A0A077Z3C3_TRITR Loading...

DNA directed RNA polymerase II subunit RPB4

AlphaFold DB , UniProt , Accession A0A077Z3C3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 140 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
1M41.7Very low53.6Low238 Ų238131.8 Ų131.8100%1.17277%0.771SS**  0121.50-81162.2174.700107.1
2N41.3Very low55.1Low144 Ų144134.3 Ų134.377%0.7777%0.77SS**  trans-102.790.8175.6-167.624.1000106.7S4N2-S4 PolarHBondContact O-N 3.23Å; N2-S4 VanDerWaalsContact O-N 3.08Å; N2-S4 PolarHBondContact OD1-OG 3.06Å; N2-S4 VanDerWaalsContact OD1-OG 3.05Å
3T57.5Low57.5Low119 Ų119133.3 Ų133.373%0.7377%0.768SS**  trans-83.149.8174.5500000109.9G5T3-G5 PolarHBondContact O-N 3.1Å
4S53.1Low60Low98 Ų98133.6 Ų133.669%0.68576%0.759SS**  trans-90.356.4165.8-54.40000109.3N2N2-S4 PolarHBondContact O-N 3.23Å; N2-S4 VanDerWaalsContact O-N 3.08Å; N2-S4 PolarHBondContact OD1-OG 3.06Å; N2-S4 VanDerWaalsContact OD1-OG 3.05Å
5G49.7Very low62.3Low51 Ų51128.2 Ų128.253%0.52673%0.727SS.*  trans-73.4159.1158.300000109.3T3 I7T3-G5 PolarHBondContact O-N 3.1Å; G5-I7 PolarHBondContact O-N 2.61Å
6P53.2Low64.2Low124 Ų124122.5 Ų122.581%0.80570%0.7SS**  trans-54.5132.1170.8-15.728.2000108.8E8P6-E8 PolarHBondContact O-N 3.26Å
7I57.3Low66Low154 Ų154117.6 Ų117.679%0.7968%0.679SS**  trans-58.4107.6170.7-58.7169.2000105.7G5 E9G5-I7 PolarHBondContact O-N 2.61Å; I7-E9 PolarHBondContact O-N 3.14Å; I7-E9 VanDerWaalsContact O-N 3.1Å
8E57.8Low67.6Low151 Ų151117.4 Ų117.471%0.70667%0.67SS**  trans-61.6114.9178.6-70.8-171.615900107.9P6 G10 T11P6-E8 PolarHBondContact O-N 3.26Å; E8-G10 PolarHBondContact O-N 2.78Å; E8-T11 PolarHBondContact O-N 3.11Å; E8-T11 PolarHBondContact O-OG1 3.05Å
9E50.3Low69Low208 Ų208113.5 Ų113.597%0.97265%0.647SS**THydrogen-bonded Turntrans-51108.6174.3-90.9178.8154.300109.5I7I7-E9 PolarHBondContact O-N 3.14Å; I7-E9 VanDerWaalsContact O-N 3.1Å
10G61.7Low70.2Confident79 Ų79112.2 Ų112.281%0.81463%0.633SS**THydrogen-bonded Turntrans115.8-2.3-176.100000115.5E8 E12E8-G10 PolarHBondContact O-N 2.78Å; G10-E12 PolarHBondContact O-N 3.38Å
11T65.6Low71.3Confident84 Ų84110.1 Ų110.152%0.51562%0.618SS.*PPolyproline II helixtrans-66.1127.1166.620.70000109.8E8 V13E8-T11 PolarHBondContact O-N 3.11Å; E8-T11 PolarHBondContact O-OG1 3.05Å; T11-V13 PolarHBondContact O-N 3.41Å
12E72.2Confident73.7Confident161 Ų161100.1 Ų100.175%0.75257%0.57SS**PPolyproline II helixtrans-54.4135172.8-68.5-176.417600109.7G10 E14G10-E12 PolarHBondContact O-N 3.38Å; E12-E14 PolarHBondContact O-N 2.94Å; E12-E14 VanDerWaalsContact O-N 3.16Å
13V86.7Confident76Confident122 Ų122103.9 Ų103.974%0.73957%0.574SS**PPolyproline II helixtrans-65.5117.8-179.1-179.60000109.1T11 N15T11-V13 PolarHBondContact O-N 3.41Å; V13-N15 PolarHBondContact O-N 3.35Å
14E91.4Very high77.5Confident138 Ų138104.9 Ų104.965%0.64557%0.57SS**PPolyproline II helixtrans-57.9130172.9-63.5173.7-149.900110.3E12 K20 P22E12-E14 PolarHBondContact O-N 2.94Å; E12-E14 VanDerWaalsContact O-N 3.16Å; E14-K20 CarbonylContact C-O 3.57Å; E14-K20 WeakPolarHBondContact CA-O 3.04Å; E14-P22 VanDerWaalsContact CD-CG 3.41Å; E14-P22 HydrophobicContact CG-CG 4.05Å; E14-P22 WeakPolarHBondContact OE1-CG 3.37Å
15N94.4Very high79.3Confident52 Ų52105.3 Ų105.328%0.27856%0.56SS.*BIsolated β-bridgetrans-151.6105.3178.6-173.9-4.7000110.2V13 A17 E18 L19 K20V13-N15 PolarHBondContact O-N 3.35Å; N15-A17 PolarHBondContact O-N 3.12Å; N15-A17 VanDerWaalsContact OD1-CB 3.29Å; N15-A17 WeakPolarHBondContact OD1-CB 3.42Å; N15-A17 PolarHBondContact OD1-N 2.84Å; N15-E18 HydrophobicContact CB-CB 4.19Å; N15-E18 HydrophobicContact CB-CG 4.47Å; N15-E18 VanDerWaalsContact ND2-CD 3.3Å; N15-E18 WeakPolarHBondContact ND2-CG 3.38Å; N15-E18 PolarHBondContact ND2-OE1 3.4Å; N15-E18 CarbonylContact O-C 3.43Å; N15-E18 PolarHBondContact O-N 3.39Å; N15-L19 PolarHBondContact O-N 2.91Å; N15-K20 HydrophobicContact CB-CB 4.43Å; N15-K20 PolarHBondContact N-O 3.46Å; N15-K20 PolarHBondContact O-N 2.99Å
16A92.8Very high81.1Confident37 Ų37109.5 Ų109.531%0.30657%0.566SS.*G310 helixtrans-63.6-28.1178.400000113.1E18 L19 F21 F94A16-E18 PolarHBondContact O-N 2.88Å; A16-L19 PolarHBondContact O-N 3.21Å; A16-F21 HydrophobicContact CB-CE1 4.09Å; A16-F21 HydrophobicContact CB-CZ 4.01Å; A16-F94 HydrophobicContact CB-CE1 4.03Å; A16-F94 HydrophobicContact CB-CE2 4.33Å; A16-F94 HydrophobicContact CB-CZ 3.75Å
17A94.9Very high82.7Confident40 Ų40111.3 Ų111.333%0.33156%0.564SS.*G310 helixtrans-68.1-22.6174.700000112.6N15 P115 S116N15-A17 PolarHBondContact O-N 3.12Å; N15-A17 VanDerWaalsContact OD1-CB 3.29Å; N15-A17 WeakPolarHBondContact OD1-CB 3.42Å; N15-A17 PolarHBondContact OD1-N 2.84Å; A17-P115 HydrophobicContact CB-CB 4.08Å; A17-P115 HydrophobicContact CB-CG 4.21Å; A17-S116 WeakPolarHBondContact O-CA 3.42Å; A17-S116 VanDerWaalsContact O-CB 3.3Å; A17-S116 WeakPolarHBondContact O-CB 3.35Å
18E94.6Very high84.3Confident113 Ų113105.5 Ų105.553%0.52854%0.539SS..G310 helixtrans-106.87.1175.1-66.7173.7-142.800112.3N15 A16 K20N15-E18 HydrophobicContact CB-CB 4.19Å; N15-E18 HydrophobicContact CB-CG 4.47Å; N15-E18 VanDerWaalsContact ND2-CD 3.3Å; N15-E18 WeakPolarHBondContact ND2-CG 3.38Å; N15-E18 PolarHBondContact ND2-OE1 3.4Å; N15-E18 CarbonylContact O-C 3.43Å; N15-E18 PolarHBondContact O-N 3.39Å; A16-E18 PolarHBondContact O-N 2.88Å; E18-K20 HydrophobicContact CB-CD 4.22Å; E18-K20 HydrophobicContact CB-CG 4.19Å; E18-K20 PolarHBondContact O-N 3.39Å; E18-K20 VanDerWaalsContact OE2-CE 3.27Å; E18-K20 WeakPolarHBondContact OE2-CE 3.45Å; E18-K20 IonicContact OE2-NZ 2.61Å; E18-K20 PolarHBondContact OE2-NZ 3.5Å
19L94.3Very high86Confident43 Ų43104.9 Ų104.923%0.22554%0.54CS..THydrogen-bonded Turntrans56.427.3-174.3-53.9172.6000114.4N15 A16 F21 H92 F94 E95N15-L19 PolarHBondContact O-N 2.91Å; A16-L19 PolarHBondContact O-N 3.21Å; L19-F21 HydrophobicContact CB-CE2 4.25Å; L19-F21 HydrophobicContact CD2-CE2 4.03Å; L19-F21 WeakPolarHBondContact O-CD2 3.39Å; L19-F21 PolarHBondContact O-N 3.39Å; L19-H92 HydrophobicContact CD1-CB 3.74Å; L19-H92 HydrophobicContact CD2-CB 4.01Å; L19-F94 HydrophobicContact CD2-CB 4.45Å; L19-F94 HydrophobicContact CD2-CD1 3.88Å; L19-E95 HydrophobicContact CD2-CG 4.17Å
20K93.8Very high88.1Confident87 Ų8796.6 Ų96.638%0.37850%0.504SS..BIsolated β-bridgetrans-86.695.3173.9-70.6176.5176.8164.60109.4E14 N15 E18E14-K20 CarbonylContact C-O 3.57Å; E14-K20 WeakPolarHBondContact CA-O 3.04Å; N15-K20 HydrophobicContact CB-CB 4.43Å; N15-K20 PolarHBondContact N-O 3.46Å; N15-K20 PolarHBondContact O-N 2.99Å; E18-K20 HydrophobicContact CB-CD 4.22Å; E18-K20 HydrophobicContact CB-CG 4.19Å; E18-K20 PolarHBondContact O-N 3.39Å; E18-K20 VanDerWaalsContact OE2-CE 3.27Å; E18-K20 WeakPolarHBondContact OE2-CE 3.45Å; E18-K20 IonicContact OE2-NZ 2.61Å; E18-K20 PolarHBondContact OE2-NZ 3.5Å
21F92.6Very high89.7Confident70 Ų7097.5 Ų97.531%0.30749%0.489SS..  trans-105.2158.1175.3-63.7-80.9000110.8A16 L19 F25 H92 F94A16-F21 HydrophobicContact CB-CE1 4.09Å; A16-F21 HydrophobicContact CB-CZ 4.01Å; L19-F21 HydrophobicContact CB-CE2 4.25Å; L19-F21 HydrophobicContact CD2-CE2 4.03Å; L19-F21 WeakPolarHBondContact O-CD2 3.39Å; L19-F21 PolarHBondContact O-N 3.39Å; F21-F25 HydrophobicContact CB-CB 4.22Å; F21-H92 AromaticContact CD2-CE1 3.97Å; F21-H92 AromaticContact CE2-CE1 3.77Å; F21-F94 HydrophobicContact CE1-CD2 4.05Å; F21-F94 HydrophobicContact CE1-CE2 4.39Å; F21-F94 HydrophobicContact CE1-CG 4.35Å; F21-F94 HydrophobicContact CE2-CB 3.95Å; F21-F94 HydrophobicContact CE2-CD1 4.45Å; F21-F94 HydrophobicContact CE2-CG 4.11Å; F21-F94 HydrophobicContact CZ-CB 3.73Å; F21-F94 AromaticContact CZ-CD1 3.86Å; F21-F94 HydrophobicContact CZ-CD1 3.86Å; F21-F94 AromaticContact CZ-CD2 3.59Å; F21-F94 HydrophobicContact CZ-CD2 3.59Å; F21-F94 HydrophobicContact CZ-CE1 4.34Å; F21-F94 HydrophobicContact CZ-CE2 4.11Å; F21-F94 AromaticContact CZ-CG 3.45Å; F21-F94 HydrophobicContact CZ-CG 3.45Å; F21-F94 VanDerWaalsContact CZ-CG 3.45Å; F21-F94 HydrophobicContact CZ-CZ 4.46Å
22P92.5Very high91.2Very high27 Ų2793.5 Ų93.518%0.17547%0.465CS..  trans-51.7146.2167.7-27.534000112.3E14 E24 F25E14-P22 VanDerWaalsContact CD-CG 3.41Å; E14-P22 HydrophobicContact CG-CG 4.05Å; E14-P22 WeakPolarHBondContact OE1-CG 3.37Å; P22-E24 HydrophobicContact CB-CG 3.86Å; P22-E24 PolarHBondContact O-N 3.07Å; P22-E24 VanDerWaalsContact O-N 3.08Å; P22-F25 HydrophobicContact CB-CD2 3.85Å; P22-F25 HydrophobicContact CB-CE2 4.28Å; P22-F25 HydrophobicContact CG-CD2 3.9Å; P22-F25 HydrophobicContact CG-CE2 4.15Å; P22-F25 PolarHBondContact O-N 2.98Å
23R89.7Confident92.3Very high224 Ų22487.4 Ų87.485%0.84544%0.439SS*.G310 helixtrans-56-29.3-178.6-67-176.2179.6178.50.8113.7F25 E26R23-F25 PolarHBondContact O-N 3.16Å; R23-E26 WeakPolarHBondContact O-CB 3.07Å; R23-E26 PolarHBondContact O-N 3.07Å
24E89.7Confident92.8Very high140 Ų14081.6 Ų81.665%0.65440%0.404SS*.G310 helixtrans-64.7-18.517558.7-165.1-128.700114.1P22P22-E24 HydrophobicContact CB-CG 3.86Å; P22-E24 PolarHBondContact O-N 3.07Å; P22-E24 VanDerWaalsContact O-N 3.08Å
25F91.2Very high93.1Very high107 Ų10777 Ų7747%0.46938%0.382SS..G310 helixtrans-102.8-5.3177.2-62.2-65000114.5F21 P22 R23 E27 A28F21-F25 HydrophobicContact CB-CB 4.22Å; P22-F25 HydrophobicContact CB-CD2 3.85Å; P22-F25 HydrophobicContact CB-CE2 4.28Å; P22-F25 HydrophobicContact CG-CD2 3.9Å; P22-F25 HydrophobicContact CG-CE2 4.15Å; P22-F25 PolarHBondContact O-N 2.98Å; R23-F25 PolarHBondContact O-N 3.16Å; F25-E27 VanDerWaalsContact C-N 3.3Å; F25-E27 PolarHBondContact O-N 3.17Å; F25-A28 HydrophobicContact CB-CB 4.33Å; F25-A28 HydrophobicContact CD1-CB 4.03Å; F25-A28 PolarHBondContact O-N 2.82Å; F25-A28 VanDerWaalsContact O-N 3.16Å
26E86.9Confident93.2Very high138 Ų13876.8 Ų76.865%0.64538%0.382SS*.THydrogen-bonded Turntrans-59.1-42.7-178-168.5169.5-168.500111.5R23R23-E26 WeakPolarHBondContact O-CB 3.07Å; R23-E26 PolarHBondContact O-N 3.07Å
27E86.7Confident93.4Very high163 Ų16375.8 Ų75.876%0.76237%0.371SS*.SBendtrans-100.82.8176.6-63.5-58.814700113.4F25F25-E27 VanDerWaalsContact C-N 3.3Å; F25-E27 PolarHBondContact O-N 3.17Å
28A91.2Very high93.5Very high32 Ų3276 Ų7626%0.26437%0.367SS..  trans-67.2145-176.600000111.5F25 K93F25-A28 HydrophobicContact CB-CB 4.33Å; F25-A28 HydrophobicContact CD1-CB 4.03Å; F25-A28 PolarHBondContact O-N 2.82Å; F25-A28 VanDerWaalsContact O-N 3.16Å; A28-K93 WeakPolarHBondContact O-CD 3.45Å; A28-K93 PolarHBondContact O-NZ 3.31Å
