A0A087YNR4_POEFO Loading...

Flap endonuclease GEN homolog 1

AlphaFold DB , UniProt , Accession A0A087YNR4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 462 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
1M68.8Low89.9Confident131 Ų13144.5 Ų44.565%0.64523%0.231SC*.  0148.90-64.2-61.2-67.300106.6D159M1-D159 VanDerWaalsContact CB-OD2 3.25Å; M1-D159 WeakPolarHBondContact CB-OD2 3.49Å
2G83.3Confident90.4Very high6 Ų648.3 Ų48.36%0.06226%0.261CS..  trans83.2-157.8-172.500000114.9D159 D161G2-D159 WeakPolarHBondContact CA-OD1 3.37Å; G2-D159 PolarHBondContact N-OD1 3.05Å; G2-D161 WeakPolarHBondContact CA-OD1 3.49Å
3V89.8Confident90.9Very high9 Ų944.5 Ų44.56%0.05524%0.241CC..SBendtrans-60.3134-174-1750000114L6 D161 L164 A206 C211V3-L6 HydrophobicContact CB-CB 3.7Å; V3-L6 HydrophobicContact CB-CD2 3.82Å; V3-L6 HydrophobicContact CB-CG 4.36Å; V3-L6 HydrophobicContact CG1-CB 3.92Å; V3-L6 HydrophobicContact CG2-CD2 3.98Å; V3-L6 PolarHBondContact O-N 2.92Å; V3-D161 PolarHBondContact N-OD1 3Å; V3-L164 HydrophobicContact CG2-CD1 3.94Å; V3-L164 HydrophobicContact CG2-CD2 3.65Å; V3-L164 HydrophobicContact CG2-CG 4.46Å; V3-A206 HydrophobicContact CB-CB 4.36Å; V3-A206 HydrophobicContact CG1-CB 3.93Å; V3-A206 HydrophobicContact CG2-CB 3.5Å; V3-A206 VanDerWaalsContact CG2-CB 3.5Å; V3-C211 HydrophobicContact CB-CB 4.48Å; V3-C211 HydrophobicContact CG2-CB 4.01Å
4H90.6Very high91.3Very high81 Ų8149.6 Ų49.638%0.37526%0.255SS..THydrogen-bonded Turntrans-62135175-68.7-52.7000112L6 L209 G210 P215H4-L6 PolarHBondContact O-N 2.92Å; H4-L209 HydrophobicContact CB-CB 4.31Å; H4-L209 PolarHBondContact CD2-O 2.74Å; H4-L209 WeakPolarHBondContact O-CD1 3.25Å; H4-G210 PolarHBondContact CD2-O 2.85Å; H4-G210 PolarHBondContact N-O 2.87Å; H4-P215 PolarHBondContact NE2-O 2.93Å; H4-P215 VanDerWaalsContact NE2-O 3.15Å
5D91.4Very high91.6Very high86 Ų8652.2 Ų52.246%0.4627%0.265SS..THydrogen-bonded Turntrans58.31.4-178.7-60.3-28.4000117.1W7 S8 I9D5-W7 PolarHBondContact O-N 3.48Å; D5-S8 PolarHBondContact O-N 3.41Å; D5-S8 VanDerWaalsContact O-N 3.11Å; D5-I9 WeakPolarHBondContact O-CG1 3.43Å; D5-I9 PolarHBondContact O-N 3.19Å; D5-I9 VanDerWaalsContact O-N 3.14Å
6L93.7Very high91.8Very high2 Ų252.6 Ų52.61%0.0128%0.278CS..Hα-helixtrans-58-47-176.1175.762.4000112.5V3 H4 S8 I9 V10 F163 L164 L202V3-L6 HydrophobicContact CB-CB 3.7Å; V3-L6 HydrophobicContact CB-CD2 3.82Å; V3-L6 HydrophobicContact CB-CG 4.36Å; V3-L6 HydrophobicContact CG1-CB 3.92Å; V3-L6 HydrophobicContact CG2-CD2 3.98Å; V3-L6 PolarHBondContact O-N 2.92Å; H4-L6 PolarHBondContact O-N 2.92Å; L6-S8 VanDerWaalsContact C-N 3.26Å; L6-S8 PolarHBondContact O-N 3.39Å; L6-I9 WeakPolarHBondContact O-CA 3.35Å; L6-I9 WeakPolarHBondContact O-CB 3.42Å; L6-I9 PolarHBondContact O-N 3.28Å; L6-V10 HydrophobicContact CD1-CG1 4.05Å; L6-V10 WeakPolarHBondContact O-CG2 3.07Å; L6-V10 PolarHBondContact O-N 3.13Å; L6-F163 HydrophobicContact CD2-CD2 4.36Å; L6-L164 HydrophobicContact CD2-CD1 4.15Å; L6-L202 HydrophobicContact CD1-CD2 3.88Å
7W94.1Very high91.9Very high31 Ų3150.4 Ų50.412%0.11727%0.268CS..Hα-helixtrans-58.9-37.6178.8-68.7118.2000112.6D5 I9 V10 E11 G160 F163 V170 R172 Y186D5-W7 PolarHBondContact O-N 3.48Å; W7-I9 VanDerWaalsContact C-N 3.26Å; W7-I9 PolarHBondContact O-N 3.45Å; W7-V10 HydrophobicContact CE3-CG2 3.69Å; W7-V10 HydrophobicContact CZ3-CG2 4.14Å; W7-V10 PolarHBondContact O-N 3.4Å; W7-E11 WeakPolarHBondContact O-CB 3.03Å; W7-E11 PolarHBondContact O-N 3.48Å; W7-G160 VanDerWaalsContact CZ2-CA 3.44Å; W7-F163 AromaticContact CH2-CE2 3.61Å; W7-F163 HydrophobicContact CH2-CE2 3.61Å; W7-F163 HydrophobicContact CH2-CZ 4.34Å; W7-F163 AromaticContact CZ3-CE2 3.6Å; W7-F163 HydrophobicContact CZ3-CE2 3.6Å; W7-F163 HydrophobicContact CZ3-CZ 4.15Å; W7-V170 HydrophobicContact CH2-CG1 4.16Å; W7-R172 VanDerWaalsContact CE2-CD 3.49Å; W7-R172 HydrophobicContact CH2-CB 4.3Å; W7-R172 HydrophobicContact CH2-CG 4.39Å; W7-R172 VanDerWaalsContact CZ2-CD 3.42Å; W7-R172 HydrophobicContact CZ3-CB 4.48Å; W7-R172 VanDerWaalsContact CZ3-CD 3.41Å; W7-Y186 HydrophobicContact CE3-CE1 4.41Å; W7-Y186 HydrophobicContact CZ3-CD1 4.48Å; W7-Y186 HydrophobicContact CZ3-CD2 4.13Å; W7-Y186 HydrophobicContact CZ3-CE1 4.34Å; W7-Y186 HydrophobicContact CZ3-CE2 4.01Å; W7-Y186 HydrophobicContact CZ3-CG 4.38Å
8S93.5Very high92Very high62 Ų6249.6 Ų49.643%0.43427%0.266SS..Hα-helixtrans-71.8-21175.9-54.40000113.4D5 L6 R223D5-S8 PolarHBondContact O-N 3.41Å; D5-S8 VanDerWaalsContact O-N 3.11Å; L6-S8 VanDerWaalsContact C-N 3.26Å; L6-S8 PolarHBondContact O-N 3.39Å; S8-R223 VanDerWaalsContact CB-NH1 3.28Å; S8-R223 PolarHBondContact O-NH2 3.03Å
9I93.4Very high92Very high11 Ų1147 Ų476%0.05625%0.252CS..Hα-helixtrans-79.6-42.3173.9-65.3167.8000110.2D5 L6 W7 P12 L195 L197 L209 R223 L227D5-I9 WeakPolarHBondContact O-CG1 3.43Å; D5-I9 PolarHBondContact O-N 3.19Å; D5-I9 VanDerWaalsContact O-N 3.14Å; L6-I9 WeakPolarHBondContact O-CA 3.35Å; L6-I9 WeakPolarHBondContact O-CB 3.42Å; L6-I9 PolarHBondContact O-N 3.28Å; W7-I9 VanDerWaalsContact C-N 3.26Å; W7-I9 PolarHBondContact O-N 3.45Å; I9-P12 VanDerWaalsContact O-CD 3.27Å; I9-P12 WeakPolarHBondContact O-CD 3.37Å; I9-L195 WeakPolarHBondContact O-CD1 3.34Å; I9-L197 HydrophobicContact CG2-CD1 3.59Å; I9-L209 HydrophobicContact CD1-CD1 3.91Å; I9-R223 HydrophobicContact CD1-CG 4.23Å; I9-R223 HydrophobicContact CG1-CG 4.23Å; I9-L227 HydrophobicContact CD1-CD2 4.49Å; I9-L227 HydrophobicContact CG1-CD1 4.43Å; I9-L227 HydrophobicContact CG2-CD2 4.27Å
10V95.3Very high91.8Very high1 Ų152.3 Ų52.31%0.00627%0.269CS..Hα-helixtrans-87.7-7.7-178.7-57.80000114.3L6 W7 P12 V13 Y186 V191 L195L6-V10 HydrophobicContact CD1-CG1 4.05Å; L6-V10 WeakPolarHBondContact O-CG2 3.07Å; L6-V10 PolarHBondContact O-N 3.13Å; W7-V10 HydrophobicContact CE3-CG2 3.69Å; W7-V10 HydrophobicContact CZ3-CG2 4.14Å; W7-V10 PolarHBondContact O-N 3.4Å; V10-P12 VanDerWaalsContact C-N 3.29Å; V10-P12 VanDerWaalsContact O-N 3.16Å; V10-V13 HydrophobicContact CB-CG2 4.32Å; V10-V13 WeakPolarHBondContact O-CG2 3.29Å; V10-V13 PolarHBondContact O-N 2.88Å; V10-Y186 HydrophobicContact CB-CD1 4.35Å; V10-Y186 HydrophobicContact CB-CE1 4.49Å; V10-Y186 HydrophobicContact CG2-CD1 4.01Å; V10-Y186 HydrophobicContact CG2-CE1 3.91Å; V10-V191 HydrophobicContact CG1-CG1 4.41Å; V10-V191 HydrophobicContact CG1-CG2 4.37Å; V10-L195 HydrophobicContact CB-CD1 4.46Å; V10-L195 HydrophobicContact CG1-CD1 4.39Å
11E95.5Very high91.9Very high69 Ų6952.7 Ų52.732%0.32228%0.277SS..G310 helixtrans-47.7-40.1177.3-169.968.2-164.800114.5W7 V13 R14W7-E11 WeakPolarHBondContact O-CB 3.03Å; W7-E11 PolarHBondContact O-N 3.48Å; E11-V13 PolarHBondContact O-N 3.18Å; E11-V13 VanDerWaalsContact O-N 3.15Å; E11-R14 WeakPolarHBondContact O-CB 3.12Å; E11-R14 PolarHBondContact O-N 3.46Å; E11-R14 IonicContact OE1-CZ 3.98Å; E11-R14 IonicContact OE1-NE 3.42Å; E11-R14 IonicContact OE1-NH1 3.95Å; E11-R14 PolarHBondContact OE1-NH1 2.68Å; E11-R14 IonicContact OE1-NH2 3.09Å
12P96.1Very high93.1Very high90 Ų9046.6 Ų46.658%0.58425%0.247SC*.G310 helixtrans-62.3-23.3-179.2-23.635.3000114.6I9 V10 L195I9-P12 VanDerWaalsContact O-CD 3.27Å; I9-P12 WeakPolarHBondContact O-CD 3.37Å; V10-P12 VanDerWaalsContact C-N 3.29Å; V10-P12 VanDerWaalsContact O-N 3.16Å; P12-L195 HydrophobicContact CB-CD2 4.3Å; P12-L195 HydrophobicContact CG-CD2 4.4Å
13V96.1Very high93.6Very high0 Ų049.8 Ų49.80%027%0.268CS..G310 helixtrans-94.12.8178.2-58.30000113.1V10 E11 E15 Y186 R190 V191 E194 L195V10-V13 HydrophobicContact CB-CG2 4.32Å; V10-V13 WeakPolarHBondContact O-CG2 3.29Å; V10-V13 PolarHBondContact O-N 2.88Å; E11-V13 PolarHBondContact O-N 3.18Å; E11-V13 VanDerWaalsContact O-N 3.15Å; V13-E15 PolarHBondContact O-N 3.18Å; V13-Y186 HydrophobicContact CG2-CD1 4.19Å; V13-R190 HydrophobicContact CB-CB 4.25Å; V13-R190 HydrophobicContact CG1-CB 4.3Å; V13-R190 PolarHBondContact O-NH1 3.21Å; V13-V191 HydrophobicContact CG2-CG2 3.71Å; V13-E194 HydrophobicContact CG1-CB 3.99Å; V13-L195 HydrophobicContact CG1-CD1 3.83Å; V13-L195 HydrophobicContact CG1-CD2 4.25Å; V13-L195 HydrophobicContact CG1-CG 3.76Å; V13-L195 HydrophobicContact CG2-CD1 4.21Å
14R96.3Very high93.8Very high116 Ų11651.3 Ų51.344%0.43829%0.286SS..  trans-61.7132.7178.6-176.7-16873.6-170.9-3.8110.9E11 D184 Y186E11-R14 WeakPolarHBondContact O-CB 3.12Å; E11-R14 PolarHBondContact O-N 3.46Å; E11-R14 IonicContact OE1-CZ 3.98Å; E11-R14 IonicContact OE1-NE 3.42Å; E11-R14 IonicContact OE1-NH1 3.95Å; E11-R14 PolarHBondContact OE1-NH1 2.68Å; E11-R14 IonicContact OE1-NH2 3.09Å; R14-D184 HydrophobicContact CG-CB 3.96Å; R14-Y186 HydrophobicContact CB-CE1 3.73Å; R14-Y186 HydrophobicContact CG-CE1 4.16Å; R14-Y186 HydrophobicContact CG-CE2 4.25Å; R14-Y186 WeakPolarHBondContact CG-OH 3.25Å
15E96.3Very high94.1Very high88 Ų8850.9 Ų50.941%0.41128%0.283SS..EExtended strand (participates in β ladder)trans-120.6121.9169.9-172.3-179.5170.800110V13 V17 C185 R190V13-E15 PolarHBondContact O-N 3.18Å; E15-V17 HydrophobicContact CB-CG2 4.43Å; E15-V17 HydrophobicContact CG-CG2 3.98Å; E15-V17 PolarHBondContact O-N 2.95Å; E15-C185 HydrophobicContact CB-CB 4.39Å; E15-C185 PolarHBondContact N-O 2.7Å; E15-C185 PolarHBondContact O-N 2.86Å; E15-R190 IonicContact OE2-NH1 2.89Å
16A94.9Very high94.3Very high58 Ų5848 Ų4848%0.47927%0.268SS..EExtended strand (participates in β ladder)trans-78.4117.5174.400000109.3
17V94.4Very high94.5Very high16 Ų1648 Ų4810%0.09727%0.268CS..EExtended strand (participates in β ladder)trans-118.4126.7-173.31780000109.7E15 S21 L22 Q182 V183 C185E15-V17 HydrophobicContact CB-CG2 4.43Å; E15-V17 HydrophobicContact CG-CG2 3.98Å; E15-V17 PolarHBondContact O-N 2.95Å; V17-S21 WeakPolarHBondContact CG1-OG 3.21Å; V17-L22 HydrophobicContact CG1-CD2 3.98Å; V17-Q182 CarbonylContact O-C 3.1Å; V17-Q182 WeakPolarHBondContact O-CA 3.49Å; V17-V183 HydrophobicContact CB-CG1 4.46Å; V17-V183 PolarHBondContact N-O 3.23Å; V17-V183 PolarHBondContact O-N 3.29Å; V17-C185 HydrophobicContact CB-CB 4.31Å; V17-C185 HydrophobicContact CG2-CB 3.51Å
18P92.7Very high94.7Very high35 Ų3546.5 Ų46.523%0.22726%0.262CS..EExtended strand (participates in β ladder)trans-71.2140.8176.426.5-31.3000111.4Y20 S21 P181P18-Y20 VanDerWaalsContact C-N 3.26Å; P18-Y20 HydrophobicContact CB-CD1 3.84Å; P18-Y20 HydrophobicContact CB-CD2 4.39Å; P18-Y20 HydrophobicContact CB-CE1 3.3Å; P18-Y20 HydrophobicContact CB-CE2 3.9Å; P18-Y20 HydrophobicContact CB-CG 4.36Å; P18-Y20 HydrophobicContact CG-CD2 4.38Å; P18-Y20 HydrophobicContact CG-CE1 4.01Å; P18-Y20 HydrophobicContact CG-CE2 3.67Å; P18-Y20 VanDerWaalsContact CG-CZ 3.45Å; P18-Y20 WeakPolarHBondContact CG-OH 3.26Å; P18-Y20 PolarHBondContact O-N 3.46Å; P18-Y20 VanDerWaalsContact O-N 3.16Å; P18-S21 WeakPolarHBondContact O-CB 3.37Å; P18-S21 PolarHBondContact O-N 3.39Å; P18-S21 PolarHBondContact O-OG 3.36Å; P18-P181 WeakPolarHBondContact CA-O 3.24Å
19L92.2Very high94.9Very high1 Ų143.5 Ų43.51%0.00524%0.242CC..G310 helixtrans-59.7-32.9-173.4-68.2-173.4000113.7S21 L22 L63 M66 F174 M176 P181 V183L19-S21 PolarHBondContact O-N 2.87Å; L19-L22 HydrophobicContact CD2-CD1 4.03Å; L19-L22 WeakPolarHBondContact O-CB 3.27Å; L19-L22 PolarHBondContact O-N 3.1Å; L19-L22 VanDerWaalsContact O-N 3.12Å; L19-L63 HydrophobicContact CD1-CD2 4.39Å; L19-M66 HydrophobicContact CB-SD 3.71Å; L19-M66 HydrophobicContact CD1-SD 4.45Å; L19-F174 HydrophobicContact CD1-CD2 4.45Å; L19-F174 HydrophobicContact CD1-CE2 3.57Å; L19-F174 HydrophobicContact CD1-CZ 3.87Å; L19-F174 HydrophobicContact CD2-CD2 4.05Å; L19-F174 HydrophobicContact CD2-CE2 3.71Å; L19-F174 HydrophobicContact CG-CE2 4.34Å; L19-M176 HydrophobicContact CD1-CG 4.35Å; L19-P181 HydrophobicContact CB-CB 4.25Å; L19-P181 HydrophobicContact CD1-CB 3.83Å; L19-P181 HydrophobicContact CG-CB 4.06Å; L19-P181 PolarHBondContact N-O 2.76Å; L19-V183 HydrophobicContact CD2-CB 3.87Å; L19-V183 HydrophobicContact CD2-CG1 3.84Å
20Y88.8Confident95Very high153 Ų15343.4 Ų43.460%0.624%0.241SC*.G310 helixtrans-64.9-25.3178.956.1-102.9000113.2P18 L22 S23P18-Y20 VanDerWaalsContact C-N 3.26Å; P18-Y20 HydrophobicContact CB-CD1 3.84Å; P18-Y20 HydrophobicContact CB-CD2 4.39Å; P18-Y20 HydrophobicContact CB-CE1 3.3Å; P18-Y20 HydrophobicContact CB-CE2 3.9Å; P18-Y20 HydrophobicContact CB-CG 4.36Å; P18-Y20 HydrophobicContact CG-CD2 4.38Å; P18-Y20 HydrophobicContact CG-CE1 4.01Å; P18-Y20 HydrophobicContact CG-CE2 3.67Å; P18-Y20 VanDerWaalsContact CG-CZ 3.45Å; P18-Y20 WeakPolarHBondContact CG-OH 3.26Å; P18-Y20 PolarHBondContact O-N 3.46Å; P18-Y20 VanDerWaalsContact O-N 3.16Å; Y20-L22 PolarHBondContact O-N 2.83Å; Y20-S23 WeakPolarHBondContact O-CB 3.43Å; Y20-S23 PolarHBondContact O-N 2.86Å
21S92.6Very high94.9Very high61 Ų6143.4 Ų43.443%0.42724%0.241SC..G310 helixtrans-73.2-10.1176.971.80000113.2V17 P18 L19 S23V17-S21 WeakPolarHBondContact CG1-OG 3.21Å; P18-S21 WeakPolarHBondContact O-CB 3.37Å; P18-S21 PolarHBondContact O-N 3.39Å; P18-S21 PolarHBondContact O-OG 3.36Å; L19-S21 PolarHBondContact O-N 2.87Å; S21-S23 VanDerWaalsContact C-N 3.26Å
22L95.2Very high94.6Very high2 Ų240.5 Ų40.51%0.0123%0.228CC..G310 helixtrans-85.81.7175.8-52.5176.8000112.4V17 L19 Y20 G24 K25 L27 V68 Y171 V183V17-L22 HydrophobicContact CG1-CD2 3.98Å; L19-L22 HydrophobicContact CD2-CD1 4.03Å; L19-L22 WeakPolarHBondContact O-CB 3.27Å; L19-L22 PolarHBondContact O-N 3.1Å; L19-L22 VanDerWaalsContact O-N 3.12Å; Y20-L22 PolarHBondContact O-N 2.83Å; L22-G24 PolarHBondContact O-N 3.38Å; L22-K25 HydrophobicContact CD2-CD 4.11Å; L22-K25 VanDerWaalsContact O-CB 3.26Å; L22-K25 WeakPolarHBondContact O-CB 3.5Å; L22-K25 PolarHBondContact O-N 3.48Å; L22-L27 HydrophobicContact CD1-CD1 4.05Å; L22-V68 HydrophobicContact CB-CG2 3.86Å; L22-Y171 HydrophobicContact CD1-CE1 4.49Å; L22-Y171 HydrophobicContact CD2-CE1 3.76Å; L22-V183 HydrophobicContact CD1-CG1 3.9Å
23S93.8Very high94.2Very high74 Ų7437.8 Ų37.852%0.51721%0.209SC..THydrogen-bonded Turntrans-52.4132.5177.2-174.60000111.5Y20 S21 K25 M66Y20-S23 WeakPolarHBondContact O-CB 3.43Å; Y20-S23 PolarHBondContact O-N 2.86Å; S21-S23 VanDerWaalsContact C-N 3.26Å; S23-K25 VanDerWaalsContact C-N 3.28Å; S23-K25 PolarHBondContact O-N 2.56Å; S23-M66 WeakPolarHBondContact CA-O 3.24Å; S23-M66 WeakPolarHBondContact CB-O 3.38Å; S23-M66 PolarHBondContact OG-O 2.75Å
24G93.1Very high93.9Very high41 Ų4138.5 Ų38.542%0.42321%0.211SC..THydrogen-bonded Turntrans88.4-21.5-177.300000114.8L22 G67L22-G24 PolarHBondContact O-N 3.38Å; G24-G67 PolarHBondContact N-O 3.2Å
25K96.5Very high93.5Very high72 Ų7233.1 Ų33.131%0.31319%0.191SC..  trans-73.2152.3177.9-60.6-169.6180-171.80112.2L22 S23 L27 K69 D153 Y171L22-K25 HydrophobicContact CD2-CD 4.11Å; L22-K25 VanDerWaalsContact O-CB 3.26Å; L22-K25 WeakPolarHBondContact O-CB 3.5Å; L22-K25 PolarHBondContact O-N 3.48Å; S23-K25 VanDerWaalsContact C-N 3.28Å; S23-K25 PolarHBondContact O-N 2.56Å; K25-L27 HydrophobicContact CB-CD2 4.33Å; K25-K69 PolarHBondContact O-N 2.69Å; K25-D153 VanDerWaalsContact CA-OD2 3.29Å; K25-D153 WeakPolarHBondContact CA-OD2 3.42Å; K25-D153 HydrophobicContact CB-CB 4.14Å; K25-D153 HydrophobicContact CD-CB 4.39Å; K25-D153 HydrophobicContact CG-CB 4.39Å; K25-Y171 PolarHBondContact NZ-OH 3.09Å
26T96.9Very high93Very high26 Ų2631.1 Ų31.116%0.1619%0.187CC..EExtended strand (participates in β ladder)trans-106.3122.7170.6-48.10000108.9K69 V71 V152 D153T26-K69 CarbonylContact C-O 3.58Å; T26-K69 VanDerWaalsContact CA-O 3.28Å; T26-K69 WeakPolarHBondContact CA-O 3.26Å; T26-K69 HydrophobicContact CG2-CB 4Å; T26-V71 HydrophobicContact CG2-CG2 4.07Å; T26-V152 HydrophobicContact CG2-CB 4.42Å; T26-V152 HydrophobicContact CG2-CG1 3.96Å; T26-V152 CarbonylContact O-C 3.59Å; T26-V152 WeakPolarHBondContact O-CB 3.28Å; T26-D153 PolarHBondContact N-OD2 2.93Å; T26-D153 PolarHBondContact O-N 2.89Å
27L97.7Very high92.5Very high0 Ų031.9 Ų31.90%018%0.18CC..EExtended strand (participates in β ladder)trans-119.7132-176.9-56.6-178.9000110.8L22 K25 V68 K69 L70 V71 G154 I156 Y171L22-L27 HydrophobicContact CD1-CD1 4.05Å; K25-L27 HydrophobicContact CB-CD2 4.33Å; L27-V68 HydrophobicContact CB-CG1 4.45Å; L27-V68 HydrophobicContact CD1-CG1 3.69Å; L27-V68 HydrophobicContact CG-CG1 3.89Å; L27-K69 PolarHBondContact N-O 3.33Å; L27-L70 HydrophobicContact CB-CD2 4.38Å; L27-L70 WeakPolarHBondContact O-CA 3.47Å; L27-V71 PolarHBondContact O-N 3.27Å; L27-G154 WeakPolarHBondContact CA-O 3.21Å; L27-I156 HydrophobicContact CB-CD1 4.07Å; L27-I156 HydrophobicContact CB-CG1 4.37Å; L27-I156 HydrophobicContact CD1-CD1 3.65Å; L27-I156 HydrophobicContact CD1-CG1 4.08Å; L27-Y171 HydrophobicContact CD1-CD2 4.35Å; L27-Y171 HydrophobicContact CD1-CE2 4.39Å; L27-Y171 HydrophobicContact CD2-CD2 3.87Å; L27-Y171 HydrophobicContact CD2-CE2 3.44Å; L27-Y171 VanDerWaalsContact CD2-CE2 3.44Å
28A97.6Very high91.8Very high0 Ų031.2 Ų31.20%018%0.177CC..EExtended strand (participates in β ladder)trans-76.3141.3165.500000109.5V71 V73 C143 L146 V152 G154 C155 I156A28-V71 CarbonylContact C-O 3.58Å; A28-V71 VanDerWaalsContact CA-O 3.25Å; A28-V71 WeakPolarHBondContact CA-O 3.19Å; A28-V73 HydrophobicContact CB-CG2 4.4Å; A28-C143 HydrophobicContact CB-CB 4.32Å; A28-L146 HydrophobicContact CB-CD1 4.2Å; A28-V152 HydrophobicContact CB-CG1 4.23Å; A28-V152 HydrophobicContact CB-CG2 3.95Å; A28-G154 PolarHBondContact N-O 3.19Å; A28-C155 HydrophobicContact CB-CB 4.36Å; A28-C155 CarbonylContact O-C 3.5Å; A28-C155 WeakPolarHBondContact O-CA 3.47Å; A28-I156 PolarHBondContact O-N 3.03Å
29V97.3Very high90.8Very high0 Ų033.2 Ų33.20%018%0.183CC..EExtended strand (participates in β ladder)trans-127.9124.8-179.6-174.40000109.6L31 W34 L70 V71 F72 V73 I156V29-L31 PolarHBondContact O-N 3.3Å; V29-L31 VanDerWaalsContact O-N 3.17Å; V29-W34 HydrophobicContact CG1-CD2 3.91Å; V29-W34 HydrophobicContact CG1-CE3 4.16Å; V29-W34 HydrophobicContact CG1-CH2 3.96Å; V29-W34 HydrophobicContact CG1-CZ2 3.72Å; V29-W34 HydrophobicContact CG1-CZ3 4.17Å; V29-L70 HydrophobicContact CG2-CD2 3.99Å; V29-V71 PolarHBondContact N-O 3.39Å; V29-F72 HydrophobicContact CB-CD1 3.81Å; V29-F72 HydrophobicContact CB-CE1 3.8Å; V29-F72 HydrophobicContact CB-CG 4.38Å; V29-F72 HydrophobicContact CB-CZ 4.34Å; V29-F72 HydrophobicContact CG1-CD1 3.94Å; V29-F72 HydrophobicContact CG1-CE1 3.6Å; V29-F72 HydrophobicContact CG1-CZ 4.35Å; V29-F72 HydrophobicContact CG2-CE1 4.35Å; V29-F72 HydrophobicContact CG2-CZ 4.42Å; V29-V73 PolarHBondContact O-N 3.37Å; V29-I156 HydrophobicContact CG1-CB 4.47Å; V29-I156 HydrophobicContact CG2-CB 4.29Å; V29-I156 HydrophobicContact CG2-CD1 3.97Å
30D95.6Very high89.7Confident8 Ų839.5 Ų39.54%0.04321%0.212CC..EExtended strand (participates in β ladder)trans-68.1110.7168-175.1-45.5000109.5S32 L33 A139 I156D30-S32 WeakPolarHBondContact OD1-CA 3.36Å; D30-S32 VanDerWaalsContact OD1-CB 3.31Å; D30-S32 WeakPolarHBondContact OD1-CB 3.48Å; D30-S32 PolarHBondContact OD1-N 3.05Å; D30-L33 HydrophobicContact CB-CB 4.35Å; D30-L33 HydrophobicContact CB-CD1 4.05Å; D30-L33 HydrophobicContact CB-CG 4.16Å; D30-L33 PolarHBondContact OD1-N 3.45Å; D30-A139 VanDerWaalsContact OD2-CB 3.29Å; D30-A139 WeakPolarHBondContact OD2-CB 3.5Å; D30-I156 PolarHBondContact N-O 2.81Å
31L94.3Very high88.9Confident2 Ų234.4 Ų34.41%0.0120%0.197CC..Hα-helixtrans-72.1-37-179.3-178.559.6000112.2V29 L33 W34 V35 L56 F72 V73 L118 C121V29-L31 PolarHBondContact O-N 3.3Å; V29-L31 VanDerWaalsContact O-N 3.17Å; L31-L33 VanDerWaalsContact C-N 3.3Å; L31-L33 PolarHBondContact O-N 3.18Å; L31-W34 PolarHBondContact O-N 2.77Å; L31-V35 HydrophobicContact CD1-CG2 4.32Å; L31-V35 HydrophobicContact CG-CG2 4.45Å; L31-V35 WeakPolarHBondContact O-CG2 3.35Å; L31-V35 PolarHBondContact O-N 2.83Å; L31-L56 HydrophobicContact CD1-CD1 4.15Å; L31-L56 HydrophobicContact CD1-CD2 3.85Å; L31-F72 HydrophobicContact CB-CD1 4.16Å; L31-F72 HydrophobicContact CD1-CD1 3.86Å; L31-F72 HydrophobicContact CD1-CE1 4.25Å; L31-V73 VanDerWaalsContact CB-O 3.32Å; L31-V73 WeakPolarHBondContact CB-O 3.38Å; L31-V73 PolarHBondContact N-O 3.28Å; L31-L118 HydrophobicContact CD2-CD2 4.23Å; L31-L118 HydrophobicContact CG-CD2 3.98Å; L31-C121 HydrophobicContact CD1-CB 4.02Å; L31-C121 HydrophobicContact CD2-CB 3.93Å; L31-C121 HydrophobicContact CG-CB 4.39Å
32S89.3Confident87.5Confident7 Ų738.2 Ų38.25%0.04921%0.208CC..Hα-helixtrans-59.3-41.8-179.2-73.50000111.3D30 V35 C36 E75D30-S32 WeakPolarHBondContact OD1-CA 3.36Å; D30-S32 VanDerWaalsContact OD1-CB 3.31Å; D30-S32 WeakPolarHBondContact OD1-CB 3.48Å; D30-S32 PolarHBondContact OD1-N 3.05Å; S32-V35 PolarHBondContact O-N 3.5Å; S32-C36 WeakPolarHBondContact O-CB 3.34Å; S32-C36 PolarHBondContact O-N 3.48Å; S32-C36 PolarHBondContact O-SG 3.49Å; S32-E75 WeakPolarHBondContact OG-CB 3.34Å; S32-E75 PolarHBondContact OG-OE2 2.91Å; S32-E75 VanDerWaalsContact OG-OE2 3.06Å
33L86.8Confident86.1Confident34 Ų3441.7 Ų41.718%0.17824%0.237CC..Hα-helixtrans-64.5-42.9178.4-70.7-176.7000112.6D30 L31 C36 E37 E140 T157 N158 D159D30-L33 HydrophobicContact CB-CB 4.35Å; D30-L33 HydrophobicContact CB-CD1 4.05Å; D30-L33 HydrophobicContact CB-CG 4.16Å; D30-L33 PolarHBondContact OD1-N 3.45Å; L31-L33 VanDerWaalsContact C-N 3.3Å; L31-L33 PolarHBondContact O-N 3.18Å; L33-C36 PolarHBondContact O-N 2.96Å; L33-E37 WeakPolarHBondContact O-CB 3.37Å; L33-E37 PolarHBondContact O-N 3.21Å; L33-E140 WeakPolarHBondContact CD1-OE1 3.25Å; L33-T157 VanDerWaalsContact CD1-OG1 3.26Å; L33-T157 WeakPolarHBondContact CD1-OG1 3.31Å; L33-N158 HydrophobicContact CD1-CB 4.28Å; L33-D159 HydrophobicContact CD1-CB 4.32Å
34W89.8Confident84.7Confident14 Ų1440.6 Ų40.65%0.05322%0.224CC..Hα-helixtrans-68.8-36.1179-78.616.2000112.8V29 L31 A38 L56 R59 L63 F72 I156 F174V29-W34 HydrophobicContact CG1-CD2 3.91Å; V29-W34 HydrophobicContact CG1-CE3 4.16Å; V29-W34 HydrophobicContact CG1-CH2 3.96Å; V29-W34 HydrophobicContact CG1-CZ2 3.72Å; V29-W34 HydrophobicContact CG1-CZ3 4.17Å; L31-W34 PolarHBondContact O-N 2.77Å; W34-A38 WeakPolarHBondContact O-CB 3.43Å; W34-A38 PolarHBondContact O-N 3.29Å; W34-A38 VanDerWaalsContact O-N 3.14Å; W34-L56 HydrophobicContact CE3-CD1 3.85Å; W34-L56 HydrophobicContact CZ3-CD1 4.09Å; W34-R59 HydrophobicContact CE3-CB 4.16Å; W34-R59 VanDerWaalsContact CE3-CD 3.48Å; W34-R59 HydrophobicContact CE3-CG 4.46Å; W34-R59 HydrophobicContact CH2-CB 3.7Å; W34-R59 HydrophobicContact CH2-CG 4.22Å; W34-R59 HydrophobicContact CZ3-CB 3.39Å; W34-R59 VanDerWaalsContact CZ3-CD 3.47Å; W34-R59 HydrophobicContact CZ3-CG 4.04Å; W34-L63 HydrophobicContact CH2-CD1 3.95Å; W34-F72 AromaticContact CE3-CE1 3.84Å; W34-F72 HydrophobicContact CE3-CE1 3.84Å; W34-F72 HydrophobicContact CE3-CZ 4.28Å; W34-F72 HydrophobicContact CH2-CZ 4.46Å; W34-F72 AromaticContact CZ3-CE1 3.76Å; W34-F72 HydrophobicContact CZ3-CE1 3.76Å; W34-F72 AromaticContact CZ3-CZ 3.75Å; W34-F72 HydrophobicContact CZ3-CZ 3.75Å; W34-I156 HydrophobicContact CZ2-CG2 4.21Å; W34-F174 HydrophobicContact CZ2-CD1 4.09Å; W34-F174 HydrophobicContact CZ2-CE1 4.24Å; W34-F174 HydrophobicContact CZ2-CG 4.3Å
35V88Confident83.3Confident3 Ų343.9 Ų43.92%0.01823%0.23CC..Hα-helixtrans-65.5-47.6173.3173.10000110.5L31 S32 E37 A38 Q39 H52 F114 V117 L118L31-V35 HydrophobicContact CD1-CG2 4.32Å; L31-V35 HydrophobicContact CG-CG2 4.45Å; L31-V35 WeakPolarHBondContact O-CG2 3.35Å; L31-V35 PolarHBondContact O-N 2.83Å; S32-V35 PolarHBondContact O-N 3.5Å; V35-E37 PolarHBondContact O-N 3.38Å; V35-A38 PolarHBondContact O-N 2.88Å; V35-Q39 WeakPolarHBondContact O-CG 3.26Å; V35-Q39 PolarHBondContact O-N 2.94Å; V35-H52 HydrophobicContact CG1-CB 4.27Å; V35-H52 HydrophobicContact CG2-CB 4.43Å; V35-F114 HydrophobicContact CB-CE2 4.33Å; V35-F114 HydrophobicContact CG1-CD2 4.45Å; V35-F114 HydrophobicContact CG1-CE2 3.8Å; V35-V117 HydrophobicContact CG1-CG1 3.51Å; V35-L118 HydrophobicContact CB-CD2 4.29Å; V35-L118 HydrophobicContact CG2-CD2 3.91Å
36C85.4Confident81.8Confident46 Ų4644.7 Ų44.731%0.31126%0.259SS..Hα-helixtrans-58.9-47.2176.8-75.90000111.5S32 L33 A38 Q39 H40 F114S32-C36 WeakPolarHBondContact O-CB 3.34Å; S32-C36 PolarHBondContact O-N 3.48Å; S32-C36 PolarHBondContact O-SG 3.49Å; L33-C36 PolarHBondContact O-N 2.96Å; C36-A38 VanDerWaalsContact C-N 3.34Å; C36-A38 PolarHBondContact O-N 3Å; C36-Q39 PolarHBondContact O-N 2.99Å; C36-H40 PolarHBondContact O-N 3.47Å; C36-H40 PolarHBondContact O-ND1 3.33Å; C36-F114 VanDerWaalsContact SG-CE2 3.58Å
37E83.9Confident80.5Confident74 Ų7453.7 Ų53.735%0.34629%0.29SS..Hα-helixtrans-55.2-49.2178.3-172.2-165.716100111.3L33 V35 Q39 H40 V41 R59L33-E37 WeakPolarHBondContact O-CB 3.37Å; L33-E37 PolarHBondContact O-N 3.21Å; V35-E37 PolarHBondContact O-N 3.38Å; E37-Q39 VanDerWaalsContact C-N 3.29Å; E37-Q39 PolarHBondContact O-N 3.13Å; E37-H40 PolarHBondContact O-N 3.42Å; E37-H40 VanDerWaalsContact O-N 3.13Å; E37-V41 WeakPolarHBondContact O-CG2 3.2Å; E37-R59 IonicContact OE1-CZ 2.75Å; E37-R59 IonicContact OE1-NH2 2.68Å; E37-R59 PolarHBondContact OE1-NH2 3.24Å; E37-R59 IonicContact OE2-CZ 3.19Å; E37-R59 IonicContact OE2-NH1 3.85Å; E37-R59 PolarHBondContact OE2-NH1 3.09Å; E37-R59 IonicContact OE2-NH2 3.84Å; E37-R59 PolarHBondContact OE2-NH2 3.22Å
38A80.9Confident79.4Confident2 Ų256 Ų562%0.01730%0.304CS..Hα-helixtrans-64.8-29.7-178.200000113.7W34 V35 C36 H40 H52W34-A38 WeakPolarHBondContact O-CB 3.43Å; W34-A38 PolarHBondContact O-N 3.29Å; W34-A38 VanDerWaalsContact O-N 3.14Å; V35-A38 PolarHBondContact O-N 2.88Å; C36-A38 VanDerWaalsContact C-N 3.34Å; C36-A38 PolarHBondContact O-N 3Å; A38-H40 VanDerWaalsContact C-N 3.29Å; A38-H40 PolarHBondContact O-N 2.93Å; A38-H52 HydrophobicContact CB-CB 3.92Å
39Q72.3Confident78.5Confident78 Ų7858.7 Ų58.736%0.36432%0.321SS..Hα-helixtrans-71-23.1176.6-72.5176.5-9.900113.1V35 C36 E37V35-Q39 WeakPolarHBondContact O-CG 3.26Å; V35-Q39 PolarHBondContact O-N 2.94Å; C36-Q39 PolarHBondContact O-N 2.99Å; E37-Q39 VanDerWaalsContact C-N 3.29Å; E37-Q39 PolarHBondContact O-N 3.13Å
40H68.1Low77.9Confident133 Ų13361.5 Ų61.562%0.61633%0.333SS*.THydrogen-bonded Turntrans-95.5-1.6-177.9-65.590.9000113.7C36 E37 A38 Q42C36-H40 PolarHBondContact O-N 3.47Å; C36-H40 PolarHBondContact O-ND1 3.33Å; E37-H40 PolarHBondContact O-N 3.42Å; E37-H40 VanDerWaalsContact O-N 3.13Å; A38-H40 VanDerWaalsContact C-N 3.29Å; A38-H40 PolarHBondContact O-N 2.93Å; H40-Q42 PolarHBondContact O-N 3.13Å
41V72.7Confident77.5Confident46 Ų4662.2 Ų62.228%0.27934%0.338SS..  trans-75.690.8178.5-174.50000110.6E37 A43 M44E37-V41 WeakPolarHBondContact O-CG2 3.2Å; V41-A43 HydrophobicContact CG1-CB 4.42Å; V41-A43 PolarHBondContact O-N 2.88Å; V41-A43 VanDerWaalsContact O-N 3.12Å; V41-M44 HydrophobicContact CB-CG 4.46Å; V41-M44 HydrophobicContact CB-SD 4.49Å; V41-M44 HydrophobicContact CG1-CB 4.31Å; V41-M44 HydrophobicContact CG1-CG 3.86Å; V41-M44 HydrophobicContact CG1-SD 4.16Å; V41-M44 PolarHBondContact O-N 2.79Å
42Q63.4Low77.3Confident141 Ų14162.9 Ų62.966%0.65934%0.341SS*.G310 helixtrans-51.7-36.9-178.8-64-60.2-49.900113.4H40 M44 M45H40-Q42 PolarHBondContact O-N 3.13Å; Q42-M44 PolarHBondContact O-N 3.24Å; Q42-M45 VanDerWaalsContact CD-SD 3.57Å; Q42-M45 PolarHBondContact NE2-SD 3.44Å; Q42-M45 PolarHBondContact O-N 3.45Å; Q42-M45 PolarHBondContact OE1-SD 3.35Å
43A64.8Low77.6Confident75 Ų7562.5 Ų62.562%0.6234%0.338SS*.G310 helixtrans-64.4-21.2-179.400000114.3V41V41-A43 HydrophobicContact CG1-CB 4.42Å; V41-A43 PolarHBondContact O-N 2.88Å; V41-A43 VanDerWaalsContact O-N 3.12Å
44M64.6Low77.8Confident51 Ų5164.7 Ų64.725%0.25134%0.344SS..G310 helixtrans-98.5-14.7179.3-65.5-175.2179.700112.9V41 Q42 G46 R47 V48 P51V41-M44 HydrophobicContact CB-CG 4.46Å; V41-M44 HydrophobicContact CB-SD 4.49Å; V41-M44 HydrophobicContact CG1-CB 4.31Å; V41-M44 HydrophobicContact CG1-CG 3.86Å; V41-M44 HydrophobicContact CG1-SD 4.16Å; V41-M44 PolarHBondContact O-N 2.79Å; Q42-M44 PolarHBondContact O-N 3.24Å; M44-G46 PolarHBondContact O-N 3.17Å; M44-R47 PolarHBondContact O-N 3.18Å; M44-V48 HydrophobicContact CB-CB 4.44Å; M44-V48 HydrophobicContact CB-CG2 4.38Å; M44-V48 HydrophobicContact CG-CG2 4.47Å; M44-V48 PolarHBondContact O-N 3.41Å; M44-P51 HydrophobicContact CB-CB 4.18Å; M44-P51 HydrophobicContact SD-CB 3.93Å
45M62.8Low78Confident109 Ų10965.2 Ų65.254%0.53735%0.348SS..THydrogen-bonded Turntrans-64.9122.8-178.1-67.3-179.265.600110.5Q42 R47Q42-M45 VanDerWaalsContact CD-SD 3.57Å; Q42-M45 PolarHBondContact NE2-SD 3.44Å; Q42-M45 PolarHBondContact O-N 3.45Å; Q42-M45 PolarHBondContact OE1-SD 3.35Å; M45-R47 VanDerWaalsContact C-N 3.28Å; M45-R47 PolarHBondContact O-N 3.05Å
46G65.3Low78.3Confident90 Ų9065.3 Ų65.393%0.92835%0.348SS*.THydrogen-bonded Turntrans79.6-1.6-179.500000115.7M44M44-G46 PolarHBondContact O-N 3.17Å
