 3.26Å; N7-V9 HydrophobicContact CB-CG2 4.3Å; N7-V9 PolarHBondContact O-N 3.21Å
8G93.3Very high94.6Very high37 Ų3793.8 Ų93.838%0.38153%0.528SS..THydrogen-bonded Turntrans75.78.317900000114.9C4 F5 A6C4-G8 PolarHBondContact O-N 3.46Å; F5-G8 PolarHBondContact O-N 2.83Å; A6-G8 VanDerWaalsContact C-N 3.3Å
9V95.1Very high94.7Very high78 Ų7890.7 Ų90.747%0.47351%0.512SS..PPolyproline II helixtrans-101.8153-179.8-60.90000111.4C4 N7 N21C4-V9 CarbonylContact C-O 3.31Å; C4-V9 VanDerWaalsContact C-O 3.23Å; C4-V9 HydrophobicContact CB-CG2 3.95Å; C4-V9 VanDerWaalsContact O-CG2 3.28Å; C4-V9 WeakPolarHBondContact O-CG2 3.43Å; C4-V9 PolarHBondContact O-N 3.33Å; N7-V9 VanDerWaalsContact C-N 3.26Å; N7-V9 HydrophobicContact CB-CG2 4.3Å; N7-V9 PolarHBondContact O-N 3.21Å; V9-N21 PolarHBondContact O-ND2 3.46Å
10M96.7Very high94.9Very high80 Ų8090.5 Ų90.539%0.39451%0.507SS..PPolyproline II helixtrans-71153.1170.6-67.4-175.9-176.300110.1
11C97.9Very high95Very high24 Ų2486.7 Ų86.716%0.16249%0.485CS..PPolyproline II helixtrans-70.6132.6171.6-660000109.5C14 N21C11-C14 HydrophobicContact CB-CB 4.32Å; C11-N21 PolarHBondContact N-ND2 3.3Å; C11-N21 PolarHBondContact N-O 3.31Å; C11-N21 PolarHBondContact SG-ND2 3.4Å; C11-N21 VanDerWaalsContact SG-ND2 3.39Å
12S96.2Very high95.5Very high93 Ų9377 Ų7765%0.6545%0.45SS*.  trans-131.9128.917253.30000108.7C14S12-C14 VanDerWaalsContact C-N 3.28Å; S12-C14 PolarHBondContact O-N 3.4Å; S12-C14 PolarHBondContact O-SG 3.29Å
13N95.1Very high95.6Very high179 Ų17982.7 Ų82.796%0.95747%0.473SS*.SBendtrans4845.3-179.9-58.3-23.6000114
14C96.3Very high95.9Very high54 Ų5484.1 Ų84.137%0.36548%0.479SS..  trans-105.7149.7-178.9-58.50000111.5C11 S12 C16C11-C14 HydrophobicContact CB-CB 4.32Å; S12-C14 VanDerWaalsContact C-N 3.28Å; S12-C14 PolarHBondContact O-N 3.4Å; S12-C14 PolarHBondContact O-SG 3.29Å; C14-C16 HydrophobicContact CB-CB 4.48Å; C14-C16 VanDerWaalsContact CB-SG 3.51Å; C14-C16 PolarHBondContact O-N 2.84Å
15D96.3Very high96Very high174 Ų17484.7 Ų84.793%0.9348%0.478SS*.  trans-79.635.9175.3-56.9-46.3000113.4
16C96.3Very high96Very high60 Ų6087.4 Ų87.441%0.40549%0.492SS..  trans-77.2127.5-175.9-64.60000111.6C14 C19C14-C16 HydrophobicContact CB-CB 4.48Å; C14-C16 VanDerWaalsContact CB-SG 3.51Å; C14-C16 PolarHBondContact O-N 2.84Å; C16-C19 HydrophobicContact CB-CB 3.79Å
17S95.6Very high96.3Very high114 Ų11490.9 Ų90.980%0.79751%0.505SS*.THydrogen-bonded Turntrans-81.9134.3167.2-42.10000111C19S17-C19 PolarHBondContact O-N 2.86Å
18N95.6Very high96.6Very high157 Ų15790.8 Ų90.884%0.8450%0.499SS*.THydrogen-bonded Turntrans5149.3-179.5-64.6-27.8000113.7H20N18-H20 PolarHBondContact O-N 3.3Å
19C97Very high96.8Very high34 Ų3491 Ų9123%0.2349%0.488CS..  trans-68.5122.5-177.7-171.70000111.8C16 S17 N21 N22C16-C19 HydrophobicContact CB-CB 3.79Å; S17-C19 PolarHBondContact O-N 2.86Å; C19-N21 PolarHBondContact SG-N 3.15Å; C19-N22 PolarHBondContact O-ND2 2.93Å
20H97.8Very high96.9Very high87 Ų8792 Ų9240%0.40348%0.484SS..  trans-110.412168.7-63.1163000112.6N18 N22 H25N18-H20 PolarHBondContact O-N 3.3Å; H20-N22 VanDerWaalsContact C-N 3.34Å; H20-N22 PolarHBondContact O-N 2.95Å; H20-H25 HydrophobicContact CB-CB 3.95Å; H20-H25 AromaticContact CD2-CD2 3.33Å; H20-H25 PolarHBondContact CD2-CD2 3.42Å; H20-H25 AromaticContact CD2-CE1 3.95Å; H20-H25 AromaticContact CD2-CG 3.66Å; H20-H25 AromaticContact CD2-NE2 3.5Å; H20-H25 AromaticContact CG-CD2 3.97Å; H20-H25 AromaticContact NE2-CD2 3.83Å; H20-H25 AromaticContact NE2-NE2 3.81Å
21N97.9Very high97Very high10 Ų1093.9 Ų93.95%0.05349%0.491CS..SBendtrans-9858.7174.5-175.637.5000110.5F5 V9 C11 C19 R29F5-N21 HydrophobicContact CD2-CB 4.39Å; F5-N21 PolarHBondContact N-ND2 3.47Å; V9-N21 PolarHBondContact O-ND2 3.46Å; C11-N21 PolarHBondContact N-ND2 3.3Å; C11-N21 PolarHBondContact N-O 3.31Å; C11-N21 PolarHBondContact SG-ND2 3.4Å; C11-N21 VanDerWaalsContact SG-ND2 3.39Å; C19-N21 PolarHBondContact SG-N 3.15Å; N21-R29 WeakPolarHBondContact OD1-CD 3.5Å; N21-R29 PolarHBondContact OD1-NE 3.07Å
22N97.2Very high97Very high36 Ų3694.7 Ų94.719%0.19350%0.5CS..SBendtrans-143.6178-179.152.546.9000110C19 H20 E24 H25C19-N22 PolarHBondContact O-ND2 2.93Å; H20-N22 VanDerWaalsContact C-N 3.34Å; H20-N22 PolarHBondContact O-N 2.95Å; N22-E24 PolarHBondContact OD1-N 3.37Å; N22-H25 WeakPolarHBondContact OD1-CB 3.44Å; N22-H25 PolarHBondContact OD1-N 3.43Å; N22-H25 PolarHBondContact OD1-ND1 2.96Å
23E96.4Very high97Very high159 Ų15992.1 Ų92.174%0.74348%0.478SS*.SBendtrans-69.1-39.6-179.4-171.2169.4-157.300112.5H25 E26E23-H25 PolarHBondContact O-N 3.49Å; E23-E26 WeakPolarHBondContact O-CB 3.13Å; E23-E26 PolarHBondContact O-N 2.88Å; E23-E26 VanDerWaalsContact O-N 3.16Å
24E97.3Very high97.1Very high168 Ų16890.3 Ų90.379%0.78546%0.462SS*.THydrogen-bonded Turntrans-57.4-34.2178.8-171.7-173.9-178.100112.6N22N22-E24 PolarHBondContact OD1-N 3.37Å
25H97.9Very high97.1Very high45 Ų4589.6 Ų89.621%0.20846%0.46CS..THydrogen-bonded Turntrans-102.634.1-178.9-63.184.3000113.2H20 N22 E23 L27 K28 R29H20-H25 HydrophobicContact CB-CB 3.95Å; H20-H25 AromaticContact CD2-CD2 3.33Å; H20-H25 PolarHBondContact CD2-CD2 3.42Å; H20-H25 AromaticContact CD2-CE1 3.95Å; H20-H25 AromaticContact CD2-CG 3.66Å; H20-H25 AromaticContact CD2-NE2 3.5Å; H20-H25 AromaticContact CG-CD2 3.97Å; H20-H25 AromaticContact NE2-CD2 3.83Å; H20-H25 AromaticContact NE2-NE2 3.81Å; N22-H25 WeakPolarHBondContact OD1-CB 3.44Å; N22-H25 PolarHBondContact OD1-N 3.43Å; N22-H25 PolarHBondContact OD1-ND1 2.96Å; E23-H25 PolarHBondContact O-N 3.49Å; H25-L27 VanDerWaalsContact C-N 3.32Å; H25-L27 PolarHBondContact O-N 3.26Å; H25-K28 PolarHBondContact O-N 3.29Å; H25-R29 WeakPolarHBondContact O-CB 3.37Å; H25-R29 PolarHBondContact O-N 3.19Å
26E97.1Very high97.1Very high102 Ų10281.8 Ų81.848%0.47742%0.42SS..Hα-helixtrans-53.2-44.1-172.1-156-148.1152.700113.7E23 R29 R30E23-E26 WeakPolarHBondContact O-CB 3.13Å; E23-E26 PolarHBondContact O-N 2.88Å; E23-E26 VanDerWaalsContact O-N 3.16Å; E26-R29 PolarHBondContact O-N 3.19Å; E26-R30 WeakPolarHBondContact O-CB 3.39Å; E26-R30 PolarHBondContact O-N 2.83Å; E26-R30 IonicContact OE1-CZ 3.69Å; E26-R30 IonicContact OE1-NE 3.85Å; E26-R30 IonicContact OE1-NH2 2.72Å; E26-R30 PolarHBondContact OE1-NH2 2.99Å; E26-R30 IonicContact OE2-NH2 3.2Å; E26-R30 PolarHBondContact OE2-NH2 3.21Å
27L97.4Very high97Very high108 Ų10883.3 Ų83.357%0.56542%0.422SS*.Hα-helixtrans-62.2-51.9-179.7-175.467.4000111.4H25 R29 R30 E31H25-L27 VanDerWaalsContact C-N 3.32Å; H25-L27 PolarHBondContact O-N 3.26Å; L27-R29 VanDerWaalsContact C-N 3.3Å; L27-R29 PolarHBondContact O-N 3.39Å; L27-R30 PolarHBondContact O-N 2.9Å; L27-E31 WeakPolarHBondContact O-CG 3.42Å; L27-E31 PolarHBondContact O-N 3.38Å
28K97.7Very high97Very high107 Ų10785.2 Ų85.247%0.46542%0.423SS..Hα-helixtrans-61.1-40.3177.6-67.1-177.4-174.4168.10111.1H25 E31 A32H25-K28 PolarHBondContact O-N 3.29Å; K28-E31 PolarHBondContact O-N 3.01Å; K28-A32 WeakPolarHBondContact O-CB 3.4Å; K28-A32 PolarHBondContact O-N 2.87Å
29R97.8Very high96.9Very high42 Ų4286.8 Ų86.816%0.15842%0.417CS..Hα-helixtrans-61-46.6176.2-177.4179.6171.9-89.5-2.3111.2N21 H25 E26 L27 E31 A32 I33N21-R29 WeakPolarHBondContact OD1-CD 3.5Å; N21-R29 PolarHBondContact OD1-NE 3.07Å; H25-R29 WeakPolarHBondContact O-CB 3.37Å; H25-R29 PolarHBondContact O-N 3.19Å; E26-R29 PolarHBondContact O-N 3.19Å; L27-R29 VanDerWaalsContact C-N 3.3Å; L27-R29 PolarHBondContact O-N 3.39Å; R29-E31 PolarHBondContact O-N 3.35Å; R29-A32 WeakPolarHBondContact O-CB 3.33Å; R29-A32 PolarHBondContact O-N 3.5Å; R29-I33 HydrophobicContact CG-CD1 4.14Å; R29-I33 WeakPolarHBondContact O-CG1 3.48Å; R29-I33 PolarHBondContact O-N 3.37Å
30R97.8Very high96.5Very high99 Ų9988.4 Ų88.437%0.37442%0.423SS..Hα-helixtrans-63-42179.9-163.7-172.6-50.6122.5-0.5112E26 L27 I33 K34E26-R30 WeakPolarHBondContact O-CB 3.39Å; E26-R30 PolarHBondContact O-N 2.83Å; E26-R30 IonicContact OE1-CZ 3.69Å; E26-R30 IonicContact OE1-NE 3.85Å; E26-R30 IonicContact OE1-NH2 2.72Å; E26-R30 PolarHBondContact OE1-NH2 2.99Å; E26-R30 IonicContact OE2-NH2 3.2Å; E26-R30 PolarHBondContact OE2-NH2 3.21Å; L27-R30 PolarHBondContact O-N 2.9Å; R30-I33 PolarHBondContact O-N 2.89Å; R30-K34 WeakPolarHBondContact O-CG 3.38Å; R30-K34 PolarHBondContact O-N 3.16Å