29D92.5Very high93.5Very high138 Ų13875.5 Ų75.574%0.73837%0.367SS*.  trans-84.2156.6166.3-82.8-31.5000111.1K93D29-K93 IonicContact OD1-NZ 2.73Å; D29-K93 PolarHBondContact OD1-NZ 2.6Å
30T94.4Very high93.6Very high34 Ų3474.7 Ų74.721%0.20936%0.363CS..  trans-118.4138.2-174.259.70000111.4R83 K93 M97T30-R83 PolarHBondContact O-NH1 3.3Å; T30-R83 PolarHBondContact O-NH2 2.99Å; T30-K93 HydrophobicContact CG2-CB 3.76Å; T30-K93 HydrophobicContact CG2-CD 4.45Å; T30-M97 HydrophobicContact CG2-CG 4.12Å; T30-M97 VanDerWaalsContact OG1-CG 3.24Å; T30-M97 WeakPolarHBondContact OG1-CG 3.4Å; T30-M97 PolarHBondContact OG1-SD 3.31Å
31L95.9Very high93.6Very high97 Ų9773.3 Ų73.351%0.50836%0.358SS..  trans-109.1135.4174.3-63.6176.4000109.8E35 V36 L39L31-E35 WeakPolarHBondContact CA-OE2 3.42Å; L31-E35 HydrophobicContact CB-CB 4.36Å; L31-E35 HydrophobicContact CD2-CB 4.25Å; L31-V36 HydrophobicContact CB-CG2 3.89Å; L31-V36 HydrophobicContact CD1-CG2 4.27Å; L31-L39 HydrophobicContact CD1-CD1 3.93Å
32L96.5Very high93.7Very high0 Ų075.8 Ų75.80%037%0.369CS..  trans-64.9151.4165.1-63.7177.1000109.7S34 E35 V36 I79 R83 M97 A100L32-S34 PolarHBondContact O-N 3.22Å; L32-S34 VanDerWaalsContact O-N 3.11Å; L32-E35 HydrophobicContact CB-CB 4.42Å; L32-E35 HydrophobicContact CB-CG 4.11Å; L32-E35 PolarHBondContact N-OE2 3.38Å; L32-E35 WeakPolarHBondContact O-CA 3.3Å; L32-E35 WeakPolarHBondContact O-CB 3.37Å; L32-E35 PolarHBondContact O-N 3.22Å; L32-V36 PolarHBondContact O-N 3.42Å; L32-I79 HydrophobicContact CD1-CG2 4.09Å; L32-R83 HydrophobicContact CD1-CG 4.15Å; L32-M97 HydrophobicContact CD2-CB 4.44Å; L32-M97 HydrophobicContact CD2-CE 3.79Å; L32-M97 HydrophobicContact CD2-CG 4.49Å; L32-M97 HydrophobicContact CD2-SD 3.4Å; L32-M97 WeakPolarHBondContact CD2-SD 3.38Å; L32-M97 HydrophobicContact CG-CE 4.39Å; L32-M97 HydrophobicContact CG-SD 3.84Å; L32-A100 HydrophobicContact CD1-CB 4.27Å; L32-A100 HydrophobicContact CD2-CB 3.33Å; L32-A100 HydrophobicContact CG-CB 4.46Å
33T96.7Very high93.7Very high34 Ų3478.9 Ų78.921%0.20938%0.377CS..Hα-helixtrans-57-31.5171.9-51.20000111.5V36 F37 A67 M70 S71 N101T33-V36 PolarHBondContact O-N 3.05Å; T33-F37 WeakPolarHBondContact O-CB 3.49Å; T33-F37 PolarHBondContact O-N 3.12Å; T33-A67 HydrophobicContact CG2-CB 4.36Å; T33-M70 HydrophobicContact CG2-CB 3.63Å; T33-S71 PolarHBondContact O-OG 3.11Å; T33-N101 PolarHBondContact N-OD1 2.9Å; T33-N101 PolarHBondContact OG1-OD1 3.4Å
34S96.6Very high93.7Very high0 Ų072.3 Ų72.30%035%0.352CS..Hα-helixtrans-63.3-40.9172.4-54.60000112.9L32 F37 L38 S71 K72 F73L32-S34 PolarHBondContact O-N 3.22Å; L32-S34 VanDerWaalsContact O-N 3.11Å; S34-F37 PolarHBondContact O-N 3.32Å; S34-L38 WeakPolarHBondContact O-CG 3.49Å; S34-L38 PolarHBondContact O-N 2.94Å; S34-L38 VanDerWaalsContact O-N 3.1Å; S34-S71 WeakPolarHBondContact CA-OG 3.28Å; S34-K72 PolarHBondContact OG-N 3.34Å; S34-F73 WeakPolarHBondContact CB-O 3.48Å; S34-F73 PolarHBondContact OG-N 3.2Å; S34-F73 VanDerWaalsContact OG-N 3.08Å; S34-F73 PolarHBondContact OG-O 3.47Å
35E97.1Very high93.8Very high41 Ų4170.1 Ų70.119%0.19234%0.34CS..Hα-helixtrans-69.9-42176.4-68.4171.3128.800110.9L31 L32 F37 L38 L39 I79 R83L31-E35 WeakPolarHBondContact CA-OE2 3.42Å; L31-E35 HydrophobicContact CB-CB 4.36Å; L31-E35 HydrophobicContact CD2-CB 4.25Å; L32-E35 HydrophobicContact CB-CB 4.42Å; L32-E35 HydrophobicContact CB-CG 4.11Å; L32-E35 PolarHBondContact N-OE2 3.38Å; L32-E35 WeakPolarHBondContact O-CA 3.3Å; L32-E35 WeakPolarHBondContact O-CB 3.37Å; L32-E35 PolarHBondContact O-N 3.22Å; E35-F37 VanDerWaalsContact C-N 3.3Å; E35-F37 PolarHBondContact O-N 3.34Å; E35-L38 PolarHBondContact O-N 3.1Å; E35-L39 WeakPolarHBondContact O-CG 3.36Å; E35-L39 PolarHBondContact O-N 2.85Å; E35-I79 HydrophobicContact CG-CG2 3.77Å; E35-R83 IonicContact OE1-NH1 3.32Å; E35-R83 IonicContact OE2-CZ 2.68Å; E35-R83 IonicContact OE2-NH1 3.76Å; E35-R83 PolarHBondContact OE2-NH1 2.91Å
36V96.9Very high93.8Very high47 Ų4768.1 Ų68.129%0.28533%0.332SS..Hα-helixtrans-57.8-44.8173.5176.80000110.7L31 L32 T33 L38 L39 L40 A67L31-V36 HydrophobicContact CB-CG2 3.89Å; L31-V36 HydrophobicContact CD1-CG2 4.27Å; L32-V36 PolarHBondContact O-N 3.42Å; T33-V36 PolarHBondContact O-N 3.05Å; V36-L38 PolarHBondContact O-N 3.41Å; V36-L39 PolarHBondContact O-N 3.39Å; V36-L40 HydrophobicContact CG1-CD1 3.82Å; V36-L40 HydrophobicContact CG1-CG 4.34Å; V36-L40 VanDerWaalsContact O-CG 3.27Å; V36-L40 WeakPolarHBondContact O-CG 3.08Å; V36-L40 PolarHBondContact O-N 3.06Å; V36-A67 HydrophobicContact CG1-CB 4.27Å
37F97Very high93.9Very high17 Ų1762.2 Ų62.28%0.07531%0.305CS..Hα-helixtrans-59-46.8175.6169.3-115.9000112.1T33 S34 E35 L39 L40 E41 H64 A67 Q68 S71T33-F37 WeakPolarHBondContact O-CB 3.49Å; T33-F37 PolarHBondContact O-N 3.12Å; S34-F37 PolarHBondContact O-N 3.32Å; E35-F37 VanDerWaalsContact C-N 3.3Å; E35-F37 PolarHBondContact O-N 3.34Å; F37-L39 VanDerWaalsContact C-N 3.31Å; F37-L39 PolarHBondContact O-N 3.43Å; F37-L40 PolarHBondContact O-N 2.97Å; F37-E41 HydrophobicContact CE2-CB 4.22Å; F37-E41 HydrophobicContact CE2-CG 4.43Å; F37-E41 HydrophobicContact CZ-CB 4.33Å; F37-E41 HydrophobicContact CZ-CG 4.24Å; F37-E41 VanDerWaalsContact O-CB 3.27Å; F37-E41 WeakPolarHBondContact O-CB 3.45Å; F37-E41 PolarHBondContact O-N 2.88Å; F37-H64 AromaticContact CE2-CE1 3.98Å; F37-H64 AromaticContact CE2-NE2 3.76Å; F37-A67 HydrophobicContact CB-CB 3.87Å; F37-Q68 VanDerWaalsContact CD2-CA 3.45Å; F37-Q68 HydrophobicContact CD2-CB 3.58Å; F37-Q68 HydrophobicContact CD2-CG 4.12Å; F37-Q68 HydrophobicContact CE2-CB 3.45Å; F37-Q68 VanDerWaalsContact CE2-CB 3.45Å; F37-Q68 HydrophobicContact CE2-CG 3.53Å; F37-Q68 HydrophobicContact CG-CB 4.47Å; F37-Q68 HydrophobicContact CZ-CB 4.25Å; F37-Q68 HydrophobicContact CZ-CG 3.86Å; F37-S71 WeakPolarHBondContact CB-OG 3.24Å
38L95.8Very high93.9Very high44 Ų4458 Ų5823%0.2329%0.285CS..Hα-helixtrans-61.8-38.6178.8-68.3177000112.6S34 E35 V36 F42 R76 I79S34-L38 WeakPolarHBondContact O-CG 3.49Å; S34-L38 PolarHBondContact O-N 2.94Å; S34-L38 VanDerWaalsContact O-N 3.1Å; E35-L38 PolarHBondContact O-N 3.1Å; V36-L38 PolarHBondContact O-N 3.41Å; L38-F42 WeakPolarHBondContact O-CB 3.3Å; L38-F42 PolarHBondContact O-N 3.19Å; L38-R76 HydrophobicContact CD1-CG 3.73Å; L38-I79 HydrophobicContact CD1-CD1 3.56Å
39L95.9Very high93.7Very high102 Ų10264 Ų6453%0.53431%0.308SS..Hα-helixtrans-65.5-44176.1-69.3169.9000111.7L31 E35 V36 F37 F42 R43L31-L39 HydrophobicContact CD1-CD1 3.93Å; E35-L39 WeakPolarHBondContact O-CG 3.36Å; E35-L39 PolarHBondContact O-N 2.85Å; V36-L39 PolarHBondContact O-N 3.39Å; F37-L39 VanDerWaalsContact C-N 3.31Å; F37-L39 PolarHBondContact O-N 3.43Å; L39-F42 PolarHBondContact O-N 3.41Å; L39-R43 PolarHBondContact O-N 2.88Å
40L95.5Very high93.4Very high26 Ų2662.3 Ų62.314%0.13630%0.296CS..Hα-helixtrans-68.1-39177.4-66.3172.1000111.8V36 F37 F42 R43 R44 F60 C63 H64 A67V36-L40 HydrophobicContact CG1-CD1 3.82Å; V36-L40 HydrophobicContact CG1-CG 4.34Å; V36-L40 VanDerWaalsContact O-CG 3.27Å; V36-L40 WeakPolarHBondContact O-CG 3.08Å; V36-L40 PolarHBondContact O-N 3.06Å; F37-L40 PolarHBondContact O-N 2.97Å; L40-F42 VanDerWaalsContact C-N 3.35Å; L40-R43 PolarHBondContact O-N 3.45Å; L40-R44 VanDerWaalsContact O-CB 3.27Å; L40-R44 WeakPolarHBondContact O-CB 3.27Å; L40-R44 PolarHBondContact O-N 3.17Å; L40-F60 HydrophobicContact CB-CZ 4.28Å; L40-F60 HydrophobicContact CD2-CD2 4.08Å; L40-F60 HydrophobicContact CD2-CE2 3.55Å; L40-F60 HydrophobicContact CD2-CZ 3.95Å; L40-F60 WeakPolarHBondContact O-CZ 3.24Å; L40-C63 HydrophobicContact CD1-CB 4.28Å; L40-H64 HydrophobicContact CB-CB 4.28Å; L40-H64 HydrophobicContact CD1-CB 4.43Å; L40-A67 HydrophobicContact CD1-CB 4.07Å
41E94.5Very high92.4Very high59 Ų5969.2 Ų69.228%0.27633%0.325SS..Hα-helixtrans-63.9-42.6177-164.9-107.4-16200111F37 R44 K45F37-E41 HydrophobicContact CE2-CB 4.22Å; F37-E41 HydrophobicContact CE2-CG 4.43Å; F37-E41 HydrophobicContact CZ-CB 4.33Å; F37-E41 HydrophobicContact CZ-CG 4.24Å; F37-E41 VanDerWaalsContact O-CB 3.27Å; F37-E41 WeakPolarHBondContact O-CB 3.45Å; F37-E41 PolarHBondContact O-N 2.88Å; E41-R44 PolarHBondContact O-N 3.09Å; E41-K45 VanDerWaalsContact CD-CE 3.43Å; E41-K45 WeakPolarHBondContact O-CG 3.43Å; E41-K45 PolarHBondContact O-N 3.49Å; E41-K45 WeakPolarHBondContact OE1-CE 3.42Å; E41-K45 IonicContact OE1-NZ 2.6Å; E41-K45 PolarHBondContact OE1-NZ 3.33Å; E41-K45 WeakPolarHBondContact OE2-CE 3.39Å; E41-K45 IonicContact OE2-NZ 2.82Å; E41-K45 PolarHBondContact OE2-NZ 2.61Å
42F94Very high91.1Very high122 Ų12268.3 Ų68.354%0.53532%0.319SS..Hα-helixtrans-61.7-50173.7179.9-101.2000112L38 L39 L40 R44 K45 Q46L38-F42 WeakPolarHBondContact O-CB 3.3Å; L38-F42 PolarHBondContact O-N 3.19Å; L39-F42 PolarHBondContact O-N 3.41Å; L40-F42 VanDerWaalsContact C-N 3.35Å; F42-R44 VanDerWaalsContact C-N 3.29Å; F42-R44 PolarHBondContact O-N 3.22Å; F42-K45 PolarHBondContact O-N 3.15Å; F42-Q46 HydrophobicContact CE1-CG 4.15Å; F42-Q46 HydrophobicContact CZ-CG 4.22Å; F42-Q46 VanDerWaalsContact CZ-NE2 3.3Å; F42-Q46 PolarHBondContact O-N 3.44Å; F42-Q46 VanDerWaalsContact O-N 3.12Å
43R92.4Very high89.2Confident92 Ų9272.8 Ų72.835%0.34734%0.342SS..Hα-helixtrans-62.3-38179178.856.1-177.7134.2-1.5112L39 L40 Q46 L47 E50 F60L39-R43 PolarHBondContact O-N 2.88Å; L40-R43 PolarHBondContact O-N 3.45Å; R43-Q46 PolarHBondContact O-N 2.85Å; R43-L47 HydrophobicContact CG-CD1 4.32Å; R43-L47 VanDerWaalsContact CZ-CG 3.45Å; R43-L47 VanDerWaalsContact NH1-CD2 3.34Å; R43-L47 VanDerWaalsContact NH1-CG 3.32Å; R43-L47 PolarHBondContact O-N 3.32Å; R43-L47 VanDerWaalsContact O-N 3.09Å; R43-E50 IonicContact NH1-OE2 3.22Å; R43-E50 PolarHBondContact NH1-OE2 2.87Å; R43-F60 HydrophobicContact CB-CE2 4.23Å; R43-F60 HydrophobicContact CB-CZ 4.15Å; R43-F60 HydrophobicContact CG-CE2 3.92Å; R43-F60 HydrophobicContact CG-CZ 4.14Å
