X6R9U5_HUMAN Loading...

E3 ubiquitin-protein ligase TRIM13

AlphaFold DB , UniProt , Accession X6R9U5, Species HUMAN (Homo sapiens, Human), Gene TRIM13, Length 266 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
1M59.1Low82.1Confident128 Ų12887.3 Ų87.363%0.63145%0.448SS*.  0-34.20-156.1168.7-83.200110.5L3 L4 E5 Y82 I85M1-L3 PolarHBondContact O-N 3.43Å; M1-L4 PolarHBondContact O-N 3.14Å; M1-E5 PolarHBondContact O-N 3.01Å; M1-Y82 HydrophobicContact CG-CE2 3.91Å; M1-I85 HydrophobicContact CE-CG2 3.87Å
2E58.5Low83.1Confident163 Ų16385.2 Ų85.276%0.76244%0.437SS*.Hα-helixtrans-58.2-43.4172.9-66.6173.1174.400113.4L4 E5 E6E2-L4 PolarHBondContact O-N 2.91Å; E2-L4 VanDerWaalsContact O-N 3.13Å; E2-E5 WeakPolarHBondContact O-CB 2.74Å; E2-E5 PolarHBondContact O-N 2.71Å; E2-E6 PolarHBondContact O-N 3.12Å
3L68.3Low83.9Confident140 Ų14082.5 Ų82.573%0.73343%0.43SS*.Hα-helixtrans-57.7-28.6177.1-66.4167.7000114.4M1M1-L3 PolarHBondContact O-N 3.43Å
4L81.3Confident84.5Confident88 Ų8883.8 Ų83.846%0.46145%0.447SS..Hα-helixtrans-86.3-23.7179-172.965.4000111.9M1 E2 E6 D7 L8 Y82M1-L4 PolarHBondContact O-N 3.14Å; E2-L4 PolarHBondContact O-N 2.91Å; E2-L4 VanDerWaalsContact O-N 3.13Å; L4-E6 VanDerWaalsContact C-N 3.33Å; L4-D7 PolarHBondContact O-N 3.22Å; L4-L8 HydrophobicContact CG-CD1 4.21Å; L4-L8 VanDerWaalsContact O-CG 3.31Å; L4-L8 WeakPolarHBondContact O-CG 3.32Å; L4-L8 PolarHBondContact O-N 3.39Å; L4-Y82 HydrophobicContact CD2-CD2 4.24Å
5E86Confident85.1Confident58 Ų5882.7 Ų82.727%0.27145%0.449SS..Hα-helixtrans-68.1-37.6177.8-168.3157.4163.900110.9M1 E2 D7 L8 T9 L16 Y82 K86M1-E5 PolarHBondContact O-N 3.01Å; E2-E5 WeakPolarHBondContact O-CB 2.74Å; E2-E5 PolarHBondContact O-N 2.71Å; E5-D7 VanDerWaalsContact C-N 3.35Å; E5-D7 PolarHBondContact O-N 3.05Å; E5-L8 CarbonylContact O-C 3.56Å; E5-L8 PolarHBondContact O-N 2.94Å; E5-L8 VanDerWaalsContact O-N 3.14Å; E5-T9 WeakPolarHBondContact O-CB 3.5Å; E5-T9 PolarHBondContact O-N 3.43Å; E5-T9 PolarHBondContact O-OG1 3.46Å; E5-L16 HydrophobicContact CG-CD2 4.16Å; E5-Y82 HydrophobicContact CB-CE1 4.37Å; E5-Y82 WeakPolarHBondContact CB-OH 3.42Å; E5-Y82 HydrophobicContact CG-CE1 4.1Å; E5-Y82 PolarHBondContact OE2-OH 2.72Å; E5-K86 IonicContact OE1-NZ 3.92Å; E5-K86 PolarHBondContact OE1-NZ 3.45Å; E5-K86 IonicContact OE2-NZ 3.61Å; E5-K86 PolarHBondContact OE2-NZ 3.02Å
6E85.4Confident85.6Confident141 Ų14179.7 Ų79.766%0.65943%0.432SS*.Hα-helixtrans-58.1-45.6175.3-66.2179.4-174.200111.6E2 L4 L8 T9E2-E6 PolarHBondContact O-N 3.12Å; L4-E6 VanDerWaalsContact C-N 3.33Å; E6-L8 PolarHBondContact O-N 3.27Å; E6-T9 PolarHBondContact O-N 2.96Å
7D88.5Confident86.2Confident123 Ų12376.1 Ų76.166%0.65841%0.411SS*.Hα-helixtrans-67.2-19178.6-70.7-27.9000113.8L4 E5L4-D7 PolarHBondContact O-N 3.22Å; E5-D7 VanDerWaalsContact C-N 3.35Å; E5-D7 PolarHBondContact O-N 3.05Å
8L93.3Very high86.7Confident8 Ų876.8 Ų76.84%0.04242%0.415CS..THydrogen-bonded Turntrans-104.28.4-178.8-62.9179.7000113.2L4 E5 E6 L16 F17 L75 I78 V79 Y82L4-L8 HydrophobicContact CG-CD1 4.21Å; L4-L8 VanDerWaalsContact O-CG 3.31Å; L4-L8 WeakPolarHBondContact O-CG 3.32Å; L4-L8 PolarHBondContact O-N 3.39Å; E5-L8 CarbonylContact O-C 3.56Å; E5-L8 PolarHBondContact O-N 2.94Å; E5-L8 VanDerWaalsContact O-N 3.14Å; E6-L8 PolarHBondContact O-N 3.27Å; L8-L16 HydrophobicContact CB-CD2 3.71Å; L8-L16 WeakPolarHBondContact O-CA 3.39Å; L8-F17 VanDerWaalsContact C-CD2 3.5Å; L8-F17 WeakPolarHBondContact O-CD2 3.42Å; L8-F17 PolarHBondContact O-N 3.22Å; L8-F17 VanDerWaalsContact O-N 3.09Å; L8-L75 HydrophobicContact CD2-CD1 3.71Å; L8-I78 HydrophobicContact CD1-CG2 3.92Å; L8-I78 HydrophobicContact CD2-CB 4.33Å; L8-I78 HydrophobicContact CD2-CG2 3.57Å; L8-I78 HydrophobicContact CG-CG2 4.4Å; L8-V79 HydrophobicContact CB-CG2 4.18Å; L8-V79 HydrophobicContact CD2-CG2 4.28Å; L8-Y82 HydrophobicContact CD1-CD1 4.31Å; L8-Y82 HydrophobicContact CD1-CD2 4.09Å; L8-Y82 HydrophobicContact CD1-CG 3.79Å
9T94.3Very high87.1Confident36 Ų3674.6 Ų74.622%0.22140%0.403CS..BIsolated β-bridgetrans-101.3132.7-175.1-68.20000111.5E5 E6 F17E5-T9 WeakPolarHBondContact O-CB 3.5Å; E5-T9 PolarHBondContact O-N 3.43Å; E5-T9 PolarHBondContact O-OG1 3.46Å; E6-T9 PolarHBondContact O-N 2.96Å; T9-F17 WeakPolarHBondContact O-CE2 3.41Å; T9-F17 WeakPolarHBondContact O-CZ 3.29Å
10C95.4Very high87.5Confident0 Ų070.9 Ų70.90%038%0.383CS..  trans-69.1127.9173.2177.50000110.1I12 C13 C14 S15 F17 C30C10-I12 PolarHBondContact O-N 3.5Å; C10-I12 VanDerWaalsContact O-N 3.08Å; C10-C13 VanDerWaalsContact CB-SG 3.55Å; C10-C14 VanDerWaalsContact O-CA 3.26Å; C10-C14 WeakPolarHBondContact O-CA 2.82Å; C10-C14 PolarHBondContact O-N 3.23Å; C10-S15 WeakPolarHBondContact CB-O 3.46Å; C10-S15 PolarHBondContact N-O 3.16Å; C10-F17 VanDerWaalsContact CA-CE1 3.42Å; C10-F17 HydrophobicContact CB-CD1 3.66Å; C10-F17 HydrophobicContact CB-CE1 3.61Å; C10-F17 HydrophobicContact CB-CG 4.36Å; C10-F17 HydrophobicContact CB-CZ 4.28Å; C10-C30 WeakPolarHBondContact CB-SG 3.37Å; C10-C30 VanDerWaalsContact SG-SG 3.68Å
11P93.1Very high87.8Confident75 Ų7569 Ų6949%0.48737%0.37SS..THydrogen-bonded Turntrans-71-6.3-176.530.8-39000114F29P11-F29 HydrophobicContact CG-CD1 3.75Å; P11-F29 HydrophobicContact CG-CE1 3.46Å; P11-F29 VanDerWaalsContact CG-CE1 3.46Å
12I93.6Very high89.5Confident62 Ų6264.8 Ų64.832%0.31835%0.352SS..THydrogen-bonded Turntrans-94.5-55.2178.2-61.3163.5000111C10 F29 C33 I37 P55C10-I12 PolarHBondContact O-N 3.5Å; C10-I12 VanDerWaalsContact O-N 3.08Å; I12-F29 HydrophobicContact CD1-CB 4.08Å; I12-F29 HydrophobicContact CD1-CD1 3.3Å; I12-F29 HydrophobicContact CD1-CE1 3.99Å; I12-F29 HydrophobicContact CD1-CG 3.92Å; I12-F29 HydrophobicContact CG1-CD1 3.76Å; I12-F29 HydrophobicContact CG1-CE1 4.18Å; I12-C33 HydrophobicContact CB-CB 3.9Å; I12-C33 HydrophobicContact CD1-CB 3.64Å; I12-C33 HydrophobicContact CG1-CB 4.41Å; I12-C33 HydrophobicContact CG2-CB 3.84Å; I12-I37 HydrophobicContact CD1-CD1 3.52Å; I12-I37 HydrophobicContact CG1-CD1 4.35Å; I12-P55 HydrophobicContact CD1-CG 4.12Å
13C94.3Very high91.1Very high51 Ų5157.2 Ų57.235%0.34532%0.317SS..THydrogen-bonded Turntrans-91.2-1.7-178.660.90000113.8C10 S15 C33C10-C13 VanDerWaalsContact CB-SG 3.55Å; C13-S15 PolarHBondContact O-N 3.41Å; C13-S15 PolarHBondContact O-OG 3.04Å; C13-C33 VanDerWaalsContact CB-SG 3.59Å; C13-C33 VanDerWaalsContact SG-SG 3.62Å
14C91.9Very high92.1Very high100 Ų10055 Ų5568%0.67631%0.31SS*.SBendtrans48.231.5-176.4-58.20000112.9C10C10-C14 VanDerWaalsContact O-CA 3.26Å; C10-C14 WeakPolarHBondContact O-CA 2.82Å; C10-C14 PolarHBondContact O-N 3.23Å
15S92.9Very high92.6Very high67 Ų6752 Ų5247%0.46930%0.297SS..SBendtrans-125.4159.2178.5-55.70000109.3C10 C13C10-S15 WeakPolarHBondContact CB-O 3.46Å; C10-S15 PolarHBondContact N-O 3.16Å; C13-S15 PolarHBondContact O-N 3.41Å; C13-S15 PolarHBondContact O-OG 3.04Å
16L93.9Very high92.8Very high35 Ų3553.6 Ų53.618%0.18331%0.314CS..BIsolated β-bridgetrans-50.3142.3174.8-68.2176.5000111.5E5 L8 D18 V79 Y82 N83E5-L16 HydrophobicContact CG-CD2 4.16Å; L8-L16 HydrophobicContact CB-CD2 3.71Å; L8-L16 WeakPolarHBondContact O-CA 3.39Å; L16-D18 PolarHBondContact O-N 2.95Å; L16-D18 VanDerWaalsContact O-N 3.16Å; L16-V79 HydrophobicContact CB-CG1 3.97Å; L16-V79 HydrophobicContact CD1-CG1 4.43Å; L16-Y82 HydrophobicContact CD1-CD1 3.87Å; L16-Y82 HydrophobicContact CD1-CE1 4.08Å; L16-Y82 HydrophobicContact CD2-CD1 4.13Å; L16-Y82 HydrophobicContact CD2-CE1 4.19Å; L16-N83 WeakPolarHBondContact CD1-OD1 2.99Å
17F95.8Very high93.2Very high18 Ų1849.9 Ų49.98%0.07930%0.297CS..  trans-58.3120.3-177.2-72.8-77.2000113L8 T9 C10 P20 N28 L75 V79L8-F17 VanDerWaalsContact C-CD2 3.5Å; L8-F17 WeakPolarHBondContact O-CD2 3.42Å; L8-F17 PolarHBondContact O-N 3.22Å; L8-F17 VanDerWaalsContact O-N 3.09Å; T9-F17 WeakPolarHBondContact O-CE2 3.41Å; T9-F17 WeakPolarHBondContact O-CZ 3.29Å; C10-F17 VanDerWaalsContact CA-CE1 3.42Å; C10-F17 HydrophobicContact CB-CD1 3.66Å; C10-F17 HydrophobicContact CB-CE1 3.61Å; C10-F17 HydrophobicContact CB-CG 4.36Å; C10-F17 HydrophobicContact CB-CZ 4.28Å; F17-P20 HydrophobicContact CB-CB 3.96Å; F17-P20 HydrophobicContact CB-CG 4.26Å; F17-P20 HydrophobicContact CD1-CB 4.17Å; F17-P20 HydrophobicContact CG-CB 4.23Å; F17-N28 HydrophobicContact CE1-CB 3.99Å; F17-N28 WeakPolarHBondContact CE1-O 3.46Å; F17-N28 HydrophobicContact CZ-CB 4.13Å; F17-L75 HydrophobicContact CB-CD2 4.48Å; F17-L75 HydrophobicContact CB-CG 4.47Å; F17-L75 HydrophobicContact CD1-CD2 4.35Å; F17-L75 HydrophobicContact CD2-CD1 3.95Å; F17-L75 HydrophobicContact CD2-CD2 3.6Å; F17-L75 HydrophobicContact CD2-CG 3.93Å; F17-L75 HydrophobicContact CE2-CD1 4.37Å; F17-L75 HydrophobicContact CE2-CD2 3.81Å; F17-L75 HydrophobicContact CG-CD2 3.9Å; F17-L75 HydrophobicContact CG-CG 4.31Å; F17-L75 HydrophobicContact CZ-CD2 4.27Å; F17-V79 HydrophobicContact CB-CG2 4.18Å
18D94.3Very high93.5Very high90 Ų9045.7 Ų45.748%0.48127%0.274SS..SBendtrans-107.5120.1171-179.435.3000109.3L16 C30 K32L16-D18 PolarHBondContact O-N 2.95Å; L16-D18 VanDerWaalsContact O-N 3.16Å; D18-C30 PolarHBondContact N-SG 3.3Å; D18-C30 WeakPolarHBondContact O-CA 3.43Å; D18-C30 WeakPolarHBondContact O-CB 3.33Å; D18-K32 IonicContact OD2-NZ 2.95Å
19D94.5Very high93.6Very high34 Ų3445.3 Ų45.318%0.18227%0.272CS..SBendtrans45.164.5-171.1-168.932.8000113.2R21 K31D19-R21 PolarHBondContact O-N 3.45Å; D19-R21 IonicContact OD1-CZ 3.75Å; D19-R21 IonicContact OD1-NE 3.39Å; D19-R21 IonicContact OD1-NH2 3.9Å; D19-R21 PolarHBondContact OD1-NH2 3.37Å; D19-R21 IonicContact OD2-CZ 3.24Å; D19-R21 IonicContact OD2-NE 2.73Å; D19-R21 PolarHBondContact OD2-NE 3.45Å; D19-R21 IonicContact OD2-NH2 3.84Å; D19-R21 PolarHBondContact OD2-NH2 2.88Å; D19-K31 HydrophobicContact CB-CB 4.07Å; D19-K31 PolarHBondContact O-N 3.33Å; D19-K31 VanDerWaalsContact OD2-CB 3.27Å; D19-K31 WeakPolarHBondContact OD2-CB 3.27Å; D19-K31 WeakPolarHBondContact OD2-CD 3.28Å
20P96Very high93.7Very high0 Ų043.7 Ų43.70%026%0.263CS..EExtended strand (participates in β ladder)trans-64.4122.8-174.622.6-31.3000111.9F17 F29 V71 N72 L75 K76F17-P20 HydrophobicContact CB-CB 3.96Å; F17-P20 HydrophobicContact CB-CG 4.26Å; F17-P20 HydrophobicContact CD1-CB 4.17Å; F17-P20 HydrophobicContact CG-CB 4.23Å; P20-F29 CarbonylContact C-O 3.59Å; P20-F29 WeakPolarHBondContact CA-O 3.34Å; P20-V71 CarbonylContact O-C 3.57Å; P20-V71 WeakPolarHBondContact O-CA 3.26Å; P20-N72 HydrophobicContact CB-CB 4.36Å; P20-N72 HydrophobicContact CG-CB 4.45Å; P20-N72 PolarHBondContact O-N 3.28Å; P20-L75 HydrophobicContact CB-CD2 3.88Å; P20-L75 HydrophobicContact CB-CG 4.27Å; P20-L75 HydrophobicContact CG-CB 4.26Å; P20-L75 HydrophobicContact CG-CD2 4.39Å; P20-L75 HydrophobicContact CG-CG 4.24Å; P20-K76 HydrophobicContact CG-CB 3.87Å
21R94.3Very high93.6Very high31 Ų3146.1 Ų46.112%0.11727%0.273CS..EExtended strand (participates in β ladder)trans-101.5132.7173.8-58.4-62.6172.9161.8-9.9109.9D19 N28 F29 K31 L34 I66 L69 Q70D19-R21 PolarHBondContact O-N 3.45Å; D19-R21 IonicContact OD1-CZ 3.75Å; D19-R21 IonicContact OD1-NE 3.39Å; D19-R21 IonicContact OD1-NH2 3.9Å; D19-R21 PolarHBondContact OD1-NH2 3.37Å; D19-R21 IonicContact OD2-CZ 3.24Å; D19-R21 IonicContact OD2-NE 2.73Å; D19-R21 PolarHBondContact OD2-NE 3.45Å; D19-R21 IonicContact OD2-NH2 3.84Å; D19-R21 PolarHBondContact OD2-NH2 2.88Å; R21-N28 WeakPolarHBondContact O-CA 3.37Å; R21-F29 PolarHBondContact N-O 3.44Å; R21-F29 PolarHBondContact O-N 3.32Å; R21-F29 VanDerWaalsContact O-N 3.08Å; R21-K31 HydrophobicContact CG-CB 3.98Å; R21-L34 HydrophobicContact CB-CD1 3.7Å; R21-L34 HydrophobicContact CG-CD1 4.27Å; R21-I66 HydrophobicContact CG-CG2 4.41Å; R21-L69 HydrophobicContact CB-CB 4.09Å; R21-L69 HydrophobicContact CB-CD1 4.31Å; R21-L69 PolarHBondContact NH1-O 3.46Å; R21-Q70 WeakPolarHBondContact CA-O 3.37Å
22V93.8Very high93.7Very high41 Ų4149.2 Ų49.225%0.24828%0.279CS..EExtended strand (participates in β ladder)trans-96.4126.1177.263.30000110.5Q70 N72V22-Q70 HydrophobicContact CG1-CB 3.99Å; V22-Q70 PolarHBondContact N-O 2.97Å; V22-N72 HydrophobicContact CB-CB 4.5Å
23L91.4Very high93.7Very high4 Ų447.2 Ų47.22%0.02127%0.27CS..PPolyproline II helixtrans-80.6160.6171.9-83.267.2000110.2C25 S26 H27 F29 L34 F52 C54 T61 L69L23-C25 PolarHBondContact O-N 3.48Å; L23-S26 WeakPolarHBondContact O-CA 3.4Å; L23-S26 PolarHBondContact O-N 3.36Å; L23-H27 PolarHBondContact N-O 3.05Å; L23-F29 HydrophobicContact CD1-CD2 3.63Å; L23-F29 HydrophobicContact CD1-CE2 3.95Å; L23-F29 HydrophobicContact CD2-CE2 4.17Å; L23-L34 HydrophobicContact CD1-CD1 3.98Å; L23-L34 HydrophobicContact CD1-CD2 4.23Å; L23-F52 HydrophobicContact CD2-CE2 4.11Å; L23-F52 HydrophobicContact CD2-CZ 4.39Å; L23-C54 HydrophobicContact CD2-CB 3.79Å; L23-T61 HydrophobicContact CG-CG2 4.42Å; L23-L69 HydrophobicContact CD1-CD1 4.11Å
24P89.3Confident93.4Very high92 Ų9244.8 Ų44.860%0.59725%0.254SS*.THydrogen-bonded Turntrans-57.3-20.4173.7-25.535.1000114.5S26 T61P24-S26 PolarHBondContact O-N 3.23Å; P24-T61 HydrophobicContact CG-CG2 4.34Å
25C91.9Very high93.3Very high26 Ų2642.9 Ų42.918%0.17624%0.235CC..THydrogen-bonded Turntrans-83.18.7171.965.30000114.2L23 H27 C57 K59L23-C25 PolarHBondContact O-N 3.48Å; C25-H27 PolarHBondContact O-N 3.47Å; C25-H27 PolarHBondContact O-ND1 3.09Å; C25-C57 VanDerWaalsContact SG-SG 3.67Å; C25-K59 HydrophobicContact CB-CB 4.33Å; C25-K59 HydrophobicContact CB-CD 3.95Å
26S91.9Very high92.8Very high91 Ų9141.8 Ų41.864%0.63623%0.234SC*.SBendtrans67.92.1179.9-510000116.8L23 P24 N28L23-S26 WeakPolarHBondContact O-CA 3.4Å; L23-S26 PolarHBondContact O-N 3.36Å; P24-S26 PolarHBondContact O-N 3.23Å; S26-N28 PolarHBondContact O-ND2 3.38Å
27H93.6Very high92.3Very high63 Ų6343 Ų4329%0.29224%0.24SC..  trans-75.9145.9171.1-68.398.8000111.5L23 C25 F29 T56L23-H27 PolarHBondContact N-O 3.05Å; C25-H27 PolarHBondContact O-N 3.47Å; C25-H27 PolarHBondContact O-ND1 3.09Å; H27-F29 HydrophobicContact CB-CE2 3.65Å; H27-F29 HydrophobicContact CB-CZ 3.94Å; H27-T56 WeakPolarHBondContact NE2-CG2 3.48Å
28N94.9Very high91.5Very high35 Ų3544.2 Ų44.219%0.18725%0.247CC..EExtended strand (participates in β ladder)trans-113.7142.3-175.4-56.6-88.8000110.1F17 R21 S26 N72 L75F17-N28 HydrophobicContact CE1-CB 3.99Å; F17-N28 WeakPolarHBondContact CE1-O 3.46Å; F17-N28 HydrophobicContact CZ-CB 4.13Å; R21-N28 WeakPolarHBondContact O-CA 3.37Å; S26-N28 PolarHBondContact O-ND2 3.38Å; N28-N72 WeakPolarHBondContact OD1-CB 3.37Å; N28-N72 PolarHBondContact OD1-ND2 3.48Å; N28-L75 HydrophobicContact CB-CD2 3.67Å
29F94.9Very high90.3Very high0 Ų046.5 Ų46.50%026%0.255CS..EExtended strand (participates in β ladder)trans-147.3154.3176.2-54.6-86.9000109.9P11 I12 P20 R21 L23 H27 L34 P55 T56P11-F29 HydrophobicContact CG-CD1 3.75Å; P11-F29 HydrophobicContact CG-CE1 3.46Å; P11-F29 VanDerWaalsContact CG-CE1 3.46Å; I12-F29 HydrophobicContact CD1-CB 4.08Å; I12-F29 HydrophobicContact CD1-CD1 3.3Å; I12-F29 HydrophobicContact CD1-CE1 3.99Å; I12-F29 HydrophobicContact CD1-CG 3.92Å; I12-F29 HydrophobicContact CG1-CD1 3.76Å; I12-F29 HydrophobicContact CG1-CE1 4.18Å; P20-F29 CarbonylContact C-O 3.59Å; P20-F29 WeakPolarHBondContact CA-O 3.34Å; R21-F29 PolarHBondContact N-O 3.44Å; R21-F29 PolarHBondContact O-N 3.32Å; R21-F29 VanDerWaalsContact O-N 3.08Å; L23-F29 HydrophobicContact CD1-CD2 3.63Å; L23-F29 HydrophobicContact CD1-CE2 3.95Å; L23-F29 HydrophobicContact CD2-CE2 4.17Å; H27-F29 HydrophobicContact CB-CE2 3.65Å; H27-F29 HydrophobicContact CB-CZ 3.94Å; F29-L34 HydrophobicContact CB-CD1 4.14Å; F29-L34 HydrophobicContact CB-CD2 3.79Å; F29-L34 HydrophobicContact CB-CG 3.77Å; F29-L34 HydrophobicContact CD2-CD2 3.9Å; F29-L34 HydrophobicContact CG-CD2 3.95Å; F29-L34 HydrophobicContact CG-CG 4.47Å; F29-P55 HydrophobicContact CE1-CB 3.91Å; F29-P55 HydrophobicContact CE1-CG 4.04Å; F29-P55 HydrophobicContact CZ-CB 4.13Å; F29-P55 HydrophobicContact CZ-CG 4.13Å; F29-T56 VanDerWaalsContact CZ-OG1 3.3Å; F29-T56 WeakPolarHBondContact CZ-OG1 3.47Å
30C96.5Very high88.7Confident3 Ų347.1 Ų47.12%0.0227%0.27CS..EExtended strand (participates in β ladder)trans-62.6142.3172.2-53.60000110.3C10 D18 K32 C33 L34C10-C30 WeakPolarHBondContact CB-SG 3.37Å; C10-C30 VanDerWaalsContact SG-SG 3.68Å; D18-C30 PolarHBondContact N-SG 3.3Å; D18-C30 WeakPolarHBondContact O-CA 3.43Å; D18-C30 WeakPolarHBondContact O-CB 3.33Å; C30-K32 VanDerWaalsContact C-N 3.3Å; C30-K32 PolarHBondContact O-N 2.93Å; C30-C33 HydrophobicContact CB-CB 4.11Å; C30-C33 WeakPolarHBondContact O-CB 3.45Å; C30-C33 PolarHBondContact O-N 2.99Å; C30-L34 PolarHBondContact O-N 3.48Å; C30-L34 VanDerWaalsContact O-N 3.11Å
31K93.5Very high87Confident50 Ų5050.1 Ų50.122%0.21729%0.29CS..Hα-helixtrans-49.7-50.6176177.2175.6171.6173.50112.1D19 R21 C33 L34 E35 I66 N67D19-K31 HydrophobicContact CB-CB 4.07Å; D19-K31 PolarHBondContact O-N 3.33Å; D19-K31 VanDerWaalsContact OD2-CB 3.27Å; D19-K31 WeakPolarHBondContact OD2-CB 3.27Å; D19-K31 WeakPolarHBondContact OD2-CD 3.28Å; R21-K31 HydrophobicContact CG-CB 3.98Å; K31-C33 VanDerWaalsContact C-N 3.28Å; K31-C33 PolarHBondContact O-N 3.48Å; K31-L34 PolarHBondContact O-N 3.15Å; K31-L34 VanDerWaalsContact O-N 3.11Å; K31-E35 WeakPolarHBondContact CE-OE1 3.33Å; K31-E35 HydrophobicContact CG-CG 4.4Å; K31-E35 IonicContact NZ-OE1 3.56Å; K31-E35 WeakPolarHBondContact O-CG 3.43Å; K31-E35 PolarHBondContact O-N 3.1Å; K31-I66 HydrophobicContact CG-CG2 3.97Å; K31-N67 WeakPolarHBondContact CE-OD1 3.44Å; K31-N67 PolarHBondContact NZ-OD1 3.47Å