31E98.1Very high96.2Very high119 Ų11988.9 Ų88.956%0.55643%0.434SS*.Hα-helixtrans-63.2-43.5174.3-70.2177.2159.200111.8L27 K28 R29 I33 K34 A35L27-E31 WeakPolarHBondContact O-CG 3.42Å; L27-E31 PolarHBondContact O-N 3.38Å; K28-E31 PolarHBondContact O-N 3.01Å; R29-E31 PolarHBondContact O-N 3.35Å; E31-I33 VanDerWaalsContact C-N 3.33Å; E31-I33 PolarHBondContact O-N 3.05Å; E31-K34 PolarHBondContact O-N 2.72Å; E31-A35 WeakPolarHBondContact O-CB 3.36Å; E31-A35 PolarHBondContact O-N 3.2Å
32A97.3Very high95.7Very high42 Ų4292.4 Ų92.435%0.34745%0.453SS..Hα-helixtrans-61.4-40.1175.800000112.3F5 K28 R29 A35 A36F5-A32 HydrophobicContact CE2-CB 4.08Å; F5-A32 HydrophobicContact CZ-CB 3.84Å; K28-A32 WeakPolarHBondContact O-CB 3.4Å; K28-A32 PolarHBondContact O-N 2.87Å; R29-A32 WeakPolarHBondContact O-CB 3.33Å; R29-A32 PolarHBondContact O-N 3.5Å; A32-A35 PolarHBondContact O-N 3.4Å; A32-A36 WeakPolarHBondContact O-CB 3.45Å; A32-A36 PolarHBondContact O-N 3.04Å
33I96.6Very high95.3Very high38 Ų3892.2 Ų92.220%0.19546%0.456CS..Hα-helixtrans-61.6-51.6174.6-70.3167.2000110.2F5 R29 R30 E31 A35 A36 M37 F44F5-I33 HydrophobicContact CE2-CG1 3.8Å; F5-I33 HydrophobicContact CZ-CG1 3.92Å; R29-I33 HydrophobicContact CG-CD1 4.14Å; R29-I33 WeakPolarHBondContact O-CG1 3.48Å; R29-I33 PolarHBondContact O-N 3.37Å; R30-I33 PolarHBondContact O-N 2.89Å; E31-I33 VanDerWaalsContact C-N 3.33Å; E31-I33 PolarHBondContact O-N 3.05Å; I33-A35 VanDerWaalsContact C-N 3.33Å; I33-A35 PolarHBondContact O-N 2.81Å; I33-A36 PolarHBondContact O-N 3.06Å; I33-A36 VanDerWaalsContact O-N 3.15Å; I33-M37 HydrophobicContact CG2-SD 4.12Å; I33-M37 WeakPolarHBondContact O-CG 3.46Å; I33-M37 PolarHBondContact O-N 2.84Å; I33-F44 HydrophobicContact CB-CE2 4.22Å; I33-F44 HydrophobicContact CB-CZ 4.22Å; I33-F44 HydrophobicContact CG1-CE2 4.44Å; I33-F44 HydrophobicContact CG1-CZ 4Å; I33-F44 HydrophobicContact CG2-CD2 4.26Å; I33-F44 HydrophobicContact CG2-CE2 3.71Å; I33-F44 HydrophobicContact CG2-CZ 4.13Å
34K97.3Very high95Very high141 Ų14187.2 Ų87.261%0.61343%0.432SS*.Hα-helixtrans-57.2-46.3178.1-73.5-179.3179.4-177.40111.7R30 E31 A36 M37 L38R30-K34 WeakPolarHBondContact O-CG 3.38Å; R30-K34 PolarHBondContact O-N 3.16Å; E31-K34 PolarHBondContact O-N 2.72Å; K34-A36 VanDerWaalsContact C-N 3.33Å; K34-A36 PolarHBondContact O-N 3.22Å; K34-M37 PolarHBondContact O-N 3.25Å; K34-L38 WeakPolarHBondContact O-CB 3.42Å; K34-L38 PolarHBondContact O-N 2.81Å
35A97.4Very high94.3Very high39 Ų3986 Ų8632%0.32242%0.424SS..Hα-helixtrans-63.5-36.7178.400000112.6E31 A32 I33 R39E31-A35 WeakPolarHBondContact O-CB 3.36Å; E31-A35 PolarHBondContact O-N 3.2Å; A32-A35 PolarHBondContact O-N 3.4Å; I33-A35 VanDerWaalsContact C-N 3.33Å; I33-A35 PolarHBondContact O-N 2.81Å; A35-R39 PolarHBondContact O-N 3.21Å; A35-R39 PolarHBondContact O-NH1 2.95Å
36A95.6Very high93Very high11 Ų1188.1 Ų88.19%0.09144%0.444CS..Hα-helixtrans-67.3-43.4175.100000112.1F5 A32 I33 K34 L38 R39 N40 A43 F44F5-A36 HydrophobicContact CE1-CB 4.45Å; A32-A36 WeakPolarHBondContact O-CB 3.45Å; A32-A36 PolarHBondContact O-N 3.04Å; I33-A36 PolarHBondContact O-N 3.06Å; I33-A36 VanDerWaalsContact O-N 3.15Å; K34-A36 VanDerWaalsContact C-N 3.33Å; K34-A36 PolarHBondContact O-N 3.22Å; A36-L38 VanDerWaalsContact C-N 3.33Å; A36-L38 PolarHBondContact O-N 2.99Å; A36-R39 PolarHBondContact O-N 3.11Å; A36-N40 PolarHBondContact O-N 3.31Å; A36-A43 HydrophobicContact CB-CB 4.36Å; A36-F44 HydrophobicContact CB-CE2 3.8Å; A36-F44 HydrophobicContact CB-CZ 3.78Å
37M94.1Very high91.4Very high92 Ų9289.8 Ų89.845%0.45345%0.45SS..Hα-helixtrans-65.3-35.4176.3-66.2-177.677.500112.6I33 K34 R39 N40 P41 F44I33-M37 HydrophobicContact CG2-SD 4.12Å; I33-M37 WeakPolarHBondContact O-CG 3.46Å; I33-M37 PolarHBondContact O-N 2.84Å; K34-M37 PolarHBondContact O-N 3.25Å; M37-R39 VanDerWaalsContact C-N 3.31Å; M37-R39 PolarHBondContact O-N 3.07Å; M37-N40 WeakPolarHBondContact CA-O 3.39Å; M37-N40 CarbonylContact O-C 3.58Å; M37-N40 PolarHBondContact O-N 2.86Å; M37-P41 WeakPolarHBondContact O-CA 3.46Å; M37-P41 VanDerWaalsContact O-N 3.11Å; M37-F44 HydrophobicContact CG-CD2 3.6Å; M37-F44 HydrophobicContact CG-CE2 3.68Å; M37-F44 HydrophobicContact SD-CD2 4.18Å; M37-F44 HydrophobicContact SD-CE2 4.5Å
38L95.3Very high89.3Confident154 Ų15490.9 Ų90.981%0.80646%0.455SS*.Hα-helixtrans-62.8-39175.8-176.165.7000111.8K34 A36K34-L38 WeakPolarHBondContact O-CB 3.42Å; K34-L38 PolarHBondContact O-N 2.81Å; A36-L38 VanDerWaalsContact C-N 3.33Å; A36-L38 PolarHBondContact O-N 2.99Å
39R94.1Very high87.1Confident189 Ų18991.5 Ų91.571%0.71347%0.468SS*.Hα-helixtrans-74.3-36.5176.2-69.2-172.3-62.9-89.11112.7A35 A36 M37A35-R39 PolarHBondContact O-N 3.21Å; A35-R39 PolarHBondContact O-NH1 2.95Å; A36-R39 PolarHBondContact O-N 3.11Å; M37-R39 VanDerWaalsContact C-N 3.31Å; M37-R39 PolarHBondContact O-N 3.07Å
40N89Confident84.7Confident69 Ų6992.8 Ų92.837%0.36948%0.478SS..  trans-146.9108.1178.1174.512.2000109.5A36 M37 N42 A43A36-N40 PolarHBondContact O-N 3.31Å; M37-N40 WeakPolarHBondContact CA-O 3.39Å; M37-N40 CarbonylContact O-C 3.58Å; M37-N40 PolarHBondContact O-N 2.86Å; N40-N42 PolarHBondContact O-N 3.35Å; N40-N42 PolarHBondContact OD1-N 2.89Å; N40-A43 HydrophobicContact CB-CB 4.28Å; N40-A43 WeakPolarHBondContact O-CB 3.34Å; N40-A43 PolarHBondContact O-N 2.99Å
41P91Very high82.4Confident97 Ų9798 Ų9863%0.6350%0.498SS*.THydrogen-bonded Turntrans-58.5-21179.4-2735.2000114M37M37-P41 WeakPolarHBondContact O-CA 3.46Å; M37-P41 VanDerWaalsContact O-N 3.11Å
42N87.5Confident80.1Confident84 Ų8499.8 Ų99.845%0.44950%0.504SS..THydrogen-bonded Turntrans-96.813.5177.7-57.6-45.3000113.1N40 F44 K45N40-N42 PolarHBondContact O-N 3.35Å; N40-N42 PolarHBondContact OD1-N 2.89Å; N42-F44 PolarHBondContact O-N 3.49Å; N42-K45 HydrophobicContact CB-CD 4.16Å; N42-K45 HydrophobicContact CB-CG 4.44Å; N42-K45 PolarHBondContact O-N 2.93Å; N42-K45 VanDerWaalsContact OD1-CD 3.23Å; N42-K45 WeakPolarHBondContact OD1-CD 3.49Å; N42-K45 WeakPolarHBondContact OD1-CE 3.48Å; N42-K45 PolarHBondContact OD1-NZ 3Å
43A89.2Confident78Confident32 Ų32101.4 Ų101.426%0.26451%0.51SS..THydrogen-bonded Turntrans-56.3-32.8-174.600000114.5A36 N40A36-A43 HydrophobicContact CB-CB 4.36Å; N40-A43 HydrophobicContact CB-CB 4.28Å; N40-A43 WeakPolarHBondContact O-CB 3.34Å; N40-A43 PolarHBondContact O-N 2.99Å
44F90.3Very high75.7Confident54 Ų54103.2 Ų103.224%0.23754%0.537CS..THydrogen-bonded Turntrans-117.314.1-178.4-56.2-76.9000113.1F5 I33 A36 M37 N42 S46F5-F44 HydrophobicContact CD1-CE1 4.24Å; F5-F44 HydrophobicContact CD1-CZ 4.49Å; F5-F44 AromaticContact CE1-CE1 3.92Å; F5-F44 HydrophobicContact CE1-CE1 3.92Å; F5-F44 AromaticContact CE1-CZ 3.73Å; F5-F44 HydrophobicContact CE1-CZ 3.73Å; F5-F44 HydrophobicContact CZ-CE1 4.21Å; F5-F44 AromaticContact CZ-CZ 3.82Å; F5-F44 HydrophobicContact CZ-CZ 3.82Å; F5-F44 VanDerWaalsContact O-CE1 3.27Å; F5-F44 WeakPolarHBondContact O-CE1 3.45Å; I33-F44 HydrophobicContact CB-CE2 4.22Å; I33-F44 HydrophobicContact CB-CZ 4.22Å; I33-F44 HydrophobicContact CG1-CE2 4.44Å; I33-F44 HydrophobicContact CG1-CZ 4Å; I33-F44 HydrophobicContact CG2-CD2 4.26Å; I33-F44 HydrophobicContact CG2-CE2 3.71Å; I33-F44 HydrophobicContact CG2-CZ 4.13Å; A36-F44 HydrophobicContact CB-CE2 3.8Å; A36-F44 HydrophobicContact CB-CZ 3.78Å; M37-F44 HydrophobicContact CG-CD2 3.6Å; M37-F44 HydrophobicContact CG-CE2 3.68Å; M37-F44 HydrophobicContact SD-CD2 4.18Å; M37-F44 HydrophobicContact SD-CE2 4.5Å; N42-F44 PolarHBondContact O-N 3.49Å; F44-S46 PolarHBondContact O-N 2.96Å
45K82.8Confident73.2Confident142 Ų142103.4 Ų103.462%0.61754%0.538SS*.SBendtrans-71.8124.6171.2-75.2-171-177.11690108.2N42 K47N42-K45 HydrophobicContact CB-CD 4.16Å; N42-K45 HydrophobicContact CB-CG 4.44Å; N42-K45 PolarHBondContact O-N 2.93Å; N42-K45 VanDerWaalsContact OD1-CD 3.23Å; N42-K45 WeakPolarHBondContact OD1-CD 3.49Å; N42-K45 WeakPolarHBondContact OD1-CE 3.48Å; N42-K45 PolarHBondContact OD1-NZ 3Å; K45-K47 PolarHBondContact O-N 3.29Å
46S69Low70.8Confident89 Ų89102.7 Ų102.762%0.62253%0.532SS*.  trans-49.2131.2177.3-56.70000110.2F44 L48F44-S46 PolarHBondContact O-N 2.96Å; S46-L48 PolarHBondContact O-N 3.18Å
47K63.5Low68.4Low138 Ų138110.5 Ų110.560%0.656%0.564SS**  trans-68.674.2170.3-64.3177.8-177.9176.90107.8K45 V49 W59K45-K47 PolarHBondContact O-N 3.29Å; K47-V49 PolarHBondContact O-N 2.9Å; K47-W59 HydrophobicContact CD-CZ3 4.21Å
48L54.9Low66.3Low130 Ų130109.9 Ų109.968%0.68157%0.569SS**  trans-65.5106.6-178.4-66.5175.3000108.8S46S46-L48 PolarHBondContact O-N 3.18Å
49V51.4Low64.5Low121 Ų121105 Ų10573%0.73354%0.54SS*.  trans-82.1105.7160.8-175.20000105.8K47 W51K47-V49 PolarHBondContact O-N 2.9Å; V49-W51 PolarHBondContact O-N 3.26Å