44R91Very high87.6Confident86 Ų8678 Ų7833%0.32537%0.373SS..Hα-helixtrans-60.5-47.1175.5175.9173.7171.6-176.7-1.3111.6L40 E41 F42 Q46 L47 E48 M56 F60L40-R44 VanDerWaalsContact O-CB 3.27Å; L40-R44 WeakPolarHBondContact O-CB 3.27Å; L40-R44 PolarHBondContact O-N 3.17Å; E41-R44 PolarHBondContact O-N 3.09Å; F42-R44 VanDerWaalsContact C-N 3.29Å; F42-R44 PolarHBondContact O-N 3.22Å; R44-Q46 VanDerWaalsContact C-N 3.28Å; R44-Q46 PolarHBondContact O-N 2.84Å; R44-L47 PolarHBondContact O-N 3.23Å; R44-E48 HydrophobicContact CG-CG 4.42Å; R44-E48 IonicContact CZ-OE1 3.41Å; R44-E48 IonicContact NE-OE1 2.78Å; R44-E48 PolarHBondContact NE-OE1 2.98Å; R44-E48 IonicContact NH2-OE1 3.14Å; R44-E48 PolarHBondContact NH2-OE1 3.37Å; R44-E48 VanDerWaalsContact NH2-OE1 3.14Å; R44-E48 WeakPolarHBondContact O-CG 3.41Å; R44-E48 PolarHBondContact O-N 3.44Å; R44-M56 HydrophobicContact CB-CE 4.02Å; R44-M56 HydrophobicContact CG-CE 3.88Å; R44-M56 HydrophobicContact CG-SD 4.18Å; R44-F60 HydrophobicContact CB-CE1 4.13Å; R44-F60 HydrophobicContact CB-CZ 4.32Å
45K91.7Very high86.3Confident93 Ų9384.9 Ų84.940%0.40441%0.406SS..Hα-helixtrans-60.8-37.2177.2-75.8174.3177.4160.40112.7E41 F42 E48 Q49E41-K45 VanDerWaalsContact CD-CE 3.43Å; E41-K45 WeakPolarHBondContact O-CG 3.43Å; E41-K45 PolarHBondContact O-N 3.49Å; E41-K45 WeakPolarHBondContact OE1-CE 3.42Å; E41-K45 IonicContact OE1-NZ 2.6Å; E41-K45 PolarHBondContact OE1-NZ 3.33Å; E41-K45 WeakPolarHBondContact OE2-CE 3.39Å; E41-K45 IonicContact OE2-NZ 2.82Å; E41-K45 PolarHBondContact OE2-NZ 2.61Å; F42-K45 PolarHBondContact O-N 3.15Å; K45-E48 PolarHBondContact O-N 3.42Å; K45-Q49 VanDerWaalsContact O-CG 3.3Å; K45-Q49 WeakPolarHBondContact O-CG 3.27Å; K45-Q49 PolarHBondContact O-N 2.79Å
46Q90.7Very high85.4Confident66 Ų6684 Ų8431%0.30840%0.402SS..Hα-helixtrans-62.8-47.2175-69.1-178.6-4600111.4F42 R43 R44 E48 Q49 E50F42-Q46 HydrophobicContact CE1-CG 4.15Å; F42-Q46 HydrophobicContact CZ-CG 4.22Å; F42-Q46 VanDerWaalsContact CZ-NE2 3.3Å; F42-Q46 PolarHBondContact O-N 3.44Å; F42-Q46 VanDerWaalsContact O-N 3.12Å; R43-Q46 PolarHBondContact O-N 2.85Å; R44-Q46 VanDerWaalsContact C-N 3.28Å; R44-Q46 PolarHBondContact O-N 2.84Å; Q46-E48 VanDerWaalsContact C-N 3.29Å; Q46-E48 PolarHBondContact O-N 3.46Å; Q46-Q49 WeakPolarHBondContact O-CB 3.2Å; Q46-Q49 PolarHBondContact O-N 3.25Å; Q46-Q49 VanDerWaalsContact O-N 3.11Å; Q46-E50 WeakPolarHBondContact O-CG 3.26Å; Q46-E50 PolarHBondContact O-N 2.98Å
47L87.9Confident85Confident14 Ų1485 Ų857%0.07341%0.411CS..Hα-helixtrans-61.2-37.9176.2-73.5168.7000112.7R43 R44 Q49 E50 E51 E52 M56R43-L47 HydrophobicContact CG-CD1 4.32Å; R43-L47 VanDerWaalsContact CZ-CG 3.45Å; R43-L47 VanDerWaalsContact NH1-CD2 3.34Å; R43-L47 VanDerWaalsContact NH1-CG 3.32Å; R43-L47 PolarHBondContact O-N 3.32Å; R43-L47 VanDerWaalsContact O-N 3.09Å; R44-L47 PolarHBondContact O-N 3.23Å; L47-Q49 VanDerWaalsContact C-N 3.31Å; L47-E50 PolarHBondContact O-N 3.39Å; L47-E51 PolarHBondContact O-N 3.3Å; L47-E52 HydrophobicContact CD2-CB 4.08Å; L47-E52 PolarHBondContact O-N 2.9Å; L47-M56 HydrophobicContact CB-CG 4.42Å; L47-M56 HydrophobicContact CB-SD 4.29Å; L47-M56 HydrophobicContact CD1-CE 3.9Å; L47-M56 HydrophobicContact CD1-CG 3.83Å; L47-M56 HydrophobicContact CD1-SD 4.16Å
48E87.2Confident84.7Confident74 Ų7490.4 Ų90.435%0.34644%0.437SS..Hα-helixtrans-66.4-32.6175.9-71.9172.2174.600112.4R44 K45 Q46 I53R44-E48 HydrophobicContact CG-CG 4.42Å; R44-E48 IonicContact CZ-OE1 3.41Å; R44-E48 IonicContact NE-OE1 2.78Å; R44-E48 PolarHBondContact NE-OE1 2.98Å; R44-E48 IonicContact NH2-OE1 3.14Å; R44-E48 PolarHBondContact NH2-OE1 3.37Å; R44-E48 VanDerWaalsContact NH2-OE1 3.14Å; R44-E48 WeakPolarHBondContact O-CG 3.41Å; R44-E48 PolarHBondContact O-N 3.44Å; K45-E48 PolarHBondContact O-N 3.42Å; Q46-E48 VanDerWaalsContact C-N 3.29Å; Q46-E48 PolarHBondContact O-N 3.46Å; E48-I53 HydrophobicContact CB-CD1 4.1Å; E48-I53 HydrophobicContact CB-CG1 4.2Å; E48-I53 HydrophobicContact CG-CD1 3.82Å; E48-I53 HydrophobicContact CG-CG1 3.85Å
49Q87.3Confident84.6Confident159 Ų15993.8 Ų93.874%0.74346%0.459SS*.Hα-helixtrans-76.9-31.2175.3-72.7172.9200113.2K45 Q46 L47 E51K45-Q49 VanDerWaalsContact O-CG 3.3Å; K45-Q49 WeakPolarHBondContact O-CG 3.27Å; K45-Q49 PolarHBondContact O-N 2.79Å; Q46-Q49 WeakPolarHBondContact O-CB 3.2Å; Q46-Q49 PolarHBondContact O-N 3.25Å; Q46-Q49 VanDerWaalsContact O-N 3.11Å; L47-Q49 VanDerWaalsContact C-N 3.31Å; Q49-E51 PolarHBondContact O-N 3Å
50E85.8Confident84.5Confident102 Ų10290.8 Ų90.848%0.47744%0.441SS..THydrogen-bonded Turntrans-77.5-0.9178.5-70.4165.4168.200112.4R43 Q46 L47 E52R43-E50 IonicContact NH1-OE2 3.22Å; R43-E50 PolarHBondContact NH1-OE2 2.87Å; Q46-E50 WeakPolarHBondContact O-CG 3.26Å; Q46-E50 PolarHBondContact O-N 2.98Å; L47-E50 PolarHBondContact O-N 3.39Å; E50-E52 HydrophobicContact CB-CB 4.36Å; E50-E52 HydrophobicContact CB-CG 4.06Å; E50-E52 PolarHBondContact O-N 3.2Å; E50-E52 VanDerWaalsContact O-N 3.12Å
51E73.4Confident84.3Confident178 Ų17893.1 Ų93.183%0.83245%0.454SS*.THydrogen-bonded Turntrans57.713.9-170.8-60.4-173.8173.300113.9L47 Q49 I53L47-E51 PolarHBondContact O-N 3.3Å; Q49-E51 PolarHBondContact O-N 3Å; E51-I53 PolarHBondContact O-N 3.47Å
52E68.3Low84.4Confident79 Ų7995.2 Ų95.237%0.36946%0.462SS..  trans-84.518.3178.9-69.2-176.7-177.200112.9L47 E50 T54 E55L47-E52 HydrophobicContact CD2-CB 4.08Å; L47-E52 PolarHBondContact O-N 2.9Å; E50-E52 HydrophobicContact CB-CB 4.36Å; E50-E52 HydrophobicContact CB-CG 4.06Å; E50-E52 PolarHBondContact O-N 3.2Å; E50-E52 VanDerWaalsContact O-N 3.12Å; E52-T54 PolarHBondContact O-N 3.08Å; E52-T54 VanDerWaalsContact O-N 3.1Å; E52-E55 WeakPolarHBondContact O-CB 3.34Å; E52-E55 PolarHBondContact O-N 3.1Å
53I58Low84.5Confident93 Ų9392.1 Ų92.148%0.47746%0.455SS..G310 helixtrans-54.8-37-175.3-61.8176.2000112.1E48 E51 E55 M56E48-I53 HydrophobicContact CB-CD1 4.1Å; E48-I53 HydrophobicContact CB-CG1 4.2Å; E48-I53 HydrophobicContact CG-CD1 3.82Å; E48-I53 HydrophobicContact CG-CG1 3.85Å; E51-I53 PolarHBondContact O-N 3.47Å; I53-E55 PolarHBondContact O-N 3Å; I53-M56 PolarHBondContact O-N 3.05Å
54T62.6Low84.6Confident143 Ų14388.1 Ų88.188%0.87744%0.44SS*.G310 helixtrans-60.9-17.6179.6-43.80000112.3E52E52-T54 PolarHBondContact O-N 3.08Å; E52-T54 VanDerWaalsContact O-N 3.1Å
55E70Confident84.8Confident146 Ų14686.5 Ų86.568%0.68244%0.442SS*.G310 helixtrans-96.4-0.7-175.9-53.1-163.1167.400114.3E52 I53 S57E52-E55 WeakPolarHBondContact O-CB 3.34Å; E52-E55 PolarHBondContact O-N 3.1Å; I53-E55 PolarHBondContact O-N 3Å; E55-S57 PolarHBondContact O-N 2.69Å
56M78.5Confident85.1Confident23 Ų2387.9 Ų87.911%0.11345%0.445CS..  trans-68112.7179.6-63.1-166.87000111.2R44 L47 I53 F60 L61R44-M56 HydrophobicContact CB-CE 4.02Å; R44-M56 HydrophobicContact CG-CE 3.88Å; R44-M56 HydrophobicContact CG-SD 4.18Å; L47-M56 HydrophobicContact CB-CG 4.42Å; L47-M56 HydrophobicContact CB-SD 4.29Å; L47-M56 HydrophobicContact CD1-CE 3.9Å; L47-M56 HydrophobicContact CD1-CG 3.83Å; L47-M56 HydrophobicContact CD1-SD 4.16Å; I53-M56 PolarHBondContact O-N 3.05Å; M56-F60 HydrophobicContact CE-CD1 3.14Å; M56-F60 HydrophobicContact CE-CE1 3Å; M56-F60 HydrophobicContact CE-CG 4.17Å; M56-F60 HydrophobicContact CE-CZ 3.92Å; M56-L61 HydrophobicContact CB-CD1 4.41Å; M56-L61 HydrophobicContact CB-CD2 4.13Å; M56-L61 HydrophobicContact CB-CG 4.17Å; M56-L61 HydrophobicContact CE-CD2 3.88Å; M56-L61 HydrophobicContact SD-CD2 4.15Å
57S88.1Confident85.4Confident68 Ų6885 Ų8548%0.47643%0.433SS..  trans-57.7143.6177.872.80000112E55 V59 F60 L61E55-S57 PolarHBondContact O-N 2.69Å; S57-V59 PolarHBondContact O-N 3.47Å; S57-V59 VanDerWaalsContact O-N 3.16Å; S57-F60 WeakPolarHBondContact O-CB 3.07Å; S57-F60 PolarHBondContact O-N 3.16Å; S57-F60 WeakPolarHBondContact OG-CB 3.4Å; S57-F60 PolarHBondContact OG-N 3.46Å; S57-F60 VanDerWaalsContact OG-N 3.17Å; S57-L61 PolarHBondContact O-N 3.05Å
58E91.2Very high85.8Confident130 Ų13088.5 Ų88.561%0.60745%0.449SS*.Hα-helixtrans-55.5-34.7176.1-170.9-173.3173.200111.9L61 K62E58-L61 PolarHBondContact O-N 3.44Å; E58-K62 HydrophobicContact CG-CD 4.23Å; E58-K62 WeakPolarHBondContact O-CB 3.07Å; E58-K62 VanDerWaalsContact O-CG 3.3Å; E58-K62 WeakPolarHBondContact O-CG 3.35Å; E58-K62 PolarHBondContact O-N 3.12Å; E58-K62 WeakPolarHBondContact OE1-CE 3.48Å; E58-K62 IonicContact OE1-NZ 2.61Å; E58-K62 PolarHBondContact OE1-NZ 3.32Å
59V93.2Very high86.2Confident114 Ų11492.9 Ų92.969%0.69146%0.462SS*.Hα-helixtrans-63.5-43.8176179.70000111S57 K62 C63S57-V59 PolarHBondContact O-N 3.47Å; S57-V59 VanDerWaalsContact O-N 3.16Å; V59-K62 PolarHBondContact O-N 2.89Å; V59-C63 VanDerWaalsContact O-CB 3.26Å; V59-C63 WeakPolarHBondContact O-CB 3.27Å; V59-C63 PolarHBondContact O-N 3.41Å
60F93Very high86.6Confident39 Ų3990.4 Ų90.417%0.17145%0.452CS..Hα-helixtrans-61.2-49.5175.4-179.1-77.3000110.9L40 R43 R44 M56 S57 K62 C63 H64L40-F60 HydrophobicContact CB-CZ 4.28Å; L40-F60 HydrophobicContact CD2-CD2 4.08Å; L40-F60 HydrophobicContact CD2-CE2 3.55Å; L40-F60 HydrophobicContact CD2-CZ 3.95Å; L40-F60 WeakPolarHBondContact O-CZ 3.24Å; R43-F60 HydrophobicContact CB-CE2 4.23Å; R43-F60 HydrophobicContact CB-CZ 4.15Å; R43-F60 HydrophobicContact CG-CE2 3.92Å; R43-F60 HydrophobicContact CG-CZ 4.14Å; R44-F60 HydrophobicContact CB-CE1 4.13Å; R44-F60 HydrophobicContact CB-CZ 4.32Å; M56-F60 HydrophobicContact CE-CD1 3.14Å; M56-F60 HydrophobicContact CE-CE1 3Å; M56-F60 HydrophobicContact CE-CG 4.17Å; M56-F60 HydrophobicContact CE-CZ 3.92Å; S57-F60 WeakPolarHBondContact O-CB 3.07Å; S57-F60 PolarHBondContact O-N 3.16Å; S57-F60 WeakPolarHBondContact OG-CB 3.4Å; S57-F60 PolarHBondContact OG-N 3.46Å; S57-F60 VanDerWaalsContact OG-N 3.17Å; F60-K62 VanDerWaalsContact C-N 3.31Å; F60-K62 PolarHBondContact O-N 3.41Å; F60-C63 PolarHBondContact O-N 2.98Å; F60-C63 VanDerWaalsContact O-N 3.17Å; F60-H64 HydrophobicContact CE1-CB 4.29Å; F60-H64 WeakPolarHBondContact O-CB 3.36Å; F60-H64 PolarHBondContact O-N 3.32Å
61L92.3Very high87.1Confident76 Ų7686.2 Ų86.240%0.39843%0.434SS..Hα-helixtrans-61.5-41.1-178.2-67.5175.3000111.8M56 S57 E58 S65M56-L61 HydrophobicContact CB-CD1 4.41Å; M56-L61 HydrophobicContact CB-CD2 4.13Å; M56-L61 HydrophobicContact CB-CG 4.17Å; M56-L61 HydrophobicContact CE-CD2 3.88Å; M56-L61 HydrophobicContact SD-CD2 4.15Å; S57-L61 PolarHBondContact O-N 3.05Å; E58-L61 PolarHBondContact O-N 3.44Å; L61-S65 WeakPolarHBondContact O-CB 3.39Å; L61-S65 PolarHBondContact O-N 3.5Å