32K93.7Very high85Confident141 Ų14153.4 Ų53.461%0.61331%0.314SS*.Hα-helixtrans-60.3-34.8178.8-66.6176.3-177.5158.80113.4D18 C30 E35 G36D18-K32 IonicContact OD2-NZ 2.95Å; C30-K32 VanDerWaalsContact C-N 3.3Å; C30-K32 PolarHBondContact O-N 2.93Å; K32-E35 PolarHBondContact O-N 3.23Å; K32-G36 PolarHBondContact O-N 3.49Å
33C93.5Very high83Confident20 Ų2062.2 Ų62.214%0.13534%0.342CS..Hα-helixtrans-68.6-37.9177.5-67.10000111.5I12 C13 C30 K31 I37I12-C33 HydrophobicContact CB-CB 3.9Å; I12-C33 HydrophobicContact CD1-CB 3.64Å; I12-C33 HydrophobicContact CG1-CB 4.41Å; I12-C33 HydrophobicContact CG2-CB 3.84Å; C13-C33 VanDerWaalsContact CB-SG 3.59Å; C13-C33 VanDerWaalsContact SG-SG 3.62Å; C30-C33 HydrophobicContact CB-CB 4.11Å; C30-C33 WeakPolarHBondContact O-CB 3.45Å; C30-C33 PolarHBondContact O-N 2.99Å; K31-C33 VanDerWaalsContact C-N 3.28Å; K31-C33 PolarHBondContact O-N 3.48Å; C33-I37 WeakPolarHBondContact O-CG1 3.47Å; C33-I37 PolarHBondContact O-N 3.07Å
34L89.5Confident81Confident0 Ų068.9 Ų68.90%038%0.378CS..Hα-helixtrans-69.2-37.9172.7-63.5174.3000111.3R21 L23 F29 C30 K31 I37 L38 F52 I66 L69R21-L34 HydrophobicContact CB-CD1 3.7Å; R21-L34 HydrophobicContact CG-CD1 4.27Å; L23-L34 HydrophobicContact CD1-CD1 3.98Å; L23-L34 HydrophobicContact CD1-CD2 4.23Å; F29-L34 HydrophobicContact CB-CD1 4.14Å; F29-L34 HydrophobicContact CB-CD2 3.79Å; F29-L34 HydrophobicContact CB-CG 3.77Å; F29-L34 HydrophobicContact CD2-CD2 3.9Å; F29-L34 HydrophobicContact CG-CD2 3.95Å; F29-L34 HydrophobicContact CG-CG 4.47Å; C30-L34 PolarHBondContact O-N 3.48Å; C30-L34 VanDerWaalsContact O-N 3.11Å; K31-L34 PolarHBondContact O-N 3.15Å; K31-L34 VanDerWaalsContact O-N 3.11Å; L34-I37 PolarHBondContact O-N 2.99Å; L34-L38 PolarHBondContact O-N 3.44Å; L34-L38 VanDerWaalsContact O-N 3.07Å; L34-F52 HydrophobicContact CD2-CE2 4.18Å; L34-I66 HydrophobicContact CB-CD1 3.96Å; L34-I66 HydrophobicContact CB-CG1 3.9Å; L34-I66 HydrophobicContact CB-CG2 4.1Å; L34-I66 HydrophobicContact CD1-CG2 4.35Å; L34-I66 WeakPolarHBondContact O-CD1 3.5Å; L34-L69 HydrophobicContact CD1-CD1 3.67Å
35E88.7Confident79.2Confident60 Ų6068 Ų6828%0.2837%0.374SS..Hα-helixtrans-59.6-48.7177.5-71.9172.3158.300110.9K31 K32 I37 L38 E39 I66K31-E35 WeakPolarHBondContact CE-OE1 3.33Å; K31-E35 HydrophobicContact CG-CG 4.4Å; K31-E35 IonicContact NZ-OE1 3.56Å; K31-E35 WeakPolarHBondContact O-CG 3.43Å; K31-E35 PolarHBondContact O-N 3.1Å; K32-E35 PolarHBondContact O-N 3.23Å; E35-I37 VanDerWaalsContact C-N 3.3Å; E35-I37 PolarHBondContact O-N 3.33Å; E35-L38 PolarHBondContact O-N 2.71Å; E35-E39 WeakPolarHBondContact O-CG 3.27Å; E35-E39 PolarHBondContact O-N 3.14Å; E35-I66 HydrophobicContact CB-CD1 3.93Å; E35-I66 HydrophobicContact CG-CD1 3.42Å; E35-I66 VanDerWaalsContact CG-CD1 3.42Å; E35-I66 HydrophobicContact CG-CG2 4.46Å
36G84Confident77.3Confident44 Ų4474.6 Ų74.645%0.45441%0.407SS..Hα-helixtrans-60.7-34.3176.800000114.1K32 G40K32-G36 PolarHBondContact O-N 3.49Å; G36-G40 PolarHBondContact O-N 2.89Å; G36-G40 VanDerWaalsContact O-N 3.08Å
37I82.4Confident75.3Confident59 Ų5981.6 Ų81.630%0.30342%0.42SS..Hα-helixtrans-69.2-43.5176.5-69.3169000111I12 C33 L34 E35 G40 S41 P55I12-I37 HydrophobicContact CD1-CD1 3.52Å; I12-I37 HydrophobicContact CG1-CD1 4.35Å; C33-I37 WeakPolarHBondContact O-CG1 3.47Å; C33-I37 PolarHBondContact O-N 3.07Å; L34-I37 PolarHBondContact O-N 2.99Å; E35-I37 VanDerWaalsContact C-N 3.3Å; E35-I37 PolarHBondContact O-N 3.33Å; I37-G40 PolarHBondContact O-N 3.04Å; I37-S41 PolarHBondContact O-N 3.26Å; I37-S41 VanDerWaalsContact O-N 3.08Å; I37-P55 HydrophobicContact CD1-CG 3.58Å
38L78.1Confident73.2Confident44 Ų4489.1 Ų89.123%0.2345%0.445CS..Hα-helixtrans-68.3-42.7179.3-93.4125.8000111.8L34 E35 G40 S41 V42 F52 I66L34-L38 PolarHBondContact O-N 3.44Å; L34-L38 VanDerWaalsContact O-N 3.07Å; E35-L38 PolarHBondContact O-N 2.71Å; L38-G40 VanDerWaalsContact C-N 3.31Å; L38-G40 PolarHBondContact O-N 2.72Å; L38-S41 WeakPolarHBondContact O-CB 3.34Å; L38-S41 PolarHBondContact O-N 3.11Å; L38-V42 WeakPolarHBondContact O-CG2 3.31Å; L38-V42 PolarHBondContact O-N 3.02Å; L38-V42 VanDerWaalsContact O-N 3.08Å; L38-F52 HydrophobicContact CD1-CD1 3.82Å; L38-F52 HydrophobicContact CD1-CD2 4.47Å; L38-F52 HydrophobicContact CD1-CE1 3.9Å; L38-F52 HydrophobicContact CD1-CG 4.13Å; L38-F52 HydrophobicContact CD1-CZ 4.26Å; L38-F52 HydrophobicContact CD2-CD1 4.3Å; L38-F52 HydrophobicContact CG-CD1 4.27Å; L38-F52 HydrophobicContact CG-CG 4.38Å; L38-I66 HydrophobicContact CB-CD1 4.27Å; L38-I66 HydrophobicContact CD1-CD1 3.43Å; L38-I66 VanDerWaalsContact CD1-CD1 3.43Å; L38-I66 HydrophobicContact CD1-CG1 3.4Å; L38-I66 VanDerWaalsContact CD1-CG1 3.4Å; L38-I66 HydrophobicContact CG-CD1 4.43Å
39E70.9Confident71.2Confident139 Ų13993.6 Ų93.665%0.6548%0.476SS*.Hα-helixtrans-59.8-39.5174.3-72.8177.6-17600112.4E35 S41 V42E35-E39 WeakPolarHBondContact O-CG 3.27Å; E35-E39 PolarHBondContact O-N 3.14Å; E39-S41 VanDerWaalsContact C-N 3.31Å; E39-S41 PolarHBondContact O-N 3Å; E39-V42 PolarHBondContact O-N 2.96Å
40G60.6Low69.5Low47 Ų4796.6 Ų96.649%0.48550%0.501SS..Hα-helixtrans-65-31.8173.300000113.7G36 I37 L38G36-G40 PolarHBondContact O-N 2.89Å; G36-G40 VanDerWaalsContact O-N 3.08Å; I37-G40 PolarHBondContact O-N 3.04Å; L38-G40 VanDerWaalsContact C-N 3.31Å; L38-G40 PolarHBondContact O-N 2.72Å
41S58.8Low68.1Low62 Ų62100 Ų10043%0.43452%0.523SS..Hα-helixtrans-77.5-28.6178.1-168.50000113.5I37 L38 E39 R43 N44I37-S41 PolarHBondContact O-N 3.26Å; I37-S41 VanDerWaalsContact O-N 3.08Å; L38-S41 WeakPolarHBondContact O-CB 3.34Å; L38-S41 PolarHBondContact O-N 3.11Å; E39-S41 VanDerWaalsContact C-N 3.31Å; E39-S41 PolarHBondContact O-N 3Å; S41-R43 VanDerWaalsContact C-N 3.28Å; S41-R43 PolarHBondContact O-N 3.45Å; S41-N44 PolarHBondContact O-N 3.25Å
42V54.1Low67.3Low100 Ų10098.4 Ų98.461%0.60652%0.516SS*.Hα-helixtrans-68.1-26.8179.3-175.90000112L38 E39 N44L38-V42 WeakPolarHBondContact O-CG2 3.31Å; L38-V42 PolarHBondContact O-N 3.02Å; L38-V42 VanDerWaalsContact O-N 3.08Å; E39-V42 PolarHBondContact O-N 2.96Å; V42-N44 PolarHBondContact O-N 2.98Å
43R50.6Low67Low226 Ų22697.4 Ų97.485%0.85351%0.512SS*.THydrogen-bonded Turntrans-66.6-17.6176.3-72.7-172.3175-172.8-0.6114.3S41S41-R43 VanDerWaalsContact C-N 3.28Å; S41-R43 PolarHBondContact O-N 3.45Å
44N49.5Very low66.8Low145 Ų14596.5 Ų96.578%0.77551%0.506SS*.THydrogen-bonded Turntrans-106.1-1.1-174.5-88.84.5000115.3S41 V42S41-N44 PolarHBondContact O-N 3.25Å; V42-N44 PolarHBondContact O-N 2.98Å
45S51.9Low66.7Low74 Ų7499.3 Ų99.352%0.51752%0.524SS..  trans-155.499.2179.6-68.70000111.7W47S45-W47 PolarHBondContact O-N 3.26Å
46L52.7Low66.9Low163 Ų163100 Ų10085%0.85353%0.533SS*.SBendtrans-74.3-1.1-178-79.2162.3000114.7
47W48.7Very low67.3Low239 Ų239100 Ų10091%0.90553%0.525SS*.SBendtrans-142.997.8-173.5-71.585.9000110.7S45S45-W47 PolarHBondContact O-N 3.26Å
48R49.4Very low67.5Low221 Ų221106.8 Ų106.883%0.83455%0.547SS*.SBendtrans105.2129.3172.4-158.1-177.7-59.4-99.31.3114.5A50R48-A50 PolarHBondContact O-N 3.37Å
49P54.1Low68Low128 Ų128111 Ų11183%0.83156%0.563SS**  trans-67.3107.4171.69.5-3000109.1
50A58.6Low68.6Low64 Ų64110.5 Ų110.553%0.52956%0.561SS.*PPolyproline II helixtrans-76.8141.1175.900000110.3R48 F52R48-A50 PolarHBondContact O-N 3.37Å; A50-F52 PolarHBondContact O-N 2.91Å
51P66.9Low69.4Low75 Ų75108.5 Ų108.549%0.48754%0.539SS..PPolyproline II helixtrans-63.2124.617126.2-31.8000109.3T61P51-T61 WeakPolarHBondContact CB-O 3.25Å
52F77.5Confident69.9Low16 Ų16110.7 Ų110.77%0.0756%0.555CS.*PPolyproline II helixtrans-83151.1179.478.3-82000111L23 L34 L38 A50 T61 L69L23-F52 HydrophobicContact CD2-CE2 4.11Å; L23-F52 HydrophobicContact CD2-CZ 4.39Å; L34-F52 HydrophobicContact CD2-CE2 4.18Å; L38-F52 HydrophobicContact CD1-CD1 3.82Å; L38-F52 HydrophobicContact CD1-CD2 4.47Å; L38-F52 HydrophobicContact CD1-CE1 3.9Å; L38-F52 HydrophobicContact CD1-CG 4.13Å; L38-F52 HydrophobicContact CD1-CZ 4.26Å; L38-F52 HydrophobicContact CD2-CD1 4.3Å; L38-F52 HydrophobicContact CG-CD1 4.27Å; L38-F52 HydrophobicContact CG-CG 4.38Å; A50-F52 PolarHBondContact O-N 2.91Å; F52-T61 HydrophobicContact CE1-CG2 3.88Å; F52-T61 HydrophobicContact CZ-CG2 3.93Å; F52-T61 WeakPolarHBondContact O-CB 3.17Å; F52-T61 PolarHBondContact O-N 3.41Å; F52-T61 PolarHBondContact O-OG1 2.95Å; F52-L69 HydrophobicContact CZ-CD1 4.38Å
53K85.8Confident70.6Confident119 Ų119107 Ų10752%0.51754%0.535SS..BIsolated β-bridgetrans-95.1141.9-176.8-65.5-176.4-178.8-172.40111P55 E60K53-P55 WeakPolarHBondContact O-CD 3.49Å; K53-E60 HydrophobicContact CD-CG 4.4Å; K53-E60 VanDerWaalsContact CE-OE1 3.28Å; K53-E60 WeakPolarHBondContact CE-OE1 3.25Å; K53-E60 HydrophobicContact CG-CG 3.93Å; K53-E60 IonicContact NZ-OE1 2.69Å
54C89.2Confident71.4Confident2 Ų2102.9 Ų102.91%0.01454%0.535CS..PPolyproline II helixtrans-59.2127.1173.8175.10000110.6L23 T56 C57 R58 K59L23-C54 HydrophobicContact CD2-CB 3.79Å; C54-T56 PolarHBondContact O-N 3.25Å; C54-C57 VanDerWaalsContact SG-SG 3.66Å; C54-R58 WeakPolarHBondContact O-CA 3.36Å; C54-R58 PolarHBondContact O-N 3.42Å; C54-K59 PolarHBondContact N-O 2.89Å
55P89.1Confident72.6Confident59 Ų5997.3 Ų97.338%0.38351%0.512SS..THydrogen-bonded Turntrans-60-29.7179.8-30.138.8000114.6I12 F29 I37 K53I12-P55 HydrophobicContact CD1-CG 4.12Å; F29-P55 HydrophobicContact CE1-CB 3.91Å; F29-P55 HydrophobicContact CE1-CG 4.04Å; F29-P55 HydrophobicContact CZ-CB 4.13Å; F29-P55 HydrophobicContact CZ-CG 4.13Å; I37-P55 HydrophobicContact CD1-CG 3.58Å; K53-P55 WeakPolarHBondContact O-CD 3.49Å
56T91.3Very high73.9Confident74 Ų7494.6 Ų94.645%0.45449%0.491SS..THydrogen-bonded Turntrans-86.1-49.6-178.1-50.30000112.4H27 F29 C54H27-T56 WeakPolarHBondContact NE2-CG2 3.48Å; F29-T56 VanDerWaalsContact CZ-OG1 3.3Å; F29-T56 WeakPolarHBondContact CZ-OG1 3.47Å; C54-T56 PolarHBondContact O-N 3.25Å
57C92.3Very high75.2Confident43 Ų4392.5 Ų92.529%0.29148%0.481SS..THydrogen-bonded Turntrans-115.41.9-171.276.80000115C25 C54 K59C25-C57 VanDerWaalsContact SG-SG 3.67Å; C54-C57 VanDerWaalsContact SG-SG 3.66Å; C57-K59 PolarHBondContact O-N 3.42Å
58R88.1Confident76.9Confident202 Ų20283.6 Ų83.676%0.76246%0.455SS*.  trans58.66.1177.3-56.4-177.4-177.2156.50.6117C54C54-R58 WeakPolarHBondContact O-CA 3.36Å; C54-R58 PolarHBondContact O-N 3.42Å
59K88Confident78.8Confident134 Ų13473.5 Ų73.558%0.58342%0.418SS*.PPolyproline II helixtrans-61.9137.7172.5-68.4-177.5-177178.30109.9C25 C54 C57C25-K59 HydrophobicContact CB-CB 4.33Å; C25-K59 HydrophobicContact CB-CD 3.95Å; C54-K59 PolarHBondContact N-O 2.89Å; C57-K59 PolarHBondContact O-N 3.42Å
60E83.6Confident80.6Confident127 Ų12773.9 Ų73.959%0.59341%0.408SS*.BIsolated β-bridgetrans-70.3138.3177.3-72.6177.6-174.900110.7K53K53-E60 HydrophobicContact CD-CG 4.4Å; K53-E60 VanDerWaalsContact CE-OE1 3.28Å; K53-E60 WeakPolarHBondContact CE-OE1 3.25Å; K53-E60 HydrophobicContact CG-CG 3.93Å; K53-E60 IonicContact NZ-OE1 2.69Å
61T76.7Confident82.3Confident5 Ų571.9 Ų71.93%0.03139%0.389CS..PPolyproline II helixtrans-103.9123.4-177.1-53.60000109.4L23 P24 P51 F52 A63 L69L23-T61 HydrophobicContact CG-CG2 4.42Å; P24-T61 HydrophobicContact CG-CG2 4.34Å; P51-T61 WeakPolarHBondContact CB-O 3.25Å; F52-T61 HydrophobicContact CE1-CG2 3.88Å; F52-T61 HydrophobicContact CZ-CG2 3.93Å; F52-T61 WeakPolarHBondContact O-CB 3.17Å; F52-T61 PolarHBondContact O-N 3.41Å; F52-T61 PolarHBondContact O-OG1 2.95Å; T61-A63 HydrophobicContact CG2-CB 3.64Å; T61-A63 PolarHBondContact O-N 3.39Å; T61-L69 HydrophobicContact CG2-CD2 4.46Å
62S70.9Confident83.6Confident108 Ų10870.2 Ų70.276%0.75538%0.377SS*.  trans-81.55.7177.757.70000114
63A68.2Low84.4Confident23 Ų2377.4 Ų77.419%0.1940%0.404CS..  trans-74.3127.5-176.200000111.3T61 G65 L69T61-A63 HydrophobicContact CG2-CB 3.64Å; T61-A63 PolarHBondContact O-N 3.39Å; A63-G65 PolarHBondContact O-N 3Å; A63-L69 HydrophobicContact CB-CD2 3.54Å; A63-L69 HydrophobicContact CB-CG 4.15Å
64T67Low84.8Confident139 Ų13976 Ų7685%0.85341%0.41SS*.SBendtrans-79.660.7177.436.30000111.3S68T64-S68 PolarHBondContact N-OG 3.03Å
65G74.4Confident85.1Confident29 Ų2976.8 Ų76.830%0.29941%0.414SS..SBendtrans97.5161.6179.700000113.9A63 N67 S68A63-G65 PolarHBondContact O-N 3Å; G65-N67 VanDerWaalsContact C-N 3.31Å; G65-N67 PolarHBondContact O-N 3.24Å; G65-S68 WeakPolarHBondContact O-CB 3.28Å; G65-S68 PolarHBondContact O-N 3.27Å; G65-S68 VanDerWaalsContact O-N 3.11Å; G65-S68 PolarHBondContact O-OG 3.26Å
66I79.7Confident85.3Confident16 Ų1677.4 Ų77.48%0.08241%0.41CS..G310 helixtrans-68.4-32-168.6-62.6151.6000112.3R21 K31 L34 E35 L38 S68 L69R21-I66 HydrophobicContact CG-CG2 4.41Å; K31-I66 HydrophobicContact CG-CG2 3.97Å; L34-I66 HydrophobicContact CB-CD1 3.96Å; L34-I66 HydrophobicContact CB-CG1 3.9Å; L34-I66 HydrophobicContact CB-CG2 4.1Å; L34-I66 HydrophobicContact CD1-CG2 4.35Å; L34-I66 WeakPolarHBondContact O-CD1 3.5Å; E35-I66 HydrophobicContact CB-CD1 3.93Å; E35-I66 HydrophobicContact CG-CD1 3.42Å; E35-I66 VanDerWaalsContact CG-CD1 3.42Å; E35-I66 HydrophobicContact CG-CG2 4.46Å; L38-I66 HydrophobicContact CB-CD1 4.27Å; L38-I66 HydrophobicContact CD1-CD1 3.43Å; L38-I66 VanDerWaalsContact CD1-CD1 3.43Å; L38-I66 HydrophobicContact CD1-CG1 3.4Å; L38-I66 VanDerWaalsContact CD1-CG1 3.4Å; L38-I66 HydrophobicContact CG-CD1 4.43Å; I66-S68 PolarHBondContact O-N 3.26Å; I66-L69 WeakPolarHBondContact O-CB 3.42Å; I66-L69 PolarHBondContact O-N 3.1Å
67N80.8Confident85.4Confident120 Ų12075 Ų7564%0.64240%0.4SS*.G310 helixtrans-66.2-16.7177.6-66.9-39.8000112.9K31 G65 L69K31-N67 WeakPolarHBondContact CE-OD1 3.44Å; K31-N67 PolarHBondContact NZ-OD1 3.47Å; G65-N67 VanDerWaalsContact C-N 3.31Å; G65-N67 PolarHBondContact O-N 3.24Å; N67-L69 VanDerWaalsContact C-N 3.35Å
68S83.4Confident85.5Confident51 Ų5177 Ų7736%0.35741%0.406SS..G310 helixtrans-81.9-13.2173.273.10000113.4T64 G65 I66T64-S68 PolarHBondContact N-OG 3.03Å; G65-S68 WeakPolarHBondContact O-CB 3.28Å; G65-S68 PolarHBondContact O-N 3.27Å; G65-S68 VanDerWaalsContact O-N 3.11Å; G65-S68 PolarHBondContact O-OG 3.26Å; I66-S68 PolarHBondContact O-N 3.26Å
69L88.7Confident85.7Confident9 Ų967.7 Ų67.75%0.04737%0.372CS..SBendtrans-78133.9177.4-62.4171.8000110.8R21 L23 L34 F52 T61 A63 I66 N67R21-L69 HydrophobicContact CB-CB 4.09Å; R21-L69 HydrophobicContact CB-CD1 4.31Å; R21-L69 PolarHBondContact NH1-O 3.46Å; L23-L69 HydrophobicContact CD1-CD1 4.11Å; L34-L69 HydrophobicContact CD1-CD1 3.67Å; F52-L69 HydrophobicContact CZ-CD1 4.38Å; T61-L69 HydrophobicContact CG2-CD2 4.46Å; A63-L69 HydrophobicContact CB-CD2 3.54Å; A63-L69 HydrophobicContact CB-CG 4.15Å; I66-L69 WeakPolarHBondContact O-CB 3.42Å; I66-L69 PolarHBondContact O-N 3.1Å; N67-L69 VanDerWaalsContact C-N 3.35Å
70Q92Very high85.8Confident137 Ų13766 Ų6664%0.6437%0.367SS*.PPolyproline II helixtrans-66.1144.1178.1-60.6-59.4-4500110.7R21 V22R21-Q70 WeakPolarHBondContact CA-O 3.37Å; V22-Q70 HydrophobicContact CG1-CB 3.99Å; V22-Q70 PolarHBondContact N-O 2.97Å
71V94.3Very high86.1Confident21 Ų2166.9 Ų66.913%0.12737%0.369CS..BIsolated β-bridgetrans-77.9132.8170.9-177.40000108.6P20 Y73P20-V71 CarbonylContact O-C 3.57Å; P20-V71 WeakPolarHBondContact O-CA 3.26Å; V71-Y73 VanDerWaalsContact C-N 3.34Å; V71-Y73 HydrophobicContact CB-CD2 4.08Å; V71-Y73 HydrophobicContact CB-CE1 4.29Å; V71-Y73 HydrophobicContact CB-CE2 3.76Å; V71-Y73 HydrophobicContact CB-CG 4.49Å; V71-Y73 HydrophobicContact CG1-CD1 4.09Å; V71-Y73 HydrophobicContact CG1-CD2 4.31Å; V71-Y73 HydrophobicContact CG1-CE1 4.05Å; V71-Y73 HydrophobicContact CG1-CE2 4.29Å; V71-Y73 HydrophobicContact CG1-CG 4.22Å; V71-Y73 WeakPolarHBondContact O-CD2 3.42Å; V71-Y73 PolarHBondContact O-N 2.97Å; V71-Y73 VanDerWaalsContact O-N 3.1Å
72N95.3Very high86.7Confident41 Ų4167.3 Ų67.322%0.21937%0.369CS..  trans-82.282.6168.5-170.4-22.9000109.6P20 V22 N28 S74 L75 K76P20-N72 HydrophobicContact CB-CB 4.36Å; P20-N72 HydrophobicContact CG-CB 4.45Å; P20-N72 PolarHBondContact O-N 3.28Å; V22-N72 HydrophobicContact CB-CB 4.5Å; N28-N72 WeakPolarHBondContact OD1-CB 3.37Å; N28-N72 PolarHBondContact OD1-ND2 3.48Å; N72-S74 PolarHBondContact O-N 3.47Å; N72-S74 PolarHBondContact OD1-N 3.3Å; N72-L75 HydrophobicContact CB-CB 4.06Å; N72-L75 VanDerWaalsContact CG-CB 3.5Å; N72-L75 PolarHBondContact O-N 3.27Å; N72-L75 PolarHBondContact OD1-N 2.85Å; N72-K76 PolarHBondContact O-N 2.89Å
73Y94.2Very high87.4Confident166 Ų16664.9 Ų64.965%0.65135%0.348SS*.Hα-helixtrans-60.9-30.1-178.8-71.2-77.4000113.3V71 G77V71-Y73 VanDerWaalsContact C-N 3.34Å; V71-Y73 HydrophobicContact CB-CD2 4.08Å; V71-Y73 HydrophobicContact CB-CE1 4.29Å; V71-Y73 HydrophobicContact CB-CE2 3.76Å; V71-Y73 HydrophobicContact CB-CG 4.49Å; V71-Y73 HydrophobicContact CG1-CD1 4.09Å; V71-Y73 HydrophobicContact CG1-CD2 4.31Å; V71-Y73 HydrophobicContact CG1-CE1 4.05Å; V71-Y73 HydrophobicContact CG1-CE2 4.29Å; V71-Y73 HydrophobicContact CG1-CG 4.22Å; V71-Y73 WeakPolarHBondContact O-CD2 3.42Å; V71-Y73 PolarHBondContact O-N 2.97Å; V71-Y73 VanDerWaalsContact O-N 3.1Å; Y73-G77 PolarHBondContact O-N 3.23Å