47R69.6Low78.9Confident214 Ų21463.1 Ų63.181%0.80833%0.333SS*.THydrogen-bonded Turntrans-113.6-28.2178-66.5-178.3179174.1-1.2113.8M44 M45M44-R47 PolarHBondContact O-N 3.18Å; M45-R47 VanDerWaalsContact C-N 3.28Å; M45-R47 PolarHBondContact O-N 3.05Å
48V75.1Confident79.4Confident50 Ų5061.6 Ų61.630%0.30333%0.326SS..SBendtrans-122.9124.2-176.4178.70000109.2M44 K50 P51 R54M44-V48 HydrophobicContact CB-CB 4.44Å; M44-V48 HydrophobicContact CB-CG2 4.38Å; M44-V48 HydrophobicContact CG-CG2 4.47Å; M44-V48 PolarHBondContact O-N 3.41Å; V48-K50 PolarHBondContact O-N 2.94Å; V48-P51 HydrophobicContact CG1-CB 4.3Å; V48-R54 HydrophobicContact CG1-CB 4.44Å
49T78.9Confident80Confident56 Ų5662.7 Ų62.734%0.34433%0.33SS..SBendtrans-67.9121.5172.2-54.10000109.3E367T49-E367 HydrophobicContact CG2-CG 4.28Å; T49-E367 PolarHBondContact OG1-OE2 3.32Å
50K84.3Confident81.1Confident59 Ų5959 Ų5926%0.25731%0.312SS..SBendtrans46.571.2179-64.1-166.4-179.4-172.10114.3V48 H52 L53 R54 E120 K365V48-K50 PolarHBondContact O-N 2.94Å; K50-H52 PolarHBondContact O-N 3.49Å; K50-H52 VanDerWaalsContact O-N 3.09Å; K50-L53 HydrophobicContact CB-CD1 4.13Å; K50-L53 HydrophobicContact CB-CG 4.4Å; K50-L53 HydrophobicContact CD-CD1 3.79Å; K50-L53 PolarHBondContact O-N 3.17Å; K50-L53 VanDerWaalsContact O-N 3.14Å; K50-R54 PolarHBondContact O-N 3.43Å; K50-E120 IonicContact NZ-OE1 3.95Å; K50-E120 PolarHBondContact NZ-OE1 2.77Å; K50-E120 IonicContact NZ-OE2 3.55Å; K50-E120 PolarHBondContact NZ-OE2 2.96Å; K50-K365 HydrophobicContact CD-CB 4.48Å; K50-K365 WeakPolarHBondContact CD-O 3.21Å
51P88.1Confident82.4Confident22 Ų2253.2 Ų53.214%0.14329%0.287CS..Hα-helixtrans-61.4-24.4-175.224.8-35000114.4M44 V48 R54 N55M44-P51 HydrophobicContact CB-CB 4.18Å; M44-P51 HydrophobicContact SD-CB 3.93Å; V48-P51 HydrophobicContact CG1-CB 4.3Å; P51-R54 PolarHBondContact O-N 2.92Å; P51-N55 VanDerWaalsContact O-CB 3.3Å; P51-N55 WeakPolarHBondContact O-CB 3.33Å; P51-N55 VanDerWaalsContact O-CG 3.23Å; P51-N55 PolarHBondContact O-N 3.05Å
52H90.1Very high83.4Confident16 Ų1652.7 Ų52.77%0.07429%0.285CS..Hα-helixtrans-63.1-44.4175.953.4-84.9000112.3V35 A38 K50 L56 V117V35-H52 HydrophobicContact CG1-CB 4.27Å; V35-H52 HydrophobicContact CG2-CB 4.43Å; A38-H52 HydrophobicContact CB-CB 3.92Å; K50-H52 PolarHBondContact O-N 3.49Å; K50-H52 VanDerWaalsContact O-N 3.09Å; H52-L56 WeakPolarHBondContact O-CB 3.23Å; H52-L56 PolarHBondContact O-N 3.27Å; H52-V117 VanDerWaalsContact CD2-CG1 3.42Å; H52-V117 WeakPolarHBondContact CD2-CG1 3.18Å
53L94.1Very high84.9Confident0 Ų046 Ų460%025%0.254CS..Hα-helixtrans-66.3-45.6176.4-65.4176.4000110.8K50 N55 L56 F57 E120 M124 F361 K365 M366K50-L53 HydrophobicContact CB-CD1 4.13Å; K50-L53 HydrophobicContact CB-CG 4.4Å; K50-L53 HydrophobicContact CD-CD1 3.79Å; K50-L53 PolarHBondContact O-N 3.17Å; K50-L53 VanDerWaalsContact O-N 3.14Å; L53-N55 PolarHBondContact O-N 2.96Å; L53-L56 PolarHBondContact O-N 2.87Å; L53-F57 WeakPolarHBondContact O-CB 3.39Å; L53-F57 PolarHBondContact O-N 2.9Å; L53-E120 HydrophobicContact CD2-CB 4.31Å; L53-M124 HydrophobicContact CB-CE 4.33Å; L53-M124 HydrophobicContact CB-SD 4.41Å; L53-M124 HydrophobicContact CD2-CE 3.92Å; L53-M124 HydrophobicContact CD2-SD 4.42Å; L53-M124 WeakPolarHBondContact O-CE 3.37Å; L53-F361 HydrophobicContact CD1-CE1 3.97Å; L53-F361 HydrophobicContact CD1-CZ 3.9Å; L53-F361 HydrophobicContact CD2-CE1 4.27Å; L53-F361 HydrophobicContact CD2-CZ 4.02Å; L53-K365 HydrophobicContact CD1-CB 3.81Å; L53-M366 HydrophobicContact CB-CG 3.95Å; L53-M366 HydrophobicContact CB-SD 3.63Å; L53-M366 HydrophobicContact CD1-CG 4.03Å
54R92.7Very high86.3Confident79 Ų7942.5 Ų42.530%0.29823%0.225SC..Hα-helixtrans-56.4-53.5177.8-167.5-161.8173.9-66.8-5.8111.1V48 K50 P51 F57 F58 W368V48-R54 HydrophobicContact CG1-CB 4.44Å; K50-R54 PolarHBondContact O-N 3.43Å; P51-R54 PolarHBondContact O-N 2.92Å; R54-F57 PolarHBondContact O-N 3.42Å; R54-F58 HydrophobicContact CG-CD2 4.03Å; R54-F58 HydrophobicContact CG-CE2 3.8Å; R54-F58 VanDerWaalsContact NH1-CE2 3.3Å; R54-F58 WeakPolarHBondContact O-CD2 3.37Å; R54-F58 PolarHBondContact O-N 2.79Å; R54-W368 HydrophobicContact CG-CZ2 4.06Å
55N92.5Very high87.6Confident25 Ų2542.6 Ų42.613%0.13423%0.226CC..Hα-helixtrans-64.8-41.8-177.9-71.6-5.4000111.4P51 L53 F58 R59P51-N55 VanDerWaalsContact O-CB 3.3Å; P51-N55 WeakPolarHBondContact O-CB 3.33Å; P51-N55 VanDerWaalsContact O-CG 3.23Å; P51-N55 PolarHBondContact O-N 3.05Å; L53-N55 PolarHBondContact O-N 2.96Å; N55-F58 PolarHBondContact O-N 3.26Å; N55-R59 WeakPolarHBondContact O-CB 3.35Å; N55-R59 VanDerWaalsContact O-CG 3.26Å; N55-R59 WeakPolarHBondContact O-CG 3.42Å; N55-R59 PolarHBondContact O-N 3.4Å
56L95.4Very high89Confident5 Ų540 Ų403%0.02621%0.213CC..Hα-helixtrans-59.5-47.3176.1176.761.3000111.5L31 W34 H52 L53 F58 R59 V60 F72 C121 M124 L125L31-L56 HydrophobicContact CD1-CD1 4.15Å; L31-L56 HydrophobicContact CD1-CD2 3.85Å; W34-L56 HydrophobicContact CE3-CD1 3.85Å; W34-L56 HydrophobicContact CZ3-CD1 4.09Å; H52-L56 WeakPolarHBondContact O-CB 3.23Å; H52-L56 PolarHBondContact O-N 3.27Å; L53-L56 PolarHBondContact O-N 2.87Å; L56-F58 PolarHBondContact O-N 3Å; L56-R59 PolarHBondContact O-N 3.05Å; L56-V60 HydrophobicContact CD1-CG2 3.93Å; L56-V60 HydrophobicContact CG-CG2 4.44Å; L56-V60 WeakPolarHBondContact O-CB 3.41Å; L56-V60 VanDerWaalsContact O-CG2 3.29Å; L56-V60 WeakPolarHBondContact O-CG2 3.17Å; L56-V60 PolarHBondContact O-N 2.86Å; L56-F72 HydrophobicContact CD1-CD1 4.31Å; L56-F72 HydrophobicContact CD1-CE1 3.44Å; L56-F72 VanDerWaalsContact CD1-CE1 3.44Å; L56-F72 HydrophobicContact CD1-CE2 4.48Å; L56-F72 HydrophobicContact CD1-CZ 3.55Å; L56-C121 HydrophobicContact CD2-CB 3.54Å; L56-M124 HydrophobicContact CB-CE 3.78Å; L56-M124 HydrophobicContact CD2-CE 3.39Å; L56-M124 HydrophobicContact CG-CE 3.55Å; L56-L125 HydrophobicContact CD1-CD2 4.43Å; L56-L125 HydrophobicContact CD2-CG 4.47Å
57F96.4Very high90.3Very high0 Ų036.1 Ų36.10%017%0.173CC..Hα-helixtrans-55.1-51.1176.9177.2-86.1000111.8L53 R54 V60 S61 M124 L128 M358 W368 K376 V377L53-F57 WeakPolarHBondContact O-CB 3.39Å; L53-F57 PolarHBondContact O-N 2.9Å; R54-F57 PolarHBondContact O-N 3.42Å; F57-V60 PolarHBondContact O-N 3.22Å; F57-S61 VanDerWaalsContact O-CB 3.26Å; F57-S61 WeakPolarHBondContact O-CB 3.45Å; F57-S61 PolarHBondContact O-N 2.9Å; F57-M124 HydrophobicContact CB-SD 4.08Å; F57-L128 HydrophobicContact CD2-CD1 4.05Å; F57-L128 HydrophobicContact CD2-CD2 4.12Å; F57-L128 HydrophobicContact CE2-CD2 3.82Å; F57-M358 HydrophobicContact CD2-CE 3.83Å; F57-M358 HydrophobicContact CE2-CE 4.14Å; F57-W368 HydrophobicContact CB-CH2 4.46Å; F57-W368 AromaticContact CD1-CH2 3.6Å; F57-W368 HydrophobicContact CD1-CH2 3.6Å; F57-W368 HydrophobicContact CD1-CZ3 4.01Å; F57-W368 HydrophobicContact CD2-CZ3 4.39Å; F57-W368 AromaticContact CE1-CH2 3.97Å; F57-W368 HydrophobicContact CE1-CH2 3.97Å; F57-W368 HydrophobicContact CE1-CZ3 4.02Å; F57-W368 HydrophobicContact CE2-CZ3 4.38Å; F57-W368 AromaticContact CG-CH2 3.95Å; F57-W368 HydrophobicContact CG-CH2 3.95Å; F57-W368 HydrophobicContact CG-CZ3 4.22Å; F57-W368 HydrophobicContact CZ-CZ3 4.22Å; F57-K376 HydrophobicContact CE1-CB 3.71Å; F57-K376 HydrophobicContact CE1-CG 4.4Å; F57-K376 HydrophobicContact CZ-CB 3.54Å; F57-V377 HydrophobicContact CE2-CG2 4.27Å
58F94.4Very high91.5Very high42 Ų4226 Ų2618%0.18414%0.135CC..Hα-helixtrans-70.2-34.1-177.5-73.1-68.2000113R54 N55 L56 S62 W368R54-F58 HydrophobicContact CG-CD2 4.03Å; R54-F58 HydrophobicContact CG-CE2 3.8Å; R54-F58 VanDerWaalsContact NH1-CE2 3.3Å; R54-F58 WeakPolarHBondContact O-CD2 3.37Å; R54-F58 PolarHBondContact O-N 2.79Å; N55-F58 PolarHBondContact O-N 3.26Å; L56-F58 PolarHBondContact O-N 3Å; F58-S62 VanDerWaalsContact O-CB 3.3Å; F58-S62 WeakPolarHBondContact O-CB 3.37Å; F58-S62 PolarHBondContact O-N 2.93Å; F58-S62 PolarHBondContact O-OG 3.16Å; F58-W368 AromaticContact CE2-CH2 3.83Å; F58-W368 HydrophobicContact CE2-CH2 3.83Å; F58-W368 AromaticContact CE2-CZ2 3.78Å; F58-W368 HydrophobicContact CE2-CZ2 3.78Å; F58-W368 AromaticContact CZ-CH2 3.85Å; F58-W368 HydrophobicContact CZ-CH2 3.85Å; F58-W368 HydrophobicContact CZ-CZ2 4.05Å
59R94.8Very high92.5Very high26 Ų2627.7 Ų27.710%0.09814%0.138CC..Hα-helixtrans-63.9-48.3173.2-73.6-178.6177.5180-2.7111.2W34 E37 N55 L56 S61 S62 L63 F174 M176W34-R59 HydrophobicContact CE3-CB 4.16Å; W34-R59 VanDerWaalsContact CE3-CD 3.48Å; W34-R59 HydrophobicContact CE3-CG 4.46Å; W34-R59 HydrophobicContact CH2-CB 3.7Å; W34-R59 HydrophobicContact CH2-CG 4.22Å; W34-R59 HydrophobicContact CZ3-CB 3.39Å; W34-R59 VanDerWaalsContact CZ3-CD 3.47Å; W34-R59 HydrophobicContact CZ3-CG 4.04Å; E37-R59 IonicContact OE1-CZ 2.75Å; E37-R59 IonicContact OE1-NH2 2.68Å; E37-R59 PolarHBondContact OE1-NH2 3.24Å; E37-R59 IonicContact OE2-CZ 3.19Å; E37-R59 IonicContact OE2-NH1 3.85Å; E37-R59 PolarHBondContact OE2-NH1 3.09Å; E37-R59 IonicContact OE2-NH2 3.84Å; E37-R59 PolarHBondContact OE2-NH2 3.22Å; N55-R59 WeakPolarHBondContact O-CB 3.35Å; N55-R59 VanDerWaalsContact O-CG 3.26Å; N55-R59 WeakPolarHBondContact O-CG 3.42Å; N55-R59 PolarHBondContact O-N 3.4Å; L56-R59 PolarHBondContact O-N 3.05Å; R59-S61 PolarHBondContact O-N 3.38Å; R59-S62 PolarHBondContact O-N 2.87Å; R59-L63 WeakPolarHBondContact O-CB 3.49Å; R59-L63 WeakPolarHBondContact O-CG 3.39Å; R59-L63 PolarHBondContact O-N 3.16Å; R59-F174 HydrophobicContact CG-CE1 3.91Å; R59-M176 HydrophobicContact CB-CE 4.42Å; R59-M176 HydrophobicContact CG-CE 3.93Å
60V96Very high93.3Very high0 Ų025.2 Ų25.20%012%0.123CC..Hα-helixtrans-59.4-47.7175.9169.10000111.1L56 F57 T64 L70 F72 L125 L128 V130L56-V60 HydrophobicContact CD1-CG2 3.93Å; L56-V60 HydrophobicContact CG-CG2 4.44Å; L56-V60 WeakPolarHBondContact O-CB 3.41Å; L56-V60 VanDerWaalsContact O-CG2 3.29Å; L56-V60 WeakPolarHBondContact O-CG2 3.17Å; L56-V60 PolarHBondContact O-N 2.86Å; F57-V60 PolarHBondContact O-N 3.22Å; V60-T64 WeakPolarHBondContact O-CB 3.2Å; V60-T64 PolarHBondContact O-N 3.43Å; V60-T64 PolarHBondContact O-OG1 3.29Å; V60-L70 HydrophobicContact CG2-CD1 4.27Å; V60-F72 HydrophobicContact CG2-CE2 3.61Å; V60-F72 HydrophobicContact CG2-CZ 3.54Å; V60-L125 HydrophobicContact CG2-CD2 3.85Å; V60-L128 HydrophobicContact CB-CD1 4.5Å; V60-L128 HydrophobicContact CG1-CD1 4.06Å; V60-V130 HydrophobicContact CG1-CG2 3.72Å
61S95.3Very high93.9Very high12 Ų1222.5 Ų22.58%0.08411%0.111CC..Hα-helixtrans-60.6-50.9-178.9178.70000111.3F57 R59 T64 L65F57-S61 VanDerWaalsContact O-CB 3.26Å; F57-S61 WeakPolarHBondContact O-CB 3.45Å; F57-S61 PolarHBondContact O-N 2.9Å; R59-S61 PolarHBondContact O-N 3.38Å; S61-T64 PolarHBondContact O-N 2.99Å; S61-L65 WeakPolarHBondContact O-CB 3.38Å; S61-L65 VanDerWaalsContact O-CG 3.25Å; S61-L65 WeakPolarHBondContact O-CG 3.44Å; S61-L65 PolarHBondContact O-N 2.95Å
62S93.4Very high94.4Very high35 Ų3521.5 Ų21.525%0.24511%0.105CC..Hα-helixtrans-63.9-48.2-177.4-54.90000112.3F58 R59 T64 L65 M66 M176F58-S62 VanDerWaalsContact O-CB 3.3Å; F58-S62 WeakPolarHBondContact O-CB 3.37Å; F58-S62 PolarHBondContact O-N 2.93Å; F58-S62 PolarHBondContact O-OG 3.16Å; R59-S62 PolarHBondContact O-N 2.87Å; S62-T64 VanDerWaalsContact C-N 3.33Å; S62-T64 PolarHBondContact O-N 3.42Å; S62-L65 PolarHBondContact O-N 3.39Å; S62-M66 VanDerWaalsContact O-CG 3.3Å; S62-M66 WeakPolarHBondContact O-CG 3.41Å; S62-M66 PolarHBondContact O-N 3.37Å; S62-M176 WeakPolarHBondContact CB-SD 3.34Å
63L94.8Very high94.7Very high1 Ų120.8 Ų20.81%0.00510%0.101CC..Hα-helixtrans-64.4-39179.4-76.1168.3000112.2L19 W34 R59 M66 G67 V68 L70 F174L19-L63 HydrophobicContact CD1-CD2 4.39Å; W34-L63 HydrophobicContact CH2-CD1 3.95Å; R59-L63 WeakPolarHBondContact O-CB 3.49Å; R59-L63 WeakPolarHBondContact O-CG 3.39Å; R59-L63 PolarHBondContact O-N 3.16Å; L63-M66 PolarHBondContact O-N 2.82Å; L63-G67 PolarHBondContact O-N 2.82Å; L63-V68 HydrophobicContact CB-CB 4.26Å; L63-V68 HydrophobicContact CD2-CB 4.37Å; L63-V68 HydrophobicContact CD2-CG2 4.12Å; L63-V68 WeakPolarHBondContact O-CB 3.47Å; L63-V68 PolarHBondContact O-N 2.89Å; L63-L70 HydrophobicContact CB-CD1 3.89Å; L63-L70 HydrophobicContact CB-CD2 4.35Å; L63-L70 HydrophobicContact CB-CG 4.37Å; L63-L70 HydrophobicContact CD1-CD1 3.92Å; L63-L70 HydrophobicContact CD1-CD2 3.97Å; L63-F174 HydrophobicContact CD1-CE2 3.93Å; L63-F174 HydrophobicContact CD1-CZ 3.89Å; L63-F174 HydrophobicContact CD2-CE2 4Å; L63-F174 HydrophobicContact CD2-CZ 4.35Å; L63-F174 HydrophobicContact CG-CE2 4.29Å; L63-F174 HydrophobicContact CG-CZ 4.21Å
64T94.3Very high94.7Very high0 Ų021.7 Ų21.70%011%0.106CC..Hα-helixtrans-59.3-48.7174.6-65.90000111.2V60 S61 S62 M66 G67 R350 L380 Y383V60-T64 WeakPolarHBondContact O-CB 3.2Å; V60-T64 PolarHBondContact O-N 3.43Å; V60-T64 PolarHBondContact O-OG1 3.29Å; S61-T64 PolarHBondContact O-N 2.99Å; S62-T64 VanDerWaalsContact C-N 3.33Å; S62-T64 PolarHBondContact O-N 3.42Å; T64-M66 PolarHBondContact O-N 2.9Å; T64-G67 PolarHBondContact O-N 2.94Å; T64-R350 PolarHBondContact OG1-NH2 2.91Å; T64-L380 HydrophobicContact CG2-CD2 4.05Å; T64-Y383 HydrophobicContact CG2-CD1 3.54Å; T64-Y383 HydrophobicContact CG2-CE1 3.57Å; T64-Y383 VanDerWaalsContact O-CE1 3.27Å; T64-Y383 WeakPolarHBondContact O-CE1 3.46Å; T64-Y383 PolarHBondContact O-OH 2.93Å
65L92Very high94.6Very high54 Ų5420.5 Ų20.528%0.28310%0.104SC..Hα-helixtrans-68.6-21.1-179.8-66.8172.4000112.6S61 S62 G67 V379 L380 Y383S61-L65 WeakPolarHBondContact O-CB 3.38Å; S61-L65 VanDerWaalsContact O-CG 3.25Å; S61-L65 WeakPolarHBondContact O-CG 3.44Å; S61-L65 PolarHBondContact O-N 2.95Å; S62-L65 PolarHBondContact O-N 3.39Å; L65-G67 PolarHBondContact O-N 3.28Å; L65-V379 HydrophobicContact CD1-CG2 4.24Å; L65-L380 HydrophobicContact CD2-CD2 4.46Å; L65-L380 HydrophobicContact CG-CD2 4.28Å; L65-Y383 HydrophobicContact CD2-CD2 4.24Å; L65-Y383 HydrophobicContact CD2-CG 4.05Å
66M91.4Very high94.4Very high55 Ų5520.3 Ų20.327%0.27111%0.108SC..THydrogen-bonded Turntrans-81.23.3170-69.2175.6-171.800113.4L19 S23 S62 L63 T64 V68L19-M66 HydrophobicContact CB-SD 3.71Å; L19-M66 HydrophobicContact CD1-SD 4.45Å; S23-M66 WeakPolarHBondContact CA-O 3.24Å; S23-M66 WeakPolarHBondContact CB-O 3.38Å; S23-M66 PolarHBondContact OG-O 2.75Å; S62-M66 VanDerWaalsContact O-CG 3.3Å; S62-M66 WeakPolarHBondContact O-CG 3.41Å; S62-M66 PolarHBondContact O-N 3.37Å; L63-M66 PolarHBondContact O-N 2.82Å; T64-M66 PolarHBondContact O-N 2.9Å; M66-V68 HydrophobicContact CB-CG2 4.39Å
67G92.4Very high93.9Very high8 Ų828.3 Ų28.38%0.08215%0.145CC..THydrogen-bonded Turntrans87.72.4-179.600000115.1G24 L63 T64 L65 Y383G24-G67 PolarHBondContact N-O 3.2Å; L63-G67 PolarHBondContact O-N 2.82Å; T64-G67 PolarHBondContact O-N 2.94Å; L65-G67 PolarHBondContact O-N 3.28Å; G67-Y383 WeakPolarHBondContact CA-OH 3.14Å
68V95.3Very high93.2Very high1 Ų130.2 Ų30.21%0.00616%0.161CC..  trans-84128.8-179-170.60000109.9L22 L27 L63 M66 L70L22-V68 HydrophobicContact CB-CG2 3.86Å; L27-V68 HydrophobicContact CB-CG1 4.45Å; L27-V68 HydrophobicContact CD1-CG1 3.69Å; L27-V68 HydrophobicContact CG-CG1 3.89Å; L63-V68 HydrophobicContact CB-CB 4.26Å; L63-V68 HydrophobicContact CD2-CB 4.37Å; L63-V68 HydrophobicContact CD2-CG2 4.12Å; L63-V68 WeakPolarHBondContact O-CB 3.47Å; L63-V68 PolarHBondContact O-N 2.89Å; M66-V68 HydrophobicContact CB-CG2 4.39Å; V68-L70 HydrophobicContact CG1-CD2 3.88Å
69K95.3Very high92.7Very high85 Ų8528.9 Ų28.937%0.3716%0.156SC..EExtended strand (participates in β ladder)trans-89.4131.2172.2-60.3164.9-171.71590108K25 T26 L27K25-K69 PolarHBondContact O-N 2.69Å; T26-K69 CarbonylContact C-O 3.58Å; T26-K69 VanDerWaalsContact CA-O 3.28Å; T26-K69 WeakPolarHBondContact CA-O 3.26Å; T26-K69 HydrophobicContact CG2-CB 4Å; L27-K69 PolarHBondContact N-O 3.33Å
70L96.8Very high92Very high5 Ų535.7 Ų35.73%0.02619%0.187CC..EExtended strand (participates in β ladder)trans-113.6141.8-177.4-59.3176.8000110.6L27 V29 V60 L63 V68 F72 V130 P131L27-L70 HydrophobicContact CB-CD2 4.38Å; L27-L70 WeakPolarHBondContact O-CA 3.47Å; V29-L70 HydrophobicContact CG2-CD2 3.99Å; V60-L70 HydrophobicContact CG2-CD1 4.27Å; L63-L70 HydrophobicContact CB-CD1 3.89Å; L63-L70 HydrophobicContact CB-CD2 4.35Å; L63-L70 HydrophobicContact CB-CG 4.37Å; L63-L70 HydrophobicContact CD1-CD1 3.92Å; L63-L70 HydrophobicContact CD1-CD2 3.97Å; V68-L70 HydrophobicContact CG1-CD2 3.88Å; L70-F72 HydrophobicContact CB-CD2 4.48Å; L70-F72 HydrophobicContact CB-CE2 3.97Å; L70-F72 HydrophobicContact CD1-CE2 4.03Å; L70-F72 HydrophobicContact CD1-CZ 4.23Å; L70-V130 HydrophobicContact CB-CG1 4.27Å; L70-P131 WeakPolarHBondContact O-CD 3.42Å; L70-P131 WeakPolarHBondContact O-CG 3.37Å
71V97Very high91.2Very high2 Ų237.2 Ų37.21%0.01220%0.195CC..EExtended strand (participates in β ladder)trans-127.6119167.5-177.30000107.2T26 L27 A28 V29 P131 L146 V152 F348T26-V71 HydrophobicContact CG2-CG2 4.07Å; L27-V71 PolarHBondContact O-N 3.27Å; A28-V71 CarbonylContact C-O 3.58Å; A28-V71 VanDerWaalsContact CA-O 3.25Å; A28-V71 WeakPolarHBondContact CA-O 3.19Å; V29-V71 PolarHBondContact N-O 3.39Å; V71-P131 WeakPolarHBondContact CA-O 3.17Å; V71-P131 HydrophobicContact CG2-CG 4.02Å; V71-L146 HydrophobicContact CG1-CD1 4.28Å; V71-V152 HydrophobicContact CG2-CG1 4.29Å; V71-F348 HydrophobicContact CB-CE2 4.45Å; V71-F348 HydrophobicContact CG1-CD1 3.94Å; V71-F348 HydrophobicContact CG1-CD2 4.31Å; V71-F348 HydrophobicContact CG1-CE1 3.56Å; V71-F348 HydrophobicContact CG1-CE2 3.95Å; V71-F348 HydrophobicContact CG1-CG 4.3Å; V71-F348 HydrophobicContact CG1-CZ 3.57Å; V71-F348 HydrophobicContact CG2-CB 4.31Å; V71-F348 HydrophobicContact CG2-CD1 4.21Å; V71-F348 HydrophobicContact CG2-CD2 3.56Å; V71-F348 HydrophobicContact CG2-CE1 4.48Å; V71-F348 HydrophobicContact CG2-CE2 3.87Å; V71-F348 HydrophobicContact CG2-CG 3.75Å; V71-F348 HydrophobicContact CG2-CZ 4.33Å
72F97.2Very high90.4Very high1 Ų137.5 Ų37.50%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-88.3141.2178.9-76.4-94.1000111.3V29 L31 W34 L56 V60 L70 L125 V130 P131 W132 V133V29-F72 HydrophobicContact CB-CD1 3.81Å; V29-F72 HydrophobicContact CB-CE1 3.8Å; V29-F72 HydrophobicContact CB-CG 4.38Å; V29-F72 HydrophobicContact CB-CZ 4.34Å; V29-F72 HydrophobicContact CG1-CD1 3.94Å; V29-F72 HydrophobicContact CG1-CE1 3.6Å; V29-F72 HydrophobicContact CG1-CZ 4.35Å; V29-F72 HydrophobicContact CG2-CE1 4.35Å; V29-F72 HydrophobicContact CG2-CZ 4.42Å; L31-F72 HydrophobicContact CB-CD1 4.16Å; L31-F72 HydrophobicContact CD1-CD1 3.86Å; L31-F72 HydrophobicContact CD1-CE1 4.25Å; W34-F72 AromaticContact CE3-CE1 3.84Å; W34-F72 HydrophobicContact CE3-CE1 3.84Å; W34-F72 HydrophobicContact CE3-CZ 4.28Å; W34-F72 HydrophobicContact CH2-CZ 4.46Å; W34-F72 AromaticContact CZ3-CE1 3.76Å; W34-F72 HydrophobicContact CZ3-CE1 3.76Å; W34-F72 AromaticContact CZ3-CZ 3.75Å; W34-F72 HydrophobicContact CZ3-CZ 3.75Å; L56-F72 HydrophobicContact CD1-CD1 4.31Å; L56-F72 HydrophobicContact CD1-CE1 3.44Å; L56-F72 VanDerWaalsContact CD1-CE1 3.44Å; L56-F72 HydrophobicContact CD1-CE2 4.48Å; L56-F72 HydrophobicContact CD1-CZ 3.55Å; V60-F72 HydrophobicContact CG2-CE2 3.61Å; V60-F72 HydrophobicContact CG2-CZ 3.54Å; L70-F72 HydrophobicContact CB-CD2 4.48Å; L70-F72 HydrophobicContact CB-CE2 3.97Å; L70-F72 HydrophobicContact CD1-CE2 4.03Å; L70-F72 HydrophobicContact CD1-CZ 4.23Å; F72-L125 HydrophobicContact CB-CD1 3.59Å; F72-L125 HydrophobicContact CD1-CD1 4.14Å; F72-L125 HydrophobicContact CD2-CD1 3.61Å; F72-L125 HydrophobicContact CD2-CD2 3.63Å; F72-L125 HydrophobicContact CD2-CG 4.27Å; F72-L125 HydrophobicContact CE2-CD1 4.35Å; F72-L125 HydrophobicContact CE2-CD2 3.61Å; F72-L125 HydrophobicContact CG-CD1 3.48Å; F72-L125 VanDerWaalsContact CG-CD1 3.48Å; F72-L125 HydrophobicContact CG-CD2 4.28Å; F72-L125 HydrophobicContact CZ-CD2 4.24Å; F72-V130 HydrophobicContact CD2-CG1 3.82Å; F72-V130 HydrophobicContact CE2-CG1 3.94Å; F72-P131 PolarHBondContact N-O 3.46Å; F72-W132 HydrophobicContact CB-CB 3.9Å; F72-W132 CarbonylContact O-C 3.45Å; F72-W132 WeakPolarHBondContact O-CA 3.32Å; F72-W132 WeakPolarHBondContact O-CB 3.4Å; F72-V133 PolarHBondContact O-N 3.37Å
73V96.5Very high89.5Confident0 Ų037.7 Ų37.70%020%0.196CC..EExtended strand (participates in β ladder)trans-111.9119.6175.1-1780000108.4A28 V29 L31 V133 A135 A139 M142 C143 L146A28-V73 HydrophobicContact CB-CG2 4.4Å; V29-V73 PolarHBondContact O-N 3.37Å; L31-V73 VanDerWaalsContact CB-O 3.32Å; L31-V73 WeakPolarHBondContact CB-O 3.38Å; L31-V73 PolarHBondContact N-O 3.28Å; V73-V133 HydrophobicContact CB-CG2 4.46Å; V73-V133 HydrophobicContact CG1-CG2 4.46Å; V73-V133 HydrophobicContact CG2-CG2 3.94Å; V73-A135 HydrophobicContact CG1-CB 4.21Å; V73-A139 HydrophobicContact CB-CB 4.45Å; V73-A139 HydrophobicContact CG1-CB 3.82Å; V73-A139 WeakPolarHBondContact CG1-O 3.5Å; V73-M142 HydrophobicContact CG1-CB 3.68Å; V73-M142 HydrophobicContact CG1-CG 3.69Å; V73-M142 HydrophobicContact CG2-CG 4.25Å; V73-C143 VanDerWaalsContact CG2-SG 3.56Å; V73-L146 HydrophobicContact CG2-CD1 4.05Å
74M94Very high88.6Confident19 Ų1942.5 Ų42.59%0.09422%0.218CC..EExtended strand (participates in β ladder)trans-91.6134.7172.6-172.1-172.8-14300109L118 R119 W132 V133 T134 A135M74-L118 HydrophobicContact CE-CB 3.29Å; M74-L118 HydrophobicContact CE-CD1 4.49Å; M74-L118 HydrophobicContact CG-CB 4.37Å; M74-L118 HydrophobicContact CG-CD1 4.31Å; M74-R119 HydrophobicContact CE-CB 4.42Å; M74-R119 HydrophobicContact CE-CG 3.78Å; M74-W132 HydrophobicContact SD-CZ3 4.16Å; M74-V133 WeakPolarHBondContact CB-O 3.38Å; M74-V133 PolarHBondContact N-O 3.14Å; M74-T134 WeakPolarHBondContact O-CA 3.49Å; M74-A135 PolarHBondContact O-N 3.18Å
75E90.6Very high87.7Confident54 Ų5443.3 Ų43.325%0.25222%0.223SC..  trans-64141.2176.1-167.1179.4169.500111.7S32 A139S32-E75 WeakPolarHBondContact OG-CB 3.34Å; S32-E75 PolarHBondContact OG-OE2 2.91Å; S32-E75 VanDerWaalsContact OG-OE2 3.06Å; E75-A139 HydrophobicContact CB-CB 4.29Å
76G88.8Confident86.6Confident22 Ų2244.3 Ų44.323%0.22723%0.227CC..  trans-93.7-143.2175.600000112.5A135 G137G76-A135 VanDerWaalsContact CA-O 3.25Å; G76-A135 WeakPolarHBondContact CA-O 3.33Å; G76-G137 WeakPolarHBondContact CA-O 3.49Å; G76-G137 PolarHBondContact N-O 2.9Å
77E85.3Confident85.5Confident172 Ų17244.1 Ų44.180%0.80423%0.232SC*.PPolyproline II helixtrans-86.2117.4174.8-67.8-16816700110.7G137E77-G137 WeakPolarHBondContact O-CA 3.41Å
78A82.4Confident84.5Confident41 Ų4149.4 Ų49.434%0.33925%0.252SS..PPolyproline II helixtrans-54.6136177.500000111.5
79P82.3Confident83.1Confident13 Ų1353 Ų538%0.08427%0.266CS..PPolyproline II helixtrans-55.7146.5177.8-24.333.2000112.1L81 K82 S83 E138 Y213 E336P79-L81 PolarHBondContact O-N 3.47Å; P79-K82 PolarHBondContact O-N 2.7Å; P79-S83 PolarHBondContact O-N 3.06Å; P79-E138 VanDerWaalsContact CD-OE1 3.29Å; P79-E138 WeakPolarHBondContact CD-OE1 3.31Å; P79-Y213 HydrophobicContact CB-CE1 4.21Å; P79-Y213 HydrophobicContact CG-CE1 4.14Å; P79-E336 WeakPolarHBondContact CG-OE1 3.39Å
80K80.9Confident81.7Confident170 Ų17052.2 Ų52.274%0.73927%0.268SS*.Hα-helixtrans-50.8-46.2-178.4-69.4-176.1-180178.70112K82 S83 E84K80-K82 VanDerWaalsContact C-N 3.34Å; K80-K82 PolarHBondContact O-N 3.22Å; K80-S83 PolarHBondContact O-N 3.41Å; K80-S83 VanDerWaalsContact O-N 3.1Å; K80-S83 PolarHBondContact O-OG 3.36Å; K80-E84 WeakPolarHBondContact O-CG 3.42Å; K80-E84 PolarHBondContact O-N 2.98Å
81L79.1Confident80.4Confident31 Ų3158.3 Ų58.316%0.16230%0.297CS..Hα-helixtrans-52.2-47.6176.8-69.7168.6000113.1P79 T85 Y213 E332 I333P79-L81 PolarHBondContact O-N 3.47Å; L81-T85 VanDerWaalsContact O-CB 3.28Å; L81-T85 WeakPolarHBondContact O-CB 3.45Å; L81-T85 PolarHBondContact O-N 2.98Å; L81-T85 PolarHBondContact O-OG1 2.98Å; L81-Y213 HydrophobicContact CB-CD1 4Å; L81-E332 HydrophobicContact CD1-CB 3.85Å; L81-E332 WeakPolarHBondContact CD2-OE2 3.33Å; L81-I333 HydrophobicContact CD1-CG1 4.45Å
82K79.7Confident78.8Confident18 Ų1864.7 Ų64.78%0.07833%0.328CS..Hα-helixtrans-69.4-41.6178.6-166.7-179.8-176.2167.60110.9P79 K80 E84 T85 M86 E138 D212 Y213P79-K82 PolarHBondContact O-N 2.7Å; K80-K82 VanDerWaalsContact C-N 3.34Å; K80-K82 PolarHBondContact O-N 3.22Å; K82-E84 PolarHBondContact O-N 3.02Å; K82-T85 PolarHBondContact O-N 2.68Å; K82-M86 HydrophobicContact CG-CG 4.28Å; K82-M86 WeakPolarHBondContact O-CB 3.07Å; K82-M86 WeakPolarHBondContact O-CG 3.11Å; K82-M86 PolarHBondContact O-N 3.47Å; K82-E138 WeakPolarHBondContact CD-OE1 3.08Å; K82-E138 IonicContact NZ-OE1 2.67Å; K82-E138 PolarHBondContact NZ-OE1 3.33Å; K82-E138 VanDerWaalsContact NZ-OE1 3.1Å; K82-E138 IonicContact NZ-OE2 3.18Å; K82-E138 PolarHBondContact NZ-OE2 3.3Å; K82-D212 HydrophobicContact CG-CB 4.49Å; K82-D212 IonicContact NZ-OD2 3.37Å; K82-Y213 HydrophobicContact CB-CD1 4.08Å; K82-Y213 HydrophobicContact CB-CE1 3.81Å
83S74.1Confident77.1Confident39 Ų3972.4 Ų72.427%0.27336%0.357SS..Hα-helixtrans-62.2-40.6-178.779.10000113.1P79 K80 S87P79-S83 PolarHBondContact O-N 3.06Å; K80-S83 PolarHBondContact O-N 3.41Å; K80-S83 VanDerWaalsContact O-N 3.1Å; K80-S83 PolarHBondContact O-OG 3.36Å; S83-S87 WeakPolarHBondContact O-CB 3.07Å; S83-S87 PolarHBondContact O-N 3.25Å; S83-S87 VanDerWaalsContact O-N 3.1Å; S83-S87 PolarHBondContact O-OG 3.36Å
84E75.4Confident75.4Confident102 Ų10279.1 Ų79.148%0.47739%0.386SS..Hα-helixtrans-67.9-43.2176-71.3178.1-164.800111.1K80 K82 S87 K88K80-E84 WeakPolarHBondContact O-CG 3.42Å; K80-E84 PolarHBondContact O-N 2.98Å; K82-E84 PolarHBondContact O-N 3.02Å; E84-S87 PolarHBondContact O-N 3.42Å; E84-K88 WeakPolarHBondContact O-CG 3.48Å; E84-K88 PolarHBondContact O-N 3.32Å
85T74.9Confident73.5Confident17 Ų1781 Ų8110%0.10441%0.41CS..Hα-helixtrans-63.6-45.1-179.8-64.20000112L81 K82 S87 K88 R89 D212 P215L81-T85 VanDerWaalsContact O-CB 3.28Å; L81-T85 WeakPolarHBondContact O-CB 3.45Å; L81-T85 PolarHBondContact O-N 2.98Å; L81-T85 PolarHBondContact O-OG1 2.98Å; K82-T85 PolarHBondContact O-N 2.68Å; T85-S87 VanDerWaalsContact C-N 3.32Å; T85-S87 PolarHBondContact O-N 2.94Å; T85-K88 PolarHBondContact O-N 3.18Å; T85-R89 WeakPolarHBondContact O-CB 3.04Å; T85-R89 PolarHBondContact O-N 2.88Å; T85-D212 WeakPolarHBondContact CG2-O 3.34Å; T85-P215 HydrophobicContact CG2-CG 3.03Å
86M69.9Low71.7Confident75 Ų7582.5 Ų82.537%0.36944%0.44SS..Hα-helixtrans-64.7-35.7175.1-73.3-62.9-75.600112.4K82 R89 T90K82-M86 HydrophobicContact CG-CG 4.28Å; K82-M86 WeakPolarHBondContact O-CB 3.07Å; K82-M86 WeakPolarHBondContact O-CG 3.11Å; K82-M86 PolarHBondContact O-N 3.47Å; M86-R89 PolarHBondContact O-N 2.84Å; M86-T90 WeakPolarHBondContact O-CB 3.22Å; M86-T90 PolarHBondContact O-N 3.25Å; M86-T90 PolarHBondContact O-OG1 3.12Å
87S67.2Low69.8Low52 Ų5286.8 Ų86.836%0.36447%0.467SS..Hα-helixtrans-65.1-49.7175.3-58.70000110.9S83 E84 T85 R89 T90 E91S83-S87 WeakPolarHBondContact O-CB 3.07Å; S83-S87 PolarHBondContact O-N 3.25Å; S83-S87 VanDerWaalsContact O-N 3.1Å; S83-S87 PolarHBondContact O-OG 3.36Å; E84-S87 PolarHBondContact O-N 3.42Å; T85-S87 VanDerWaalsContact C-N 3.32Å; T85-S87 PolarHBondContact O-N 2.94Å; S87-R89 VanDerWaalsContact C-N 3.29Å; S87-R89 PolarHBondContact O-N 3.09Å; S87-T90 WeakPolarHBondContact O-CB 3.23Å; S87-T90 PolarHBondContact O-N 2.59Å; S87-T90 VanDerWaalsContact O-N 3.1Å; S87-E91 WeakPolarHBondContact O-CG 3.28Å; S87-E91 PolarHBondContact O-N 2.74Å
88K71.1Confident67.9Low119 Ų11986 Ų8652%0.51746%0.457SS..Hα-helixtrans-57.9-40175-70.5169.8-176.6167.40112.2E84 T85 E91 M92E84-K88 WeakPolarHBondContact O-CG 3.48Å; E84-K88 PolarHBondContact O-N 3.32Å; T85-K88 PolarHBondContact O-N 3.18Å; K88-E91 PolarHBondContact O-N 3.19Å; K88-M92 WeakPolarHBondContact O-CG 3.47Å; K88-M92 PolarHBondContact O-N 2.97Å
89R67.5Low65.9Low77 Ų7793.8 Ų93.829%0.29148%0.483SS..Hα-helixtrans-64.2-40.8176.5-171.4-179.6-171.7175.75.6112.2T85 M86 S87 R93T85-R89 WeakPolarHBondContact O-CB 3.04Å; T85-R89 PolarHBondContact O-N 2.88Å; M86-R89 PolarHBondContact O-N 2.84Å; S87-R89 VanDerWaalsContact C-N 3.29Å; S87-R89 PolarHBondContact O-N 3.09Å; R89-R93 VanDerWaalsContact NH2-NH2 3.13Å; R89-R93 WeakPolarHBondContact O-CB 3.21Å; R89-R93 WeakPolarHBondContact O-CG 3.45Å; R89-R93 PolarHBondContact O-N 3.21Å; R89-R93 VanDerWaalsContact O-N 3.12Å
90T64Low63.9Low67 Ų6797.6 Ų97.641%0.41152%0.515SS..Hα-helixtrans-67.5-43.2177.9-54.70000110.6M86 S87 R93 F94M86-T90 WeakPolarHBondContact O-CB 3.22Å; M86-T90 PolarHBondContact O-N 3.25Å; M86-T90 PolarHBondContact O-OG1 3.12Å; S87-T90 WeakPolarHBondContact O-CB 3.23Å; S87-T90 PolarHBondContact O-N 2.59Å; S87-T90 VanDerWaalsContact O-N 3.1Å; T90-R93 PolarHBondContact O-N 3.45Å; T90-F94 HydrophobicContact CG2-CD2 3.84Å; T90-F94 HydrophobicContact CG2-CE2 4.38Å; T90-F94 WeakPolarHBondContact O-CD2 3.26Å; T90-F94 PolarHBondContact O-N 3.4Å