50D47.3Very low62.6Low68 Ų6899.2 Ų99.236%0.36452%0.523SS..  trans-77.990.8176.7-165.73.6000109K52 T53 G54D50-K52 PolarHBondContact O-N 3.49Å; D50-T53 PolarHBondContact O-N 3.13Å; D50-T53 PolarHBondContact OD2-OG1 3.36Å; D50-G54 PolarHBondContact O-N 3.4Å
51W48.9Very low61.3Low208 Ų208102.9 Ų102.979%0.78854%0.542SS*.THydrogen-bonded Turntrans-64.5-21.4-176.374.6-86.4000113.1V49V49-W51 PolarHBondContact O-N 3.26Å
52K49.5Very low60.7Low158 Ų158105.8 Ų105.869%0.68755%0.545SS*.THydrogen-bonded Turntrans-79-23.1-177.8-64.9-172.4178.6-176.70113.6D50D50-K52 PolarHBondContact O-N 3.49Å
53T52.5Low60.8Low76 Ų76101.9 Ų101.947%0.46653%0.525SS..THydrogen-bonded Turntrans-114.4-8.3-176.257.30000113.5D50 K55D50-T53 PolarHBondContact O-N 3.13Å; D50-T53 PolarHBondContact OD2-OG1 3.36Å; T53-K55 PolarHBondContact O-N 2.97Å
54G48.3Very low61Low75 Ų75100.4 Ų100.477%0.77351%0.512SS*.  trans59.46-174.900000113.7D50D50-G54 PolarHBondContact O-N 3.4Å
55K44.9Very low61.2Low145 Ų145102.6 Ų102.663%0.6353%0.527SS*.  trans-105.7102.7-178.4-74.6-174.9-179.3179.60108T53 K57T53-K55 PolarHBondContact O-N 2.97Å; K55-K57 PolarHBondContact O-N 3.18Å
56A48.2Very low61.9Low24 Ų2496.6 Ų96.620%0.19850%0.502CS..  trans-64.672.1169.800000111S58 W59 N60A56-S58 PolarHBondContact O-N 3.27Å; A56-S58 VanDerWaalsContact O-N 3.16Å; A56-W59 HydrophobicContact CB-CB 4.31Å; A56-N60 PolarHBondContact O-ND2 2.94Å; A56-N60 PolarHBondContact O-OD1 3.28Å
57K45.3Very low63.2Low175 Ų175100 Ų10076%0.76151%0.506SS*.THydrogen-bonded Turntrans-62.7-22.1-175.8-87.6-175.7176176.90113.6K55K55-K57 PolarHBondContact O-N 3.18Å
58S49.8Very low64.7Low79 Ų79105 Ų10555%0.55252%0.521SS*.THydrogen-bonded Turntrans-98.1-31.2-175.6-169.20000114.2A56A56-S58 PolarHBondContact O-N 3.27Å; A56-S58 VanDerWaalsContact O-N 3.16Å
59W56.9Low66.5Low52 Ų5299.6 Ų99.620%0.19749%0.494CS..G310 helixtrans-74.5-34.9-177-174.5-89.6000113.3K47 A56 N61 K62 E77 I83K47-W59 HydrophobicContact CD-CZ3 4.21Å; A56-W59 HydrophobicContact CB-CB 4.31Å; W59-N61 PolarHBondContact O-N 3.4Å; W59-K62 PolarHBondContact O-N 3.04Å; W59-E77 HydrophobicContact CH2-CB 3.38Å; W59-E77 VanDerWaalsContact CH2-CD 3.49Å; W59-E77 HydrophobicContact CH2-CG 3.91Å; W59-E77 WeakPolarHBondContact CH2-OE2 3.27Å; W59-E77 HydrophobicContact CZ2-CB 3.2Å; W59-E77 HydrophobicContact CZ2-CG 4.11Å; W59-E77 VanDerWaalsContact CZ2-OE2 3.25Å; W59-E77 WeakPolarHBondContact CZ2-OE2 3.43Å; W59-I83 HydrophobicContact CB-CD1 4.49Å; W59-I83 HydrophobicContact CG-CD1 3.82Å
60N54.3Low68.6Low67 Ų6794.6 Ų94.636%0.35847%0.467SS..G310 helixtrans-65.2-9.8-162.2-68.6-3.5000115.7A56 S88A56-N60 PolarHBondContact O-ND2 2.94Å; A56-N60 PolarHBondContact O-OD1 3.28Å; N60-S88 WeakPolarHBondContact O-CB 3.3Å; N60-S88 PolarHBondContact O-OG 3.24Å
61N61.5Low70.9Confident146 Ų14691.4 Ų91.478%0.78145%0.45SS*.G310 helixtrans-92.7-24.1-176.5-86.512.9000115.2W59W59-N61 PolarHBondContact O-N 3.4Å
62K78.3Confident72.9Confident158 Ų15883.9 Ų83.969%0.68743%0.425SS*.THydrogen-bonded Turntrans-89.3-38.3-174.9-161.7177.7178.4-169.40113.2W59W59-K62 PolarHBondContact O-N 3.04Å
63G89.1Confident74.8Confident2 Ų282 Ų822%0.02142%0.417CS..  trans62.6165.8-175.100000113.9
64C93.9Very high76.6Confident1 Ų183.8 Ų83.81%0.00742%0.424CS..  trans-90.4163.7176.774.60000112.2C85 C89 K90C64-C85 VanDerWaalsContact SG-SG 3.68Å; C64-C89 PolarHBondContact N-SG 3.4Å; C64-K90 PolarHBondContact O-N 2.97Å
65N95.6Very high78.6Confident100 Ų10089.4 Ų89.454%0.53542%0.423SS..  trans-124.730.8179.1-63.8-89.4000112K90N65-K90 WeakPolarHBondContact OD1-CB 3.43Å
66C96.4Very high81Confident16 Ų1682.5 Ų82.511%0.10839%0.393CS..  trans-63.6139.6-173.4-59.70000112.4S69 C76 C91 I92C66-S69 WeakPolarHBondContact CB-OG 3.21Å; C66-C76 VanDerWaalsContact SG-CA 3.59Å; C66-C76 VanDerWaalsContact SG-CB 3.53Å; C66-C76 VanDerWaalsContact SG-SG 3.66Å; C66-C91 HydrophobicContact CB-CB 4.06Å; C66-C91 CarbonylContact O-C 3.46Å; C66-C91 WeakPolarHBondContact O-CA 3.42Å; C66-C91 WeakPolarHBondContact O-CB 3.25Å; C66-I92 PolarHBondContact O-N 3.35Å
67K96.5Very high82.9Confident161 Ų16184.8 Ų84.870%0.740%0.399SS*.SBendtrans-115-23.6178-62.9-177.9178.8-179.80114.7I92K67-I92 HydrophobicContact CG-CD1 4.26Å
68R95Very high85.1Confident244 Ų24476.5 Ų76.592%0.92136%0.364SS*.SBendtrans-131.3-16.4-169.5-62.4-177.3-175.6161-0.1114.8G70R68-G70 VanDerWaalsContact C-N 3.25Å; R68-G70 PolarHBondContact O-N 3.45Å
69S93.5Very high87Confident15 Ų1575.6 Ų75.611%0.10535%0.348CS..SBendtrans-78.6-9.6-17557.70000113.5C66 C71 L72C66-S69 WeakPolarHBondContact CB-OG 3.21Å; S69-C71 PolarHBondContact O-N 3.11Å; S69-C71 PolarHBondContact OG-N 3.39Å; S69-L72 PolarHBondContact O-N 3.41Å
70G94.1Very high88.6Confident16 Ų1679.2 Ų79.217%0.16537%0.368CS..THydrogen-bonded Turntrans57.411.5-165.800000113.3R68 L72 G93 L95R68-G70 VanDerWaalsContact C-N 3.25Å; R68-G70 PolarHBondContact O-N 3.45Å; G70-L72 PolarHBondContact O-N 3.4Å; G70-G93 WeakPolarHBondContact CA-O 3.48Å; G70-L95 WeakPolarHBondContact O-CA 3.16Å; G70-L95 WeakPolarHBondContact O-CB 3.42Å; G70-L95 PolarHBondContact O-N 2.96Å
71C95.6Very high90Very high1 Ų178.6 Ų78.61%0.00737%0.371CS..THydrogen-bonded Turntrans5722.2-168.1-55.20000114.9S69 C76 Y79 C91 N96S69-C71 PolarHBondContact O-N 3.11Å; S69-C71 PolarHBondContact OG-N 3.39Å; C71-C76 HydrophobicContact CB-CB 4.22Å; C71-Y79 WeakPolarHBondContact O-CB 3.25Å; C71-Y79 VanDerWaalsContact O-CD2 3.3Å; C71-Y79 WeakPolarHBondContact O-CD2 3.23Å; C71-C91 VanDerWaalsContact SG-CB 3.57Å; C71-N96 HydrophobicContact CB-CB 3.46Å; C71-N96 VanDerWaalsContact CB-CB 3.46Å; C71-N96 VanDerWaalsContact O-CB 3.25Å; C71-N96 WeakPolarHBondContact O-CB 3.36Å
72L91.5Very high91Very high50 Ų5076.1 Ų76.126%0.26236%0.358SS..  trans-112.922.9179.4-63.1179.4000113.3S69 G70 Y79 L95 N96S69-L72 PolarHBondContact O-N 3.41Å; G70-L72 PolarHBondContact O-N 3.4Å; L72-Y79 HydrophobicContact CB-CE2 4.44Å; L72-Y79 HydrophobicContact CD2-CD2 4.43Å; L72-Y79 HydrophobicContact CD2-CE2 4.33Å; L72-L95 HydrophobicContact CD1-CB 3.65Å; L72-L95 HydrophobicContact CD1-CD1 3.99Å; L72-L95 HydrophobicContact CD1-CG 4.47Å; L72-L95 HydrophobicContact CD2-CB 4.45Å; L72-L95 HydrophobicContact CG-CB 3.93Å; L72-N96 HydrophobicContact CD2-CB 4.36Å
73K89.8Confident91.3Very high119 Ų11970.7 Ų70.752%0.51734%0.336SS..SBendtrans-140157.3-179.3-60.2-174.7-179.6-174.50109Y75 C76 Y79K73-Y75 HydrophobicContact CB-CD2 3.72Å; K73-Y75 HydrophobicContact CB-CE2 4.27Å; K73-Y75 HydrophobicContact CD-CD2 4.06Å; K73-Y75 HydrophobicContact CD-CE2 4.01Å; K73-Y75 PolarHBondContact O-N 3.47Å; K73-C76 WeakPolarHBondContact O-CB 3.28Å; K73-C76 PolarHBondContact O-N 3.43Å; K73-Y79 WeakPolarHBondContact O-CD1 3.38Å
74N89.4Confident91.3Very high114 Ų11473.2 Ų73.261%0.6135%0.347SS*.THydrogen-bonded Turntrans-62.5-9.4-178.9-64.6-9.9000114.3C76 Y79N74-C76 PolarHBondContact O-N 2.97Å; N74-Y79 WeakPolarHBondContact OD1-CD1 3.19Å; N74-Y79 WeakPolarHBondContact OD1-CE1 3.26Å
75Y91.9Very high91.2Very high193 Ų19373.5 Ų73.576%0.75735%0.349SS*.THydrogen-bonded Turntrans-64.8-20.2166.7-51.1-62.7000113.6K73K73-Y75 HydrophobicContact CB-CD2 3.72Å; K73-Y75 HydrophobicContact CB-CE2 4.27Å; K73-Y75 HydrophobicContact CD-CD2 4.06Å; K73-Y75 HydrophobicContact CD-CE2 4.01Å; K73-Y75 PolarHBondContact O-N 3.47Å
76C93.9Very high91Very high0 Ų071.5 Ų71.50%034%0.341CS..SBendtrans-93.2117.1174.6179.80000109.4C66 C71 K73 N74 C78 Y79 E80C66-C76 VanDerWaalsContact SG-CA 3.59Å; C66-C76 VanDerWaalsContact SG-CB 3.53Å; C66-C76 VanDerWaalsContact SG-SG 3.66Å; C71-C76 HydrophobicContact CB-CB 4.22Å; K73-C76 WeakPolarHBondContact O-CB 3.28Å; K73-C76 PolarHBondContact O-N 3.43Å; N74-C76 PolarHBondContact O-N 2.97Å; C76-C78 PolarHBondContact O-N 2.89Å; C76-Y79 WeakPolarHBondContact O-CB 3.32Å; C76-Y79 PolarHBondContact O-N 3.28Å; C76-E80 PolarHBondContact O-N 3.39Å
77E89.7Confident90.6Very high71 Ų7176.8 Ų76.833%0.33238%0.378SS..Hα-helixtrans-59.4-30179.2-56.2175.1147.900112.8W59 A81W59-E77 HydrophobicContact CH2-CB 3.38Å; W59-E77 VanDerWaalsContact CH2-CD 3.49Å; W59-E77 HydrophobicContact CH2-CG 3.91Å; W59-E77 WeakPolarHBondContact CH2-OE2 3.27Å; W59-E77 HydrophobicContact CZ2-CB 3.2Å; W59-E77 HydrophobicContact CZ2-CG 4.11Å; W59-E77 VanDerWaalsContact CZ2-OE2 3.25Å; W59-E77 WeakPolarHBondContact CZ2-OE2 3.43Å; E77-A81 VanDerWaalsContact O-CB 3.23Å; E77-A81 WeakPolarHBondContact O-CB 3.47Å; E77-A81 PolarHBondContact O-N 3.45Å; E77-A81 VanDerWaalsContact O-N 3.1Å