74S94.6Very high88.1Confident90 Ų9071.4 Ų71.463%0.62937%0.372SS*.Hα-helixtrans-64.6-49.9175.5-58.60000111.1N72 G77 I78N72-S74 PolarHBondContact O-N 3.47Å; N72-S74 PolarHBondContact OD1-N 3.3Å; S74-G77 PolarHBondContact O-N 2.9Å; S74-I78 VanDerWaalsContact O-CG1 3.25Å; S74-I78 WeakPolarHBondContact O-CG1 3.46Å; S74-I78 PolarHBondContact O-N 2.89Å
75L94.6Very high88.8Confident19 Ų1969.2 Ų69.210%0.09935%0.354CS..Hα-helixtrans-63-42.8176.6-178.655.9000111.4L8 F17 P20 N28 N72 G77 I78 V79L8-L75 HydrophobicContact CD2-CD1 3.71Å; F17-L75 HydrophobicContact CB-CD2 4.48Å; F17-L75 HydrophobicContact CB-CG 4.47Å; F17-L75 HydrophobicContact CD1-CD2 4.35Å; F17-L75 HydrophobicContact CD2-CD1 3.95Å; F17-L75 HydrophobicContact CD2-CD2 3.6Å; F17-L75 HydrophobicContact CD2-CG 3.93Å; F17-L75 HydrophobicContact CE2-CD1 4.37Å; F17-L75 HydrophobicContact CE2-CD2 3.81Å; F17-L75 HydrophobicContact CG-CD2 3.9Å; F17-L75 HydrophobicContact CG-CG 4.31Å; F17-L75 HydrophobicContact CZ-CD2 4.27Å; P20-L75 HydrophobicContact CB-CD2 3.88Å; P20-L75 HydrophobicContact CB-CG 4.27Å; P20-L75 HydrophobicContact CG-CB 4.26Å; P20-L75 HydrophobicContact CG-CD2 4.39Å; P20-L75 HydrophobicContact CG-CG 4.24Å; N28-L75 HydrophobicContact CB-CD2 3.67Å; N72-L75 HydrophobicContact CB-CB 4.06Å; N72-L75 VanDerWaalsContact CG-CB 3.5Å; N72-L75 PolarHBondContact O-N 3.27Å; N72-L75 PolarHBondContact OD1-N 2.85Å; L75-G77 VanDerWaalsContact C-N 3.35Å; L75-G77 PolarHBondContact O-N 3.38Å; L75-I78 PolarHBondContact O-N 3.05Å; L75-V79 HydrophobicContact CD1-CG2 4.41Å; L75-V79 WeakPolarHBondContact O-CG2 3.46Å; L75-V79 PolarHBondContact O-N 3.41Å
76K93.4Very high89Confident72 Ų7272.3 Ų72.331%0.31336%0.359SS..Hα-helixtrans-56-48.6173.7-172.3177.4177.8176.10111.5P20 N72 I78 V79 E80P20-K76 HydrophobicContact CG-CB 3.87Å; N72-K76 PolarHBondContact O-N 2.89Å; K76-I78 VanDerWaalsContact C-N 3.35Å; K76-I78 PolarHBondContact O-N 3.43Å; K76-V79 PolarHBondContact O-N 2.9Å; K76-E80 WeakPolarHBondContact CE-OE1 3.35Å; K76-E80 WeakPolarHBondContact O-CG 3.45Å; K76-E80 PolarHBondContact O-N 2.87Å
77G94.1Very high88.6Confident22 Ų2278 Ų7823%0.22739%0.389CS..Hα-helixtrans-65.6-33178.200000113.9Y73 S74 L75 K81Y73-G77 PolarHBondContact O-N 3.23Å; S74-G77 PolarHBondContact O-N 2.9Å; L75-G77 VanDerWaalsContact C-N 3.35Å; L75-G77 PolarHBondContact O-N 3.38Å; G77-K81 VanDerWaalsContact O-CG 3.31Å; G77-K81 WeakPolarHBondContact O-CG 3.43Å; G77-K81 PolarHBondContact O-N 3.26Å; G77-K81 VanDerWaalsContact O-N 3.08Å
78I93.6Very high87.9Confident85 Ų8575 Ų7544%0.43638%0.377SS..Hα-helixtrans-69.2-45.1174.5-65.7162.4000110.4L8 S74 L75 K76 E80 K81 Y82L8-I78 HydrophobicContact CD1-CG2 3.92Å; L8-I78 HydrophobicContact CD2-CB 4.33Å; L8-I78 HydrophobicContact CD2-CG2 3.57Å; L8-I78 HydrophobicContact CG-CG2 4.4Å; S74-I78 VanDerWaalsContact O-CG1 3.25Å; S74-I78 WeakPolarHBondContact O-CG1 3.46Å; S74-I78 PolarHBondContact O-N 2.89Å; L75-I78 PolarHBondContact O-N 3.05Å; K76-I78 VanDerWaalsContact C-N 3.35Å; K76-I78 PolarHBondContact O-N 3.43Å; I78-E80 VanDerWaalsContact C-N 3.33Å; I78-E80 PolarHBondContact O-N 3.02Å; I78-K81 PolarHBondContact O-N 2.97Å; I78-Y82 WeakPolarHBondContact O-CB 3.5Å; I78-Y82 PolarHBondContact O-N 3.47Å
79V92.6Very high87.1Confident8 Ų878.4 Ų78.45%0.04840%0.398CS..Hα-helixtrans-60.5-42.4175.6170.80000111.4L8 L16 F17 L75 K76 K81 Y82 N83L8-V79 HydrophobicContact CB-CG2 4.18Å; L8-V79 HydrophobicContact CD2-CG2 4.28Å; L16-V79 HydrophobicContact CB-CG1 3.97Å; L16-V79 HydrophobicContact CD1-CG1 4.43Å; F17-V79 HydrophobicContact CB-CG2 4.18Å; L75-V79 HydrophobicContact CD1-CG2 4.41Å; L75-V79 WeakPolarHBondContact O-CG2 3.46Å; L75-V79 PolarHBondContact O-N 3.41Å; K76-V79 PolarHBondContact O-N 2.9Å; V79-K81 PolarHBondContact O-N 2.98Å; V79-Y82 PolarHBondContact O-N 2.87Å; V79-N83 WeakPolarHBondContact O-CB 3.46Å; V79-N83 PolarHBondContact O-N 2.87Å; V79-N83 PolarHBondContact O-ND2 3.24Å
80E90.2Very high86.3Confident98 Ų9886.1 Ų86.146%0.45843%0.431SS..Hα-helixtrans-60.9-43.9175.7-74.9172.3-171.200112.2K76 I78 K84K76-E80 WeakPolarHBondContact CE-OE1 3.35Å; K76-E80 WeakPolarHBondContact O-CG 3.45Å; K76-E80 PolarHBondContact O-N 2.87Å; I78-E80 VanDerWaalsContact C-N 3.33Å; I78-E80 PolarHBondContact O-N 3.02Å; E80-K84 WeakPolarHBondContact O-CG 3.49Å; E80-K84 PolarHBondContact O-N 2.88Å
81K89.8Confident85.5Confident146 Ų14684.8 Ų84.864%0.63543%0.426SS*.Hα-helixtrans-68.1-40.9176.4-72.4174.9-175.8-178.90112.1G77 I78 V79 N83 K84 I85G77-K81 VanDerWaalsContact O-CG 3.31Å; G77-K81 WeakPolarHBondContact O-CG 3.43Å; G77-K81 PolarHBondContact O-N 3.26Å; G77-K81 VanDerWaalsContact O-N 3.08Å; I78-K81 PolarHBondContact O-N 2.97Å; V79-K81 PolarHBondContact O-N 2.98Å; K81-N83 VanDerWaalsContact C-N 3.34Å; K81-N83 PolarHBondContact O-N 3.38Å; K81-K84 PolarHBondContact O-N 3.23Å; K81-I85 WeakPolarHBondContact O-CG1 3.5Å; K81-I85 PolarHBondContact O-N 3.4Å
82Y88.9Confident85.2Confident13 Ų1387.2 Ų87.25%0.05144%0.443CS..Hα-helixtrans-58.4-46.7175.7178.8-102.7000111.2M1 L4 E5 L8 L16 I78 V79 K84 I85 K86M1-Y82 HydrophobicContact CG-CE2 3.91Å; L4-Y82 HydrophobicContact CD2-CD2 4.24Å; E5-Y82 HydrophobicContact CB-CE1 4.37Å; E5-Y82 WeakPolarHBondContact CB-OH 3.42Å; E5-Y82 HydrophobicContact CG-CE1 4.1Å; E5-Y82 PolarHBondContact OE2-OH 2.72Å; L8-Y82 HydrophobicContact CD1-CD1 4.31Å; L8-Y82 HydrophobicContact CD1-CD2 4.09Å; L8-Y82 HydrophobicContact CD1-CG 3.79Å; L16-Y82 HydrophobicContact CD1-CD1 3.87Å; L16-Y82 HydrophobicContact CD1-CE1 4.08Å; L16-Y82 HydrophobicContact CD2-CD1 4.13Å; L16-Y82 HydrophobicContact CD2-CE1 4.19Å; I78-Y82 WeakPolarHBondContact O-CB 3.5Å; I78-Y82 PolarHBondContact O-N 3.47Å; V79-Y82 PolarHBondContact O-N 2.87Å; Y82-K84 VanDerWaalsContact C-N 3.34Å; Y82-K84 PolarHBondContact O-N 3.5Å; Y82-I85 PolarHBondContact O-N 3.28Å; Y82-I85 VanDerWaalsContact O-N 3.15Å; Y82-K86 HydrophobicContact CE1-CB 4.48Å; Y82-K86 HydrophobicContact CE1-CD 3.78Å; Y82-K86 WeakPolarHBondContact O-CB 3.37Å; Y82-K86 PolarHBondContact O-N 2.87Å
83N85.3Confident85Confident58 Ų5889.6 Ų89.631%0.3146%0.458SS..Hα-helixtrans-60.1-41.5176.3-81.5-40.3000112.4L16 V79 K81 I85 K86 I87L16-N83 WeakPolarHBondContact CD1-OD1 2.99Å; V79-N83 WeakPolarHBondContact O-CB 3.46Å; V79-N83 PolarHBondContact O-N 2.87Å; V79-N83 PolarHBondContact O-ND2 3.24Å; K81-N83 VanDerWaalsContact C-N 3.34Å; K81-N83 PolarHBondContact O-N 3.38Å; N83-I85 VanDerWaalsContact C-N 3.32Å; N83-I85 PolarHBondContact O-N 3.38Å; N83-K86 PolarHBondContact O-N 3.47Å; N83-I87 WeakPolarHBondContact O-CB 3.45Å; N83-I87 WeakPolarHBondContact O-CD1 3.34Å; N83-I87 WeakPolarHBondContact O-CG1 3.43Å; N83-I87 PolarHBondContact O-N 3.47Å; N83-I87 VanDerWaalsContact O-N 3.07Å
84K83.5Confident84.8Confident159 Ų15982.3 Ų82.369%0.69143%0.432SS*.Hα-helixtrans-60.8-39.7175.2-72.2174.9-179.4179.20112.5E80 K81 Y82 S88E80-K84 WeakPolarHBondContact O-CG 3.49Å; E80-K84 PolarHBondContact O-N 2.88Å; K81-K84 PolarHBondContact O-N 3.23Å; Y82-K84 VanDerWaalsContact C-N 3.34Å; Y82-K84 PolarHBondContact O-N 3.5Å; K84-S88 PolarHBondContact O-N 3.09Å
85I82.3Confident84.5Confident93 Ų9388.6 Ų88.648%0.47745%0.448SS..Hα-helixtrans-72.9-42.3177.8-64165.4000110.8M1 K81 Y82 N83 I87 S88M1-I85 HydrophobicContact CE-CG2 3.87Å; K81-I85 WeakPolarHBondContact O-CG1 3.5Å; K81-I85 PolarHBondContact O-N 3.4Å; Y82-I85 PolarHBondContact O-N 3.28Å; Y82-I85 VanDerWaalsContact O-N 3.15Å; N83-I85 VanDerWaalsContact C-N 3.32Å; N83-I85 PolarHBondContact O-N 3.38Å; I85-I87 VanDerWaalsContact C-N 3.27Å; I85-I87 PolarHBondContact O-N 3.34Å; I85-S88 WeakPolarHBondContact O-CB 3.33Å; I85-S88 PolarHBondContact O-N 3.45Å; I85-S88 VanDerWaalsContact O-N 3.17Å; I85-S88 PolarHBondContact O-OG 3.32Å
86K76.9Confident84.3Confident94 Ų9490.9 Ų90.941%0.40948%0.475SS..Hα-helixtrans-61.4-34.9-179.8-174.6171.5179.41700112.6E5 Y82 N83E5-K86 IonicContact OE1-NZ 3.92Å; E5-K86 PolarHBondContact OE1-NZ 3.45Å; E5-K86 IonicContact OE2-NZ 3.61Å; E5-K86 PolarHBondContact OE2-NZ 3.02Å; Y82-K86 HydrophobicContact CE1-CB 4.48Å; Y82-K86 HydrophobicContact CE1-CD 3.78Å; Y82-K86 WeakPolarHBondContact O-CB 3.37Å; Y82-K86 PolarHBondContact O-N 2.87Å; N83-K86 PolarHBondContact O-N 3.47Å
87I71.1Confident84.1Confident137 Ų13789.9 Ų89.970%0.70347%0.472SS*.Hα-helixtrans-86-16.5-179.7-60.5164.3000111.9N83 I85N83-I87 WeakPolarHBondContact O-CB 3.45Å; N83-I87 WeakPolarHBondContact O-CD1 3.34Å; N83-I87 WeakPolarHBondContact O-CG1 3.43Å; N83-I87 PolarHBondContact O-N 3.47Å; N83-I87 VanDerWaalsContact O-N 3.07Å; I85-I87 VanDerWaalsContact C-N 3.27Å; I85-I87 PolarHBondContact O-N 3.34Å
88S68.1Low83.8Confident56 Ų5697.2 Ų97.239%0.39251%0.505SS..SBendtrans-63136.8177.771.20000111K84 I85 K90K84-S88 PolarHBondContact O-N 3.09Å; I85-S88 WeakPolarHBondContact O-CB 3.33Å; I85-S88 PolarHBondContact O-N 3.45Å; I85-S88 VanDerWaalsContact O-N 3.17Å; I85-S88 PolarHBondContact O-OG 3.32Å; S88-K90 PolarHBondContact O-N 3.11Å; S88-K90 VanDerWaalsContact O-N 3.07Å
89P65.1Low83.4Confident122 Ų12295.7 Ų95.779%0.79251%0.51SS*.PPolyproline II helixtrans-60.1118179.922.1-30.3000109.1M91P89-M91 PolarHBondContact O-N 3.06Å
90K71.7Confident83.2Confident172 Ų17298.7 Ų98.775%0.74852%0.524SS*.PPolyproline II helixtrans-67.5116.4176-68.5-176.8-179.2176.40108S88S88-K90 PolarHBondContact O-N 3.11Å; S88-K90 VanDerWaalsContact O-N 3.07Å
91M77Confident83.2Confident109 Ų10996.2 Ų96.254%0.53752%0.516SS..PPolyproline II helixtrans-59136.6169.7-80.9-17717700109.3P89 P101 N103P89-M91 PolarHBondContact O-N 3.06Å; M91-P101 HydrophobicContact CB-CB 4.26Å; M91-P101 HydrophobicContact SD-CB 4.18Å; M91-N103 HydrophobicContact CE-CB 4.49Å; M91-N103 HydrophobicContact SD-CB 4.02Å
92P86.7Confident83.3Confident72 Ų7290.8 Ų90.847%0.46849%0.494SS..PPolyproline II helixtrans-62.1146.2174.525.6-30.1000109.4L102P92-L102 HydrophobicContact CB-CD1 4.21Å; P92-L102 HydrophobicContact CG-CB 4.22Å; P92-L102 HydrophobicContact CG-CD1 4.4Å; P92-L102 WeakPolarHBondContact O-CB 3.48Å; P92-L102 PolarHBondContact O-N 3.38Å
93V90.4Very high83.2Confident90 Ų9093.5 Ų93.555%0.54551%0.509SS..BIsolated β-bridgetrans-101.4149.3-178.4-65.30000111.1Q100V93-Q100 CarbonylContact C-O 3.55Å; V93-Q100 VanDerWaalsContact CA-O 3.29Å; V93-Q100 WeakPolarHBondContact CA-O 3.39Å
94C90.3Very high83.5Confident14 Ų1492.3 Ų92.310%0.09550%0.503CS..PPolyproline II helixtrans-66.4133178.7-175.40000110.8G96 H97 Q100 L102 C114 C117C94-G96 VanDerWaalsContact C-N 3.34Å; C94-G96 PolarHBondContact SG-N 3.3Å; C94-H97 HydrophobicContact CB-CB 4.16Å; C94-Q100 HydrophobicContact CB-CB 4.26Å; C94-Q100 PolarHBondContact N-O 3.4Å; C94-L102 HydrophobicContact CB-CD2 3.73Å; C94-L102 HydrophobicContact CB-CG 4.36Å; C94-C114 HydrophobicContact CB-CB 3.93Å; C94-C117 VanDerWaalsContact SG-SG 3.67Å
95K89.9Confident84Confident222 Ų22285.8 Ų85.897%0.96547%0.474SS*.SBendtrans-68.7-32.5176.4-64.2179.8-178.8175.30112.7
96G89.3Confident84.6Confident66 Ų6681.4 Ų81.468%0.6845%0.452SS*.SBendtrans-86.8-19.4-179.300000114.4C94C94-G96 VanDerWaalsContact C-N 3.34Å; C94-G96 PolarHBondContact SG-N 3.3Å
97H88.6Confident85.2Confident52 Ų5279.4 Ų79.424%0.24145%0.445CS..SBendtrans-131.7103.4-174.4-57.9111.9000110.9C94 G99 Q100 C114 I116 C117C94-H97 HydrophobicContact CB-CB 4.16Å; H97-G99 PolarHBondContact O-N 3.33Å; H97-Q100 HydrophobicContact CB-CB 3.95Å; H97-Q100 HydrophobicContact CB-CG 3.63Å; H97-Q100 WeakPolarHBondContact O-CB 3.46Å; H97-Q100 PolarHBondContact O-N 3.02Å; H97-Q100 VanDerWaalsContact O-N 3.11Å; H97-C114 PolarHBondContact ND1-SG 3.02Å; H97-C114 VanDerWaalsContact ND1-SG 3.41Å; H97-I116 HydrophobicContact CB-CD1 4.24Å; H97-I116 VanDerWaalsContact NE2-CG2 3.33Å; H97-I116 WeakPolarHBondContact NE2-CG2 3.29Å; H97-C117 PolarHBondContact CE1-SG 3.15Å; H97-C117 PolarHBondContact ND1-SG 2.87Å; H97-C117 VanDerWaalsContact ND1-SG 3.36Å
98L88.9Confident86.2Confident175 Ų17576.4 Ų76.492%0.91643%0.434SS*.THydrogen-bonded Turntrans-55.2124.8-173.5-172.367.8000111.8Q100L98-Q100 PolarHBondContact O-N 3.37Å
99G83.8Confident87.4Confident54 Ų5476.9 Ų76.956%0.55743%0.432SS*.THydrogen-bonded Turntrans74.13.1176.300000115.5H97H97-G99 PolarHBondContact O-N 3.33Å
100Q89.2Confident88.6Confident70 Ų7075.8 Ų75.833%0.32742%0.417SS..  trans-84.2128.9178.7-63.8-58.8-60.900111.3V93 C94 H97 L98 C114 I116V93-Q100 CarbonylContact C-O 3.55Å; V93-Q100 VanDerWaalsContact CA-O 3.29Å; V93-Q100 WeakPolarHBondContact CA-O 3.39Å; C94-Q100 HydrophobicContact CB-CB 4.26Å; C94-Q100 PolarHBondContact N-O 3.4Å; H97-Q100 HydrophobicContact CB-CB 3.95Å; H97-Q100 HydrophobicContact CB-CG 3.63Å; H97-Q100 WeakPolarHBondContact O-CB 3.46Å; H97-Q100 PolarHBondContact O-N 3.02Å; H97-Q100 VanDerWaalsContact O-N 3.11Å; L98-Q100 PolarHBondContact O-N 3.37Å; Q100-C114 HydrophobicContact CB-CB 3.81Å; Q100-I116 HydrophobicContact CG-CD1 3.65Å; Q100-I116 HydrophobicContact CG-CG1 4.14Å
101P89.9Confident89.6Confident47 Ų4771.9 Ų71.931%0.30540%0.402SS..BIsolated β-bridgetrans-72.3142.7178.330.5-34.6000111.3M91 N103 C114M91-P101 HydrophobicContact CB-CB 4.26Å; M91-P101 HydrophobicContact SD-CB 4.18Å; P101-N103 PolarHBondContact O-N 3.03Å; P101-N103 PolarHBondContact O-OD1 3.13Å; P101-C114 WeakPolarHBondContact O-CA 3.42Å; P101-C114 WeakPolarHBondContact O-CB 3.48Å
102L91.4Very high90.4Very high31 Ų3170.2 Ų70.216%0.16239%0.394CS..  trans-85.985170.8-66.2177.9000109.2P92 C94 L112 I113 C114P92-L102 HydrophobicContact CB-CD1 4.21Å; P92-L102 HydrophobicContact CG-CB 4.22Å; P92-L102 HydrophobicContact CG-CD1 4.4Å; P92-L102 WeakPolarHBondContact O-CB 3.48Å; P92-L102 PolarHBondContact O-N 3.38Å; C94-L102 HydrophobicContact CB-CD2 3.73Å; C94-L102 HydrophobicContact CB-CG 4.36Å; L102-L112 HydrophobicContact CB-CB 4.1Å; L102-I113 CarbonylContact C-O 3.45Å; L102-I113 WeakPolarHBondContact CA-O 3.3Å; L102-C114 HydrophobicContact CD2-CB 4.27Å
103N88.4Confident90.7Very high70 Ų7067 Ų6737%0.37437%0.373SS..  trans-12011.7-171.669.5-28.8000114.6M91 P101 I113 I131M91-N103 HydrophobicContact CE-CB 4.49Å; M91-N103 HydrophobicContact SD-CB 4.02Å; P101-N103 PolarHBondContact O-N 3.03Å; P101-N103 PolarHBondContact O-OD1 3.13Å; N103-I113 PolarHBondContact N-O 3.05Å; N103-I131 HydrophobicContact CB-CD1 4.46Å
104I91Very high90.8Very high33 Ų3362.7 Ų62.717%0.16935%0.347CS..EExtended strand (participates in β ladder)trans-128.1138.5179-61.6171.7000107.6L112 I113 A118 F128I104-L112 CarbonylContact O-C 3.56Å; I104-L112 WeakPolarHBondContact O-CA 3.5Å; I104-I113 HydrophobicContact CB-CG1 3.89Å; I104-I113 HydrophobicContact CG2-CD1 4.16Å; I104-I113 HydrophobicContact CG2-CG1 3.87Å; I104-I113 PolarHBondContact N-O 3.39Å; I104-I113 VanDerWaalsContact N-O 3.13Å; I104-I113 PolarHBondContact O-N 2.95Å; I104-A118 HydrophobicContact CD1-CB 4.12Å; I104-F128 HydrophobicContact CG2-CB 3.6Å; I104-F128 HydrophobicContact CG2-CD2 3.81Å; I104-F128 HydrophobicContact CG2-CG 3.82Å
105F94.1Very high90.8Very high23 Ų2363.3 Ų63.310%0.10136%0.356CS..EExtended strand (participates in β ladder)trans-103.3121.6173.8-170.2-97.9000110.8L107 M110 L112 F128 C129 A134 E138F105-L107 HydrophobicContact CD1-CD2 3.98Å; F105-L107 HydrophobicContact CD1-CG 4.46Å; F105-L107 HydrophobicContact CE1-CD2 4.04Å; F105-M110 HydrophobicContact CE1-SD 4.19Å; F105-M110 HydrophobicContact CZ-CB 4.31Å; F105-M110 HydrophobicContact CZ-SD 4.41Å; F105-L112 HydrophobicContact CB-CD2 4.43Å; F105-L112 HydrophobicContact CD2-CD2 4.11Å; F105-L112 HydrophobicContact CD2-CG 4.32Å; F105-F128 CarbonylContact O-C 3.53Å; F105-F128 WeakPolarHBondContact O-CA 3.36Å; F105-F128 WeakPolarHBondContact O-CB 3.45Å; F105-C129 PolarHBondContact N-O 3.4Å; F105-C129 PolarHBondContact O-N 3.43Å; F105-A134 HydrophobicContact CB-CB 3.54Å; F105-A134 HydrophobicContact CD1-CB 3.42Å; F105-A134 VanDerWaalsContact CD1-CB 3.42Å; F105-A134 HydrophobicContact CD2-CB 4.14Å; F105-A134 HydrophobicContact CE1-CB 4.1Å; F105-A134 HydrophobicContact CG-CB 3.43Å; F105-A134 VanDerWaalsContact CG-CB 3.43Å; F105-E138 HydrophobicContact CZ-CG 4.47Å
106C94.1Very high90.9Very high0 Ų055.3 Ų55.30%032%0.324CS..EExtended strand (participates in β ladder)trans-83.2115.5173.5-174.40000109.7T108 D109 M110 Q111 I113 H126C106-T108 VanDerWaalsContact C-N 3.33Å; C106-D109 PolarHBondContact SG-OD2 3.1Å; C106-M110 VanDerWaalsContact O-CA 3.24Å; C106-M110 WeakPolarHBondContact O-CA 3.41Å; C106-M110 PolarHBondContact O-N 3.5Å; C106-Q111 PolarHBondContact N-O 3.37Å; C106-Q111 PolarHBondContact O-N 2.91Å; C106-I113 HydrophobicContact CB-CD1 4.08Å; C106-I113 HydrophobicContact CB-CG1 4.42Å; C106-I113 HydrophobicContact CB-CG2 4.15Å; C106-H126 VanDerWaalsContact SG-CB 3.52Å