91E69.7Low61.9Low134 Ų13498.2 Ų98.263%0.62652%0.521SS*.Hα-helixtrans-61.2-44.9175.7-72.9172.5-17500112.3S87 K88 R93 G95S87-E91 WeakPolarHBondContact O-CG 3.28Å; S87-E91 PolarHBondContact O-N 2.74Å; K88-E91 PolarHBondContact O-N 3.19Å; E91-R93 VanDerWaalsContact C-N 3.33Å; E91-R93 PolarHBondContact O-N 3.19Å; E91-G95 WeakPolarHBondContact O-CA 3.49Å; E91-G95 PolarHBondContact O-N 3.22Å
92M64.4Low59.9Low135 Ų135100.5 Ų100.567%0.66554%0.539SS*.Hα-helixtrans-64.6-34.8176.5-74.3-171.3-7000113.1K88K88-M92 WeakPolarHBondContact O-CG 3.47Å; K88-M92 PolarHBondContact O-N 2.97Å
93R62.2Low57.9Low164 Ų164103.1 Ų103.162%0.61956%0.56SS**Hα-helixtrans-78.3-34.3-179.3-78180171.9-175.6-5.5113.6R89 T90 E91R89-R93 VanDerWaalsContact NH2-NH2 3.13Å; R89-R93 WeakPolarHBondContact O-CB 3.21Å; R89-R93 WeakPolarHBondContact O-CG 3.45Å; R89-R93 PolarHBondContact O-N 3.21Å; R89-R93 VanDerWaalsContact O-N 3.12Å; T90-R93 PolarHBondContact O-N 3.45Å; E91-R93 VanDerWaalsContact C-N 3.33Å; E91-R93 PolarHBondContact O-N 3.19Å
94F60.6Low56.1Low140 Ų140112.1 Ų112.161%0.61459%0.594SS**Hα-helixtrans-120-5.4-170.3-61.1-74.4000114.5T90 G96T90-F94 HydrophobicContact CG2-CD2 3.84Å; T90-F94 HydrophobicContact CG2-CE2 4.38Å; T90-F94 WeakPolarHBondContact O-CD2 3.26Å; T90-F94 PolarHBondContact O-N 3.4Å; F94-G96 VanDerWaalsContact C-N 3.28Å; F94-G96 PolarHBondContact O-N 3.35Å
95G54.2Low54.3Low58 Ų58110.5 Ų110.560%0.59859%0.594SS**THydrogen-bonded Turntrans-68.8-18.9-176.600000115.1E91E91-G95 WeakPolarHBondContact O-CA 3.49Å; E91-G95 PolarHBondContact O-N 3.22Å
96G51.7Low52.8Low86 Ų86112.2 Ų112.289%0.88761%0.607SS**THydrogen-bonded Turntrans-83.6-10.3-179.600000116F94F94-G96 VanDerWaalsContact C-N 3.28Å; F94-G96 PolarHBondContact O-N 3.35Å
97S48.2Very low51.6Low112 Ų112113.2 Ų113.278%0.78362%0.617SS**SBendtrans-123.39.1-168.2-1510000115.5K99S97-K99 PolarHBondContact O-N 2.97Å
98R46.8Very low50.7Low157 Ų157115.6 Ų115.659%0.59263%0.63SS**  trans-9187172.5-80.3-176.9142.4153.2-3.5111A100R98-A100 PolarHBondContact O-N 3.13Å
99K39.3Very low49.9Very low203 Ų203113.1 Ų113.188%0.88362%0.624SS**  trans-52.3129.1147.8-90.3-175.9177.1177.90106.9S97 H101S97-K99 PolarHBondContact O-N 2.97Å; K99-H101 PolarHBondContact O-N 3.46Å
100A40.4Very low49.8Very low93 Ų93113.3 Ų113.377%0.76964%0.638SS**SBendtrans-60.988.1-173.200000111.5R98R98-A100 PolarHBondContact O-N 3.13Å
101H40.4Very low50.1Low184 Ų184116.9 Ų116.985%0.85264%0.643SS**  trans-167.385.9156.2-103.140.7000108.7K99K99-H101 PolarHBondContact O-N 3.46Å
102S35.6Very low50.5Low78 Ų78112.2 Ų112.255%0.54563%0.632SS.*SBendtrans172.6111.4148.144.90000111.9
103S37.7Very low51.3Low74 Ų74114.4 Ų114.452%0.51763%0.632SS.*  trans39.7108.6149.163.70000119.4S105S103-S105 PolarHBondContact O-N 3.16Å
104K37Very low52.3Low227 Ų227108.2 Ų108.299%0.98761%0.61SS**THydrogen-bonded Turntrans-65.324.3163.1-74.3179.3173.31760114.8
105S38.2Very low53.6Low69 Ų69104.5 Ų104.548%0.48360%0.597SS.*THydrogen-bonded Turntrans-124.110.1-174.9780000117S103 T109S103-S105 PolarHBondContact O-N 3.16Å; S105-T109 PolarHBondContact O-OG1 2.94Å
106S42.9Very low55.2Low53 Ų53103.4 Ų103.437%0.37158%0.582SS.*Hα-helixtrans-84.8-17.1-166.966.90000117.7
107T44.9Very low57.1Low96 Ų96100.5 Ų100.559%0.58955%0.547SS*.Hα-helixtrans-84.3-40.3-174.945.80000113.8T109 S110T107-T109 VanDerWaalsContact C-N 3.34Å; T107-S110 PolarHBondContact O-N 3.33Å
108T49Very low59.2Low102 Ų10295.2 Ų95.263%0.62651%0.51SS*.Hα-helixtrans-66.1-35.6175.222.10000112.4S110 G112T108-S110 PolarHBondContact O-N 2.9Å; T108-G112 PolarHBondContact O-N 2.99Å; T108-G112 VanDerWaalsContact O-N 3.08Å
109T53Low61.4Low66 Ų6694.5 Ų94.541%0.40551%0.507SS..Hα-helixtrans-68.6-32.4-179.6-45.90000112.5S105 T107 R113S105-T109 PolarHBondContact O-OG1 2.94Å; T107-T109 VanDerWaalsContact C-N 3.34Å; T109-R113 WeakPolarHBondContact O-CB 3.41Å; T109-R113 VanDerWaalsContact O-CG 3.24Å; T109-R113 WeakPolarHBondContact O-CG 3.49Å; T109-R113 PolarHBondContact O-N 3.26Å; T109-R113 VanDerWaalsContact O-N 3.12Å
110S65.3Low64.1Low81 Ų8186.6 Ų86.657%0.56647%0.474SS*.Hα-helixtrans-71.3-46.6179-174.50000112.4T107 T108 R113 F114T107-S110 PolarHBondContact O-N 3.33Å; T108-S110 PolarHBondContact O-N 2.9Å; S110-R113 WeakPolarHBondContact O-CB 3.4Å; S110-R113 PolarHBondContact O-N 3.03Å; S110-F114 PolarHBondContact O-N 3.07Å
111R70.6Confident66.7Low142 Ų14282.2 Ų82.254%0.53644%0.437SS..Hα-helixtrans-66.6-40.1176.8-117.3-173.6-82.7133.7-9.1112.2R113 F114 N115R111-R113 VanDerWaalsContact C-N 3.31Å; R111-R113 PolarHBondContact O-N 2.93Å; R111-F114 PolarHBondContact O-N 3.01Å; R111-N115 PolarHBondContact O-N 2.94Å
112G78.6Confident69.4Low37 Ų3773.6 Ų73.638%0.38140%0.398SS..Hα-helixtrans-60.5-39.8174.200000112.9T108 A116T108-G112 PolarHBondContact O-N 2.99Å; T108-G112 VanDerWaalsContact O-N 3.08Å; G112-A116 PolarHBondContact O-N 3.37Å
113R80.7Confident72.3Confident180 Ų18073.2 Ų73.268%0.67939%0.387SS*.Hα-helixtrans-64.8-44.8173.1-80.7175.3152.5145.1-2.3112.4T109 S110 R111 A116 V117T109-R113 WeakPolarHBondContact O-CB 3.41Å; T109-R113 VanDerWaalsContact O-CG 3.24Å; T109-R113 WeakPolarHBondContact O-CG 3.49Å; T109-R113 PolarHBondContact O-N 3.26Å; T109-R113 VanDerWaalsContact O-N 3.12Å; S110-R113 WeakPolarHBondContact O-CB 3.4Å; S110-R113 PolarHBondContact O-N 3.03Å; R111-R113 VanDerWaalsContact C-N 3.31Å; R111-R113 PolarHBondContact O-N 2.93Å; R113-A116 WeakPolarHBondContact O-CB 3.34Å; R113-A116 PolarHBondContact O-N 2.92Å; R113-V117 WeakPolarHBondContact O-CG2 3.44Å; R113-V117 PolarHBondContact O-N 3.38Å
114F84.3Confident75.1Confident35 Ų3569.7 Ų69.715%0.15436%0.363CS..Hα-helixtrans-61-45.6176.6-174.4-107.1000111.8V35 C36 S110 R111 A116 V117 L118V35-F114 HydrophobicContact CB-CE2 4.33Å; V35-F114 HydrophobicContact CG1-CD2 4.45Å; V35-F114 HydrophobicContact CG1-CE2 3.8Å; C36-F114 VanDerWaalsContact SG-CE2 3.58Å; S110-F114 PolarHBondContact O-N 3.07Å; R111-F114 PolarHBondContact O-N 3.01Å; F114-A116 VanDerWaalsContact C-N 3.26Å; F114-A116 PolarHBondContact O-N 3.24Å; F114-V117 WeakPolarHBondContact O-CA 3.2Å; F114-V117 WeakPolarHBondContact O-CB 3.43Å; F114-V117 PolarHBondContact O-N 3.3Å; F114-L118 HydrophobicContact CD1-CD1 3.88Å; F114-L118 HydrophobicContact CD1-CG 4.21Å; F114-L118 HydrophobicContact CE1-CD1 3.56Å; F114-L118 HydrophobicContact CE1-CD2 4.23Å; F114-L118 HydrophobicContact CE1-CG 3.93Å; F114-L118 HydrophobicContact CZ-CD1 4.28Å; F114-L118 HydrophobicContact CZ-CD2 4.12Å; F114-L118 HydrophobicContact CZ-CG 4.25Å; F114-L118 PolarHBondContact O-N 3.25Å
115N86.4Confident78Confident61 Ų6158.9 Ų58.933%0.32632%0.316SS..Hα-helixtrans-63.3-31.8176.1-70.2-3.4000112.5R111 R119R111-N115 PolarHBondContact O-N 2.94Å; N115-R119 WeakPolarHBondContact O-CG 3.35Å; N115-R119 PolarHBondContact O-N 3.29Å
116A89.1Confident80.8Confident35 Ų3558.2 Ų58.229%0.28931%0.307SS..Hα-helixtrans-65.5-43.2172.100000111.5G112 R113 F114 R119 E120G112-A116 PolarHBondContact O-N 3.37Å; R113-A116 WeakPolarHBondContact O-CB 3.34Å; R113-A116 PolarHBondContact O-N 2.92Å; F114-A116 VanDerWaalsContact C-N 3.26Å; F114-A116 PolarHBondContact O-N 3.24Å; A116-R119 PolarHBondContact O-N 3.21Å; A116-E120 WeakPolarHBondContact O-CG 3.43Å; A116-E120 PolarHBondContact O-N 3.24Å
117V91.1Very high83.4Confident25 Ų2558 Ų5815%0.15230%0.298CS..Hα-helixtrans-61.6-43.9174.7174.70000111.4V35 H52 R113 F114 R119 E120 C121V35-V117 HydrophobicContact CG1-CG1 3.51Å; H52-V117 VanDerWaalsContact CD2-CG1 3.42Å; H52-V117 WeakPolarHBondContact CD2-CG1 3.18Å; R113-V117 WeakPolarHBondContact O-CG2 3.44Å; R113-V117 PolarHBondContact O-N 3.38Å; F114-V117 WeakPolarHBondContact O-CA 3.2Å; F114-V117 WeakPolarHBondContact O-CB 3.43Å; F114-V117 PolarHBondContact O-N 3.3Å; V117-R119 VanDerWaalsContact C-N 3.3Å; V117-R119 PolarHBondContact O-N 3.32Å; V117-E120 PolarHBondContact O-N 3.34Å; V117-C121 PolarHBondContact O-N 2.95Å; V117-C121 PolarHBondContact O-SG 3.42Å
118L92.1Very high85.8Confident1 Ų153.5 Ų53.51%0.00527%0.27CS..Hα-helixtrans-61.1-39.1175.8-66.9178.4000111.9L31 V35 M74 F114 C121 A122L31-L118 HydrophobicContact CD2-CD2 4.23Å; L31-L118 HydrophobicContact CG-CD2 3.98Å; V35-L118 HydrophobicContact CB-CD2 4.29Å; V35-L118 HydrophobicContact CG2-CD2 3.91Å; M74-L118 HydrophobicContact CE-CB 3.29Å; M74-L118 HydrophobicContact CE-CD1 4.49Å; M74-L118 HydrophobicContact CG-CB 4.37Å; M74-L118 HydrophobicContact CG-CD1 4.31Å; F114-L118 HydrophobicContact CD1-CD1 3.88Å; F114-L118 HydrophobicContact CD1-CG 4.21Å; F114-L118 HydrophobicContact CE1-CD1 3.56Å; F114-L118 HydrophobicContact CE1-CD2 4.23Å; F114-L118 HydrophobicContact CE1-CG 3.93Å; F114-L118 HydrophobicContact CZ-CD1 4.28Å; F114-L118 HydrophobicContact CZ-CD2 4.12Å; F114-L118 HydrophobicContact CZ-CG 4.25Å; F114-L118 PolarHBondContact O-N 3.25Å; L118-C121 WeakPolarHBondContact O-CB 3.19Å; L118-C121 PolarHBondContact O-N 3.26Å; L118-A122 PolarHBondContact O-N 3.46Å
119R93.8Very high88Confident142 Ų14248.7 Ų48.754%0.53624%0.241SC..Hα-helixtrans-65.1-39.7175.6-77.6-172.4-63.6-88.80.7112.5M74 N115 A116 V117 C121 A122 E123M74-R119 HydrophobicContact CE-CB 4.42Å; M74-R119 HydrophobicContact CE-CG 3.78Å; N115-R119 WeakPolarHBondContact O-CG 3.35Å; N115-R119 PolarHBondContact O-N 3.29Å; A116-R119 PolarHBondContact O-N 3.21Å; V117-R119 VanDerWaalsContact C-N 3.3Å; V117-R119 PolarHBondContact O-N 3.32Å; R119-C121 VanDerWaalsContact C-N 3.3Å; R119-C121 PolarHBondContact O-N 3.31Å; R119-A122 PolarHBondContact O-N 2.92Å; R119-E123 WeakPolarHBondContact O-CB 3.31Å; R119-E123 PolarHBondContact O-N 3.39Å
120E94.8Very high90Very high38 Ų3845.6 Ų45.618%0.17822%0.222CC..Hα-helixtrans-61.8-40173.4-68.4-179.8166.800111.4K50 L53 A116 V117 M124 F361K50-E120 IonicContact NZ-OE1 3.95Å; K50-E120 PolarHBondContact NZ-OE1 2.77Å; K50-E120 IonicContact NZ-OE2 3.55Å; K50-E120 PolarHBondContact NZ-OE2 2.96Å; L53-E120 HydrophobicContact CD2-CB 4.31Å; A116-E120 WeakPolarHBondContact O-CG 3.43Å; A116-E120 PolarHBondContact O-N 3.24Å; V117-E120 PolarHBondContact O-N 3.34Å; E120-M124 PolarHBondContact O-N 3.47Å; E120-M124 VanDerWaalsContact O-N 3.12Å; E120-F361 WeakPolarHBondContact O-CZ 3.46Å
121C96.2Very high91.5Very high0 Ų043 Ų430%020%0.203CC..Hα-helixtrans-62.7-45.2173.1-71.30000112L31 L56 V117 L118 R119 M124 L125L31-C121 HydrophobicContact CD1-CB 4.02Å; L31-C121 HydrophobicContact CD2-CB 3.93Å; L31-C121 HydrophobicContact CG-CB 4.39Å; L56-C121 HydrophobicContact CD2-CB 3.54Å; V117-C121 PolarHBondContact O-N 2.95Å; V117-C121 PolarHBondContact O-SG 3.42Å; L118-C121 WeakPolarHBondContact O-CB 3.19Å; L118-C121 PolarHBondContact O-N 3.26Å; R119-C121 VanDerWaalsContact C-N 3.3Å; R119-C121 PolarHBondContact O-N 3.31Å; C121-M124 WeakPolarHBondContact O-CB 3.39Å; C121-M124 PolarHBondContact O-N 2.92Å; C121-L125 WeakPolarHBondContact O-CG 3.34Å; C121-L125 PolarHBondContact O-N 2.97Å
122A96Very high92.7Very high3 Ų340 Ų403%0.02519%0.192CC..Hα-helixtrans-61.9-42.317800000112.2L118 R119 M124 L125 D126 W132L118-A122 PolarHBondContact O-N 3.46Å; R119-A122 PolarHBondContact O-N 2.92Å; A122-M124 VanDerWaalsContact C-N 3.34Å; A122-M124 PolarHBondContact O-N 3.13Å; A122-L125 WeakPolarHBondContact O-CB 3.5Å; A122-L125 PolarHBondContact O-N 2.93Å; A122-L125 VanDerWaalsContact O-N 3.1Å; A122-D126 PolarHBondContact O-N 3.26Å; A122-W132 HydrophobicContact CB-CD2 3.98Å; A122-W132 HydrophobicContact CB-CE3 4.32Å; A122-W132 HydrophobicContact CB-CG 4.48Å; A122-W132 HydrophobicContact CB-CH2 4.29Å; A122-W132 HydrophobicContact CB-CZ2 3.93Å; A122-W132 HydrophobicContact CB-CZ3 4.46Å
123E96.8Very high93.5Very high70 Ų7039.1 Ų39.133%0.32718%0.179SC..Hα-helixtrans-59.2-43.7174.9-174.6-175-177.300111.7R119 L125 D126 Y127 F361R119-E123 WeakPolarHBondContact O-CB 3.31Å; R119-E123 PolarHBondContact O-N 3.39Å; E123-L125 VanDerWaalsContact C-N 3.35Å; E123-L125 PolarHBondContact O-N 3.27Å; E123-D126 WeakPolarHBondContact O-CB 3.44Å; E123-D126 PolarHBondContact O-N 3.06Å; E123-Y127 HydrophobicContact CG-CD2 4.36Å; E123-Y127 HydrophobicContact CG-CE1 4.39Å; E123-Y127 HydrophobicContact CG-CE2 3.52Å; E123-Y127 WeakPolarHBondContact CG-OH 3.49Å; E123-Y127 WeakPolarHBondContact O-CD2 3.4Å; E123-Y127 PolarHBondContact O-N 3.12Å; E123-Y127 VanDerWaalsContact O-N 3.12Å; E123-Y127 PolarHBondContact OE1-OH 3.14Å; E123-F361 HydrophobicContact CB-CE2 4.34Å; E123-F361 HydrophobicContact CG-CD2 4.32Å; E123-F361 HydrophobicContact CG-CE2 4.22Å
124M97.5Very high94.1Very high0 Ų034.2 Ų34.20%017%0.17CC..Hα-helixtrans-62.2-41.3173.5-175.6176.754.700112.1L53 L56 F57 E120 C121 A122 D126 Y127 L128 M358 F361L53-M124 HydrophobicContact CB-CE 4.33Å; L53-M124 HydrophobicContact CB-SD 4.41Å; L53-M124 HydrophobicContact CD2-CE 3.92Å; L53-M124 HydrophobicContact CD2-SD 4.42Å; L53-M124 WeakPolarHBondContact O-CE 3.37Å; L56-M124 HydrophobicContact CB-CE 3.78Å; L56-M124 HydrophobicContact CD2-CE 3.39Å; L56-M124 HydrophobicContact CG-CE 3.55Å; F57-M124 HydrophobicContact CB-SD 4.08Å; E120-M124 PolarHBondContact O-N 3.47Å; E120-M124 VanDerWaalsContact O-N 3.12Å; C121-M124 WeakPolarHBondContact O-CB 3.39Å; C121-M124 PolarHBondContact O-N 2.92Å; A122-M124 VanDerWaalsContact C-N 3.34Å; A122-M124 PolarHBondContact O-N 3.13Å; M124-D126 VanDerWaalsContact C-N 3.3Å; M124-D126 PolarHBondContact O-N 3.42Å; M124-Y127 PolarHBondContact O-N 3.39Å; M124-L128 HydrophobicContact CG-CD1 4.13Å; M124-L128 HydrophobicContact CG-CG 4.45Å; M124-L128 VanDerWaalsContact O-CG 3.31Å; M124-L128 WeakPolarHBondContact O-CG 3.42Å; M124-L128 PolarHBondContact O-N 2.84Å; M124-M358 HydrophobicContact CG-CE 3.88Å; M124-M358 HydrophobicContact CG-SD 3.94Å; M124-M358 HydrophobicContact SD-CE 3.94Å; M124-F361 HydrophobicContact CB-CD1 4.33Å; M124-F361 HydrophobicContact CB-CE1 3.68Å; M124-F361 HydrophobicContact CB-CZ 3.89Å; M124-F361 HydrophobicContact CG-CD1 4.38Å; M124-F361 HydrophobicContact CG-CE1 3.97Å; M124-F361 HydrophobicContact SD-CE1 4.1Å
125L97.2Very high94.5Very high0 Ų032.8 Ų32.80%016%0.164CC..Hα-helixtrans-62.4-38.2176.6-67171.1000111.6L56 V60 F72 C121 A122 E123 Y127 L128 G129 V130 W132L56-L125 HydrophobicContact CD1-CD2 4.43Å; L56-L125 HydrophobicContact CD2-CG 4.47Å; V60-L125 HydrophobicContact CG2-CD2 3.85Å; F72-L125 HydrophobicContact CB-CD1 3.59Å; F72-L125 HydrophobicContact CD1-CD1 4.14Å; F72-L125 HydrophobicContact CD2-CD1 3.61Å; F72-L125 HydrophobicContact CD2-CD2 3.63Å; F72-L125 HydrophobicContact CD2-CG 4.27Å; F72-L125 HydrophobicContact CE2-CD1 4.35Å; F72-L125 HydrophobicContact CE2-CD2 3.61Å; F72-L125 HydrophobicContact CG-CD1 3.48Å; F72-L125 VanDerWaalsContact CG-CD1 3.48Å; F72-L125 HydrophobicContact CG-CD2 4.28Å; F72-L125 HydrophobicContact CZ-CD2 4.24Å; C121-L125 WeakPolarHBondContact O-CG 3.34Å; C121-L125 PolarHBondContact O-N 2.97Å; A122-L125 WeakPolarHBondContact O-CB 3.5Å; A122-L125 PolarHBondContact O-N 2.93Å; A122-L125 VanDerWaalsContact O-N 3.1Å; E123-L125 VanDerWaalsContact C-N 3.35Å; E123-L125 PolarHBondContact O-N 3.27Å; L125-Y127 PolarHBondContact O-N 2.93Å; L125-L128 CarbonylContact O-C 3.33Å; L125-L128 PolarHBondContact O-N 3.24Å; L125-G129 PolarHBondContact O-N 3.43Å; L125-V130 HydrophobicContact CB-CB 4.41Å; L125-V130 HydrophobicContact CD2-CB 4.07Å; L125-V130 HydrophobicContact CD2-CG1 4.1Å; L125-V130 PolarHBondContact O-N 2.94Å; L125-W132 HydrophobicContact CD1-CB 4.23Å
126D96.4Very high94.8Very high56 Ų5632.4 Ų32.430%0.29917%0.169SC..Hα-helixtrans-59.4-45.6173.3-81.2-49.7000111.7A122 E123 M124 L128 G129 W132 R351A122-D126 PolarHBondContact O-N 3.26Å; E123-D126 WeakPolarHBondContact O-CB 3.44Å; E123-D126 PolarHBondContact O-N 3.06Å; M124-D126 VanDerWaalsContact C-N 3.3Å; M124-D126 PolarHBondContact O-N 3.42Å; D126-L128 VanDerWaalsContact C-N 3.33Å; D126-L128 PolarHBondContact O-N 3.31Å; D126-G129 PolarHBondContact O-N 2.91Å; D126-G129 VanDerWaalsContact O-N 3.07Å; D126-W132 VanDerWaalsContact CG-NE1 3.33Å; D126-W132 PolarHBondContact OD1-NE1 2.94Å; D126-W132 PolarHBondContact OD2-NE1 3.15Å; D126-R351 IonicContact OD1-CZ 3.87Å; D126-R351 IonicContact OD1-NH2 2.65Å; D126-R351 PolarHBondContact OD1-NH2 3.47Å
127Y96.9Very high94.8Very high47 Ų4731 Ų3118%0.18416%0.158CC..Hα-helixtrans-67.6-30.5176.9-58.3-28.3000113.3E123 M124 L125 G129 P353 N354 L357 F361E123-Y127 HydrophobicContact CG-CD2 4.36Å; E123-Y127 HydrophobicContact CG-CE1 4.39Å; E123-Y127 HydrophobicContact CG-CE2 3.52Å; E123-Y127 WeakPolarHBondContact CG-OH 3.49Å; E123-Y127 WeakPolarHBondContact O-CD2 3.4Å; E123-Y127 PolarHBondContact O-N 3.12Å; E123-Y127 VanDerWaalsContact O-N 3.12Å; E123-Y127 PolarHBondContact OE1-OH 3.14Å; M124-Y127 PolarHBondContact O-N 3.39Å; L125-Y127 PolarHBondContact O-N 2.93Å; Y127-G129 PolarHBondContact O-N 3.37Å; Y127-P353 CarbonylContact O-C 3.45Å; Y127-P353 WeakPolarHBondContact O-CA 3.48Å; Y127-N354 PolarHBondContact O-N 3.14Å; Y127-L357 HydrophobicContact CD1-CB 3.54Å; Y127-L357 HydrophobicContact CD1-CD1 3.75Å; Y127-L357 HydrophobicContact CD1-CG 4.27Å; Y127-L357 HydrophobicContact CD2-CB 4.29Å; Y127-L357 HydrophobicContact CE1-CB 3.71Å; Y127-L357 HydrophobicContact CE1-CD1 3.64Å; Y127-L357 HydrophobicContact CE1-CG 4.17Å; Y127-L357 HydrophobicContact CE2-CB 4.42Å; Y127-L357 HydrophobicContact CG-CB 3.87Å; Y127-F361 HydrophobicContact CD2-CB 3.84Å; Y127-F361 HydrophobicContact CD2-CD2 4.25Å; Y127-F361 HydrophobicContact CD2-CG 4.03Å; Y127-F361 HydrophobicContact CE2-CB 3.72Å; Y127-F361 AromaticContact CE2-CD2 3.75Å; Y127-F361 HydrophobicContact CE2-CD2 3.75Å; Y127-F361 AromaticContact CE2-CG 3.92Å; Y127-F361 HydrophobicContact CE2-CG 3.92Å
128L96.5Very high94.9Very high2 Ų230.4 Ų30.41%0.0115%0.154CC..THydrogen-bonded Turntrans-80.5-5.2172.6-63.3176.1000113.2F57 V60 M124 L125 D126 V130 M358 L380F57-L128 HydrophobicContact CD2-CD1 4.05Å; F57-L128 HydrophobicContact CD2-CD2 4.12Å; F57-L128 HydrophobicContact CE2-CD2 3.82Å; V60-L128 HydrophobicContact CB-CD1 4.5Å; V60-L128 HydrophobicContact CG1-CD1 4.06Å; M124-L128 HydrophobicContact CG-CD1 4.13Å; M124-L128 HydrophobicContact CG-CG 4.45Å; M124-L128 VanDerWaalsContact O-CG 3.31Å; M124-L128 WeakPolarHBondContact O-CG 3.42Å; M124-L128 PolarHBondContact O-N 2.84Å; L125-L128 CarbonylContact O-C 3.33Å; L125-L128 PolarHBondContact O-N 3.24Å; D126-L128 VanDerWaalsContact C-N 3.33Å; D126-L128 PolarHBondContact O-N 3.31Å; L128-V130 VanDerWaalsContact C-N 3.27Å; L128-V130 HydrophobicContact CB-CG2 4.12Å; L128-V130 PolarHBondContact O-N 3.36Å; L128-M358 HydrophobicContact CD2-CG 4.43Å; L128-M358 HydrophobicContact CD2-SD 4.14Å; L128-M358 HydrophobicContact CG-SD 4.41Å; L128-L380 HydrophobicContact CD2-CD1 3.97Å
129G94.4Very high95Very high1 Ų130.4 Ų30.41%0.0115%0.154CC..THydrogen-bonded Turntrans7021.7-178.300000114.3L125 D126 Y127 R350 R351L125-G129 PolarHBondContact O-N 3.43Å; D126-G129 PolarHBondContact O-N 2.91Å; D126-G129 VanDerWaalsContact O-N 3.07Å; Y127-G129 PolarHBondContact O-N 3.37Å; G129-R350 WeakPolarHBondContact O-CG 3.31Å; G129-R351 PolarHBondContact O-N 3.3Å
130V95.9Very high95Very high2 Ų223.9 Ų23.91%0.01213%0.13CC..  trans-92.9127.8179.5179.70000109.7V60 L70 F72 L125 L128V60-V130 HydrophobicContact CG1-CG2 3.72Å; L70-V130 HydrophobicContact CB-CG1 4.27Å; F72-V130 HydrophobicContact CD2-CG1 3.82Å; F72-V130 HydrophobicContact CE2-CG1 3.94Å; L125-V130 HydrophobicContact CB-CB 4.41Å; L125-V130 HydrophobicContact CD2-CB 4.07Å; L125-V130 HydrophobicContact CD2-CG1 4.1Å; L125-V130 PolarHBondContact O-N 2.94Å; L128-V130 VanDerWaalsContact C-N 3.27Å; L128-V130 HydrophobicContact CB-CG2 4.12Å; L128-V130 PolarHBondContact O-N 3.36Å
131P95.8Very high95Very high25 Ų2522.8 Ų22.816%0.16213%0.127CC..  trans-69144.8-17929.4-35.7000111.8L70 V71 F72 F348L70-P131 WeakPolarHBondContact O-CD 3.42Å; L70-P131 WeakPolarHBondContact O-CG 3.37Å; V71-P131 WeakPolarHBondContact CA-O 3.17Å; V71-P131 HydrophobicContact CG2-CG 4.02Å; F72-P131 PolarHBondContact N-O 3.46Å; P131-F348 HydrophobicContact CB-CB 4.13Å; P131-F348 HydrophobicContact CB-CD1 3.87Å; P131-F348 HydrophobicContact CB-CG 4.33Å; P131-F348 HydrophobicContact CG-CB 4.02Å; P131-F348 HydrophobicContact CG-CD1 4.4Å; P131-F348 HydrophobicContact CG-CG 4.42Å
132W95.8Very high95Very high80 Ų8023 Ų2330%0.30313%0.128SC..EExtended strand (participates in β ladder)trans-142.5157.8172.164.6-90.3000110.6F72 M74 A122 L125 D126 T134F72-W132 HydrophobicContact CB-CB 3.9Å; F72-W132 CarbonylContact O-C 3.45Å; F72-W132 WeakPolarHBondContact O-CA 3.32Å; F72-W132 WeakPolarHBondContact O-CB 3.4Å; M74-W132 HydrophobicContact SD-CZ3 4.16Å; A122-W132 HydrophobicContact CB-CD2 3.98Å; A122-W132 HydrophobicContact CB-CE3 4.32Å; A122-W132 HydrophobicContact CB-CG 4.48Å; A122-W132 HydrophobicContact CB-CH2 4.29Å; A122-W132 HydrophobicContact CB-CZ2 3.93Å; A122-W132 HydrophobicContact CB-CZ3 4.46Å; L125-W132 HydrophobicContact CD1-CB 4.23Å; D126-W132 VanDerWaalsContact CG-NE1 3.33Å; D126-W132 PolarHBondContact OD1-NE1 2.94Å; D126-W132 PolarHBondContact OD2-NE1 3.15Å; W132-T134 WeakPolarHBondContact CZ3-OG1 3.35Å
133V95.1Very high95Very high19 Ų1922.9 Ų22.912%0.11513%0.127CC..EExtended strand (participates in β ladder)trans-135.9158.6179-64.40000110.4F72 V73 M74 M142 L146 V345 F348F72-V133 PolarHBondContact O-N 3.37Å; V73-V133 HydrophobicContact CB-CG2 4.46Å; V73-V133 HydrophobicContact CG1-CG2 4.46Å; V73-V133 HydrophobicContact CG2-CG2 3.94Å; M74-V133 WeakPolarHBondContact CB-O 3.38Å; M74-V133 PolarHBondContact N-O 3.14Å; V133-M142 HydrophobicContact CB-CE 4.08Å; V133-M142 HydrophobicContact CG2-CE 3.69Å; V133-M142 HydrophobicContact CG2-CG 4.09Å; V133-L146 HydrophobicContact CG2-CD1 4.36Å; V133-V345 HydrophobicContact CG1-CG1 3.84Å; V133-V345 HydrophobicContact CG1-CG2 4.43Å; V133-F348 HydrophobicContact CG1-CE1 3.64Å; V133-F348 HydrophobicContact CG1-CZ 4.21Å
134T93.7Very high95Very high77 Ų7719.5 Ų19.547%0.47211%0.111SC..EExtended strand (participates in β ladder)trans-104.3128.3170.8-51.70000109.5M74 W132M74-T134 WeakPolarHBondContact O-CA 3.49Å; W132-T134 WeakPolarHBondContact CZ3-OG1 3.35Å
135A94Very high94.9Very high5 Ų522 Ų224%0.04112%0.121CC..  trans-68.1153.1172.900000111V73 M74 G76 G137 E138 M142V73-A135 HydrophobicContact CG1-CB 4.21Å; M74-A135 PolarHBondContact O-N 3.18Å; G76-A135 VanDerWaalsContact CA-O 3.25Å; G76-A135 WeakPolarHBondContact CA-O 3.33Å; A135-G137 VanDerWaalsContact C-N 3.27Å; A135-E138 WeakPolarHBondContact CB-O 3.44Å; A135-M142 HydrophobicContact CB-CB 3.57Å; A135-M142 HydrophobicContact CB-CG 4.22Å
136A91.4Very high94.8Very high52 Ų5222 Ų2243%0.4312%0.121SC..SBendtrans-69.1-30.7170.400000111.7K341 D342A136-K341 HydrophobicContact CB-CB 4.12Å; A136-D342 WeakPolarHBondContact CB-OD1 3.3Å; A136-D342 PolarHBondContact N-OD1 2.96Å
137G90.6Very high94.8Very high6 Ų619.3 Ų19.36%0.06211%0.107CC..SBendtrans-139.9-106.1176.400000111.2G76 E77 A135G76-G137 WeakPolarHBondContact CA-O 3.49Å; G76-G137 PolarHBondContact N-O 2.9Å; E77-G137 WeakPolarHBondContact O-CA 3.41Å; A135-G137 VanDerWaalsContact C-N 3.27Å
138E91.6Very high94.6Very high13 Ų1320.2 Ų20.26%0.06112%0.12CC..  trans-74140.4179.6-61.1-63.8151.100112.1P79 K82 A135 E140 A141 M142 Y165 Y213P79-E138 VanDerWaalsContact CD-OE1 3.29Å; P79-E138 WeakPolarHBondContact CD-OE1 3.31Å; K82-E138 WeakPolarHBondContact CD-OE1 3.08Å; K82-E138 IonicContact NZ-OE1 2.67Å; K82-E138 PolarHBondContact NZ-OE1 3.33Å; K82-E138 VanDerWaalsContact NZ-OE1 3.1Å; K82-E138 IonicContact NZ-OE2 3.18Å; K82-E138 PolarHBondContact NZ-OE2 3.3Å; A135-E138 WeakPolarHBondContact CB-O 3.44Å; E138-E140 VanDerWaalsContact C-N 3.29Å; E138-E140 PolarHBondContact O-N 2.99Å; E138-A141 HydrophobicContact CB-CB 4.26Å; E138-A141 WeakPolarHBondContact O-CB 3.37Å; E138-A141 PolarHBondContact O-N 2.81Å; E138-M142 PolarHBondContact O-N 3.38Å; E138-Y165 HydrophobicContact CB-CE2 4.36Å; E138-Y213 WeakPolarHBondContact CG-OH 3.22Å
139A93.9Very high94.5Very high1 Ų122.7 Ų22.71%0.00814%0.141CC..Hα-helixtrans-62.2-36.6175.600000112.1D30 V73 E75 A141 M142 C143D30-A139 VanDerWaalsContact OD2-CB 3.29Å; D30-A139 WeakPolarHBondContact OD2-CB 3.5Å; V73-A139 HydrophobicContact CB-CB 4.45Å; V73-A139 HydrophobicContact CG1-CB 3.82Å; V73-A139 WeakPolarHBondContact CG1-O 3.5Å; E75-A139 HydrophobicContact CB-CB 4.29Å; A139-A141 VanDerWaalsContact C-N 3.29Å; A139-A141 PolarHBondContact O-N 3.03Å; A139-M142 PolarHBondContact O-N 2.9Å; A139-C143 PolarHBondContact O-N 3.46Å; A139-C143 PolarHBondContact O-SG 3.27Å; A139-C143 VanDerWaalsContact O-SG 3.42Å
140E94.1Very high94.4Very high5 Ų525.1 Ų25.12%0.02317%0.166CC..Hα-helixtrans-61.8-35.1176.4-58.7-57.7165.200113.7L33 E138 M142 C143 A144 T157 D159 A162 Y165L33-E140 WeakPolarHBondContact CD1-OE1 3.25Å; E138-E140 VanDerWaalsContact C-N 3.29Å; E138-E140 PolarHBondContact O-N 2.99Å; E140-M142 VanDerWaalsContact C-N 3.34Å; E140-C143 PolarHBondContact O-N 2.88Å; E140-A144 VanDerWaalsContact O-CB 3.32Å; E140-A144 WeakPolarHBondContact O-CB 3.46Å; E140-A144 PolarHBondContact O-N 3.2Å; E140-T157 VanDerWaalsContact OE1-CB 3.22Å; E140-T157 WeakPolarHBondContact OE1-CB 3.39Å; E140-T157 PolarHBondContact OE1-OG1 3.06Å; E140-T157 WeakPolarHBondContact OE2-CB 3.34Å; E140-T157 VanDerWaalsContact OE2-CG2 3.25Å; E140-T157 WeakPolarHBondContact OE2-CG2 3.48Å; E140-T157 PolarHBondContact OE2-OG1 3.08Å; E140-T157 VanDerWaalsContact OE2-OG1 3.07Å; E140-D159 HydrophobicContact CG-CB 3.84Å; E140-D159 WeakPolarHBondContact OE1-CB 3.37Å; E140-A162 HydrophobicContact CB-CB 4.46Å; E140-Y165 HydrophobicContact CB-CD2 4.11Å; E140-Y165 HydrophobicContact CB-CE2 4.35Å
141A94.8Very high94.4Very high15 Ų1527 Ų2712%0.12418%0.175CC..Hα-helixtrans-64.2-44.1176.800000110.6E138 A139 A144 Y145 Y165E138-A141 HydrophobicContact CB-CB 4.26Å; E138-A141 WeakPolarHBondContact O-CB 3.37Å; E138-A141 PolarHBondContact O-N 2.81Å; A139-A141 VanDerWaalsContact C-N 3.29Å; A139-A141 PolarHBondContact O-N 3.03Å; A141-A144 PolarHBondContact O-N 2.96Å; A141-Y145 WeakPolarHBondContact O-CB 3.33Å; A141-Y145 PolarHBondContact O-N 3.4Å; A141-Y165 HydrophobicContact CB-CD1 3.56Å; A141-Y165 HydrophobicContact CB-CD2 3.98Å; A141-Y165 HydrophobicContact CB-CE1 3.58Å; A141-Y165 HydrophobicContact CB-CE2 4.01Å; A141-Y165 HydrophobicContact CB-CG 3.77Å
142M95.9Very high94.4Very high4 Ų425.9 Ų25.92%0.0217%0.168CC..Hα-helixtrans-70.7-39178179.758.3164.600112.1V73 V133 A135 E138 A139 E140 A144 Y145 L146 D342 V345V73-M142 HydrophobicContact CG1-CB 3.68Å; V73-M142 HydrophobicContact CG1-CG 3.69Å; V73-M142 HydrophobicContact CG2-CG 4.25Å; V133-M142 HydrophobicContact CB-CE 4.08Å; V133-M142 HydrophobicContact CG2-CE 3.69Å; V133-M142 HydrophobicContact CG2-CG 4.09Å; A135-M142 HydrophobicContact CB-CB 3.57Å; A135-M142 HydrophobicContact CB-CG 4.22Å; E138-M142 PolarHBondContact O-N 3.38Å; A139-M142 PolarHBondContact O-N 2.9Å; E140-M142 VanDerWaalsContact C-N 3.34Å; M142-A144 PolarHBondContact O-N 3.43Å; M142-Y145 WeakPolarHBondContact O-CB 3.39Å; M142-Y145 PolarHBondContact O-N 3Å; M142-Y145 HydrophobicContact SD-CD1 3.88Å; M142-L146 HydrophobicContact CE-CD2 4.15Å; M142-L146 HydrophobicContact CE-CG 4.39Å; M142-L146 VanDerWaalsContact O-CG 3.32Å; M142-L146 WeakPolarHBondContact O-CG 3.47Å; M142-L146 PolarHBondContact O-N 2.95Å; M142-L146 HydrophobicContact SD-CG 4.4Å; M142-D342 WeakPolarHBondContact CA-OD2 3.29Å; M142-D342 PolarHBondContact N-OD2 2.96Å; M142-D342 HydrophobicContact SD-CB 3.55Å; M142-D342 VanDerWaalsContact SD-CB 3.55Å; M142-D342 VanDerWaalsContact SD-CG 3.55Å; M142-V345 HydrophobicContact CE-CG2 3.21Å
143C96.6Very high94.5Very high0 Ų025.5 Ų25.50%017%0.172CC..Hα-helixtrans-56.3-48.6170.8-78.30000111.7A28 V73 A139 E140 Y145 L146 D147 C155A28-C143 HydrophobicContact CB-CB 4.32Å; V73-C143 VanDerWaalsContact CG2-SG 3.56Å; A139-C143 PolarHBondContact O-N 3.46Å; A139-C143 PolarHBondContact O-SG 3.27Å; A139-C143 VanDerWaalsContact O-SG 3.42Å; E140-C143 PolarHBondContact O-N 2.88Å; C143-Y145 VanDerWaalsContact C-N 3.35Å; C143-L146 PolarHBondContact O-N 3.5Å; C143-D147 PolarHBondContact O-N 3.12Å; C143-D147 VanDerWaalsContact O-N 3.14Å; C143-C155 HydrophobicContact CB-CB 3.73Å
144A96.2Very high94.6Very high0 Ų024.6 Ų24.60%017%0.167CC..Hα-helixtrans-64-38176.900000112.6E140 A141 M142 D147 S148 A167E140-A144 VanDerWaalsContact O-CB 3.32Å; E140-A144 WeakPolarHBondContact O-CB 3.46Å; E140-A144 PolarHBondContact O-N 3.2Å; A141-A144 PolarHBondContact O-N 2.96Å; M142-A144 PolarHBondContact O-N 3.43Å; A144-D147 PolarHBondContact O-N 3.36Å; A144-S148 WeakPolarHBondContact O-CB 3.11Å; A144-S148 PolarHBondContact O-N 3.42Å; A144-S148 PolarHBondContact O-OG 3.22Å; A144-A167 HydrophobicContact CB-CB 3.92Å