62K95.8Very high88.1Confident102 Ų10282 Ų8244%0.44341%0.413SS..Hα-helixtrans-62.3-50.7172.6-75.8175.5-178.4170.80110.9E58 V59 F60 H64 S65 Y66E58-K62 HydrophobicContact CG-CD 4.23Å; E58-K62 WeakPolarHBondContact O-CB 3.07Å; E58-K62 VanDerWaalsContact O-CG 3.3Å; E58-K62 WeakPolarHBondContact O-CG 3.35Å; E58-K62 PolarHBondContact O-N 3.12Å; E58-K62 WeakPolarHBondContact OE1-CE 3.48Å; E58-K62 IonicContact OE1-NZ 2.61Å; E58-K62 PolarHBondContact OE1-NZ 3.32Å; V59-K62 PolarHBondContact O-N 2.89Å; F60-K62 VanDerWaalsContact C-N 3.31Å; F60-K62 PolarHBondContact O-N 3.41Å; K62-H64 VanDerWaalsContact C-N 3.33Å; K62-H64 PolarHBondContact O-N 3.49Å; K62-S65 WeakPolarHBondContact O-CB 3.31Å; K62-S65 PolarHBondContact O-N 3.06Å; K62-Y66 HydrophobicContact CB-CD2 4.31Å; K62-Y66 HydrophobicContact CB-CE2 4.19Å; K62-Y66 WeakPolarHBondContact O-CD2 3.31Å; K62-Y66 PolarHBondContact O-N 2.83Å
63C95.8Very high89.3Confident57 Ų5778.2 Ų78.239%0.38540%0.395SS..Hα-helixtrans-56.4-47179.6-1700000111.6L40 V59 F60 S65 Y66 A67L40-C63 HydrophobicContact CD1-CB 4.28Å; V59-C63 VanDerWaalsContact O-CB 3.26Å; V59-C63 WeakPolarHBondContact O-CB 3.27Å; V59-C63 PolarHBondContact O-N 3.41Å; F60-C63 PolarHBondContact O-N 2.98Å; F60-C63 VanDerWaalsContact O-N 3.17Å; C63-S65 VanDerWaalsContact C-N 3.35Å; C63-S65 PolarHBondContact O-N 3.08Å; C63-Y66 PolarHBondContact O-N 2.79Å; C63-A67 WeakPolarHBondContact O-CB 3.35Å; C63-A67 PolarHBondContact O-N 2.86Å
64H94.9Very high90.7Very high9 Ų982.4 Ų82.44%0.04241%0.405CS..Hα-helixtrans-56.9-47.6173.6173.8-76.3000111.3F37 L40 F60 K62 A67 Q68F37-H64 AromaticContact CE2-CE1 3.98Å; F37-H64 AromaticContact CE2-NE2 3.76Å; L40-H64 HydrophobicContact CB-CB 4.28Å; L40-H64 HydrophobicContact CD1-CB 4.43Å; F60-H64 HydrophobicContact CE1-CB 4.29Å; F60-H64 WeakPolarHBondContact O-CB 3.36Å; F60-H64 PolarHBondContact O-N 3.32Å; K62-H64 VanDerWaalsContact C-N 3.33Å; K62-H64 PolarHBondContact O-N 3.49Å; H64-A67 PolarHBondContact O-N 3.05Å; H64-Q68 VanDerWaalsContact O-CB 3.24Å; H64-Q68 WeakPolarHBondContact O-CB 3.35Å; H64-Q68 PolarHBondContact O-N 3.13Å
65S95.6Very high92.1Very high52 Ų5278.1 Ų78.136%0.36438%0.377SS..Hα-helixtrans-63.6-41.2179.2-175.80000113.2L61 K62 C63 R69L61-S65 WeakPolarHBondContact O-CB 3.39Å; L61-S65 PolarHBondContact O-N 3.5Å; K62-S65 WeakPolarHBondContact O-CB 3.31Å; K62-S65 PolarHBondContact O-N 3.06Å; C63-S65 VanDerWaalsContact C-N 3.35Å; C63-S65 PolarHBondContact O-N 3.08Å; S65-R69 WeakPolarHBondContact O-CG 3.36Å; S65-R69 PolarHBondContact O-N 2.81Å; S65-R69 VanDerWaalsContact O-N 3.1Å
66Y97.3Very high93.2Very high122 Ų12279.7 Ų79.748%0.47838%0.377SS..Hα-helixtrans-64.8-49.9175.1-77.7-73.6000111.2K62 C63 Q68 R69 M70K62-Y66 HydrophobicContact CB-CD2 4.31Å; K62-Y66 HydrophobicContact CB-CE2 4.19Å; K62-Y66 WeakPolarHBondContact O-CD2 3.31Å; K62-Y66 PolarHBondContact O-N 2.83Å; C63-Y66 PolarHBondContact O-N 2.79Å; Y66-Q68 VanDerWaalsContact C-N 3.32Å; Y66-Q68 PolarHBondContact O-N 2.86Å; Y66-R69 PolarHBondContact O-N 3.38Å; Y66-M70 HydrophobicContact CD1-CE 4.39Å; Y66-M70 WeakPolarHBondContact O-CB 3.45Å; Y66-M70 WeakPolarHBondContact O-CG 3.37Å; Y66-M70 PolarHBondContact O-N 3.37Å
67A96.8Very high94Very high6 Ų683.1 Ų83.15%0.0540%0.395CS..Hα-helixtrans-59.8-43178.200000111.3T33 V36 F37 L40 C63 H64 R69 M70 S71T33-A67 HydrophobicContact CG2-CB 4.36Å; V36-A67 HydrophobicContact CG1-CB 4.27Å; F37-A67 HydrophobicContact CB-CB 3.87Å; L40-A67 HydrophobicContact CD1-CB 4.07Å; C63-A67 WeakPolarHBondContact O-CB 3.35Å; C63-A67 PolarHBondContact O-N 2.86Å; H64-A67 PolarHBondContact O-N 3.05Å; A67-R69 PolarHBondContact O-N 2.94Å; A67-M70 PolarHBondContact O-N 2.97Å; A67-S71 VanDerWaalsContact O-CB 3.31Å; A67-S71 WeakPolarHBondContact O-CB 3.48Å; A67-S71 PolarHBondContact O-N 2.89Å; A67-S71 PolarHBondContact O-OG 3.46Å
68Q96.3Very high94.3Very high87 Ų8780.5 Ų80.541%0.40738%0.377SS..Hα-helixtrans-59.6-42.7176.4-173.817619.500112.7F37 H64 Y66F37-Q68 VanDerWaalsContact CD2-CA 3.45Å; F37-Q68 HydrophobicContact CD2-CB 3.58Å; F37-Q68 HydrophobicContact CD2-CG 4.12Å; F37-Q68 HydrophobicContact CE2-CB 3.45Å; F37-Q68 VanDerWaalsContact CE2-CB 3.45Å; F37-Q68 HydrophobicContact CE2-CG 3.53Å; F37-Q68 HydrophobicContact CG-CB 4.47Å; F37-Q68 HydrophobicContact CZ-CB 4.25Å; F37-Q68 HydrophobicContact CZ-CG 3.86Å; H64-Q68 VanDerWaalsContact O-CB 3.24Å; H64-Q68 WeakPolarHBondContact O-CB 3.35Å; H64-Q68 PolarHBondContact O-N 3.13Å; Y66-Q68 VanDerWaalsContact C-N 3.32Å; Y66-Q68 PolarHBondContact O-N 2.86Å
69R96.1Very high94.5Very high165 Ų16574.6 Ų74.662%0.62335%0.349SS*.Hα-helixtrans-72-35.7179.5-76.1-171.8-60.9150.5-1.7113S65 Y66 A67S65-R69 WeakPolarHBondContact O-CG 3.36Å; S65-R69 PolarHBondContact O-N 2.81Å; S65-R69 VanDerWaalsContact O-N 3.1Å; Y66-R69 PolarHBondContact O-N 3.38Å; A67-R69 PolarHBondContact O-N 2.94Å
70M96Very high94.6Very high107 Ų10775.1 Ų75.153%0.52734%0.338SS..Hα-helixtrans-88.6-18.9-175.3-70.1175.3170.500113T33 Y66 A67 K72T33-M70 HydrophobicContact CG2-CB 3.63Å; Y66-M70 HydrophobicContact CD1-CE 4.39Å; Y66-M70 WeakPolarHBondContact O-CB 3.45Å; Y66-M70 WeakPolarHBondContact O-CG 3.37Å; Y66-M70 PolarHBondContact O-N 3.37Å; A67-M70 PolarHBondContact O-N 2.97Å; M70-K72 PolarHBondContact O-N 2.95Å; M70-K72 VanDerWaalsContact O-N 3.15Å
71S95.5Very high94.7Very high15 Ų1575.7 Ų75.711%0.10535%0.346CS..  trans-55.4115.9174.6-68.40000111.9T33 S34 F37 A67T33-S71 PolarHBondContact O-OG 3.11Å; S34-S71 WeakPolarHBondContact CA-OG 3.28Å; F37-S71 WeakPolarHBondContact CB-OG 3.24Å; A67-S71 VanDerWaalsContact O-CB 3.31Å; A67-S71 WeakPolarHBondContact O-CB 3.48Å; A67-S71 PolarHBondContact O-N 2.89Å; A67-S71 PolarHBondContact O-OG 3.46Å
72K94Very high94.9Very high89 Ų8972.1 Ų72.139%0.38733%0.327SS..SBendtrans-84.7-17.3173.4-54.8-58.7-176.1170.50112.8S34 M70 N101 Q140S34-K72 PolarHBondContact OG-N 3.34Å; M70-K72 PolarHBondContact O-N 2.95Å; M70-K72 VanDerWaalsContact O-N 3.15Å; K72-N101 WeakPolarHBondContact CE-O 3.45Å; K72-N101 VanDerWaalsContact CG-O 3.24Å; K72-N101 WeakPolarHBondContact CG-O 3.3Å; K72-Q140 PolarHBondContact O-NE2 2.83Å
73F94.3Very high94.9Very high0 Ų070.1 Ų70.10%032%0.316CS..  trans-129.9136.9-179.5-47.6-76.4000110.2S34 T78 I79 V82 A100 M133 R137S34-F73 WeakPolarHBondContact CB-O 3.48Å; S34-F73 PolarHBondContact OG-N 3.2Å; S34-F73 VanDerWaalsContact OG-N 3.08Å; S34-F73 PolarHBondContact OG-O 3.47Å; F73-T78 HydrophobicContact CD1-CG2 3.7Å; F73-T78 HydrophobicContact CE1-CG2 4.32Å; F73-I79 HydrophobicContact CB-CD1 4.24Å; F73-I79 HydrophobicContact CB-CG1 3.51Å; F73-I79 HydrophobicContact CG-CG1 4.34Å; F73-V82 HydrophobicContact CD1-CG2 4.34Å; F73-V82 HydrophobicContact CE1-CG2 3.74Å; F73-V82 HydrophobicContact CE2-CG1 4.14Å; F73-V82 HydrophobicContact CZ-CB 4.39Å; F73-V82 HydrophobicContact CZ-CG1 3.97Å; F73-V82 HydrophobicContact CZ-CG2 3.87Å; F73-A100 HydrophobicContact CE2-CB 4.24Å; F73-A100 WeakPolarHBondContact CE2-O 3.37Å; F73-M133 HydrophobicContact CZ-CG 4.33Å; F73-R137 HydrophobicContact CD1-CB 4.38Å; F73-R137 HydrophobicContact CD1-CG 4.05Å; F73-R137 HydrophobicContact CE1-CB 3.8Å; F73-R137 HydrophobicContact CE1-CG 3.73Å
74R88Confident94.9Very high181 Ų18173 Ų7368%0.68332%0.324SS*.  trans-113.4-27.4176.6-63.7-177.1-179.4171.61.3111.8
75N91.9Very high95Very high53 Ų5373.7 Ų73.728%0.28333%0.328SS..  trans-86.3128.7-179.4-173-41.9000110.9D77 T78 I79 Q140N75-D77 VanDerWaalsContact C-N 3.31Å; N75-D77 PolarHBondContact O-N 3.27Å; N75-D77 WeakPolarHBondContact OD1-CB 3.45Å; N75-D77 PolarHBondContact OD1-N 3.1Å; N75-T78 PolarHBondContact O-N 3.31Å; N75-T78 PolarHBondContact OD1-N 2.91Å; N75-I79 WeakPolarHBondContact O-CG1 3.32Å; N75-I79 PolarHBondContact O-N 2.92Å; N75-Q140 HydrophobicContact CB-CB 3.78Å
76R93.1Very high95Very high179 Ų17971.2 Ų71.268%0.67531%0.311SS*.Hα-helixtrans-62.3-36.1-179.8-68.5-178.271.9169.93113L38 R80L38-R76 HydrophobicContact CD1-CG 3.73Å; R76-R80 PolarHBondContact O-N 3.12Å
77D94.7Very high94.9Very high94 Ų9469.1 Ų69.150%0.50331%0.314SS..Hα-helixtrans-71.6-42.8178.6-63.7-43.5000110.4N75 I79 R80 T81N75-D77 VanDerWaalsContact C-N 3.31Å; N75-D77 PolarHBondContact O-N 3.27Å; N75-D77 WeakPolarHBondContact OD1-CB 3.45Å; N75-D77 PolarHBondContact OD1-N 3.1Å; D77-I79 VanDerWaalsContact C-N 3.34Å; D77-I79 PolarHBondContact O-N 3.31Å; D77-R80 PolarHBondContact O-N 3.33Å; D77-R80 VanDerWaalsContact O-N 3.14Å; D77-R80 IonicContact OD1-CZ 3.64Å; D77-R80 IonicContact OD1-NH1 3.99Å; D77-R80 PolarHBondContact OD1-NH1 3.18Å; D77-T81 PolarHBondContact O-N 2.99Å; D77-T81 PolarHBondContact O-OG1 3.33Å
78T94.7Very high94.9Very high14 Ų1473.3 Ų73.39%0.08634%0.339CS..Hα-helixtrans-57.9-45.5172.8-54.70000111.7F73 N75 R80 T81 V82 K136 Q140F73-T78 HydrophobicContact CD1-CG2 3.7Å; F73-T78 HydrophobicContact CE1-CG2 4.32Å; N75-T78 PolarHBondContact O-N 3.31Å; N75-T78 PolarHBondContact OD1-N 2.91Å; T78-R80 VanDerWaalsContact C-N 3.34Å; T78-R80 PolarHBondContact O-N 2.73Å; T78-T81 PolarHBondContact O-N 3.14Å; T78-V82 HydrophobicContact CG2-CG2 4.37Å; T78-V82 WeakPolarHBondContact O-CB 3.2Å; T78-V82 VanDerWaalsContact O-CG2 3.31Å; T78-V82 WeakPolarHBondContact O-CG2 3.29Å; T78-V82 PolarHBondContact O-N 3Å; T78-K136 WeakPolarHBondContact CG2-O 3.27Å; T78-Q140 HydrophobicContact CG2-CB 4.26Å; T78-Q140 VanDerWaalsContact OG1-CB 3.31Å; T78-Q140 WeakPolarHBondContact OG1-CB 3.3Å
79I95.7Very high94.8Very high6 Ų671.7 Ų71.73%0.03133%0.331CS..Hα-helixtrans-55.6-49.6174.9-72.7165.4000110.7L32 E35 L38 F73 N75 D77 T81 V82 R83L32-I79 HydrophobicContact CD1-CG2 4.09Å; E35-I79 HydrophobicContact CG-CG2 3.77Å; L38-I79 HydrophobicContact CD1-CD1 3.56Å; F73-I79 HydrophobicContact CB-CD1 4.24Å; F73-I79 HydrophobicContact CB-CG1 3.51Å; F73-I79 HydrophobicContact CG-CG1 4.34Å; N75-I79 WeakPolarHBondContact O-CG1 3.32Å; N75-I79 PolarHBondContact O-N 2.92Å; D77-I79 VanDerWaalsContact C-N 3.34Å; D77-I79 PolarHBondContact O-N 3.31Å; I79-T81 PolarHBondContact O-N 2.87Å; I79-V82 PolarHBondContact O-N 3.41Å; I79-R83 WeakPolarHBondContact O-CG 3.18Å; I79-R83 PolarHBondContact O-N 3.06Å
80R95.4Very high94.7Very high124 Ų12469.2 Ų69.247%0.46834%0.336SS..Hα-helixtrans-61.8-44.8180-168.5-174.8-59.7112.91.2111.6R76 D77 T78 R83 Q84R76-R80 PolarHBondContact O-N 3.12Å; D77-R80 PolarHBondContact O-N 3.33Å; D77-R80 VanDerWaalsContact O-N 3.14Å; D77-R80 IonicContact OD1-CZ 3.64Å; D77-R80 IonicContact OD1-NH1 3.99Å; D77-R80 PolarHBondContact OD1-NH1 3.18Å; T78-R80 VanDerWaalsContact C-N 3.34Å; T78-R80 PolarHBondContact O-N 2.73Å; R80-R83 PolarHBondContact O-N 2.87Å; R80-Q84 WeakPolarHBondContact O-CG 3.25Å; R80-Q84 PolarHBondContact O-N 3.35Å