107L91.3Very high91Very high52 Ų5253 Ų5327%0.27230%0.297SS..THydrogen-bonded Turntrans-74-25.4178.4-69.8170.9000112.5F105 M110 V127 C129F105-L107 HydrophobicContact CD1-CD2 3.98Å; F105-L107 HydrophobicContact CD1-CG 4.46Å; F105-L107 HydrophobicContact CE1-CD2 4.04Å; L107-M110 VanDerWaalsContact O-SD 3.35Å; L107-V127 HydrophobicContact CD1-CG1 4.05Å; L107-V127 PolarHBondContact N-O 3.5Å; L107-C129 HydrophobicContact CD1-CB 4.15Å
108T92.1Very high91.2Very high75 Ų7550.9 Ų50.946%0.4629%0.288SS..THydrogen-bonded Turntrans-70.9-42.7178.9-54.40000111.5C106 H126 V127C106-T108 VanDerWaalsContact C-N 3.33Å; T108-H126 HydrophobicContact CG2-CB 4.48Å; T108-V127 PolarHBondContact OG1-N 3.26Å
109D91.9Very high91.2Very high65 Ų6547.3 Ų47.335%0.34827%0.274SS..THydrogen-bonded Turntrans-106.1-0.3-176.6-49.8-58.7000113.6C106 Q111 H123 H126C106-D109 PolarHBondContact SG-OD2 3.1Å; D109-Q111 HydrophobicContact CB-CG 3.94Å; D109-Q111 VanDerWaalsContact CB-NE2 3.28Å; D109-Q111 PolarHBondContact O-N 3.01Å; D109-H123 IonicContact OD2-CE1 2.73Å; D109-H123 PolarHBondContact OD2-CE1 2.89Å; D109-H123 IonicContact OD2-CG 3.41Å; D109-H123 IonicContact OD2-ND1 3.57Å; D109-H123 PolarHBondContact OD2-ND1 3.22Å; D109-H126 IonicContact OD1-CE1 2.7Å; D109-H126 PolarHBondContact OD1-CE1 3.18Å; D109-H126 IonicContact OD1-ND1 3.34Å; D109-H126 IonicContact OD2-CE1 3.25Å; D109-H126 PolarHBondContact OD2-CE1 2.98Å; D109-H126 IonicContact OD2-CG 2.65Å; D109-H126 IonicContact OD2-ND1 3.11Å; D109-H126 PolarHBondContact OD2-ND1 3.28Å
110M91.2Very high91.2Very high99 Ų9955.3 Ų55.349%0.48829%0.287SS..THydrogen-bonded Turntrans55.348.3178-55.8-66.7-81.400113.3F105 C106 L107 E138F105-M110 HydrophobicContact CE1-SD 4.19Å; F105-M110 HydrophobicContact CZ-CB 4.31Å; F105-M110 HydrophobicContact CZ-SD 4.41Å; C106-M110 VanDerWaalsContact O-CA 3.24Å; C106-M110 WeakPolarHBondContact O-CA 3.41Å; C106-M110 PolarHBondContact O-N 3.5Å; L107-M110 VanDerWaalsContact O-SD 3.35Å; M110-E138 WeakPolarHBondContact CE-OE1 3.38Å
111Q92.7Very high90.7Very high91 Ų9153.1 Ų53.143%0.42528%0.284SS..EExtended strand (participates in β ladder)trans-147.8155.8-176.663.5-178.6-40.100113.7C106 D109 I113 H123C106-Q111 PolarHBondContact N-O 3.37Å; C106-Q111 PolarHBondContact O-N 2.91Å; D109-Q111 HydrophobicContact CB-CG 3.94Å; D109-Q111 VanDerWaalsContact CB-NE2 3.28Å; D109-Q111 PolarHBondContact O-N 3.01Å; Q111-I113 HydrophobicContact CG-CG2 4.09Å; Q111-H123 PolarHBondContact NE2-CE1 3.44Å
112L93.1Very high90.4Very high73 Ų7359.1 Ų59.138%0.38231%0.307SS..EExtended strand (participates in β ladder)trans-75.7131172.1-69.2168000110.8L102 I104 F105 I131L102-L112 HydrophobicContact CB-CB 4.1Å; I104-L112 CarbonylContact O-C 3.56Å; I104-L112 WeakPolarHBondContact O-CA 3.5Å; F105-L112 HydrophobicContact CB-CD2 4.43Å; F105-L112 HydrophobicContact CD2-CD2 4.11Å; F105-L112 HydrophobicContact CD2-CG 4.32Å; L112-I131 HydrophobicContact CD2-CG1 4.4Å
113I93.1Very high90.3Very high4 Ų458.3 Ų58.32%0.02130%0.303CS..EExtended strand (participates in β ladder)trans-128.8164.2179.767.4169.9000110.7L102 N103 I104 C106 Q111 C117 A118 H123L102-I113 CarbonylContact C-O 3.45Å; L102-I113 WeakPolarHBondContact CA-O 3.3Å; N103-I113 PolarHBondContact N-O 3.05Å; I104-I113 HydrophobicContact CB-CG1 3.89Å; I104-I113 HydrophobicContact CG2-CD1 4.16Å; I104-I113 HydrophobicContact CG2-CG1 3.87Å; I104-I113 PolarHBondContact N-O 3.39Å; I104-I113 VanDerWaalsContact N-O 3.13Å; I104-I113 PolarHBondContact O-N 2.95Å; C106-I113 HydrophobicContact CB-CD1 4.08Å; C106-I113 HydrophobicContact CB-CG1 4.42Å; C106-I113 HydrophobicContact CB-CG2 4.15Å; Q111-I113 HydrophobicContact CG-CG2 4.09Å; I113-C117 HydrophobicContact CB-CB 3.89Å; I113-C117 HydrophobicContact CD1-CB 4.48Å; I113-A118 HydrophobicContact CD1-CB 3.89Å; I113-H123 HydrophobicContact CD1-CB 3.79Å
114C92.1Very high90.3Very high0 Ų058.7 Ų58.70%031%0.308CS..  trans-98.8168.9172.174.10000112C94 H97 Q100 P101 L102 I116 C117 A118C94-C114 HydrophobicContact CB-CB 3.93Å; H97-C114 PolarHBondContact ND1-SG 3.02Å; H97-C114 VanDerWaalsContact ND1-SG 3.41Å; Q100-C114 HydrophobicContact CB-CB 3.81Å; P101-C114 WeakPolarHBondContact O-CA 3.42Å; P101-C114 WeakPolarHBondContact O-CB 3.48Å; L102-C114 HydrophobicContact CD2-CB 4.27Å; C114-I116 PolarHBondContact O-N 3.21Å; C114-C117 WeakPolarHBondContact O-CB 3.11Å; C114-C117 PolarHBondContact O-N 2.96Å; C114-C117 VanDerWaalsContact O-N 3.11Å; C114-C117 VanDerWaalsContact SG-SG 3.63Å; C114-A118 PolarHBondContact O-N 3.47Å; C114-A118 VanDerWaalsContact O-N 3.09Å
115G90.4Very high90.3Very high28 Ų2866.4 Ų66.429%0.28934%0.34SS..Hα-helixtrans-57.9-31.5178.500000114.6A118 T119G115-A118 PolarHBondContact O-N 3.11Å; G115-T119 WeakPolarHBondContact O-CB 3.43Å; G115-T119 WeakPolarHBondContact O-CG2 3.46Å; G115-T119 PolarHBondContact O-N 3.46Å; G115-T119 PolarHBondContact O-OG1 3.5Å
116I91.9Very high90.3Very high54 Ų5468 Ų6828%0.27735%0.348SS..Hα-helixtrans-71.6-43.5176.5-52.6-174000110.7H97 Q100 C114 A118 T119 R120 G121H97-I116 HydrophobicContact CB-CD1 4.24Å; H97-I116 VanDerWaalsContact NE2-CG2 3.33Å; H97-I116 WeakPolarHBondContact NE2-CG2 3.29Å; Q100-I116 HydrophobicContact CG-CD1 3.65Å; Q100-I116 HydrophobicContact CG-CG1 4.14Å; C114-I116 PolarHBondContact O-N 3.21Å; I116-A118 PolarHBondContact O-N 3.14Å; I116-T119 PolarHBondContact O-N 3.5Å; I116-R120 HydrophobicContact CG2-CB 4.37Å; I116-R120 PolarHBondContact O-N 3.03Å; I116-G121 PolarHBondContact O-N 3.04Å
117C92.5Very high90.2Very high17 Ų1772.4 Ų72.412%0.11538%0.375CS..Hα-helixtrans-55-41.3173.4-71.80000111.6C94 H97 I113 C114 G121 H123C94-C117 VanDerWaalsContact SG-SG 3.67Å; H97-C117 PolarHBondContact CE1-SG 3.15Å; H97-C117 PolarHBondContact ND1-SG 2.87Å; H97-C117 VanDerWaalsContact ND1-SG 3.36Å; I113-C117 HydrophobicContact CB-CB 3.89Å; I113-C117 HydrophobicContact CD1-CB 4.48Å; C114-C117 WeakPolarHBondContact O-CB 3.11Å; C114-C117 PolarHBondContact O-N 2.96Å; C114-C117 VanDerWaalsContact O-N 3.11Å; C114-C117 VanDerWaalsContact SG-SG 3.63Å; C117-G121 CarbonylContact O-C 3.57Å; C117-G121 WeakPolarHBondContact O-CA 3.44Å; C117-G121 PolarHBondContact O-N 3.41Å; C117-H123 PolarHBondContact O-N 3.4Å
118A91.3Very high90.2Very high8 Ų874.8 Ų74.87%0.06638%0.383CS..Hα-helixtrans-71.8-35.7-179.800000113.8I104 I113 C114 G115 I116 T124 F128I104-A118 HydrophobicContact CD1-CB 4.12Å; I113-A118 HydrophobicContact CD1-CB 3.89Å; C114-A118 PolarHBondContact O-N 3.47Å; C114-A118 VanDerWaalsContact O-N 3.09Å; G115-A118 PolarHBondContact O-N 3.11Å; I116-A118 PolarHBondContact O-N 3.14Å; A118-T124 WeakPolarHBondContact O-CA 3.43Å; A118-F128 HydrophobicContact CB-CE1 4.43Å
119T89.1Confident90Very high99 Ų9972.4 Ų72.461%0.60737%0.369SS*.Hα-helixtrans-102.2-26.3-170.154.30000114.7G115 I116 T124G115-T119 WeakPolarHBondContact O-CB 3.43Å; G115-T119 WeakPolarHBondContact O-CG2 3.46Å; G115-T119 PolarHBondContact O-N 3.46Å; G115-T119 PolarHBondContact O-OG1 3.5Å; I116-T119 PolarHBondContact O-N 3.5Å; T119-T124 VanDerWaalsContact C-CG2 3.48Å; T119-T124 WeakPolarHBondContact O-CG2 3.21Å
120R84.1Confident89.8Confident222 Ų22271.3 Ų71.384%0.83837%0.367SS*.THydrogen-bonded Turntrans-136.9-9.4-174.3-60.6-178115.5-170.81.5113.5I116I116-R120 HydrophobicContact CG2-CB 4.37Å; I116-R120 PolarHBondContact O-N 3.03Å
121G79.1Confident89.7Confident25 Ų2569.5 Ų69.526%0.25836%0.358SS..SBendtrans-96.1-155-179.300000113.4I116 C117 H123 T124I116-G121 PolarHBondContact O-N 3.04Å; C117-G121 CarbonylContact O-C 3.57Å; C117-G121 WeakPolarHBondContact O-CA 3.44Å; C117-G121 PolarHBondContact O-N 3.41Å; G121-H123 PolarHBondContact O-N 3.01Å; G121-T124 VanDerWaalsContact O-CG2 3.29Å; G121-T124 WeakPolarHBondContact O-CG2 3.43Å
122E83.3Confident89.5Confident172 Ų17271.5 Ų71.580%0.80437%0.368SS*.THydrogen-bonded Turntrans-70.6-15.2-173.4-62.6176.8168.500113.6
123H90.1Very high89.3Confident14 Ų1472.2 Ų72.27%0.06537%0.372CS..THydrogen-bonded Turntrans-10215.1-172.7-54.4-92.6000113.8D109 Q111 I113 C117 G121 K125 H126D109-H123 IonicContact OD2-CE1 2.73Å; D109-H123 PolarHBondContact OD2-CE1 2.89Å; D109-H123 IonicContact OD2-CG 3.41Å; D109-H123 IonicContact OD2-ND1 3.57Å; D109-H123 PolarHBondContact OD2-ND1 3.22Å; Q111-H123 PolarHBondContact NE2-CE1 3.44Å; I113-H123 HydrophobicContact CD1-CB 3.79Å; C117-H123 PolarHBondContact O-N 3.4Å; G121-H123 PolarHBondContact O-N 3.01Å; H123-K125 PolarHBondContact O-N 2.9Å; H123-K125 VanDerWaalsContact O-N 3.09Å; H123-H126 HydrophobicContact CB-CB 4.3Å; H123-H126 AromaticContact ND1-ND1 3.55Å; H123-H126 PolarHBondContact O-N 3.49Å
124T88.2Confident89.2Confident78 Ų7872.3 Ų72.348%0.47937%0.373SS..THydrogen-bonded Turntrans-60.8-20.6-174.747.20000115.4A118 T119 G121A118-T124 WeakPolarHBondContact O-CA 3.43Å; T119-T124 VanDerWaalsContact C-CG2 3.48Å; T119-T124 WeakPolarHBondContact O-CG2 3.21Å; G121-T124 VanDerWaalsContact O-CG2 3.29Å; G121-T124 WeakPolarHBondContact O-CG2 3.43Å
125K90.8Very high89.2Confident195 Ų19579.7 Ų79.785%0.84840%0.402SS*.THydrogen-bonded Turntrans-111.73.6178.7-62.4-179.3-178.4176.50113.1H123H123-K125 PolarHBondContact O-N 2.9Å; H123-K125 VanDerWaalsContact O-N 3.09Å
126H94.3Very high89.2Confident56 Ų5680.7 Ų80.726%0.25941%0.407SS..SBendtrans-90155.9-174.8-67.3-175.2000111.1C106 T108 D109 H123 F128C106-H126 VanDerWaalsContact SG-CB 3.52Å; T108-H126 HydrophobicContact CG2-CB 4.48Å; D109-H126 IonicContact OD1-CE1 2.7Å; D109-H126 PolarHBondContact OD1-CE1 3.18Å; D109-H126 IonicContact OD1-ND1 3.34Å; D109-H126 IonicContact OD2-CE1 3.25Å; D109-H126 PolarHBondContact OD2-CE1 2.98Å; D109-H126 IonicContact OD2-CG 2.65Å; D109-H126 IonicContact OD2-ND1 3.11Å; D109-H126 PolarHBondContact OD2-ND1 3.28Å; H123-H126 HydrophobicContact CB-CB 4.3Å; H123-H126 AromaticContact ND1-ND1 3.55Å; H123-H126 PolarHBondContact O-N 3.49Å; H126-F128 WeakPolarHBondContact O-CD1 3.45Å
127V92.1Very high89.1Confident94 Ų9482.9 Ų82.957%0.5742%0.417SS*.  trans-84.4133.3174.4-171.30000107.9L107 T108L107-V127 HydrophobicContact CD1-CG1 4.05Å; L107-V127 PolarHBondContact N-O 3.5Å; T108-V127 PolarHBondContact OG1-N 3.26Å
128F91.8Very high89Confident102 Ų10285.9 Ų85.945%0.44743%0.429SS..EExtended strand (participates in β ladder)trans-133.5157.5175.950.3-95.8000110.7I104 F105 A118 H126I104-F128 HydrophobicContact CG2-CB 3.6Å; I104-F128 HydrophobicContact CG2-CD2 3.81Å; I104-F128 HydrophobicContact CG2-CG 3.82Å; F105-F128 CarbonylContact O-C 3.53Å; F105-F128 WeakPolarHBondContact O-CA 3.36Å; F105-F128 WeakPolarHBondContact O-CB 3.45Å; A118-F128 HydrophobicContact CB-CE1 4.43Å; H126-F128 WeakPolarHBondContact O-CD1 3.45Å
129C88Confident89.1Confident24 Ų2490.8 Ų90.816%0.16245%0.445CS..EExtended strand (participates in β ladder)trans-135.9176.917862.20000110.9F105 L107 D133F105-C129 PolarHBondContact N-O 3.4Å; F105-C129 PolarHBondContact O-N 3.43Å; L107-C129 HydrophobicContact CD1-CB 4.15Å; C129-D133 HydrophobicContact CB-CB 4.22Å
130S86Confident89.2Confident43 Ų4391.9 Ų91.930%0.30145%0.448SS..  trans-65.7160.2172.574.40000110.6E132 D133 A134S130-E132 WeakPolarHBondContact CB-OE2 3.4Å; S130-E132 PolarHBondContact O-N 3.36Å; S130-D133 PolarHBondContact O-N 2.97Å; S130-D133 WeakPolarHBondContact OG-CB 3.39Å; S130-D133 PolarHBondContact OG-N 3.49Å; S130-D133 VanDerWaalsContact OG-N 3.07Å; S130-D133 PolarHBondContact OG-OD2 3.43Å; S130-A134 WeakPolarHBondContact O-CB 3.19Å; S130-A134 PolarHBondContact O-N 3.41Å; S130-A134 VanDerWaalsContact O-N 3.08Å
131I89.1Confident89.5Confident60 Ų6083 Ų8331%0.30842%0.422SS..Hα-helixtrans-64.8-35.6176.6-59.2176.5000109.7N103 L112 Y135N103-I131 HydrophobicContact CB-CD1 4.46Å; L112-I131 HydrophobicContact CD2-CG1 4.4Å; I131-Y135 WeakPolarHBondContact O-CB 3.48Å; I131-Y135 PolarHBondContact O-N 2.88Å
132E89.3Confident90.2Very high134 Ų13486.8 Ų86.863%0.62643%0.431SS*.Hα-helixtrans-64-46-179.4-63.873.3-162.600111.3S130 Y135 A136S130-E132 WeakPolarHBondContact CB-OE2 3.4Å; S130-E132 PolarHBondContact O-N 3.36Å; E132-Y135 PolarHBondContact O-N 3.17Å; E132-A136 PolarHBondContact O-N 3.19Å; E132-A136 VanDerWaalsContact O-N 3.08Å
133D89.1Confident90.6Very high88 Ų8882.5 Ų82.547%0.47141%0.411SS..Hα-helixtrans-67.9-44.9178.1-61.4-40.7000111.4C129 S130 Y135 A136 Q137C129-D133 HydrophobicContact CB-CB 4.22Å; S130-D133 PolarHBondContact O-N 2.97Å; S130-D133 WeakPolarHBondContact OG-CB 3.39Å; S130-D133 PolarHBondContact OG-N 3.49Å; S130-D133 VanDerWaalsContact OG-N 3.07Å; S130-D133 PolarHBondContact OG-OD2 3.43Å; D133-Y135 VanDerWaalsContact C-N 3.31Å; D133-Y135 PolarHBondContact O-N 2.95Å; D133-A136 PolarHBondContact O-N 3.31Å; D133-Q137 WeakPolarHBondContact O-CG 3.38Å; D133-Q137 PolarHBondContact O-N 2.9Å
134A91.6Very high90.7Very high5 Ų585.1 Ų85.14%0.04143%0.432CS..Hα-helixtrans-59-44.1175.900000111.4F105 S130 A136 Q137 E138F105-A134 HydrophobicContact CB-CB 3.54Å; F105-A134 HydrophobicContact CD1-CB 3.42Å; F105-A134 VanDerWaalsContact CD1-CB 3.42Å; F105-A134 HydrophobicContact CD2-CB 4.14Å; F105-A134 HydrophobicContact CE1-CB 4.1Å; F105-A134 HydrophobicContact CG-CB 3.43Å; F105-A134 VanDerWaalsContact CG-CB 3.43Å; S130-A134 WeakPolarHBondContact O-CB 3.19Å; S130-A134 PolarHBondContact O-N 3.41Å; S130-A134 VanDerWaalsContact O-N 3.08Å; A134-A136 PolarHBondContact O-N 2.96Å; A134-Q137 PolarHBondContact O-N 2.81Å; A134-E138 WeakPolarHBondContact O-CB 3.37Å; A134-E138 WeakPolarHBondContact O-CG 3.33Å; A134-E138 PolarHBondContact O-N 3.41Å
135Y90.9Very high91Very high155 Ų15586.9 Ų86.961%0.60844%0.437SS*.Hα-helixtrans-61-46.6178.6175.9-97.7000111.6I131 E132 D133 Q137 R139I131-Y135 WeakPolarHBondContact O-CB 3.48Å; I131-Y135 PolarHBondContact O-N 2.88Å; E132-Y135 PolarHBondContact O-N 3.17Å; D133-Y135 VanDerWaalsContact C-N 3.31Å; D133-Y135 PolarHBondContact O-N 2.95Å; Y135-Q137 PolarHBondContact O-N 2.99Å; Y135-R139 HydrophobicContact CD1-CG 4.06Å; Y135-R139 HydrophobicContact CD2-CG 4.07Å; Y135-R139 HydrophobicContact CE1-CG 3.68Å; Y135-R139 HydrophobicContact CE2-CG 3.69Å; Y135-R139 HydrophobicContact CG-CG 4.25Å; Y135-R139 VanDerWaalsContact CZ-CG 3.48Å; Y135-R139 WeakPolarHBondContact O-CB 3.39Å; Y135-R139 WeakPolarHBondContact O-CG 3.34Å; Y135-R139 PolarHBondContact O-N 2.99Å
136A91.6Very high91Very high49 Ų4982 Ų8241%0.40542%0.417SS..Hα-helixtrans-59.1-47.1177.900000111.4E132 D133 A134 R139 D140E132-A136 PolarHBondContact O-N 3.19Å; E132-A136 VanDerWaalsContact O-N 3.08Å; D133-A136 PolarHBondContact O-N 3.31Å; A134-A136 PolarHBondContact O-N 2.96Å; A136-R139 PolarHBondContact O-N 3.4Å; A136-D140 PolarHBondContact O-N 3.43Å; A136-D140 VanDerWaalsContact O-N 3.14Å
137Q89.3Confident90.9Very high101 Ų10184.3 Ų84.347%0.47243%0.427SS..Hα-helixtrans-64.7-47.3-180-68.7176.821.600112.7D133 A134 Y135 R139 D140 A141D133-Q137 WeakPolarHBondContact O-CG 3.38Å; D133-Q137 PolarHBondContact O-N 2.9Å; A134-Q137 PolarHBondContact O-N 2.81Å; Y135-Q137 PolarHBondContact O-N 2.99Å; Q137-R139 VanDerWaalsContact C-N 3.29Å; Q137-R139 PolarHBondContact O-N 2.65Å; Q137-D140 PolarHBondContact O-N 3.1Å; Q137-A141 WeakPolarHBondContact O-CB 3.41Å; Q137-A141 PolarHBondContact O-N 3.24Å
138E91.1Very high90.7Very high79 Ų7983.2 Ų83.237%0.36942%0.424SS..Hα-helixtrans-65.5-33178.6-72.9-55.3118.200112.4F105 M110 A134 F142F105-E138 HydrophobicContact CZ-CG 4.47Å; M110-E138 WeakPolarHBondContact CE-OE1 3.38Å; A134-E138 WeakPolarHBondContact O-CB 3.37Å; A134-E138 WeakPolarHBondContact O-CG 3.33Å; A134-E138 PolarHBondContact O-N 3.41Å; E138-F142 VanDerWaalsContact O-CB 3.26Å; E138-F142 WeakPolarHBondContact O-CB 3.43Å; E138-F142 PolarHBondContact O-N 3.12Å
139R92.3Very high90.6Very high111 Ų11183.4 Ų83.442%0.41942%0.424SS..Hα-helixtrans-65.2-43.1175.3-80.9-67.3-54.5155.110.4112.1Y135 A136 Q137 E143Y135-R139 HydrophobicContact CD1-CG 4.06Å; Y135-R139 HydrophobicContact CD2-CG 4.07Å; Y135-R139 HydrophobicContact CE1-CG 3.68Å; Y135-R139 HydrophobicContact CE2-CG 3.69Å; Y135-R139 HydrophobicContact CG-CG 4.25Å; Y135-R139 VanDerWaalsContact CZ-CG 3.48Å; Y135-R139 WeakPolarHBondContact O-CB 3.39Å; Y135-R139 WeakPolarHBondContact O-CG 3.34Å; Y135-R139 PolarHBondContact O-N 2.99Å; A136-R139 PolarHBondContact O-N 3.4Å; Q137-R139 VanDerWaalsContact C-N 3.29Å; Q137-R139 PolarHBondContact O-N 2.65Å; R139-E143 PolarHBondContact O-N 3.3Å
140D90.8Very high90.5Very high123 Ų12385.4 Ų85.466%0.65843%0.431SS*.Hα-helixtrans-68.6-43177-70.3-16.2000111A136 Q137 F142 E143 S144A136-D140 PolarHBondContact O-N 3.43Å; A136-D140 VanDerWaalsContact O-N 3.14Å; Q137-D140 PolarHBondContact O-N 3.1Å; D140-F142 VanDerWaalsContact C-N 3.33Å; D140-F142 PolarHBondContact O-N 3.1Å; D140-E143 PolarHBondContact O-N 2.88Å; D140-S144 PolarHBondContact O-N 3.05Å
141A90.9Very high90.6Very high36 Ų3688.1 Ų88.130%0.29845%0.447SS..Hα-helixtrans-59.4-43.9175.200000111.7Q137 E143 S144 L145Q137-A141 WeakPolarHBondContact O-CB 3.41Å; Q137-A141 PolarHBondContact O-N 3.24Å; A141-E143 PolarHBondContact O-N 3.34Å; A141-S144 PolarHBondContact O-N 3.26Å; A141-S144 PolarHBondContact O-OG 3.48Å; A141-L145 WeakPolarHBondContact O-CG 3.34Å; A141-L145 PolarHBondContact O-N 3.38Å