145Y95.9Very high94.8Very high51 Ų5121 Ų2120%0.214%0.144CC..Hα-helixtrans-61.3-49174.2173.7-102.2000111.7A141 M142 C143 D147 S148 A149 D342 P344A141-Y145 WeakPolarHBondContact O-CB 3.33Å; A141-Y145 PolarHBondContact O-N 3.4Å; M142-Y145 WeakPolarHBondContact O-CB 3.39Å; M142-Y145 PolarHBondContact O-N 3Å; M142-Y145 HydrophobicContact SD-CD1 3.88Å; C143-Y145 VanDerWaalsContact C-N 3.35Å; Y145-D147 VanDerWaalsContact C-N 3.3Å; Y145-D147 PolarHBondContact O-N 3.44Å; Y145-S148 PolarHBondContact O-N 2.83Å; Y145-S148 PolarHBondContact O-OG 3.43Å; Y145-A149 WeakPolarHBondContact O-CB 3.33Å; Y145-A149 PolarHBondContact O-N 3.04Å; Y145-D342 HydrophobicContact CD1-CB 4.21Å; Y145-D342 HydrophobicContact CG-CB 4.21Å; Y145-P344 WeakPolarHBondContact OH-CA 3.28Å
146L95.9Very high94.9Very high0 Ų021 Ų210%014%0.144CC..Hα-helixtrans-60.4-39.7179.3-67.5178.1000112.1A28 V71 V73 V133 M142 C143 G150 L151 V152 V345 F348A28-L146 HydrophobicContact CB-CD1 4.2Å; V71-L146 HydrophobicContact CG1-CD1 4.28Å; V73-L146 HydrophobicContact CG2-CD1 4.05Å; V133-L146 HydrophobicContact CG2-CD1 4.36Å; M142-L146 HydrophobicContact CE-CD2 4.15Å; M142-L146 HydrophobicContact CE-CG 4.39Å; M142-L146 VanDerWaalsContact O-CG 3.32Å; M142-L146 WeakPolarHBondContact O-CG 3.47Å; M142-L146 PolarHBondContact O-N 2.95Å; M142-L146 HydrophobicContact SD-CG 4.4Å; C143-L146 PolarHBondContact O-N 3.5Å; L146-G150 PolarHBondContact O-N 3.23Å; L146-L151 HydrophobicContact CD2-CB 4.25Å; L146-L151 HydrophobicContact CD2-CD1 3.67Å; L146-L151 WeakPolarHBondContact O-CB 3.42Å; L146-L151 PolarHBondContact O-N 2.81Å; L146-V152 HydrophobicContact CB-CG1 4.17Å; L146-V152 HydrophobicContact CB-CG2 3.82Å; L146-V152 PolarHBondContact O-N 3.49Å; L146-V345 HydrophobicContact CD2-CB 4.44Å; L146-V345 HydrophobicContact CD2-CG2 4.17Å; L146-F348 HydrophobicContact CD1-CE2 4.46Å; L146-F348 HydrophobicContact CD1-CZ 4.1Å; L146-F348 HydrophobicContact CD2-CE2 4.07Å; L146-F348 HydrophobicContact CD2-CZ 3.77Å
147D96.3Very high95.1Very high0 Ų018.7 Ų18.70%012%0.124CC..Hα-helixtrans-71-50.3178.517716.5000111.5C143 A144 Y145 A149 G150 V152 R168 T169C143-D147 PolarHBondContact O-N 3.12Å; C143-D147 VanDerWaalsContact O-N 3.14Å; A144-D147 PolarHBondContact O-N 3.36Å; Y145-D147 VanDerWaalsContact C-N 3.3Å; Y145-D147 PolarHBondContact O-N 3.44Å; D147-A149 PolarHBondContact O-N 3.2Å; D147-G150 PolarHBondContact O-N 2.97Å; D147-V152 HydrophobicContact CB-CG2 3.88Å; D147-R168 VanDerWaalsContact O-CZ 3.26Å; D147-R168 PolarHBondContact O-NE 3.16Å; D147-R168 VanDerWaalsContact O-NE 3.13Å; D147-R168 PolarHBondContact O-NH2 3.49Å; D147-R168 IonicContact OD1-CZ 2.59Å; D147-R168 IonicContact OD1-NE 3.39Å; D147-R168 PolarHBondContact OD1-NE 3.44Å; D147-R168 IonicContact OD1-NH2 2.74Å; D147-R168 PolarHBondContact OD1-NH2 3.4Å; D147-R168 WeakPolarHBondContact OD2-CA 3.46Å; D147-R168 WeakPolarHBondContact OD2-CB 3.37Å; D147-R168 PolarHBondContact OD2-N 2.99Å; D147-T169 PolarHBondContact OD2-N 3.38Å
148S93.4Very high95.1Very high66 Ų6621 Ų2146%0.46214%0.135SC..Hα-helixtrans-62.7-30.5179.459.50000113.2A144 Y145 G150A144-S148 WeakPolarHBondContact O-CB 3.11Å; A144-S148 PolarHBondContact O-N 3.42Å; A144-S148 PolarHBondContact O-OG 3.22Å; Y145-S148 PolarHBondContact O-N 2.83Å; Y145-S148 PolarHBondContact O-OG 3.43Å; S148-G150 VanDerWaalsContact C-N 3.27Å; S148-G150 PolarHBondContact O-N 3.36Å
149A93Very high95.2Very high54 Ų5420.8 Ų20.845%0.44614%0.135SC..THydrogen-bonded Turntrans-77.6-6.4172.900000114Y145 D147 L151Y145-A149 WeakPolarHBondContact O-CB 3.33Å; Y145-A149 PolarHBondContact O-N 3.04Å; D147-A149 PolarHBondContact O-N 3.2Å; A149-L151 VanDerWaalsContact C-N 3.3Å; A149-L151 HydrophobicContact CB-CD1 4.38Å; A149-L151 HydrophobicContact CB-CG 4.25Å; A149-L151 PolarHBondContact O-N 2.71Å
150G93.3Very high95.1Very high52 Ų5220.8 Ų20.854%0.53613%0.134SC..THydrogen-bonded Turntrans72.818-178.700000114.6L146 D147 S148L146-G150 PolarHBondContact O-N 3.23Å; D147-G150 PolarHBondContact O-N 2.97Å; S148-G150 VanDerWaalsContact C-N 3.27Å; S148-G150 PolarHBondContact O-N 3.36Å
151L94.8Very high95.1Very high41 Ų4120.6 Ų20.622%0.21513%0.134CC..SBendtrans-80.4-23.7174.8-63.7174.5000112.1L146 A149 V345 F348L146-L151 HydrophobicContact CD2-CB 4.25Å; L146-L151 HydrophobicContact CD2-CD1 3.67Å; L146-L151 WeakPolarHBondContact O-CB 3.42Å; L146-L151 PolarHBondContact O-N 2.81Å; A149-L151 VanDerWaalsContact C-N 3.3Å; A149-L151 HydrophobicContact CB-CD1 4.38Å; A149-L151 HydrophobicContact CB-CG 4.25Å; A149-L151 PolarHBondContact O-N 2.71Å; L151-V345 HydrophobicContact CD1-CB 4.5Å; L151-F348 HydrophobicContact CB-CE2 4.21Å
152V96.9Very high95.2Very high2 Ų219.9 Ų19.91%0.01213%0.128CC..SBendtrans-133161.8170.8-55.20000109.9T26 A28 V71 L146 D147T26-V152 HydrophobicContact CG2-CB 4.42Å; T26-V152 HydrophobicContact CG2-CG1 3.96Å; T26-V152 CarbonylContact O-C 3.59Å; T26-V152 WeakPolarHBondContact O-CB 3.28Å; A28-V152 HydrophobicContact CB-CG1 4.23Å; A28-V152 HydrophobicContact CB-CG2 3.95Å; V71-V152 HydrophobicContact CG2-CG1 4.29Å; L146-V152 HydrophobicContact CB-CG1 4.17Å; L146-V152 HydrophobicContact CB-CG2 3.82Å; L146-V152 PolarHBondContact O-N 3.49Å; D147-V152 HydrophobicContact CB-CG2 3.88Å
153D97.4Very high95.2Very high73 Ų7319.8 Ų19.839%0.3913%0.127SC..SBendtrans-91.6-5.9-179.8-58.5-62.7000113.1K25 T26K25-D153 VanDerWaalsContact CA-OD2 3.29Å; K25-D153 WeakPolarHBondContact CA-OD2 3.42Å; K25-D153 HydrophobicContact CB-CB 4.14Å; K25-D153 HydrophobicContact CD-CB 4.39Å; K25-D153 HydrophobicContact CG-CB 4.39Å; T26-D153 PolarHBondContact N-OD2 2.93Å; T26-D153 PolarHBondContact O-N 2.89Å
154G97.3Very high95.1Very high0 Ų019.8 Ų19.80%013%0.127CC..EExtended strand (participates in β ladder)trans167.8175175.900000112.7L27 A28 T169L27-G154 WeakPolarHBondContact CA-O 3.21Å; A28-G154 PolarHBondContact N-O 3.19Å; G154-T169 CarbonylContact C-O 3.54Å; G154-T169 VanDerWaalsContact CA-O 3.28Å; G154-T169 WeakPolarHBondContact CA-O 3.16Å
155C96.9Very high95.1Very high0 Ų020.7 Ų20.70%013%0.131CC..EExtended strand (participates in β ladder)trans-120.6133.5-179.357.70000112.3A28 C143 T169 Y171A28-C155 HydrophobicContact CB-CB 4.36Å; A28-C155 CarbonylContact O-C 3.5Å; A28-C155 WeakPolarHBondContact O-CA 3.47Å; C143-C155 HydrophobicContact CB-CB 3.73Å; C155-T169 PolarHBondContact N-O 2.98Å; C155-T169 PolarHBondContact SG-O 2.78Å; C155-T169 VanDerWaalsContact SG-O 3.38Å; C155-Y171 PolarHBondContact O-N 2.89Å
156I96.9Very high95.1Very high6 Ų619 Ų193%0.03113%0.129CC..EExtended strand (participates in β ladder)trans-90.1110.5171.9-63166000108.5L27 A28 V29 D30 W34 Y171 F174L27-I156 HydrophobicContact CB-CD1 4.07Å; L27-I156 HydrophobicContact CB-CG1 4.37Å; L27-I156 HydrophobicContact CD1-CD1 3.65Å; L27-I156 HydrophobicContact CD1-CG1 4.08Å; A28-I156 PolarHBondContact O-N 3.03Å; V29-I156 HydrophobicContact CG1-CB 4.47Å; V29-I156 HydrophobicContact CG2-CB 4.29Å; V29-I156 HydrophobicContact CG2-CD1 3.97Å; D30-I156 PolarHBondContact N-O 2.81Å; W34-I156 HydrophobicContact CZ2-CG2 4.21Å; I156-Y171 CarbonylContact C-O 3.16Å; I156-Y171 WeakPolarHBondContact CA-O 3.3Å; I156-Y171 HydrophobicContact CG1-CD2 4.5Å; I156-F174 HydrophobicContact CG2-CB 4.27Å
157T94.9Very high95.2Very high3 Ų319 Ų192%0.01813%0.129CC..  trans-155.8150.7-179.8174.40000112.1L33 E140 D159 A162 V170 Y171 R172L33-T157 VanDerWaalsContact CD1-OG1 3.26Å; L33-T157 WeakPolarHBondContact CD1-OG1 3.31Å; E140-T157 VanDerWaalsContact OE1-CB 3.22Å; E140-T157 WeakPolarHBondContact OE1-CB 3.39Å; E140-T157 PolarHBondContact OE1-OG1 3.06Å; E140-T157 WeakPolarHBondContact OE2-CB 3.34Å; E140-T157 VanDerWaalsContact OE2-CG2 3.25Å; E140-T157 WeakPolarHBondContact OE2-CG2 3.48Å; E140-T157 PolarHBondContact OE2-OG1 3.08Å; E140-T157 VanDerWaalsContact OE2-OG1 3.07Å; T157-D159 PolarHBondContact OG1-N 3.03Å; T157-A162 HydrophobicContact CG2-CB 3.91Å; T157-V170 HydrophobicContact CG2-CG1 3.62Å; T157-Y171 PolarHBondContact N-O 3.26Å; T157-Y171 VanDerWaalsContact O-O 3.04Å; T157-R172 WeakPolarHBondContact O-CA 3.39Å; T157-R172 WeakPolarHBondContact O-CB 3.46Å
158N92.3Very high95.2Very high55 Ų5524.7 Ų24.729%0.29415%0.15SC..SBendtrans-101.50.9168.6-65.4-41.7000113L33 N173L33-N158 HydrophobicContact CD1-CB 4.28Å; N158-N173 PolarHBondContact OD1-N 3.49Å
159D92.6Very high95.4Very high9 Ų922.6 Ų22.65%0.04814%0.135CC..  trans-93.5130.7177.1-156.7-40.3000110.8M1 G2 L33 E140 T157 D161M1-D159 VanDerWaalsContact CB-OD2 3.25Å; M1-D159 WeakPolarHBondContact CB-OD2 3.49Å; G2-D159 WeakPolarHBondContact CA-OD1 3.37Å; G2-D159 PolarHBondContact N-OD1 3.05Å; L33-D159 HydrophobicContact CD1-CB 4.32Å; E140-D159 HydrophobicContact CG-CB 3.84Å; E140-D159 WeakPolarHBondContact OE1-CB 3.37Å; T157-D159 PolarHBondContact OG1-N 3.03Å; D159-D161 VanDerWaalsContact C-N 3.27Å; D159-D161 PolarHBondContact O-N 3.2Å; D159-D161 PolarHBondContact OD1-N 2.99Å
160G92.3Very high95.6Very high0 Ų020 Ų200%011%0.113CC..THydrogen-bonded Turntrans-77.7-13.9-177.600000113.4W7 A162 F163W7-G160 VanDerWaalsContact CZ2-CA 3.44Å; G160-A162 PolarHBondContact O-N 3.25Å; G160-F163 WeakPolarHBondContact O-CD2 3.5Å; G160-F163 PolarHBondContact O-N 3.2Å
161D94.5Very high95.8Very high2 Ų217.7 Ų17.71%0.0119%0.088CC..Hα-helixtrans-63.9-21.2-178.6-73.10.4000112.2G2 V3 D159 F163 L164 Y165 F337G2-D161 WeakPolarHBondContact CA-OD1 3.49Å; V3-D161 PolarHBondContact N-OD1 3Å; D159-D161 VanDerWaalsContact C-N 3.27Å; D159-D161 PolarHBondContact O-N 3.2Å; D159-D161 PolarHBondContact OD1-N 2.99Å; D161-F163 PolarHBondContact O-N 3.1Å; D161-L164 WeakPolarHBondContact O-CB 3.27Å; D161-L164 PolarHBondContact O-N 2.85Å; D161-Y165 HydrophobicContact CB-CD2 4.26Å; D161-Y165 HydrophobicContact CB-CE2 4.06Å; D161-Y165 WeakPolarHBondContact O-CD2 3.43Å; D161-Y165 PolarHBondContact O-N 3.34Å; D161-F337 HydrophobicContact CB-CE1 4.16Å
162A95.6Very high95.8Very high0 Ų018 Ų180%09%0.087CC..Hα-helixtrans-53.3-37.4173.400000113.2E140 T157 G160 L164 Y165 G166 A167 V170E140-A162 HydrophobicContact CB-CB 4.46Å; T157-A162 HydrophobicContact CG2-CB 3.91Å; G160-A162 PolarHBondContact O-N 3.25Å; A162-L164 VanDerWaalsContact C-N 3.34Å; A162-L164 PolarHBondContact O-N 3.42Å; A162-Y165 PolarHBondContact O-N 2.74Å; A162-G166 PolarHBondContact O-N 2.72Å; A162-G166 VanDerWaalsContact O-N 3.15Å; A162-A167 HydrophobicContact CB-CB 4.15Å; A162-A167 VanDerWaalsContact O-CB 3.27Å; A162-A167 WeakPolarHBondContact O-CB 3.34Å; A162-A167 PolarHBondContact O-N 2.94Å; A162-V170 HydrophobicContact CB-CG2 4.16Å
163F95.9Very high95.6Very high1 Ų121.1 Ų21.10%0.00410%0.104CC..Hα-helixtrans-66.6-37.1176-65.2-71.5000112.5L6 W7 G160 D161 G166 V170 Y186 L202L6-F163 HydrophobicContact CD2-CD2 4.36Å; W7-F163 AromaticContact CH2-CE2 3.61Å; W7-F163 HydrophobicContact CH2-CE2 3.61Å; W7-F163 HydrophobicContact CH2-CZ 4.34Å; W7-F163 AromaticContact CZ3-CE2 3.6Å; W7-F163 HydrophobicContact CZ3-CE2 3.6Å; W7-F163 HydrophobicContact CZ3-CZ 4.15Å; G160-F163 WeakPolarHBondContact O-CD2 3.5Å; G160-F163 PolarHBondContact O-N 3.2Å; D161-F163 PolarHBondContact O-N 3.1Å; F163-G166 PolarHBondContact O-N 2.77Å; F163-G166 VanDerWaalsContact O-N 3.14Å; F163-V170 HydrophobicContact CD1-CG2 3.9Å; F163-V170 HydrophobicContact CE1-CB 3.98Å; F163-V170 HydrophobicContact CE1-CG2 3.55Å; F163-V170 HydrophobicContact CE2-CB 4.41Å; F163-V170 HydrophobicContact CE2-CG2 4.24Å; F163-V170 HydrophobicContact CG-CG2 4.38Å; F163-V170 HydrophobicContact CZ-CB 3.77Å; F163-V170 HydrophobicContact CZ-CG1 4.3Å; F163-V170 HydrophobicContact CZ-CG2 3.74Å; F163-Y186 HydrophobicContact CZ-CG 4.11Å; F163-L202 HydrophobicContact CB-CD1 3.91Å
164L95.8Very high95.2Very high0 Ų018.4 Ų18.40%09%0.088CC..Hα-helixtrans-71.3-35.7-179.8-75.459.1000110.7V3 L6 D161 A162 G166 R199 L202 V203 A206 F337V3-L164 HydrophobicContact CG2-CD1 3.94Å; V3-L164 HydrophobicContact CG2-CD2 3.65Å; V3-L164 HydrophobicContact CG2-CG 4.46Å; L6-L164 HydrophobicContact CD2-CD1 4.15Å; D161-L164 WeakPolarHBondContact O-CB 3.27Å; D161-L164 PolarHBondContact O-N 2.85Å; A162-L164 VanDerWaalsContact C-N 3.34Å; A162-L164 PolarHBondContact O-N 3.42Å; L164-G166 PolarHBondContact O-N 3.1Å; L164-R199 PolarHBondContact O-NE 3.09Å; L164-R199 PolarHBondContact O-NH2 2.93Å; L164-L202 HydrophobicContact CD1-CB 4.09Å; L164-L202 HydrophobicContact CG-CB 4.48Å; L164-V203 HydrophobicContact CB-CG2 4.04Å; L164-V203 HydrophobicContact CG-CG2 4.04Å; L164-A206 HydrophobicContact CD2-CB 3.55Å; L164-F337 HydrophobicContact CB-CB 4.31Å; L164-F337 HydrophobicContact CB-CD1 3.43Å; L164-F337 VanDerWaalsContact CB-CD1 3.43Å; L164-F337 HydrophobicContact CB-CE1 3.77Å; L164-F337 HydrophobicContact CB-CG 3.88Å; L164-F337 HydrophobicContact CB-CZ 4.47Å; L164-F337 HydrophobicContact CD2-CD1 3.91Å; L164-F337 HydrophobicContact CD2-CD2 4.09Å; L164-F337 HydrophobicContact CD2-CE1 3.55Å; L164-F337 HydrophobicContact CD2-CE2 3.75Å; L164-F337 HydrophobicContact CD2-CG 4.15Å; L164-F337 HydrophobicContact CD2-CZ 3.45Å; L164-F337 VanDerWaalsContact CD2-CZ 3.45Å; L164-F337 HydrophobicContact CG-CD1 4.35Å; L164-F337 HydrophobicContact CG-CE1 4.37Å
165Y95.9Very high94.7Very high20 Ų2021.9 Ų21.98%0.07811%0.107CC..Hα-helixtrans-71.6-11171.2-71.5-62.6000113.9E138 E140 A141 D161 A162 R199 Y213 E336 F337E138-Y165 HydrophobicContact CB-CE2 4.36Å; E140-Y165 HydrophobicContact CB-CD2 4.11Å; E140-Y165 HydrophobicContact CB-CE2 4.35Å; A141-Y165 HydrophobicContact CB-CD1 3.56Å; A141-Y165 HydrophobicContact CB-CD2 3.98Å; A141-Y165 HydrophobicContact CB-CE1 3.58Å; A141-Y165 HydrophobicContact CB-CE2 4.01Å; A141-Y165 HydrophobicContact CB-CG 3.77Å; D161-Y165 HydrophobicContact CB-CD2 4.26Å; D161-Y165 HydrophobicContact CB-CE2 4.06Å; D161-Y165 WeakPolarHBondContact O-CD2 3.43Å; D161-Y165 PolarHBondContact O-N 3.34Å; A162-Y165 PolarHBondContact O-N 2.74Å; Y165-R199 PolarHBondContact O-NH2 3.33Å; Y165-Y213 PolarHBondContact OH-OH 2.98Å; Y165-E336 WeakPolarHBondContact CE1-O 3.42Å; Y165-F337 HydrophobicContact CD1-CD1 4.07Å; Y165-F337 HydrophobicContact CD2-CD1 4.25Å; Y165-F337 HydrophobicContact CD2-CE1 4.41Å; Y165-F337 AromaticContact CE1-CD1 3.81Å; Y165-F337 HydrophobicContact CE1-CD1 3.81Å; Y165-F337 HydrophobicContact CE1-CE1 4.41Å; Y165-F337 AromaticContact CE2-CD1 3.99Å; Y165-F337 HydrophobicContact CE2-CD1 3.99Å; Y165-F337 AromaticContact CE2-CE1 3.89Å; Y165-F337 HydrophobicContact CE2-CE1 3.89Å; Y165-F337 HydrophobicContact CG-CD1 4.27Å; Y165-F337 AromaticContact CZ-CD1 3.76Å; Y165-F337 AromaticContact CZ-CE1 3.9Å
166G95.4Very high94Very high15 Ų1524.7 Ų24.716%0.15512%0.121CC..THydrogen-bonded Turntrans98.224.5171.700000115.2A162 F163 L164A162-G166 PolarHBondContact O-N 2.72Å; A162-G166 VanDerWaalsContact O-N 3.15Å; F163-G166 PolarHBondContact O-N 2.77Å; F163-G166 VanDerWaalsContact O-N 3.14Å; L164-G166 PolarHBondContact O-N 3.1Å
167A96.9Very high93.1Very high1 Ų128.7 Ų28.71%0.00814%0.142CC..  trans-57.4140.7168.400000110.4A144 A162 V170 T188A144-A167 HydrophobicContact CB-CB 3.92Å; A162-A167 HydrophobicContact CB-CB 4.15Å; A162-A167 VanDerWaalsContact O-CB 3.27Å; A162-A167 WeakPolarHBondContact O-CB 3.34Å; A162-A167 PolarHBondContact O-N 2.94Å; A167-V170 HydrophobicContact CB-CG2 3.83Å; A167-T188 PolarHBondContact O-OG1 3.06Å
168R97.1Very high91.9Very high119 Ų11934.4 Ų34.445%0.44918%0.182SC..SBendtrans-90.6-37.4177-57.2-179.6-60.1159.93.9111.2D147 Q187 T188D147-R168 VanDerWaalsContact O-CZ 3.26Å; D147-R168 PolarHBondContact O-NE 3.16Å; D147-R168 VanDerWaalsContact O-NE 3.13Å; D147-R168 PolarHBondContact O-NH2 3.49Å; D147-R168 IonicContact OD1-CZ 2.59Å; D147-R168 IonicContact OD1-NE 3.39Å; D147-R168 PolarHBondContact OD1-NE 3.44Å; D147-R168 IonicContact OD1-NH2 2.74Å; D147-R168 PolarHBondContact OD1-NH2 3.4Å; D147-R168 WeakPolarHBondContact OD2-CA 3.46Å; D147-R168 WeakPolarHBondContact OD2-CB 3.37Å; D147-R168 PolarHBondContact OD2-N 2.99Å; R168-Q187 WeakPolarHBondContact O-CA 3.49Å; R168-T188 PolarHBondContact O-N 3.25Å; R168-T188 PolarHBondContact O-OG1 3.24Å
169T97.9Very high90.8Very high21 Ų2141.1 Ų41.113%0.12921%0.209CC..EExtended strand (participates in β ladder)trans-133.2118.7-179.4-51.40000110.6D147 G154 C155 Y171 Y186D147-T169 PolarHBondContact OD2-N 3.38Å; G154-T169 CarbonylContact C-O 3.54Å; G154-T169 VanDerWaalsContact CA-O 3.28Å; G154-T169 WeakPolarHBondContact CA-O 3.16Å; C155-T169 PolarHBondContact N-O 2.98Å; C155-T169 PolarHBondContact SG-O 2.78Å; C155-T169 VanDerWaalsContact SG-O 3.38Å; T169-Y171 HydrophobicContact CG2-CD2 4.34Å; T169-Y171 HydrophobicContact CG2-CE1 4.46Å; T169-Y171 HydrophobicContact CG2-CE2 3.69Å; T169-Y186 WeakPolarHBondContact CA-O 3.24Å
170V97.9Very high90.1Very high0 Ų044.4 Ų44.40%023%0.227CC..EExtended strand (participates in β ladder)trans-113.9128.3179.1-178.40000110.2W7 T157 A162 F163 A167 Y186W7-V170 HydrophobicContact CH2-CG1 4.16Å; T157-V170 HydrophobicContact CG2-CG1 3.62Å; A162-V170 HydrophobicContact CB-CG2 4.16Å; F163-V170 HydrophobicContact CD1-CG2 3.9Å; F163-V170 HydrophobicContact CE1-CB 3.98Å; F163-V170 HydrophobicContact CE1-CG2 3.55Å; F163-V170 HydrophobicContact CE2-CB 4.41Å; F163-V170 HydrophobicContact CE2-CG2 4.24Å; F163-V170 HydrophobicContact CG-CG2 4.38Å; F163-V170 HydrophobicContact CZ-CB 3.77Å; F163-V170 HydrophobicContact CZ-CG1 4.3Å; F163-V170 HydrophobicContact CZ-CG2 3.74Å; A167-V170 HydrophobicContact CB-CG2 3.83Å; V170-Y186 PolarHBondContact N-O 2.83Å; V170-Y186 PolarHBondContact O-N 3.4Å
171Y97.3Very high89.9Confident3 Ų345.7 Ų45.71%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-108.3114.1176.6-69.6-70.6000110L22 K25 L27 C155 I156 T157 T169 V183 D184 C185L22-Y171 HydrophobicContact CD1-CE1 4.49Å; L22-Y171 HydrophobicContact CD2-CE1 3.76Å; K25-Y171 PolarHBondContact NZ-OH 3.09Å; L27-Y171 HydrophobicContact CD1-CD2 4.35Å; L27-Y171 HydrophobicContact CD1-CE2 4.39Å; L27-Y171 HydrophobicContact CD2-CD2 3.87Å; L27-Y171 HydrophobicContact CD2-CE2 3.44Å; L27-Y171 VanDerWaalsContact CD2-CE2 3.44Å; C155-Y171 PolarHBondContact O-N 2.89Å; I156-Y171 CarbonylContact C-O 3.16Å; I156-Y171 WeakPolarHBondContact CA-O 3.3Å; I156-Y171 HydrophobicContact CG1-CD2 4.5Å; T157-Y171 PolarHBondContact N-O 3.26Å; T157-Y171 VanDerWaalsContact O-O 3.04Å; T169-Y171 HydrophobicContact CG2-CD2 4.34Å; T169-Y171 HydrophobicContact CG2-CE1 4.46Å; T169-Y171 HydrophobicContact CG2-CE2 3.69Å; Y171-V183 HydrophobicContact CD1-CG1 3.71Å; Y171-V183 HydrophobicContact CD1-CG2 4.28Å; Y171-V183 HydrophobicContact CE1-CG1 4.33Å; Y171-V183 HydrophobicContact CG-CG2 4.49Å; Y171-D184 CarbonylContact C-O 3.53Å; Y171-D184 VanDerWaalsContact CA-O 3.3Å; Y171-D184 WeakPolarHBondContact CA-O 3.32Å; Y171-C185 HydrophobicContact CD1-CB 4.05Å; Y171-C185 HydrophobicContact CE1-CB 3.81Å
172R95.1Very high89.8Confident47 Ų4748.6 Ų48.618%0.17725%0.248CC..EExtended strand (participates in β ladder)trans-119.7162.4-174.5172.2169179.2-107.2-4.2111.9W7 T157 F174 V183 D184 Y186W7-R172 VanDerWaalsContact CE2-CD 3.49Å; W7-R172 HydrophobicContact CH2-CB 4.3Å; W7-R172 HydrophobicContact CH2-CG 4.39Å; W7-R172 VanDerWaalsContact CZ2-CD 3.42Å; W7-R172 HydrophobicContact CZ3-CB 4.48Å; W7-R172 VanDerWaalsContact CZ3-CD 3.41Å; T157-R172 WeakPolarHBondContact O-CA 3.39Å; T157-R172 WeakPolarHBondContact O-CB 3.46Å; R172-F174 VanDerWaalsContact C-N 3.28Å; R172-F174 PolarHBondContact O-N 3.48Å; R172-V183 WeakPolarHBondContact O-CG2 3.47Å; R172-D184 PolarHBondContact N-O 3.27Å; R172-D184 WeakPolarHBondContact O-CB 3.5Å; R172-D184 PolarHBondContact O-N 3.18Å; R172-Y186 HydrophobicContact CB-CD2 4.41Å; R172-Y186 HydrophobicContact CB-CE2 3.99Å
173N91.6Very high89.8Confident69 Ų6948.6 Ų48.637%0.36925%0.248SC..EExtended strand (participates in β ladder)trans57.243.3176.3-62.8-28.2000111.8N158 N175 D184N158-N173 PolarHBondContact OD1-N 3.49Å; N173-N175 PolarHBondContact O-N 3.02Å; N173-D184 PolarHBondContact ND2-OD2 2.89Å
174F89.8Confident89.8Confident16 Ų1649.2 Ų49.27%0.0725%0.252CS..EExtended strand (participates in β ladder)trans-53.5114.5178.5178.3-95.4000110.9L19 W34 R59 L63 I156 R172 M176 V183L19-F174 HydrophobicContact CD1-CD2 4.45Å; L19-F174 HydrophobicContact CD1-CE2 3.57Å; L19-F174 HydrophobicContact CD1-CZ 3.87Å; L19-F174 HydrophobicContact CD2-CD2 4.05Å; L19-F174 HydrophobicContact CD2-CE2 3.71Å; L19-F174 HydrophobicContact CG-CE2 4.34Å; W34-F174 HydrophobicContact CZ2-CD1 4.09Å; W34-F174 HydrophobicContact CZ2-CE1 4.24Å; W34-F174 HydrophobicContact CZ2-CG 4.3Å; R59-F174 HydrophobicContact CG-CE1 3.91Å; L63-F174 HydrophobicContact CD1-CE2 3.93Å; L63-F174 HydrophobicContact CD1-CZ 3.89Å; L63-F174 HydrophobicContact CD2-CE2 4Å; L63-F174 HydrophobicContact CD2-CZ 4.35Å; L63-F174 HydrophobicContact CG-CE2 4.29Å; L63-F174 HydrophobicContact CG-CZ 4.21Å; I156-F174 HydrophobicContact CG2-CB 4.27Å; R172-F174 VanDerWaalsContact C-N 3.28Å; R172-F174 PolarHBondContact O-N 3.48Å; F174-M176 HydrophobicContact CE1-CB 4.03Å; F174-M176 HydrophobicContact CE1-SD 4.32Å; F174-M176 HydrophobicContact CZ-CB 4.19Å; F174-M176 HydrophobicContact CZ-CG 4.48Å; F174-M176 HydrophobicContact CZ-SD 3.94Å; F174-V183 HydrophobicContact CB-CG2 4.48Å
175N86.1Confident89.9Confident72 Ų7249.4 Ų49.439%0.38525%0.253SS..EExtended strand (participates in β ladder)trans-126.8123.6-178.6-170.7-9.8000110.8N173 N177 P181 Q182N173-N175 PolarHBondContact O-N 3.02Å; N175-N177 WeakPolarHBondContact OD1-CB 3.29Å; N175-N177 PolarHBondContact OD1-N 3.26Å; N175-P181 WeakPolarHBondContact O-CA 3.37Å; N175-Q182 PolarHBondContact N-O 3.3Å; N175-Q182 PolarHBondContact O-N 3.24Å; N175-Q182 VanDerWaalsContact O-N 3.14Å
176M82.4Confident90Very high60 Ų6048.5 Ų48.530%0.29625%0.249SC..  trans-113.543.6-179.6-154.5162.770.500111.5L19 R59 S62 F174L19-M176 HydrophobicContact CD1-CG 4.35Å; R59-M176 HydrophobicContact CB-CE 4.42Å; R59-M176 HydrophobicContact CG-CE 3.93Å; S62-M176 WeakPolarHBondContact CB-SD 3.34Å; F174-M176 HydrophobicContact CE1-CB 4.03Å; F174-M176 HydrophobicContact CE1-SD 4.32Å; F174-M176 HydrophobicContact CZ-CB 4.19Å; F174-M176 HydrophobicContact CZ-CG 4.48Å; F174-M176 HydrophobicContact CZ-SD 3.94Å
177N78.6Confident90.1Very high89 Ų8951 Ų5148%0.47626%0.257SS..  trans-69.8140.1173.9-170.20.9000110.6N175 K179 D180N175-N177 WeakPolarHBondContact OD1-CB 3.29Å; N175-N177 PolarHBondContact OD1-N 3.26Å; N177-K179 PolarHBondContact O-N 3.04Å; N177-K179 VanDerWaalsContact O-N 3.09Å; N177-D180 PolarHBondContact O-N 2.89Å
178S68.1Low90Very high124 Ų12452.2 Ų52.287%0.86726%0.264SS*.THydrogen-bonded Turntrans-61.7-21.2-174.1-48.60000114.6
179K71.1Confident90Very high195 Ų19549.7 Ų49.785%0.84827%0.265SS*.THydrogen-bonded Turntrans-90.5-34.1-177.8-66.4-173.2179.9-177.40113.7N177N177-K179 PolarHBondContact O-N 3.04Å; N177-K179 VanDerWaalsContact O-N 3.09Å
180D77.6Confident89.9Confident79 Ų7951.4 Ų51.442%0.42227%0.269SS..  trans-157.381.7-174.2-173.930.4000110.5N177 Q182N177-D180 PolarHBondContact O-N 2.89Å; D180-Q182 PolarHBondContact O-N 2.82Å; D180-Q182 PolarHBondContact OD2-NE2 3.32Å
181P86.9Confident89.8Confident27 Ų2751.4 Ų51.418%0.17527%0.269CS..  trans-73.2110.6177.728.3-31.7000109.9P18 L19 N175P18-P181 WeakPolarHBondContact CA-O 3.24Å; L19-P181 HydrophobicContact CB-CB 4.25Å; L19-P181 HydrophobicContact CD1-CB 3.83Å; L19-P181 HydrophobicContact CG-CB 4.06Å; L19-P181 PolarHBondContact N-O 2.76Å; N175-P181 WeakPolarHBondContact O-CA 3.37Å
182Q92.7Very high89.6Confident62 Ų6256.6 Ų56.629%0.2929%0.294SS..EExtended strand (participates in β ladder)trans-137.3161.9-173.964.8178.4-64.600112.3V17 N175 D180V17-Q182 CarbonylContact O-C 3.1Å; V17-Q182 WeakPolarHBondContact O-CA 3.49Å; N175-Q182 PolarHBondContact N-O 3.3Å; N175-Q182 PolarHBondContact O-N 3.24Å; N175-Q182 VanDerWaalsContact O-N 3.14Å; D180-Q182 PolarHBondContact O-N 2.82Å; D180-Q182 PolarHBondContact OD2-NE2 3.32Å
183V95.3Very high89.5Confident1 Ų158.8 Ų58.81%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-144.9144.4174.668.70000109.7V17 L19 L22 Y171 R172 F174V17-V183 HydrophobicContact CB-CG1 4.46Å; V17-V183 PolarHBondContact N-O 3.23Å; V17-V183 PolarHBondContact O-N 3.29Å; L19-V183 HydrophobicContact CD2-CB 3.87Å; L19-V183 HydrophobicContact CD2-CG1 3.84Å; L22-V183 HydrophobicContact CD1-CG1 3.9Å; Y171-V183 HydrophobicContact CD1-CG1 3.71Å; Y171-V183 HydrophobicContact CD1-CG2 4.28Å; Y171-V183 HydrophobicContact CE1-CG1 4.33Å; Y171-V183 HydrophobicContact CG-CG2 4.49Å; R172-V183 WeakPolarHBondContact O-CG2 3.47Å; F174-V183 HydrophobicContact CB-CG2 4.48Å
184D96.4Very high89.7Confident13 Ų1360 Ų607%0.0732%0.316CS..EExtended strand (participates in β ladder)trans-82.7120.2176.2-66.8-26.7000109.6R14 Y171 R172 N173 Y186R14-D184 HydrophobicContact CG-CB 3.96Å; Y171-D184 CarbonylContact C-O 3.53Å; Y171-D184 VanDerWaalsContact CA-O 3.3Å; Y171-D184 WeakPolarHBondContact CA-O 3.32Å; R172-D184 PolarHBondContact N-O 3.27Å; R172-D184 WeakPolarHBondContact O-CB 3.5Å; R172-D184 PolarHBondContact O-N 3.18Å; N173-D184 PolarHBondContact ND2-OD2 2.89Å; D184-Y186 HydrophobicContact CB-CD2 4.47Å; D184-Y186 HydrophobicContact CB-CE2 3.63Å
185C97.5Very high89.8Confident5 Ų561.3 Ų61.33%0.03432%0.323CS..EExtended strand (participates in β ladder)trans-98.1133.2177.9-178.40000110.5E15 V17 Y171E15-C185 HydrophobicContact CB-CB 4.39Å; E15-C185 PolarHBondContact N-O 2.7Å; E15-C185 PolarHBondContact O-N 2.86Å; V17-C185 HydrophobicContact CB-CB 4.31Å; V17-C185 HydrophobicContact CG2-CB 3.51Å; Y171-C185 HydrophobicContact CD1-CB 4.05Å; Y171-C185 HydrophobicContact CE1-CB 3.81Å
186Y97.9Very high90Very high0 Ų064.9 Ų64.90%034%0.337CS..EExtended strand (participates in β ladder)trans-128.6123174.1-61.2-99.5000108.7W7 V10 V13 R14 F163 T169 V170 R172 D184W7-Y186 HydrophobicContact CE3-CE1 4.41Å; W7-Y186 HydrophobicContact CZ3-CD1 4.48Å; W7-Y186 HydrophobicContact CZ3-CD2 4.13Å; W7-Y186 HydrophobicContact CZ3-CE1 4.34Å; W7-Y186 HydrophobicContact CZ3-CE2 4.01Å; W7-Y186 HydrophobicContact CZ3-CG 4.38Å; V10-Y186 HydrophobicContact CB-CD1 4.35Å; V10-Y186 HydrophobicContact CB-CE1 4.49Å; V10-Y186 HydrophobicContact CG2-CD1 4.01Å; V10-Y186 HydrophobicContact CG2-CE1 3.91Å; V13-Y186 HydrophobicContact CG2-CD1 4.19Å; R14-Y186 HydrophobicContact CB-CE1 3.73Å; R14-Y186 HydrophobicContact CG-CE1 4.16Å; R14-Y186 HydrophobicContact CG-CE2 4.25Å; R14-Y186 WeakPolarHBondContact CG-OH 3.25Å; F163-Y186 HydrophobicContact CZ-CG 4.11Å; T169-Y186 WeakPolarHBondContact CA-O 3.24Å; V170-Y186 PolarHBondContact N-O 2.83Å; V170-Y186 PolarHBondContact O-N 3.4Å; R172-Y186 HydrophobicContact CB-CD2 4.41Å; R172-Y186 HydrophobicContact CB-CE2 3.99Å; D184-Y186 HydrophobicContact CB-CD2 4.47Å; D184-Y186 HydrophobicContact CB-CE2 3.63Å
187Q97.3Very high90.4Very high68 Ų6862.2 Ų62.232%0.31832%0.324SS..EExtended strand (participates in β ladder)trans-105.7127.9175.9-65.2179.56.400110R168 S189 R190 V191R168-Q187 WeakPolarHBondContact O-CA 3.49Å; Q187-S189 PolarHBondContact O-N 3.37Å; Q187-R190 HydrophobicContact CB-CG 4.25Å; Q187-R190 WeakPolarHBondContact O-CB 3.18Å; Q187-R190 PolarHBondContact O-N 2.86Å; Q187-V191 PolarHBondContact O-N 2.66Å
188T95.7Very high91.1Very high26 Ų2659.5 Ų59.516%0.1631%0.312CS..Hα-helixtrans-62.2-28.6179.5-61.60000112A167 R168 R190 V191 Q192A167-T188 PolarHBondContact O-OG1 3.06Å; R168-T188 PolarHBondContact O-N 3.25Å; R168-T188 PolarHBondContact O-OG1 3.24Å; T188-R190 PolarHBondContact O-N 3.45Å; T188-V191 PolarHBondContact O-N 2.91Å; T188-Q192 WeakPolarHBondContact O-CB 3.47Å; T188-Q192 PolarHBondContact O-N 3.35Å
189S96.4Very high92.4Very high66 Ų6657.8 Ų57.846%0.46229%0.286SS..Hα-helixtrans-56.5-48.4170.652.60000111.7Q187 Q192 T193Q187-S189 PolarHBondContact O-N 3.37Å; S189-Q192 PolarHBondContact O-N 3.14Å; S189-T193 WeakPolarHBondContact O-CG2 3.42Å; S189-T193 PolarHBondContact O-N 3.48Å; S189-T193 PolarHBondContact O-OG1 2.92Å; S189-T193 VanDerWaalsContact O-OG1 3.04Å
190R96.7Very high93.5Very high58 Ų5852.1 Ų52.122%0.21926%0.263CS..Hα-helixtrans-67.7-40.4177.5-64.3-175.364-155-13112V13 E15 Q187 T188 Q192 T193 E194V13-R190 HydrophobicContact CB-CB 4.25Å; V13-R190 HydrophobicContact CG1-CB 4.3Å; V13-R190 PolarHBondContact O-NH1 3.21Å; E15-R190 IonicContact OE2-NH1 2.89Å; Q187-R190 HydrophobicContact CB-CG 4.25Å; Q187-R190 WeakPolarHBondContact O-CB 3.18Å; Q187-R190 PolarHBondContact O-N 2.86Å; T188-R190 PolarHBondContact O-N 3.45Å; R190-Q192 PolarHBondContact O-N 3.2Å; R190-T193 WeakPolarHBondContact CA-OG1 2.92Å; R190-T193 PolarHBondContact O-N 3.48Å; R190-E194 IonicContact CZ-OE1 3.05Å; R190-E194 IonicContact CZ-OE2 2.84Å; R190-E194 IonicContact NE-OE1 2.88Å; R190-E194 PolarHBondContact NE-OE1 2.95Å; R190-E194 IonicContact NE-OE2 2.75Å; R190-E194 IonicContact NH2-OE1 4Å; R190-E194 PolarHBondContact NH2-OE1 3.45Å; R190-E194 IonicContact NH2-OE2 3.29Å; R190-E194 PolarHBondContact NH2-OE2 3.08Å; R190-E194 VanDerWaalsContact NH2-OE2 3.09Å; R190-E194 VanDerWaalsContact O-CB 3.3Å; R190-E194 WeakPolarHBondContact O-CB 3.12Å; R190-E194 PolarHBondContact O-N 3.04Å