78C90.1Very high90.3Very high2 Ų271.3 Ų71.31%0.01436%0.36CS..Hα-helixtrans-66.8-45172.9-63.30000111.5C76 A81 N82 I83C76-C78 PolarHBondContact O-N 2.89Å; C78-A81 CarbonylContact O-C 3.52Å; C78-A81 PolarHBondContact O-N 2.91Å; C78-N82 PolarHBondContact O-N 2.94Å; C78-I83 CarbonylContact C-O 3.23Å; C78-I83 VanDerWaalsContact C-O 3.31Å; C78-I83 HydrophobicContact CB-CG1 4.19Å; C78-I83 VanDerWaalsContact O-CG1 3.24Å; C78-I83 WeakPolarHBondContact O-CG1 3.4Å; C78-I83 PolarHBondContact O-N 3.46Å
79Y90.5Very high90.3Very high60 Ų6060.6 Ų60.624%0.23532%0.322CS..Hα-helixtrans-66.8-45.5-179.3-176.4-94.9000111.7C71 L72 K73 N74 C76 A81 N82 I107C71-Y79 WeakPolarHBondContact O-CB 3.25Å; C71-Y79 VanDerWaalsContact O-CD2 3.3Å; C71-Y79 WeakPolarHBondContact O-CD2 3.23Å; L72-Y79 HydrophobicContact CB-CE2 4.44Å; L72-Y79 HydrophobicContact CD2-CD2 4.43Å; L72-Y79 HydrophobicContact CD2-CE2 4.33Å; K73-Y79 WeakPolarHBondContact O-CD1 3.38Å; N74-Y79 WeakPolarHBondContact OD1-CD1 3.19Å; N74-Y79 WeakPolarHBondContact OD1-CE1 3.26Å; C76-Y79 WeakPolarHBondContact O-CB 3.32Å; C76-Y79 PolarHBondContact O-N 3.28Å; Y79-A81 VanDerWaalsContact C-N 3.29Å; Y79-A81 PolarHBondContact O-N 3.49Å; Y79-N82 WeakPolarHBondContact O-CA 3.36Å; Y79-N82 PolarHBondContact O-N 3.36Å; Y79-I107 VanDerWaalsContact OH-CG2 3.26Å; Y79-I107 WeakPolarHBondContact OH-CG2 3.3Å
80E89.3Confident90.3Very high128 Ų12867.8 Ų67.860%0.59835%0.352SS*.Hα-helixtrans-58-41.7175.1-178-176.2-146.200111.6C76 N82C76-E80 PolarHBondContact O-N 3.39Å; E80-N82 PolarHBondContact O-N 2.95Å
81A83.7Confident90.4Very high53 Ų5368.2 Ų68.244%0.43835%0.352SS..THydrogen-bonded Turntrans-77.46.6175.600000114.1E77 C78 Y79 I83E77-A81 VanDerWaalsContact O-CB 3.23Å; E77-A81 WeakPolarHBondContact O-CB 3.47Å; E77-A81 PolarHBondContact O-N 3.45Å; E77-A81 VanDerWaalsContact O-N 3.1Å; C78-A81 CarbonylContact O-C 3.52Å; C78-A81 PolarHBondContact O-N 2.91Å; Y79-A81 VanDerWaalsContact C-N 3.29Å; Y79-A81 PolarHBondContact O-N 3.49Å; A81-I83 HydrophobicContact CB-CD1 4.18Å; A81-I83 HydrophobicContact CB-CG1 4Å; A81-I83 PolarHBondContact O-N 3.4Å
82N82.8Confident90.4Very high94 Ų9473.5 Ų73.550%0.50338%0.379SS..THydrogen-bonded Turntrans5237.1-177.8-164.420.6000114C78 Y79 E80 R104C78-N82 PolarHBondContact O-N 2.94Å; Y79-N82 WeakPolarHBondContact O-CA 3.36Å; Y79-N82 PolarHBondContact O-N 3.36Å; E80-N82 PolarHBondContact O-N 2.95Å; N82-R104 PolarHBondContact O-NH2 3.38Å; N82-R104 PolarHBondContact OD1-NH2 3.5Å
83I85.9Confident90.5Very high44 Ų4473.8 Ų73.823%0.22639%0.394CS..  trans-121.3156.1175.758.3174.5000110.4W59 C78 A81 N96W59-I83 HydrophobicContact CB-CD1 4.49Å; W59-I83 HydrophobicContact CG-CD1 3.82Å; C78-I83 CarbonylContact C-O 3.23Å; C78-I83 VanDerWaalsContact C-O 3.31Å; C78-I83 HydrophobicContact CB-CG1 4.19Å; C78-I83 VanDerWaalsContact O-CG1 3.24Å; C78-I83 WeakPolarHBondContact O-CG1 3.4Å; C78-I83 PolarHBondContact O-N 3.46Å; A81-I83 HydrophobicContact CB-CD1 4.18Å; A81-I83 HydrophobicContact CB-CG1 4Å; A81-I83 PolarHBondContact O-N 3.4Å; I83-N96 PolarHBondContact O-ND2 3.38Å
84Q89.1Confident90.8Very high55 Ų5569.2 Ų69.226%0.25738%0.377SS..  trans-78.8151178.6-72.6156.5-16.500110.9T86Q84-T86 PolarHBondContact O-N 3.4Å
85C91.9Very high90.9Very high7 Ų768.6 Ų68.65%0.04737%0.373CS..  trans-66.9130168.4-69.40000109.6C64 C89 C94 N96C64-C85 VanDerWaalsContact SG-SG 3.68Å; C85-C89 HydrophobicContact CB-CB 4.19Å; C85-C94 VanDerWaalsContact CB-SG 3.55Å; C85-N96 PolarHBondContact N-O 3.17Å
86T89.6Confident90.9Very high59 Ų5960.4 Ų60.436%0.36234%0.342SS..  trans-101.2177.4177.263.80000111Q84 S88 C89Q84-T86 PolarHBondContact O-N 3.4Å; T86-S88 PolarHBondContact O-N 3.1Å; T86-S88 VanDerWaalsContact O-N 3.11Å; T86-S88 PolarHBondContact OG1-N 2.93Å; T86-C89 WeakPolarHBondContact O-CB 3.34Å; T86-C89 PolarHBondContact O-N 2.98Å
87S89.5Confident90.5Very high127 Ų12764.5 Ų64.589%0.88836%0.362SS*.THydrogen-bonded Turntrans-58-19.4172.651.50000114.1C89S87-C89 PolarHBondContact O-N 3.19Å
88S89.9Confident89.4Confident45 Ų4565.6 Ų65.632%0.31537%0.373SS..THydrogen-bonded Turntrans-71.1-14.7173.3-490000113.3N60 T86N60-S88 WeakPolarHBondContact O-CB 3.3Å; N60-S88 PolarHBondContact O-OG 3.24Å; T86-S88 PolarHBondContact O-N 3.1Å; T86-S88 VanDerWaalsContact O-N 3.11Å; T86-S88 PolarHBondContact OG1-N 2.93Å
89C93.8Very high87.7Confident20 Ų2073.6 Ų73.614%0.13542%0.416CS..  trans-81.9137.5-178.6-59.30000111.6C64 C85 T86 S87C64-C89 PolarHBondContact N-SG 3.4Å; C85-C89 HydrophobicContact CB-CB 4.19Å; T86-C89 WeakPolarHBondContact O-CB 3.34Å; T86-C89 PolarHBondContact O-N 2.98Å; S87-C89 PolarHBondContact O-N 3.19Å
90K95.3Very high85.9Confident165 Ų16573.2 Ų73.272%0.71742%0.418SS*.  trans-10629.5176.3-57.1-179.4-178.8-179.60111.8C64 N65C64-K90 PolarHBondContact O-N 2.97Å; N65-K90 WeakPolarHBondContact OD1-CB 3.43Å
91C95.6Very high83.9Confident26 Ų2670.8 Ų70.818%0.17642%0.415CS..  trans-72.8146.8178.945.40000112C66 C71 C94C66-C91 HydrophobicContact CB-CB 4.06Å; C66-C91 CarbonylContact O-C 3.46Å; C66-C91 WeakPolarHBondContact O-CA 3.42Å; C66-C91 WeakPolarHBondContact O-CB 3.25Å; C71-C91 VanDerWaalsContact SG-CB 3.57Å; C91-C94 HydrophobicContact CB-CB 4.35Å; C91-C94 VanDerWaalsContact SG-CB 3.52Å
92I95.5Very high82.1Confident111 Ų11176.9 Ų76.957%0.56943%0.434SS*.SBendtrans-104.5130.8176.5-56.3175.3000108.3C66 K67C66-I92 PolarHBondContact O-N 3.35Å; K67-I92 HydrophobicContact CG-CD1 4.26Å
93G94.1Very high80.6Confident57 Ų5775 Ų7559%0.58843%0.425SS*.SBendtrans66.841.6-179.700000113.5G70G70-G93 WeakPolarHBondContact CA-O 3.48Å
94C94.8Very high78.9Confident22 Ų2278.5 Ų78.515%0.14944%0.435CS..  trans-71.4128.3-176.9-177.90000112.3C85 C91 N96 H97C85-C94 VanDerWaalsContact CB-SG 3.55Å; C91-C94 HydrophobicContact CB-CB 4.35Å; C91-C94 VanDerWaalsContact SG-CB 3.52Å; C94-N96 PolarHBondContact SG-N 3.23Å; C94-N96 VanDerWaalsContact SG-N 3.45Å; C94-H97 WeakPolarHBondContact CB-NE2 3.42Å; C94-H97 PolarHBondContact O-CD2 2.98Å; C94-H97 PolarHBondContact SG-NE2 2.69Å
95L92.6Very high76.9Confident102 Ų10280.6 Ų80.653%0.53445%0.452SS..  trans-112.44.9174.9-55.1176.8000112.3G70 L72 H97G70-L95 WeakPolarHBondContact O-CA 3.16Å; G70-L95 WeakPolarHBondContact O-CB 3.42Å; G70-L95 PolarHBondContact O-N 2.96Å; L72-L95 HydrophobicContact CD1-CB 3.65Å; L72-L95 HydrophobicContact CD1-CD1 3.99Å; L72-L95 HydrophobicContact CD1-CG 4.47Å; L72-L95 HydrophobicContact CD2-CB 4.45Å; L72-L95 HydrophobicContact CG-CB 3.93Å; L95-H97 PolarHBondContact O-N 3.29Å
96N91.1Very high74.9Confident20 Ų2084.5 Ų84.511%0.10747%0.472CS..  trans-96.961.8179.7-172.723.5000112.3C71 L72 I83 C85 C94C71-N96 HydrophobicContact CB-CB 3.46Å; C71-N96 VanDerWaalsContact CB-CB 3.46Å; C71-N96 VanDerWaalsContact O-CB 3.25Å; C71-N96 WeakPolarHBondContact O-CB 3.36Å; L72-N96 HydrophobicContact CD2-CB 4.36Å; I83-N96 PolarHBondContact O-ND2 3.38Å; C85-N96 PolarHBondContact N-O 3.17Å; C94-N96 PolarHBondContact SG-N 3.23Å; C94-N96 VanDerWaalsContact SG-N 3.45Å
97H85.4Confident73.1Confident87 Ų8784.2 Ų84.240%0.40347%0.467SS..SBendtrans-117.5165.5178.4-64-64.7000112.1C94 L95 N99 N100C94-H97 WeakPolarHBondContact CB-NE2 3.42Å; C94-H97 PolarHBondContact O-CD2 2.98Å; C94-H97 PolarHBondContact SG-NE2 2.69Å; L95-H97 PolarHBondContact O-N 3.29Å; H97-N99 PolarHBondContact O-N 3.21Å; H97-N99 VanDerWaalsContact O-N 3.15Å; H97-N100 PolarHBondContact O-N 3.15Å
98T66.3Low71.2Confident93 Ų9384.4 Ų84.457%0.57146%0.455SS*.G310 helixtrans-51.6-32.2-178.634.50000115.5N100 S101T98-N100 PolarHBondContact O-N 2.96Å; T98-N100 VanDerWaalsContact O-N 3.1Å; T98-S101 PolarHBondContact O-OG 3.1Å
99N54.8Low69.3Low170 Ų17087 Ų8791%0.90947%0.465SS*.G310 helixtrans-74.53.4-177.3-104.8-6.1000114.8H97H97-N99 PolarHBondContact O-N 3.21Å; H97-N99 VanDerWaalsContact O-N 3.15Å
100N53.3Low67Low52 Ų5289.7 Ų89.728%0.27848%0.478SS..G310 helixtrans-108.427.3-179.8-146.45.2000113.5H97 T98 Q102 N103H97-N100 PolarHBondContact O-N 3.15Å; T98-N100 PolarHBondContact O-N 2.96Å; T98-N100 VanDerWaalsContact O-N 3.1Å; N100-Q102 PolarHBondContact O-N 3.48Å; N100-Q102 VanDerWaalsContact O-N 3.12Å; N100-N103 PolarHBondContact ND2-ND2 3.44Å; N100-N103 PolarHBondContact O-N 2.91Å; N100-N103 WeakPolarHBondContact OD1-CB 3.44Å; N100-N103 PolarHBondContact OD1-ND2 3.12Å
101S46.3Very low64.6Low78 Ų7884.4 Ų84.455%0.54547%0.47SS..THydrogen-bonded Turntrans-55.2-27179.6-47.70000113.9T98 N103T98-S101 PolarHBondContact O-OG 3.1Å; S101-N103 VanDerWaalsContact C-N 3.29Å; S101-N103 PolarHBondContact O-N 3.42Å