142F93.8Very high90.2Very high103 Ų10393 Ų9345%0.45246%0.461SS..Hα-helixtrans-56.7-47176.9172.7-92.4000112.3E138 D140 S144 L145 F146E138-F142 VanDerWaalsContact O-CB 3.26Å; E138-F142 WeakPolarHBondContact O-CB 3.43Å; E138-F142 PolarHBondContact O-N 3.12Å; D140-F142 VanDerWaalsContact C-N 3.33Å; D140-F142 PolarHBondContact O-N 3.1Å; F142-S144 VanDerWaalsContact C-N 3.32Å; F142-S144 PolarHBondContact O-N 3.3Å; F142-L145 PolarHBondContact O-N 2.92Å; F142-F146 HydrophobicContact CE1-CB 4.16Å; F142-F146 HydrophobicContact CE1-CG 4.33Å; F142-F146 HydrophobicContact CZ-CB 4.21Å; F142-F146 HydrophobicContact CZ-CD2 4.01Å; F142-F146 HydrophobicContact CZ-CG 4.21Å; F142-F146 WeakPolarHBondContact O-CB 3.37Å; F142-F146 PolarHBondContact O-N 3.44Å
143E92.1Very high89.8Confident82 Ų8293.9 Ų93.938%0.38346%0.459SS..Hα-helixtrans-60.4-44.5-177.3-17259.6-142.300111R139 D140 A141 F146 Q147R139-E143 PolarHBondContact O-N 3.3Å; D140-E143 PolarHBondContact O-N 2.88Å; A141-E143 PolarHBondContact O-N 3.34Å; E143-F146 PolarHBondContact O-N 3.12Å; E143-Q147 VanDerWaalsContact O-CG 3.29Å; E143-Q147 WeakPolarHBondContact O-CG 3.25Å; E143-Q147 PolarHBondContact O-N 2.96Å; E143-Q147 PolarHBondContact OE1-NE2 2.91Å
144S92.4Very high89.2Confident70 Ų7097.5 Ų97.549%0.4947%0.466SS..Hα-helixtrans-64.3-45.3177.673.30000112.8D140 A141 F142 S148D140-S144 PolarHBondContact O-N 3.05Å; A141-S144 PolarHBondContact O-N 3.26Å; A141-S144 PolarHBondContact O-OG 3.48Å; F142-S144 VanDerWaalsContact C-N 3.32Å; F142-S144 PolarHBondContact O-N 3.3Å; S144-S148 PolarHBondContact O-N 3.03Å; S144-S148 VanDerWaalsContact O-N 3.11Å
145L93.8Very high88.5Confident115 Ų11599.6 Ų99.660%0.60249%0.488SS*.Hα-helixtrans-64-43178.1-73.6174000110.8A141 F142 S148 F149A141-L145 WeakPolarHBondContact O-CG 3.34Å; A141-L145 PolarHBondContact O-N 3.38Å; F142-L145 PolarHBondContact O-N 2.92Å; L145-S148 PolarHBondContact O-N 2.82Å; L145-S148 PolarHBondContact O-OG 3.28Å; L145-F149 WeakPolarHBondContact O-CB 3.32Å; L145-F149 PolarHBondContact O-N 3.3Å
146F92.1Very high87.9Confident93 Ų9395.5 Ų95.541%0.40848%0.477SS..Hα-helixtrans-62.8-46.4179.7-174.6-100.5000112.1F142 E143 S148 F149 E150F142-F146 HydrophobicContact CE1-CB 4.16Å; F142-F146 HydrophobicContact CE1-CG 4.33Å; F142-F146 HydrophobicContact CZ-CB 4.21Å; F142-F146 HydrophobicContact CZ-CD2 4.01Å; F142-F146 HydrophobicContact CZ-CG 4.21Å; F142-F146 WeakPolarHBondContact O-CB 3.37Å; F142-F146 PolarHBondContact O-N 3.44Å; E143-F146 PolarHBondContact O-N 3.12Å; F146-S148 VanDerWaalsContact C-N 3.34Å; F146-S148 PolarHBondContact O-N 3.06Å; F146-F149 PolarHBondContact O-N 3.49Å; F146-E150 PolarHBondContact O-N 2.9Å
147Q90.8Very high87.5Confident104 Ų10495.7 Ų95.749%0.48648%0.479SS..Hα-helixtrans-61.7-41176.7-72.4176.610.800112.2E143 E150 T151E143-Q147 VanDerWaalsContact O-CG 3.29Å; E143-Q147 WeakPolarHBondContact O-CG 3.25Å; E143-Q147 PolarHBondContact O-N 2.96Å; E143-Q147 PolarHBondContact OE1-NE2 2.91Å; Q147-E150 PolarHBondContact O-N 3.48Å; Q147-T151 WeakPolarHBondContact O-CB 3.42Å; Q147-T151 PolarHBondContact O-N 3.25Å; Q147-T151 PolarHBondContact O-OG1 3.3Å
148S89.3Confident87.3Confident70 Ų7095.9 Ų95.949%0.4948%0.482SS..Hα-helixtrans-63.6-42.5176.778.20000111.8S144 L145 F146 T151 W152S144-S148 PolarHBondContact O-N 3.03Å; S144-S148 VanDerWaalsContact O-N 3.11Å; L145-S148 PolarHBondContact O-N 2.82Å; L145-S148 PolarHBondContact O-OG 3.28Å; F146-S148 VanDerWaalsContact C-N 3.34Å; F146-S148 PolarHBondContact O-N 3.06Å; S148-T151 PolarHBondContact O-N 3.4Å; S148-W152 WeakPolarHBondContact O-CB 3.39Å; S148-W152 PolarHBondContact O-N 3.03Å
149F88.6Confident87.2Confident106 Ų10695.2 Ų95.247%0.46549%0.486SS..Hα-helixtrans-65.8-43.6178174.6-102.7000111.5L145 F146 T151 W152 R153L145-F149 WeakPolarHBondContact O-CB 3.32Å; L145-F149 PolarHBondContact O-N 3.3Å; F146-F149 PolarHBondContact O-N 3.49Å; F149-T151 VanDerWaalsContact C-N 3.35Å; F149-T151 PolarHBondContact O-N 2.95Å; F149-W152 HydrophobicContact CD2-CE3 4.3Å; F149-W152 HydrophobicContact CE2-CE3 4.27Å; F149-W152 HydrophobicContact CE2-CZ3 4.2Å; F149-W152 PolarHBondContact O-N 3.3Å; F149-R153 WeakPolarHBondContact O-CB 3.33Å; F149-R153 PolarHBondContact O-N 3.46Å
150E86.9Confident87Confident66 Ų6697.1 Ų97.131%0.30849%0.494SS..Hα-helixtrans-63.5-42.7178.2-172.9173.1-153.100111.6F146 Q147 R153 R154F146-E150 PolarHBondContact O-N 2.9Å; Q147-E150 PolarHBondContact O-N 3.48Å; E150-R153 PolarHBondContact O-N 3.44Å; E150-R154 HydrophobicContact CG-CG 4.47Å; E150-R154 WeakPolarHBondContact O-CB 3.44Å; E150-R154 WeakPolarHBondContact O-CG 3.45Å; E150-R154 PolarHBondContact O-N 3.01Å; E150-R154 IonicContact OE1-CZ 3.74Å; E150-R154 IonicContact OE1-NE 3.09Å; E150-R154 PolarHBondContact OE1-NE 2.99Å; E150-R154 IonicContact OE1-NH2 3.34Å; E150-R154 PolarHBondContact OE1-NH2 3.1Å
151T86.3Confident87.1Confident101 Ų10195.6 Ų95.662%0.6249%0.485SS*.Hα-helixtrans-62-48.2176.8-56.10000111.1Q147 S148 F149 R154 G155Q147-T151 WeakPolarHBondContact O-CB 3.42Å; Q147-T151 PolarHBondContact O-N 3.25Å; Q147-T151 PolarHBondContact O-OG1 3.3Å; S148-T151 PolarHBondContact O-N 3.4Å; F149-T151 VanDerWaalsContact C-N 3.35Å; F149-T151 PolarHBondContact O-N 2.95Å; T151-R154 PolarHBondContact O-N 3.5Å; T151-G155 PolarHBondContact O-N 2.93Å
152W82.2Confident87.2Confident163 Ų16398.5 Ų98.562%0.61750%0.495SS*.Hα-helixtrans-60.4-45.8175.8175.680.2000112.1S148 F149 R154 G155 D156S148-W152 WeakPolarHBondContact O-CB 3.39Å; S148-W152 PolarHBondContact O-N 3.03Å; F149-W152 HydrophobicContact CD2-CE3 4.3Å; F149-W152 HydrophobicContact CE2-CE3 4.27Å; F149-W152 HydrophobicContact CE2-CZ3 4.2Å; F149-W152 PolarHBondContact O-N 3.3Å; W152-R154 PolarHBondContact O-N 3.42Å; W152-G155 PolarHBondContact O-N 3.22Å; W152-D156 PolarHBondContact O-N 2.89Å; W152-D156 VanDerWaalsContact O-N 3.1Å
153R80.3Confident87.2Confident152 Ų15297.6 Ų97.657%0.57450%0.498SS*.Iπ-helixtrans-60.9-42.3179.6-179.4-177.6173.1-149.4-1.5112.2F149 E150F149-R153 WeakPolarHBondContact O-CB 3.33Å; F149-R153 PolarHBondContact O-N 3.46Å; E150-R153 PolarHBondContact O-N 3.44Å
154R75.7Confident87.4Confident163 Ų16399.3 Ų99.362%0.61551%0.51SS*.Iπ-helixtrans-74.1-41177.4-71.7-178.5-173.2-1496.5112E150 T151 W152E150-R154 HydrophobicContact CG-CG 4.47Å; E150-R154 WeakPolarHBondContact O-CB 3.44Å; E150-R154 WeakPolarHBondContact O-CG 3.45Å; E150-R154 PolarHBondContact O-N 3.01Å; E150-R154 IonicContact OE1-CZ 3.74Å; E150-R154 IonicContact OE1-NE 3.09Å; E150-R154 PolarHBondContact OE1-NE 2.99Å; E150-R154 IonicContact OE1-NH2 3.34Å; E150-R154 PolarHBondContact OE1-NH2 3.1Å; T151-R154 PolarHBondContact O-N 3.5Å; W152-R154 PolarHBondContact O-N 3.42Å
155G77.1Confident87.7Confident50 Ų50100.8 Ų100.852%0.51551%0.509SS..Iπ-helixtrans-72-48.4-171.600000114.5T151 W152 S159T151-G155 PolarHBondContact O-N 2.93Å; W152-G155 PolarHBondContact O-N 3.22Å; G155-S159 VanDerWaalsContact O-CB 3.28Å; G155-S159 WeakPolarHBondContact O-CB 3.4Å
156D79.3Confident87.9Confident68 Ų6897.3 Ų97.336%0.36449%0.492SS..Iπ-helixtrans-95.2-57.1-170.1-16858.9000112.6W152 R160W152-D156 PolarHBondContact O-N 2.89Å; W152-D156 VanDerWaalsContact O-N 3.1Å; D156-R160 WeakPolarHBondContact O-CB 3.41Å; D156-R160 WeakPolarHBondContact O-CD 3.45Å; D156-R160 WeakPolarHBondContact O-CG 3.34Å; D156-R160 PolarHBondContact O-N 2.99Å; D156-R160 VanDerWaalsContact O-N 3.07Å; D156-R160 WeakPolarHBondContact OD1-CD 3.41Å; D156-R160 IonicContact OD2-NH1 2.65Å; D156-R160 PolarHBondContact OD2-NH1 3.48Å; D156-R160 VanDerWaalsContact OD2-NH1 3.09Å
157A83Confident88.2Confident54 Ų5495.9 Ų95.945%0.44649%0.494SS..Iπ-helixtrans-70-47.4-168.300000113.1L161A157-L161 WeakPolarHBondContact O-CB 3.47Å; A157-L161 PolarHBondContact O-N 3.16Å
158L85.6Confident88.5Confident104 Ų10498 Ų9855%0.54550%0.501SS..Iπ-helixtrans-70.1-42.4-177.9-71176.5000112.1L161 D162L158-L161 PolarHBondContact O-N 2.81Å; L158-D162 PolarHBondContact O-N 3.48Å
159S88Confident88.9Confident66 Ų66102 Ų10246%0.46251%0.506SS..Hα-helixtrans-64.4-41.8178.1-176.70000112G155 D162 T163G155-S159 VanDerWaalsContact O-CB 3.28Å; G155-S159 WeakPolarHBondContact O-CB 3.4Å; S159-D162 PolarHBondContact O-N 2.97Å; S159-T163 WeakPolarHBondContact O-CB 3.31Å; S159-T163 PolarHBondContact O-N 3.48Å; S159-T163 PolarHBondContact O-OG1 2.88Å
160R89.3Confident89.4Confident151 Ų151103 Ų10357%0.5751%0.51SS*.Hα-helixtrans-65.1-40.7175.8-72.8173.464.9-169.92112D156 T163 L164D156-R160 WeakPolarHBondContact O-CB 3.41Å; D156-R160 WeakPolarHBondContact O-CD 3.45Å; D156-R160 WeakPolarHBondContact O-CG 3.34Å; D156-R160 PolarHBondContact O-N 2.99Å; D156-R160 VanDerWaalsContact O-N 3.07Å; D156-R160 WeakPolarHBondContact OD1-CD 3.41Å; D156-R160 IonicContact OD2-NH1 2.65Å; D156-R160 PolarHBondContact OD2-NH1 3.48Å; D156-R160 VanDerWaalsContact OD2-NH1 3.09Å; R160-T163 PolarHBondContact O-N 2.85Å; R160-L164 WeakPolarHBondContact O-CB 3.39Å; R160-L164 WeakPolarHBondContact O-CG 3.37Å; R160-L164 PolarHBondContact O-N 2.98Å
161L91.3Very high89.9Confident90 Ų90102.8 Ų102.847%0.47152%0.516SS..Hα-helixtrans-61.2-50.9175.8-17963.2000111.2A157 L158 T163 L164 E165A157-L161 WeakPolarHBondContact O-CB 3.47Å; A157-L161 PolarHBondContact O-N 3.16Å; L158-L161 PolarHBondContact O-N 2.81Å; L161-T163 VanDerWaalsContact C-N 3.31Å; L161-T163 PolarHBondContact O-N 3.35Å; L161-L164 PolarHBondContact O-N 3.32Å; L161-L164 VanDerWaalsContact O-N 3.16Å; L161-E165 HydrophobicContact CD1-CG 4.26Å; L161-E165 HydrophobicContact CG-CG 4.48Å; L161-E165 WeakPolarHBondContact O-CG 3.32Å; L161-E165 PolarHBondContact O-N 3.37Å
162D93.1Very high90.5Very high97 Ų97102.3 Ų102.352%0.51951%0.509SS..Hα-helixtrans-59.9-41.3179.1-17973000112.2L158 S159 L164 E165 T166L158-D162 PolarHBondContact O-N 3.48Å; S159-D162 PolarHBondContact O-N 2.97Å; D162-L164 PolarHBondContact O-N 3.49Å; D162-E165 PolarHBondContact O-N 2.88Å; D162-T166 VanDerWaalsContact O-CB 3.23Å; D162-T166 WeakPolarHBondContact O-CB 3.11Å; D162-T166 PolarHBondContact O-N 3.47Å; D162-T166 PolarHBondContact O-OG1 3.09Å
163T95Very high91.3Very high84 Ų84100.3 Ų100.352%0.51551%0.506SS..Hα-helixtrans-61.4-45.3175.8-59.50000111.4S159 R160 L161 S167S159-T163 WeakPolarHBondContact O-CB 3.31Å; S159-T163 PolarHBondContact O-N 3.48Å; S159-T163 PolarHBondContact O-OG1 2.88Å; R160-T163 PolarHBondContact O-N 2.85Å; L161-T163 VanDerWaalsContact C-N 3.31Å; L161-T163 PolarHBondContact O-N 3.35Å; T163-S167 VanDerWaalsContact O-CB 3.27Å; T163-S167 WeakPolarHBondContact O-CB 3.38Å; T163-S167 PolarHBondContact O-N 3.1Å
164L96.6Very high92.1Very high119 Ų11998.2 Ų98.262%0.62351%0.506SS*.Hα-helixtrans-67-43.3178.7-75.2173.1000112R160 L161 D162 T166 S167 K168R160-L164 WeakPolarHBondContact O-CB 3.39Å; R160-L164 WeakPolarHBondContact O-CG 3.37Å; R160-L164 PolarHBondContact O-N 2.98Å; L161-L164 PolarHBondContact O-N 3.32Å; L161-L164 VanDerWaalsContact O-N 3.16Å; D162-L164 PolarHBondContact O-N 3.49Å; L164-T166 VanDerWaalsContact C-N 3.33Å; L164-T166 PolarHBondContact O-N 3.43Å; L164-S167 PolarHBondContact O-N 3.07Å; L164-K168 VanDerWaalsContact O-CB 3.31Å; L164-K168 WeakPolarHBondContact O-CB 3.27Å; L164-K168 PolarHBondContact O-N 3.47Å
165E97.6Very high93.2Very high101 Ų10196 Ų9647%0.47251%0.506SS..Hα-helixtrans-62.6-42.3176.7-73.7-172.3164.300111.7L161 D162 K168 R169L161-E165 HydrophobicContact CD1-CG 4.26Å; L161-E165 HydrophobicContact CG-CG 4.48Å; L161-E165 WeakPolarHBondContact O-CG 3.32Å; L161-E165 PolarHBondContact O-N 3.37Å; D162-E165 PolarHBondContact O-N 2.88Å; E165-K168 PolarHBondContact O-N 2.98Å; E165-R169 WeakPolarHBondContact O-CB 3.2Å; E165-R169 PolarHBondContact O-N 2.92Å
166T97.8Very high94.2Very high42 Ų4297.4 Ų97.426%0.25851%0.505SS..Hα-helixtrans-64.8-45176-64.80000111.3D162 L164 R169 K170D162-T166 VanDerWaalsContact O-CB 3.23Å; D162-T166 WeakPolarHBondContact O-CB 3.11Å; D162-T166 PolarHBondContact O-N 3.47Å; D162-T166 PolarHBondContact O-OG1 3.09Å; L164-T166 VanDerWaalsContact C-N 3.33Å; L164-T166 PolarHBondContact O-N 3.43Å; T166-R169 PolarHBondContact O-N 2.95Å; T166-K170 HydrophobicContact CG2-CD 4.22Å; T166-K170 WeakPolarHBondContact O-CG 3.46Å; T166-K170 PolarHBondContact O-N 2.89Å
167S97.9Very high95.1Very high63 Ų63100.3 Ų100.344%0.44151%0.514SS..Hα-helixtrans-62.8-43.4177.6-173.40000111.8T163 L164 K170 S171T163-S167 VanDerWaalsContact O-CB 3.27Å; T163-S167 WeakPolarHBondContact O-CB 3.38Å; T163-S167 PolarHBondContact O-N 3.1Å; L164-S167 PolarHBondContact O-N 3.07Å; S167-K170 PolarHBondContact O-N 3.04Å; S167-S171 WeakPolarHBondContact O-CB 3.4Å; S167-S171 PolarHBondContact O-N 3.37Å; S167-S171 PolarHBondContact O-OG 3.11Å
168K98.2Very high95.8Very high147 Ų147101.6 Ų101.664%0.63951%0.513SS*.Hα-helixtrans-58.9-48.7173.6179-177.8176.8-1780111.2L164 E165 K170 S171 L172L164-K168 VanDerWaalsContact O-CB 3.31Å; L164-K168 WeakPolarHBondContact O-CB 3.27Å; L164-K168 PolarHBondContact O-N 3.47Å; E165-K168 PolarHBondContact O-N 2.98Å; K168-K170 PolarHBondContact O-N 3.43Å; K168-S171 PolarHBondContact O-N 2.83Å; K168-L172 HydrophobicContact CG-CD1 4.03Å; K168-L172 WeakPolarHBondContact O-CG 3.32Å; K168-L172 PolarHBondContact O-N 2.87Å
169R98.2Very high96.4Very high155 Ų15599.3 Ų99.359%0.58551%0.506SS*.Hα-helixtrans-58.9-47.8179.5-172.6-174-58.1164.75.6111.5E165 T166 S171 L172 Q173E165-R169 WeakPolarHBondContact O-CB 3.2Å; E165-R169 PolarHBondContact O-N 2.92Å; T166-R169 PolarHBondContact O-N 2.95Å; R169-S171 PolarHBondContact O-N 3.44Å; R169-L172 PolarHBondContact O-N 3.34Å; R169-Q173 WeakPolarHBondContact O-CG 3.36Å; R169-Q173 PolarHBondContact O-N 2.97Å
170K98.3Very high96.9Very high127 Ų12799.9 Ų99.955%0.55250%0.504SS*.Hα-helixtrans-60.6-45.2177.7-73.1175.5180177.50111.7T166 S167 K168 Q173 L174T166-K170 HydrophobicContact CG2-CD 4.22Å; T166-K170 WeakPolarHBondContact O-CG 3.46Å; T166-K170 PolarHBondContact O-N 2.89Å; S167-K170 PolarHBondContact O-N 3.04Å; K168-K170 PolarHBondContact O-N 3.43Å; K170-Q173 PolarHBondContact O-N 2.86Å; K170-L174 WeakPolarHBondContact O-CG 3.22Å; K170-L174 PolarHBondContact O-N 2.73Å
171S98.1Very high97.4Very high61 Ų6197.8 Ų97.843%0.42750%0.499SS..Hα-helixtrans-63.1-44.5180-57.50000111.9S167 K168 R169 Q173 L174 L175S167-S171 WeakPolarHBondContact O-CB 3.4Å; S167-S171 PolarHBondContact O-N 3.37Å; S167-S171 PolarHBondContact O-OG 3.11Å; K168-S171 PolarHBondContact O-N 2.83Å; R169-S171 PolarHBondContact O-N 3.44Å; S171-Q173 PolarHBondContact O-N 3.35Å; S171-L174 PolarHBondContact O-N 3.34Å; S171-L175 PolarHBondContact O-N 3.01Å
172L98.2Very high97.7Very high92 Ų9297.5 Ų97.548%0.48250%0.501SS..Hα-helixtrans-63.2-41175.9-71.7173.3000112K168 R169 L174 L175 T176K168-L172 HydrophobicContact CG-CD1 4.03Å; K168-L172 WeakPolarHBondContact O-CG 3.32Å; K168-L172 PolarHBondContact O-N 2.87Å; R169-L172 PolarHBondContact O-N 3.34Å; L172-L174 VanDerWaalsContact C-N 3.33Å; L172-L174 PolarHBondContact O-N 3.43Å; L172-L175 PolarHBondContact O-N 3.26Å; L172-T176 PolarHBondContact O-N 3.43Å; L172-T176 PolarHBondContact O-OG1 3.42Å; L172-T176 VanDerWaalsContact O-OG1 3.1Å
173Q98.3Very high97.9Very high120 Ų12098.3 Ų98.356%0.56150%0.499SS*.Hα-helixtrans-61.6-39.8176-76.2175-1700112.6R169 K170 S171 K177R169-Q173 WeakPolarHBondContact O-CG 3.36Å; R169-Q173 PolarHBondContact O-N 2.97Å; K170-Q173 PolarHBondContact O-N 2.86Å; S171-Q173 PolarHBondContact O-N 3.35Å; Q173-K177 WeakPolarHBondContact O-CB 3.23Å; Q173-K177 PolarHBondContact O-N 2.82Å
174L98.1Very high98.1Very high108 Ų10898.8 Ų98.857%0.56550%0.496SS*.Hα-helixtrans-63.7-45.7175-71173000111.4K170 S171 L172 T176 K177 D178K170-L174 WeakPolarHBondContact O-CG 3.22Å; K170-L174 PolarHBondContact O-N 2.73Å; S171-L174 PolarHBondContact O-N 3.34Å; L172-L174 VanDerWaalsContact C-N 3.33Å; L172-L174 PolarHBondContact O-N 3.43Å; L174-T176 PolarHBondContact O-N 3.5Å; L174-K177 PolarHBondContact O-N 3.45Å; L174-D178 PolarHBondContact O-N 3.03Å
175L98.1Very high98.2Very high116 Ų11699.4 Ų99.461%0.60749%0.494SS*.Hα-helixtrans-61.1-43177.3-72.9173.7000112.5S171 L172 D178 S179S171-L175 PolarHBondContact O-N 3.01Å; L172-L175 PolarHBondContact O-N 3.26Å; L175-D178 PolarHBondContact O-N 2.97Å; L175-S179 WeakPolarHBondContact O-CB 3.43Å; L175-S179 PolarHBondContact O-N 3.34Å
176T98.2Very high98.3Very high81 Ų8199.8 Ų99.850%0.49749%0.494SS..Hα-helixtrans-61-46.8175.1-580000110.8L172 L174 D178 S179 D180L172-T176 PolarHBondContact O-N 3.43Å; L172-T176 PolarHBondContact O-OG1 3.42Å; L172-T176 VanDerWaalsContact O-OG1 3.1Å; L174-T176 PolarHBondContact O-N 3.5Å; T176-D178 VanDerWaalsContact C-N 3.33Å; T176-D178 PolarHBondContact O-N 3.31Å; T176-S179 WeakPolarHBondContact O-CB 3.28Å; T176-S179 PolarHBondContact O-N 3.4Å; T176-D180 VanDerWaalsContact O-CG 3.28Å; T176-D180 PolarHBondContact O-N 3.45Å
177K98.3Very high98.3Very high129 Ų129103.6 Ų103.656%0.56151%0.509SS*.Hα-helixtrans-60.3-42179-174.2178-178.2177.10112.2Q173 L174 D180 K181Q173-K177 WeakPolarHBondContact O-CB 3.23Å; Q173-K177 PolarHBondContact O-N 2.82Å; L174-K177 PolarHBondContact O-N 3.45Å; K177-D180 PolarHBondContact O-N 2.91Å; K177-K181 WeakPolarHBondContact O-CG 3.39Å; K177-K181 PolarHBondContact O-N 3.25Å; K177-K181 VanDerWaalsContact O-N 3.12Å