191V95Very high94.2Very high0 Ų049.2 Ų49.20%025%0.247CC..Hα-helixtrans-56.2-41.4172.91750000110.7V10 V13 Q187 T188 L195 H196 L197 L202V10-V191 HydrophobicContact CG1-CG1 4.41Å; V10-V191 HydrophobicContact CG1-CG2 4.37Å; V13-V191 HydrophobicContact CG2-CG2 3.71Å; Q187-V191 PolarHBondContact O-N 2.66Å; T188-V191 PolarHBondContact O-N 2.91Å; V191-L195 VanDerWaalsContact O-CB 3.31Å; V191-L195 WeakPolarHBondContact O-CB 3.01Å; V191-L195 PolarHBondContact O-N 3.23Å; V191-H196 PolarHBondContact O-N 2.88Å; V191-L197 HydrophobicContact CG1-CB 3.75Å; V191-L197 HydrophobicContact CG1-CD1 4.3Å; V191-L197 PolarHBondContact O-N 2.81Å; V191-L202 HydrophobicContact CG1-CD1 4.32Å
192Q93.8Very high94.6Very high112 Ų11248 Ų4852%0.52324%0.239SC..Hα-helixtrans-74.6-41.2178.2-175.3174-14.100113.1T188 S189 R190 H196T188-Q192 WeakPolarHBondContact O-CB 3.47Å; T188-Q192 PolarHBondContact O-N 3.35Å; S189-Q192 PolarHBondContact O-N 3.14Å; R190-Q192 PolarHBondContact O-N 3.2Å; Q192-H196 WeakPolarHBondContact O-CA 3.37Å; Q192-H196 PolarHBondContact O-N 3.17Å
193T93.8Very high94.7Very high93 Ų9345 Ų4557%0.57123%0.226SC*.Hα-helixtrans-81.7-41.6-175.154.50000113.4S189 R190 H196S189-T193 WeakPolarHBondContact O-CG2 3.42Å; S189-T193 PolarHBondContact O-N 3.48Å; S189-T193 PolarHBondContact O-OG1 2.92Å; S189-T193 VanDerWaalsContact O-OG1 3.04Å; R190-T193 WeakPolarHBondContact CA-OG1 2.92Å; R190-T193 PolarHBondContact O-N 3.48Å; T193-H196 PolarHBondContact O-CE1 2.85Å; T193-H196 VanDerWaalsContact O-CE1 3.31Å
194E94.1Very high94.7Very high95 Ų9545 Ų4544%0.44423%0.225SC..Hα-helixtrans-90.3-33.5-174.3-63.3174.6-141.400112.4V13 R190V13-E194 HydrophobicContact CG1-CB 3.99Å; R190-E194 IonicContact CZ-OE1 3.05Å; R190-E194 IonicContact CZ-OE2 2.84Å; R190-E194 IonicContact NE-OE1 2.88Å; R190-E194 PolarHBondContact NE-OE1 2.95Å; R190-E194 IonicContact NE-OE2 2.75Å; R190-E194 IonicContact NH2-OE1 4Å; R190-E194 PolarHBondContact NH2-OE1 3.45Å; R190-E194 IonicContact NH2-OE2 3.29Å; R190-E194 PolarHBondContact NH2-OE2 3.08Å; R190-E194 VanDerWaalsContact NH2-OE2 3.09Å; R190-E194 VanDerWaalsContact O-CB 3.3Å; R190-E194 WeakPolarHBondContact O-CB 3.12Å; R190-E194 PolarHBondContact O-N 3.04Å
195L91.6Very high94.5Very high43 Ų4344.4 Ų44.423%0.22522%0.222CC..SBendtrans-106.3-5.7-179.1-50.8177000113.4I9 V10 P12 V13 V191 L197I9-L195 WeakPolarHBondContact O-CD1 3.34Å; V10-L195 HydrophobicContact CB-CD1 4.46Å; V10-L195 HydrophobicContact CG1-CD1 4.39Å; P12-L195 HydrophobicContact CB-CD2 4.3Å; P12-L195 HydrophobicContact CG-CD2 4.4Å; V13-L195 HydrophobicContact CG1-CD1 3.83Å; V13-L195 HydrophobicContact CG1-CD2 4.25Å; V13-L195 HydrophobicContact CG1-CG 3.76Å; V13-L195 HydrophobicContact CG2-CD1 4.21Å; V191-L195 VanDerWaalsContact O-CB 3.31Å; V191-L195 WeakPolarHBondContact O-CB 3.01Å; V191-L195 PolarHBondContact O-N 3.23Å; L195-L197 HydrophobicContact CB-CD1 3.92Å; L195-L197 HydrophobicContact CB-CG 3.78Å; L195-L197 HydrophobicContact CD1-CD1 4.18Å; L195-L197 WeakPolarHBondContact O-CG 3.31Å; L195-L197 PolarHBondContact O-N 3.36Å
196H90.3Very high94.4Very high146 Ų14644.2 Ų44.268%0.67622%0.221SC*.  trans56.831.2-176.2-52.8-53.7000113.4V191 Q192 T193V191-H196 PolarHBondContact O-N 2.88Å; Q192-H196 WeakPolarHBondContact O-CA 3.37Å; Q192-H196 PolarHBondContact O-N 3.17Å; T193-H196 PolarHBondContact O-CE1 2.85Å; T193-H196 VanDerWaalsContact O-CE1 3.31Å
197L91.6Very high94.2Very high5 Ų544.2 Ų44.23%0.02622%0.221CC..  trans-101.9100.6179.8-57.5-178.8000110I9 V191 L195 L202 L205 M230I9-L197 HydrophobicContact CG2-CD1 3.59Å; V191-L197 HydrophobicContact CG1-CB 3.75Å; V191-L197 HydrophobicContact CG1-CD1 4.3Å; V191-L197 PolarHBondContact O-N 2.81Å; L195-L197 HydrophobicContact CB-CD1 3.92Å; L195-L197 HydrophobicContact CB-CG 3.78Å; L195-L197 HydrophobicContact CD1-CD1 4.18Å; L195-L197 WeakPolarHBondContact O-CG 3.31Å; L195-L197 PolarHBondContact O-N 3.36Å; L197-L202 HydrophobicContact CB-CD2 3.99Å; L197-L202 HydrophobicContact CB-CG 4.31Å; L197-L202 HydrophobicContact CD1-CD2 3.99Å; L197-L205 HydrophobicContact CD2-CD1 4.05Å; L197-M230 HydrophobicContact CD2-CE 3.19Å; L197-M230 HydrophobicContact CD2-SD 3.8Å
198S93.7Very high93.9Very high31 Ų3141 Ų4122%0.21721%0.206CC..  trans-75163.4168.268.40000111.1E200 N201 L202S198-E200 VanDerWaalsContact C-N 3.26Å; S198-E200 PolarHBondContact O-N 3.43Å; S198-N201 CarbonylContact O-C 3.6Å; S198-N201 WeakPolarHBondContact O-CA 3.45Å; S198-N201 WeakPolarHBondContact O-CB 3.49Å; S198-N201 PolarHBondContact O-N 3.15Å; S198-N201 PolarHBondContact OG-N 3.24Å; S198-N201 PolarHBondContact OG-ND2 3.39Å; S198-L202 WeakPolarHBondContact O-CG 3.49Å; S198-L202 PolarHBondContact O-N 3.44Å
199R94.8Very high93.8Very high88 Ų8840.5 Ų40.533%0.33220%0.203SC..Hα-helixtrans-54-42.6174.4-176.4-179175.2-170.5-0.1112.4L164 Y165 N201 L202 V203 F337 L338L164-R199 PolarHBondContact O-NE 3.09Å; L164-R199 PolarHBondContact O-NH2 2.93Å; Y165-R199 PolarHBondContact O-NH2 3.33Å; R199-N201 VanDerWaalsContact C-N 3.31Å; R199-N201 PolarHBondContact O-N 3.46Å; R199-L202 PolarHBondContact O-N 3.32Å; R199-V203 WeakPolarHBondContact O-CG2 3.42Å; R199-V203 PolarHBondContact O-N 3.35Å; R199-F337 PolarHBondContact NH2-O 3.43Å; R199-L338 HydrophobicContact CG-CD2 4.45Å
200E93.8Very high93.6Very high77 Ų7737.4 Ų37.436%0.3618%0.181SC..Hα-helixtrans-60.8-41175.5-63.8-174.2175.200111.7S198 V203 G204 S237 L239S198-E200 VanDerWaalsContact C-N 3.26Å; S198-E200 PolarHBondContact O-N 3.43Å; E200-V203 PolarHBondContact O-N 2.83Å; E200-G204 PolarHBondContact O-N 2.65Å; E200-S237 WeakPolarHBondContact OE2-CB 3.48Å; E200-S237 PolarHBondContact OE2-OG 3.1Å; E200-L239 HydrophobicContact CB-CB 4.49Å; E200-L239 HydrophobicContact CB-CD1 3.93Å; E200-L239 HydrophobicContact CB-CG 4.18Å; E200-L239 HydrophobicContact CG-CD1 4.18Å; E200-L239 WeakPolarHBondContact O-CG 3.42Å
201N93.9Very high93.3Very high17 Ų1734.7 Ų34.79%0.09117%0.17CC..Hα-helixtrans-66.2-37.8175.3-73.4-20.9000112.4S198 R199 G204 L205 M230 S237 L238S198-N201 CarbonylContact O-C 3.6Å; S198-N201 WeakPolarHBondContact O-CA 3.45Å; S198-N201 WeakPolarHBondContact O-CB 3.49Å; S198-N201 PolarHBondContact O-N 3.15Å; S198-N201 PolarHBondContact OG-N 3.24Å; S198-N201 PolarHBondContact OG-ND2 3.39Å; R199-N201 VanDerWaalsContact C-N 3.31Å; R199-N201 PolarHBondContact O-N 3.46Å; N201-G204 PolarHBondContact O-N 2.79Å; N201-L205 WeakPolarHBondContact O-CB 3.4Å; N201-L205 VanDerWaalsContact O-CG 3.31Å; N201-L205 WeakPolarHBondContact O-CG 3.05Å; N201-L205 PolarHBondContact O-N 3Å; N201-M230 HydrophobicContact CB-CE 3.54Å; N201-M230 HydrophobicContact CB-SD 4.38Å; N201-M230 WeakPolarHBondContact ND2-CE 3.49Å; N201-S237 WeakPolarHBondContact OD1-CA 3.31Å; N201-S237 WeakPolarHBondContact OD1-CB 3.36Å; N201-L238 PolarHBondContact OD1-N 2.86Å
202L94.9Very high92.9Very high1 Ų135.2 Ų35.21%0.00517%0.173CC..Hα-helixtrans-64.3-42.2176.2-67174.2000111.7L6 F163 L164 V191 L197 S198 R199 L205 A206L6-L202 HydrophobicContact CD1-CD2 3.88Å; F163-L202 HydrophobicContact CB-CD1 3.91Å; L164-L202 HydrophobicContact CD1-CB 4.09Å; L164-L202 HydrophobicContact CG-CB 4.48Å; V191-L202 HydrophobicContact CG1-CD1 4.32Å; L197-L202 HydrophobicContact CB-CD2 3.99Å; L197-L202 HydrophobicContact CB-CG 4.31Å; L197-L202 HydrophobicContact CD1-CD2 3.99Å; S198-L202 WeakPolarHBondContact O-CG 3.49Å; S198-L202 PolarHBondContact O-N 3.44Å; R199-L202 PolarHBondContact O-N 3.32Å; L202-L205 HydrophobicContact CD2-CD1 4.47Å; L202-L205 PolarHBondContact O-N 2.93Å; L202-A206 PolarHBondContact O-N 3.44Å
203V95.3Very high92.5Very high0 Ų030 Ų300%015%0.149CC..Hα-helixtrans-64.9-42.4174176.90000110.8L164 R199 E200 L205 A206 I207 L239 I334 F337 L338L164-V203 HydrophobicContact CB-CG2 4.04Å; L164-V203 HydrophobicContact CG-CG2 4.04Å; R199-V203 WeakPolarHBondContact O-CG2 3.42Å; R199-V203 PolarHBondContact O-N 3.35Å; E200-V203 PolarHBondContact O-N 2.83Å; V203-L205 PolarHBondContact O-N 2.97Å; V203-A206 WeakPolarHBondContact O-CB 3.29Å; V203-A206 PolarHBondContact O-N 3.4Å; V203-I207 HydrophobicContact CG1-CD1 4.42Å; V203-I207 WeakPolarHBondContact O-CG1 3.4Å; V203-I207 PolarHBondContact O-N 3.1Å; V203-I207 VanDerWaalsContact O-N 3.12Å; V203-L239 HydrophobicContact CB-CD1 4.24Å; V203-L239 HydrophobicContact CG1-CD1 4.22Å; V203-L239 HydrophobicContact CG1-CD2 4.19Å; V203-I334 HydrophobicContact CG1-CG1 4.46Å; V203-F337 HydrophobicContact CG1-CB 4.47Å; V203-F337 HydrophobicContact CG1-CD2 4.23Å; V203-F337 HydrophobicContact CG2-CB 3.95Å; V203-F337 HydrophobicContact CG2-CG 4.42Å; V203-L338 HydrophobicContact CG2-CD2 4.21Å
204G93.5Very high92.3Very high0 Ų025.7 Ų25.70%012%0.123CC..Hα-helixtrans-61.7-42.4174.800000112.9E200 N201 A206 I207 L208E200-G204 PolarHBondContact O-N 2.65Å; N201-G204 PolarHBondContact O-N 2.79Å; G204-A206 VanDerWaalsContact C-N 3.29Å; G204-A206 PolarHBondContact O-N 3.09Å; G204-I207 PolarHBondContact O-N 2.93Å; G204-L208 WeakPolarHBondContact O-CG 3.28Å; G204-L208 PolarHBondContact O-N 3.13Å
205L93.9Very high91.8Very high1 Ų123.7 Ų23.71%0.00512%0.118CC..Hα-helixtrans-60.2-40173.8-78.7172.7000111.4L197 N201 L202 V203 I207 L208 L209 A226 M230 L238L197-L205 HydrophobicContact CD2-CD1 4.05Å; N201-L205 WeakPolarHBondContact O-CB 3.4Å; N201-L205 VanDerWaalsContact O-CG 3.31Å; N201-L205 WeakPolarHBondContact O-CG 3.05Å; N201-L205 PolarHBondContact O-N 3Å; L202-L205 HydrophobicContact CD2-CD1 4.47Å; L202-L205 PolarHBondContact O-N 2.93Å; V203-L205 PolarHBondContact O-N 2.97Å; L205-I207 VanDerWaalsContact C-N 3.31Å; L205-I207 PolarHBondContact O-N 3.46Å; L205-L208 PolarHBondContact O-N 3.32Å; L205-L209 HydrophobicContact CD2-CD1 4.4Å; L205-L209 WeakPolarHBondContact O-CB 3.28Å; L205-L209 WeakPolarHBondContact O-CG 3.46Å; L205-L209 PolarHBondContact O-N 3.19Å; L205-A226 HydrophobicContact CD2-CB 3.69Å; L205-M230 HydrophobicContact CD1-SD 3.81Å; L205-M230 HydrophobicContact CD2-SD 3.82Å; L205-M230 HydrophobicContact CG-SD 3.8Å; L205-L238 HydrophobicContact CD2-CD1 4.26Å; L205-L238 HydrophobicContact CG-CD1 4.01Å
206A94.1Very high91.5Very high1 Ų129.2 Ų29.21%0.00814%0.14CC..Hα-helixtrans-63.6-35.8177.400000113.4V3 L164 L202 V203 G204 G210 C211V3-A206 HydrophobicContact CB-CB 4.36Å; V3-A206 HydrophobicContact CG1-CB 3.93Å; V3-A206 HydrophobicContact CG2-CB 3.5Å; V3-A206 VanDerWaalsContact CG2-CB 3.5Å; L164-A206 HydrophobicContact CD2-CB 3.55Å; L202-A206 PolarHBondContact O-N 3.44Å; V203-A206 WeakPolarHBondContact O-CB 3.29Å; V203-A206 PolarHBondContact O-N 3.4Å; G204-A206 VanDerWaalsContact C-N 3.29Å; G204-A206 PolarHBondContact O-N 3.09Å; A206-G210 CarbonylContact O-C 3.59Å; A206-G210 WeakPolarHBondContact O-CA 3.27Å; A206-G210 PolarHBondContact O-N 3.19Å; A206-C211 HydrophobicContact CB-CB 4.17Å
207I93.3Very high91.4Very high1 Ų122.5 Ų22.51%0.00511%0.11CC..Hα-helixtrans-68.4-42.8173.6-66.9165.8000110.8V203 G204 L205 G217 I218 L239 F242 F330 I333 I334V203-I207 HydrophobicContact CG1-CD1 4.42Å; V203-I207 WeakPolarHBondContact O-CG1 3.4Å; V203-I207 PolarHBondContact O-N 3.1Å; V203-I207 VanDerWaalsContact O-N 3.12Å; G204-I207 PolarHBondContact O-N 2.93Å; L205-I207 VanDerWaalsContact C-N 3.31Å; L205-I207 PolarHBondContact O-N 3.46Å; I207-G217 CarbonylContact O-C 3.05Å; I207-G217 WeakPolarHBondContact O-CA 3.38Å; I207-I218 PolarHBondContact O-N 2.75Å; I207-L239 HydrophobicContact CD1-CD2 4.2Å; I207-F242 HydrophobicContact CB-CE2 4.29Å; I207-F242 HydrophobicContact CD1-CE2 4.18Å; I207-F242 HydrophobicContact CG2-CE2 4.17Å; I207-F330 HydrophobicContact CD1-CB 4.02Å; I207-F330 HydrophobicContact CD1-CD2 4.32Å; I207-F330 HydrophobicContact CD1-CG 4.36Å; I207-F330 HydrophobicContact CG2-CD1 4.16Å; I207-F330 HydrophobicContact CG2-CD2 3.47Å; I207-F330 VanDerWaalsContact CG2-CD2 3.47Å; I207-F330 HydrophobicContact CG2-CE1 4.23Å; I207-F330 HydrophobicContact CG2-CE2 3.52Å; I207-F330 HydrophobicContact CG2-CG 3.82Å; I207-F330 HydrophobicContact CG2-CZ 3.96Å; I207-I333 HydrophobicContact CG1-CG2 4.48Å; I207-I334 HydrophobicContact CD1-CD1 4.12Å; I207-I334 HydrophobicContact CD1-CG1 3.67Å
208L92.4Very high91.3Very high0 Ų022.3 Ų22.30%011%0.109CC..Hα-helixtrans-69.4-50.1-178.7-66.7-180000112.9G204 L205 G217 I218 V221 A226 L229 L238 F242 V318G204-L208 WeakPolarHBondContact O-CG 3.28Å; G204-L208 PolarHBondContact O-N 3.13Å; L205-L208 PolarHBondContact O-N 3.32Å; L208-G217 WeakPolarHBondContact O-CA 3.46Å; L208-I218 HydrophobicContact CD2-CB 4.42Å; L208-I218 HydrophobicContact CD2-CG1 3.84Å; L208-I218 PolarHBondContact O-N 2.73Å; L208-V221 HydrophobicContact CB-CG1 4.21Å; L208-V221 HydrophobicContact CD2-CG1 4.35Å; L208-A226 HydrophobicContact CB-CB 4.47Å; L208-A226 HydrophobicContact CD1-CB 3.99Å; L208-L229 HydrophobicContact CD1-CD2 4.42Å; L208-L238 HydrophobicContact CD1-CD1 4.22Å; L208-L238 HydrophobicContact CD1-CD2 4.18Å; L208-F242 HydrophobicContact CD1-CZ 4.3Å; L208-F242 HydrophobicContact CD2-CE1 4.15Å; L208-F242 HydrophobicContact CD2-CZ 3.77Å; L208-F242 HydrophobicContact CG-CZ 3.9Å; L208-V318 HydrophobicContact CD2-CG1 4.11Å
209L93.1Very high91Very high16 Ų1625.2 Ų25.28%0.08413%0.127CC..Hα-helixtrans-83.5-26.1-175.3-57180000112.5H4 I9 L205 R223 A226H4-L209 HydrophobicContact CB-CB 4.31Å; H4-L209 PolarHBondContact CD2-O 2.74Å; H4-L209 WeakPolarHBondContact O-CD1 3.25Å; I9-L209 HydrophobicContact CD1-CD1 3.91Å; L205-L209 HydrophobicContact CD2-CD1 4.4Å; L205-L209 WeakPolarHBondContact O-CB 3.28Å; L205-L209 WeakPolarHBondContact O-CG 3.46Å; L205-L209 PolarHBondContact O-N 3.19Å; L209-R223 HydrophobicContact CD2-CB 4.43Å; L209-R223 VanDerWaalsContact CD2-N 3.35Å; L209-A226 HydrophobicContact CD2-CB 4.08Å
210G91.4Very high90.5Very high0 Ų023.7 Ų23.70%014%0.139CC..  trans98.4149.3-175.500000113.2H4 A206 I214 G217H4-G210 PolarHBondContact CD2-O 2.85Å; H4-G210 PolarHBondContact N-O 2.87Å; A206-G210 CarbonylContact O-C 3.59Å; A206-G210 WeakPolarHBondContact O-CA 3.27Å; A206-G210 PolarHBondContact O-N 3.19Å; G210-I214 CarbonylContact C-O 3.54Å; G210-I214 WeakPolarHBondContact CA-O 3.49Å; G210-G217 VanDerWaalsContact CA-CA 3.49Å
211C90.4Very high90.2Very high1 Ų120.5 Ų20.51%0.00713%0.125CC..BIsolated β-bridgetrans-147.7-172.1177.668.20000110V3 A206 Y213 I214 P215V3-C211 HydrophobicContact CB-CB 4.48Å; V3-C211 HydrophobicContact CG2-CB 4.01Å; A206-C211 HydrophobicContact CB-CB 4.17Å; C211-Y213 PolarHBondContact O-N 3.06Å; C211-Y213 VanDerWaalsContact O-N 3.08Å; C211-I214 PolarHBondContact N-O 3.46Å; C211-I214 VanDerWaalsContact N-O 3.09Å; C211-I214 CarbonylContact O-C 3.5Å; C211-I214 PolarHBondContact O-N 3.15Å; C211-P215 VanDerWaalsContact O-CA 3.31Å; C211-P215 WeakPolarHBondContact O-CA 3.39Å
212D86.8Confident89.9Confident12 Ų1221.4 Ų21.46%0.06414%0.137CC..THydrogen-bonded Turntrans-61.9-19.2-178.1-77.4-6.3000114K82 T85K82-D212 HydrophobicContact CG-CB 4.49Å; K82-D212 IonicContact NZ-OD2 3.37Å; T85-D212 WeakPolarHBondContact CG2-O 3.34Å
213Y86.6Confident89.6Confident1 Ų125.8 Ų25.80%0.00415%0.154CC..THydrogen-bonded Turntrans-91.4-26.4175.2-57.2-85.7000113.6P79 L81 K82 E138 Y165 C211 E336 F337P79-Y213 HydrophobicContact CB-CE1 4.21Å; P79-Y213 HydrophobicContact CG-CE1 4.14Å; L81-Y213 HydrophobicContact CB-CD1 4Å; K82-Y213 HydrophobicContact CB-CD1 4.08Å; K82-Y213 HydrophobicContact CB-CE1 3.81Å; E138-Y213 WeakPolarHBondContact CG-OH 3.22Å; Y165-Y213 PolarHBondContact OH-OH 2.98Å; C211-Y213 PolarHBondContact O-N 3.06Å; C211-Y213 VanDerWaalsContact O-N 3.08Å; Y213-E336 HydrophobicContact CD1-CG 4.34Å; Y213-E336 HydrophobicContact CE1-CG 3.66Å; Y213-E336 HydrophobicContact CE2-CG 4.45Å; Y213-F337 HydrophobicContact CD2-CE1 4.33Å; Y213-F337 AromaticContact CD2-CE2 3.72Å; Y213-F337 HydrophobicContact CD2-CE2 3.72Å; Y213-F337 AromaticContact CD2-CZ 3.42Å; Y213-F337 HydrophobicContact CD2-CZ 3.42Å; Y213-F337 VanDerWaalsContact CD2-CZ 3.42Å; Y213-F337 AromaticContact CE2-CE1 3.82Å; Y213-F337 HydrophobicContact CE2-CE1 3.82Å; Y213-F337 HydrophobicContact CE2-CE2 4.01Å; Y213-F337 AromaticContact CE2-CZ 3.36Å; Y213-F337 HydrophobicContact CE2-CZ 3.36Å
214I88.3Confident89.3Confident4 Ų432.2 Ų32.22%0.02118%0.184CC..BIsolated β-bridgetrans-139.380.7179.2-174.7172.1000109.9G210 C211 K216 G217 F330 I333G210-I214 CarbonylContact C-O 3.54Å; G210-I214 WeakPolarHBondContact CA-O 3.49Å; C211-I214 PolarHBondContact N-O 3.46Å; C211-I214 VanDerWaalsContact N-O 3.09Å; C211-I214 CarbonylContact O-C 3.5Å; C211-I214 PolarHBondContact O-N 3.15Å; I214-K216 PolarHBondContact O-N 2.94Å; I214-G217 PolarHBondContact O-N 2.81Å; I214-F330 HydrophobicContact CD1-CD1 4.34Å; I214-F330 HydrophobicContact CD1-CE1 4.01Å; I214-I333 HydrophobicContact CB-CD1 3.99Å; I214-I333 HydrophobicContact CG2-CD1 4.2Å
215P84.4Confident89.1Confident53 Ų5335.3 Ų35.334%0.34420%0.198SC..THydrogen-bonded Turntrans-65.4-21.9-164.1-25.634.6000115.7H4 T85 C211H4-P215 PolarHBondContact NE2-O 2.93Å; H4-P215 VanDerWaalsContact NE2-O 3.15Å; T85-P215 HydrophobicContact CG2-CG 3.03Å; C211-P215 VanDerWaalsContact O-CA 3.31Å; C211-P215 WeakPolarHBondContact O-CA 3.39Å
216K84.3Confident88.9Confident159 Ų15935.2 Ų35.269%0.69120%0.198SC*.THydrogen-bonded Turntrans-98.5-6.8-179.7-66.9-172.8179.6-179.50112.7I214I214-K216 PolarHBondContact O-N 2.94Å
217G89.1Confident88.6Confident5 Ų537.3 Ų37.35%0.05221%0.209CC..  trans50.1-144.1-16700000111.8I207 L208 G210 I214 P219I207-G217 CarbonylContact O-C 3.05Å; I207-G217 WeakPolarHBondContact O-CA 3.38Å; L208-G217 WeakPolarHBondContact O-CA 3.46Å; G210-G217 VanDerWaalsContact CA-CA 3.49Å; I214-G217 PolarHBondContact O-N 2.81Å; G217-P219 WeakPolarHBondContact O-CD 3.49Å
218I90.3Very high88.4Confident1 Ų144.3 Ų44.31%0.00524%0.235CC..SBendtrans-90116.4172.5-55.2-54.2000109.4I207 L208 G220 V221 K321 F330I207-I218 PolarHBondContact O-N 2.75Å; L208-I218 HydrophobicContact CD2-CB 4.42Å; L208-I218 HydrophobicContact CD2-CG1 3.84Å; L208-I218 PolarHBondContact O-N 2.73Å; I218-G220 PolarHBondContact O-N 2.75Å; I218-V221 HydrophobicContact CB-CB 4.26Å; I218-V221 HydrophobicContact CB-CG2 4.05Å; I218-V221 HydrophobicContact CG2-CB 4.5Å; I218-V221 HydrophobicContact CG2-CG2 3.77Å; I218-V221 PolarHBondContact O-N 2.77Å; I218-K321 HydrophobicContact CG2-CB 3.66Å; I218-F330 HydrophobicContact CD1-CE1 4.16Å; I218-F330 HydrophobicContact CD1-CE2 4.21Å; I218-F330 HydrophobicContact CD1-CZ 3.48Å; I218-F330 VanDerWaalsContact CD1-CZ 3.48Å
219P86.4Confident88.1Confident92 Ų9244.3 Ų44.360%0.59724%0.235SC*.THydrogen-bonded Turntrans-55.4126-177.1-2735.2000112.8G217 V221G217-P219 WeakPolarHBondContact O-CD 3.49Å; P219-V221 VanDerWaalsContact C-N 3.34Å
220G83.6Confident87.8Confident55 Ų5545 Ų4557%0.56724%0.238SC*.THydrogen-bonded Turntrans79.113178.500000114.7I218 Q225 K321I218-G220 PolarHBondContact O-N 2.75Å; G220-Q225 PolarHBondContact O-OE1 2.96Å; G220-K321 PolarHBondContact O-NZ 2.93Å
221V87.6Confident87.4Confident11 Ų1152.6 Ų52.67%0.06727%0.274CS..  trans-107.9112164.4-176.40000108L208 I218 P219 Q225 A226 V318 K321L208-V221 HydrophobicContact CB-CG1 4.21Å; L208-V221 HydrophobicContact CD2-CG1 4.35Å; I218-V221 HydrophobicContact CB-CB 4.26Å; I218-V221 HydrophobicContact CB-CG2 4.05Å; I218-V221 HydrophobicContact CG2-CB 4.5Å; I218-V221 HydrophobicContact CG2-CG2 3.77Å; I218-V221 PolarHBondContact O-N 2.77Å; P219-V221 VanDerWaalsContact C-N 3.34Å; V221-Q225 HydrophobicContact CG1-CB 4.29Å; V221-A226 HydrophobicContact CG1-CB 4.47Å; V221-V318 HydrophobicContact CG1-CG2 4.45Å; V221-V318 HydrophobicContact CG2-CG1 4.19Å; V221-V318 HydrophobicContact CG2-CG2 4.28Å; V221-K321 HydrophobicContact CG2-CD 3.91Å
222G87.8Confident87.1Confident35 Ų3554.7 Ų54.736%0.36129%0.287SS..  trans-106177.4178.300000112.8E224 Q225 A226G222-E224 VanDerWaalsContact C-N 3.32Å; G222-E224 PolarHBondContact O-N 2.89Å; G222-Q225 PolarHBondContact O-N 3.41Å; G222-Q225 VanDerWaalsContact O-N 3.08Å; G222-A226 PolarHBondContact O-N 3.4Å
223R90.1Very high86.7Confident93 Ų9354.3 Ų54.335%0.35128%0.284SS..Hα-helixtrans-45.3-51.8178.9177.7-177.1172.6177.84113.3S8 I9 L209 Q225 A226 L227S8-R223 VanDerWaalsContact CB-NH1 3.28Å; S8-R223 PolarHBondContact O-NH2 3.03Å; I9-R223 HydrophobicContact CD1-CG 4.23Å; I9-R223 HydrophobicContact CG1-CG 4.23Å; L209-R223 HydrophobicContact CD2-CB 4.43Å; L209-R223 VanDerWaalsContact CD2-N 3.35Å; R223-Q225 PolarHBondContact O-N 3.38Å; R223-A226 PolarHBondContact O-N 2.94Å; R223-L227 HydrophobicContact CG-CD1 3.89Å; R223-L227 HydrophobicContact CG-CG 4.46Å; R223-L227 WeakPolarHBondContact O-CB 3.42Å; R223-L227 WeakPolarHBondContact O-CG 3.35Å; R223-L227 PolarHBondContact O-N 2.85Å
224E88.9Confident85.9Confident135 Ų13565.1 Ų65.163%0.63133%0.325SS*.Hα-helixtrans-63.4-41.1-177.3-66.1-174.3-175.500112.8G222 R228G222-E224 VanDerWaalsContact C-N 3.32Å; G222-E224 PolarHBondContact O-N 2.89Å; E224-R228 WeakPolarHBondContact O-CB 3.43Å; E224-R228 VanDerWaalsContact O-CG 3.24Å; E224-R228 WeakPolarHBondContact O-CG 3.42Å; E224-R228 PolarHBondContact O-N 3.28Å; E224-R228 IonicContact OE2-NH2 2.97Å
225Q88.6Confident85.2Confident65 Ų6569 Ų6930%0.30437%0.366SS..Hα-helixtrans-68.1-41.5178.9-69.4-178.14.300111G220 V221 G222 R223 R228 L229 L314G220-Q225 PolarHBondContact O-OE1 2.96Å; V221-Q225 HydrophobicContact CG1-CB 4.29Å; G222-Q225 PolarHBondContact O-N 3.41Å; G222-Q225 VanDerWaalsContact O-N 3.08Å; R223-Q225 PolarHBondContact O-N 3.38Å; Q225-R228 PolarHBondContact O-N 3.04Å; Q225-L229 WeakPolarHBondContact O-CB 3.44Å; Q225-L229 PolarHBondContact O-N 2.83Å; Q225-L314 HydrophobicContact CB-CD1 4.29Å; Q225-L314 HydrophobicContact CG-CD1 4.26Å
226A89.4Confident85.3Confident0 Ų069.5 Ų69.50%036%0.364CS..Hα-helixtrans-64.1-45178.300000111.6L205 L208 L209 V221 G222 R223 L229 M230L205-A226 HydrophobicContact CD2-CB 3.69Å; L208-A226 HydrophobicContact CB-CB 4.47Å; L208-A226 HydrophobicContact CD1-CB 3.99Å; L209-A226 HydrophobicContact CD2-CB 4.08Å; V221-A226 HydrophobicContact CG1-CB 4.47Å; G222-A226 PolarHBondContact O-N 3.4Å; R223-A226 PolarHBondContact O-N 2.94Å; A226-L229 WeakPolarHBondContact O-CB 3.26Å; A226-L229 PolarHBondContact O-N 3.14Å; A226-M230 WeakPolarHBondContact O-CG 3.15Å; A226-M230 PolarHBondContact O-N 2.84Å
227L88.9Confident85.5Confident45 Ų4562.2 Ų62.224%0.23633%0.333CS..Hα-helixtrans-67.6-39.5177.1-67.6176.4000112.7I9 R223 L229 M230 Q231I9-L227 HydrophobicContact CD1-CD2 4.49Å; I9-L227 HydrophobicContact CG1-CD1 4.43Å; I9-L227 HydrophobicContact CG2-CD2 4.27Å; R223-L227 HydrophobicContact CG-CD1 3.89Å; R223-L227 HydrophobicContact CG-CG 4.46Å; R223-L227 WeakPolarHBondContact O-CB 3.42Å; R223-L227 WeakPolarHBondContact O-CG 3.35Å; R223-L227 PolarHBondContact O-N 2.85Å; L227-L229 VanDerWaalsContact C-N 3.35Å; L227-M230 WeakPolarHBondContact O-CB 3.25Å; L227-M230 PolarHBondContact O-N 3.17Å; L227-Q231 WeakPolarHBondContact O-CG 3.22Å; L227-Q231 PolarHBondContact O-N 3.42Å
228R87.4Confident85.5Confident148 Ų14862 Ų6256%0.55833%0.33SS*.Hα-helixtrans-65.1-38.7174.4-75.9179.4-170.7178.68.6112.3E224 Q225 M230 Q231 T232 L314E224-R228 WeakPolarHBondContact O-CB 3.43Å; E224-R228 VanDerWaalsContact O-CG 3.24Å; E224-R228 WeakPolarHBondContact O-CG 3.42Å; E224-R228 PolarHBondContact O-N 3.28Å; E224-R228 IonicContact OE2-NH2 2.97Å; Q225-R228 PolarHBondContact O-N 3.04Å; R228-M230 VanDerWaalsContact C-N 3.34Å; R228-Q231 PolarHBondContact O-N 3.07Å; R228-T232 PolarHBondContact O-N 2.85Å; R228-T232 PolarHBondContact O-OG1 3.11Å; R228-L314 HydrophobicContact CB-CD2 3.61Å
229L87.3Confident85.4Confident0 Ų062.6 Ų62.60%033%0.334CS..Hα-helixtrans-58.6-50.5173.3176.963.5000109.1L208 Q225 A226 L227 Q231 T232 L233 L238 W245 L314 E315 V318L208-L229 HydrophobicContact CD1-CD2 4.42Å; Q225-L229 WeakPolarHBondContact O-CB 3.44Å; Q225-L229 PolarHBondContact O-N 2.83Å; A226-L229 WeakPolarHBondContact O-CB 3.26Å; A226-L229 PolarHBondContact O-N 3.14Å; L227-L229 VanDerWaalsContact C-N 3.35Å; L229-Q231 VanDerWaalsContact C-N 3.35Å; L229-Q231 PolarHBondContact O-N 2.45Å; L229-T232 WeakPolarHBondContact O-CA 3.48Å; L229-T232 WeakPolarHBondContact O-CB 3.12Å; L229-T232 PolarHBondContact O-N 3.35Å; L229-L233 HydrophobicContact CD1-CD2 4.29Å; L229-L233 HydrophobicContact CD1-CG 4.47Å; L229-L233 HydrophobicContact CG-CD1 4.27Å; L229-L233 HydrophobicContact CG-CG 4.45Å; L229-L233 WeakPolarHBondContact O-CG 3.32Å; L229-L233 PolarHBondContact O-N 3.48Å; L229-L238 HydrophobicContact CD2-CD2 3.81Å; L229-L238 HydrophobicContact CG-CD2 4.22Å; L229-W245 HydrophobicContact CD2-CH2 4.07Å; L229-W245 HydrophobicContact CD2-CZ2 4.47Å; L229-L314 HydrophobicContact CB-CD2 4.5Å; L229-E315 HydrophobicContact CD1-CB 4.06Å; L229-E315 HydrophobicContact CD1-CG 4.02Å; L229-V318 HydrophobicContact CD2-CB 4.27Å; L229-V318 HydrophobicContact CD2-CG1 3.87Å; L229-V318 HydrophobicContact CD2-CG2 4.4Å
230M85.7Confident85.5Confident29 Ų2962.3 Ų62.314%0.14332%0.324CS..Hα-helixtrans-57.2-42.6179-72.5-173.46000114.3L197 N201 L205 A226 L227 R228 T232 L233 L238L197-M230 HydrophobicContact CD2-CE 3.19Å; L197-M230 HydrophobicContact CD2-SD 3.8Å; N201-M230 HydrophobicContact CB-CE 3.54Å; N201-M230 HydrophobicContact CB-SD 4.38Å; N201-M230 WeakPolarHBondContact ND2-CE 3.49Å; L205-M230 HydrophobicContact CD1-SD 3.81Å; L205-M230 HydrophobicContact CD2-SD 3.82Å; L205-M230 HydrophobicContact CG-SD 3.8Å; A226-M230 WeakPolarHBondContact O-CG 3.15Å; A226-M230 PolarHBondContact O-N 2.84Å; L227-M230 WeakPolarHBondContact O-CB 3.25Å; L227-M230 PolarHBondContact O-N 3.17Å; R228-M230 VanDerWaalsContact C-N 3.34Å; M230-T232 PolarHBondContact O-N 3.25Å; M230-L233 PolarHBondContact O-N 2.68Å; M230-L233 VanDerWaalsContact O-N 3.09Å; M230-L238 HydrophobicContact CG-CD1 3.8Å; M230-L238 HydrophobicContact CG-CD2 4.09Å; M230-L238 HydrophobicContact CG-CG 3.96Å; M230-L238 HydrophobicContact SD-CD1 3.88Å
231Q84Confident85.7Confident161 Ų16161.9 Ų61.975%0.75231%0.306SS*.Hα-helixtrans-60.6-28.1175.2-71174.2-2.300112.5L227 R228 L229L227-Q231 WeakPolarHBondContact O-CG 3.22Å; L227-Q231 PolarHBondContact O-N 3.42Å; R228-Q231 PolarHBondContact O-N 3.07Å; L229-Q231 VanDerWaalsContact C-N 3.35Å; L229-Q231 PolarHBondContact O-N 2.45Å
232T83.1Confident85.6Confident44 Ų4461.6 Ų61.627%0.2730%0.304SS..Hα-helixtrans-77.2-25.8178.3-53.80000112.2R228 L229 M230 R234 A311R228-T232 PolarHBondContact O-N 2.85Å; R228-T232 PolarHBondContact O-OG1 3.11Å; L229-T232 WeakPolarHBondContact O-CA 3.48Å; L229-T232 WeakPolarHBondContact O-CB 3.12Å; L229-T232 PolarHBondContact O-N 3.35Å; M230-T232 PolarHBondContact O-N 3.25Å; T232-R234 PolarHBondContact O-N 3.31Å; T232-A311 HydrophobicContact CG2-CB 3.37Å
233L78.9Confident85.5Confident4 Ų463.4 Ų63.42%0.02131%0.308CS..THydrogen-bonded Turntrans-75.46.7-167.9-67.8-179.7000116.3L229 M230 G235 Q236 L238 R241L229-L233 HydrophobicContact CD1-CD2 4.29Å; L229-L233 HydrophobicContact CD1-CG 4.47Å; L229-L233 HydrophobicContact CG-CD1 4.27Å; L229-L233 HydrophobicContact CG-CG 4.45Å; L229-L233 WeakPolarHBondContact O-CG 3.32Å; L229-L233 PolarHBondContact O-N 3.48Å; M230-L233 PolarHBondContact O-N 2.68Å; M230-L233 VanDerWaalsContact O-N 3.09Å; L233-G235 PolarHBondContact O-N 3.01Å; L233-Q236 PolarHBondContact O-N 3.07Å; L233-L238 HydrophobicContact CD1-CD2 3.66Å; L233-L238 HydrophobicContact CD1-CG 4.29Å; L233-R241 HydrophobicContact CD1-CG 3.96Å; L233-R241 HydrophobicContact CD2-CG 3.55Å; L233-R241 HydrophobicContact CG-CG 4.33Å
234R70.7Confident85.4Confident229 Ų22961.4 Ų61.486%0.86430%0.302SS*.THydrogen-bonded Turntrans38.740.4169.2-63.8-172.8-173.9-176.33.3115.6T232T232-R234 PolarHBondContact O-N 3.31Å
235G73.7Confident85.2Confident85 Ų8555.1 Ų55.188%0.87627%0.273SS*.THydrogen-bonded Turntrans98.2-3176.600000116.3L233L233-G235 PolarHBondContact O-N 3.01Å
236Q85.1Confident84.7Confident63 Ų6357.1 Ų57.129%0.29428%0.282SS..  trans-85147.6168.2-69.4170.3-43.500110.9L233L233-Q236 PolarHBondContact O-N 3.07Å
237S89.3Confident84.2Confident6 Ų664.2 Ų64.24%0.04232%0.315CS..  trans-82.5158.3175.776.20000112.4E200 N201 L239 Q240 R241E200-S237 WeakPolarHBondContact OE2-CB 3.48Å; E200-S237 PolarHBondContact OE2-OG 3.1Å; N201-S237 WeakPolarHBondContact OD1-CA 3.31Å; N201-S237 WeakPolarHBondContact OD1-CB 3.36Å; S237-L239 PolarHBondContact O-N 2.83Å; S237-Q240 VanDerWaalsContact N-OE1 3.11Å; S237-Q240 PolarHBondContact O-N 3.25Å; S237-Q240 VanDerWaalsContact OG-CG 3.25Å; S237-Q240 WeakPolarHBondContact OG-CG 3.25Å; S237-Q240 PolarHBondContact OG-N 3.06Å; S237-R241 PolarHBondContact O-N 3.02Å; S237-R241 VanDerWaalsContact O-N 3.09Å