81T95.3Very high94.7Very high52 Ų5265 Ų6532%0.31932%0.315SS..Hα-helixtrans-66.4-37.9179.7-51.20000111.9D77 T78 I79 Q84 L85 K136D77-T81 PolarHBondContact O-N 2.99Å; D77-T81 PolarHBondContact O-OG1 3.33Å; T78-T81 PolarHBondContact O-N 3.14Å; I79-T81 PolarHBondContact O-N 2.87Å; T81-Q84 PolarHBondContact O-N 3.47Å; T81-L85 WeakPolarHBondContact O-CB 3.36Å; T81-L85 PolarHBondContact O-N 3.21Å; T81-K136 HydrophobicContact CG2-CD 3.63Å; T81-K136 HydrophobicContact CG2-CG 4.41Å
82V95.7Very high94.7Very high0 Ų067.4 Ų67.40%032%0.324CS..Hα-helixtrans-65.4-43.1174.9169.80000110.9F73 T78 I79 Q84 L85 L86 A100 M133 K136F73-V82 HydrophobicContact CD1-CG2 4.34Å; F73-V82 HydrophobicContact CE1-CG2 3.74Å; F73-V82 HydrophobicContact CE2-CG1 4.14Å; F73-V82 HydrophobicContact CZ-CB 4.39Å; F73-V82 HydrophobicContact CZ-CG1 3.97Å; F73-V82 HydrophobicContact CZ-CG2 3.87Å; T78-V82 HydrophobicContact CG2-CG2 4.37Å; T78-V82 WeakPolarHBondContact O-CB 3.2Å; T78-V82 VanDerWaalsContact O-CG2 3.31Å; T78-V82 WeakPolarHBondContact O-CG2 3.29Å; T78-V82 PolarHBondContact O-N 3Å; I79-V82 PolarHBondContact O-N 3.41Å; V82-Q84 VanDerWaalsContact C-N 3.34Å; V82-Q84 PolarHBondContact O-N 2.88Å; V82-L85 PolarHBondContact O-N 2.76Å; V82-L86 HydrophobicContact CG1-CD1 4.01Å; V82-L86 HydrophobicContact CG1-CG 4.49Å; V82-L86 WeakPolarHBondContact O-CG 3.06Å; V82-L86 PolarHBondContact O-N 2.92Å; V82-A100 HydrophobicContact CG1-CB 4.09Å; V82-M133 HydrophobicContact CG1-CG 4.03Å; V82-M133 HydrophobicContact CG1-SD 4.04Å; V82-M133 HydrophobicContact CG2-CG 4.24Å; V82-K136 HydrophobicContact CG2-CB 4.29Å; V82-K136 HydrophobicContact CG2-CD 4.42Å
83R95.7Very high94.8Very high60 Ų6066.7 Ų66.723%0.22632%0.321CS..Hα-helixtrans-58.7-46.9173.7-70.5-169.274.4107.36.3111.5T30 L32 E35 I79 R80 L85 L86 S87T30-R83 PolarHBondContact O-NH1 3.3Å; T30-R83 PolarHBondContact O-NH2 2.99Å; L32-R83 HydrophobicContact CD1-CG 4.15Å; E35-R83 IonicContact OE1-NH1 3.32Å; E35-R83 IonicContact OE2-CZ 2.68Å; E35-R83 IonicContact OE2-NH1 3.76Å; E35-R83 PolarHBondContact OE2-NH1 2.91Å; I79-R83 WeakPolarHBondContact O-CG 3.18Å; I79-R83 PolarHBondContact O-N 3.06Å; R80-R83 PolarHBondContact O-N 2.87Å; R83-L85 PolarHBondContact O-N 2.93Å; R83-L86 PolarHBondContact O-N 3.4Å; R83-S87 WeakPolarHBondContact O-CB 3.29Å; R83-S87 PolarHBondContact O-N 3.07Å; R83-S87 PolarHBondContact O-OG 3.06Å
84Q96.3Very high94.9Very high118 Ų11868.9 Ų68.955%0.55133%0.331SS*.Hα-helixtrans-60.9-43.3177.4-74.4173.4-19.500112.6R80 T81 V82 S87 T88R80-Q84 WeakPolarHBondContact O-CG 3.25Å; R80-Q84 PolarHBondContact O-N 3.35Å; T81-Q84 PolarHBondContact O-N 3.47Å; V82-Q84 VanDerWaalsContact C-N 3.34Å; V82-Q84 PolarHBondContact O-N 2.88Å; Q84-S87 PolarHBondContact O-N 3.29Å; Q84-T88 WeakPolarHBondContact O-CG2 3.49Å; Q84-T88 PolarHBondContact O-N 3.43Å
85L96.3Very high95.3Very high23 Ų2360.3 Ų60.312%0.1230%0.298CS..Hα-helixtrans-58.2-51.2176.7176.868.4000110.8T81 V82 R83 S87 T88 L129 D132 M133 K136T81-L85 WeakPolarHBondContact O-CB 3.36Å; T81-L85 PolarHBondContact O-N 3.21Å; V82-L85 PolarHBondContact O-N 2.76Å; R83-L85 PolarHBondContact O-N 2.93Å; L85-S87 VanDerWaalsContact C-N 3.3Å; L85-S87 PolarHBondContact O-N 3.32Å; L85-T88 WeakPolarHBondContact O-CB 3.48Å; L85-T88 WeakPolarHBondContact O-CG2 3.31Å; L85-T88 PolarHBondContact O-N 3.43Å; L85-T88 VanDerWaalsContact O-N 3.14Å; L85-T88 PolarHBondContact O-OG1 3.44Å; L85-L129 HydrophobicContact CD1-CD1 3.81Å; L85-L129 HydrophobicContact CD2-CD1 4.28Å; L85-L129 HydrophobicContact CG-CD1 3.71Å; L85-D132 HydrophobicContact CD1-CB 4.12Å; L85-D132 HydrophobicContact CD2-CB 3.79Å; L85-M133 HydrophobicContact CD2-CB 3.94Å; L85-K136 HydrophobicContact CD2-CD 4.12Å
86L96.7Very high95.5Very high1 Ų158.5 Ų58.51%0.00529%0.288CS..Hα-helixtrans-68.6-29.2-178.8-65.3174.8000112.6V82 R83 T88 K89 M96 L99 A100 L129 M133V82-L86 HydrophobicContact CG1-CD1 4.01Å; V82-L86 HydrophobicContact CG1-CG 4.49Å; V82-L86 WeakPolarHBondContact O-CG 3.06Å; V82-L86 PolarHBondContact O-N 2.92Å; R83-L86 PolarHBondContact O-N 3.4Å; L86-T88 PolarHBondContact O-N 3.12Å; L86-K89 PolarHBondContact O-N 2.84Å; L86-M96 HydrophobicContact CB-CB 4.37Å; L86-M96 HydrophobicContact CB-CE 3.98Å; L86-M96 HydrophobicContact CB-CG 4.24Å; L86-M96 WeakPolarHBondContact CD1-O 3.37Å; L86-L99 HydrophobicContact CD1-CB 4.34Å; L86-L99 HydrophobicContact CD2-CB 4.33Å; L86-L99 HydrophobicContact CD2-CD1 4.12Å; L86-A100 HydrophobicContact CD1-CB 3.8Å; L86-L129 HydrophobicContact CD2-CD2 3.87Å; L86-L129 HydrophobicContact CD2-CG 4.21Å; L86-M133 HydrophobicContact CD1-SD 4.41Å
87S95.3Very high95.7Very high78 Ų7850.3 Ų50.355%0.54526%0.258SS..THydrogen-bonded Turntrans-68.5-9.4173.8-69.50000114.1R83 Q84 L85 K89 M96R83-S87 WeakPolarHBondContact O-CB 3.29Å; R83-S87 PolarHBondContact O-N 3.07Å; R83-S87 PolarHBondContact O-OG 3.06Å; Q84-S87 PolarHBondContact O-N 3.29Å; L85-S87 VanDerWaalsContact C-N 3.3Å; L85-S87 PolarHBondContact O-N 3.32Å; S87-K89 PolarHBondContact O-N 2.88Å; S87-M96 WeakPolarHBondContact OG-CE 3.47Å
88T95.5Very high95.8Very high94 Ų9448.4 Ų48.458%0.57725%0.246SC*.THydrogen-bonded Turntrans-72.7-16.5174.566.40000113Q84 L85 L86Q84-T88 WeakPolarHBondContact O-CG2 3.49Å; Q84-T88 PolarHBondContact O-N 3.43Å; L85-T88 WeakPolarHBondContact O-CB 3.48Å; L85-T88 WeakPolarHBondContact O-CG2 3.31Å; L85-T88 PolarHBondContact O-N 3.43Å; L85-T88 VanDerWaalsContact O-N 3.14Å; L85-T88 PolarHBondContact O-OG1 3.44Å; L86-T88 PolarHBondContact O-N 3.12Å
89K95.4Very high96Very high52 Ų5247.7 Ų47.723%0.22624%0.242CC..SBendtrans-108153.2178.8-54.8-55.2-179-175.90110.3L86 S87 F91 I121 E125 L129L86-K89 PolarHBondContact O-N 2.84Å; S87-K89 PolarHBondContact O-N 2.88Å; K89-F91 HydrophobicContact CB-CD1 4.26Å; K89-F91 HydrophobicContact CB-CD2 3.77Å; K89-F91 HydrophobicContact CB-CE1 4.1Å; K89-F91 HydrophobicContact CB-CE2 3.63Å; K89-F91 HydrophobicContact CB-CG 4.09Å; K89-F91 HydrophobicContact CB-CZ 3.8Å; K89-F91 HydrophobicContact CG-CE2 3.96Å; K89-F91 HydrophobicContact CG-CZ 4.1Å; K89-F91 PolarHBondContact O-N 3.44Å; K89-I121 HydrophobicContact CG-CD1 4.43Å; K89-E125 VanDerWaalsContact CE-OE1 3.3Å; K89-E125 WeakPolarHBondContact CE-OE1 3.49Å; K89-E125 IonicContact NZ-OE1 3.77Å; K89-E125 PolarHBondContact NZ-OE1 2.78Å; K89-L129 HydrophobicContact CG-CD1 4.43Å; K89-L129 HydrophobicContact CG-CD2 3.9Å
90P94Very high96Very high113 Ų11347.5 Ų47.573%0.73424%0.241SC*.  trans-77.848.4-178.634.8-37.6000112.4
91F96.3Very high96.1Very high19 Ų1942.9 Ų42.98%0.08323%0.226CC..  trans-80.1145.2178.6-65-32.3000111.6K89 E95 M96 L99 L117 I121 L129K89-F91 HydrophobicContact CB-CD1 4.26Å; K89-F91 HydrophobicContact CB-CD2 3.77Å; K89-F91 HydrophobicContact CB-CE1 4.1Å; K89-F91 HydrophobicContact CB-CE2 3.63Å; K89-F91 HydrophobicContact CB-CG 4.09Å; K89-F91 HydrophobicContact CB-CZ 3.8Å; K89-F91 HydrophobicContact CG-CE2 3.96Å; K89-F91 HydrophobicContact CG-CZ 4.1Å; K89-F91 PolarHBondContact O-N 3.44Å; F91-E95 HydrophobicContact CB-CB 4.17Å; F91-M96 HydrophobicContact CB-CG 3.56Å; F91-M96 HydrophobicContact CD2-CG 4.28Å; F91-M96 HydrophobicContact CG-CG 4.45Å; F91-L99 HydrophobicContact CD2-CD1 3.87Å; F91-L99 HydrophobicContact CE2-CD1 3.54Å; F91-L99 HydrophobicContact CZ-CD1 4.13Å; F91-L117 HydrophobicContact CD1-CD2 3.75Å; F91-L117 HydrophobicContact CE1-CD2 3.64Å; F91-L117 HydrophobicContact CG-CD2 4.5Å; F91-L117 HydrophobicContact CZ-CD2 4.27Å; F91-I121 HydrophobicContact CE1-CB 4.12Å; F91-I121 HydrophobicContact CE1-CD1 4.18Å; F91-I121 HydrophobicContact CE1-CG2 3.95Å; F91-I121 HydrophobicContact CZ-CB 4.41Å; F91-I121 HydrophobicContact CZ-CD1 3.65Å; F91-I121 HydrophobicContact CZ-CG2 4.17Å; F91-L129 HydrophobicContact CE2-CD2 3.5Å; F91-L129 HydrophobicContact CZ-CD2 3.98Å
92H95.4Very high96.2Very high66 Ų6643.7 Ų43.731%0.30623%0.227SC..  trans-64.9148.8166.5-172.2-96.9000109.5L19 F21 F94 E95 M96L19-H92 HydrophobicContact CD1-CB 3.74Å; L19-H92 HydrophobicContact CD2-CB 4.01Å; F21-H92 AromaticContact CD2-CE1 3.97Å; F21-H92 AromaticContact CE2-CE1 3.77Å; H92-F94 VanDerWaalsContact ND1-CB 3.3Å; H92-F94 WeakPolarHBondContact ND1-CB 3.43Å; H92-F94 PolarHBondContact ND1-N 2.93Å; H92-F94 VanDerWaalsContact ND1-N 3.19Å; H92-F94 PolarHBondContact O-N 2.91Å; H92-F94 VanDerWaalsContact O-N 3.11Å; H92-E95 HydrophobicContact CB-CG 4.21Å; H92-E95 WeakPolarHBondContact CB-OE2 3.45Å; H92-E95 PolarHBondContact N-OE2 2.85Å; H92-E95 WeakPolarHBondContact O-CB 3.43Å; H92-E95 PolarHBondContact O-N 3.48Å; H92-M96 PolarHBondContact O-N 3.39Å
93K95.1Very high96.2Very high73 Ų7344 Ų4432%0.31723%0.23SC..Hα-helixtrans-53.3-38.9-179.3-65-174.7-171.3177.80111.9A28 D29 T30 M97A28-K93 WeakPolarHBondContact O-CD 3.45Å; A28-K93 PolarHBondContact O-NZ 3.31Å; D29-K93 IonicContact OD1-NZ 2.73Å; D29-K93 PolarHBondContact OD1-NZ 2.6Å; T30-K93 HydrophobicContact CG2-CB 3.76Å; T30-K93 HydrophobicContact CG2-CD 4.45Å; K93-M97 VanDerWaalsContact O-CG 3.31Å; K93-M97 WeakPolarHBondContact O-CG 3.47Å; K93-M97 PolarHBondContact O-N 3.07Å; K93-M97 VanDerWaalsContact O-N 3.08Å
94F95.6Very high96.3Very high47 Ų4741.2 Ų41.221%0.20622%0.219CC..Hα-helixtrans-56.6-52.8173.2173-106.7000112.1A16 L19 F21 H92 M96 M97 Q98 I114A16-F94 HydrophobicContact CB-CE1 4.03Å; A16-F94 HydrophobicContact CB-CE2 4.33Å; A16-F94 HydrophobicContact CB-CZ 3.75Å; L19-F94 HydrophobicContact CD2-CB 4.45Å; L19-F94 HydrophobicContact CD2-CD1 3.88Å; F21-F94 HydrophobicContact CE1-CD2 4.05Å; F21-F94 HydrophobicContact CE1-CE2 4.39Å; F21-F94 HydrophobicContact CE1-CG 4.35Å; F21-F94 HydrophobicContact CE2-CB 3.95Å; F21-F94 HydrophobicContact CE2-CD1 4.45Å; F21-F94 HydrophobicContact CE2-CG 4.11Å; F21-F94 HydrophobicContact CZ-CB 3.73Å; F21-F94 AromaticContact CZ-CD1 3.86Å; F21-F94 HydrophobicContact CZ-CD1 3.86Å; F21-F94 AromaticContact CZ-CD2 3.59Å; F21-F94 HydrophobicContact CZ-CD2 3.59Å; F21-F94 HydrophobicContact CZ-CE1 4.34Å; F21-F94 HydrophobicContact CZ-CE2 4.11Å; F21-F94 AromaticContact CZ-CG 3.45Å; F21-F94 HydrophobicContact CZ-CG 3.45Å; F21-F94 VanDerWaalsContact CZ-CG 3.45Å; F21-F94 HydrophobicContact CZ-CZ 4.46Å; H92-F94 VanDerWaalsContact ND1-CB 3.3Å; H92-F94 WeakPolarHBondContact ND1-CB 3.43Å; H92-F94 PolarHBondContact ND1-N 2.93Å; H92-F94 VanDerWaalsContact ND1-N 3.19Å; H92-F94 PolarHBondContact O-N 2.91Å; H92-F94 VanDerWaalsContact O-N 3.11Å; F94-M96 VanDerWaalsContact C-N 3.33Å; F94-M96 PolarHBondContact O-N 2.84Å; F94-M97 PolarHBondContact O-N 3.46Å; F94-Q98 HydrophobicContact CD1-CG 4.13Å; F94-Q98 HydrophobicContact CD2-CG 3.9Å; F94-Q98 HydrophobicContact CE1-CG 3.78Å; F94-Q98 HydrophobicContact CE2-CG 3.51Å; F94-Q98 HydrophobicContact CG-CG 4.2Å; F94-Q98 HydrophobicContact CZ-CG 3.45Å; F94-Q98 VanDerWaalsContact CZ-CG 3.45Å; F94-Q98 VanDerWaalsContact O-CG 3.31Å; F94-Q98 WeakPolarHBondContact O-CG 3.49Å; F94-Q98 PolarHBondContact O-N 3.08Å; F94-I114 HydrophobicContact CE1-CG2 4.41Å