102Q47.4Very low62.1Low181 Ų18192.3 Ų92.385%0.84650%0.502SS*.THydrogen-bonded Turntrans-75-16.8177.5-68.1-176.5-19.100113.3N100N100-Q102 PolarHBondContact O-N 3.48Å; N100-Q102 VanDerWaalsContact O-N 3.12Å
103N50Low59.5Low55 Ų5593.6 Ų93.629%0.29451%0.509SS..Hα-helixtrans-91.2-5.9177.8-89.5-38.5000114N100 S101 I107N100-N103 PolarHBondContact ND2-ND2 3.44Å; N100-N103 PolarHBondContact O-N 2.91Å; N100-N103 WeakPolarHBondContact OD1-CB 3.44Å; N100-N103 PolarHBondContact OD1-ND2 3.12Å; S101-N103 VanDerWaalsContact C-N 3.29Å; S101-N103 PolarHBondContact O-N 3.42Å; N103-I107 HydrophobicContact CB-CD1 4.04Å; N103-I107 HydrophobicContact CB-CG1 4.3Å; N103-I107 VanDerWaalsContact O-CB 3.23Å; N103-I107 WeakPolarHBondContact O-CB 3.23Å; N103-I107 WeakPolarHBondContact O-CG1 3.39Å; N103-I107 PolarHBondContact O-N 3.08Å
104R50.3Low56.8Low116 Ų11698.8 Ų98.844%0.43852%0.518SS..Hα-helixtrans-67.2-41.8177.5-85.8-176.2144.7171-7.4112.4N82 M108N82-R104 PolarHBondContact O-NH2 3.38Å; N82-R104 PolarHBondContact OD1-NH2 3.5Å; R104-M108 WeakPolarHBondContact O-CG 3.24Å; R104-M108 PolarHBondContact O-N 3.22Å
105T46.7Very low54.1Low100 Ų100107.7 Ų107.761%0.61355%0.55SS**Hα-helixtrans-74.5-42.1176.6-46.40000111.2I107 M108 I109T105-I107 PolarHBondContact O-N 3.01Å; T105-M108 PolarHBondContact O-N 3.21Å; T105-I109 HydrophobicContact CG2-CD1 4.06Å; T105-I109 VanDerWaalsContact O-CG1 3.3Å; T105-I109 WeakPolarHBondContact O-CG1 3.46Å; T105-I109 PolarHBondContact O-N 2.96Å; T105-I109 VanDerWaalsContact O-N 3.08Å
106L49.7Very low51.2Low89 Ų89110.2 Ų110.247%0.46656%0.564SS.*Hα-helixtrans-68.5-35.8-177.6-16864.6000113.1N110L106-N110 WeakPolarHBondContact O-CB 3.11Å; L106-N110 VanDerWaalsContact O-CG 3.29Å; L106-N110 PolarHBondContact O-N 2.76Å; L106-N110 PolarHBondContact O-ND2 3.36Å
107I53.8Low48.5Very low53 Ų53116.8 Ų116.827%0.27260%0.599SS.*Hα-helixtrans-77.8-31.6178.1-63.9-179000111.8Y79 N103 T105 N110 G111Y79-I107 VanDerWaalsContact OH-CG2 3.26Å; Y79-I107 WeakPolarHBondContact OH-CG2 3.3Å; N103-I107 HydrophobicContact CB-CD1 4.04Å; N103-I107 HydrophobicContact CB-CG1 4.3Å; N103-I107 VanDerWaalsContact O-CB 3.23Å; N103-I107 WeakPolarHBondContact O-CB 3.23Å; N103-I107 WeakPolarHBondContact O-CG1 3.39Å; N103-I107 PolarHBondContact O-N 3.08Å; T105-I107 PolarHBondContact O-N 3.01Å; I107-N110 PolarHBondContact O-N 2.76Å; I107-G111 PolarHBondContact O-N 2.93Å
108M47.8Very low46.2Very low130 Ų130116.5 Ų116.564%0.6462%0.62SS**Hα-helixtrans-66.2-38.9170.3-77-154.4-163.900112.3R104 T105 G111R104-M108 WeakPolarHBondContact O-CG 3.24Å; R104-M108 PolarHBondContact O-N 3.22Å; T105-M108 PolarHBondContact O-N 3.21Å; M108-G111 PolarHBondContact O-N 2.93Å
109I50Low44.6Very low99 Ų99119.8 Ų119.851%0.50863%0.634SS.*Hα-helixtrans-65.9-44.7174.4-67.3167.7000110.6T105 G111 F112T105-I109 HydrophobicContact CG2-CD1 4.06Å; T105-I109 VanDerWaalsContact O-CG1 3.3Å; T105-I109 WeakPolarHBondContact O-CG1 3.46Å; T105-I109 PolarHBondContact O-N 2.96Å; T105-I109 VanDerWaalsContact O-N 3.08Å; I109-G111 VanDerWaalsContact C-N 3.31Å; I109-G111 PolarHBondContact O-N 3.26Å; I109-F112 PolarHBondContact O-N 3.24Å
110N47.2Very low43.6Very low78 Ų78119.8 Ų119.842%0.41763%0.63SS.*Hα-helixtrans-69.3-25178.2-75.3-17.5000113.7L106 I107 L113L106-N110 WeakPolarHBondContact O-CB 3.11Å; L106-N110 VanDerWaalsContact O-CG 3.29Å; L106-N110 PolarHBondContact O-N 2.76Å; L106-N110 PolarHBondContact O-ND2 3.36Å; I107-N110 PolarHBondContact O-N 2.76Å; N110-L113 PolarHBondContact O-N 2.89Å
111G43.2Very low42.4Very low53 Ų53124.7 Ų124.755%0.54665%0.651SS.*Hα-helixtrans-70-30175.800000113.8I107 M108 I109 L113I107-G111 PolarHBondContact O-N 2.93Å; M108-G111 PolarHBondContact O-N 2.93Å; I109-G111 VanDerWaalsContact C-N 3.31Å; I109-G111 PolarHBondContact O-N 3.26Å; G111-L113 VanDerWaalsContact C-N 3.28Å; G111-L113 PolarHBondContact O-N 3.21Å
112F43.4Very low41.8Very low193 Ų193126.5 Ų126.585%0.84665%0.654SS**Hα-helixtrans-72.8-19.6172.2-101.1-87.8000113.1I109I109-F112 PolarHBondContact O-N 3.24Å
113L40.5Very low40.9Very low138 Ų138125.4 Ų125.472%0.72365%0.651SS**THydrogen-bonded Turntrans-940.8-177.9-68.6174.5000114.6N110 G111N110-L113 PolarHBondContact O-N 2.89Å; G111-L113 VanDerWaalsContact C-N 3.28Å; G111-L113 PolarHBondContact O-N 3.21Å
114Q38Very low40Very low166 Ų166126.5 Ų126.578%0.77666%0.663SS**SBendtrans-11430.3-177.3-70.6-166.22.200115
115Y38.6Very low39Very low209 Ų209132.5 Ų132.582%0.8269%0.685SS**  trans-145.780.9165.5-135.4-93.1000111.5
116N31.9Very low38.4Very low155 Ų155133.6 Ų133.683%0.82969%0.687SS**SBendtrans-156.5124.5147.2-96.1-35.5000110.3
117N35Very low38Very low157 Ų157135 Ų13584%0.8470%0.699SS**  trans7.6104.6162.5-80.8-16.7000117.9N119N117-N119 VanDerWaalsContact C-N 3.31Å; N117-N119 PolarHBondContact O-N 3.16Å
118G36.6Very low37.1Very low81 Ų81136.6 Ų136.684%0.83572%0.715SS**SBend56.325.8117.300000119.7
119N31.5Very low36.5Very low162 Ų162135.8 Ų135.887%0.86672%0.722SS**  trans-155.6115.3162.6-111-10.1000111.2N117 H121N117-N119 VanDerWaalsContact C-N 3.31Å; N117-N119 PolarHBondContact O-N 3.16Å; N119-H121 PolarHBondContact O-N 2.74Å
120M33.8Very low36.1Very low170 Ų170137.5 Ų137.584%0.83773%0.731SS**  trans-82.299.2177-167.717984.400108.7I122M120-I122 HydrophobicContact CE-CD1 4.29Å
121H29.6Very low35.8Very low155 Ų155141.5 Ų141.572%0.71875%0.752SS**  trans-106.2102.6161.1-159.9-84.9000108.4N119 M123N119-H121 PolarHBondContact O-N 2.74Å; H121-M123 PolarHBondContact O-N 2.99Å; H121-M123 VanDerWaalsContact O-N 3.11Å
122I33.7Very low35.4Very low117 Ų117147.7 Ų147.760%0.677%0.767SS**  trans-62.7108.3166.4-82.4169.7000106.8M120 S124M120-I122 HydrophobicContact CE-CD1 4.29Å; I122-S124 VanDerWaalsContact C-N 3.29Å; I122-S124 PolarHBondContact O-N 2.94Å
123M27.8Very low35.1Very low158 Ų158142.4 Ų142.478%0.77875%0.754SS**  trans-74.997.2151.8-79.3-79.7155.200105.3H121 W125H121-M123 PolarHBondContact O-N 2.99Å; H121-M123 VanDerWaalsContact O-N 3.11Å; M123-W125 PolarHBondContact O-N 3.32Å
124S31.6Very low35.1Very low78 Ų78145.3 Ų145.355%0.54576%0.764SS.*  trans-61.2105.1173-174.50000108I122I122-S124 VanDerWaalsContact C-N 3.29Å; I122-S124 PolarHBondContact O-N 2.94Å
125W29.2Very low34.8Very low241 Ų241142.8 Ų142.891%0.91377%0.765SS**  trans-90108.8146.3-82.81.8000106M123 V127M123-W125 PolarHBondContact O-N 3.32Å; W125-V127 PolarHBondContact O-N 2.9Å
126D33.1Very low34.6Very low123 Ų123136.3 Ų136.366%0.65875%0.75SS**  trans-51.1106.5-171.4-119-58.2000111.8S128D126-S128 WeakPolarHBondContact CB-OG 3.23Å; D126-S128 PolarHBondContact O-N 3.24Å; D126-S128 PolarHBondContact OD1-OG 2.99Å
127V42.7Very low34.9Very low119 Ų119137.4 Ų137.472%0.72175%0.754SS**THydrogen-bonded Turntrans-8251.91701760000108.8W125 I130W125-V127 PolarHBondContact O-N 2.9Å; V127-I130 HydrophobicContact CG1-CD1 4.24Å
128S33.6Very low35.2Very low86 Ų86138.7 Ų138.760%0.60176%0.755SS**THydrogen-bonded Turntrans-107.3-1.3178.239.40000113.3D126D126-S128 WeakPolarHBondContact CB-OG 3.23Å; D126-S128 PolarHBondContact O-N 3.24Å; D126-S128 PolarHBondContact OD1-OG 2.99Å
129S34.9Very low35.2Very low113 Ų113144 Ų14479%0.7976%0.756SS**SBendtrans-109.23.3-179.7-58.80000115.9
130I43.3Very low35.3Very low136 Ų136142.3 Ų142.370%0.69776%0.755SS**SBendtrans-90.2-8.8-172.1-62.6-179.3000113.7V127V127-I130 HydrophobicContact CG1-CD1 4.24Å
131N39Very low35.7Very low161 Ų161138.9 Ų138.986%0.86175%0.748SS**SBendtrans-110.121.4-168.6-89.1-17.2000117.5
132Q36Very low36.6Very low183 Ų183139.5 Ų139.586%0.85575%0.751SS**SBendtrans-13874.6169.6-78.6-175.85.400112.5
133S36.1Very low37.5Very low82 Ų82140.6 Ų140.657%0.57376%0.757SS**  trans-179.172.1147.625.90000111.2S135S133-S135 PolarHBondContact O-N 3.38Å
134H40.6Very low38.9Very low200 Ų200137.5 Ų137.593%0.92675%0.747SS**THydrogen-bonded Turntrans-73.528.5165.7-134.4-82.9000112.5
135S31.9Very low40.6Very low113 Ų113139.1 Ų139.179%0.7975%0.749SS**THydrogen-bonded Turntrans-13514.6-175.767.40000114.5S133S133-S135 PolarHBondContact O-N 3.38Å
136S34Very low43Very low73 Ų73130.2 Ų130.251%0.5172%0.721SS.*  trans-13955.6179.644.40000112.5Q138S136-Q138 PolarHBondContact O-N 3.05Å
137L38.3Very low44.8Very low177 Ų177128.4 Ų128.493%0.92772%0.718SS**THydrogen-bonded Turntrans-69.331.7165.9-102.3155.8000113.2
138Q42.5Very low46.2Very low184 Ų184129.5 Ų129.586%0.8672%0.715SS**THydrogen-bonded Turntrans-133.39.2-170.4-125.7173.8-3.100115.2S136S136-Q138 PolarHBondContact O-N 3.05Å
139K36.8Very low48.3Very low194 Ų194129.4 Ų129.484%0.84370%0.702SS**  trans-150.850-177.7-125.1177.1-173.2-1780115.4