238L89Confident83.6Confident0 Ų065.9 Ų65.90%032%0.322CS..Hα-helixtrans-58.1-39.1173.6-75172.6000112N201 L205 L208 L229 M230 L233 R241 F242N201-L238 PolarHBondContact OD1-N 2.86Å; L205-L238 HydrophobicContact CD2-CD1 4.26Å; L205-L238 HydrophobicContact CG-CD1 4.01Å; L208-L238 HydrophobicContact CD1-CD1 4.22Å; L208-L238 HydrophobicContact CD1-CD2 4.18Å; L229-L238 HydrophobicContact CD2-CD2 3.81Å; L229-L238 HydrophobicContact CG-CD2 4.22Å; M230-L238 HydrophobicContact CG-CD1 3.8Å; M230-L238 HydrophobicContact CG-CD2 4.09Å; M230-L238 HydrophobicContact CG-CG 3.96Å; M230-L238 HydrophobicContact SD-CD1 3.88Å; L233-L238 HydrophobicContact CD1-CD2 3.66Å; L233-L238 HydrophobicContact CD1-CG 4.29Å; L238-R241 PolarHBondContact O-N 3.3Å; L238-F242 HydrophobicContact CB-CZ 4.39Å; L238-F242 WeakPolarHBondContact O-CD1 3.43Å; L238-F242 VanDerWaalsContact O-CG 3.26Å; L238-F242 WeakPolarHBondContact O-CG 3.47Å; L238-F242 PolarHBondContact O-N 3.02Å
239L89Confident82.1Confident14 Ų1463.4 Ų63.47%0.07333%0.327CS..Hα-helixtrans-66-43.5178.7-61.5-173.4000111.8E200 V203 I207 S237 R241 F242 T243 I334 L338E200-L239 HydrophobicContact CB-CB 4.49Å; E200-L239 HydrophobicContact CB-CD1 3.93Å; E200-L239 HydrophobicContact CB-CG 4.18Å; E200-L239 HydrophobicContact CG-CD1 4.18Å; E200-L239 WeakPolarHBondContact O-CG 3.42Å; V203-L239 HydrophobicContact CB-CD1 4.24Å; V203-L239 HydrophobicContact CG1-CD1 4.22Å; V203-L239 HydrophobicContact CG1-CD2 4.19Å; I207-L239 HydrophobicContact CD1-CD2 4.2Å; S237-L239 PolarHBondContact O-N 2.83Å; L239-R241 PolarHBondContact O-N 3.19Å; L239-F242 HydrophobicContact CD2-CD2 4.07Å; L239-F242 HydrophobicContact CD2-CE2 4.32Å; L239-F242 PolarHBondContact O-N 2.91Å; L239-T243 PolarHBondContact O-N 3.42Å; L239-T243 VanDerWaalsContact O-N 3.13Å; L239-T243 PolarHBondContact O-OG1 3.25Å; L239-I334 HydrophobicContact CD1-CG2 4.12Å; L239-I334 HydrophobicContact CD2-CD1 3.95Å; L239-I334 HydrophobicContact CD2-CG1 4.05Å; L239-L338 HydrophobicContact CD1-CD1 4.03Å
240Q87.6Confident80.6Confident86 Ų8669.1 Ų69.140%0.40236%0.364SS..Hα-helixtrans-58.2-39.6174.7-72.4168.6-1.400111.5S237 T243 Q244S237-Q240 VanDerWaalsContact N-OE1 3.11Å; S237-Q240 PolarHBondContact O-N 3.25Å; S237-Q240 VanDerWaalsContact OG-CG 3.25Å; S237-Q240 WeakPolarHBondContact OG-CG 3.25Å; S237-Q240 PolarHBondContact OG-N 3.06Å; Q240-T243 PolarHBondContact O-N 3.22Å; Q240-Q244 WeakPolarHBondContact O-CG 3.43Å; Q240-Q244 PolarHBondContact O-N 3.4Å
241R87.9Confident79.2Confident46 Ų4673.4 Ų73.417%0.17439%0.388CS..Hα-helixtrans-68.9-37.6176-76-52.5-165.5157.86.2114L233 S237 L238 L239 T243 Q244 W245 E248 E315L233-R241 HydrophobicContact CD1-CG 3.96Å; L233-R241 HydrophobicContact CD2-CG 3.55Å; L233-R241 HydrophobicContact CG-CG 4.33Å; S237-R241 PolarHBondContact O-N 3.02Å; S237-R241 VanDerWaalsContact O-N 3.09Å; L238-R241 PolarHBondContact O-N 3.3Å; L239-R241 PolarHBondContact O-N 3.19Å; R241-T243 VanDerWaalsContact C-N 3.28Å; R241-T243 PolarHBondContact O-N 3.31Å; R241-Q244 VanDerWaalsContact CZ-OE1 3.32Å; R241-Q244 PolarHBondContact O-N 2.97Å; R241-W245 VanDerWaalsContact O-CG 3.24Å; R241-W245 PolarHBondContact O-N 3.41Å; R241-E248 IonicContact NH1-OE1 3.84Å; R241-E315 IonicContact CZ-OE1 3.91Å; R241-E315 IonicContact NH1-OE1 3.89Å
242F86.4Confident77.4Confident5 Ų571.6 Ų71.62%0.02239%0.388CS..Hα-helixtrans-59.5-42173.6-63.2-16.9000111.4I207 L208 L238 L239 W245 E246 T322 F328I207-F242 HydrophobicContact CB-CE2 4.29Å; I207-F242 HydrophobicContact CD1-CE2 4.18Å; I207-F242 HydrophobicContact CG2-CE2 4.17Å; L208-F242 HydrophobicContact CD1-CZ 4.3Å; L208-F242 HydrophobicContact CD2-CE1 4.15Å; L208-F242 HydrophobicContact CD2-CZ 3.77Å; L208-F242 HydrophobicContact CG-CZ 3.9Å; L238-F242 HydrophobicContact CB-CZ 4.39Å; L238-F242 WeakPolarHBondContact O-CD1 3.43Å; L238-F242 VanDerWaalsContact O-CG 3.26Å; L238-F242 WeakPolarHBondContact O-CG 3.47Å; L238-F242 PolarHBondContact O-N 3.02Å; L239-F242 HydrophobicContact CD2-CD2 4.07Å; L239-F242 HydrophobicContact CD2-CE2 4.32Å; L239-F242 PolarHBondContact O-N 2.91Å; F242-W245 AromaticContact CD1-CE3 3.75Å; F242-W245 HydrophobicContact CD1-CE3 3.75Å; F242-W245 HydrophobicContact CD1-CH2 4.15Å; F242-W245 AromaticContact CD1-CZ3 3.47Å; F242-W245 HydrophobicContact CD1-CZ3 3.47Å; F242-W245 VanDerWaalsContact CD1-CZ3 3.47Å; F242-W245 HydrophobicContact CE1-CE3 4.3Å; F242-W245 AromaticContact CE1-CH2 3.99Å; F242-W245 HydrophobicContact CE1-CH2 3.99Å; F242-W245 AromaticContact CE1-CZ3 3.55Å; F242-W245 HydrophobicContact CE1-CZ3 3.55Å; F242-W245 PolarHBondContact O-N 3.28Å; F242-E246 PolarHBondContact O-N 3.12Å; F242-T322 HydrophobicContact CD1-CG2 4.48Å; F242-F328 HydrophobicContact CB-CE2 4.32Å; F242-F328 WeakPolarHBondContact O-CZ 3.41Å
243T85.4Confident75.9Confident74 Ų7475.4 Ų75.445%0.45441%0.413SS..Hα-helixtrans-65.6-38.8174.5-51.20000112.6L239 Q240 R241 E246L239-T243 PolarHBondContact O-N 3.42Å; L239-T243 VanDerWaalsContact O-N 3.13Å; L239-T243 PolarHBondContact O-OG1 3.25Å; Q240-T243 PolarHBondContact O-N 3.22Å; R241-T243 VanDerWaalsContact C-N 3.28Å; R241-T243 PolarHBondContact O-N 3.31Å; T243-E246 WeakPolarHBondContact O-CB 3.47Å; T243-E246 PolarHBondContact O-N 3.08Å
244Q86.3Confident74.8Confident50 Ų5081 Ų8123%0.23445%0.447CS..Hα-helixtrans-67.5-40.6177.3-72.9170.414.900112.3Q240 R241 E246 Q247 E248Q240-Q244 WeakPolarHBondContact O-CG 3.43Å; Q240-Q244 PolarHBondContact O-N 3.4Å; R241-Q244 VanDerWaalsContact CZ-OE1 3.32Å; R241-Q244 PolarHBondContact O-N 2.97Å; Q244-E246 PolarHBondContact O-N 3.12Å; Q244-Q247 PolarHBondContact O-N 3.47Å; Q244-E248 WeakPolarHBondContact O-CG 3.4Å; Q244-E248 PolarHBondContact O-N 3.48Å
245W85.4Confident74.3Confident3 Ų372.9 Ų72.91%0.01144%0.435CS..Hα-helixtrans-62.1-25.4179.1-69.8-12.9000113.8L229 R241 F242 Q247 E315 V318 R319 T322L229-W245 HydrophobicContact CD2-CH2 4.07Å; L229-W245 HydrophobicContact CD2-CZ2 4.47Å; R241-W245 VanDerWaalsContact O-CG 3.24Å; R241-W245 PolarHBondContact O-N 3.41Å; F242-W245 AromaticContact CD1-CE3 3.75Å; F242-W245 HydrophobicContact CD1-CE3 3.75Å; F242-W245 HydrophobicContact CD1-CH2 4.15Å; F242-W245 AromaticContact CD1-CZ3 3.47Å; F242-W245 HydrophobicContact CD1-CZ3 3.47Å; F242-W245 VanDerWaalsContact CD1-CZ3 3.47Å; F242-W245 HydrophobicContact CE1-CE3 4.3Å; F242-W245 AromaticContact CE1-CH2 3.99Å; F242-W245 HydrophobicContact CE1-CH2 3.99Å; F242-W245 AromaticContact CE1-CZ3 3.55Å; F242-W245 HydrophobicContact CE1-CZ3 3.55Å; F242-W245 PolarHBondContact O-N 3.28Å; W245-Q247 VanDerWaalsContact C-N 3.35Å; W245-E315 HydrophobicContact CZ2-CG 3.77Å; W245-E315 PolarHBondContact NE1-OE1 2.94Å; W245-V318 HydrophobicContact CH2-CB 4.28Å; W245-V318 HydrophobicContact CH2-CG1 3.79Å; W245-V318 HydrophobicContact CZ3-CG1 4.22Å; W245-R319 HydrophobicContact CB-CG 4Å; W245-R319 HydrophobicContact CD2-CB 3.78Å; W245-R319 HydrophobicContact CD2-CG 3.67Å; W245-R319 HydrophobicContact CE3-CB 4.02Å; W245-R319 HydrophobicContact CE3-CG 4.08Å; W245-R319 HydrophobicContact CG-CB 4.24Å; W245-R319 HydrophobicContact CG-CG 3.63Å; W245-R319 HydrophobicContact CH2-CB 4.39Å; W245-R319 HydrophobicContact CZ2-CB 4.17Å; W245-R319 HydrophobicContact CZ3-CB 4.31Å; W245-R319 PolarHBondContact O-NH2 3Å; W245-T322 HydrophobicContact CE3-CG2 4.29Å; W245-T322 HydrophobicContact CZ3-CG2 4.1Å
246E77.6Confident73.9Confident107 Ų10774.7 Ų74.750%0.543%0.429SS..Hα-helixtrans-68.4-34.1172.1-174.3176-141.500111.9F242 T243 Q244 F328F242-E246 PolarHBondContact O-N 3.12Å; T243-E246 WeakPolarHBondContact O-CB 3.47Å; T243-E246 PolarHBondContact O-N 3.08Å; Q244-E246 PolarHBondContact O-N 3.12Å; E246-F328 HydrophobicContact CB-CE1 4.1Å; E246-F328 HydrophobicContact CB-CZ 4.15Å; E246-F328 HydrophobicContact CG-CE1 4.36Å
247Q79.6Confident73.3Confident149 Ų14973 Ų7370%0.69643%0.425SS*.Hα-helixtrans-95.1-26-173.4-61.6177.35.800113.2Q244 W245Q244-Q247 PolarHBondContact O-N 3.47Å; W245-Q247 VanDerWaalsContact C-N 3.35Å
248E76.3Confident72.6Confident80 Ų8081.7 Ų81.737%0.37446%0.462SS..PPolyproline II helixtrans-77140.4-176.8-74172.1178.800112.5R241 Q244 R319R241-E248 IonicContact NH1-OE1 3.84Å; Q244-E248 WeakPolarHBondContact O-CG 3.4Å; Q244-E248 PolarHBondContact O-N 3.48Å; E248-R319 PolarHBondContact O-NH2 3.5Å; E248-R319 IonicContact OE2-NH1 3.66Å
249S56.5Low72.3Confident96 Ų9689.3 Ų89.367%0.67150%0.496SS*.PPolyproline II helixtrans-76.4168.5168.4-62.90000111.3D251 R319S249-D251 PolarHBondContact O-N 2.96Å; S249-R319 PolarHBondContact O-NH1 2.78Å
250P56.1Low72Confident120 Ų12091.3 Ų91.378%0.77951%0.508SS*.PPolyproline II helixtrans-60.5136.5177.1-15.227.2000111.2
251D54.5Low71.7Confident120 Ų12090.9 Ų90.964%0.64251%0.513SS*.PPolyproline II helixtrans-54.8135.8-175.9-87.2-43.9000113.7S249S249-D251 PolarHBondContact O-N 2.96Å
252V46.6Very low71.6Confident123 Ų12390.9 Ų90.975%0.74552%0.515SS*.PPolyproline II helixtrans-82.1128.8164.8-178.80000107.8V254V252-V254 PolarHBondContact O-N 2.95Å
253P52.4Low71.5Confident123 Ų12390.9 Ų90.980%0.79952%0.515SS*.PPolyproline II helixtrans-63.7122.2-178.93.7-1.3000111.4
254V55.6Low71.4Confident122 Ų12294.5 Ų94.574%0.73953%0.532SS*.PPolyproline II helixtrans-72.8141.7172.5-176.20000109.7V252V252-V254 PolarHBondContact O-N 2.95Å
255G60.2Low71.1Confident59 Ų5997 Ų9761%0.60855%0.547SS*.PPolyproline II helixtrans-55.7147.7-172.300000115.4Y305G255-Y305 WeakPolarHBondContact O-CE2 3.24Å
256V64.6Low71Confident122 Ų12296.9 Ų96.974%0.73955%0.546SS*.PPolyproline II helixtrans-83120.9-170.9-176.60000112.5Y305V256-Y305 HydrophobicContact CG1-CE1 4.4Å
257A72.4Confident71.1Confident27 Ų2798 Ų9822%0.22355%0.546CS..PPolyproline II helixtrans-73.9138.8168.200000111.3Y305A257-Y305 HydrophobicContact CB-CD1 3.69Å; A257-Y305 HydrophobicContact CB-CD2 4.08Å; A257-Y305 HydrophobicContact CB-CE1 4.45Å; A257-Y305 HydrophobicContact CB-CG 3.47Å; A257-Y305 VanDerWaalsContact CB-CG 3.47Å
258K75.9Confident71.3Confident190 Ų19091 Ų9183%0.82651%0.513SS*.PPolyproline II helixtrans-78.7137.3179.5-70.4-177.8179.7176.90111.6V260 W302K258-V260 PolarHBondContact O-N 2.94Å; K258-W302 VanDerWaalsContact C-CD1 3.5Å
259K81.3Confident71.7Confident160 Ų16089.2 Ų89.270%0.69651%0.508SS*.PPolyproline II helixtrans-66.2125.3176.3-171.9176.3-178.4179.10110.9W302K259-W302 VanDerWaalsContact CA-CD1 3.4Å; K259-W302 HydrophobicContact CB-CD2 4.27Å; K259-W302 HydrophobicContact CB-CG 4.28Å; K259-W302 HydrophobicContact CD-CH2 4.48Å; K259-W302 HydrophobicContact CD-CZ2 4.15Å; K259-W302 HydrophobicContact CG-CD2 4.06Å; K259-W302 HydrophobicContact CG-CE3 4.47Å; K259-W302 HydrophobicContact CG-CG 4.49Å; K259-W302 HydrophobicContact CG-CZ2 4.15Å
260V82.6Confident72.9Confident55 Ų5585.5 Ų85.533%0.33349%0.485SS..PPolyproline II helixtrans-99.3140.1178.9-164.20000109.3K258 H262 P269K258-V260 PolarHBondContact O-N 2.94Å; V260-H262 PolarHBondContact O-CE1 2.87Å; V260-H262 VanDerWaalsContact O-CE1 3.24Å; V260-H262 PolarHBondContact O-ND1 3.31Å; V260-P269 HydrophobicContact CG1-CB 4.32Å
261P82.6Confident74.3Confident78 Ų7882.2 Ų82.251%0.50647%0.465SS..PPolyproline II helixtrans-63.1150.317126.2-34.5000110.8G270P261-G270 CarbonylContact O-C 3.49Å; P261-G270 PolarHBondContact O-N 3.37Å
262H86.4Confident75.6Confident46 Ų4678.1 Ų78.121%0.21345%0.448CS..BIsolated β-bridgetrans-123.1149.7175.9-65.773.9000109.8V260 R267 H268 G270 C298 C300 H303V260-H262 PolarHBondContact O-CE1 2.87Å; V260-H262 VanDerWaalsContact O-CE1 3.24Å; V260-H262 PolarHBondContact O-ND1 3.31Å; H262-R267 PolarHBondContact CD2-O 3.38Å; H262-R267 VanDerWaalsContact CD2-O 3.29Å; H262-H268 CarbonylContact C-O 3.4Å; H262-H268 VanDerWaalsContact CA-O 3.26Å; H262-H268 WeakPolarHBondContact CA-O 3.34Å; H262-G270 CarbonylContact C-O 3.57Å; H262-G270 WeakPolarHBondContact CA-O 3.36Å; H262-C298 VanDerWaalsContact CD2-SG 3.59Å; H262-C298 PolarHBondContact NE2-SG 3.06Å; H262-C300 PolarHBondContact NE2-SG 3.29Å; H262-C300 VanDerWaalsContact NE2-SG 3.43Å; H262-H303 AromaticContact CD2-CE1 3.96Å; H262-H303 AromaticContact CE1-CE1 3.34Å; H262-H303 PolarHBondContact CE1-CE1 2.96Å; H262-H303 AromaticContact CE1-ND1 3.7Å; H262-H303 AromaticContact NE2-CE1 3.21Å; H262-H303 PolarHBondContact NE2-CE1 3.13Å; H262-H303 AromaticContact NE2-ND1 3.32Å; H262-H303 PolarHBondContact NE2-ND1 3.16Å
263C83.9Confident77.2Confident5 Ų579 Ų793%0.03444%0.442CS..  trans-73137.2178.3177.80000110.5L265 C266 R267 H268 G270 H275C263-L265 PolarHBondContact O-N 3.32Å; C263-C266 VanDerWaalsContact CB-SG 3.51Å; C263-C266 VanDerWaalsContact SG-SG 3.68Å; C263-R267 WeakPolarHBondContact O-CA 3.19Å; C263-R267 PolarHBondContact O-N 3.12Å; C263-H268 PolarHBondContact N-O 3.47Å; C263-G270 PolarHBondContact N-O 3.07Å; C263-H275 VanDerWaalsContact CB-CE1 3.49Å; C263-H275 WeakPolarHBondContact CB-CE1 3.36Å; C263-H275 WeakPolarHBondContact CB-ND1 3.26Å
264N82.3Confident78.6Confident149 Ų14975.1 Ų75.180%0.79742%0.42SS*.THydrogen-bonded Turntrans-71.6-15.6-177.1-64.5-15.6000113.4
265L81.1Confident80Confident104 Ų10470 Ų7055%0.54539%0.388SS..THydrogen-bonded Turntrans-92.7-61.6178.6-75.3155.4000111.6C263 C289C263-L265 PolarHBondContact O-N 3.32Å; L265-C289 HydrophobicContact CB-CB 4.17Å
266C82.8Confident81Confident0 Ų072.9 Ų72.90%039%0.385CS..THydrogen-bonded Turntrans-92.7-5.3-176.957.70000115.2C263 H268 H275 C283 C289 Q290 Q292C263-C266 VanDerWaalsContact CB-SG 3.51Å; C263-C266 VanDerWaalsContact SG-SG 3.68Å; C266-H268 PolarHBondContact O-N 2.95Å; C266-H275 PolarHBondContact SG-ND1 2.75Å; C266-H275 VanDerWaalsContact SG-ND1 3.37Å; C266-C283 WeakPolarHBondContact CB-SG 3.34Å; C266-C289 HydrophobicContact CB-CB 3.8Å; C266-Q290 WeakPolarHBondContact CA-O 3.42Å; C266-Q290 WeakPolarHBondContact CB-O 3.33Å; C266-Q292 PolarHBondContact O-OE1 2.91Å
267R79.7Confident81.8Confident131 Ų13176.9 Ų76.949%0.49439%0.387SS..  trans56.218.5-177.7-54.3-177.1176.2-176.20.2114.7H262 C263H262-R267 PolarHBondContact CD2-O 3.38Å; H262-R267 VanDerWaalsContact CD2-O 3.29Å; C263-R267 WeakPolarHBondContact O-CA 3.19Å; C263-R267 PolarHBondContact O-N 3.12Å
268H84.3Confident82Confident2 Ų278.8 Ų78.81%0.00941%0.409CS..  trans-85.6155.3174.5-69.3154.9000112.3H262 C263 C266 G270 C280 L282 C283 Q292 Y296H262-H268 CarbonylContact C-O 3.4Å; H262-H268 VanDerWaalsContact CA-O 3.26Å; H262-H268 WeakPolarHBondContact CA-O 3.34Å; C263-H268 PolarHBondContact N-O 3.47Å; C266-H268 PolarHBondContact O-N 2.95Å; H268-G270 PolarHBondContact O-N 2.91Å; H268-C280 PolarHBondContact ND1-SG 3.02Å; H268-L282 HydrophobicContact CB-CB 4.42Å; H268-L282 HydrophobicContact CB-CD1 3.96Å; H268-L282 VanDerWaalsContact CE1-C 3.49Å; H268-L282 WeakPolarHBondContact CE1-CB 3.43Å; H268-L282 VanDerWaalsContact ND1-CB 3.28Å; H268-L282 WeakPolarHBondContact ND1-CB 3.19Å; H268-C283 PolarHBondContact CE1-SG 3.07Å; H268-C283 PolarHBondContact ND1-SG 3.49Å; H268-Q292 PolarHBondContact CE1-NE2 3Å; H268-Q292 PolarHBondContact NE2-NE2 3.4Å; H268-Y296 AromaticContact CD2-CE1 3.45Å; H268-Y296 VanDerWaalsContact CD2-CE1 3.45Å; H268-Y296 WeakPolarHBondContact CD2-CE1 3.09Å; H268-Y296 AromaticContact CD2-CZ 3.33Å; H268-Y296 PolarHBondContact CD2-OH 3.1Å; H268-Y296 AromaticContact NE2-CE1 3.66Å; H268-Y296 AromaticContact NE2-CE2 3.71Å; H268-Y296 AromaticContact NE2-CZ 3.17Å; H268-Y296 PolarHBondContact NE2-OH 3.28Å
269P84.6Confident82.2Confident41 Ų4170.3 Ų70.327%0.26638%0.376SS..BIsolated β-bridgetrans-57.7137176.8-24.436.5000112.2V260 H275 C300V260-P269 HydrophobicContact CG1-CB 4.32Å; P269-H275 PolarHBondContact O-NE2 3.03Å; P269-C300 HydrophobicContact CB-CB 4.35Å; P269-C300 HydrophobicContact CG-CB 3.45Å; P269-C300 VanDerWaalsContact CG-CB 3.45Å
270G82.1Confident82.3Confident19 Ų1963 Ų6320%0.19634%0.344CS..SBendtrans117.7149.6-173.500000112.1P261 H262 C263 H268P261-G270 CarbonylContact O-C 3.49Å; P261-G270 PolarHBondContact O-N 3.37Å; H262-G270 CarbonylContact C-O 3.57Å; H262-G270 WeakPolarHBondContact CA-O 3.36Å; C263-G270 PolarHBondContact N-O 3.07Å; H268-G270 PolarHBondContact O-N 2.91Å
271S84Confident82.3Confident51 Ų5167.2 Ų67.236%0.35737%0.37SS..  trans-74.7155.3175.966.70000111.3K273 A274 H275S271-K273 VanDerWaalsContact C-N 3.25Å; S271-K273 PolarHBondContact O-N 3.15Å; S271-A274 WeakPolarHBondContact O-CA 3.47Å; S271-A274 WeakPolarHBondContact O-CB 3.32Å; S271-A274 PolarHBondContact O-N 3.03Å; S271-A274 PolarHBondContact OG-N 3.45Å; S271-H275 PolarHBondContact O-N 2.88Å; S271-H275 VanDerWaalsContact O-N 3.13Å
272A81.6Confident82.2Confident34 Ų3467.8 Ų67.828%0.28137%0.369SS..Hα-helixtrans-52.6-43.3176.600000112.3A274 H275 E276A272-A274 VanDerWaalsContact C-N 3.28Å; A272-A274 PolarHBondContact O-N 3.14Å; A272-H275 PolarHBondContact O-N 2.86Å; A272-H275 VanDerWaalsContact O-N 3.16Å; A272-E276 WeakPolarHBondContact O-CG 3.44Å; A272-E276 PolarHBondContact O-N 3.41Å
273K81.3Confident81.8Confident142 Ų14267.6 Ų67.662%0.61737%0.372SS*.Hα-helixtrans-64.3-26.1175.6-71.7-172178.1-177.20114.6S271 R277S271-K273 VanDerWaalsContact C-N 3.25Å; S271-K273 PolarHBondContact O-N 3.15Å; K273-R277 WeakPolarHBondContact O-CG 3.13Å; K273-R277 PolarHBondContact O-NE 3.33Å
274A82.3Confident81.5Confident41 Ų4170.4 Ų70.434%0.33940%0.402SS..Hα-helixtrans-74.8-41.8174.600000110.1S271 A272 R277 G278S271-A274 WeakPolarHBondContact O-CA 3.47Å; S271-A274 WeakPolarHBondContact O-CB 3.32Å; S271-A274 PolarHBondContact O-N 3.03Å; S271-A274 PolarHBondContact OG-N 3.45Å; A272-A274 VanDerWaalsContact C-N 3.28Å; A272-A274 PolarHBondContact O-N 3.14Å; A274-R277 PolarHBondContact O-N 3.04Å; A274-G278 PolarHBondContact O-N 2.84Å
275H85.1Confident81.4Confident13 Ų1364.4 Ų64.46%0.0637%0.372CS..Hα-helixtrans-70.7-33178.4-72.5-164.9000113C263 C266 P269 S271 A272 R277 G279 C280 C289C263-H275 VanDerWaalsContact CB-CE1 3.49Å; C263-H275 WeakPolarHBondContact CB-CE1 3.36Å; C263-H275 WeakPolarHBondContact CB-ND1 3.26Å; C266-H275 PolarHBondContact SG-ND1 2.75Å; C266-H275 VanDerWaalsContact SG-ND1 3.37Å; P269-H275 PolarHBondContact O-NE2 3.03Å; S271-H275 PolarHBondContact O-N 2.88Å; S271-H275 VanDerWaalsContact O-N 3.13Å; A272-H275 PolarHBondContact O-N 2.86Å; A272-H275 VanDerWaalsContact O-N 3.16Å; H275-R277 VanDerWaalsContact C-N 3.31Å; H275-R277 PolarHBondContact O-N 2.98Å; H275-G279 VanDerWaalsContact O-CA 3.22Å; H275-G279 WeakPolarHBondContact O-CA 3.33Å; H275-G279 PolarHBondContact O-N 2.79Å; H275-C280 VanDerWaalsContact CE1-SG 3.58Å; H275-C289 PolarHBondContact ND1-SG 3.26Å; H275-C289 VanDerWaalsContact ND1-SG 3.4Å
276E79.6Confident81.1Confident120 Ų12070.2 Ų70.256%0.56139%0.386SS*.Hα-helixtrans-63-35172.3-77.2168.8-171.500112.9A272A272-E276 WeakPolarHBondContact O-CG 3.44Å; A272-E276 PolarHBondContact O-N 3.41Å
277R81.3Confident80.3Confident207 Ų20779 Ų7978%0.78142%0.42SS*.Hα-helixtrans-91.2-38.2-174.8-73-174.1-71.5173.40.8113.8K273 A274 H275K273-R277 WeakPolarHBondContact O-CG 3.13Å; K273-R277 PolarHBondContact O-NE 3.33Å; A274-R277 PolarHBondContact O-N 3.04Å; H275-R277 VanDerWaalsContact C-N 3.31Å; H275-R277 PolarHBondContact O-N 2.98Å
278G78.1Confident80Confident66 Ų6681 Ų8168%0.6843%0.432SS*.Hα-helixtrans-117.7-2-172.500000115A274A274-G278 PolarHBondContact O-N 2.84Å
279G80.3Confident79.8Confident12 Ų1281.6 Ų81.612%0.12444%0.437CS..  trans75-177.9-172.100000113.4H275 S285H275-G279 VanDerWaalsContact O-CA 3.22Å; H275-G279 WeakPolarHBondContact O-CA 3.33Å; H275-G279 PolarHBondContact O-N 2.79Å; G279-S285 CarbonylContact C-O 3.59Å; G279-S285 WeakPolarHBondContact CA-O 3.45Å
280C82.7Confident79.4Confident6 Ų686.9 Ų86.94%0.04146%0.458CS..BIsolated β-bridgetrans-123.8119.7178.4-179.60000110.6H268 H275 L282 C283 G284 S285 C289H268-C280 PolarHBondContact ND1-SG 3.02Å; H275-C280 VanDerWaalsContact CE1-SG 3.58Å; C280-L282 VanDerWaalsContact C-N 3.32Å; C280-L282 PolarHBondContact O-N 3.43Å; C280-C283 HydrophobicContact CB-CB 3.94Å; C280-C283 PolarHBondContact O-N 2.91Å; C280-C283 VanDerWaalsContact SG-SG 3.68Å; C280-G284 PolarHBondContact O-N 2.91Å; C280-S285 PolarHBondContact N-O 3.12Å; C280-S285 PolarHBondContact N-OG 2.89Å; C280-S285 PolarHBondContact O-N 3.5Å; C280-S285 VanDerWaalsContact O-N 3.09Å; C280-C289 WeakPolarHBondContact CB-SG 3.33Å
281V82.6Confident79.3Confident145 Ų14591 Ų9188%0.87948%0.481SS*.G310 helixtrans-59.7-42.5-179.8-178.40000111.6C283 G284V281-C283 VanDerWaalsContact C-N 3.32Å; V281-C283 PolarHBondContact O-N 3.01Å; V281-G284 PolarHBondContact O-N 3.48Å
282L80.6Confident78.8Confident89 Ų8991.2 Ų91.247%0.46648%0.477SS..G310 helixtrans-72.9-22.8-178.9-66.3174.7000113.2H268 C280 P299H268-L282 HydrophobicContact CB-CB 4.42Å; H268-L282 HydrophobicContact CB-CD1 3.96Å; H268-L282 VanDerWaalsContact CE1-C 3.49Å; H268-L282 WeakPolarHBondContact CE1-CB 3.43Å; H268-L282 VanDerWaalsContact ND1-CB 3.28Å; H268-L282 WeakPolarHBondContact ND1-CB 3.19Å; C280-L282 VanDerWaalsContact C-N 3.32Å; C280-L282 PolarHBondContact O-N 3.43Å; L282-P299 HydrophobicContact CD1-CG 4.42Å
283C78.5Confident78.2Confident42 Ų4296.1 Ų96.128%0.28450%0.498SS..G310 helixtrans-89.8-13.7171-63.30000112.9C266 H268 C280 V281 S285C266-C283 WeakPolarHBondContact CB-SG 3.34Å; H268-C283 PolarHBondContact CE1-SG 3.07Å; H268-C283 PolarHBondContact ND1-SG 3.49Å; C280-C283 HydrophobicContact CB-CB 3.94Å; C280-C283 PolarHBondContact O-N 2.91Å; C280-C283 VanDerWaalsContact SG-SG 3.68Å; V281-C283 VanDerWaalsContact C-N 3.32Å; V281-C283 PolarHBondContact O-N 3.01Å; C283-S285 PolarHBondContact O-N 3.22Å
284G77.4Confident77.5Confident65 Ų6598.1 Ų98.167%0.6751%0.507SS*.THydrogen-bonded Turntrans61.714.6-162.300000114.1C280 V281C280-G284 PolarHBondContact O-N 2.91Å; V281-G284 PolarHBondContact O-N 3.48Å
285S80.3Confident77Confident23 Ų23103.3 Ų103.316%0.16153%0.529CS..BIsolated β-bridgetrans-85.3144-175.286.50000111.2G279 C280 C283 F288G279-S285 CarbonylContact C-O 3.59Å; G279-S285 WeakPolarHBondContact CA-O 3.45Å; C280-S285 PolarHBondContact N-O 3.12Å; C280-S285 PolarHBondContact N-OG 2.89Å; C280-S285 PolarHBondContact O-N 3.5Å; C280-S285 VanDerWaalsContact O-N 3.09Å; C283-S285 PolarHBondContact O-N 3.22Å; S285-F288 WeakPolarHBondContact CB-O 3.3Å; S285-F288 PolarHBondContact OG-O 3.45Å
286R73.4Confident76.6Confident225 Ų225106.1 Ų106.185%0.84954%0.539SS*.SBendtrans-100.4-15.6-179.2-63.7-172.8-176.1-172.21.5114.6
287R67.3Low76.4Confident185 Ų185110.1 Ų110.170%0.69855%0.55SS*.SBendtrans-149.6-40.4-178.3-67.5-169.8-178.1-174.50.4114.3
288F72.5Confident76.3Confident172 Ų172101.1 Ų101.175%0.75452%0.518SS*.  trans-126.2128-178-60.4-74.7000110.9S285S285-F288 WeakPolarHBondContact CB-O 3.3Å; S285-F288 PolarHBondContact OG-O 3.45Å
289C80.1Confident76.4Confident16 Ų16101.5 Ų101.511%0.10851%0.508CS..PPolyproline II helixtrans-80.5144177.4-68.50000110.9L265 C266 H275 C280L265-C289 HydrophobicContact CB-CB 4.17Å; C266-C289 HydrophobicContact CB-CB 3.8Å; H275-C289 PolarHBondContact ND1-SG 3.26Å; H275-C289 VanDerWaalsContact ND1-SG 3.4Å; C280-C289 WeakPolarHBondContact CB-SG 3.33Å
290Q76.9Confident76.5Confident151 Ų151101.5 Ų101.571%0.70651%0.507SS*.PPolyproline II helixtrans-92.6151.4171.6-68.8-172.5-11.500110.4C266C266-Q290 WeakPolarHBondContact CA-O 3.42Å; C266-Q290 WeakPolarHBondContact CB-O 3.33Å
291P79.1Confident76.4Confident105 Ų105107.9 Ų107.968%0.68254%0.54SS*.PPolyproline II helixtrans-60.6141172-17.630.3000111.1
292Q72.9Confident76.5Confident57 Ų57103.4 Ų103.427%0.26651%0.507SS..PPolyproline II helixtrans-90.1154.7169.7-111.580.41500111C266 H268 Y296C266-Q292 PolarHBondContact O-OE1 2.91Å; H268-Q292 PolarHBondContact CE1-NE2 3Å; H268-Q292 PolarHBondContact NE2-NE2 3.4Å; Q292-Y296 HydrophobicContact CB-CD1 4.46Å; Q292-Y296 HydrophobicContact CB-CG 4.14Å; Q292-Y296 HydrophobicContact CG-CD1 4.1Å; Q292-Y296 HydrophobicContact CG-CD2 3.83Å; Q292-Y296 HydrophobicContact CG-CE2 4.45Å; Q292-Y296 HydrophobicContact CG-CG 3.64Å
293D70.9Confident76.4Confident137 Ų137101.8 Ų101.873%0.73350%0.498SS*.PPolyproline II helixtrans-57.8153.8168.2-72.6-40.2000112D295 Y296D293-D295 PolarHBondContact O-N 3.25Å; D293-D295 VanDerWaalsContact O-N 3.13Å; D293-Y296 WeakPolarHBondContact O-CB 3.4Å; D293-Y296 PolarHBondContact O-N 3.01Å
294F65.1Low76.4Confident183 Ų183102.4 Ų102.480%0.80350%0.502SS*.THydrogen-bonded Turntrans-59.4-26-177.3-75-84.1000113.6Y296F294-Y296 VanDerWaalsContact C-N 3.33Å; F294-Y296 PolarHBondContact O-N 3.47Å
295D71.6Confident76.4Confident150 Ų150101.6 Ų101.680%0.80248%0.479SS*.THydrogen-bonded Turntrans-872.8-176.9-62.9-29.6000114.3D293 R297D293-D295 PolarHBondContact O-N 3.25Å; D293-D295 VanDerWaalsContact O-N 3.13Å; D295-R297 PolarHBondContact O-N 3.4Å
296Y77.6Confident76.4Confident72 Ų72101.8 Ų101.828%0.28248%0.477SS..PPolyproline II helixtrans-64.5122.5-177.6179.3-103000113H268 Q292 D293 F294 C298 P299H268-Y296 AromaticContact CD2-CE1 3.45Å; H268-Y296 VanDerWaalsContact CD2-CE1 3.45Å; H268-Y296 WeakPolarHBondContact CD2-CE1 3.09Å; H268-Y296 AromaticContact CD2-CZ 3.33Å; H268-Y296 PolarHBondContact CD2-OH 3.1Å; H268-Y296 AromaticContact NE2-CE1 3.66Å; H268-Y296 AromaticContact NE2-CE2 3.71Å; H268-Y296 AromaticContact NE2-CZ 3.17Å; H268-Y296 PolarHBondContact NE2-OH 3.28Å; Q292-Y296 HydrophobicContact CB-CD1 4.46Å; Q292-Y296 HydrophobicContact CB-CG 4.14Å; Q292-Y296 HydrophobicContact CG-CD1 4.1Å; Q292-Y296 HydrophobicContact CG-CD2 3.83Å; Q292-Y296 HydrophobicContact CG-CE2 4.45Å; Q292-Y296 HydrophobicContact CG-CG 3.64Å; D293-Y296 WeakPolarHBondContact O-CB 3.4Å; D293-Y296 PolarHBondContact O-N 3.01Å; F294-Y296 VanDerWaalsContact C-N 3.33Å; F294-Y296 PolarHBondContact O-N 3.47Å; Y296-C298 HydrophobicContact CE1-CB 4.12Å; Y296-P299 WeakPolarHBondContact OH-CD 3.33Å
297R75.1Confident76.4Confident205 Ų20595.9 Ų95.977%0.77446%0.459SS*.PPolyproline II helixtrans-100.8117173.4-63.9-172.2-176.4-167.72.4110.5D295D295-R297 PolarHBondContact O-N 3.4Å
298C80Confident76.8Confident17 Ų1789.8 Ų89.812%0.11545%0.445CS..PPolyproline II helixtrans-68.1126.3-179.3-179.20000111.7H262 Y296 C300 H303H262-C298 VanDerWaalsContact CD2-SG 3.59Å; H262-C298 PolarHBondContact NE2-SG 3.06Å; Y296-C298 HydrophobicContact CE1-CB 4.12Å; C298-C300 VanDerWaalsContact C-N 3.26Å; C298-C300 PolarHBondContact O-N 2.86Å; C298-C300 VanDerWaalsContact SG-SG 3.69Å; C298-H303 WeakPolarHBondContact CB-ND1 3.46Å
299P78.8Confident77.1Confident74 Ų7487.7 Ų87.748%0.48143%0.432SS..  trans-86.318.2-175.336-38.4000113.8L282 Y296L282-P299 HydrophobicContact CD1-CG 4.42Å; Y296-P299 WeakPolarHBondContact OH-CD 3.33Å
300C83.3Confident76.9Confident13 Ų1392.4 Ų92.49%0.08845%0.452CS..  trans-78150.2-174.677.70000112.7H262 P269 C298 W302 H303 C304H262-C300 PolarHBondContact NE2-SG 3.29Å; H262-C300 VanDerWaalsContact NE2-SG 3.43Å; P269-C300 HydrophobicContact CB-CB 4.35Å; P269-C300 HydrophobicContact CG-CB 3.45Å; P269-C300 VanDerWaalsContact CG-CB 3.45Å; C298-C300 VanDerWaalsContact C-N 3.26Å; C298-C300 PolarHBondContact O-N 2.86Å; C298-C300 VanDerWaalsContact SG-SG 3.69Å; C300-W302 PolarHBondContact O-N 3.41Å; C300-H303 PolarHBondContact O-N 2.6Å; C300-H303 PolarHBondContact SG-ND1 3.12Å; C300-C304 PolarHBondContact O-N 3.43Å
301D81.2Confident76.8Confident139 Ų13986.2 Ų86.274%0.74343%0.427SS*.Hα-helixtrans-52.1-35.6-178-60.4-23.2000112.9Y305D301-Y305 WeakPolarHBondContact O-CB 3.48Å; D301-Y305 PolarHBondContact O-N 3.28Å
302W83.1Confident76.8Confident51 Ų5184.3 Ų84.319%0.19342%0.416CS..Hα-helixtrans-67.7-43.5176.4-175.376.8000113.1K258 K259 C300 Y305 E306K258-W302 VanDerWaalsContact C-CD1 3.5Å; K259-W302 VanDerWaalsContact CA-CD1 3.4Å; K259-W302 HydrophobicContact CB-CD2 4.27Å; K259-W302 HydrophobicContact CB-CG 4.28Å; K259-W302 HydrophobicContact CD-CH2 4.48Å; K259-W302 HydrophobicContact CD-CZ2 4.15Å; K259-W302 HydrophobicContact CG-CD2 4.06Å; K259-W302 HydrophobicContact CG-CE3 4.47Å; K259-W302 HydrophobicContact CG-CG 4.49Å; K259-W302 HydrophobicContact CG-CZ2 4.15Å; C300-W302 PolarHBondContact O-N 3.41Å; W302-Y305 PolarHBondContact O-N 3.03Å; W302-E306 HydrophobicContact CH2-CG 4.26Å; W302-E306 HydrophobicContact CZ2-CB 4.49Å; W302-E306 HydrophobicContact CZ2-CG 4.32Å; W302-E306 WeakPolarHBondContact O-CB 3.44Å; W302-E306 PolarHBondContact O-N 2.89Å