95E97.3Very high96.4Very high0 Ų040.7 Ų40.70%022%0.22CC..Hα-helixtrans-60.1-44.6-178-67.9165.4160.900111.4L19 F91 H92 M97 Q98 L99 I114 S116 L117 K120L19-E95 HydrophobicContact CD2-CG 4.17Å; F91-E95 HydrophobicContact CB-CB 4.17Å; H92-E95 HydrophobicContact CB-CG 4.21Å; H92-E95 WeakPolarHBondContact CB-OE2 3.45Å; H92-E95 PolarHBondContact N-OE2 2.85Å; H92-E95 WeakPolarHBondContact O-CB 3.43Å; H92-E95 PolarHBondContact O-N 3.48Å; E95-M97 VanDerWaalsContact C-N 3.29Å; E95-M97 PolarHBondContact O-N 2.88Å; E95-Q98 PolarHBondContact O-N 3.43Å; E95-L99 WeakPolarHBondContact O-CB 3.45Å; E95-L99 WeakPolarHBondContact O-CG 3.3Å; E95-L99 PolarHBondContact O-N 3.02Å; E95-I114 HydrophobicContact CG-CG2 4.09Å; E95-S116 WeakPolarHBondContact CG-OG 3.47Å; E95-S116 WeakPolarHBondContact OE1-CB 3.36Å; E95-S116 PolarHBondContact OE1-OG 3.41Å; E95-L117 HydrophobicContact CB-CD2 3.99Å; E95-L117 HydrophobicContact CG-CD2 4.04Å; E95-L117 HydrophobicContact CG-CG 4.46Å; E95-K120 WeakPolarHBondContact OE1-CD 3.39Å; E95-K120 VanDerWaalsContact OE1-CE 3.32Å; E95-K120 WeakPolarHBondContact OE1-CE 3.24Å; E95-K120 IonicContact OE1-NZ 2.69Å; E95-K120 PolarHBondContact OE1-NZ 3.23Å; E95-K120 IonicContact OE2-NZ 2.83Å; E95-K120 PolarHBondContact OE2-NZ 3.36Å
96M96.9Very high96.5Very high15 Ų1542.6 Ų42.67%0.07423%0.233CC..Hα-helixtrans-57.1-44.3174.7-64.8175.257.400111.6L86 S87 F91 H92 F94 A100L86-M96 HydrophobicContact CB-CB 4.37Å; L86-M96 HydrophobicContact CB-CE 3.98Å; L86-M96 HydrophobicContact CB-CG 4.24Å; L86-M96 WeakPolarHBondContact CD1-O 3.37Å; S87-M96 WeakPolarHBondContact OG-CE 3.47Å; F91-M96 HydrophobicContact CB-CG 3.56Å; F91-M96 HydrophobicContact CD2-CG 4.28Å; F91-M96 HydrophobicContact CG-CG 4.45Å; H92-M96 PolarHBondContact O-N 3.39Å; F94-M96 VanDerWaalsContact C-N 3.33Å; F94-M96 PolarHBondContact O-N 2.84Å; M96-A100 WeakPolarHBondContact O-CB 3.42Å; M96-A100 PolarHBondContact O-N 3.01Å; M96-A100 VanDerWaalsContact O-N 3.12Å
97M96Very high96.5Very high8 Ų842.7 Ų42.74%0.03923%0.234CC..Hα-helixtrans-68.9-39.7179.4-66.4-45.878.800112T30 L32 K93 F94 E95 A100 N101T30-M97 HydrophobicContact CG2-CG 4.12Å; T30-M97 VanDerWaalsContact OG1-CG 3.24Å; T30-M97 WeakPolarHBondContact OG1-CG 3.4Å; T30-M97 PolarHBondContact OG1-SD 3.31Å; L32-M97 HydrophobicContact CD2-CB 4.44Å; L32-M97 HydrophobicContact CD2-CE 3.79Å; L32-M97 HydrophobicContact CD2-CG 4.49Å; L32-M97 HydrophobicContact CD2-SD 3.4Å; L32-M97 WeakPolarHBondContact CD2-SD 3.38Å; L32-M97 HydrophobicContact CG-CE 4.39Å; L32-M97 HydrophobicContact CG-SD 3.84Å; K93-M97 VanDerWaalsContact O-CG 3.31Å; K93-M97 WeakPolarHBondContact O-CG 3.47Å; K93-M97 PolarHBondContact O-N 3.07Å; K93-M97 VanDerWaalsContact O-N 3.08Å; F94-M97 PolarHBondContact O-N 3.46Å; E95-M97 VanDerWaalsContact C-N 3.29Å; E95-M97 PolarHBondContact O-N 2.88Å; M97-A100 PolarHBondContact O-N 2.96Å; M97-N101 WeakPolarHBondContact O-CB 3.49Å; M97-N101 PolarHBondContact O-N 3.2Å; M97-N101 PolarHBondContact O-ND2 2.85Å
98Q97.6Very high96.7Very high53 Ų5346.6 Ų46.625%0.24824%0.243CC..Hα-helixtrans-64.5-44.7178.5-68.3-61.499.100110.8F94 E95 A100 N101 L102 I114F94-Q98 HydrophobicContact CD1-CG 4.13Å; F94-Q98 HydrophobicContact CD2-CG 3.9Å; F94-Q98 HydrophobicContact CE1-CG 3.78Å; F94-Q98 HydrophobicContact CE2-CG 3.51Å; F94-Q98 HydrophobicContact CG-CG 4.2Å; F94-Q98 HydrophobicContact CZ-CG 3.45Å; F94-Q98 VanDerWaalsContact CZ-CG 3.45Å; F94-Q98 VanDerWaalsContact O-CG 3.31Å; F94-Q98 WeakPolarHBondContact O-CG 3.49Å; F94-Q98 PolarHBondContact O-N 3.08Å; E95-Q98 PolarHBondContact O-N 3.43Å; Q98-A100 PolarHBondContact O-N 3.3Å; Q98-N101 PolarHBondContact O-N 3.37Å; Q98-L102 HydrophobicContact CB-CD1 4.26Å; Q98-L102 WeakPolarHBondContact O-CB 3.46Å; Q98-L102 VanDerWaalsContact O-CG 3.25Å; Q98-L102 WeakPolarHBondContact O-CG 3.34Å; Q98-L102 PolarHBondContact O-N 2.89Å; Q98-I114 HydrophobicContact CB-CD1 3.43Å; Q98-I114 VanDerWaalsContact CB-CD1 3.43Å; Q98-I114 HydrophobicContact CB-CG1 3.75Å; Q98-I114 HydrophobicContact CB-CG2 4.42Å
99L98Very high96.8Very high0 Ų045.9 Ų45.90%023%0.233CC..Hα-helixtrans-56.9-49.1174.7-73.6170.1000111.5L86 F91 E95 C103 P104 A110 I114 L117 L126 L130L86-L99 HydrophobicContact CD1-CB 4.34Å; L86-L99 HydrophobicContact CD2-CB 4.33Å; L86-L99 HydrophobicContact CD2-CD1 4.12Å; F91-L99 HydrophobicContact CD2-CD1 3.87Å; F91-L99 HydrophobicContact CE2-CD1 3.54Å; F91-L99 HydrophobicContact CZ-CD1 4.13Å; E95-L99 WeakPolarHBondContact O-CB 3.45Å; E95-L99 WeakPolarHBondContact O-CG 3.3Å; E95-L99 PolarHBondContact O-N 3.02Å; L99-C103 VanDerWaalsContact O-CA 3.28Å; L99-C103 WeakPolarHBondContact O-CA 3.31Å; L99-C103 PolarHBondContact O-N 3.16Å; L99-P104 HydrophobicContact CD2-CG 4.07Å; L99-P104 WeakPolarHBondContact O-CD 3.31Å; L99-A110 HydrophobicContact CD2-CB 4.09Å; L99-I114 HydrophobicContact CD2-CD1 3.83Å; L99-I114 HydrophobicContact CG-CD1 3.86Å; L99-L117 HydrophobicContact CD1-CD1 4.27Å; L99-L117 HydrophobicContact CD2-CD1 3.83Å; L99-L117 HydrophobicContact CG-CD1 4.17Å; L99-L126 HydrophobicContact CD2-CD1 4.31Å; L99-L130 HydrophobicContact CD2-CD2 4.06Å
100A97.2Very high97Very high1 Ų143.4 Ų43.41%0.00822%0.223CC..Hα-helixtrans-69.8-36.7-179.400000113.7L32 F73 V82 L86 M96 M97 Q98 C103L32-A100 HydrophobicContact CD1-CB 4.27Å; L32-A100 HydrophobicContact CD2-CB 3.33Å; L32-A100 HydrophobicContact CG-CB 4.46Å; F73-A100 HydrophobicContact CE2-CB 4.24Å; F73-A100 WeakPolarHBondContact CE2-O 3.37Å; V82-A100 HydrophobicContact CG1-CB 4.09Å; L86-A100 HydrophobicContact CD1-CB 3.8Å; M96-A100 WeakPolarHBondContact O-CB 3.42Å; M96-A100 PolarHBondContact O-N 3.01Å; M96-A100 VanDerWaalsContact O-N 3.12Å; M97-A100 PolarHBondContact O-N 2.96Å; Q98-A100 PolarHBondContact O-N 3.3Å; A100-C103 PolarHBondContact O-SG 3.4Å
101N97.4Very high97.2Very high28 Ų2838.9 Ų38.915%0.1519%0.192CC..Hα-helixtrans-78.2-38.8-178.7-72.1-27000112.3T33 K72 M97 Q98T33-N101 PolarHBondContact N-OD1 2.9Å; T33-N101 PolarHBondContact OG1-OD1 3.4Å; K72-N101 WeakPolarHBondContact CE-O 3.45Å; K72-N101 VanDerWaalsContact CG-O 3.24Å; K72-N101 WeakPolarHBondContact CG-O 3.3Å; M97-N101 WeakPolarHBondContact O-CB 3.49Å; M97-N101 PolarHBondContact O-N 3.2Å; M97-N101 PolarHBondContact O-ND2 2.85Å; Q98-N101 PolarHBondContact O-N 3.37Å
102L96.9Very high97.3Very high68 Ų6841.6 Ų41.636%0.35622%0.217SC..Hα-helixtrans-79.8-38.5179.6-62.6170.6000110.7Q98 L113 I114Q98-L102 HydrophobicContact CB-CD1 4.26Å; Q98-L102 WeakPolarHBondContact O-CB 3.46Å; Q98-L102 VanDerWaalsContact O-CG 3.25Å; Q98-L102 WeakPolarHBondContact O-CG 3.34Å; Q98-L102 PolarHBondContact O-N 2.89Å; L102-L113 HydrophobicContact CD1-CB 4.02Å; L102-L113 HydrophobicContact CD1-CD1 4.21Å; L102-I114 HydrophobicContact CD1-CD1 4.33Å; L102-I114 HydrophobicContact CD1-CG1 4.16Å
103C96.3Very high97.4Very high7 Ų742.7 Ų42.75%0.04723%0.225CC..  trans48.961.6-170.8-670000112.2L99 A100 M133 R137L99-C103 VanDerWaalsContact O-CA 3.28Å; L99-C103 WeakPolarHBondContact O-CA 3.31Å; L99-C103 PolarHBondContact O-N 3.16Å; A100-C103 PolarHBondContact O-SG 3.4Å; C103-M133 HydrophobicContact CB-CE 4.39Å; C103-R137 PolarHBondContact SG-NH1 2.87Å
104P97.8Very high97.5Very high1 Ų139.3 Ų39.31%0.00621%0.21CC..  trans-62.1145.7176.729-33.9000110.4L99 E109 A110 L130 H134L99-P104 HydrophobicContact CD2-CG 4.07Å; L99-P104 WeakPolarHBondContact O-CD 3.31Å; P104-E109 WeakPolarHBondContact CA-OE2 3.36Å; P104-E109 HydrophobicContact CB-CB 4.17Å; P104-E109 HydrophobicContact CB-CG 3.96Å; P104-A110 HydrophobicContact CB-CB 3.88Å; P104-A110 HydrophobicContact CG-CB 3.51Å; P104-L130 HydrophobicContact CG-CD1 4.21Å; P104-L130 HydrophobicContact CG-CD2 3.81Å; P104-H134 PolarHBondContact O-NE2 2.66Å
105D97.2Very high97.6Very high108 Ų10840.3 Ų40.358%0.57822%0.221SC*.SBendtrans-85-19.4-176.2-68.2-40.9000112.4E109 H134D105-E109 PolarHBondContact N-OE2 3.45Å; D105-H134 IonicContact OD1-CE1 2.84Å; D105-H134 PolarHBondContact OD1-CE1 2.67Å; D105-H134 IonicContact OD1-NE2 2.73Å
106T98.2Very high97.6Very high63 Ų6340.9 Ų40.939%0.38723%0.225SC..SBendtrans-141.3158.7-177.8620000112.1E108 E109 A110 D127 L130T106-E108 VanDerWaalsContact C-N 3.3Å; T106-E108 PolarHBondContact O-N 2.94Å; T106-E109 PolarHBondContact O-N 2.93Å; T106-E109 WeakPolarHBondContact OG1-CB 3.3Å; T106-E109 PolarHBondContact OG1-N 3Å; T106-A110 WeakPolarHBondContact O-CB 3.24Å; T106-A110 PolarHBondContact O-N 3.47Å; T106-D127 WeakPolarHBondContact CA-OD1 3.43Å; T106-L130 VanDerWaalsContact C-CD1 3.49Å
107A98.2Very high97.7Very high2 Ų240.1 Ų40.12%0.01722%0.222CC..Hα-helixtrans-58.2-39.8172.600000112.8A110 K111 D123 L126 D127A107-A110 PolarHBondContact O-N 2.88Å; A107-K111 WeakPolarHBondContact O-CB 3.42Å; A107-K111 WeakPolarHBondContact O-CG 3.3Å; A107-K111 PolarHBondContact O-N 2.87Å; A107-D123 HydrophobicContact CB-CB 3.81Å; A107-D123 WeakPolarHBondContact CB-O 3.41Å; A107-L126 HydrophobicContact CB-CB 3.97Å; A107-L126 HydrophobicContact CB-CD2 3.89Å; A107-L126 HydrophobicContact CB-CG 3.98Å; A107-D127 WeakPolarHBondContact CB-OD1 3.35Å; A107-D127 PolarHBondContact N-OD1 2.99Å
108E98.1Very high97.6Very high161 Ų16145.5 Ų45.575%0.75225%0.247SC*.Hα-helixtrans-59.6-49.7176.1-176.4-176.9174.200111.1T106 A110 K111 A112T106-E108 VanDerWaalsContact C-N 3.3Å; T106-E108 PolarHBondContact O-N 2.94Å; E108-A110 VanDerWaalsContact C-N 3.35Å; E108-A110 PolarHBondContact O-N 3.11Å; E108-K111 PolarHBondContact O-N 3.48Å; E108-A112 VanDerWaalsContact O-CB 3.3Å; E108-A112 WeakPolarHBondContact O-CB 3.29Å; E108-A112 PolarHBondContact O-N 3.39Å