140C33.5Very low50.5Low126 Ų126127.3 Ų127.385%0.85168%0.684SS**  trans-129.575.4157.8-161.50000108.7
141S41Very low52.2Low97 Ų97126.8 Ų126.868%0.67868%0.679SS**  trans-11812.2-177.151.40000113.4
142Q48.5Very low54.2Low169 Ų169123 Ų12379%0.7966%0.661SS**SBendtrans-115.8-4-170.2-86.8-178-30.300117.3
143L53.2Low56.7Low139 Ų139115.5 Ų115.573%0.72863%0.628SS**SBendtrans-110.430.8177.3-98.1146.1000113.5
144V57.1Low59.2Low94 Ų94114.6 Ų114.657%0.5762%0.621SS**  trans-101.4113.1173.7-177.90000108.5T146V144-T146 HydrophobicContact CG1-CG2 4.15Å; V144-T146 PolarHBondContact O-N 3.02Å
145L68.3Low61.3Low112 Ų112106.6 Ų106.659%0.58659%0.593SS**  trans-62.399.7160.8-87.3157.5000107.6V150 I189L145-V150 HydrophobicContact CD2-CG2 4.29Å; L145-I189 HydrophobicContact CD2-CD1 3.83Å
146T78.1Confident63.9Low54 Ų54103.4 Ų103.433%0.33157%0.57SS.*  trans-83.1154.6177.264.50000110.3V144 E148 R149 V150V144-T146 HydrophobicContact CG1-CG2 4.15Å; V144-T146 PolarHBondContact O-N 3.02Å; T146-E148 PolarHBondContact O-N 3.49Å; T146-R149 PolarHBondContact O-N 3.17Å; T146-R149 VanDerWaalsContact O-N 3.09Å; T146-R149 WeakPolarHBondContact OG1-CG 3.33Å; T146-R149 PolarHBondContact OG1-N 3.48Å; T146-R149 VanDerWaalsContact OG1-N 3.17Å; T146-V150 WeakPolarHBondContact O-CG2 3.23Å; T146-V150 PolarHBondContact O-N 3.25Å
147S71.2Confident66.7Low84 Ų84101.5 Ų101.559%0.58755%0.554SS**Hα-helixtrans-52.9-40.7173.4-1610000111.2R149 V150 E151S147-R149 PolarHBondContact O-N 3.09Å; S147-V150 PolarHBondContact O-N 3.03Å; S147-E151 WeakPolarHBondContact O-CB 3.5Å; S147-E151 VanDerWaalsContact O-CG 3.27Å; S147-E151 WeakPolarHBondContact O-CG 3.49Å; S147-E151 PolarHBondContact O-N 3.01Å; S147-E151 PolarHBondContact OG-OE1 3.2Å
148E72.4Confident69.2Low143 Ų14398 Ų9867%0.66854%0.536SS*.Hα-helixtrans-62.6-41.4178-173178.8-170.100112.9T146 T152T146-E148 PolarHBondContact O-N 3.49Å; E148-T152 WeakPolarHBondContact O-CB 3.48Å; E148-T152 PolarHBondContact O-N 2.84Å; E148-T152 PolarHBondContact O-OG1 2.66Å
149R77.3Confident71.4Confident84 Ų8492.5 Ų92.532%0.31752%0.515SS..Hα-helixtrans-66.5-41.8175.1-73.8-179.781.9-178.97.6111T146 S147 T152 V153 E188T146-R149 PolarHBondContact O-N 3.17Å; T146-R149 VanDerWaalsContact O-N 3.09Å; T146-R149 WeakPolarHBondContact OG1-CG 3.33Å; T146-R149 PolarHBondContact OG1-N 3.48Å; T146-R149 VanDerWaalsContact OG1-N 3.17Å; S147-R149 PolarHBondContact O-N 3.09Å; R149-T152 PolarHBondContact O-N 3.24Å; R149-V153 VanDerWaalsContact O-CG2 3.23Å; R149-V153 WeakPolarHBondContact O-CG2 3.46Å; R149-V153 PolarHBondContact O-N 2.98Å; R149-E188 PolarHBondContact NH2-O 3.36Å
150V81.3Confident73.9Confident69 Ų6986.4 Ų86.442%0.41849%0.488SS..Hα-helixtrans-63.1-46.8177174.60000110.9L145 T146 S147 T152 V153 C154L145-V150 HydrophobicContact CD2-CG2 4.29Å; T146-V150 WeakPolarHBondContact O-CG2 3.23Å; T146-V150 PolarHBondContact O-N 3.25Å; S147-V150 PolarHBondContact O-N 3.03Å; V150-T152 VanDerWaalsContact C-N 3.31Å; V150-T152 PolarHBondContact O-N 2.81Å; V150-V153 PolarHBondContact O-N 3.31Å; V150-C154 WeakPolarHBondContact O-CB 3.4Å; V150-C154 PolarHBondContact O-N 3.29Å; V150-C154 PolarHBondContact O-SG 3.45Å
151E78.8Confident76.6Confident124 Ų12482 Ų8258%0.57946%0.461SS*.Hα-helixtrans-61.2-40.3178.3-75165.9-145.100111.8S147 C154 G155S147-E151 WeakPolarHBondContact O-CB 3.5Å; S147-E151 VanDerWaalsContact O-CG 3.27Å; S147-E151 WeakPolarHBondContact O-CG 3.49Å; S147-E151 PolarHBondContact O-N 3.01Å; S147-E151 PolarHBondContact OG-OE1 3.2Å; E151-C154 PolarHBondContact O-N 3.4Å; E151-G155 PolarHBondContact O-N 3Å
152T82Confident78.8Confident81 Ų8185 Ų8550%0.49746%0.457SS..Hα-helixtrans-62.8-49.8175.6-57.40000111.4E148 R149 V150 C154 G155 C156E148-T152 WeakPolarHBondContact O-CB 3.48Å; E148-T152 PolarHBondContact O-N 2.84Å; E148-T152 PolarHBondContact O-OG1 2.66Å; R149-T152 PolarHBondContact O-N 3.24Å; V150-T152 VanDerWaalsContact C-N 3.31Å; V150-T152 PolarHBondContact O-N 2.81Å; T152-C154 PolarHBondContact O-N 3Å; T152-G155 PolarHBondContact O-N 3.45Å; T152-G155 VanDerWaalsContact O-N 3.15Å; T152-C156 PolarHBondContact O-N 3.36Å
153V88.5Confident80.8Confident26 Ų2680.6 Ų80.616%0.15844%0.437CS..Hα-helixtrans-59.8-47177.41760000110.3R149 V150 G155 C156 L157 F182 H185R149-V153 VanDerWaalsContact O-CG2 3.23Å; R149-V153 WeakPolarHBondContact O-CG2 3.46Å; R149-V153 PolarHBondContact O-N 2.98Å; V150-V153 PolarHBondContact O-N 3.31Å; V153-G155 VanDerWaalsContact C-N 3.3Å; V153-G155 PolarHBondContact O-N 3.08Å; V153-C156 PolarHBondContact O-N 3.34Å; V153-L157 HydrophobicContact CG1-CD1 4.08Å; V153-L157 HydrophobicContact CG1-CG 4.34Å; V153-L157 VanDerWaalsContact O-CG 3.28Å; V153-L157 WeakPolarHBondContact O-CG 3.27Å; V153-L157 PolarHBondContact O-N 3.24Å; V153-F182 HydrophobicContact CG1-CD2 4.3Å; V153-H185 HydrophobicContact CG1-CB 4.07Å; V153-H185 HydrophobicContact CG2-CB 3.95Å
154C87.9Confident82.5Confident63 Ų6374.1 Ų74.143%0.42640%0.403SS..Hα-helixtrans-57.2-42175.6-75.30000112.2V150 E151 T152 L157 L158V150-C154 WeakPolarHBondContact O-CB 3.4Å; V150-C154 PolarHBondContact O-N 3.29Å; V150-C154 PolarHBondContact O-SG 3.45Å; E151-C154 PolarHBondContact O-N 3.4Å; T152-C154 PolarHBondContact O-N 3Å; C154-L157 PolarHBondContact O-N 3.32Å; C154-L158 WeakPolarHBondContact O-CB 3.49Å; C154-L158 VanDerWaalsContact O-CG 3.28Å; C154-L158 WeakPolarHBondContact O-CG 3.3Å; C154-L158 PolarHBondContact O-N 3.45Å
155G85.4Confident84Confident33 Ų3376.5 Ų76.534%0.3441%0.408SS..Hα-helixtrans-62.7-43.6176.200000113.2E151 T152 V153 L158 T159E151-G155 PolarHBondContact O-N 3Å; T152-G155 PolarHBondContact O-N 3.45Å; T152-G155 VanDerWaalsContact O-N 3.15Å; V153-G155 VanDerWaalsContact C-N 3.3Å; V153-G155 PolarHBondContact O-N 3.08Å; G155-L158 PolarHBondContact O-N 3.24Å; G155-T159 WeakPolarHBondContact O-CB 3.4Å; G155-T159 PolarHBondContact O-N 3.49Å; G155-T159 PolarHBondContact O-OG1 3.46Å
156C86.8Confident84.9Confident45 Ų4579.2 Ų79.230%0.30442%0.42SS..Hα-helixtrans-64-44.7176.1-69.80000111.6T152 V153 L158 T159 K160T152-C156 PolarHBondContact O-N 3.36Å; V153-C156 PolarHBondContact O-N 3.34Å; C156-L158 PolarHBondContact O-N 3.44Å; C156-T159 WeakPolarHBondContact O-CB 3.28Å; C156-T159 PolarHBondContact O-N 2.74Å; C156-K160 WeakPolarHBondContact O-CG 3.46Å; C156-K160 PolarHBondContact O-N 3.3Å
157L91Very high85.6Confident33 Ų3382.4 Ų82.417%0.17343%0.431CS..Hα-helixtrans-62.7-41.7178.2-64.7176.7000112.5V153 C154 T159 K160 A161 V178 E181 F182V153-L157 HydrophobicContact CG1-CD1 4.08Å; V153-L157 HydrophobicContact CG1-CG 4.34Å; V153-L157 VanDerWaalsContact O-CG 3.28Å; V153-L157 WeakPolarHBondContact O-CG 3.27Å; V153-L157 PolarHBondContact O-N 3.24Å; C154-L157 PolarHBondContact O-N 3.32Å; L157-T159 VanDerWaalsContact C-N 3.33Å; L157-K160 PolarHBondContact O-N 2.79Å; L157-A161 PolarHBondContact O-N 2.97Å; L157-V178 HydrophobicContact CB-CG1 4.49Å; L157-V178 HydrophobicContact CD2-CG1 4.14Å; L157-V178 WeakPolarHBondContact CD2-O 3.38Å; L157-E181 HydrophobicContact CD2-CB 3.91Å; L157-E181 HydrophobicContact CD2-CG 4.01Å; L157-F182 HydrophobicContact CD1-CB 4.39Å; L157-F182 HydrophobicContact CD1-CD2 3.9Å; L157-F182 HydrophobicContact CD1-CG 4.48Å; L157-F182 HydrophobicContact CD2-CB 3.81Å
158L90.7Very high86.5Confident105 Ų10585.7 Ų85.755%0.5544%0.442SS..Hα-helixtrans-65.7-37.5176.2-74.3170.9000112C154 G155 C156 A161 R162C154-L158 WeakPolarHBondContact O-CB 3.49Å; C154-L158 VanDerWaalsContact O-CG 3.28Å; C154-L158 WeakPolarHBondContact O-CG 3.3Å; C154-L158 PolarHBondContact O-N 3.45Å; G155-L158 PolarHBondContact O-N 3.24Å; C156-L158 PolarHBondContact O-N 3.44Å; L158-A161 PolarHBondContact O-N 3.49Å; L158-R162 WeakPolarHBondContact O-CG 3.28Å; L158-R162 PolarHBondContact O-N 3.25Å; L158-R162 VanDerWaalsContact O-N 3.09Å
159T90.3Very high87.3Confident67 Ų6783 Ų8341%0.41143%0.428SS..Hα-helixtrans-63.8-45.9174.5-57.10000110.6G155 C156 L157 A161 R162 E163G155-T159 WeakPolarHBondContact O-CB 3.4Å; G155-T159 PolarHBondContact O-N 3.49Å; G155-T159 PolarHBondContact O-OG1 3.46Å; C156-T159 WeakPolarHBondContact O-CB 3.28Å; C156-T159 PolarHBondContact O-N 2.74Å; L157-T159 VanDerWaalsContact C-N 3.33Å; T159-A161 VanDerWaalsContact C-N 3.33Å; T159-A161 PolarHBondContact O-N 2.97Å; T159-R162 PolarHBondContact O-N 3.42Å; T159-R162 VanDerWaalsContact O-N 3.17Å; T159-E163 HydrophobicContact CG2-CG 4.47Å; T159-E163 WeakPolarHBondContact O-CG 3.33Å; T159-E163 PolarHBondContact O-N 2.87Å