303H79.6Confident77.3Confident56 Ų5685.2 Ų85.226%0.25943%0.429SS..Hα-helixtrans-70.4-38.8177.8-78.7123.4000111.5H262 C298 C300 E306 Q307H262-H303 AromaticContact CD2-CE1 3.96Å; H262-H303 AromaticContact CE1-CE1 3.34Å; H262-H303 PolarHBondContact CE1-CE1 2.96Å; H262-H303 AromaticContact CE1-ND1 3.7Å; H262-H303 AromaticContact NE2-CE1 3.21Å; H262-H303 PolarHBondContact NE2-CE1 3.13Å; H262-H303 AromaticContact NE2-ND1 3.32Å; H262-H303 PolarHBondContact NE2-ND1 3.16Å; C298-H303 WeakPolarHBondContact CB-ND1 3.46Å; C300-H303 PolarHBondContact O-N 2.6Å; C300-H303 PolarHBondContact SG-ND1 3.12Å; H303-E306 PolarHBondContact O-N 3.24Å; H303-Q307 WeakPolarHBondContact O-CB 3.47Å; H303-Q307 VanDerWaalsContact O-CG 3.26Å; H303-Q307 WeakPolarHBondContact O-CG 3.39Å; H303-Q307 PolarHBondContact O-N 2.91Å
304C77.8Confident77.9Confident55 Ų5580.3 Ų80.337%0.37240%0.403SS..Hα-helixtrans-63.4-42.4173.2-65.30000111.6C300 S308C300-C304 PolarHBondContact O-N 3.43Å; C304-S308 WeakPolarHBondContact O-CB 3.43Å; C304-S308 PolarHBondContact O-N 3.47Å; C304-S308 PolarHBondContact O-OG 3.31Å
305Y78.8Confident78.9Confident48 Ų4873 Ų7319%0.18837%0.371CS..Hα-helixtrans-63.8-47.1173.6171.1-98.2000111.9G255 V256 A257 D301 W302 Q307 S308 R309G255-Y305 WeakPolarHBondContact O-CE2 3.24Å; V256-Y305 HydrophobicContact CG1-CE1 4.4Å; A257-Y305 HydrophobicContact CB-CD1 3.69Å; A257-Y305 HydrophobicContact CB-CD2 4.08Å; A257-Y305 HydrophobicContact CB-CE1 4.45Å; A257-Y305 HydrophobicContact CB-CG 3.47Å; A257-Y305 VanDerWaalsContact CB-CG 3.47Å; D301-Y305 WeakPolarHBondContact O-CB 3.48Å; D301-Y305 PolarHBondContact O-N 3.28Å; W302-Y305 PolarHBondContact O-N 3.03Å; Y305-Q307 PolarHBondContact O-N 3.48Å; Y305-S308 CarbonylContact O-C 3.55Å; Y305-S308 PolarHBondContact O-N 2.94Å; Y305-R309 HydrophobicContact CE1-CB 4.5Å; Y305-R309 VanDerWaalsContact O-CB 3.29Å; Y305-R309 WeakPolarHBondContact O-CB 3.35Å; Y305-R309 PolarHBondContact O-N 2.8Å
306E78.6Confident79.5Confident27 Ų2768 Ų6813%0.12635%0.35CS..Hα-helixtrans-65.2-40.3-178.6-174.958.4-144.400111.4W302 H303 R309 Q310W302-E306 HydrophobicContact CH2-CG 4.26Å; W302-E306 HydrophobicContact CZ2-CB 4.49Å; W302-E306 HydrophobicContact CZ2-CG 4.32Å; W302-E306 WeakPolarHBondContact O-CB 3.44Å; W302-E306 PolarHBondContact O-N 2.89Å; H303-E306 PolarHBondContact O-N 3.24Å; E306-R309 VanDerWaalsContact CD-NH2 3.32Å; E306-R309 PolarHBondContact O-N 3.16Å; E306-R309 IonicContact OE1-CZ 3.31Å; E306-R309 IonicContact OE1-NE 3.16Å; E306-R309 PolarHBondContact OE1-NE 3.09Å; E306-R309 IonicContact OE1-NH2 3.16Å; E306-R309 PolarHBondContact OE1-NH2 3.17Å; E306-R309 IonicContact OE2-CZ 2.7Å; E306-R309 VanDerWaalsContact OE2-CZ 3.31Å; E306-R309 IonicContact OE2-NE 3.82Å; E306-R309 PolarHBondContact OE2-NE 3.27Å; E306-R309 VanDerWaalsContact OE2-NE 3.16Å; E306-R309 IonicContact OE2-NH2 2.78Å; E306-R309 PolarHBondContact OE2-NH2 3.01Å; E306-R309 VanDerWaalsContact OE2-NH2 3.16Å; E306-Q310 WeakPolarHBondContact O-CB 3.4Å; E306-Q310 VanDerWaalsContact O-CG 3.23Å; E306-Q310 WeakPolarHBondContact O-CG 3.36Å; E306-Q310 PolarHBondContact O-N 3.45Å; E306-Q310 PolarHBondContact OE1-NE2 3.29Å; E306-Q310 VanDerWaalsContact OE1-NE2 3.12Å
307Q74.6Confident79.9Confident100 Ų10068 Ų6847%0.46736%0.355SS..Hα-helixtrans-61.3-45.5171.7-76.2173.8500111.6H303 Y305 Q310 A311H303-Q307 WeakPolarHBondContact O-CB 3.47Å; H303-Q307 VanDerWaalsContact O-CG 3.26Å; H303-Q307 WeakPolarHBondContact O-CG 3.39Å; H303-Q307 PolarHBondContact O-N 2.91Å; Y305-Q307 PolarHBondContact O-N 3.48Å; Q307-Q310 PolarHBondContact O-N 3.24Å; Q307-A311 WeakPolarHBondContact O-CB 3.5Å; Q307-A311 PolarHBondContact O-N 2.92Å
308S75.6Confident80.5Confident57 Ų5758.3 Ų58.340%0.39932%0.318SS..Hα-helixtrans-64.4-40.3177.5-570000111.6C304 Y305 A311 S312C304-S308 WeakPolarHBondContact O-CB 3.43Å; C304-S308 PolarHBondContact O-N 3.47Å; C304-S308 PolarHBondContact O-OG 3.31Å; Y305-S308 CarbonylContact O-C 3.55Å; Y305-S308 PolarHBondContact O-N 2.94Å; S308-A311 WeakPolarHBondContact O-CB 3.49Å; S308-A311 PolarHBondContact O-N 3.05Å; S308-S312 PolarHBondContact O-N 3.05Å; S308-S312 PolarHBondContact O-OG 3.29Å; S308-S312 VanDerWaalsContact O-OG 3.1Å
309R78.2Confident80.9Confident129 Ų12958.7 Ų58.749%0.48732%0.317SS..Hα-helixtrans-65.2-41.8176.4-170.5-172.274.8139.93.2111.8Y305 E306 S312 S313Y305-R309 HydrophobicContact CE1-CB 4.5Å; Y305-R309 VanDerWaalsContact O-CB 3.29Å; Y305-R309 WeakPolarHBondContact O-CB 3.35Å; Y305-R309 PolarHBondContact O-N 2.8Å; E306-R309 VanDerWaalsContact CD-NH2 3.32Å; E306-R309 PolarHBondContact O-N 3.16Å; E306-R309 IonicContact OE1-CZ 3.31Å; E306-R309 IonicContact OE1-NE 3.16Å; E306-R309 PolarHBondContact OE1-NE 3.09Å; E306-R309 IonicContact OE1-NH2 3.16Å; E306-R309 PolarHBondContact OE1-NH2 3.17Å; E306-R309 IonicContact OE2-CZ 2.7Å; E306-R309 VanDerWaalsContact OE2-CZ 3.31Å; E306-R309 IonicContact OE2-NE 3.82Å; E306-R309 PolarHBondContact OE2-NE 3.27Å; E306-R309 VanDerWaalsContact OE2-NE 3.16Å; E306-R309 IonicContact OE2-NH2 2.78Å; E306-R309 PolarHBondContact OE2-NH2 3.01Å; E306-R309 VanDerWaalsContact OE2-NH2 3.16Å; R309-S312 PolarHBondContact O-N 3.12Å; R309-S313 WeakPolarHBondContact O-CB 3.4Å; R309-S313 PolarHBondContact O-N 3.03Å
310Q75.9Confident81.3Confident114 Ų11463 Ų6353%0.53333%0.328SS..Hα-helixtrans-65-42.4175.5-75.1174.31100111.3E306 Q307 S313 L314E306-Q310 WeakPolarHBondContact O-CB 3.4Å; E306-Q310 VanDerWaalsContact O-CG 3.23Å; E306-Q310 WeakPolarHBondContact O-CG 3.36Å; E306-Q310 PolarHBondContact O-N 3.45Å; E306-Q310 PolarHBondContact OE1-NE2 3.29Å; E306-Q310 VanDerWaalsContact OE1-NE2 3.12Å; Q307-Q310 PolarHBondContact O-N 3.24Å; Q310-S313 PolarHBondContact O-N 2.61Å; Q310-L314 WeakPolarHBondContact O-CB 3.4Å; Q310-L314 PolarHBondContact O-N 2.87Å
311A74.6Confident81.5Confident21 Ų2165.1 Ų65.117%0.17434%0.336CS..Hα-helixtrans-57-53.6172.100000111.9T232 Q307 S308 S313 L314 E315T232-A311 HydrophobicContact CG2-CB 3.37Å; Q307-A311 WeakPolarHBondContact O-CB 3.5Å; Q307-A311 PolarHBondContact O-N 2.92Å; S308-A311 WeakPolarHBondContact O-CB 3.49Å; S308-A311 PolarHBondContact O-N 3.05Å; A311-S313 VanDerWaalsContact C-N 3.32Å; A311-S313 PolarHBondContact O-N 3.27Å; A311-L314 PolarHBondContact O-N 3.3Å; A311-E315 WeakPolarHBondContact O-CB 3.47Å; A311-E315 PolarHBondContact O-N 3.3Å
312S80Confident81.8Confident65 Ų6558.5 Ų58.546%0.45530%0.301SS..Hα-helixtrans-63.3-36177.3-60.40000112.5S308 R309 E315 A316S308-S312 PolarHBondContact O-N 3.05Å; S308-S312 PolarHBondContact O-OG 3.29Å; S308-S312 VanDerWaalsContact O-OG 3.1Å; R309-S312 PolarHBondContact O-N 3.12Å; S312-E315 PolarHBondContact O-N 2.66Å; S312-A316 VanDerWaalsContact O-CB 3.24Å; S312-A316 WeakPolarHBondContact O-CB 3.41Å; S312-A316 PolarHBondContact O-N 3.29Å
313S82.3Confident82Confident76 Ų7659.6 Ų59.653%0.53131%0.31SS..Hα-helixtrans-68.7-39.9177-179.60000112.2R309 Q310 A311 N317R309-S313 WeakPolarHBondContact O-CB 3.4Å; R309-S313 PolarHBondContact O-N 3.03Å; Q310-S313 PolarHBondContact O-N 2.61Å; A311-S313 VanDerWaalsContact C-N 3.32Å; A311-S313 PolarHBondContact O-N 3.27Å; S313-N317 WeakPolarHBondContact O-CB 3.4Å; S313-N317 PolarHBondContact O-N 3.19Å
314L84.6Confident82.3Confident35 Ų3560.8 Ų60.818%0.18333%0.329CS..Hα-helixtrans-61.8-49.6173.1177.166.7000110.1Q225 R228 L229 Q310 A311 A316 N317 V318Q225-L314 HydrophobicContact CB-CD1 4.29Å; Q225-L314 HydrophobicContact CG-CD1 4.26Å; R228-L314 HydrophobicContact CB-CD2 3.61Å; L229-L314 HydrophobicContact CB-CD2 4.5Å; Q310-L314 WeakPolarHBondContact O-CB 3.4Å; Q310-L314 PolarHBondContact O-N 2.87Å; A311-L314 PolarHBondContact O-N 3.3Å; L314-A316 PolarHBondContact O-N 3.46Å; L314-N317 WeakPolarHBondContact O-CB 3.15Å; L314-N317 PolarHBondContact O-N 2.98Å; L314-V318 HydrophobicContact CD1-CG2 4.43Å; L314-V318 WeakPolarHBondContact O-CG2 3.22Å; L314-V318 PolarHBondContact O-N 3.21Å
315E85.9Confident82.7Confident30 Ų3059.3 Ų59.314%0.1432%0.32CS..Hα-helixtrans-58.3-49.1177.9-171.3172.9177.300111.4L229 R241 W245 A311 S312 N317 V318 R319L229-E315 HydrophobicContact CD1-CB 4.06Å; L229-E315 HydrophobicContact CD1-CG 4.02Å; R241-E315 IonicContact CZ-OE1 3.91Å; R241-E315 IonicContact NH1-OE1 3.89Å; W245-E315 HydrophobicContact CZ2-CG 3.77Å; W245-E315 PolarHBondContact NE1-OE1 2.94Å; A311-E315 WeakPolarHBondContact O-CB 3.47Å; A311-E315 PolarHBondContact O-N 3.3Å; S312-E315 PolarHBondContact O-N 2.66Å; E315-N317 VanDerWaalsContact C-N 3.28Å; E315-N317 PolarHBondContact O-N 3.4Å; E315-V318 PolarHBondContact O-N 2.99Å; E315-R319 WeakPolarHBondContact O-CB 3.43Å; E315-R319 PolarHBondContact O-N 3.39Å
316A84.7Confident82.9Confident43 Ų4366.4 Ų66.436%0.35536%0.355SS..Hα-helixtrans-59.9-36.5177.600000112.8S312 L314 K320S312-A316 VanDerWaalsContact O-CB 3.24Å; S312-A316 WeakPolarHBondContact O-CB 3.41Å; S312-A316 PolarHBondContact O-N 3.29Å; L314-A316 PolarHBondContact O-N 3.46Å; A316-K320 VanDerWaalsContact O-CB 3.26Å; A316-K320 WeakPolarHBondContact O-CB 3.44Å; A316-K320 PolarHBondContact O-N 3.42Å
317N86.4Confident83Confident74 Ų7469.6 Ų69.640%0.39637%0.37SS..Hα-helixtrans-67-48.6175.8-171.9-35.9000111.4S313 L314 E315 K320 K321S313-N317 WeakPolarHBondContact O-CB 3.4Å; S313-N317 PolarHBondContact O-N 3.19Å; L314-N317 WeakPolarHBondContact O-CB 3.15Å; L314-N317 PolarHBondContact O-N 2.98Å; E315-N317 VanDerWaalsContact C-N 3.28Å; E315-N317 PolarHBondContact O-N 3.4Å; N317-K320 PolarHBondContact O-N 3.35Å; N317-K321 WeakPolarHBondContact O-CG 3.43Å; N317-K321 PolarHBondContact O-N 3.16Å; N317-K321 VanDerWaalsContact O-N 3.12Å; N317-K321 WeakPolarHBondContact OD1-CD 2.99Å; N317-K321 WeakPolarHBondContact OD1-CE 3.43Å; N317-K321 PolarHBondContact OD1-NZ 3.39Å
318V86.6Confident83.4Confident0 Ų066.6 Ų66.60%036%0.355CS..Hα-helixtrans-63.4-45.1177.6178.60000110.2L208 V221 L229 W245 L314 E315 K320 K321 T322L208-V318 HydrophobicContact CD2-CG1 4.11Å; V221-V318 HydrophobicContact CG1-CG2 4.45Å; V221-V318 HydrophobicContact CG2-CG1 4.19Å; V221-V318 HydrophobicContact CG2-CG2 4.28Å; L229-V318 HydrophobicContact CD2-CB 4.27Å; L229-V318 HydrophobicContact CD2-CG1 3.87Å; L229-V318 HydrophobicContact CD2-CG2 4.4Å; W245-V318 HydrophobicContact CH2-CB 4.28Å; W245-V318 HydrophobicContact CH2-CG1 3.79Å; W245-V318 HydrophobicContact CZ3-CG1 4.22Å; L314-V318 HydrophobicContact CD1-CG2 4.43Å; L314-V318 WeakPolarHBondContact O-CG2 3.22Å; L314-V318 PolarHBondContact O-N 3.21Å; E315-V318 PolarHBondContact O-N 2.99Å; V318-K320 PolarHBondContact O-N 3.22Å; V318-K321 PolarHBondContact O-N 2.9Å; V318-T322 VanDerWaalsContact O-CB 3.31Å; V318-T322 WeakPolarHBondContact O-CB 3.44Å; V318-T322 PolarHBondContact O-N 2.84Å; V318-T322 PolarHBondContact O-OG1 2.68Å
319R88.3Confident83.7Confident25 Ų2566.1 Ų66.19%0.09435%0.35CS..Hα-helixtrans-55-51.9175.3179.9176.1-177.1-161-6.2111.6W245 E248 S249 E315 K321 T322 L323W245-R319 HydrophobicContact CB-CG 4Å; W245-R319 HydrophobicContact CD2-CB 3.78Å; W245-R319 HydrophobicContact CD2-CG 3.67Å; W245-R319 HydrophobicContact CE3-CB 4.02Å; W245-R319 HydrophobicContact CE3-CG 4.08Å; W245-R319 HydrophobicContact CG-CB 4.24Å; W245-R319 HydrophobicContact CG-CG 3.63Å; W245-R319 HydrophobicContact CH2-CB 4.39Å; W245-R319 HydrophobicContact CZ2-CB 4.17Å; W245-R319 HydrophobicContact CZ3-CB 4.31Å; W245-R319 PolarHBondContact O-NH2 3Å; E248-R319 PolarHBondContact O-NH2 3.5Å; E248-R319 IonicContact OE2-NH1 3.66Å; S249-R319 PolarHBondContact O-NH1 2.78Å; E315-R319 WeakPolarHBondContact O-CB 3.43Å; E315-R319 PolarHBondContact O-N 3.39Å; R319-K321 VanDerWaalsContact C-N 3.32Å; R319-K321 PolarHBondContact O-N 2.95Å; R319-T322 PolarHBondContact O-N 3.2Å; R319-T322 VanDerWaalsContact O-N 3.13Å; R319-L323 HydrophobicContact CG-CD1 3.86Å; R319-L323 HydrophobicContact CG-CG 4.32Å; R319-L323 WeakPolarHBondContact O-CB 3.02Å; R319-L323 WeakPolarHBondContact O-CG 3.46Å; R319-L323 PolarHBondContact O-N 2.96Å
320K86.9Confident84.1Confident164 Ų16460.2 Ų60.271%0.71333%0.328SS*.Hα-helixtrans-56-44.8178.3-179.4-179.8179.5178.30112.1A316 N317 V318 A324A316-K320 VanDerWaalsContact O-CB 3.26Å; A316-K320 WeakPolarHBondContact O-CB 3.44Å; A316-K320 PolarHBondContact O-N 3.42Å; N317-K320 PolarHBondContact O-N 3.35Å; V318-K320 PolarHBondContact O-N 3.22Å; K320-A324 WeakPolarHBondContact O-CB 3.27Å; K320-A324 PolarHBondContact O-N 3.38Å
321K87.8Confident84.7Confident58 Ų5858.2 Ų58.225%0.25232%0.324SS..Hα-helixtrans-68.8-37.2178.2-71.4169.2172.2162.70112.4I218 G220 V221 N317 V318 R319 A324 S325I218-K321 HydrophobicContact CG2-CB 3.66Å; G220-K321 PolarHBondContact O-NZ 2.93Å; V221-K321 HydrophobicContact CG2-CD 3.91Å; N317-K321 WeakPolarHBondContact O-CG 3.43Å; N317-K321 PolarHBondContact O-N 3.16Å; N317-K321 VanDerWaalsContact O-N 3.12Å; N317-K321 WeakPolarHBondContact OD1-CD 2.99Å; N317-K321 WeakPolarHBondContact OD1-CE 3.43Å; N317-K321 PolarHBondContact OD1-NZ 3.39Å; V318-K321 PolarHBondContact O-N 2.9Å; R319-K321 VanDerWaalsContact C-N 3.32Å; R319-K321 PolarHBondContact O-N 2.95Å; K321-A324 PolarHBondContact O-N 2.69Å; K321-S325 PolarHBondContact O-N 2.8Å
322T87.6Confident85.4Confident0 Ų063.8 Ų63.80%035%0.347CS..Hα-helixtrans-68-47.4-179.6-55.70000110.7F242 W245 V318 R319 A324 S325 F328 F330F242-T322 HydrophobicContact CD1-CG2 4.48Å; W245-T322 HydrophobicContact CE3-CG2 4.29Å; W245-T322 HydrophobicContact CZ3-CG2 4.1Å; V318-T322 VanDerWaalsContact O-CB 3.31Å; V318-T322 WeakPolarHBondContact O-CB 3.44Å; V318-T322 PolarHBondContact O-N 2.84Å; V318-T322 PolarHBondContact O-OG1 2.68Å; R319-T322 PolarHBondContact O-N 3.2Å; R319-T322 VanDerWaalsContact O-N 3.13Å; T322-A324 VanDerWaalsContact C-N 3.26Å; T322-A324 PolarHBondContact O-N 2.86Å; T322-S325 WeakPolarHBondContact O-CB 3.3Å; T322-S325 PolarHBondContact O-N 3.01Å; T322-F328 HydrophobicContact CG2-CD2 3.69Å; T322-F328 HydrophobicContact CG2-CE2 3.94Å; T322-F330 HydrophobicContact CG2-CE2 3.73Å; T322-F330 HydrophobicContact CG2-CZ 4.21Å
323L86.7Confident85.9Confident75 Ų7560.9 Ų60.939%0.39333%0.326SS..Hα-helixtrans-65.4-26.4175.7-67.4175.2000113.2R319 S325 F328R319-L323 HydrophobicContact CG-CD1 3.86Å; R319-L323 HydrophobicContact CG-CG 4.32Å; R319-L323 WeakPolarHBondContact O-CB 3.02Å; R319-L323 WeakPolarHBondContact O-CG 3.46Å; R319-L323 PolarHBondContact O-N 2.96Å; L323-S325 PolarHBondContact O-N 3.27Å; L323-F328 HydrophobicContact CD2-CD1 3.91Å; L323-F328 HydrophobicContact CD2-CE1 3.5Å; L323-F328 HydrophobicContact CD2-CE2 4.41Å; L323-F328 HydrophobicContact CD2-CZ 3.78Å
324A86.8Confident86.4Confident80 Ų8058.5 Ų58.566%0.66131%0.307SS*.THydrogen-bonded Turntrans-76-9.6174.300000113.3K320 K321 T322K320-A324 WeakPolarHBondContact O-CB 3.27Å; K320-A324 PolarHBondContact O-N 3.38Å; K321-A324 PolarHBondContact O-N 2.69Å; T322-A324 VanDerWaalsContact C-N 3.26Å; T322-A324 PolarHBondContact O-N 2.86Å
325S85.5Confident86.8Confident24 Ų2460.6 Ų60.617%0.16832%0.318CS..  trans-75131.6177-173.40000110.9K321 T322 L323 Q327 F328K321-S325 PolarHBondContact O-N 2.8Å; T322-S325 WeakPolarHBondContact O-CB 3.3Å; T322-S325 PolarHBondContact O-N 3.01Å; L323-S325 PolarHBondContact O-N 3.27Å; S325-Q327 PolarHBondContact O-N 2.7Å; S325-F328 WeakPolarHBondContact O-CB 3.48Å; S325-F328 PolarHBondContact O-N 2.98Å
326Q82.6Confident87.1Confident198 Ų19860 Ų6093%0.92532%0.316SS*.THydrogen-bonded Turntrans-66.2-17.4178.1-64.9179.3-3.300113.5
327Q81.1Confident87.5Confident94 Ų9458.1 Ų58.144%0.43930%0.299SS..THydrogen-bonded Turntrans-94.7-4.4-179-65.7179-58.800112.9S325 F330S325-Q327 PolarHBondContact O-N 2.7Å; Q327-F330 HydrophobicContact CB-CD1 3.75Å; Q327-F330 HydrophobicContact CB-CE1 3.72Å; Q327-F330 VanDerWaalsContact O-CA 3.28Å; Q327-F330 WeakPolarHBondContact O-CA 3.41Å; Q327-F330 WeakPolarHBondContact O-CD1 3.37Å; Q327-F330 PolarHBondContact O-N 3.38Å
328F83.4Confident87.8Confident37 Ų3757.5 Ų57.516%0.16230%0.296CS..THydrogen-bonded Turntrans-66.9134.9175.5-174.7-93.4000109.7F242 E246 T322 L323 S325 F330F242-F328 HydrophobicContact CB-CE2 4.32Å; F242-F328 WeakPolarHBondContact O-CZ 3.41Å; E246-F328 HydrophobicContact CB-CE1 4.1Å; E246-F328 HydrophobicContact CB-CZ 4.15Å; E246-F328 HydrophobicContact CG-CE1 4.36Å; T322-F328 HydrophobicContact CG2-CD2 3.69Å; T322-F328 HydrophobicContact CG2-CE2 3.94Å; L323-F328 HydrophobicContact CD2-CD1 3.91Å; L323-F328 HydrophobicContact CD2-CE1 3.5Å; L323-F328 HydrophobicContact CD2-CE2 4.41Å; L323-F328 HydrophobicContact CD2-CZ 3.78Å; S325-F328 WeakPolarHBondContact O-CB 3.48Å; S325-F328 PolarHBondContact O-N 2.98Å; F328-F330 HydrophobicContact CB-CE1 4.48Å; F328-F330 HydrophobicContact CB-CE2 4.24Å; F328-F330 HydrophobicContact CB-CZ 4.03Å; F328-F330 HydrophobicContact CD2-CD2 4.01Å; F328-F330 AromaticContact CD2-CE2 3.56Å; F328-F330 HydrophobicContact CD2-CE2 3.56Å; F328-F330 HydrophobicContact CD2-CZ 4.15Å; F328-F330 HydrophobicContact CE2-CE2 4.43Å; F328-F330 HydrophobicContact CG-CE2 4.39Å
329P80.8Confident88Confident46 Ų4661.4 Ų61.430%0.29932%0.32SS..THydrogen-bonded Turncis-89.721.715.333.4-35.3000117.5T331P329-T331 PolarHBondContact O-N 3.05Å
330F88.4Confident87.9Confident5 Ų563.8 Ų63.82%0.02234%0.34CS..  trans56.217.7177-43-67.2000115.7I207 I214 I218 T322 Q327 F328 E332 I333 I334I207-F330 HydrophobicContact CD1-CB 4.02Å; I207-F330 HydrophobicContact CD1-CD2 4.32Å; I207-F330 HydrophobicContact CD1-CG 4.36Å; I207-F330 HydrophobicContact CG2-CD1 4.16Å; I207-F330 HydrophobicContact CG2-CD2 3.47Å; I207-F330 VanDerWaalsContact CG2-CD2 3.47Å; I207-F330 HydrophobicContact CG2-CE1 4.23Å; I207-F330 HydrophobicContact CG2-CE2 3.52Å; I207-F330 HydrophobicContact CG2-CG 3.82Å; I207-F330 HydrophobicContact CG2-CZ 3.96Å; I214-F330 HydrophobicContact CD1-CD1 4.34Å; I214-F330 HydrophobicContact CD1-CE1 4.01Å; I218-F330 HydrophobicContact CD1-CE1 4.16Å; I218-F330 HydrophobicContact CD1-CE2 4.21Å; I218-F330 HydrophobicContact CD1-CZ 3.48Å; I218-F330 VanDerWaalsContact CD1-CZ 3.48Å; T322-F330 HydrophobicContact CG2-CE2 3.73Å; T322-F330 HydrophobicContact CG2-CZ 4.21Å; Q327-F330 HydrophobicContact CB-CD1 3.75Å; Q327-F330 HydrophobicContact CB-CE1 3.72Å; Q327-F330 VanDerWaalsContact O-CA 3.28Å; Q327-F330 WeakPolarHBondContact O-CA 3.41Å; Q327-F330 WeakPolarHBondContact O-CD1 3.37Å; Q327-F330 PolarHBondContact O-N 3.38Å; F328-F330 HydrophobicContact CB-CE1 4.48Å; F328-F330 HydrophobicContact CB-CE2 4.24Å; F328-F330 HydrophobicContact CB-CZ 4.03Å; F328-F330 HydrophobicContact CD2-CD2 4.01Å; F328-F330 AromaticContact CD2-CE2 3.56Å; F328-F330 HydrophobicContact CD2-CE2 3.56Å; F328-F330 HydrophobicContact CD2-CZ 4.15Å; F328-F330 HydrophobicContact CE2-CE2 4.43Å; F328-F330 HydrophobicContact CG-CE2 4.39Å; F330-E332 PolarHBondContact O-N 3.45Å; F330-E332 VanDerWaalsContact O-N 3.13Å; F330-I333 PolarHBondContact O-N 3.03Å; F330-I334 HydrophobicContact CB-CD1 4.26Å; F330-I334 HydrophobicContact CB-CG1 4.43Å; F330-I334 WeakPolarHBondContact O-CG1 3.42Å; F330-I334 PolarHBondContact O-N 3.07Å
331T88.4Confident88Confident73 Ų7360.9 Ų60.945%0.44833%0.327SS..Hα-helixtrans-54.3-38.4-173.4-490000112.6P329 I334 N335P329-T331 PolarHBondContact O-N 3.05Å; T331-I334 PolarHBondContact O-N 2.74Å; T331-N335 VanDerWaalsContact O-CB 3.24Å; T331-N335 WeakPolarHBondContact O-CB 3.35Å; T331-N335 PolarHBondContact O-N 3.07Å; T331-N335 PolarHBondContact O-ND2 3.48Å
332E89.6Confident87.8Confident137 Ų13758.9 Ų58.964%0.6432%0.32SS*.Hα-helixtrans-66-40.5178.8-53.7-174.8164.600112.4L81 F330 E336L81-E332 HydrophobicContact CD1-CB 3.85Å; L81-E332 WeakPolarHBondContact CD2-OE2 3.33Å; F330-E332 PolarHBondContact O-N 3.45Å; F330-E332 VanDerWaalsContact O-N 3.13Å; E332-E336 WeakPolarHBondContact O-CB 3.33Å; E332-E336 PolarHBondContact O-N 2.9Å
333I90.5Very high87.6Confident4 Ų467 Ų672%0.02136%0.355CS..Hα-helixtrans-70.7-42.1177.9-58175.6000110.2L81 I207 I214 F330 E336 F337L81-I333 HydrophobicContact CD1-CG1 4.45Å; I207-I333 HydrophobicContact CG1-CG2 4.48Å; I214-I333 HydrophobicContact CB-CD1 3.99Å; I214-I333 HydrophobicContact CG2-CD1 4.2Å; F330-I333 PolarHBondContact O-N 3.03Å; I333-E336 WeakPolarHBondContact O-CB 3.29Å; I333-E336 PolarHBondContact O-N 3.42Å; I333-F337 HydrophobicContact CG2-CD2 4.23Å; I333-F337 HydrophobicContact CG2-CE2 4Å; I333-F337 WeakPolarHBondContact O-CD2 3.17Å; I333-F337 PolarHBondContact O-N 2.95Å
334I92.5Very high87.4Confident27 Ų2768.8 Ų68.814%0.13837%0.371CS..Hα-helixtrans-62-47.3177.6-66.2166.8000109.9V203 I207 L239 F330 T331 E336 F337 L338V203-I334 HydrophobicContact CG1-CG1 4.46Å; I207-I334 HydrophobicContact CD1-CD1 4.12Å; I207-I334 HydrophobicContact CD1-CG1 3.67Å; L239-I334 HydrophobicContact CD1-CG2 4.12Å; L239-I334 HydrophobicContact CD2-CD1 3.95Å; L239-I334 HydrophobicContact CD2-CG1 4.05Å; F330-I334 HydrophobicContact CB-CD1 4.26Å; F330-I334 HydrophobicContact CB-CG1 4.43Å; F330-I334 WeakPolarHBondContact O-CG1 3.42Å; F330-I334 PolarHBondContact O-N 3.07Å; T331-I334 PolarHBondContact O-N 2.74Å; I334-E336 VanDerWaalsContact C-N 3.31Å; I334-E336 PolarHBondContact O-N 3.24Å; I334-F337 PolarHBondContact O-N 3Å; I334-L338 HydrophobicContact CG2-CD1 3.63Å; I334-L338 HydrophobicContact CG2-CG 4.21Å; I334-L338 WeakPolarHBondContact O-CB 3.26Å; I334-L338 WeakPolarHBondContact O-CG 3.41Å; I334-L338 PolarHBondContact O-N 2.8Å
335N92.3Very high87.1Confident78 Ų7866.9 Ų66.942%0.41735%0.351SS..Hα-helixtrans-65.7-33.2178.7-72.8-14.6000112.4T331 F337 L338 V339T331-N335 VanDerWaalsContact O-CB 3.24Å; T331-N335 WeakPolarHBondContact O-CB 3.35Å; T331-N335 PolarHBondContact O-N 3.07Å; T331-N335 PolarHBondContact O-ND2 3.48Å; N335-F337 VanDerWaalsContact C-N 3.3Å; N335-F337 PolarHBondContact O-N 2.87Å; N335-L338 PolarHBondContact O-N 2.95Å; N335-V339 HydrophobicContact CB-CG2 4.2Å; N335-V339 VanDerWaalsContact O-CB 3.27Å; N335-V339 WeakPolarHBondContact O-CB 3.47Å; N335-V339 PolarHBondContact O-N 3.38Å
336E92.4Very high86.9Confident18 Ų1869.5 Ų69.58%0.08437%0.374CS..Hα-helixtrans-55.2-46.5173.5-175.564-14000111.6P79 Y165 Y213 E332 I333 I334 K341P79-E336 WeakPolarHBondContact CG-OE1 3.39Å; Y165-E336 WeakPolarHBondContact CE1-O 3.42Å; Y213-E336 HydrophobicContact CD1-CG 4.34Å; Y213-E336 HydrophobicContact CE1-CG 3.66Å; Y213-E336 HydrophobicContact CE2-CG 4.45Å; E332-E336 WeakPolarHBondContact O-CB 3.33Å; E332-E336 PolarHBondContact O-N 2.9Å; I333-E336 WeakPolarHBondContact O-CB 3.29Å; I333-E336 PolarHBondContact O-N 3.42Å; I334-E336 VanDerWaalsContact C-N 3.31Å; I334-E336 PolarHBondContact O-N 3.24Å; E336-K341 IonicContact OE1-NZ 2.69Å; E336-K341 PolarHBondContact OE1-NZ 3.42Å; E336-K341 IonicContact OE2-NZ 3.43Å; E336-K341 PolarHBondContact OE2-NZ 3.36Å
337F93.4Very high86.9Confident3 Ų367.7 Ų67.71%0.01337%0.366CS..Hα-helixtrans-80-34.1-178.9-72.3-64.5000113.8D161 L164 Y165 R199 V203 Y213 I333 I334 N335D161-F337 HydrophobicContact CB-CE1 4.16Å; L164-F337 HydrophobicContact CB-CB 4.31Å; L164-F337 HydrophobicContact CB-CD1 3.43Å; L164-F337 VanDerWaalsContact CB-CD1 3.43Å; L164-F337 HydrophobicContact CB-CE1 3.77Å; L164-F337 HydrophobicContact CB-CG 3.88Å; L164-F337 HydrophobicContact CB-CZ 4.47Å; L164-F337 HydrophobicContact CD2-CD1 3.91Å; L164-F337 HydrophobicContact CD2-CD2 4.09Å; L164-F337 HydrophobicContact CD2-CE1 3.55Å; L164-F337 HydrophobicContact CD2-CE2 3.75Å; L164-F337 HydrophobicContact CD2-CG 4.15Å; L164-F337 HydrophobicContact CD2-CZ 3.45Å; L164-F337 VanDerWaalsContact CD2-CZ 3.45Å; L164-F337 HydrophobicContact CG-CD1 4.35Å; L164-F337 HydrophobicContact CG-CE1 4.37Å; Y165-F337 HydrophobicContact CD1-CD1 4.07Å; Y165-F337 HydrophobicContact CD2-CD1 4.25Å; Y165-F337 HydrophobicContact CD2-CE1 4.41Å; Y165-F337 AromaticContact CE1-CD1 3.81Å; Y165-F337 HydrophobicContact CE1-CD1 3.81Å; Y165-F337 HydrophobicContact CE1-CE1 4.41Å; Y165-F337 AromaticContact CE2-CD1 3.99Å; Y165-F337 HydrophobicContact CE2-CD1 3.99Å; Y165-F337 AromaticContact CE2-CE1 3.89Å; Y165-F337 HydrophobicContact CE2-CE1 3.89Å; Y165-F337 HydrophobicContact CG-CD1 4.27Å; Y165-F337 AromaticContact CZ-CD1 3.76Å; Y165-F337 AromaticContact CZ-CE1 3.9Å; R199-F337 PolarHBondContact NH2-O 3.43Å; V203-F337 HydrophobicContact CG1-CB 4.47Å; V203-F337 HydrophobicContact CG1-CD2 4.23Å; V203-F337 HydrophobicContact CG2-CB 3.95Å; V203-F337 HydrophobicContact CG2-CG 4.42Å; Y213-F337 HydrophobicContact CD2-CE1 4.33Å; Y213-F337 AromaticContact CD2-CE2 3.72Å; Y213-F337 HydrophobicContact CD2-CE2 3.72Å; Y213-F337 AromaticContact CD2-CZ 3.42Å; Y213-F337 HydrophobicContact CD2-CZ 3.42Å; Y213-F337 VanDerWaalsContact CD2-CZ 3.42Å; Y213-F337 AromaticContact CE2-CE1 3.82Å; Y213-F337 HydrophobicContact CE2-CE1 3.82Å; Y213-F337 HydrophobicContact CE2-CE2 4.01Å; Y213-F337 AromaticContact CE2-CZ 3.36Å; Y213-F337 HydrophobicContact CE2-CZ 3.36Å; I333-F337 HydrophobicContact CG2-CD2 4.23Å; I333-F337 HydrophobicContact CG2-CE2 4Å; I333-F337 WeakPolarHBondContact O-CD2 3.17Å; I333-F337 PolarHBondContact O-N 2.95Å; I334-F337 PolarHBondContact O-N 3Å; N335-F337 VanDerWaalsContact C-N 3.3Å; N335-F337 PolarHBondContact O-N 2.87Å
338L93.3Very high87.1Confident61 Ų6165.7 Ų65.732%0.31936%0.356SS..Hα-helixtrans-90.8-29-172.2-63.5-172.9000114.1R199 V203 L239 I334 N335R199-L338 HydrophobicContact CG-CD2 4.45Å; V203-L338 HydrophobicContact CG2-CD2 4.21Å; L239-L338 HydrophobicContact CD1-CD1 4.03Å; I334-L338 HydrophobicContact CG2-CD1 3.63Å; I334-L338 HydrophobicContact CG2-CG 4.21Å; I334-L338 WeakPolarHBondContact O-CB 3.26Å; I334-L338 WeakPolarHBondContact O-CG 3.41Å; I334-L338 PolarHBondContact O-N 2.8Å; N335-L338 PolarHBondContact O-N 2.95Å
339V90.5Very high87.1Confident83 Ų8372.2 Ų72.250%0.50338%0.384SS..SBendtrans-96.6112.7-178-176.20000109.8N335 K341N335-V339 HydrophobicContact CB-CG2 4.2Å; N335-V339 VanDerWaalsContact O-CB 3.27Å; N335-V339 WeakPolarHBondContact O-CB 3.47Å; N335-V339 PolarHBondContact O-N 3.38Å; V339-K341 PolarHBondContact O-N 2.89Å
340S86.1Confident87.3Confident75 Ų7573.4 Ų73.452%0.52438%0.382SS..  trans-69.3131.1175.7-174.50000111
341K87.6Confident87.3Confident103 Ų10379.6 Ų79.645%0.44841%0.406SS..  trans-104.6-13.8176.3-60.2173.3-172.8168.30112.5A136 E336 V339A136-K341 HydrophobicContact CB-CB 4.12Å; E336-K341 IonicContact OE1-NZ 2.69Å; E336-K341 PolarHBondContact OE1-NZ 3.42Å; E336-K341 IonicContact OE2-NZ 3.43Å; E336-K341 PolarHBondContact OE2-NZ 3.36Å; V339-K341 PolarHBondContact O-N 2.89Å
342D85.3Confident87.3Confident16 Ų1679.4 Ų79.49%0.08640%0.4CS..PPolyproline II helixtrans-74.2142.5-174.8-68.2-60.6000111.1A136 M142 Y145A136-D342 WeakPolarHBondContact CB-OD1 3.3Å; A136-D342 PolarHBondContact N-OD1 2.96Å; M142-D342 WeakPolarHBondContact CA-OD2 3.29Å; M142-D342 PolarHBondContact N-OD2 2.96Å; M142-D342 HydrophobicContact SD-CB 3.55Å; M142-D342 VanDerWaalsContact SD-CB 3.55Å; M142-D342 VanDerWaalsContact SD-CG 3.55Å; Y145-D342 HydrophobicContact CD1-CB 4.21Å; Y145-D342 HydrophobicContact CG-CB 4.21Å
343K83.3Confident87.5Confident169 Ų16973.2 Ų73.274%0.73537%0.371SS*.PPolyproline II helixtrans-83.3150-178.3-65.9178.9-177.4174.90110.1V345K343-V345 PolarHBondContact O-N 2.93Å
344P81.3Confident87.7Confident114 Ų11476.4 Ų76.474%0.7439%0.388SS*.PPolyproline II helixtrans-53.2129.3170.1-2534000111.5Y145Y145-P344 WeakPolarHBondContact OH-CA 3.28Å
345V81.6Confident87.8Confident39 Ų3975.4 Ų75.424%0.23638%0.383CS..PPolyproline II helixtrans-101.9138.5177.6-167.90000109.3V133 M142 L146 L151 K343 F348V133-V345 HydrophobicContact CG1-CG1 3.84Å; V133-V345 HydrophobicContact CG1-CG2 4.43Å; M142-V345 HydrophobicContact CE-CG2 3.21Å; L146-V345 HydrophobicContact CD2-CB 4.44Å; L146-V345 HydrophobicContact CD2-CG2 4.17Å; L151-V345 HydrophobicContact CD1-CB 4.5Å; K343-V345 PolarHBondContact O-N 2.93Å; V345-F348 HydrophobicContact CB-CZ 4.36Å; V345-F348 HydrophobicContact CG1-CE1 3.64Å; V345-F348 HydrophobicContact CG1-CZ 3.82Å
346A80.2Confident88Confident80 Ų8074.1 Ų74.166%0.66138%0.376SS*.PPolyproline II helixtrans-64.5164.4170.700000111.4F348A346-F348 PolarHBondContact O-N 2.8Å
347H82.3Confident88.2Confident160 Ų16076.3 Ų76.374%0.74139%0.388SS*.PPolyproline II helixtrans-61.2134.7177.9-72.342000111.4K349H347-K349 PolarHBondContact O-N 2.78Å