178D98.3Very high98.3Very high80 Ų80106.2 Ų106.243%0.42851%0.512SS..Hα-helixtrans-71.1-38.5178.3-71.2-20000111.9L174 L175 T176 D180 K181 V182L174-D178 PolarHBondContact O-N 3.03Å; L175-D178 PolarHBondContact O-N 2.97Å; T176-D178 VanDerWaalsContact C-N 3.33Å; T176-D178 PolarHBondContact O-N 3.31Å; D178-D180 VanDerWaalsContact C-N 3.32Å; D178-D180 PolarHBondContact O-N 2.78Å; D178-K181 PolarHBondContact O-N 3.35Å; D178-K181 IonicContact OD1-NZ 3.47Å; D178-K181 PolarHBondContact OD1-NZ 2.81Å; D178-V182 WeakPolarHBondContact O-CG2 3.16Å; D178-V182 PolarHBondContact O-N 2.88Å; D178-V182 VanDerWaalsContact O-N 3.1Å
179S98.3Very high98.3Very high56 Ų56102.9 Ų102.939%0.39250%0.501SS..Hα-helixtrans-57.6-43.8170.7168.60000111.9L175 T176 V182 K183L175-S179 WeakPolarHBondContact O-CB 3.43Å; L175-S179 PolarHBondContact O-N 3.34Å; T176-S179 WeakPolarHBondContact O-CB 3.28Å; T176-S179 PolarHBondContact O-N 3.4Å; S179-V182 PolarHBondContact O-N 2.87Å; S179-K183 PolarHBondContact O-N 2.96Å
180D98.4Very high98.4Very high78 Ų78101.2 Ų101.242%0.41750%0.5SS..Hα-helixtrans-67.7-37.6-179.5-68-24000112T176 K177 D178 V182 K183 E184T176-D180 VanDerWaalsContact O-CG 3.28Å; T176-D180 PolarHBondContact O-N 3.45Å; K177-D180 PolarHBondContact O-N 2.91Å; D178-D180 VanDerWaalsContact C-N 3.32Å; D178-D180 PolarHBondContact O-N 2.78Å; D180-V182 VanDerWaalsContact C-N 3.3Å; D180-V182 PolarHBondContact O-N 2.7Å; D180-K183 PolarHBondContact O-N 3.3Å; D180-K183 IonicContact OD1-NZ 2.81Å; D180-E184 WeakPolarHBondContact O-CB 3.43Å; D180-E184 PolarHBondContact O-N 3.43Å
181K98.4Very high98.4Very high108 Ų108100.4 Ų100.447%0.4750%0.498SS..Hα-helixtrans-60.3-40.2171.5-70.2172.5-168156.90112.3K177 D178 E184 F185K177-K181 WeakPolarHBondContact O-CG 3.39Å; K177-K181 PolarHBondContact O-N 3.25Å; K177-K181 VanDerWaalsContact O-N 3.12Å; D178-K181 PolarHBondContact O-N 3.35Å; D178-K181 IonicContact OD1-NZ 3.47Å; D178-K181 PolarHBondContact OD1-NZ 2.81Å; K181-E184 PolarHBondContact O-N 3.02Å; K181-F185 WeakPolarHBondContact O-CB 3.4Å; K181-F185 PolarHBondContact O-N 3.44Å
182V98.5Very high98.4Very high83 Ų83101 Ų10150%0.50350%0.499SS..Hα-helixtrans-63-47.1177.1172.20000109.8D178 S179 D180 E184 F185 F186D178-V182 WeakPolarHBondContact O-CG2 3.16Å; D178-V182 PolarHBondContact O-N 2.88Å; D178-V182 VanDerWaalsContact O-N 3.1Å; S179-V182 PolarHBondContact O-N 2.87Å; D180-V182 VanDerWaalsContact C-N 3.3Å; D180-V182 PolarHBondContact O-N 2.7Å; V182-E184 PolarHBondContact O-N 3.26Å; V182-F185 PolarHBondContact O-N 3.4Å; V182-F186 HydrophobicContact CG1-CD2 3.88Å; V182-F186 HydrophobicContact CG1-CE2 3.97Å; V182-F186 WeakPolarHBondContact O-CD2 3.45Å; V182-F186 PolarHBondContact O-N 3.09Å; V182-F186 VanDerWaalsContact O-N 3.1Å
183K98.4Very high98.4Very high114 Ų114101.8 Ų101.850%0.49650%0.503SS..Hα-helixtrans-57.2-51176-68.9174.9-175.5168.30111.6S179 D180 F185 F186 E187S179-K183 PolarHBondContact O-N 2.96Å; D180-K183 PolarHBondContact O-N 3.3Å; D180-K183 IonicContact OD1-NZ 2.81Å; K183-F185 VanDerWaalsContact C-N 3.27Å; K183-F185 PolarHBondContact O-N 3.3Å; K183-F186 PolarHBondContact O-N 3.11Å; K183-F186 VanDerWaalsContact O-N 3.12Å; K183-E187 WeakPolarHBondContact O-CG 3.43Å; K183-E187 PolarHBondContact O-N 3.25Å
184E98.6Very high98.4Very high95 Ų95100.2 Ų100.244%0.44450%0.499SS..Hα-helixtrans-59.3-39.4-179.5-170-169.7163.900111.9D180 K181 V182 K188D180-E184 WeakPolarHBondContact O-CB 3.43Å; D180-E184 PolarHBondContact O-N 3.43Å; K181-E184 PolarHBondContact O-N 3.02Å; V182-E184 PolarHBondContact O-N 3.26Å; E184-K188 WeakPolarHBondContact O-CG 3.44Å; E184-K188 PolarHBondContact O-N 3.43Å; E184-K188 VanDerWaalsContact OE1-CE 3.25Å; E184-K188 WeakPolarHBondContact OE1-CE 3.18Å; E184-K188 IonicContact OE1-NZ 3.9Å; E184-K188 PolarHBondContact OE1-NZ 3.34Å
185F98.6Very high98.5Very high132 Ų13299.5 Ų99.558%0.57949%0.492SS*.Hα-helixtrans-61.7-46.6176178.3-95.3000111.9K181 V182 K183 K188 L189K181-F185 WeakPolarHBondContact O-CB 3.4Å; K181-F185 PolarHBondContact O-N 3.44Å; V182-F185 PolarHBondContact O-N 3.4Å; K183-F185 VanDerWaalsContact C-N 3.27Å; K183-F185 PolarHBondContact O-N 3.3Å; F185-K188 PolarHBondContact O-N 2.87Å; F185-L189 PolarHBondContact O-N 3.14Å
186F98.6Very high98.5Very high108 Ų10899.2 Ų99.247%0.47449%0.486SS..Hα-helixtrans-71.5-35-179.9-83.8-79000112.9V182 K183 K188 L189 Q190V182-F186 HydrophobicContact CG1-CD2 3.88Å; V182-F186 HydrophobicContact CG1-CE2 3.97Å; V182-F186 WeakPolarHBondContact O-CD2 3.45Å; V182-F186 PolarHBondContact O-N 3.09Å; V182-F186 VanDerWaalsContact O-N 3.1Å; K183-F186 PolarHBondContact O-N 3.11Å; K183-F186 VanDerWaalsContact O-N 3.12Å; F186-K188 VanDerWaalsContact C-N 3.35Å; F186-L189 HydrophobicContact CD1-CD2 4.34Å; F186-L189 HydrophobicContact CE1-CD2 4.47Å; F186-L189 PolarHBondContact O-N 2.65Å; F186-Q190 WeakPolarHBondContact O-CG 3.29Å; F186-Q190 PolarHBondContact O-N 2.95Å
187E98.6Very high98.5Very high122 Ų122101.3 Ų101.357%0.5749%0.489SS*.Hα-helixtrans-61.2-43.9172.3-74.2171.6-179.300111.3K183 L189 Q190 H191K183-E187 WeakPolarHBondContact O-CG 3.43Å; K183-E187 PolarHBondContact O-N 3.25Å; E187-L189 PolarHBondContact O-N 3.05Å; E187-Q190 PolarHBondContact O-N 2.69Å; E187-H191 WeakPolarHBondContact O-CB 3.41Å; E187-H191 PolarHBondContact O-N 3.42Å
188K98.6Very high98.5Very high118 Ų11899.8 Ų99.851%0.51349%0.486SS..Hα-helixtrans-61.9-43.4174.1-74.9174.8-174.4169.40111.9E184 F185 F186 H191 T192E184-K188 WeakPolarHBondContact O-CG 3.44Å; E184-K188 PolarHBondContact O-N 3.43Å; E184-K188 VanDerWaalsContact OE1-CE 3.25Å; E184-K188 WeakPolarHBondContact OE1-CE 3.18Å; E184-K188 IonicContact OE1-NZ 3.9Å; E184-K188 PolarHBondContact OE1-NZ 3.34Å; F185-K188 PolarHBondContact O-N 2.87Å; F186-K188 VanDerWaalsContact C-N 3.35Å; K188-H191 PolarHBondContact O-N 2.83Å; K188-T192 PolarHBondContact O-N 3.42Å; K188-T192 PolarHBondContact O-OG1 3.32Å; K188-T192 VanDerWaalsContact O-OG1 3.14Å
189L98.5Very high98.5Very high77 Ų77100.5 Ų100.540%0.40349%0.487SS..Hα-helixtrans-61.7-45.8178.2-176.963.9000111.5F185 F186 E187 H191 T192 L193F185-L189 PolarHBondContact O-N 3.14Å; F186-L189 HydrophobicContact CD1-CD2 4.34Å; F186-L189 HydrophobicContact CE1-CD2 4.47Å; F186-L189 PolarHBondContact O-N 2.65Å; E187-L189 PolarHBondContact O-N 3.05Å; L189-H191 VanDerWaalsContact C-N 3.35Å; L189-H191 PolarHBondContact O-N 3.27Å; L189-T192 PolarHBondContact O-N 3Å; L189-L193 HydrophobicContact CG-CD1 4.26Å; L189-L193 WeakPolarHBondContact O-CG 3.39Å; L189-L193 PolarHBondContact O-N 3.43Å
190Q98.4Very high98.5Very high120 Ų120102.3 Ų102.356%0.56149%0.492SS*.Hα-helixtrans-59.1-46.7175.4-73.91741.200111.1F186 E187 T192 L193 D194F186-Q190 WeakPolarHBondContact O-CG 3.29Å; F186-Q190 PolarHBondContact O-N 2.95Å; E187-Q190 PolarHBondContact O-N 2.69Å; Q190-T192 PolarHBondContact O-N 3.08Å; Q190-L193 PolarHBondContact O-N 2.89Å; Q190-D194 PolarHBondContact O-N 3.25Å
191H98.5Very high98.5Very high111 Ų111102.9 Ų102.951%0.51449%0.494SS..Hα-helixtrans-58.8-45.4178.2-174.266.3000112.5E187 K188 L189 L193 D194 Q195E187-H191 WeakPolarHBondContact O-CB 3.41Å; E187-H191 PolarHBondContact O-N 3.42Å; K188-H191 PolarHBondContact O-N 2.83Å; L189-H191 VanDerWaalsContact C-N 3.35Å; L189-H191 PolarHBondContact O-N 3.27Å; H191-L193 PolarHBondContact O-N 3.47Å; H191-D194 PolarHBondContact O-N 3.35Å; H191-Q195 PolarHBondContact NE2-NE2 2.88Å; H191-Q195 WeakPolarHBondContact O-CG 2.86Å; H191-Q195 PolarHBondContact O-N 3.08Å
192T98.6Very high98.5Very high73 Ų73101 Ų10145%0.44850%0.495SS..Hα-helixtrans-63.3-41.2176.5-59.10000112K188 L189 Q190 Q195 K196K188-T192 PolarHBondContact O-N 3.42Å; K188-T192 PolarHBondContact O-OG1 3.32Å; K188-T192 VanDerWaalsContact O-OG1 3.14Å; L189-T192 PolarHBondContact O-N 3Å; Q190-T192 PolarHBondContact O-N 3.08Å; T192-Q195 PolarHBondContact O-N 3.07Å; T192-K196 WeakPolarHBondContact O-CG 3.43Å; T192-K196 PolarHBondContact O-N 2.86Å
193L98.6Very high98.5Very high108 Ų108101.6 Ų101.657%0.56550%0.495SS*.Hα-helixtrans-64.3-42.7177.6-73.6173.6000111.9L189 Q190 H191 K196 K197L189-L193 HydrophobicContact CG-CD1 4.26Å; L189-L193 WeakPolarHBondContact O-CG 3.39Å; L189-L193 PolarHBondContact O-N 3.43Å; Q190-L193 PolarHBondContact O-N 2.89Å; H191-L193 PolarHBondContact O-N 3.47Å; L193-K196 PolarHBondContact O-N 3.45Å; L193-K197 WeakPolarHBondContact O-CB 3.12Å; L193-K197 PolarHBondContact O-N 3.32Å
194D98.6Very high98.5Very high88 Ų88102.2 Ų102.247%0.47150%0.498SS..Hα-helixtrans-65.6-39.7177.3-78.2-29.3000112Q190 H191 K197 N198Q190-D194 PolarHBondContact O-N 3.25Å; H191-D194 PolarHBondContact O-N 3.35Å; D194-K197 PolarHBondContact O-N 2.78Å; D194-N198 WeakPolarHBondContact O-CB 3.46Å; D194-N198 PolarHBondContact O-N 3.39Å; D194-N198 PolarHBondContact O-ND2 3.5Å
195Q98.5Very high98.5Very high92 Ų92102.9 Ų102.943%0.4350%0.501SS..Hα-helixtrans-58.6-50.2172.4-76.8179.7-24.100111.3H191 T192 K197 N198 E199H191-Q195 PolarHBondContact NE2-NE2 2.88Å; H191-Q195 WeakPolarHBondContact O-CG 2.86Å; H191-Q195 PolarHBondContact O-N 3.08Å; T192-Q195 PolarHBondContact O-N 3.07Å; Q195-K197 VanDerWaalsContact C-N 3.35Å; Q195-K197 PolarHBondContact O-N 2.86Å; Q195-N198 PolarHBondContact O-N 2.94Å; Q195-N198 VanDerWaalsContact O-N 3.17Å; Q195-E199 WeakPolarHBondContact O-CG 3.26Å; Q195-E199 PolarHBondContact O-N 3.3Å
196K98.4Very high98.5Very high111 Ų111100.6 Ų100.648%0.48350%0.498SS..Hα-helixtrans-62.9-39.1178.7-71-52.8-176.8-170.70113.3T192 L193 E199 I200T192-K196 WeakPolarHBondContact O-CG 3.43Å; T192-K196 PolarHBondContact O-N 2.86Å; L193-K196 PolarHBondContact O-N 3.45Å; K196-E199 WeakPolarHBondContact CD-OE2 3.24Å; K196-E199 IonicContact NZ-OE1 2.72Å; K196-E199 IonicContact NZ-OE2 3.91Å; K196-E199 PolarHBondContact NZ-OE2 3.26Å; K196-E199 PolarHBondContact O-N 2.65Å; K196-I200 WeakPolarHBondContact O-CG1 3.36Å; K196-I200 PolarHBondContact O-N 3.03Å; K196-I200 VanDerWaalsContact O-N 3.15Å
197K98.4Very high98.4Very high125 Ų125100.9 Ų100.954%0.54350%0.502SS..Hα-helixtrans-59.2-47.5173177.6-172.6170-173.50111.1L193 D194 Q195 I200 L201L193-K197 WeakPolarHBondContact O-CB 3.12Å; L193-K197 PolarHBondContact O-N 3.32Å; D194-K197 PolarHBondContact O-N 2.78Å; Q195-K197 VanDerWaalsContact C-N 3.35Å; Q195-K197 PolarHBondContact O-N 2.86Å; K197-I200 PolarHBondContact O-N 3.34Å; K197-L201 HydrophobicContact CG-CD1 4.19Å; K197-L201 WeakPolarHBondContact O-CG 3.44Å; K197-L201 PolarHBondContact O-N 3.49Å
198N98.4Very high98.4Very high96 Ų96100.7 Ų100.751%0.51350%0.499SS..Hα-helixtrans-69.6-35.7-177.5-68.5-24.2000112.5D194 Q195 L201 S202D194-N198 WeakPolarHBondContact O-CB 3.46Å; D194-N198 PolarHBondContact O-N 3.39Å; D194-N198 PolarHBondContact O-ND2 3.5Å; Q195-N198 PolarHBondContact O-N 2.94Å; Q195-N198 VanDerWaalsContact O-N 3.17Å; N198-L201 PolarHBondContact O-N 2.88Å; N198-S202 WeakPolarHBondContact O-CB 3.39Å; N198-S202 PolarHBondContact O-N 3.25Å
199E98.5Very high98.4Very high96 Ų9699.6 Ų99.645%0.44950%0.499SS..Hα-helixtrans-56-52.4170.7-74.9172.7-166.100110.6Q195 K196 L201 S202 D203Q195-E199 WeakPolarHBondContact O-CG 3.26Å; Q195-E199 PolarHBondContact O-N 3.3Å; K196-E199 WeakPolarHBondContact CD-OE2 3.24Å; K196-E199 IonicContact NZ-OE1 2.72Å; K196-E199 IonicContact NZ-OE2 3.91Å; K196-E199 PolarHBondContact NZ-OE2 3.26Å; K196-E199 PolarHBondContact O-N 2.65Å; E199-L201 VanDerWaalsContact C-N 3.34Å; E199-L201 PolarHBondContact O-N 3.07Å; E199-S202 WeakPolarHBondContact O-CB 3.43Å; E199-S202 PolarHBondContact O-N 3.48Å; E199-S202 VanDerWaalsContact O-N 3.13Å; E199-D203 PolarHBondContact O-N 3.41Å
200I98.4Very high98.4Very high94 Ų9498.4 Ų98.448%0.48250%0.5SS..Hα-helixtrans-61-42.7179.7-66165.9000111.4K196 K197 S202 D203 F204K196-I200 WeakPolarHBondContact O-CG1 3.36Å; K196-I200 PolarHBondContact O-N 3.03Å; K196-I200 VanDerWaalsContact O-N 3.15Å; K197-I200 PolarHBondContact O-N 3.34Å; I200-S202 VanDerWaalsContact C-N 3.3Å; I200-S202 PolarHBondContact O-N 3.05Å; I200-D203 WeakPolarHBondContact O-CB 3.11Å; I200-D203 PolarHBondContact O-N 3.11Å; I200-F204 HydrophobicContact CG2-CD2 3.92Å; I200-F204 HydrophobicContact CG2-CE2 3.78Å; I200-F204 VanDerWaalsContact O-CD2 3.29Å; I200-F204 WeakPolarHBondContact O-CD2 3.29Å; I200-F204 PolarHBondContact O-N 3.2Å; I200-F204 VanDerWaalsContact O-N 3.1Å
201L98.6Very high98.4Very high90 Ų9096.8 Ų96.847%0.47150%0.498SS..Hα-helixtrans-63.2-37.9177.5-70.9174.2000112.1K197 N198 E199 D203 F204 E205K197-L201 HydrophobicContact CG-CD1 4.19Å; K197-L201 WeakPolarHBondContact O-CG 3.44Å; K197-L201 PolarHBondContact O-N 3.49Å; N198-L201 PolarHBondContact O-N 2.88Å; E199-L201 VanDerWaalsContact C-N 3.34Å; E199-L201 PolarHBondContact O-N 3.07Å; L201-D203 VanDerWaalsContact C-N 3.33Å; L201-F204 PolarHBondContact O-N 3.36Å; L201-E205 PolarHBondContact O-N 2.72Å
202S98.4Very high98.4Very high69 Ų6995.5 Ų95.548%0.48349%0.493SS..Hα-helixtrans-63.8-38.3174.6-172.80000112.1N198 E199 I200 F204 E205 T206N198-S202 WeakPolarHBondContact O-CB 3.39Å; N198-S202 PolarHBondContact O-N 3.25Å; E199-S202 WeakPolarHBondContact O-CB 3.43Å; E199-S202 PolarHBondContact O-N 3.48Å; E199-S202 VanDerWaalsContact O-N 3.13Å; I200-S202 VanDerWaalsContact C-N 3.3Å; I200-S202 PolarHBondContact O-N 3.05Å; S202-F204 VanDerWaalsContact C-N 3.33Å; S202-E205 PolarHBondContact O-N 3.3Å; S202-T206 PolarHBondContact O-N 3.46Å; S202-T206 PolarHBondContact O-OG1 3.09Å
203D98.3Very high98.3Very high94 Ų9499 Ų9950%0.50350%0.504SS..Hα-helixtrans-62.1-42.3174.2-67.2-21.2000111E199 I200 L201 T206 M207E199-D203 PolarHBondContact O-N 3.41Å; I200-D203 WeakPolarHBondContact O-CB 3.11Å; I200-D203 PolarHBondContact O-N 3.11Å; L201-D203 VanDerWaalsContact C-N 3.33Å; D203-T206 WeakPolarHBondContact O-CB 3.38Å; D203-T206 PolarHBondContact O-N 3.11Å; D203-M207 WeakPolarHBondContact O-CG 3.38Å; D203-M207 PolarHBondContact O-N 2.81Å
204F98.4Very high98.3Very high128 Ų12896.8 Ų96.856%0.56150%0.502SS*.Hα-helixtrans-63.6-40.8176-85.5-75.1000113.1I200 L201 S202 T206 M207 K208I200-F204 HydrophobicContact CG2-CD2 3.92Å; I200-F204 HydrophobicContact CG2-CE2 3.78Å; I200-F204 VanDerWaalsContact O-CD2 3.29Å; I200-F204 WeakPolarHBondContact O-CD2 3.29Å; I200-F204 PolarHBondContact O-N 3.2Å; I200-F204 VanDerWaalsContact O-N 3.1Å; L201-F204 PolarHBondContact O-N 3.36Å; S202-F204 VanDerWaalsContact C-N 3.33Å; F204-T206 VanDerWaalsContact C-N 3.28Å; F204-T206 PolarHBondContact O-N 3.41Å; F204-M207 PolarHBondContact O-N 3.13Å; F204-K208 WeakPolarHBondContact O-CB 3.2Å; F204-K208 PolarHBondContact O-N 3.21Å
205E98.3Very high98.2Very high108 Ų10899.9 Ų99.951%0.50551%0.508SS..Hα-helixtrans-64-37174.2-71.3-59149.400111.5L201 S202 K208 L209L201-E205 PolarHBondContact O-N 2.72Å; S202-E205 PolarHBondContact O-N 3.3Å; E205-K208 WeakPolarHBondContact O-CB 3.4Å; E205-K208 PolarHBondContact O-N 2.84Å; E205-K208 IonicContact OE2-NZ 2.72Å; E205-L209 WeakPolarHBondContact O-CG 3.43Å; E205-L209 PolarHBondContact O-N 3.48Å
206T98.4Very high98.2Very high85 Ų8598.8 Ų98.852%0.52151%0.505SS..Hα-helixtrans-63.8-43.8174.2-54.40000111.3S202 D203 F204 K208 L209 A210S202-T206 PolarHBondContact O-N 3.46Å; S202-T206 PolarHBondContact O-OG1 3.09Å; D203-T206 WeakPolarHBondContact O-CB 3.38Å; D203-T206 PolarHBondContact O-N 3.11Å; F204-T206 VanDerWaalsContact C-N 3.28Å; F204-T206 PolarHBondContact O-N 3.41Å; T206-K208 VanDerWaalsContact C-N 3.34Å; T206-K208 PolarHBondContact O-N 3.18Å; T206-L209 PolarHBondContact O-N 3.27Å; T206-A210 PolarHBondContact O-N 2.68Å
207M98Very high98.1Very high113 Ų11396.9 Ų96.956%0.55750%0.504SS*.Hα-helixtrans-62.4-41.1175-68.6-179.4-163.400111.6D203 F204 L209 A210 V211D203-M207 WeakPolarHBondContact O-CG 3.38Å; D203-M207 PolarHBondContact O-N 2.81Å; F204-M207 PolarHBondContact O-N 3.13Å; M207-L209 PolarHBondContact O-N 3.42Å; M207-A210 WeakPolarHBondContact O-CB 3.15Å; M207-A210 PolarHBondContact O-N 3.26Å; M207-V211 WeakPolarHBondContact O-CG2 3.38Å; M207-V211 PolarHBondContact O-N 3.3Å
208K98.1Very high98Very high118 Ų11896 Ų9651%0.51350%0.502SS..Hα-helixtrans-61.2-44.5176.6-177.3-175.2174-170.90111.5F204 E205 T206 A210 V211 M212F204-K208 WeakPolarHBondContact O-CB 3.2Å; F204-K208 PolarHBondContact O-N 3.21Å; E205-K208 WeakPolarHBondContact O-CB 3.4Å; E205-K208 PolarHBondContact O-N 2.84Å; E205-K208 IonicContact OE2-NZ 2.72Å; T206-K208 VanDerWaalsContact C-N 3.34Å; T206-K208 PolarHBondContact O-N 3.18Å; K208-A210 VanDerWaalsContact C-N 3.33Å; K208-A210 PolarHBondContact O-N 3.27Å; K208-V211 PolarHBondContact O-N 3.07Å; K208-M212 HydrophobicContact CG-SD 4.49Å; K208-M212 WeakPolarHBondContact O-CG 3.21Å; K208-M212 PolarHBondContact O-N 3.07Å