160K89.3Confident88Confident67 Ų6782 Ų8229%0.29143%0.434SS..Hα-helixtrans-62.2-37.7176.9-73-72163.5-1470113.4C156 L157 E163 A164 V178 E181C156-K160 WeakPolarHBondContact O-CG 3.46Å; C156-K160 PolarHBondContact O-N 3.3Å; L157-K160 PolarHBondContact O-N 2.79Å; K160-E163 WeakPolarHBondContact CD-OE2 3.37Å; K160-E163 IonicContact NZ-OE2 3.49Å; K160-E163 PolarHBondContact NZ-OE2 2.88Å; K160-A164 PolarHBondContact O-N 3.45Å; K160-A164 VanDerWaalsContact O-N 3.1Å; K160-V178 HydrophobicContact CB-CG2 4.46Å; K160-E181 WeakPolarHBondContact CE-OE2 3.39Å; K160-E181 HydrophobicContact CG-CB 4.2Å; K160-E181 HydrophobicContact CG-CG 3.84Å
161A88.6Confident88.2Confident33 Ų3385.4 Ų85.427%0.27345%0.445SS..Hα-helixtrans-63.5-44.3174.200000111.6L157 L158 T159 A164 E165 V178L157-A161 PolarHBondContact O-N 2.97Å; L158-A161 PolarHBondContact O-N 3.49Å; T159-A161 VanDerWaalsContact C-N 3.33Å; T159-A161 PolarHBondContact O-N 2.97Å; A161-A164 PolarHBondContact O-N 3.31Å; A161-E165 WeakPolarHBondContact O-CG 3.44Å; A161-E165 PolarHBondContact O-N 3.22Å; A161-E165 VanDerWaalsContact O-N 3.1Å; A161-V178 HydrophobicContact CB-CG2 4.07Å
162R88.2Confident88.5Confident159 Ų15983.5 Ų83.560%0.644%0.442SS*.Hα-helixtrans-66.9-39.4177.6-72174.8-179.4167.41.3113.1L158 T159 A164 E165 M166L158-R162 WeakPolarHBondContact O-CG 3.28Å; L158-R162 PolarHBondContact O-N 3.25Å; L158-R162 VanDerWaalsContact O-N 3.09Å; T159-R162 PolarHBondContact O-N 3.42Å; T159-R162 VanDerWaalsContact O-N 3.17Å; R162-A164 VanDerWaalsContact C-N 3.31Å; R162-A164 PolarHBondContact O-N 3.03Å; R162-E165 WeakPolarHBondContact O-CB 3.48Å; R162-E165 PolarHBondContact O-N 2.97Å; R162-M166 WeakPolarHBondContact O-CG 3.42Å; R162-M166 PolarHBondContact O-N 3.35Å
163E90.1Very high88.5Confident77 Ų7784.6 Ų84.636%0.3644%0.443SS..Hα-helixtrans-59.9-43.6174.1-74.2173.6174.700110.8T159 K160 E165 M166 E167T159-E163 HydrophobicContact CG2-CG 4.47Å; T159-E163 WeakPolarHBondContact O-CG 3.33Å; T159-E163 PolarHBondContact O-N 2.87Å; K160-E163 WeakPolarHBondContact CD-OE2 3.37Å; K160-E163 IonicContact NZ-OE2 3.49Å; K160-E163 PolarHBondContact NZ-OE2 2.88Å; E163-E165 VanDerWaalsContact C-N 3.29Å; E163-E165 PolarHBondContact O-N 3.31Å; E163-M166 PolarHBondContact O-N 2.96Å; E163-E167 WeakPolarHBondContact O-CB 3.27Å; E163-E167 WeakPolarHBondContact O-CG 3.4Å; E163-E167 PolarHBondContact O-N 3.15Å
164A89.8Confident88.5Confident4 Ų484.4 Ų84.43%0.03344%0.444CS..Hα-helixtrans-63.5-34.6176.500000112.7K160 A161 R162 N168 K169 A174 L177K160-A164 PolarHBondContact O-N 3.45Å; K160-A164 VanDerWaalsContact O-N 3.1Å; A161-A164 PolarHBondContact O-N 3.31Å; R162-A164 VanDerWaalsContact C-N 3.31Å; R162-A164 PolarHBondContact O-N 3.03Å; A164-N168 PolarHBondContact O-N 3.47Å; A164-K169 HydrophobicContact CB-CB 4.25Å; A164-K169 HydrophobicContact CB-CG 4.15Å; A164-K169 WeakPolarHBondContact O-CB 3.48Å; A164-K169 WeakPolarHBondContact O-CG 3.45Å; A164-K169 PolarHBondContact O-N 3.42Å; A164-A174 HydrophobicContact CB-CB 3.63Å; A164-L177 HydrophobicContact CB-CD1 4.41Å
165E87.3Confident88.5Confident144 Ų14486.1 Ų86.167%0.67345%0.446SS*.Hα-helixtrans-68.8-44.9172.8-70.5172.6175.100112.1A161 R162 E163 E167 N168A161-E165 WeakPolarHBondContact O-CG 3.44Å; A161-E165 PolarHBondContact O-N 3.22Å; A161-E165 VanDerWaalsContact O-N 3.1Å; R162-E165 WeakPolarHBondContact O-CB 3.48Å; R162-E165 PolarHBondContact O-N 2.97Å; E163-E165 VanDerWaalsContact C-N 3.29Å; E163-E165 PolarHBondContact O-N 3.31Å; E165-E167 VanDerWaalsContact C-N 3.32Å; E165-E167 PolarHBondContact O-N 2.98Å; E165-N168 WeakPolarHBondContact O-CA 3.35Å; E165-N168 PolarHBondContact O-N 3.44Å
166M89Confident88.5Confident169 Ų16991 Ų9183%0.83346%0.459SS*.Hα-helixtrans-64.5-35.8178.5-73.8-175.563.700112.6R162 E163 N168R162-M166 WeakPolarHBondContact O-CG 3.42Å; R162-M166 PolarHBondContact O-N 3.35Å; E163-M166 PolarHBondContact O-N 2.96Å; M166-N168 PolarHBondContact O-N 3.01Å
167E91.2Very high88.5Confident120 Ų12092.4 Ų92.456%0.56146%0.464SS*.THydrogen-bonded Turntrans-81.25.8174.3-69-173.5-160.200113.2E163 E165 K169E163-E167 WeakPolarHBondContact O-CB 3.27Å; E163-E167 WeakPolarHBondContact O-CG 3.4Å; E163-E167 PolarHBondContact O-N 3.15Å; E165-E167 VanDerWaalsContact C-N 3.32Å; E165-E167 PolarHBondContact O-N 2.98Å; E167-K169 HydrophobicContact CB-CD 4.2Å; E167-K169 HydrophobicContact CB-CG 4.04Å; E167-K169 PolarHBondContact O-N 2.92Å; E167-K169 VanDerWaalsContact O-N 3.16Å; E167-K169 WeakPolarHBondContact OE2-CE 3.48Å; E167-K169 IonicContact OE2-NZ 2.68Å; E167-K169 PolarHBondContact OE2-NZ 3.41Å
168N91.2Very high88.5Confident153 Ų15392.7 Ų92.782%0.81847%0.466SS*.THydrogen-bonded Turntrans50.738.9179.3-147.310.3000112.5A164 E165 M166A164-N168 PolarHBondContact O-N 3.47Å; E165-N168 WeakPolarHBondContact O-CA 3.35Å; E165-N168 PolarHBondContact O-N 3.44Å; M166-N168 PolarHBondContact O-N 3.01Å
169K89.1Confident88.4Confident88 Ų8893.1 Ų93.138%0.38347%0.469SS..  trans-66.5151.7179.4-61.8-60.5-168.4-153.60110.2A164 E167 M173A164-K169 HydrophobicContact CB-CB 4.25Å; A164-K169 HydrophobicContact CB-CG 4.15Å; A164-K169 WeakPolarHBondContact O-CB 3.48Å; A164-K169 WeakPolarHBondContact O-CG 3.45Å; A164-K169 PolarHBondContact O-N 3.42Å; E167-K169 HydrophobicContact CB-CD 4.2Å; E167-K169 HydrophobicContact CB-CG 4.04Å; E167-K169 PolarHBondContact O-N 2.92Å; E167-K169 VanDerWaalsContact O-N 3.16Å; E167-K169 WeakPolarHBondContact OE2-CE 3.48Å; E167-K169 IonicContact OE2-NZ 2.68Å; E167-K169 PolarHBondContact OE2-NZ 3.41Å; K169-M173 HydrophobicContact CB-CB 4.4Å
170S91.8Very high88.3Confident62 Ų6293.1 Ų93.143%0.43448%0.476SS..  trans-62.6149.9169.5710000110.4T172 M173 A174S170-T172 PolarHBondContact O-N 3.5Å; S170-T172 PolarHBondContact OG-OG1 3.02Å; S170-M173 PolarHBondContact O-N 3.45Å; S170-M173 WeakPolarHBondContact OG-CB 3.49Å; S170-M173 PolarHBondContact OG-N 3.33Å; S170-A174 PolarHBondContact O-N 3.18Å
171H86Confident88.3Confident140 Ų14092.4 Ų92.465%0.64847%0.473SS*.Hα-helixtrans-51.3-41.7176.9179.9-84.8000112.7M173 A174 Q175H171-M173 PolarHBondContact O-N 3Å; H171-A174 PolarHBondContact O-N 3.45Å; H171-Q175 PolarHBondContact CE1-NE2 3.5Å; H171-Q175 PolarHBondContact CE1-OE1 2.99Å; H171-Q175 PolarHBondContact ND1-OE1 3.15Å; H171-Q175 WeakPolarHBondContact O-CG 3.37Å; H171-Q175 PolarHBondContact O-N 3.12Å
172T84.8Confident88.5Confident84 Ų8495 Ų9552%0.51548%0.479SS..Hα-helixtrans-62.6-41.8177.248.90000112.4S170 Q175 H176S170-T172 PolarHBondContact O-N 3.5Å; S170-T172 PolarHBondContact OG-OG1 3.02Å; T172-Q175 PolarHBondContact O-N 3.08Å; T172-H176 PolarHBondContact O-CD2 3.49Å; T172-H176 PolarHBondContact O-N 3.47Å; T172-H176 VanDerWaalsContact O-N 3.12Å
173M82.5Confident88.4Confident104 Ų10489.2 Ų89.251%0.51247%0.468SS..Hα-helixtrans-71.6-40.3179.8-152.17072.200111.3K169 S170 H171 Q175 H176 L177K169-M173 HydrophobicContact CB-CB 4.4Å; S170-M173 PolarHBondContact O-N 3.45Å; S170-M173 WeakPolarHBondContact OG-CB 3.49Å; S170-M173 PolarHBondContact OG-N 3.33Å; H171-M173 PolarHBondContact O-N 3Å; M173-Q175 VanDerWaalsContact C-N 3.35Å; M173-Q175 PolarHBondContact O-N 3.27Å; M173-H176 PolarHBondContact O-N 3.45Å; M173-L177 VanDerWaalsContact O-CG 3.31Å; M173-L177 WeakPolarHBondContact O-CG 3.31Å; M173-L177 PolarHBondContact O-N 3.42Å
174A87.3Confident88.1Confident22 Ų2290.2 Ų90.218%0.18247%0.472CS..Hα-helixtrans-59.6-43.8174.200000111.8A164 S170 H171 L177 V178A164-A174 HydrophobicContact CB-CB 3.63Å; S170-A174 PolarHBondContact O-N 3.18Å; H171-A174 PolarHBondContact O-N 3.45Å; A174-L177 PolarHBondContact O-N 3.33Å; A174-V178 WeakPolarHBondContact O-CG2 3.45Å; A174-V178 PolarHBondContact O-N 3.01Å; A174-V178 VanDerWaalsContact O-N 3.08Å
175Q88.2Confident87.8Confident100 Ų10091.2 Ų91.247%0.46748%0.477SS..Hα-helixtrans-60.3-45.5174.7-76.4-178.2-43.500112.4H171 T172 M173 L177 V178 L179H171-Q175 PolarHBondContact CE1-NE2 3.5Å; H171-Q175 PolarHBondContact CE1-OE1 2.99Å; H171-Q175 PolarHBondContact ND1-OE1 3.15Å; H171-Q175 WeakPolarHBondContact O-CG 3.37Å; H171-Q175 PolarHBondContact O-N 3.12Å; T172-Q175 PolarHBondContact O-N 3.08Å; M173-Q175 VanDerWaalsContact C-N 3.35Å; M173-Q175 PolarHBondContact O-N 3.27Å; Q175-L177 VanDerWaalsContact C-N 3.34Å; Q175-L177 PolarHBondContact O-N 2.82Å; Q175-V178 PolarHBondContact O-N 3.48Å; Q175-L179 WeakPolarHBondContact O-CB 3.4Å; Q175-L179 VanDerWaalsContact O-CG 3.3Å; Q175-L179 WeakPolarHBondContact O-CG 2.88Å; Q175-L179 PolarHBondContact O-N 2.78Å