109E98.6Very high97.3Very high79 Ų7948.6 Ų48.637%0.36927%0.274SS..Hα-helixtrans-62.7-43.3176.8-176.6-176.1-161.300111.3P104 D105 T106 K111 A112 L113P104-E109 WeakPolarHBondContact CA-OE2 3.36Å; P104-E109 HydrophobicContact CB-CB 4.17Å; P104-E109 HydrophobicContact CB-CG 3.96Å; D105-E109 PolarHBondContact N-OE2 3.45Å; T106-E109 PolarHBondContact O-N 2.93Å; T106-E109 WeakPolarHBondContact OG1-CB 3.3Å; T106-E109 PolarHBondContact OG1-N 3Å; E109-K111 PolarHBondContact O-N 3.08Å; E109-A112 PolarHBondContact O-N 3.44Å; E109-L113 HydrophobicContact CG-CD1 3.78Å; E109-L113 HydrophobicContact CG-CG 4.36Å; E109-L113 WeakPolarHBondContact O-CB 3.46Å; E109-L113 VanDerWaalsContact O-CG 3.32Å; E109-L113 WeakPolarHBondContact O-CG 3.44Å; E109-L113 PolarHBondContact O-N 3.41Å
110A98.5Very high97.1Very high0 Ų052.2 Ų52.20%029%0.29CS..Hα-helixtrans-59.6-46.3179.500000111.9L99 P104 T106 A107 E108 L113 I114 L126 L130L99-A110 HydrophobicContact CD2-CB 4.09Å; P104-A110 HydrophobicContact CB-CB 3.88Å; P104-A110 HydrophobicContact CG-CB 3.51Å; T106-A110 WeakPolarHBondContact O-CB 3.24Å; T106-A110 PolarHBondContact O-N 3.47Å; A107-A110 PolarHBondContact O-N 2.88Å; E108-A110 VanDerWaalsContact C-N 3.35Å; E108-A110 PolarHBondContact O-N 3.11Å; A110-L113 PolarHBondContact O-N 3.22Å; A110-I114 WeakPolarHBondContact O-CA 3.37Å; A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.36Å; A110-I114 WeakPolarHBondContact O-CG1 3.48Å; A110-I114 PolarHBondContact O-N 3.3Å; A110-L126 HydrophobicContact CB-CD2 3.85Å; A110-L126 HydrophobicContact CB-CG 4.48Å; A110-L130 HydrophobicContact CB-CD1 4.16Å
111K98.2Very high97.1Very high18 Ų1852.6 Ų52.68%0.07829%0.292CS..Hα-helixtrans-70.7-36.3178.4-73.1177.6172.1-173.90112.4A107 E108 E109 L113 I114 P115 L117 I121 D123 L126A107-K111 WeakPolarHBondContact O-CB 3.42Å; A107-K111 WeakPolarHBondContact O-CG 3.3Å; A107-K111 PolarHBondContact O-N 2.87Å; E108-K111 PolarHBondContact O-N 3.48Å; E109-K111 PolarHBondContact O-N 3.08Å; K111-L113 VanDerWaalsContact C-N 3.34Å; K111-L113 PolarHBondContact O-N 2.96Å; K111-I114 CarbonylContact O-C 3.26Å; K111-I114 VanDerWaalsContact O-C 3.26Å; K111-I114 PolarHBondContact O-N 3.45Å; K111-P115 VanDerWaalsContact O-CA 3.3Å; K111-P115 WeakPolarHBondContact O-CA 3.35Å; K111-L117 HydrophobicContact CG-CB 4.2Å; K111-I121 WeakPolarHBondContact CE-O 3.33Å; K111-I121 PolarHBondContact NZ-O 3.38Å; K111-D123 VanDerWaalsContact CE-OD1 3.3Å; K111-D123 WeakPolarHBondContact CE-OD1 3.3Å; K111-D123 IonicContact NZ-OD1 2.76Å; K111-D123 PolarHBondContact NZ-OD1 3.38Å; K111-L126 HydrophobicContact CG-CD2 4.26Å
112A98.1Very high97.1Very high76 Ų7655.6 Ų55.663%0.62831%0.308SS*.Hα-helixtrans-63-39.9174.100000112.4E108 E109E108-A112 VanDerWaalsContact O-CB 3.3Å; E108-A112 WeakPolarHBondContact O-CB 3.29Å; E108-A112 PolarHBondContact O-N 3.39Å; E109-A112 PolarHBondContact O-N 3.44Å
113L98Very high97.2Very high88 Ų8856.3 Ų56.346%0.46131%0.312SS..Hα-helixtrans-82.7-26.6178.7-65.8173.4000113.2L102 E109 A110 K111L102-L113 HydrophobicContact CD1-CB 4.02Å; L102-L113 HydrophobicContact CD1-CD1 4.21Å; E109-L113 HydrophobicContact CG-CD1 3.78Å; E109-L113 HydrophobicContact CG-CG 4.36Å; E109-L113 WeakPolarHBondContact O-CB 3.46Å; E109-L113 VanDerWaalsContact O-CG 3.32Å; E109-L113 WeakPolarHBondContact O-CG 3.44Å; E109-L113 PolarHBondContact O-N 3.41Å; A110-L113 PolarHBondContact O-N 3.22Å; K111-L113 VanDerWaalsContact C-N 3.34Å; K111-L113 PolarHBondContact O-N 2.96Å
114I97.9Very high97.3Very high2 Ų259.4 Ų59.41%0.0134%0.338CS..  trans-13276-175.8-43.9165.4000108.7F94 E95 Q98 L99 L102 A110 K111 S116 L117F94-I114 HydrophobicContact CE1-CG2 4.41Å; E95-I114 HydrophobicContact CG-CG2 4.09Å; Q98-I114 HydrophobicContact CB-CD1 3.43Å; Q98-I114 VanDerWaalsContact CB-CD1 3.43Å; Q98-I114 HydrophobicContact CB-CG1 3.75Å; Q98-I114 HydrophobicContact CB-CG2 4.42Å; L99-I114 HydrophobicContact CD2-CD1 3.83Å; L99-I114 HydrophobicContact CG-CD1 3.86Å; L102-I114 HydrophobicContact CD1-CD1 4.33Å; L102-I114 HydrophobicContact CD1-CG1 4.16Å; A110-I114 WeakPolarHBondContact O-CA 3.37Å; A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.36Å; A110-I114 WeakPolarHBondContact O-CG1 3.48Å; A110-I114 PolarHBondContact O-N 3.3Å; K111-I114 CarbonylContact O-C 3.26Å; K111-I114 VanDerWaalsContact O-C 3.26Å; K111-I114 PolarHBondContact O-N 3.45Å; I114-S116 PolarHBondContact O-N 3.35Å; I114-L117 HydrophobicContact CB-CD1 3.85Å; I114-L117 HydrophobicContact CB-CG 4.13Å; I114-L117 HydrophobicContact CD1-CD1 3.97Å; I114-L117 HydrophobicContact CG2-CD1 4.03Å; I114-L117 HydrophobicContact CG2-CG 3.89Å; I114-L117 WeakPolarHBondContact O-CB 3.33Å; I114-L117 PolarHBondContact O-N 3Å
115P97.8Very high97.3Very high68 Ų6862.5 Ų62.544%0.44235%0.352SS..G310 helixtrans-61.5-20.7-171.5-24.935000114.5A17 K111 L117 E118A17-P115 HydrophobicContact CB-CB 4.08Å; A17-P115 HydrophobicContact CB-CG 4.21Å; K111-P115 VanDerWaalsContact O-CA 3.3Å; K111-P115 WeakPolarHBondContact O-CA 3.35Å; P115-L117 PolarHBondContact O-N 2.84Å; P115-E118 WeakPolarHBondContact O-CB 3.2Å; P115-E118 PolarHBondContact O-N 3.03Å
116S97.3Very high97.3Very high12 Ų1257.4 Ų57.48%0.08433%0.325CS..G310 helixtrans-66.4-13.4177.168.50000113.6A17 E95 I114A17-S116 WeakPolarHBondContact O-CA 3.42Å; A17-S116 VanDerWaalsContact O-CB 3.3Å; A17-S116 WeakPolarHBondContact O-CB 3.35Å; E95-S116 WeakPolarHBondContact CG-OG 3.47Å; E95-S116 WeakPolarHBondContact OE1-CB 3.36Å; E95-S116 PolarHBondContact OE1-OG 3.41Å; I114-S116 PolarHBondContact O-N 3.35Å
117L97.7Very high97.3Very high0 Ų057.8 Ų57.80%033%0.325CS..G310 helixtrans-79-18.8174.7-68.3177.5000113.9F91 E95 L99 K111 I114 P115 S119 K120F91-L117 HydrophobicContact CD1-CD2 3.75Å; F91-L117 HydrophobicContact CE1-CD2 3.64Å; F91-L117 HydrophobicContact CG-CD2 4.5Å; F91-L117 HydrophobicContact CZ-CD2 4.27Å; E95-L117 HydrophobicContact CB-CD2 3.99Å; E95-L117 HydrophobicContact CG-CD2 4.04Å; E95-L117 HydrophobicContact CG-CG 4.46Å; L99-L117 HydrophobicContact CD1-CD1 4.27Å; L99-L117 HydrophobicContact CD2-CD1 3.83Å; L99-L117 HydrophobicContact CG-CD1 4.17Å; K111-L117 HydrophobicContact CG-CB 4.2Å; I114-L117 HydrophobicContact CB-CD1 3.85Å; I114-L117 HydrophobicContact CB-CG 4.13Å; I114-L117 HydrophobicContact CD1-CD1 3.97Å; I114-L117 HydrophobicContact CG2-CD1 4.03Å; I114-L117 HydrophobicContact CG2-CG 3.89Å; I114-L117 WeakPolarHBondContact O-CB 3.33Å; I114-L117 PolarHBondContact O-N 3Å; P115-L117 PolarHBondContact O-N 2.84Å; L117-S119 PolarHBondContact O-N 2.99Å; L117-S119 VanDerWaalsContact O-N 3.08Å; L117-K120 PolarHBondContact O-N 3.38Å
118E95.3Very high97.3Very high121 Ų12164 Ų6457%0.56535%0.353SS*.THydrogen-bonded Turntrans-50.4-42.5-167.3-170.962.3-146.200113.4P115P115-E118 WeakPolarHBondContact O-CB 3.2Å; P115-E118 PolarHBondContact O-N 3.03Å
119S91.3Very high97.3Very high117 Ų11756.7 Ų56.782%0.81832%0.319SS*.THydrogen-bonded Turntrans-1035.8-176.959.60000114.6L117L117-S119 PolarHBondContact O-N 2.99Å; L117-S119 VanDerWaalsContact O-N 3.08Å
120K94.2Very high97.3Very high76 Ų7653 Ų5333%0.3330%0.302SS..THydrogen-bonded Turntrans-101.8-29.9-172.3-72.2-170177.5-174.20115E95 L117E95-K120 WeakPolarHBondContact OE1-CD 3.39Å; E95-K120 VanDerWaalsContact OE1-CE 3.32Å; E95-K120 WeakPolarHBondContact OE1-CE 3.24Å; E95-K120 IonicContact OE1-NZ 2.69Å; E95-K120 PolarHBondContact OE1-NZ 3.23Å; E95-K120 IonicContact OE2-NZ 2.83Å; E95-K120 PolarHBondContact OE2-NZ 3.36Å; L117-K120 PolarHBondContact O-N 3.38Å
121I96.9Very high97.2Very high10 Ų1056.1 Ų56.15%0.05132%0.324CS..SBendtrans-147.2139.7-174.5-171.3167.8000108.7K89 F91 K111 E125 L126K89-I121 HydrophobicContact CG-CD1 4.43Å; F91-I121 HydrophobicContact CE1-CB 4.12Å; F91-I121 HydrophobicContact CE1-CD1 4.18Å; F91-I121 HydrophobicContact CE1-CG2 3.95Å; F91-I121 HydrophobicContact CZ-CB 4.41Å; F91-I121 HydrophobicContact CZ-CD1 3.65Å; F91-I121 HydrophobicContact CZ-CG2 4.17Å; K111-I121 WeakPolarHBondContact CE-O 3.33Å; K111-I121 PolarHBondContact NZ-O 3.38Å; I121-E125 HydrophobicContact CD1-CB 4.15Å; I121-E125 HydrophobicContact CD1-CG 3.91Å; I121-E125 HydrophobicContact CG1-CB 3.88Å; I121-E125 HydrophobicContact CG1-CG 4.03Å; I121-L126 HydrophobicContact CD1-CB 3.99Å; I121-L126 HydrophobicContact CD1-CD1 4.31Å; I121-L126 HydrophobicContact CG1-CB 4.13Å; I121-L126 HydrophobicContact CG2-CB 4.07Å; I121-L126 HydrophobicContact CG2-CD1 4.36Å; I121-L126 HydrophobicContact CG2-CD2 3.97Å; I121-L126 HydrophobicContact CG2-CG 4.37Å
122D97.4Very high97.1Very high91 Ų9158.6 Ų58.649%0.48734%0.338SS..  trans-77.1161.5173.971.965000111.6A124 E125 L126D122-A124 VanDerWaalsContact C-N 3.32Å; D122-A124 PolarHBondContact O-N 2.68Å; D122-A124 PolarHBondContact OD1-N 2.97Å; D122-E125 PolarHBondContact O-N 3.06Å; D122-E125 PolarHBondContact OD1-N 2.95Å; D122-L126 WeakPolarHBondContact O-CB 3.36Å; D122-L126 PolarHBondContact O-N 2.93Å
123D98.1Very high97Very high83 Ų8355 Ų5544%0.44431%0.309SS..Hα-helixtrans-65.8-35.8-172.2-64.8-10.4000112.2A107 K111 L126 D127A107-D123 HydrophobicContact CB-CB 3.81Å; A107-D123 WeakPolarHBondContact CB-O 3.41Å; K111-D123 VanDerWaalsContact CE-OD1 3.3Å; K111-D123 WeakPolarHBondContact CE-OD1 3.3Å; K111-D123 IonicContact NZ-OD1 2.76Å; K111-D123 PolarHBondContact NZ-OD1 3.38Å; D123-L126 PolarHBondContact O-N 3.11Å; D123-D127 WeakPolarHBondContact O-CB 3.39Å; D123-D127 PolarHBondContact O-N 2.76Å
124A97.9Very high96.9Very high71 Ų7152.7 Ų52.759%0.58730%0.295SS*.Hα-helixtrans-69.2-43.5-178.500000111.3D122 L126 E128D122-A124 VanDerWaalsContact C-N 3.32Å; D122-A124 PolarHBondContact O-N 2.68Å; D122-A124 PolarHBondContact OD1-N 2.97Å; A124-L126 VanDerWaalsContact C-N 3.34Å; A124-E128 PolarHBondContact O-N 3.08Å; A124-E128 VanDerWaalsContact O-N 3.08Å
125E97.6Very high96.7Very high67 Ų6755.8 Ų55.831%0.31331%0.314SS..Hα-helixtrans-66.3-37.7175.9-168.6-176-17300111.6K89 I121 D122 L129K89-E125 VanDerWaalsContact CE-OE1 3.3Å; K89-E125 WeakPolarHBondContact CE-OE1 3.49Å; K89-E125 IonicContact NZ-OE1 3.77Å; K89-E125 PolarHBondContact NZ-OE1 2.78Å; I121-E125 HydrophobicContact CD1-CB 4.15Å; I121-E125 HydrophobicContact CD1-CG 3.91Å; I121-E125 HydrophobicContact CG1-CB 3.88Å; I121-E125 HydrophobicContact CG1-CG 4.03Å; D122-E125 PolarHBondContact O-N 3.06Å; D122-E125 PolarHBondContact OD1-N 2.95Å; E125-L129 WeakPolarHBondContact O-CB 3.22Å; E125-L129 PolarHBondContact O-N 2.63Å; E125-L129 VanDerWaalsContact O-N 3.11Å