209L98.1Very high97.9Very high95 Ų9595.4 Ų95.450%0.49750%0.498SS..Hα-helixtrans-61.1-42174.8-72.7170.5000111.7E205 T206 M207 V211 M212 Q213E205-L209 WeakPolarHBondContact O-CG 3.43Å; E205-L209 PolarHBondContact O-N 3.48Å; T206-L209 PolarHBondContact O-N 3.27Å; M207-L209 PolarHBondContact O-N 3.42Å; L209-V211 VanDerWaalsContact C-N 3.33Å; L209-V211 PolarHBondContact O-N 3.15Å; L209-M212 PolarHBondContact O-N 3.35Å; L209-Q213 WeakPolarHBondContact O-CB 3.39Å; L209-Q213 VanDerWaalsContact O-CG 3.28Å; L209-Q213 WeakPolarHBondContact O-CG 3.36Å; L209-Q213 PolarHBondContact O-N 2.81Å
210A98.3Very high97.7Very high52 Ų5295.5 Ų95.543%0.4350%0.502SS..Hα-helixtrans-62.3-40.4176.600000112.1T206 M207 K208 Q213 A214T206-A210 PolarHBondContact O-N 2.68Å; M207-A210 WeakPolarHBondContact O-CB 3.15Å; M207-A210 PolarHBondContact O-N 3.26Å; K208-A210 VanDerWaalsContact C-N 3.33Å; K208-A210 PolarHBondContact O-N 3.27Å; A210-Q213 PolarHBondContact O-N 3.17Å; A210-A214 WeakPolarHBondContact O-CB 3.07Å; A210-A214 PolarHBondContact O-N 3.19Å
211V98.3Very high97.5Very high86 Ų8694.2 Ų94.252%0.52149%0.492SS..Hα-helixtrans-62-48.8173.8172.60000110.6M207 K208 L209 Q213 A214 Y215M207-V211 WeakPolarHBondContact O-CG2 3.38Å; M207-V211 PolarHBondContact O-N 3.3Å; K208-V211 PolarHBondContact O-N 3.07Å; L209-V211 VanDerWaalsContact C-N 3.33Å; L209-V211 PolarHBondContact O-N 3.15Å; V211-Q213 VanDerWaalsContact C-N 3.34Å; V211-Q213 PolarHBondContact O-N 3.41Å; V211-A214 PolarHBondContact O-N 3.33Å; V211-A214 VanDerWaalsContact O-N 3.16Å; V211-Y215 HydrophobicContact CG1-CD2 3.94Å; V211-Y215 HydrophobicContact CG1-CE2 4.32Å; V211-Y215 WeakPolarHBondContact O-CD2 3.44Å; V211-Y215 PolarHBondContact O-N 3.07Å
212M98.1Very high97.2Very high84 Ų8494.8 Ų94.841%0.41450%0.496SS..Hα-helixtrans-57.5-46.9177.1-70176.765.300111.6K208 L209 A214 Y215 D216K208-M212 HydrophobicContact CG-SD 4.49Å; K208-M212 WeakPolarHBondContact O-CG 3.21Å; K208-M212 PolarHBondContact O-N 3.07Å; L209-M212 PolarHBondContact O-N 3.35Å; M212-A214 VanDerWaalsContact C-N 3.25Å; M212-A214 PolarHBondContact O-N 2.59Å; M212-Y215 PolarHBondContact O-N 3.41Å; M212-D216 WeakPolarHBondContact O-CB 3.45Å; M212-D216 PolarHBondContact O-N 2.82Å
213Q97.7Very high97.1Very high146 Ų14695.6 Ų95.668%0.68249%0.494SS*.Hα-helixtrans-62.1-30.4178.6-73.9175-1300113.6L209 A210 V211 P217L209-Q213 WeakPolarHBondContact O-CB 3.39Å; L209-Q213 VanDerWaalsContact O-CG 3.28Å; L209-Q213 WeakPolarHBondContact O-CG 3.36Å; L209-Q213 PolarHBondContact O-N 2.81Å; A210-Q213 PolarHBondContact O-N 3.17Å; V211-Q213 VanDerWaalsContact C-N 3.34Å; V211-Q213 PolarHBondContact O-N 3.41Å; Q213-P217 VanDerWaalsContact O-CD 3.26Å; Q213-P217 WeakPolarHBondContact O-CD 3.45Å; Q213-P217 WeakPolarHBondContact O-CG 3.33Å
214A97.5Very high96.8Very high62 Ų6294.7 Ų94.751%0.51249%0.493SS..Hα-helixtrans-78.7-39177.600000112.9A210 V211 M212A210-A214 WeakPolarHBondContact O-CB 3.07Å; A210-A214 PolarHBondContact O-N 3.19Å; V211-A214 PolarHBondContact O-N 3.33Å; V211-A214 VanDerWaalsContact O-N 3.16Å; M212-A214 VanDerWaalsContact C-N 3.25Å; M212-A214 PolarHBondContact O-N 2.59Å
215Y97.5Very high96.4Very high154 Ų15489.9 Ų89.960%0.60447%0.473SS*.Hα-helixtrans-98.6-34.9-171.5-75.6-88000114.2V211 M212 E218 I219V211-Y215 HydrophobicContact CG1-CD2 3.94Å; V211-Y215 HydrophobicContact CG1-CE2 4.32Å; V211-Y215 WeakPolarHBondContact O-CD2 3.44Å; V211-Y215 PolarHBondContact O-N 3.07Å; M212-Y215 PolarHBondContact O-N 3.41Å; Y215-E218 PolarHBondContact O-N 2.84Å; Y215-I219 WeakPolarHBondContact O-CG1 3.36Å; Y215-I219 PolarHBondContact O-N 2.73Å
216D98.1Very high96.2Very high69 Ų6989.5 Ų89.537%0.36947%0.473SS..Hα-helixtrans-59-41.4-176.7-70.1-15.7000113.1M212 E218 I219 N220M212-D216 WeakPolarHBondContact O-CB 3.45Å; M212-D216 PolarHBondContact O-N 2.82Å; D216-E218 PolarHBondContact O-N 3.23Å; D216-I219 PolarHBondContact O-N 2.95Å; D216-N220 VanDerWaalsContact O-CB 3.3Å; D216-N220 WeakPolarHBondContact O-CB 3.43Å; D216-N220 PolarHBondContact O-N 3.08Å; D216-N220 PolarHBondContact O-ND2 3.36Å
217P96.5Very high95.9Very high71 Ų7190.7 Ų90.746%0.46147%0.473SS..Hα-helixtrans-62.7-42.2177-22.935.2000112.7Q213 N220 K221Q213-P217 VanDerWaalsContact O-CD 3.26Å; Q213-P217 WeakPolarHBondContact O-CD 3.45Å; Q213-P217 WeakPolarHBondContact O-CG 3.33Å; P217-N220 PolarHBondContact O-N 3.49Å; P217-K221 VanDerWaalsContact O-CB 3.27Å; P217-K221 WeakPolarHBondContact O-CB 3.49Å; P217-K221 PolarHBondContact O-N 3.13Å
218E95.4Very high95.5Very high105 Ų10587 Ų8749%0.49145%0.454SS..Hα-helixtrans-67.1-42.4179.1-63.8-56.614100111.4Y215 D216 K221 L222Y215-E218 PolarHBondContact O-N 2.84Å; D216-E218 PolarHBondContact O-N 3.23Å; E218-K221 PolarHBondContact O-N 3.24Å; E218-L222 WeakPolarHBondContact O-CG 3.48Å; E218-L222 PolarHBondContact O-N 3.48Å
219I96.4Very high95.3Very high84 Ų8485.6 Ų85.643%0.43145%0.45SS..Hα-helixtrans-60.6-47.2174.3-68.8168.8000110.2Y215 D216 K221 L222 N223Y215-I219 WeakPolarHBondContact O-CG1 3.36Å; Y215-I219 PolarHBondContact O-N 2.73Å; D216-I219 PolarHBondContact O-N 2.95Å; I219-K221 VanDerWaalsContact C-N 3.33Å; I219-K221 PolarHBondContact O-N 3.49Å; I219-L222 PolarHBondContact O-N 3.48Å; I219-N223 WeakPolarHBondContact CG2-ND2 3.22Å; I219-N223 WeakPolarHBondContact O-CB 3.29Å; I219-N223 VanDerWaalsContact O-CG 3.3Å; I219-N223 PolarHBondContact O-N 3.4Å; I219-N223 PolarHBondContact O-ND2 3.25Å
220N95.8Very high95.1Very high99 Ų9989.8 Ų89.853%0.52946%0.459SS..Hα-helixtrans-64.7-37.3179.7-73.9-31.3000112.6D216 P217 T224D216-N220 VanDerWaalsContact O-CB 3.3Å; D216-N220 WeakPolarHBondContact O-CB 3.43Å; D216-N220 PolarHBondContact O-N 3.08Å; D216-N220 PolarHBondContact O-ND2 3.36Å; P217-N220 PolarHBondContact O-N 3.49Å; N220-T224 PolarHBondContact O-N 3.45Å; N220-T224 PolarHBondContact O-OG1 3.24Å
221K92.6Very high94.8Very high66 Ų6690.7 Ų90.729%0.28746%0.455SS..Hα-helixtrans-63-49.9174.8-175.6-177.1175.7-156.60111.1P217 E218 I219 N223 T224 I225 P266P217-K221 VanDerWaalsContact O-CB 3.27Å; P217-K221 WeakPolarHBondContact O-CB 3.49Å; P217-K221 PolarHBondContact O-N 3.13Å; E218-K221 PolarHBondContact O-N 3.24Å; I219-K221 VanDerWaalsContact C-N 3.33Å; I219-K221 PolarHBondContact O-N 3.49Å; K221-N223 PolarHBondContact O-N 3.02Å; K221-T224 WeakPolarHBondContact O-CB 3.41Å; K221-T224 PolarHBondContact O-N 3.45Å; K221-I225 HydrophobicContact CG-CD1 4.45Å; K221-I225 WeakPolarHBondContact O-CG1 3.37Å; K221-I225 PolarHBondContact O-N 3.4Å; K221-P266 WeakPolarHBondContact CE-O 3.28Å; K221-P266 PolarHBondContact NZ-O 3.05Å; K221-P266 PolarHBondContact NZ-OXT 3.24Å
222L93.4Very high94.4Very high103 Ų10386.8 Ų86.854%0.53943%0.431SS..Hα-helixtrans-62.9-40.8177.3-73172.9000112.3E218 I219 T224 I225 L226E218-L222 WeakPolarHBondContact O-CG 3.48Å; E218-L222 PolarHBondContact O-N 3.48Å; I219-L222 PolarHBondContact O-N 3.48Å; L222-T224 VanDerWaalsContact C-N 3.31Å; L222-T224 PolarHBondContact O-N 3Å; L222-I225 PolarHBondContact O-N 2.67Å; L222-L226 WeakPolarHBondContact O-CB 3.47Å; L222-L226 WeakPolarHBondContact O-CG 3.21Å; L222-L226 PolarHBondContact O-N 3.24Å
223N95.1Very high94.2Very high85 Ų8589 Ų8946%0.45544%0.439SS..Hα-helixtrans-59.6-42.5175.2-78.1-32000111.8I219 K221 L226 Q227I219-N223 WeakPolarHBondContact CG2-ND2 3.22Å; I219-N223 WeakPolarHBondContact O-CB 3.29Å; I219-N223 VanDerWaalsContact O-CG 3.3Å; I219-N223 PolarHBondContact O-N 3.4Å; I219-N223 PolarHBondContact O-ND2 3.25Å; K221-N223 PolarHBondContact O-N 3.02Å; N223-L226 PolarHBondContact O-N 3.14Å; N223-Q227 WeakPolarHBondContact O-CB 3.37Å; N223-Q227 PolarHBondContact O-N 3.47Å
224T92.3Very high94Very high76 Ų7686.3 Ų86.347%0.46643%0.429SS..Hα-helixtrans-61.1-46.3175.2-55.90000111.4N220 K221 L222 L226 Q227 E228N220-T224 PolarHBondContact O-N 3.45Å; N220-T224 PolarHBondContact O-OG1 3.24Å; K221-T224 WeakPolarHBondContact O-CB 3.41Å; K221-T224 PolarHBondContact O-N 3.45Å; L222-T224 VanDerWaalsContact C-N 3.31Å; L222-T224 PolarHBondContact O-N 3Å; T224-L226 PolarHBondContact O-N 3.22Å; T224-Q227 WeakPolarHBondContact O-CB 3.42Å; T224-Q227 PolarHBondContact O-N 3.27Å; T224-E228 PolarHBondContact O-N 3.44Å
225I90.8Very high93.6Very high27 Ų2784.4 Ų84.414%0.13841%0.411CS..Hα-helixtrans-61.4-46178-66.9168.3000111K221 L222 Q227 E228 Q229 I262 T265K221-I225 HydrophobicContact CG-CD1 4.45Å; K221-I225 WeakPolarHBondContact O-CG1 3.37Å; K221-I225 PolarHBondContact O-N 3.4Å; L222-I225 PolarHBondContact O-N 2.67Å; I225-Q227 VanDerWaalsContact C-N 3.27Å; I225-Q227 PolarHBondContact O-N 2.86Å; I225-E228 PolarHBondContact O-N 2.95Å; I225-Q229 HydrophobicContact CG2-CG 4.33Å; I225-Q229 WeakPolarHBondContact O-CB 3.31Å; I225-Q229 WeakPolarHBondContact O-CG 3.25Å; I225-Q229 PolarHBondContact O-N 2.93Å; I225-I262 HydrophobicContact CG2-CG2 4.41Å; I225-T265 HydrophobicContact CD1-CG2 3.97Å; I225-T265 HydrophobicContact CG1-CG2 3.89Å
226L92.9Very high93.3Very high100 Ų10078.4 Ų78.452%0.52439%0.393SS..Hα-helixtrans-61.9-36.2178.1-72.7172.8000112L222 N223 T224 R230L222-L226 WeakPolarHBondContact O-CB 3.47Å; L222-L226 WeakPolarHBondContact O-CG 3.21Å; L222-L226 PolarHBondContact O-N 3.24Å; N223-L226 PolarHBondContact O-N 3.14Å; T224-L226 PolarHBondContact O-N 3.22Å; L226-R230 WeakPolarHBondContact O-CB 3.37Å; L226-R230 PolarHBondContact O-N 3.44Å
227Q93.1Very high93.1Very high110 Ų11080 Ų8051%0.51440%0.398SS..Hα-helixtrans-66-46.8175.1-178.9173.4-8.600111.6N223 T224 I225 Q229 R230 M231N223-Q227 WeakPolarHBondContact O-CB 3.37Å; N223-Q227 PolarHBondContact O-N 3.47Å; T224-Q227 WeakPolarHBondContact O-CB 3.42Å; T224-Q227 PolarHBondContact O-N 3.27Å; I225-Q227 VanDerWaalsContact C-N 3.27Å; I225-Q227 PolarHBondContact O-N 2.86Å; Q227-Q229 PolarHBondContact O-N 3.16Å; Q227-R230 PolarHBondContact O-N 3.09Å; Q227-M231 HydrophobicContact CG-CE 3.95Å; Q227-M231 WeakPolarHBondContact O-CG 3.31Å; Q227-M231 PolarHBondContact O-N 3.08Å
228E90.6Very high92.7Very high34 Ų3479.7 Ų79.716%0.15940%0.401CS..Hα-helixtrans-63.2-40.8176.4-70.1-60.2144.300111.8T224 I225 R230 M231 A232 K258 V261 I262T224-E228 PolarHBondContact O-N 3.44Å; I225-E228 PolarHBondContact O-N 2.95Å; E228-R230 VanDerWaalsContact C-N 3.34Å; E228-R230 PolarHBondContact O-N 2.8Å; E228-M231 PolarHBondContact O-N 3.25Å; E228-A232 WeakPolarHBondContact O-CB 3.4Å; E228-A232 PolarHBondContact O-N 3.33Å; E228-K258 IonicContact OE1-NZ 3.58Å; E228-K258 PolarHBondContact OE1-NZ 2.8Å; E228-K258 WeakPolarHBondContact OE2-CD 3.49Å; E228-K258 WeakPolarHBondContact OE2-CE 3.44Å; E228-K258 IonicContact OE2-NZ 2.84Å; E228-K258 PolarHBondContact OE2-NZ 2.93Å; E228-V261 HydrophobicContact CG-CG1 4.4Å; E228-I262 HydrophobicContact CB-CD1 4.25Å; E228-I262 HydrophobicContact CB-CG1 3.73Å
229Q92.3Very high92.4Very high90 Ų9075.3 Ų75.342%0.42138%0.381SS..Hα-helixtrans-59.6-43.8173.8-76.1178.1-1.200112I225 Q227 A232 F233 I262I225-Q229 HydrophobicContact CG2-CG 4.33Å; I225-Q229 WeakPolarHBondContact O-CB 3.31Å; I225-Q229 WeakPolarHBondContact O-CG 3.25Å; I225-Q229 PolarHBondContact O-N 2.93Å; Q227-Q229 PolarHBondContact O-N 3.16Å; Q229-A232 PolarHBondContact O-N 3.23Å; Q229-F233 WeakPolarHBondContact O-CB 3.46Å; Q229-F233 PolarHBondContact O-N 3.25Å; Q229-I262 HydrophobicContact CB-CD1 4.37Å; Q229-I262 HydrophobicContact CG-CD1 3.86Å; Q229-I262 HydrophobicContact CG-CG1 4.23Å; Q229-I262 HydrophobicContact CG-CG2 4Å
230R94.2Very high92Very high183 Ų18377.1 Ų77.169%0.69139%0.386SS*.Hα-helixtrans-62.6-43.4176.3-174.6-176.9-68.2-131.60.1111.5L226 Q227 E228 F233 N234L226-R230 WeakPolarHBondContact O-CB 3.37Å; L226-R230 PolarHBondContact O-N 3.44Å; Q227-R230 PolarHBondContact O-N 3.09Å; E228-R230 VanDerWaalsContact C-N 3.34Å; E228-R230 PolarHBondContact O-N 2.8Å; R230-F233 PolarHBondContact O-N 3.25Å; R230-N234 VanDerWaalsContact O-CG 3.26Å; R230-N234 PolarHBondContact O-N 2.97Å; R230-N234 PolarHBondContact O-OD1 2.9Å
231M91.3Very high91.7Very high71 Ų7178.7 Ų78.735%0.3539%0.394SS..Hα-helixtrans-61.9-46.9175.7-69.8-178.1-178.600111.5Q227 E228 F233 N234 I235Q227-M231 HydrophobicContact CG-CE 3.95Å; Q227-M231 WeakPolarHBondContact O-CG 3.31Å; Q227-M231 PolarHBondContact O-N 3.08Å; E228-M231 PolarHBondContact O-N 3.25Å; M231-F233 VanDerWaalsContact C-N 3.32Å; M231-F233 PolarHBondContact O-N 3.24Å; M231-N234 PolarHBondContact O-N 3.01Å; M231-I235 WeakPolarHBondContact O-CG1 3.35Å; M231-I235 PolarHBondContact O-N 3.28Å
232A91.9Very high91.6Very high3 Ų377.7 Ų77.73%0.02539%0.393CS..Hα-helixtrans-59.6-43.2177.900000111.8E228 Q229 I235 A236 F255 K258 I259 I262E228-A232 WeakPolarHBondContact O-CB 3.4Å; E228-A232 PolarHBondContact O-N 3.33Å; Q229-A232 PolarHBondContact O-N 3.23Å; A232-I235 PolarHBondContact O-N 3.4Å; A232-A236 WeakPolarHBondContact O-CB 3.32Å; A232-A236 PolarHBondContact O-N 2.97Å; A232-F255 HydrophobicContact CB-CD2 4.21Å; A232-F255 HydrophobicContact CB-CE2 4Å; A232-F255 VanDerWaalsContact O-CD2 3.28Å; A232-F255 WeakPolarHBondContact O-CD2 3.43Å; A232-F255 VanDerWaalsContact O-CE2 3.27Å; A232-F255 WeakPolarHBondContact O-CE2 3.39Å; A232-K258 HydrophobicContact CB-CB 3.95Å; A232-I259 HydrophobicContact CB-CD1 4.36Å; A232-I262 HydrophobicContact CB-CD1 3.94Å
233F93.5Very high91.3Very high131 Ų13178.4 Ų78.458%0.57541%0.407SS*.Hα-helixtrans-60.5-47.5176.1-177.2-90.5000111.8Q229 R230 M231 I235 A236 E237Q229-F233 WeakPolarHBondContact O-CB 3.46Å; Q229-F233 PolarHBondContact O-N 3.25Å; R230-F233 PolarHBondContact O-N 3.25Å; M231-F233 VanDerWaalsContact C-N 3.32Å; M231-F233 PolarHBondContact O-N 3.24Å; F233-I235 VanDerWaalsContact C-N 3.33Å; F233-I235 PolarHBondContact O-N 2.73Å; F233-A236 PolarHBondContact O-N 3.39Å; F233-E237 WeakPolarHBondContact O-CB 3.36Å; F233-E237 PolarHBondContact O-N 3.23Å
234N92.1Very high91.2Very high89 Ų8980 Ų8048%0.47641%0.411SS..Hα-helixtrans-61.7-40.5178.8-69.9-11.1000112.1R230 M231 E237 A238R230-N234 VanDerWaalsContact O-CG 3.26Å; R230-N234 PolarHBondContact O-N 2.97Å; R230-N234 PolarHBondContact O-OD1 2.9Å; M231-N234 PolarHBondContact O-N 3.01Å; N234-E237 PolarHBondContact O-N 3.28Å; N234-A238 WeakPolarHBondContact O-CB 3.42Å; N234-A238 PolarHBondContact O-N 3Å
235I90.1Very high91.1Very high23 Ų2380.8 Ų80.812%0.11842%0.418CS..Hα-helixtrans-61.9-53.2175.1-64.8163.8000109.1M231 A232 F233 E237 A238 F239 E254 F255 K258M231-I235 WeakPolarHBondContact O-CG1 3.35Å; M231-I235 PolarHBondContact O-N 3.28Å; A232-I235 PolarHBondContact O-N 3.4Å; F233-I235 VanDerWaalsContact C-N 3.33Å; F233-I235 PolarHBondContact O-N 2.73Å; I235-E237 VanDerWaalsContact C-N 3.25Å; I235-E237 PolarHBondContact O-N 3.11Å; I235-A238 PolarHBondContact O-N 2.84Å; I235-F239 HydrophobicContact CG2-CD1 3.89Å; I235-F239 HydrophobicContact CG2-CE1 3.93Å; I235-F239 WeakPolarHBondContact O-CD1 3.47Å; I235-F239 PolarHBondContact O-N 2.79Å; I235-E254 HydrophobicContact CD1-CG 4.03Å; I235-F255 HydrophobicContact CG2-CB 3.94Å; I235-K258 HydrophobicContact CD1-CG 3.94Å
236A91.6Very high91.1Very high28 Ų2885.1 Ų85.123%0.23144%0.44CS..Hα-helixtrans-53.6-42.6178.700000112.8A232 F233 F239 K240 F255A232-A236 WeakPolarHBondContact O-CB 3.32Å; A232-A236 PolarHBondContact O-N 2.97Å; F233-A236 PolarHBondContact O-N 3.39Å; A236-F239 VanDerWaalsContact CA-CE1 3.5Å; A236-F239 HydrophobicContact CB-CE1 4.46Å; A236-K240 WeakPolarHBondContact O-CB 3.49Å; A236-K240 PolarHBondContact O-N 3.08Å; A236-F255 HydrophobicContact CB-CD2 4.01Å; A236-F255 HydrophobicContact CB-CE2 3.66Å; A236-F255 HydrophobicContact CB-CZ 3.99Å
237E92.7Very high90.9Very high101 Ų10182.4 Ų82.447%0.47243%0.428SS..Hα-helixtrans-66.3-39.2177.9-172.9172.7-149.100112.6F233 N234 I235 F239 K240F233-E237 WeakPolarHBondContact O-CB 3.36Å; F233-E237 PolarHBondContact O-N 3.23Å; N234-E237 PolarHBondContact O-N 3.28Å; I235-E237 VanDerWaalsContact C-N 3.25Å; I235-E237 PolarHBondContact O-N 3.11Å; E237-F239 PolarHBondContact O-N 3.11Å; E237-K240 WeakPolarHBondContact O-CG 3.41Å
238A89.5Confident90.9Very high65 Ų6580.8 Ų80.854%0.53742%0.419SS..Hα-helixtrans-68.6-30.2-176.800000113.8N234 I235N234-A238 WeakPolarHBondContact O-CB 3.42Å; N234-A238 PolarHBondContact O-N 3Å; I235-A238 PolarHBondContact O-N 2.84Å
239F88.8Confident90.9Very high13 Ų1384.9 Ų84.96%0.05744%0.441CS..Hα-helixtrans-107.3-4.4-175.881.7-99.6000115.3I235 A236 E237 D241 V242 F248 Q251 M252 F255I235-F239 HydrophobicContact CG2-CD1 3.89Å; I235-F239 HydrophobicContact CG2-CE1 3.93Å; I235-F239 WeakPolarHBondContact O-CD1 3.47Å; I235-F239 PolarHBondContact O-N 2.79Å; A236-F239 VanDerWaalsContact CA-CE1 3.5Å; A236-F239 HydrophobicContact CB-CE1 4.46Å; E237-F239 PolarHBondContact O-N 3.11Å; F239-D241 PolarHBondContact O-N 3.28Å; F239-D241 VanDerWaalsContact O-N 3.11Å; F239-V242 HydrophobicContact CB-CG2 4.21Å; F239-V242 WeakPolarHBondContact O-CB 3.1Å; F239-V242 PolarHBondContact O-N 3.31Å; F239-V242 VanDerWaalsContact O-N 3.1Å; F239-F248 AromaticContact CD2-CD2 3.76Å; F239-F248 HydrophobicContact CD2-CD2 3.76Å; F239-F248 AromaticContact CD2-CE2 3.6Å; F239-F248 HydrophobicContact CD2-CE2 3.6Å; F239-F248 HydrophobicContact CD2-CZ 4.29Å; F239-F248 HydrophobicContact CE2-CD2 4.35Å; F239-F248 AromaticContact CE2-CE2 3.8Å; F239-F248 HydrophobicContact CE2-CE2 3.8Å; F239-F248 HydrophobicContact CE2-CZ 4.06Å; F239-Q251 HydrophobicContact CB-CB 3.78Å; F239-Q251 HydrophobicContact CB-CG 4.31Å; F239-Q251 HydrophobicContact CD1-CB 3.74Å; F239-Q251 HydrophobicContact CG-CB 3.82Å; F239-M252 HydrophobicContact CE2-CB 4.32Å; F239-M252 HydrophobicContact CE2-SD 3.88Å; F239-M252 HydrophobicContact CZ-CB 4.48Å; F239-M252 HydrophobicContact CZ-SD 3.69Å; F239-F255 HydrophobicContact CE1-CB 3.79Å; F239-F255 HydrophobicContact CE1-CD1 4.41Å; F239-F255 HydrophobicContact CE1-CG 4.06Å; F239-F255 HydrophobicContact CZ-CB 4.17Å; F239-F255 HydrophobicContact CZ-CD1 4.16Å; F239-F255 HydrophobicContact CZ-CG 4.27Å