176H86.2Confident87.5Confident134 Ų13488.9 Ų88.962%0.6247%0.468SS*.Hα-helixtrans-61.2-41.2177.4-85.9-69000112.6T172 M173 L179 A180T172-H176 PolarHBondContact O-CD2 3.49Å; T172-H176 PolarHBondContact O-N 3.47Å; T172-H176 VanDerWaalsContact O-N 3.12Å; M173-H176 PolarHBondContact O-N 3.45Å; H176-L179 PolarHBondContact O-N 3.35Å; H176-A180 VanDerWaalsContact O-CB 3.27Å; H176-A180 WeakPolarHBondContact O-CB 3.45Å; H176-A180 PolarHBondContact O-N 2.92Å
177L85.9Confident86.9Confident76 Ų7685.1 Ų85.140%0.39846%0.458SS..Hα-helixtrans-64.8-45.5179-70.4167.8000112A164 M173 A174 Q175 A180 E181A164-L177 HydrophobicContact CB-CD1 4.41Å; M173-L177 VanDerWaalsContact O-CG 3.31Å; M173-L177 WeakPolarHBondContact O-CG 3.31Å; M173-L177 PolarHBondContact O-N 3.42Å; A174-L177 PolarHBondContact O-N 3.33Å; Q175-L177 VanDerWaalsContact C-N 3.34Å; Q175-L177 PolarHBondContact O-N 2.82Å; L177-A180 PolarHBondContact O-N 3.22Å; L177-E181 WeakPolarHBondContact O-CB 3.42Å; L177-E181 PolarHBondContact O-N 3.45Å
178V91.3Very high85.9Confident38 Ų3884.8 Ų84.823%0.2346%0.457CS..Hα-helixtrans-65.8-41.1178.5174.40000111.4L157 K160 A161 A174 Q175 E181 F182L157-V178 HydrophobicContact CB-CG1 4.49Å; L157-V178 HydrophobicContact CD2-CG1 4.14Å; L157-V178 WeakPolarHBondContact CD2-O 3.38Å; K160-V178 HydrophobicContact CB-CG2 4.46Å; A161-V178 HydrophobicContact CB-CG2 4.07Å; A174-V178 WeakPolarHBondContact O-CG2 3.45Å; A174-V178 PolarHBondContact O-N 3.01Å; A174-V178 VanDerWaalsContact O-N 3.08Å; Q175-V178 PolarHBondContact O-N 3.48Å; V178-E181 PolarHBondContact O-N 2.97Å; V178-F182 WeakPolarHBondContact O-CB 3.47Å; V178-F182 PolarHBondContact O-N 3.1Å
179L88.3Confident84.6Confident115 Ų11581.7 Ų81.760%0.60244%0.44SS*.Hα-helixtrans-68.5-37.1177.8-72.4172.1000112.5Q175 H176 F182 G183Q175-L179 WeakPolarHBondContact O-CB 3.4Å; Q175-L179 VanDerWaalsContact O-CG 3.3Å; Q175-L179 WeakPolarHBondContact O-CG 2.88Å; Q175-L179 PolarHBondContact O-N 2.78Å; H176-L179 PolarHBondContact O-N 3.35Å; L179-F182 PolarHBondContact O-N 2.92Å; L179-G183 PolarHBondContact O-N 3.32Å
180A87.6Confident84.4Confident67 Ų6781.4 Ų81.455%0.55444%0.442SS*.Hα-helixtrans-64.2-44.3174.500000111.3H176 L177 F182 G183 H184H176-A180 VanDerWaalsContact O-CB 3.27Å; H176-A180 WeakPolarHBondContact O-CB 3.45Å; H176-A180 PolarHBondContact O-N 2.92Å; L177-A180 PolarHBondContact O-N 3.22Å; A180-F182 VanDerWaalsContact C-N 3.33Å; A180-F182 PolarHBondContact O-N 3.09Å; A180-G183 PolarHBondContact O-N 3.46Å; A180-H184 PolarHBondContact O-N 2.96Å
181E90.7Very high84Confident51 Ų5182.4 Ų82.424%0.23844%0.443CS..Hα-helixtrans-61.1-42.2175.6-16874.7-158.800111.5L157 K160 L177 V178 G183 H184 H185L157-E181 HydrophobicContact CD2-CB 3.91Å; L157-E181 HydrophobicContact CD2-CG 4.01Å; K160-E181 WeakPolarHBondContact CE-OE2 3.39Å; K160-E181 HydrophobicContact CG-CB 4.2Å; K160-E181 HydrophobicContact CG-CG 3.84Å; L177-E181 WeakPolarHBondContact O-CB 3.42Å; L177-E181 PolarHBondContact O-N 3.45Å; V178-E181 PolarHBondContact O-N 2.97Å; E181-G183 PolarHBondContact O-N 2.97Å; E181-H184 WeakPolarHBondContact O-CB 3.45Å; E181-H184 PolarHBondContact O-N 3.18Å; E181-H185 PolarHBondContact O-N 3.39Å; E181-H185 PolarHBondContact O-ND1 3.26Å; E181-H185 IonicContact OE1-CE1 3.44Å; E181-H185 PolarHBondContact OE1-CE1 2.91Å; E181-H185 VanDerWaalsContact OE1-CE1 3.3Å
182F91.4Very high83.9Confident89 Ų8979.2 Ų79.239%0.3943%0.431SS..Hα-helixtrans-63.4-42.1176.4-176.8-121.4000111.9V153 L157 V178 L179 A180 H184 H185 L186V153-F182 HydrophobicContact CG1-CD2 4.3Å; L157-F182 HydrophobicContact CD1-CB 4.39Å; L157-F182 HydrophobicContact CD1-CD2 3.9Å; L157-F182 HydrophobicContact CD1-CG 4.48Å; L157-F182 HydrophobicContact CD2-CB 3.81Å; V178-F182 WeakPolarHBondContact O-CB 3.47Å; V178-F182 PolarHBondContact O-N 3.1Å; L179-F182 PolarHBondContact O-N 2.92Å; A180-F182 VanDerWaalsContact C-N 3.33Å; A180-F182 PolarHBondContact O-N 3.09Å; F182-H184 VanDerWaalsContact C-N 3.33Å; F182-H184 PolarHBondContact O-N 2.89Å; F182-H185 PolarHBondContact O-N 2.68Å; F182-L186 HydrophobicContact CD1-CD1 4Å; F182-L186 HydrophobicContact CE1-CD1 3.6Å; F182-L186 HydrophobicContact CE1-CG 4.26Å; F182-L186 HydrophobicContact CE2-CD2 4.42Å; F182-L186 HydrophobicContact CE2-CG 4.35Å; F182-L186 HydrophobicContact CZ-CD1 3.9Å; F182-L186 HydrophobicContact CZ-CD2 4.17Å; F182-L186 HydrophobicContact CZ-CG 4.14Å; F182-L186 WeakPolarHBondContact O-CG 3.41Å; F182-L186 PolarHBondContact O-N 3.39Å; F182-L186 VanDerWaalsContact O-N 3.08Å
183G86.2Confident83.9Confident37 Ų3778.9 Ų78.938%0.38143%0.427SS..Hα-helixtrans-60.7-39175.300000113.3L179 A180 E181 L186 S187L179-G183 PolarHBondContact O-N 3.32Å; A180-G183 PolarHBondContact O-N 3.46Å; E181-G183 PolarHBondContact O-N 2.97Å; G183-L186 PolarHBondContact O-N 3.48Å; G183-S187 PolarHBondContact O-N 3.33Å
184H85.1Confident83.9Confident97 Ų9777.4 Ų77.445%0.44942%0.421SS..Hα-helixtrans-58.3-50.7174-179.7-84.9000111.3A180 E181 F182 L186 S187 E188A180-H184 PolarHBondContact O-N 2.96Å; E181-H184 WeakPolarHBondContact O-CB 3.45Å; E181-H184 PolarHBondContact O-N 3.18Å; F182-H184 VanDerWaalsContact C-N 3.33Å; F182-H184 PolarHBondContact O-N 2.89Å; H184-L186 VanDerWaalsContact C-N 3.29Å; H184-L186 PolarHBondContact O-N 3.17Å; H184-S187 WeakPolarHBondContact O-CB 3.33Å; H184-S187 PolarHBondContact O-N 2.88Å; H184-S187 PolarHBondContact O-OG 3.1Å; H184-E188 IonicContact CE1-OE1 2.78Å; H184-E188 PolarHBondContact CE1-OE1 3.36Å; H184-E188 VanDerWaalsContact CE1-OE1 3.25Å; H184-E188 IonicContact CE1-OE2 3.25Å; H184-E188 PolarHBondContact CE1-OE2 3.44Å; H184-E188 IonicContact ND1-OE2 3.3Å; H184-E188 PolarHBondContact ND1-OE2 3.02Å; H184-E188 PolarHBondContact O-N 3.16Å
185H83.6Confident83.7Confident26 Ų2681.1 Ų81.112%0.1244%0.437CS..Hα-helixtrans-64.8-31.2-179.8-70.387.8000113.4V153 E181 F182 S187 E188 I189V153-H185 HydrophobicContact CG1-CB 4.07Å; V153-H185 HydrophobicContact CG2-CB 3.95Å; E181-H185 PolarHBondContact O-N 3.39Å; E181-H185 PolarHBondContact O-ND1 3.26Å; E181-H185 IonicContact OE1-CE1 3.44Å; E181-H185 PolarHBondContact OE1-CE1 2.91Å; E181-H185 VanDerWaalsContact OE1-CE1 3.3Å; F182-H185 PolarHBondContact O-N 2.68Å; H185-S187 VanDerWaalsContact C-N 3.28Å; H185-S187 PolarHBondContact O-N 3.21Å; H185-E188 PolarHBondContact O-N 2.91Å; H185-I189 WeakPolarHBondContact O-CD1 3.47Å
186L80.8Confident83.4Confident94 Ų9479.7 Ų79.749%0.49244%0.435SS..Hα-helixtrans-68.8-26.1173.3-72178.4000113.1F182 G183 H184 E188 I189F182-L186 HydrophobicContact CD1-CD1 4Å; F182-L186 HydrophobicContact CE1-CD1 3.6Å; F182-L186 HydrophobicContact CE1-CG 4.26Å; F182-L186 HydrophobicContact CE2-CD2 4.42Å; F182-L186 HydrophobicContact CE2-CG 4.35Å; F182-L186 HydrophobicContact CZ-CD1 3.9Å; F182-L186 HydrophobicContact CZ-CD2 4.17Å; F182-L186 HydrophobicContact CZ-CG 4.14Å; F182-L186 WeakPolarHBondContact O-CG 3.41Å; F182-L186 PolarHBondContact O-N 3.39Å; F182-L186 VanDerWaalsContact O-N 3.08Å; G183-L186 PolarHBondContact O-N 3.48Å; H184-L186 VanDerWaalsContact C-N 3.29Å; H184-L186 PolarHBondContact O-N 3.17Å; L186-E188 VanDerWaalsContact C-N 3.3Å; L186-I189 HydrophobicContact CD2-CD1 4.45Å
187S75.5Confident83.2Confident90 Ų9075.5 Ų75.563%0.62942%0.421SS*.Hα-helixtrans-79.5-13.1176.473.70000113.7G183 H184 H185G183-S187 PolarHBondContact O-N 3.33Å; H184-S187 WeakPolarHBondContact O-CB 3.33Å; H184-S187 PolarHBondContact O-N 2.88Å; H184-S187 PolarHBondContact O-OG 3.1Å; H185-S187 VanDerWaalsContact C-N 3.28Å; H185-S187 PolarHBondContact O-N 3.21Å
188E70.1Confident83Confident114 Ų11475.5 Ų75.553%0.53342%0.423SS..THydrogen-bonded Turntrans-99.39.8179.5-62.5-175130.800113R149 H184 H185 L186R149-E188 PolarHBondContact NH2-O 3.36Å; H184-E188 IonicContact CE1-OE1 2.78Å; H184-E188 PolarHBondContact CE1-OE1 3.36Å; H184-E188 VanDerWaalsContact CE1-OE1 3.25Å; H184-E188 IonicContact CE1-OE2 3.25Å; H184-E188 PolarHBondContact CE1-OE2 3.44Å; H184-E188 IonicContact ND1-OE2 3.3Å; H184-E188 PolarHBondContact ND1-OE2 3.02Å; H184-E188 PolarHBondContact O-N 3.16Å; H185-E188 PolarHBondContact O-N 2.91Å; L186-E188 VanDerWaalsContact C-N 3.3Å
189I64.9Low82.2Confident88 Ų8878.9 Ų78.945%0.45144%0.44SS..  trans-110.80175.8-64.3161.7000109.2L145 H185 L186L145-I189 HydrophobicContact CD2-CD1 3.83Å; H185-I189 WeakPolarHBondContact O-CD1 3.47Å; L186-I189 HydrophobicContact CD2-CD1 4.45Å

Retrieved 189 of 189 residues in 34.4 ms (Link to these results)

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