126L98.2Very high96.4Very high0 Ų055.5 Ų55.50%031%0.306CS..Hα-helixtrans-69-43.8176.5-176.853.5000111.6L99 A107 A110 K111 I121 D122 D123 A124 E128 L129 L130L99-L126 HydrophobicContact CD2-CD1 4.31Å; A107-L126 HydrophobicContact CB-CB 3.97Å; A107-L126 HydrophobicContact CB-CD2 3.89Å; A107-L126 HydrophobicContact CB-CG 3.98Å; A110-L126 HydrophobicContact CB-CD2 3.85Å; A110-L126 HydrophobicContact CB-CG 4.48Å; K111-L126 HydrophobicContact CG-CD2 4.26Å; I121-L126 HydrophobicContact CD1-CB 3.99Å; I121-L126 HydrophobicContact CD1-CD1 4.31Å; I121-L126 HydrophobicContact CG1-CB 4.13Å; I121-L126 HydrophobicContact CG2-CB 4.07Å; I121-L126 HydrophobicContact CG2-CD1 4.36Å; I121-L126 HydrophobicContact CG2-CD2 3.97Å; I121-L126 HydrophobicContact CG2-CG 4.37Å; D122-L126 WeakPolarHBondContact O-CB 3.36Å; D122-L126 PolarHBondContact O-N 2.93Å; D123-L126 PolarHBondContact O-N 3.11Å; A124-L126 VanDerWaalsContact C-N 3.34Å; L126-E128 VanDerWaalsContact C-N 3.34Å; L126-E128 PolarHBondContact O-N 3.17Å; L126-L129 WeakPolarHBondContact O-CB 3.3Å; L126-L129 PolarHBondContact O-N 2.73Å; L126-L130 HydrophobicContact CD1-CD1 4.33Å; L126-L130 HydrophobicContact CD1-CD2 4.48Å; L126-L130 HydrophobicContact CD1-CG 4.12Å; L126-L130 HydrophobicContact CG-CD1 4.13Å; L126-L130 HydrophobicContact CG-CG 4.38Å; L126-L130 WeakPolarHBondContact O-CB 3.19Å; L126-L130 VanDerWaalsContact O-CG 3.24Å; L126-L130 WeakPolarHBondContact O-CG 3.32Å; L126-L130 PolarHBondContact O-N 2.76Å
127D98.3Very high96.1Very high71 Ų7158.7 Ų58.738%0.3832%0.316SS..Hα-helixtrans-60.2-41.7176.2-81-29000112T106 A107 D123 L130 S131T106-D127 WeakPolarHBondContact CA-OD1 3.43Å; A107-D127 WeakPolarHBondContact CB-OD1 3.35Å; A107-D127 PolarHBondContact N-OD1 2.99Å; D123-D127 WeakPolarHBondContact O-CB 3.39Å; D123-D127 PolarHBondContact O-N 2.76Å; D127-L130 PolarHBondContact O-N 3.18Å; D127-S131 WeakPolarHBondContact O-CB 3.45Å; D127-S131 PolarHBondContact O-N 3.19Å
128E97.9Very high95.6Very high133 Ų13362.8 Ų62.862%0.62135%0.345SS*.Hα-helixtrans-61.1-46.6174.7-175.4177.7-167.100111.3A124 L126 L130 S131 D132A124-E128 PolarHBondContact O-N 3.08Å; A124-E128 VanDerWaalsContact O-N 3.08Å; L126-E128 VanDerWaalsContact C-N 3.34Å; L126-E128 PolarHBondContact O-N 3.17Å; E128-L130 PolarHBondContact O-N 2.83Å; E128-S131 WeakPolarHBondContact O-CB 3.42Å; E128-S131 PolarHBondContact O-N 2.96Å; E128-D132 PolarHBondContact O-N 3.33Å
129L98Very high94.9Very high7 Ų765 Ų654%0.03735%0.353CS..Hα-helixtrans-62.1-42.2178.6-174.271.9000112.3L85 L86 K89 F91 E125 L126 D132 M133L85-L129 HydrophobicContact CD1-CD1 3.81Å; L85-L129 HydrophobicContact CD2-CD1 4.28Å; L85-L129 HydrophobicContact CG-CD1 3.71Å; L86-L129 HydrophobicContact CD2-CD2 3.87Å; L86-L129 HydrophobicContact CD2-CG 4.21Å; K89-L129 HydrophobicContact CG-CD1 4.43Å; K89-L129 HydrophobicContact CG-CD2 3.9Å; F91-L129 HydrophobicContact CE2-CD2 3.5Å; F91-L129 HydrophobicContact CZ-CD2 3.98Å; E125-L129 WeakPolarHBondContact O-CB 3.22Å; E125-L129 PolarHBondContact O-N 2.63Å; E125-L129 VanDerWaalsContact O-N 3.11Å; L126-L129 WeakPolarHBondContact O-CB 3.3Å; L126-L129 PolarHBondContact O-N 2.73Å; L129-D132 PolarHBondContact O-N 3.04Å; L129-M133 PolarHBondContact O-N 3.36Å
130L98.1Very high94.3Very high2 Ų263.9 Ų63.91%0.0134%0.335CS..Hα-helixtrans-64.6-45.6176.9-68.8175.9000110.5L99 P104 T106 A110 L126 D127 E128 D132 M133 H134L99-L130 HydrophobicContact CD2-CD2 4.06Å; P104-L130 HydrophobicContact CG-CD1 4.21Å; P104-L130 HydrophobicContact CG-CD2 3.81Å; T106-L130 VanDerWaalsContact C-CD1 3.49Å; A110-L130 HydrophobicContact CB-CD1 4.16Å; L126-L130 HydrophobicContact CD1-CD1 4.33Å; L126-L130 HydrophobicContact CD1-CD2 4.48Å; L126-L130 HydrophobicContact CD1-CG 4.12Å; L126-L130 HydrophobicContact CG-CD1 4.13Å; L126-L130 HydrophobicContact CG-CG 4.38Å; L126-L130 WeakPolarHBondContact O-CB 3.19Å; L126-L130 VanDerWaalsContact O-CG 3.24Å; L126-L130 WeakPolarHBondContact O-CG 3.32Å; L126-L130 PolarHBondContact O-N 2.76Å; D127-L130 PolarHBondContact O-N 3.18Å; E128-L130 PolarHBondContact O-N 2.83Å; L130-D132 VanDerWaalsContact C-N 3.34Å; L130-D132 PolarHBondContact O-N 3.22Å; L130-M133 HydrophobicContact CD2-CE 3.67Å; L130-M133 WeakPolarHBondContact O-CA 3.45Å; L130-M133 WeakPolarHBondContact O-CB 3.4Å; L130-M133 PolarHBondContact O-N 3.3Å; L130-H134 VanDerWaalsContact C-CD2 3.49Å; L130-H134 PolarHBondContact O-CD2 3.43Å; L130-H134 PolarHBondContact O-N 3.26Å
131S97.3Very high94.3Very high66 Ų6663.3 Ų63.346%0.46234%0.335SS..Hα-helixtrans-53.9-49.6174.9-1770000111.6D127 E128 M133 H134 V135D127-S131 WeakPolarHBondContact O-CB 3.45Å; D127-S131 PolarHBondContact O-N 3.19Å; E128-S131 WeakPolarHBondContact O-CB 3.42Å; E128-S131 PolarHBondContact O-N 2.96Å; S131-M133 VanDerWaalsContact C-N 3.29Å; S131-M133 PolarHBondContact O-N 3.16Å; S131-H134 PolarHBondContact O-N 3.02Å; S131-H134 VanDerWaalsContact O-N 3.12Å; S131-V135 VanDerWaalsContact O-CG2 3.29Å; S131-V135 WeakPolarHBondContact O-CG2 3.48Å; S131-V135 PolarHBondContact O-N 3.14Å
132D96.1Very high94.2Very high70 Ų7066.1 Ų66.137%0.37435%0.35SS..Hα-helixtrans-59.3-38.4176.4-86.7-2.8000112.9L85 E128 L129 L130 K136L85-D132 HydrophobicContact CD1-CB 4.12Å; L85-D132 HydrophobicContact CD2-CB 3.79Å; E128-D132 PolarHBondContact O-N 3.33Å; L129-D132 PolarHBondContact O-N 3.04Å; L130-D132 VanDerWaalsContact C-N 3.34Å; L130-D132 PolarHBondContact O-N 3.22Å; D132-K136 VanDerWaalsContact O-CG 3.29Å; D132-K136 WeakPolarHBondContact O-CG 3.36Å; D132-K136 PolarHBondContact O-N 3.4Å
133M95.9Very high94Very high1 Ų164.7 Ų64.71%0.00534%0.342CS..Hα-helixtrans-66.3-43.2175.5-176.7177.662.500111.4F73 V82 L85 L86 C103 L129 L130 S131 K136 R137F73-M133 HydrophobicContact CZ-CG 4.33Å; V82-M133 HydrophobicContact CG1-CG 4.03Å; V82-M133 HydrophobicContact CG1-SD 4.04Å; V82-M133 HydrophobicContact CG2-CG 4.24Å; L85-M133 HydrophobicContact CD2-CB 3.94Å; L86-M133 HydrophobicContact CD1-SD 4.41Å; C103-M133 HydrophobicContact CB-CE 4.39Å; L129-M133 PolarHBondContact O-N 3.36Å; L130-M133 HydrophobicContact CD2-CE 3.67Å; L130-M133 WeakPolarHBondContact O-CA 3.45Å; L130-M133 WeakPolarHBondContact O-CB 3.4Å; L130-M133 PolarHBondContact O-N 3.3Å; S131-M133 VanDerWaalsContact C-N 3.29Å; S131-M133 PolarHBondContact O-N 3.16Å; M133-K136 PolarHBondContact O-N 3.34Å; M133-R137 PolarHBondContact O-N 3.45Å
134H95.8Very high93.8Very high38 Ų3863.6 Ų63.618%0.17634%0.336CS..Hα-helixtrans-63.9-41.2177.1-70.3-67.9000112.2P104 D105 L130 S131 K136 R137 S138P104-H134 PolarHBondContact O-NE2 2.66Å; D105-H134 IonicContact OD1-CE1 2.84Å; D105-H134 PolarHBondContact OD1-CE1 2.67Å; D105-H134 IonicContact OD1-NE2 2.73Å; L130-H134 VanDerWaalsContact C-CD2 3.49Å; L130-H134 PolarHBondContact O-CD2 3.43Å; L130-H134 PolarHBondContact O-N 3.26Å; S131-H134 PolarHBondContact O-N 3.02Å; S131-H134 VanDerWaalsContact O-N 3.12Å; H134-K136 VanDerWaalsContact C-N 3.34Å; H134-K136 PolarHBondContact O-N 2.86Å; H134-R137 PolarHBondContact ND1-NH2 3.47Å; H134-R137 WeakPolarHBondContact O-CB 3.42Å; H134-R137 PolarHBondContact O-N 2.69Å; H134-R137 VanDerWaalsContact O-N 3.16Å; H134-S138 PolarHBondContact O-N 3.08Å
135V94.5Very high93.5Very high67 Ų6763.2 Ų63.241%0.40632%0.321SS..Hα-helixtrans-56.5-50.3174.8171.50000109.7S131 R137 S138 F139S131-V135 VanDerWaalsContact O-CG2 3.29Å; S131-V135 WeakPolarHBondContact O-CG2 3.48Å; S131-V135 PolarHBondContact O-N 3.14Å; V135-R137 VanDerWaalsContact C-N 3.29Å; V135-R137 PolarHBondContact O-N 3.06Å; V135-S138 PolarHBondContact O-N 2.61Å; V135-S138 VanDerWaalsContact O-N 3.12Å; V135-S138 PolarHBondContact O-OG 3.44Å; V135-F139 HydrophobicContact CG1-CD2 4.01Å; V135-F139 HydrophobicContact CG1-CE2 3.51Å; V135-F139 WeakPolarHBondContact O-CD2 3.37Å
136K91.6Very high93.3Very high63 Ų6362.9 Ų62.927%0.27432%0.321SS..Hα-helixtrans-61.4-36.6177.3-66.9170.3-163.4-49.70112.9T78 T81 V82 L85 D132 M133 H134 S138 F139T78-K136 WeakPolarHBondContact CG2-O 3.27Å; T81-K136 HydrophobicContact CG2-CD 3.63Å; T81-K136 HydrophobicContact CG2-CG 4.41Å; V82-K136 HydrophobicContact CG2-CB 4.29Å; V82-K136 HydrophobicContact CG2-CD 4.42Å; L85-K136 HydrophobicContact CD2-CD 4.12Å; D132-K136 VanDerWaalsContact O-CG 3.29Å; D132-K136 WeakPolarHBondContact O-CG 3.36Å; D132-K136 PolarHBondContact O-N 3.4Å; M133-K136 PolarHBondContact O-N 3.34Å; H134-K136 VanDerWaalsContact C-N 3.34Å; H134-K136 PolarHBondContact O-N 2.86Å; K136-S138 VanDerWaalsContact C-N 3.29Å; K136-S138 PolarHBondContact O-N 3.32Å; K136-F139 PolarHBondContact O-N 3.24Å
137R89.3Confident92.9Very high79 Ų7967.4 Ų67.430%0.29834%0.344SS..Hα-helixtrans-63.7-34.1176.7-167176.465.7-175.10.1112.3F73 C103 M133 H134 V135 F139 Q140F73-R137 HydrophobicContact CD1-CB 4.38Å; F73-R137 HydrophobicContact CD1-CG 4.05Å; F73-R137 HydrophobicContact CE1-CB 3.8Å; F73-R137 HydrophobicContact CE1-CG 3.73Å; C103-R137 PolarHBondContact SG-NH1 2.87Å; M133-R137 PolarHBondContact O-N 3.45Å; H134-R137 PolarHBondContact ND1-NH2 3.47Å; H134-R137 WeakPolarHBondContact O-CB 3.42Å; H134-R137 PolarHBondContact O-N 2.69Å; H134-R137 VanDerWaalsContact O-N 3.16Å; V135-R137 VanDerWaalsContact C-N 3.29Å; V135-R137 PolarHBondContact O-N 3.06Å; R137-F139 VanDerWaalsContact C-N 3.34Å; R137-Q140 WeakPolarHBondContact O-CG 3.49Å; R137-Q140 PolarHBondContact O-NE2 3.4Å
138S87.6Confident92.5Very high86 Ų8667.2 Ų67.260%0.60134%0.341SS*.Hα-helixtrans-74-22-17774.40000114.2H134 V135 K136H134-S138 PolarHBondContact O-N 3.08Å; V135-S138 PolarHBondContact O-N 2.61Å; V135-S138 VanDerWaalsContact O-N 3.12Å; V135-S138 PolarHBondContact O-OG 3.44Å; K136-S138 VanDerWaalsContact C-N 3.29Å; K136-S138 PolarHBondContact O-N 3.32Å
139F80.9Confident92Very high166 Ų16661.7 Ų61.773%0.72832%0.318SS*.THydrogen-bonded Turntrans-97.926.7-174.2-67.9-60.7000114.6V135 K136 R137V135-F139 HydrophobicContact CG1-CD2 4.01Å; V135-F139 HydrophobicContact CG1-CE2 3.51Å; V135-F139 WeakPolarHBondContact O-CD2 3.37Å; K136-F139 PolarHBondContact O-N 3.24Å; R137-F139 VanDerWaalsContact C-N 3.34Å
140Q79.4Confident91.5Very high95 Ų9566.6 Ų66.644%0.44434%0.344SS..  trans-116.20-172.181.6-178.1-68.700115.1K72 N75 T78 R137K72-Q140 PolarHBondContact O-NE2 2.83Å; N75-Q140 HydrophobicContact CB-CB 3.78Å; T78-Q140 HydrophobicContact CG2-CB 4.26Å; T78-Q140 VanDerWaalsContact OG1-CB 3.31Å; T78-Q140 WeakPolarHBondContact OG1-CB 3.3Å; R137-Q140 WeakPolarHBondContact O-CG 3.49Å; R137-Q140 PolarHBondContact O-NE2 3.4Å

Retrieved 140 of 140 residues in 99.7 ms (Link to these results)

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