240K88.3Confident90.7Very high123 Ų12386.5 Ų86.554%0.53545%0.449SS..THydrogen-bonded Turntrans-56.4-31.6-175.374.4-170.2-179.9-170.50114.1A236 E237A236-K240 WeakPolarHBondContact O-CB 3.49Å; A236-K240 PolarHBondContact O-N 3.08Å; E237-K240 WeakPolarHBondContact O-CG 3.41Å
241D88.9Confident90.6Very high132 Ų13280.1 Ų80.171%0.70643%0.427SS*.THydrogen-bonded Turntrans-11113.1-176.8-59-49.9000112.6F239 S243F239-D241 PolarHBondContact O-N 3.28Å; F239-D241 VanDerWaalsContact O-N 3.11Å; D241-S243 PolarHBondContact O-N 3.37Å
242V90.4Very high90.6Very high45 Ų4579 Ų7927%0.27342%0.422SS..  trans-77.9122.9-178.3170.90000111F239 E244 V247 F248F239-V242 HydrophobicContact CB-CG2 4.21Å; F239-V242 WeakPolarHBondContact O-CB 3.1Å; F239-V242 PolarHBondContact O-N 3.31Å; F239-V242 VanDerWaalsContact O-N 3.1Å; V242-E244 HydrophobicContact CG1-CB 4.33Å; V242-V247 HydrophobicContact CG1-CB 4.25Å; V242-V247 HydrophobicContact CG1-CG1 4.17Å; V242-F248 HydrophobicContact CG1-CB 4.4Å
243S87.1Confident90.5Very high118 Ų11884.3 Ų84.383%0.82545%0.446SS*.  trans-91.7-12.4179.3-58.20000114.4D241 P245D241-S243 PolarHBondContact O-N 3.37Å; S243-P245 WeakPolarHBondContact O-CD 3.26Å
244E93.6Very high90.4Very high117 Ų11782.7 Ų82.755%0.54744%0.44SS..  trans-82.2115.6-179.5-173.4175.2-172.800111.2V242 I246 V247 F248V242-E244 HydrophobicContact CG1-CB 4.33Å; E244-I246 PolarHBondContact O-N 3.1Å; E244-V247 HydrophobicContact CB-CB 4.36Å; E244-V247 HydrophobicContact CB-CG2 4.36Å; E244-V247 HydrophobicContact CG-CB 4.48Å; E244-V247 HydrophobicContact CG-CG2 4.08Å; E244-V247 PolarHBondContact O-N 2.83Å; E244-V247 WeakPolarHBondContact OE2-CG2 3.27Å; E244-F248 WeakPolarHBondContact O-CB 3.08Å; E244-F248 PolarHBondContact O-N 2.94Å
245P90Very high90.4Very high94 Ų9480.8 Ų80.861%0.6143%0.428SS*.Hα-helixtrans-62.6-36.7-169.4-26.635.7000115.3S243 L249S243-P245 WeakPolarHBondContact O-CD 3.26Å; P245-L249 WeakPolarHBondContact O-CB 3.32Å; P245-L249 VanDerWaalsContact O-CG 3.25Å; P245-L249 WeakPolarHBondContact O-CG 3.21Å; P245-L249 PolarHBondContact O-N 3.33Å; P245-L249 VanDerWaalsContact O-N 3.11Å
246I90.2Very high90.4Very high117 Ų11787.5 Ų87.560%0.645%0.452SS*.Hα-helixtrans-68.9-47.2-177.9-63.8175.9000110.4E244 L249 Q250E244-I246 PolarHBondContact O-N 3.1Å; I246-L249 PolarHBondContact O-N 2.99Å; I246-Q250 WeakPolarHBondContact O-CG 3.21Å; I246-Q250 PolarHBondContact O-N 3Å; I246-Q250 VanDerWaalsContact O-N 3.09Å
247V88.6Confident90.3Very high44 Ų4491.2 Ų91.227%0.26746%0.464SS..Hα-helixtrans-63.8-43.1179.5178.30000110.7V242 E244 L249 Q250 Q251V242-V247 HydrophobicContact CG1-CB 4.25Å; V242-V247 HydrophobicContact CG1-CG1 4.17Å; E244-V247 HydrophobicContact CB-CB 4.36Å; E244-V247 HydrophobicContact CB-CG2 4.36Å; E244-V247 HydrophobicContact CG-CB 4.48Å; E244-V247 HydrophobicContact CG-CG2 4.08Å; E244-V247 PolarHBondContact O-N 2.83Å; E244-V247 WeakPolarHBondContact OE2-CG2 3.27Å; V247-L249 PolarHBondContact O-N 3.05Å; V247-Q250 PolarHBondContact O-N 3.5Å; V247-Q251 HydrophobicContact CG1-CG 4.49Å; V247-Q251 WeakPolarHBondContact O-CG 3.14Å; V247-Q251 PolarHBondContact O-N 3.22Å
248F92.4Very high90.1Very high76 Ų7688.7 Ų88.733%0.33345%0.452SS..Hα-helixtrans-58.3-47.2175.3-177.6-86.1000112.1F239 V242 E244 Q250 Q251 M252F239-F248 AromaticContact CD2-CD2 3.76Å; F239-F248 HydrophobicContact CD2-CD2 3.76Å; F239-F248 AromaticContact CD2-CE2 3.6Å; F239-F248 HydrophobicContact CD2-CE2 3.6Å; F239-F248 HydrophobicContact CD2-CZ 4.29Å; F239-F248 HydrophobicContact CE2-CD2 4.35Å; F239-F248 AromaticContact CE2-CE2 3.8Å; F239-F248 HydrophobicContact CE2-CE2 3.8Å; F239-F248 HydrophobicContact CE2-CZ 4.06Å; V242-F248 HydrophobicContact CG1-CB 4.4Å; E244-F248 WeakPolarHBondContact O-CB 3.08Å; E244-F248 PolarHBondContact O-N 2.94Å; F248-Q250 PolarHBondContact O-N 3.21Å; F248-Q251 PolarHBondContact O-N 2.94Å; F248-M252 HydrophobicContact CE1-CB 4.32Å; F248-M252 HydrophobicContact CE1-CG 4.49Å; F248-M252 WeakPolarHBondContact O-CB 3.49Å; F248-M252 PolarHBondContact O-N 3.08Å
249L91Very high90.1Very high119 Ų11988 Ų8862%0.62344%0.439SS*.Hα-helixtrans-65.5-37.5-179-72171.8000112.5P245 I246 V247 Q253P245-L249 WeakPolarHBondContact O-CB 3.32Å; P245-L249 VanDerWaalsContact O-CG 3.25Å; P245-L249 WeakPolarHBondContact O-CG 3.21Å; P245-L249 PolarHBondContact O-N 3.33Å; P245-L249 VanDerWaalsContact O-N 3.11Å; I246-L249 PolarHBondContact O-N 2.99Å; V247-L249 PolarHBondContact O-N 3.05Å; L249-Q253 PolarHBondContact O-N 3.3Å; L249-Q253 VanDerWaalsContact O-N 3.1Å
250Q88.6Confident90.1Very high125 Ų12593.1 Ų93.158%0.58446%0.461SS*.Hα-helixtrans-64.6-49.5175.3-73.4176.8-30.600111.7I246 V247 F248 M252 Q253 E254I246-Q250 WeakPolarHBondContact O-CG 3.21Å; I246-Q250 PolarHBondContact O-N 3Å; I246-Q250 VanDerWaalsContact O-N 3.09Å; V247-Q250 PolarHBondContact O-N 3.5Å; F248-Q250 PolarHBondContact O-N 3.21Å; Q250-M252 PolarHBondContact O-N 3.43Å; Q250-Q253 PolarHBondContact O-N 3.25Å; Q250-E254 PolarHBondContact O-N 2.99Å; Q250-E254 VanDerWaalsContact O-N 3.11Å
251Q91.2Very high90Very high49 Ų4990.4 Ų90.423%0.22945%0.454CS..Hα-helixtrans-68.8-33.7-179.8-67.2-179.8-54.200112.4F239 V247 F248 Q253 E254 F255F239-Q251 HydrophobicContact CB-CB 3.78Å; F239-Q251 HydrophobicContact CB-CG 4.31Å; F239-Q251 HydrophobicContact CD1-CB 3.74Å; F239-Q251 HydrophobicContact CG-CB 3.82Å; V247-Q251 HydrophobicContact CG1-CG 4.49Å; V247-Q251 WeakPolarHBondContact O-CG 3.14Å; V247-Q251 PolarHBondContact O-N 3.22Å; F248-Q251 PolarHBondContact O-N 2.94Å; Q251-Q253 VanDerWaalsContact C-N 3.32Å; Q251-Q253 PolarHBondContact O-N 3.08Å; Q251-E254 PolarHBondContact O-N 3.01Å; Q251-F255 WeakPolarHBondContact O-CB 3.45Å; Q251-F255 PolarHBondContact O-N 3.19Å
252M91.9Very high90Very high47 Ų4785.5 Ų85.523%0.23243%0.428CS..Hα-helixtrans-66.4-34.1174-173.962-177.100112.1F239 F248 Q250 F255 R256F239-M252 HydrophobicContact CE2-CB 4.32Å; F239-M252 HydrophobicContact CE2-SD 3.88Å; F239-M252 HydrophobicContact CZ-CB 4.48Å; F239-M252 HydrophobicContact CZ-SD 3.69Å; F248-M252 HydrophobicContact CE1-CB 4.32Å; F248-M252 HydrophobicContact CE1-CG 4.49Å; F248-M252 WeakPolarHBondContact O-CB 3.49Å; F248-M252 PolarHBondContact O-N 3.08Å; Q250-M252 PolarHBondContact O-N 3.43Å; M252-F255 HydrophobicContact SD-CD1 4.26Å; M252-R256 HydrophobicContact CE-CG 4.4Å; M252-R256 WeakPolarHBondContact O-CB 3.36Å; M252-R256 VanDerWaalsContact O-CG 3.25Å; M252-R256 WeakPolarHBondContact O-CG 3.41Å; M252-R256 PolarHBondContact O-N 3.07Å
253Q90.6Very high89.7Confident115 Ų11591.4 Ų91.454%0.53745%0.45SS..Hα-helixtrans-67.2-48173.1-178.2175.9-15.400111L249 Q250 Q251 F255 R256 E257L249-Q253 PolarHBondContact O-N 3.3Å; L249-Q253 VanDerWaalsContact O-N 3.1Å; Q250-Q253 PolarHBondContact O-N 3.25Å; Q251-Q253 VanDerWaalsContact C-N 3.32Å; Q251-Q253 PolarHBondContact O-N 3.08Å; Q253-F255 VanDerWaalsContact C-N 3.32Å; Q253-F255 PolarHBondContact O-N 2.92Å; Q253-R256 WeakPolarHBondContact O-CB 3.46Å; Q253-R256 PolarHBondContact O-N 3.4Å; Q253-R256 VanDerWaalsContact O-N 3.15Å; Q253-E257 PolarHBondContact NE2-OE1 3.34Å; Q253-E257 VanDerWaalsContact NE2-OE1 3.14Å; Q253-E257 WeakPolarHBondContact O-CG 3.4Å; Q253-E257 PolarHBondContact O-N 3.11Å
254E90.1Very high89.5Confident97 Ų9792 Ų9245%0.45344%0.439SS..Hα-helixtrans-59.4-42.4177.2-166.4-176.8170.800111.7I235 Q250 Q251 R256 E257 K258I235-E254 HydrophobicContact CD1-CG 4.03Å; Q250-E254 PolarHBondContact O-N 2.99Å; Q250-E254 VanDerWaalsContact O-N 3.11Å; Q251-E254 PolarHBondContact O-N 3.01Å; E254-R256 PolarHBondContact O-N 3.44Å; E254-E257 PolarHBondContact O-N 3.01Å; E254-K258 WeakPolarHBondContact O-CG 2.88Å; E254-K258 PolarHBondContact O-N 2.81Å
255F92.2Very high88.6Confident49 Ų4988.8 Ų88.822%0.21543%0.428CS..Hα-helixtrans-61.7-42.9174.6179.7-117.3000112.6A232 I235 A236 F239 Q251 M252 Q253 E257 K258 I259A232-F255 HydrophobicContact CB-CD2 4.21Å; A232-F255 HydrophobicContact CB-CE2 4Å; A232-F255 VanDerWaalsContact O-CD2 3.28Å; A232-F255 WeakPolarHBondContact O-CD2 3.43Å; A232-F255 VanDerWaalsContact O-CE2 3.27Å; A232-F255 WeakPolarHBondContact O-CE2 3.39Å; I235-F255 HydrophobicContact CG2-CB 3.94Å; A236-F255 HydrophobicContact CB-CD2 4.01Å; A236-F255 HydrophobicContact CB-CE2 3.66Å; A236-F255 HydrophobicContact CB-CZ 3.99Å; F239-F255 HydrophobicContact CE1-CB 3.79Å; F239-F255 HydrophobicContact CE1-CD1 4.41Å; F239-F255 HydrophobicContact CE1-CG 4.06Å; F239-F255 HydrophobicContact CZ-CB 4.17Å; F239-F255 HydrophobicContact CZ-CD1 4.16Å; F239-F255 HydrophobicContact CZ-CG 4.27Å; Q251-F255 WeakPolarHBondContact O-CB 3.45Å; Q251-F255 PolarHBondContact O-N 3.19Å; M252-F255 HydrophobicContact SD-CD1 4.26Å; Q253-F255 VanDerWaalsContact C-N 3.32Å; Q253-F255 PolarHBondContact O-N 2.92Å; F255-E257 VanDerWaalsContact C-N 3.33Å; F255-E257 PolarHBondContact O-N 3.19Å; F255-K258 PolarHBondContact O-N 2.93Å; F255-I259 HydrophobicContact CD1-CG1 4.42Å; F255-I259 HydrophobicContact CD2-CG1 4.18Å; F255-I259 HydrophobicContact CE1-CG1 4.03Å; F255-I259 HydrophobicContact CE2-CD1 3.9Å; F255-I259 HydrophobicContact CE2-CG1 3.74Å; F255-I259 HydrophobicContact CG-CG1 4.5Å; F255-I259 HydrophobicContact CZ-CD1 3.82Å; F255-I259 HydrophobicContact CZ-CG1 3.67Å; F255-I259 VanDerWaalsContact O-CG1 3.31Å; F255-I259 WeakPolarHBondContact O-CG1 3.49Å; F255-I259 PolarHBondContact O-N 2.92Å
256R91.6Very high87.1Confident164 Ų16491.1 Ų91.162%0.61944%0.443SS*.Hα-helixtrans-62.5-40.3175.7-76.9170.7179.1167.63.4111.9M252 Q253 E254 I259 K260M252-R256 HydrophobicContact CE-CG 4.4Å; M252-R256 WeakPolarHBondContact O-CB 3.36Å; M252-R256 VanDerWaalsContact O-CG 3.25Å; M252-R256 WeakPolarHBondContact O-CG 3.41Å; M252-R256 PolarHBondContact O-N 3.07Å; Q253-R256 WeakPolarHBondContact O-CB 3.46Å; Q253-R256 PolarHBondContact O-N 3.4Å; Q253-R256 VanDerWaalsContact O-N 3.15Å; E254-R256 PolarHBondContact O-N 3.44Å; R256-I259 PolarHBondContact O-N 3.03Å; R256-K260 WeakPolarHBondContact O-CB 3.38Å; R256-K260 PolarHBondContact O-N 3.26Å
257E89Confident87Confident106 Ų10689.8 Ų89.850%0.49544%0.435SS..Hα-helixtrans-62.6-44.8176.3-72.3172.7-170.300111Q253 E254 F255 K260 V261Q253-E257 PolarHBondContact NE2-OE1 3.34Å; Q253-E257 VanDerWaalsContact NE2-OE1 3.14Å; Q253-E257 WeakPolarHBondContact O-CG 3.4Å; Q253-E257 PolarHBondContact O-N 3.11Å; E254-E257 PolarHBondContact O-N 3.01Å; F255-E257 VanDerWaalsContact C-N 3.33Å; F255-E257 PolarHBondContact O-N 3.19Å; E257-K260 WeakPolarHBondContact O-CB 3.3Å; E257-K260 PolarHBondContact O-N 2.95Å; E257-V261 WeakPolarHBondContact O-CG2 3.4Å; E257-V261 PolarHBondContact O-N 3.07Å
258K87.8Confident86.9Confident47 Ų4792.2 Ų92.220%0.20444%0.444CS..Hα-helixtrans-62.9-44.1175-69.3-65.2-171.6179.30113.3E228 A232 I235 E254 F255 K260 V261 I262E228-K258 IonicContact OE1-NZ 3.58Å; E228-K258 PolarHBondContact OE1-NZ 2.8Å; E228-K258 WeakPolarHBondContact OE2-CD 3.49Å; E228-K258 WeakPolarHBondContact OE2-CE 3.44Å; E228-K258 IonicContact OE2-NZ 2.84Å; E228-K258 PolarHBondContact OE2-NZ 2.93Å; A232-K258 HydrophobicContact CB-CB 3.95Å; I235-K258 HydrophobicContact CD1-CG 3.94Å; E254-K258 WeakPolarHBondContact O-CG 2.88Å; E254-K258 PolarHBondContact O-N 2.81Å; F255-K258 PolarHBondContact O-N 2.93Å; K258-K260 VanDerWaalsContact C-N 3.27Å; K258-K260 PolarHBondContact O-N 3.46Å; K258-V261 PolarHBondContact O-N 3.46Å; K258-I262 WeakPolarHBondContact O-CD1 3.34Å; K258-I262 WeakPolarHBondContact O-CG1 3.42Å; K258-I262 PolarHBondContact O-N 2.92Å; K258-I262 VanDerWaalsContact O-N 3.09Å
259I89.5Confident86.6Confident52 Ų5293.1 Ų93.127%0.26745%0.45SS..Hα-helixtrans-62.9-35.4175.1-69-68.9000111.6A232 F255 R256 K263A232-I259 HydrophobicContact CB-CD1 4.36Å; F255-I259 HydrophobicContact CD1-CG1 4.42Å; F255-I259 HydrophobicContact CD2-CG1 4.18Å; F255-I259 HydrophobicContact CE1-CG1 4.03Å; F255-I259 HydrophobicContact CE2-CD1 3.9Å; F255-I259 HydrophobicContact CE2-CG1 3.74Å; F255-I259 HydrophobicContact CG-CG1 4.5Å; F255-I259 HydrophobicContact CZ-CD1 3.82Å; F255-I259 HydrophobicContact CZ-CG1 3.67Å; F255-I259 VanDerWaalsContact O-CG1 3.31Å; F255-I259 WeakPolarHBondContact O-CG1 3.49Å; F255-I259 PolarHBondContact O-N 2.92Å; R256-I259 PolarHBondContact O-N 3.03Å; I259-K263 HydrophobicContact CG2-CD 4.04Å; I259-K263 WeakPolarHBondContact O-CB 3.43Å; I259-K263 VanDerWaalsContact O-CG 3.32Å; I259-K263 WeakPolarHBondContact O-CG 3.42Å; I259-K263 PolarHBondContact O-N 3.41Å; I259-K263 VanDerWaalsContact O-N 3.12Å
260K88.9Confident86.3Confident119 Ų11991.6 Ų91.652%0.51744%0.44SS..Hα-helixtrans-65-47.7175.9-174-178.8175.5-172.90111.2R256 E257 K258 I262 K263 E264R256-K260 WeakPolarHBondContact O-CB 3.38Å; R256-K260 PolarHBondContact O-N 3.26Å; E257-K260 WeakPolarHBondContact O-CB 3.3Å; E257-K260 PolarHBondContact O-N 2.95Å; K258-K260 VanDerWaalsContact C-N 3.27Å; K258-K260 PolarHBondContact O-N 3.46Å; K260-I262 VanDerWaalsContact C-N 3.33Å; K260-I262 PolarHBondContact O-N 3.08Å; K260-K263 PolarHBondContact O-N 3.24Å; K260-K263 VanDerWaalsContact O-N 3.14Å; K260-E264 VanDerWaalsContact CE-CD 3.43Å; K260-E264 WeakPolarHBondContact CE-OE1 3.21Å; K260-E264 WeakPolarHBondContact CE-OE2 3.45Å; K260-E264 HydrophobicContact CG-CG 4.29Å; K260-E264 WeakPolarHBondContact CG-OE1 3.48Å; K260-E264 IonicContact NZ-OE1 3.98Å; K260-E264 WeakPolarHBondContact O-CB 3.14Å; K260-E264 WeakPolarHBondContact O-CG 3.33Å; K260-E264 PolarHBondContact O-N 2.62Å
261V87.1Confident86.2Confident67 Ų6789.5 Ų89.541%0.40643%0.431SS..Hα-helixtrans-57.8-43.6176.6173.30000111.6E228 E257 K258 K263 E264 T265E228-V261 HydrophobicContact CG-CG1 4.4Å; E257-V261 WeakPolarHBondContact O-CG2 3.4Å; E257-V261 PolarHBondContact O-N 3.07Å; K258-V261 PolarHBondContact O-N 3.46Å; V261-K263 VanDerWaalsContact C-N 3.34Å; V261-K263 PolarHBondContact O-N 3.31Å; V261-E264 PolarHBondContact O-N 3.48Å; V261-T265 PolarHBondContact O-N 3.37Å; V261-T265 PolarHBondContact O-OG1 3.29Å
262I88.3Confident85.8Confident29 Ų2992.2 Ų92.215%0.14944%0.444CS..Hα-helixtrans-63.1-38.8177.7-65.2159000111.9I225 E228 Q229 A232 K258 K260I225-I262 HydrophobicContact CG2-CG2 4.41Å; E228-I262 HydrophobicContact CB-CD1 4.25Å; E228-I262 HydrophobicContact CB-CG1 3.73Å; Q229-I262 HydrophobicContact CB-CD1 4.37Å; Q229-I262 HydrophobicContact CG-CD1 3.86Å; Q229-I262 HydrophobicContact CG-CG1 4.23Å; Q229-I262 HydrophobicContact CG-CG2 4Å; A232-I262 HydrophobicContact CB-CD1 3.94Å; K258-I262 WeakPolarHBondContact O-CD1 3.34Å; K258-I262 WeakPolarHBondContact O-CG1 3.42Å; K258-I262 PolarHBondContact O-N 2.92Å; K258-I262 VanDerWaalsContact O-N 3.09Å; K260-I262 VanDerWaalsContact C-N 3.33Å; K260-I262 PolarHBondContact O-N 3.08Å
263K83.7Confident85.4Confident169 Ų16995.4 Ų95.474%0.73546%0.46SS*.Hα-helixtrans-77.6-28-178.8-74.5178178.2-178.20113.7I259 K260 V261I259-K263 HydrophobicContact CG2-CD 4.04Å; I259-K263 WeakPolarHBondContact O-CB 3.43Å; I259-K263 VanDerWaalsContact O-CG 3.32Å; I259-K263 WeakPolarHBondContact O-CG 3.42Å; I259-K263 PolarHBondContact O-N 3.41Å; I259-K263 VanDerWaalsContact O-N 3.12Å; K260-K263 PolarHBondContact O-N 3.24Å; K260-K263 VanDerWaalsContact O-N 3.14Å; V261-K263 VanDerWaalsContact C-N 3.34Å; V261-K263 PolarHBondContact O-N 3.31Å
264E83.5Confident85Confident129 Ų12993.9 Ų93.960%0.60345%0.454SS*.Hα-helixtrans-91.3-14.6-178.6-70.2178.3170.200112.8K260 V261 P266K260-E264 VanDerWaalsContact CE-CD 3.43Å; K260-E264 WeakPolarHBondContact CE-OE1 3.21Å; K260-E264 WeakPolarHBondContact CE-OE2 3.45Å; K260-E264 HydrophobicContact CG-CG 4.29Å; K260-E264 WeakPolarHBondContact CG-OE1 3.48Å; K260-E264 IonicContact NZ-OE1 3.98Å; K260-E264 WeakPolarHBondContact O-CB 3.14Å; K260-E264 WeakPolarHBondContact O-CG 3.33Å; K260-E264 PolarHBondContact O-N 2.62Å; V261-E264 PolarHBondContact O-N 3.48Å; E264-P266 VanDerWaalsContact O-CD 3.29Å; E264-P266 WeakPolarHBondContact O-CD 3.43Å
265T75.1Confident84.6Confident50 Ų5093.7 Ų93.731%0.30745%0.454SS..  trans-76113.4168.4-49.50000107.6I225 V261I225-T265 HydrophobicContact CD1-CG2 3.97Å; I225-T265 HydrophobicContact CG1-CG2 3.89Å; V261-T265 PolarHBondContact O-N 3.37Å; V261-T265 PolarHBondContact O-OG1 3.29Å
266P58.3Low83.9Confident143 Ų14397.7 Ų97.793%0.92948%0.475SS*.  trans-69.30-17729.5-35000112K221 E264K221-P266 WeakPolarHBondContact CE-O 3.28Å; K221-P266 PolarHBondContact NZ-O 3.05Å; K221-P266 PolarHBondContact NZ-OXT 3.24Å; E264-P266 VanDerWaalsContact O-CD 3.29Å; E264-P266 WeakPolarHBondContact O-CD 3.43Å

Retrieved 266 of 266 residues in 75.4 ms (Link to these results)

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