348F87.1Confident88.4Confident52 Ų5276.1 Ų76.123%0.22839%0.387CS..PPolyproline II helixtrans-70.5123-179.6-58.4-65.5000111.4V71 P131 V133 L146 L151 V345 A346V71-F348 HydrophobicContact CB-CE2 4.45Å; V71-F348 HydrophobicContact CG1-CD1 3.94Å; V71-F348 HydrophobicContact CG1-CD2 4.31Å; V71-F348 HydrophobicContact CG1-CE1 3.56Å; V71-F348 HydrophobicContact CG1-CE2 3.95Å; V71-F348 HydrophobicContact CG1-CG 4.3Å; V71-F348 HydrophobicContact CG1-CZ 3.57Å; V71-F348 HydrophobicContact CG2-CB 4.31Å; V71-F348 HydrophobicContact CG2-CD1 4.21Å; V71-F348 HydrophobicContact CG2-CD2 3.56Å; V71-F348 HydrophobicContact CG2-CE1 4.48Å; V71-F348 HydrophobicContact CG2-CE2 3.87Å; V71-F348 HydrophobicContact CG2-CG 3.75Å; V71-F348 HydrophobicContact CG2-CZ 4.33Å; P131-F348 HydrophobicContact CB-CB 4.13Å; P131-F348 HydrophobicContact CB-CD1 3.87Å; P131-F348 HydrophobicContact CB-CG 4.33Å; P131-F348 HydrophobicContact CG-CB 4.02Å; P131-F348 HydrophobicContact CG-CD1 4.4Å; P131-F348 HydrophobicContact CG-CG 4.42Å; V133-F348 HydrophobicContact CG1-CE1 3.64Å; V133-F348 HydrophobicContact CG1-CZ 4.21Å; L146-F348 HydrophobicContact CD1-CE2 4.46Å; L146-F348 HydrophobicContact CD1-CZ 4.1Å; L146-F348 HydrophobicContact CD2-CE2 4.07Å; L146-F348 HydrophobicContact CD2-CZ 3.77Å; L151-F348 HydrophobicContact CB-CE2 4.21Å; V345-F348 HydrophobicContact CB-CZ 4.36Å; V345-F348 HydrophobicContact CG1-CE1 3.64Å; V345-F348 HydrophobicContact CG1-CZ 3.82Å; A346-F348 PolarHBondContact O-N 2.8Å
349K83.3Confident88.6Confident174 Ų17473.4 Ų73.476%0.75737%0.373SS*.  trans-107.1120.7172.1-70.1-176.4-178.4-179.50109.5H347H347-K349 PolarHBondContact O-N 2.78Å
350R84.8Confident88.9Confident70 Ų7075.1 Ų75.126%0.26437%0.374SS..PPolyproline II helixtrans-74.3133169.9-161.3173.6-173.2139.610.7109.3T64 G129T64-R350 PolarHBondContact OG1-NH2 2.91Å; G129-R350 WeakPolarHBondContact O-CG 3.31Å
351R88.4Confident89.4Confident136 Ų13671.9 Ų71.951%0.51335%0.35SS..PPolyproline II helixtrans-101.8164175.7-62.4-177.7-63.5-155-4.1109.8D126 G129D126-R351 IonicContact OD1-CZ 3.87Å; D126-R351 IonicContact OD1-NH2 2.65Å; D126-R351 PolarHBondContact OD1-NH2 3.47Å; G129-R351 PolarHBondContact O-N 3.3Å
352Q88.7Confident89.8Confident69 Ų6967 Ų6732%0.32233%0.328SS..PPolyproline II helixtrans-69.8139.7171.4-170174.35.700110.1
353P93.9Very high90.3Very high7 Ų769.1 Ų69.15%0.04534%0.344CS..PPolyproline II helixtrans-59.9136.1172.5-22.532.5000111.7Y127 V377 L380 M381Y127-P353 CarbonylContact O-C 3.45Å; Y127-P353 WeakPolarHBondContact O-CA 3.48Å; P353-V377 HydrophobicContact CB-CG1 3.9Å; P353-L380 HydrophobicContact CG-CB 3.99Å; P353-M381 HydrophobicContact CB-CG 4.03Å; P353-M381 HydrophobicContact CG-CG 4.2Å
354N94.4Very high90.8Very high70 Ų7067.6 Ų67.637%0.37434%0.34SS..  trans-96100.9175.6-171.1-49.2000110.2Y127 L356 L357 M358Y127-N354 PolarHBondContact O-N 3.14Å; N354-L356 PolarHBondContact O-N 3.18Å; N354-L356 PolarHBondContact OD1-N 3.22Å; N354-L357 HydrophobicContact CB-CB 4.24Å; N354-L357 HydrophobicContact CB-CD1 4.22Å; N354-L357 HydrophobicContact CB-CG 4.4Å; N354-L357 WeakPolarHBondContact ND2-CD1 3.15Å; N354-L357 WeakPolarHBondContact OD1-CG 3.34Å; N354-L357 PolarHBondContact OD1-N 3.35Å; N354-M358 VanDerWaalsContact O-CB 3.3Å; N354-M358 WeakPolarHBondContact O-CB 3.46Å; N354-M358 PolarHBondContact O-N 3.31Å
355I94.6Very high91.4Very high6 Ų664.4 Ų64.43%0.03131%0.314CS..Hα-helixtrans-61.7-41-176.3-167.3171.3000112.8M358 Q359 V377 M381 E426 H427 F428I355-M358 PolarHBondContact O-N 3.49Å; I355-Q359 HydrophobicContact CG1-CG 4.4Å; I355-Q359 WeakPolarHBondContact O-CB 3.42Å; I355-Q359 WeakPolarHBondContact O-CG 3.48Å; I355-Q359 PolarHBondContact O-N 3.14Å; I355-V377 HydrophobicContact CB-CG1 4.3Å; I355-V377 HydrophobicContact CG1-CB 4.49Å; I355-V377 HydrophobicContact CG1-CG1 4.37Å; I355-M381 HydrophobicContact CB-SD 4.03Å; I355-M381 HydrophobicContact CD1-SD 4.3Å; I355-E426 WeakPolarHBondContact CG2-O 3.31Å; I355-H427 HydrophobicContact CG2-CB 4.22Å; I355-F428 HydrophobicContact CD1-CB 4.4Å; I355-F428 HydrophobicContact CD1-CD2 3.92Å
356L95.9Very high91.9Very high51 Ų5162.9 Ų62.927%0.26731%0.305SS..Hα-helixtrans-67.4-46-177177.463.4000111.8N354 Q359 K360 H427N354-L356 PolarHBondContact O-N 3.18Å; N354-L356 PolarHBondContact OD1-N 3.22Å; L356-Q359 PolarHBondContact O-N 2.73Å; L356-K360 WeakPolarHBondContact O-CG 3.4Å; L356-K360 PolarHBondContact O-N 3.13Å; L356-K360 VanDerWaalsContact O-N 3.12Å; L356-H427 HydrophobicContact CB-CB 4.21Å; L356-H427 HydrophobicContact CD1-CB 4.38Å
357L97.1Very high92.6Very high64 Ų6465.6 Ų65.634%0.33530%0.304SS..Hα-helixtrans-66.6-41.3177.4-64.9177.9000110.7Y127 N354 Q359 K360 F361Y127-L357 HydrophobicContact CD1-CB 3.54Å; Y127-L357 HydrophobicContact CD1-CD1 3.75Å; Y127-L357 HydrophobicContact CD1-CG 4.27Å; Y127-L357 HydrophobicContact CD2-CB 4.29Å; Y127-L357 HydrophobicContact CE1-CB 3.71Å; Y127-L357 HydrophobicContact CE1-CD1 3.64Å; Y127-L357 HydrophobicContact CE1-CG 4.17Å; Y127-L357 HydrophobicContact CE2-CB 4.42Å; Y127-L357 HydrophobicContact CG-CB 3.87Å; N354-L357 HydrophobicContact CB-CB 4.24Å; N354-L357 HydrophobicContact CB-CD1 4.22Å; N354-L357 HydrophobicContact CB-CG 4.4Å; N354-L357 WeakPolarHBondContact ND2-CD1 3.15Å; N354-L357 WeakPolarHBondContact OD1-CG 3.34Å; N354-L357 PolarHBondContact OD1-N 3.35Å; L357-Q359 PolarHBondContact O-N 3.45Å; L357-K360 PolarHBondContact O-N 3.48Å; L357-F361 WeakPolarHBondContact O-CB 3.44Å; L357-F361 PolarHBondContact O-N 3.39Å
358M97.1Very high93.1Very high0 Ų059.3 Ų59.30%027%0.273CS..Hα-helixtrans-64.2-39.8176.6-169.363.8-152.700112.3F57 M124 L128 N354 I355 F361 A362 M366 T373 V377F57-M358 HydrophobicContact CD2-CE 3.83Å; F57-M358 HydrophobicContact CE2-CE 4.14Å; M124-M358 HydrophobicContact CG-CE 3.88Å; M124-M358 HydrophobicContact CG-SD 3.94Å; M124-M358 HydrophobicContact SD-CE 3.94Å; L128-M358 HydrophobicContact CD2-CG 4.43Å; L128-M358 HydrophobicContact CD2-SD 4.14Å; L128-M358 HydrophobicContact CG-SD 4.41Å; N354-M358 VanDerWaalsContact O-CB 3.3Å; N354-M358 WeakPolarHBondContact O-CB 3.46Å; N354-M358 PolarHBondContact O-N 3.31Å; I355-M358 PolarHBondContact O-N 3.49Å; M358-F361 HydrophobicContact CE-CD1 4.2Å; M358-F361 PolarHBondContact O-N 3.16Å; M358-F361 HydrophobicContact SD-CD1 4.44Å; M358-A362 HydrophobicContact CE-CB 4.18Å; M358-A362 WeakPolarHBondContact O-CB 3.4Å; M358-A362 PolarHBondContact O-N 3.26Å; M358-M366 HydrophobicContact CE-CE 3.54Å; M358-T373 HydrophobicContact CB-CG2 4.35Å; M358-T373 HydrophobicContact CG-CG2 3.78Å; M358-V377 HydrophobicContact CB-CG2 4.1Å; M358-V377 HydrophobicContact CG-CG2 3.6Å
359Q96.9Very high93.5Very high4 Ų459.9 Ų59.92%0.01928%0.282CS..Hα-helixtrans-59.5-46.9173.9-78.2167.2-2.200112.1I355 L356 L357 C363 K370 T373 S374 H427I355-Q359 HydrophobicContact CG1-CG 4.4Å; I355-Q359 WeakPolarHBondContact O-CB 3.42Å; I355-Q359 WeakPolarHBondContact O-CG 3.48Å; I355-Q359 PolarHBondContact O-N 3.14Å; L356-Q359 PolarHBondContact O-N 2.73Å; L357-Q359 PolarHBondContact O-N 3.45Å; Q359-C363 WeakPolarHBondContact O-CB 3.42Å; Q359-C363 PolarHBondContact O-N 2.7Å; Q359-K370 HydrophobicContact CB-CG 4.36Å; Q359-K370 HydrophobicContact CG-CB 4.37Å; Q359-T373 HydrophobicContact CG-CG2 4.31Å; Q359-S374 PolarHBondContact NE2-OG 2.78Å; Q359-H427 PolarHBondContact NE2-O 3.46Å
360K97.1Very high94.1Very high119 Ų11956.6 Ų56.652%0.51727%0.268SS..Hα-helixtrans-62-49.2177.9-71.4176.2-178.2178.80110.6L356 L357 C363 E364L356-K360 WeakPolarHBondContact O-CG 3.4Å; L356-K360 PolarHBondContact O-N 3.13Å; L356-K360 VanDerWaalsContact O-N 3.12Å; L357-K360 PolarHBondContact O-N 3.48Å; K360-C363 PolarHBondContact O-N 2.93Å; K360-E364 WeakPolarHBondContact O-CB 3.41Å; K360-E364 PolarHBondContact O-N 3.16Å
361F97.1Very high94.5Very high6 Ų656.3 Ų56.33%0.02627%0.27CS..Hα-helixtrans-60.7-47.9179.4-178.9-91.4000112.4L53 E120 E123 M124 Y127 L357 M358 E364 K365L53-F361 HydrophobicContact CD1-CE1 3.97Å; L53-F361 HydrophobicContact CD1-CZ 3.9Å; L53-F361 HydrophobicContact CD2-CE1 4.27Å; L53-F361 HydrophobicContact CD2-CZ 4.02Å; E120-F361 WeakPolarHBondContact O-CZ 3.46Å; E123-F361 HydrophobicContact CB-CE2 4.34Å; E123-F361 HydrophobicContact CG-CD2 4.32Å; E123-F361 HydrophobicContact CG-CE2 4.22Å; M124-F361 HydrophobicContact CB-CD1 4.33Å; M124-F361 HydrophobicContact CB-CE1 3.68Å; M124-F361 HydrophobicContact CB-CZ 3.89Å; M124-F361 HydrophobicContact CG-CD1 4.38Å; M124-F361 HydrophobicContact CG-CE1 3.97Å; M124-F361 HydrophobicContact SD-CE1 4.1Å; Y127-F361 HydrophobicContact CD2-CB 3.84Å; Y127-F361 HydrophobicContact CD2-CD2 4.25Å; Y127-F361 HydrophobicContact CD2-CG 4.03Å; Y127-F361 HydrophobicContact CE2-CB 3.72Å; Y127-F361 AromaticContact CE2-CD2 3.75Å; Y127-F361 HydrophobicContact CE2-CD2 3.75Å; Y127-F361 AromaticContact CE2-CG 3.92Å; Y127-F361 HydrophobicContact CE2-CG 3.92Å; L357-F361 WeakPolarHBondContact O-CB 3.44Å; L357-F361 PolarHBondContact O-N 3.39Å; M358-F361 HydrophobicContact CE-CD1 4.2Å; M358-F361 PolarHBondContact O-N 3.16Å; M358-F361 HydrophobicContact SD-CD1 4.44Å; F361-E364 PolarHBondContact O-N 2.91Å; F361-K365 HydrophobicContact CD2-CG 4.01Å; F361-K365 HydrophobicContact CE1-CB 4.37Å; F361-K365 HydrophobicContact CE1-CG 4.42Å; F361-K365 HydrophobicContact CE2-CG 3.83Å; F361-K365 HydrophobicContact CG-CG 4.41Å; F361-K365 HydrophobicContact CZ-CB 4.34Å; F361-K365 HydrophobicContact CZ-CG 4.04Å; F361-K365 WeakPolarHBondContact O-CB 3.27Å; F361-K365 WeakPolarHBondContact O-CG 3.25Å; F361-K365 PolarHBondContact O-N 3.29Å
362A95.8Very high94.9Very high0 Ų053.1 Ų53.10%026%0.258CS..Hα-helixtrans-66.5-38.7-179.200000112.3M358 M366 E367 W368 T373M358-A362 HydrophobicContact CE-CB 4.18Å; M358-A362 WeakPolarHBondContact O-CB 3.4Å; M358-A362 PolarHBondContact O-N 3.26Å; A362-M366 HydrophobicContact CB-CE 3.48Å; A362-M366 VanDerWaalsContact CB-CE 3.48Å; A362-M366 CarbonylContact O-C 3.6Å; A362-M366 WeakPolarHBondContact O-CA 3.31Å; A362-M366 WeakPolarHBondContact O-CB 3.5Å; A362-M366 PolarHBondContact O-N 3.38Å; A362-E367 PolarHBondContact O-N 3.16Å; A362-W368 HydrophobicContact CB-CB 3.96Å; A362-W368 HydrophobicContact CB-CD2 4.45Å; A362-W368 HydrophobicContact CB-CE3 4.12Å; A362-W368 HydrophobicContact CB-CG 4.43Å; A362-W368 PolarHBondContact O-N 3.5Å; A362-W368 VanDerWaalsContact O-N 3.09Å; A362-T373 HydrophobicContact CB-CG2 3.85Å; A362-T373 VanDerWaalsContact CB-OG1 3.3Å; A362-T373 WeakPolarHBondContact CB-OG1 3.43Å
363C95Very high95.2Very high61 Ų6149.8 Ų49.841%0.41224%0.243SC..Hα-helixtrans-63.5-43.4175.3-173.50000111.4Q359 K360 W368Q359-C363 WeakPolarHBondContact O-CB 3.42Å; Q359-C363 PolarHBondContact O-N 2.7Å; K360-C363 PolarHBondContact O-N 2.93Å; C363-W368 WeakPolarHBondContact CA-O 3.3Å
364E95.1Very high95.3Very high138 Ų13849.5 Ų49.565%0.64524%0.24SC*.Hα-helixtrans-77.1-43.6-177.6-167.8-164.1144.800112.9K360 F361K360-E364 WeakPolarHBondContact O-CB 3.41Å; K360-E364 PolarHBondContact O-N 3.16Å; F361-E364 PolarHBondContact O-N 2.91Å
365K93.1Very high95.3Very high46 Ų4650.9 Ų50.920%0.225%0.245CC..Hα-helixtrans-98.5-28.2-169.4-55.5-53.6-169.2-166.40114.2K50 L53 F361K50-K365 HydrophobicContact CD-CB 4.48Å; K50-K365 WeakPolarHBondContact CD-O 3.21Å; L53-K365 HydrophobicContact CD1-CB 3.81Å; F361-K365 HydrophobicContact CD2-CG 4.01Å; F361-K365 HydrophobicContact CE1-CB 4.37Å; F361-K365 HydrophobicContact CE1-CG 4.42Å; F361-K365 HydrophobicContact CE2-CG 3.83Å; F361-K365 HydrophobicContact CG-CG 4.41Å; F361-K365 HydrophobicContact CZ-CB 4.34Å; F361-K365 HydrophobicContact CZ-CG 4.04Å; F361-K365 WeakPolarHBondContact O-CB 3.27Å; F361-K365 WeakPolarHBondContact O-CG 3.25Å; F361-K365 PolarHBondContact O-N 3.29Å
366M93.1Very high95.3Very high8 Ų853 Ų534%0.03925%0.254CS..SBendtrans-118.9-1.9-174.7-58.8-172.6-70.500113.2L53 M358 A362 W368L53-M366 HydrophobicContact CB-CG 3.95Å; L53-M366 HydrophobicContact CB-SD 3.63Å; L53-M366 HydrophobicContact CD1-CG 4.03Å; M358-M366 HydrophobicContact CE-CE 3.54Å; A362-M366 HydrophobicContact CB-CE 3.48Å; A362-M366 VanDerWaalsContact CB-CE 3.48Å; A362-M366 CarbonylContact O-C 3.6Å; A362-M366 WeakPolarHBondContact O-CA 3.31Å; A362-M366 WeakPolarHBondContact O-CB 3.5Å; A362-M366 PolarHBondContact O-N 3.38Å; M366-W368 HydrophobicContact CB-CD2 4.43Å; M366-W368 HydrophobicContact CB-CG 4.12Å; M366-W368 HydrophobicContact CE-CD2 4.06Å; M366-W368 HydrophobicContact CE-CE3 3.93Å; M366-W368 HydrophobicContact CE-CH2 4.4Å; M366-W368 HydrophobicContact CE-CZ3 4.11Å; M366-W368 PolarHBondContact O-N 2.99Å; M366-W368 HydrophobicContact SD-CZ2 4.37Å
367E93.5Very high95.3Very high137 Ų13750.6 Ų50.664%0.6424%0.241SC*.  trans57.428.4-177.3-58.9168.3163.800113T49 A362T49-E367 HydrophobicContact CG2-CG 4.28Å; T49-E367 PolarHBondContact OG1-OE2 3.32Å; A362-E367 PolarHBondContact O-N 3.16Å
368W94.3Very high95.2Very high27 Ų2747.8 Ų47.810%0.10223%0.226CC..  trans-79.9131.4177.1-73.68.5000110.7R54 F57 F58 A362 C363 M366 Y372R54-W368 HydrophobicContact CG-CZ2 4.06Å; F57-W368 HydrophobicContact CB-CH2 4.46Å; F57-W368 AromaticContact CD1-CH2 3.6Å; F57-W368 HydrophobicContact CD1-CH2 3.6Å; F57-W368 HydrophobicContact CD1-CZ3 4.01Å; F57-W368 HydrophobicContact CD2-CZ3 4.39Å; F57-W368 AromaticContact CE1-CH2 3.97Å; F57-W368 HydrophobicContact CE1-CH2 3.97Å; F57-W368 HydrophobicContact CE1-CZ3 4.02Å; F57-W368 HydrophobicContact CE2-CZ3 4.38Å; F57-W368 AromaticContact CG-CH2 3.95Å; F57-W368 HydrophobicContact CG-CH2 3.95Å; F57-W368 HydrophobicContact CG-CZ3 4.22Å; F57-W368 HydrophobicContact CZ-CZ3 4.22Å; F58-W368 AromaticContact CE2-CH2 3.83Å; F58-W368 HydrophobicContact CE2-CH2 3.83Å; F58-W368 AromaticContact CE2-CZ2 3.78Å; F58-W368 HydrophobicContact CE2-CZ2 3.78Å; F58-W368 AromaticContact CZ-CH2 3.85Å; F58-W368 HydrophobicContact CZ-CH2 3.85Å; F58-W368 HydrophobicContact CZ-CZ2 4.05Å; A362-W368 HydrophobicContact CB-CB 3.96Å; A362-W368 HydrophobicContact CB-CD2 4.45Å; A362-W368 HydrophobicContact CB-CE3 4.12Å; A362-W368 HydrophobicContact CB-CG 4.43Å; A362-W368 PolarHBondContact O-N 3.5Å; A362-W368 VanDerWaalsContact O-N 3.09Å; C363-W368 WeakPolarHBondContact CA-O 3.3Å; M366-W368 HydrophobicContact CB-CD2 4.43Å; M366-W368 HydrophobicContact CB-CG 4.12Å; M366-W368 HydrophobicContact CE-CD2 4.06Å; M366-W368 HydrophobicContact CE-CE3 3.93Å; M366-W368 HydrophobicContact CE-CH2 4.4Å; M366-W368 HydrophobicContact CE-CZ3 4.11Å; M366-W368 PolarHBondContact O-N 2.99Å; M366-W368 HydrophobicContact SD-CZ2 4.37Å; W368-Y372 HydrophobicContact CB-CD1 4.27Å; W368-Y372 AromaticContact CD2-CD1 3.73Å; W368-Y372 HydrophobicContact CD2-CD1 3.73Å; W368-Y372 AromaticContact CD2-CE1 3.71Å; W368-Y372 HydrophobicContact CD2-CE1 3.71Å; W368-Y372 AromaticContact CE2-CE1 3.85Å; W368-Y372 AromaticContact CE3-CD1 3.73Å; W368-Y372 HydrophobicContact CE3-CD1 3.73Å; W368-Y372 AromaticContact CE3-CE1 3.76Å; W368-Y372 HydrophobicContact CE3-CE1 3.76Å; W368-Y372 HydrophobicContact CG-CD1 4Å; W368-Y372 HydrophobicContact CG-CE1 4.3Å; W368-Y372 HydrophobicContact CH2-CE1 4.07Å; W368-Y372 HydrophobicContact CZ2-CE1 4.02Å; W368-Y372 HydrophobicContact CZ3-CD1 4.3Å; W368-Y372 AromaticContact CZ3-CE1 3.95Å; W368-Y372 HydrophobicContact CZ3-CE1 3.95Å
369P95.4Very high95.1Very high64 Ų6449.8 Ų49.842%0.41624%0.239SC..  trans-56.4145.1168.1-24.434.2000111.3H371 Y372 T373P369-H371 VanDerWaalsContact C-N 3.27Å; P369-H371 WeakPolarHBondContact CB-CE1 3.42Å; P369-H371 PolarHBondContact O-N 3.44Å; P369-Y372 WeakPolarHBondContact O-CB 3.36Å; P369-Y372 PolarHBondContact O-N 3.35Å; P369-Y372 VanDerWaalsContact O-N 3.13Å; P369-T373 PolarHBondContact O-N 3.43Å; P369-T373 VanDerWaalsContact O-N 3.08Å; P369-T373 PolarHBondContact O-OG1 3.26Å
370K94.9Very high95Very high106 Ų10649.7 Ų49.746%0.46124%0.238SC..Hα-helixtrans-58.8-38.4-178.8-66.9-177.2-178.1173.20112.4Q359 T373 S374 V429Q359-K370 HydrophobicContact CB-CG 4.36Å; Q359-K370 HydrophobicContact CG-CB 4.37Å; K370-T373 PolarHBondContact O-N 2.59Å; K370-S374 PolarHBondContact O-N 2.95Å; K370-S374 PolarHBondContact O-OG 2.99Å; K370-V429 HydrophobicContact CB-CB 4.13Å; K370-V429 HydrophobicContact CB-CG1 4.11Å; K370-V429 HydrophobicContact CB-CG2 4.12Å
371H93.9Very high94.9Very high64 Ų6444.2 Ų44.230%0.29622%0.215SC..Hα-helixtrans-65.3-40.1177.964.7-97.5000112.3P369 S374 E375 V429 P431P369-H371 VanDerWaalsContact C-N 3.27Å; P369-H371 WeakPolarHBondContact CB-CE1 3.42Å; P369-H371 PolarHBondContact O-N 3.44Å; H371-S374 WeakPolarHBondContact O-CB 3.43Å; H371-S374 PolarHBondContact O-N 2.78Å; H371-E375 PolarHBondContact O-N 3.26Å; H371-V429 WeakPolarHBondContact CA-O 3.36Å; H371-V429 HydrophobicContact CB-CG1 4.25Å; H371-V429 VanDerWaalsContact CB-O 3.3Å; H371-V429 WeakPolarHBondContact CB-O 3.26Å; H371-P431 HydrophobicContact CB-CG 4.19Å
372Y95.3Very high94.7Very high68 Ų6844 Ų4427%0.26721%0.213SC..Hα-helixtrans-62.4-46.4176.4-178.6-94.7000111W368 P369 S374 E375 K376W368-Y372 HydrophobicContact CB-CD1 4.27Å; W368-Y372 AromaticContact CD2-CD1 3.73Å; W368-Y372 HydrophobicContact CD2-CD1 3.73Å; W368-Y372 AromaticContact CD2-CE1 3.71Å; W368-Y372 HydrophobicContact CD2-CE1 3.71Å; W368-Y372 AromaticContact CE2-CE1 3.85Å; W368-Y372 AromaticContact CE3-CD1 3.73Å; W368-Y372 HydrophobicContact CE3-CD1 3.73Å; W368-Y372 AromaticContact CE3-CE1 3.76Å; W368-Y372 HydrophobicContact CE3-CE1 3.76Å; W368-Y372 HydrophobicContact CG-CD1 4Å; W368-Y372 HydrophobicContact CG-CE1 4.3Å; W368-Y372 HydrophobicContact CH2-CE1 4.07Å; W368-Y372 HydrophobicContact CZ2-CE1 4.02Å; W368-Y372 HydrophobicContact CZ3-CD1 4.3Å; W368-Y372 AromaticContact CZ3-CE1 3.95Å; W368-Y372 HydrophobicContact CZ3-CE1 3.95Å; P369-Y372 WeakPolarHBondContact O-CB 3.36Å; P369-Y372 PolarHBondContact O-N 3.35Å; P369-Y372 VanDerWaalsContact O-N 3.13Å; Y372-S374 VanDerWaalsContact C-N 3.28Å; Y372-S374 PolarHBondContact O-N 3.37Å; Y372-E375 PolarHBondContact O-N 3.14Å; Y372-K376 HydrophobicContact CD1-CG 4.24Å; Y372-K376 HydrophobicContact CE1-CG 3.84Å; Y372-K376 VanDerWaalsContact CZ-CE 3.47Å; Y372-K376 WeakPolarHBondContact O-CG 3.49Å; Y372-K376 PolarHBondContact O-N 3.02Å; Y372-K376 VanDerWaalsContact O-N 3.1Å; Y372-K376 WeakPolarHBondContact OH-CE 3.28Å
373T96Very high94.6Very high0 Ų044.9 Ų44.90%022%0.217CC..Hα-helixtrans-61.2-39.9176.2-54.10000111.4M358 Q359 A362 P369 K370 E375 K376 V377M358-T373 HydrophobicContact CB-CG2 4.35Å; M358-T373 HydrophobicContact CG-CG2 3.78Å; Q359-T373 HydrophobicContact CG-CG2 4.31Å; A362-T373 HydrophobicContact CB-CG2 3.85Å; A362-T373 VanDerWaalsContact CB-OG1 3.3Å; A362-T373 WeakPolarHBondContact CB-OG1 3.43Å; P369-T373 PolarHBondContact O-N 3.43Å; P369-T373 VanDerWaalsContact O-N 3.08Å; P369-T373 PolarHBondContact O-OG1 3.26Å; K370-T373 PolarHBondContact O-N 2.59Å; T373-E375 PolarHBondContact O-N 2.81Å; T373-K376 PolarHBondContact O-N 3.48Å; T373-V377 HydrophobicContact CG2-CG2 4.02Å; T373-V377 WeakPolarHBondContact O-CB 3.25Å; T373-V377 VanDerWaalsContact O-CG2 3.27Å; T373-V377 WeakPolarHBondContact O-CG2 3.3Å; T373-V377 PolarHBondContact O-N 3.31Å
374S95.1Very high94.4Very high0 Ų042.5 Ų42.50%020%0.2CC..Hα-helixtrans-59-47.4177.4-54.90000111.7Q359 K370 H371 Y372 K376 V377 L378 V429Q359-S374 PolarHBondContact NE2-OG 2.78Å; K370-S374 PolarHBondContact O-N 2.95Å; K370-S374 PolarHBondContact O-OG 2.99Å; H371-S374 WeakPolarHBondContact O-CB 3.43Å; H371-S374 PolarHBondContact O-N 2.78Å; Y372-S374 VanDerWaalsContact C-N 3.28Å; Y372-S374 PolarHBondContact O-N 3.37Å; S374-K376 PolarHBondContact O-N 3.25Å; S374-V377 PolarHBondContact O-N 3.21Å; S374-L378 VanDerWaalsContact O-CB 3.26Å; S374-L378 WeakPolarHBondContact O-CB 3.38Å; S374-L378 PolarHBondContact O-N 2.9Å; S374-V429 PolarHBondContact OG-N 3.1Å
375E94.6Very high94.2Very high100 Ų10036.4 Ų36.447%0.46717%0.172SC..Hα-helixtrans-60.4-43.9177-168.7-156.7126.100111.9H371 Y372 T373H371-E375 PolarHBondContact O-N 3.26Å; Y372-E375 PolarHBondContact O-N 3.14Å; T373-E375 PolarHBondContact O-N 2.81Å
376K95.9Very high94.1Very high50 Ų5034.2 Ų34.222%0.21716%0.163CC..Hα-helixtrans-74.6-28.4-177.9-58.9-46.3175.9-157.30114F57 Y372 T373 S374 V379F57-K376 HydrophobicContact CE1-CB 3.71Å; F57-K376 HydrophobicContact CE1-CG 4.4Å; F57-K376 HydrophobicContact CZ-CB 3.54Å; Y372-K376 HydrophobicContact CD1-CG 4.24Å; Y372-K376 HydrophobicContact CE1-CG 3.84Å; Y372-K376 VanDerWaalsContact CZ-CE 3.47Å; Y372-K376 WeakPolarHBondContact O-CG 3.49Å; Y372-K376 PolarHBondContact O-N 3.02Å; Y372-K376 VanDerWaalsContact O-N 3.1Å; Y372-K376 WeakPolarHBondContact OH-CE 3.28Å; T373-K376 PolarHBondContact O-N 3.48Å; S374-K376 PolarHBondContact O-N 3.25Å; K376-V379 VanDerWaalsContact O-CG2 3.28Å; K376-V379 WeakPolarHBondContact O-CG2 3.38Å
377V95.9Very high94Very high0 Ų035.2 Ų35.20%017%0.168CC..Hα-helixtrans-82.3-31.6176175.90000111.2F57 P353 I355 M358 T373 S374 V379 L380 M381F57-V377 HydrophobicContact CE2-CG2 4.27Å; P353-V377 HydrophobicContact CB-CG1 3.9Å; I355-V377 HydrophobicContact CB-CG1 4.3Å; I355-V377 HydrophobicContact CG1-CB 4.49Å; I355-V377 HydrophobicContact CG1-CG1 4.37Å; M358-V377 HydrophobicContact CB-CG2 4.1Å; M358-V377 HydrophobicContact CG-CG2 3.6Å; T373-V377 HydrophobicContact CG2-CG2 4.02Å; T373-V377 WeakPolarHBondContact O-CB 3.25Å; T373-V377 VanDerWaalsContact O-CG2 3.27Å; T373-V377 WeakPolarHBondContact O-CG2 3.3Å; T373-V377 PolarHBondContact O-N 3.31Å; S374-V377 PolarHBondContact O-N 3.21Å; V377-V379 VanDerWaalsContact C-N 3.3Å; V377-V379 PolarHBondContact O-N 3.05Å; V377-L380 WeakPolarHBondContact O-CA 3.43Å; V377-L380 WeakPolarHBondContact O-CB 3.26Å; V377-L380 PolarHBondContact O-N 3.25Å; V377-M381 HydrophobicContact CG1-CG 4.01Å; V377-M381 HydrophobicContact CG1-SD 4.04Å; V377-M381 PolarHBondContact O-N 3.23Å
378L94.9Very high93.9Very high5 Ų530 Ų303%0.02614%0.144CC..Hα-helixtrans-52.5-45.7-179.8178.667000112.4S374 L380 M381 T382 I399 P425 F428 V442 T444S374-L378 VanDerWaalsContact O-CB 3.26Å; S374-L378 WeakPolarHBondContact O-CB 3.38Å; S374-L378 PolarHBondContact O-N 2.9Å; L378-L380 PolarHBondContact O-N 3.05Å; L378-M381 PolarHBondContact O-N 2.94Å; L378-T382 HydrophobicContact CD1-CG2 4.22Å; L378-T382 HydrophobicContact CG-CG2 4.41Å; L378-T382 PolarHBondContact O-N 2.94Å; L378-T382 PolarHBondContact O-OG1 3.48Å; L378-I399 HydrophobicContact CD1-CD1 4.14Å; L378-P425 HydrophobicContact CD1-CG 4.01Å; L378-F428 HydrophobicContact CB-CE2 4.15Å; L378-F428 HydrophobicContact CD2-CE2 3.99Å; L378-F428 HydrophobicContact CG-CE2 4.46Å; L378-V442 HydrophobicContact CD1-CG2 3.91Å; L378-V442 HydrophobicContact CD2-CB 3.68Å; L378-V442 HydrophobicContact CD2-CG1 4.47Å; L378-V442 HydrophobicContact CD2-CG2 3.7Å; L378-V442 HydrophobicContact CG-CG2 4.45Å; L378-T444 HydrophobicContact CD2-CG2 3.75Å; L378-T444 HydrophobicContact CG-CG2 3.79Å
379V94.8Very high93.6Very high43 Ų4332.5 Ų32.526%0.26115%0.153SC..Hα-helixtrans-61.8-27.9179-61.20000113.2L65 K376 V377 T382 Y383 T444L65-V379 HydrophobicContact CD1-CG2 4.24Å; K376-V379 VanDerWaalsContact O-CG2 3.28Å; K376-V379 WeakPolarHBondContact O-CG2 3.38Å; V377-V379 VanDerWaalsContact C-N 3.3Å; V377-V379 PolarHBondContact O-N 3.05Å; V379-T382 PolarHBondContact O-OG1 2.73Å; V379-Y383 VanDerWaalsContact O-CB 3.25Å; V379-Y383 WeakPolarHBondContact O-CB 3.18Å; V379-Y383 PolarHBondContact O-N 3.04Å; V379-T444 HydrophobicContact CG1-CG2 4.14Å
380L95Very high93.4Very high2 Ų234.2 Ų34.21%0.0115%0.154CC..Hα-helixtrans-80.7-33.4175.4-58.3178.8000111.5T64 L65 L128 P353 V377 L378 T384T64-L380 HydrophobicContact CG2-CD2 4.05Å; L65-L380 HydrophobicContact CD2-CD2 4.46Å; L65-L380 HydrophobicContact CG-CD2 4.28Å; L128-L380 HydrophobicContact CD2-CD1 3.97Å; P353-L380 HydrophobicContact CG-CB 3.99Å; V377-L380 WeakPolarHBondContact O-CA 3.43Å; V377-L380 WeakPolarHBondContact O-CB 3.26Å; V377-L380 PolarHBondContact O-N 3.25Å; L378-L380 PolarHBondContact O-N 3.05Å; L380-T384 WeakPolarHBondContact O-CB 3.3Å; L380-T384 PolarHBondContact O-N 3.44Å; L380-T384 PolarHBondContact O-OG1 3.32Å
381M93.6Very high93.1Very high4 Ų434.8 Ų34.82%0.0215%0.154CC..Hα-helixtrans-68.9-46.9176-62.4175.775.200111.2P353 I355 V377 L378 T384 E385 I399 P425P353-M381 HydrophobicContact CB-CG 4.03Å; P353-M381 HydrophobicContact CG-CG 4.2Å; I355-M381 HydrophobicContact CB-SD 4.03Å; I355-M381 HydrophobicContact CD1-SD 4.3Å; V377-M381 HydrophobicContact CG1-CG 4.01Å; V377-M381 HydrophobicContact CG1-SD 4.04Å; V377-M381 PolarHBondContact O-N 3.23Å; L378-M381 PolarHBondContact O-N 2.94Å; M381-T384 PolarHBondContact O-N 2.91Å; M381-E385 PolarHBondContact O-N 3.18Å; M381-I399 HydrophobicContact CB-CD1 3.48Å; M381-I399 VanDerWaalsContact CB-CD1 3.48Å; M381-I399 HydrophobicContact CE-CD1 3.78Å; M381-I399 HydrophobicContact CG-CD1 4.41Å; M381-I399 HydrophobicContact SD-CD1 4.17Å; M381-P425 HydrophobicContact CE-CB 4.34Å
382T93.1Very high92.6Very high0 Ų035 Ų350%017%0.173CC..Hα-helixtrans-61.7-45.1176.456.30000110.9L378 V379 T384 E385 L386 I399 W422 T444 E446L378-T382 HydrophobicContact CD1-CG2 4.22Å; L378-T382 HydrophobicContact CG-CG2 4.41Å; L378-T382 PolarHBondContact O-N 2.94Å; L378-T382 PolarHBondContact O-OG1 3.48Å; V379-T382 PolarHBondContact O-OG1 2.73Å; T382-T384 VanDerWaalsContact C-N 3.33Å; T382-T384 PolarHBondContact O-N 2.92Å; T382-E385 WeakPolarHBondContact O-CB 3.43Å; T382-E385 PolarHBondContact O-N 2.84Å; T382-L386 VanDerWaalsContact O-CG 3.31Å; T382-L386 WeakPolarHBondContact O-CG 3.16Å; T382-L386 PolarHBondContact O-N 3.19Å; T382-I399 HydrophobicContact CG2-CG2 4.1Å; T382-W422 HydrophobicContact CG2-CD2 3.85Å; T382-W422 VanDerWaalsContact CG2-CE2 3.47Å; T382-W422 HydrophobicContact CG2-CE3 4.39Å; T382-W422 HydrophobicContact CG2-CG 4.24Å; T382-W422 HydrophobicContact CG2-CH2 4.21Å; T382-W422 HydrophobicContact CG2-CZ2 3.67Å; T382-T444 HydrophobicContact CG2-CG2 3.92Å; T382-E446 WeakPolarHBondContact CB-OE1 3.44Å; T382-E446 PolarHBondContact OG1-OE1 3.22Å
383Y93.4Very high92Very high20 Ų2038.1 Ų38.18%0.07819%0.185CC..Hα-helixtrans-59.5-41.8174.5178.7-98.7000112.9T64 L65 G67 V379 E385 L386 M387 L450T64-Y383 HydrophobicContact CG2-CD1 3.54Å; T64-Y383 HydrophobicContact CG2-CE1 3.57Å; T64-Y383 VanDerWaalsContact O-CE1 3.27Å; T64-Y383 WeakPolarHBondContact O-CE1 3.46Å; T64-Y383 PolarHBondContact O-OH 2.93Å; L65-Y383 HydrophobicContact CD2-CD2 4.24Å; L65-Y383 HydrophobicContact CD2-CG 4.05Å; G67-Y383 WeakPolarHBondContact CA-OH 3.14Å; V379-Y383 VanDerWaalsContact O-CB 3.25Å; V379-Y383 WeakPolarHBondContact O-CB 3.18Å; V379-Y383 PolarHBondContact O-N 3.04Å; Y383-E385 VanDerWaalsContact C-N 3.32Å; Y383-E385 PolarHBondContact O-N 3.43Å; Y383-L386 PolarHBondContact O-N 3.47Å; Y383-M387 HydrophobicContact CD1-CG 4.24Å; Y383-M387 HydrophobicContact CD2-CG 4.41Å; Y383-M387 HydrophobicContact CE1-CG 3.76Å; Y383-M387 HydrophobicContact CE2-CG 3.93Å; Y383-M387 HydrophobicContact CE2-SD 4.34Å; Y383-M387 WeakPolarHBondContact O-CB 3.38Å; Y383-M387 VanDerWaalsContact O-CG 3.3Å; Y383-M387 WeakPolarHBondContact O-CG 3.27Å; Y383-M387 PolarHBondContact O-N 2.88Å; Y383-L450 HydrophobicContact CD2-CD2 3.98Å; Y383-L450 HydrophobicContact CE2-CD2 3.83Å
384T91.6Very high90.6Very high10 Ų1046 Ų466%0.06123%0.227CC..Hα-helixtrans-62.6-41177-600000111.3L380 M381 T382 M387 N388L380-T384 WeakPolarHBondContact O-CB 3.3Å; L380-T384 PolarHBondContact O-N 3.44Å; L380-T384 PolarHBondContact O-OG1 3.32Å; M381-T384 PolarHBondContact O-N 2.91Å; T382-T384 VanDerWaalsContact C-N 3.33Å; T382-T384 PolarHBondContact O-N 2.92Å; T384-M387 PolarHBondContact O-N 3.12Å; T384-N388 WeakPolarHBondContact O-CB 3.3Å; T384-N388 VanDerWaalsContact O-CG 3.26Å; T384-N388 PolarHBondContact O-N 3.44Å; T384-N388 PolarHBondContact O-ND2 2.82Å
385E90.9Very high89.6Confident11 Ų1149.4 Ų49.45%0.05125%0.247CC..Hα-helixtrans-62.1-50175.4176.557.8-160.100111.9M381 T382 Y383 M387 N388 R389 S397 F455M381-E385 PolarHBondContact O-N 3.18Å; T382-E385 WeakPolarHBondContact O-CB 3.43Å; T382-E385 PolarHBondContact O-N 2.84Å; Y383-E385 VanDerWaalsContact C-N 3.32Å; Y383-E385 PolarHBondContact O-N 3.43Å; E385-M387 PolarHBondContact O-N 3.46Å; E385-N388 PolarHBondContact O-N 2.99Å; E385-N388 VanDerWaalsContact O-N 3.14Å; E385-R389 PolarHBondContact O-N 3.48Å; E385-R389 WeakPolarHBondContact OE1-CG 3.4Å; E385-R389 IonicContact OE1-CZ 3.1Å; E385-R389 IonicContact OE1-NE 3.84Å; E385-R389 PolarHBondContact OE1-NE 3.03Å; E385-R389 IonicContact OE1-NH2 3.72Å; E385-S397 VanDerWaalsContact CD-CB 3.42Å; E385-S397 WeakPolarHBondContact OE2-CB 3.35Å; E385-S397 PolarHBondContact OE2-OG 3.38Å; E385-F455 HydrophobicContact CG-CZ 4.19Å
386L91.4Very high88.4Confident0 Ų050.2 Ų50.20%026%0.261CS..Hα-helixtrans-55.8-42.4177.5-68.5174.2000111.6T382 Y383 K390 W422 E446 L450 F451 A454 F455T382-L386 VanDerWaalsContact O-CG 3.31Å; T382-L386 WeakPolarHBondContact O-CG 3.16Å; T382-L386 PolarHBondContact O-N 3.19Å; Y383-L386 PolarHBondContact O-N 3.47Å; L386-K390 WeakPolarHBondContact O-CB 3.47Å; L386-K390 PolarHBondContact O-N 2.84Å; L386-W422 HydrophobicContact CD2-CH2 4.29Å; L386-W422 HydrophobicContact CG-CH2 4.46Å; L386-E446 HydrophobicContact CD1-CB 4.06Å; L386-E446 HydrophobicContact CD1-CG 3.94Å; L386-L450 HydrophobicContact CB-CD1 4.4Å; L386-L450 HydrophobicContact CB-CD2 3.93Å; L386-L450 HydrophobicContact CB-CG 3.93Å; L386-L450 HydrophobicContact CD1-CD2 4.02Å; L386-L450 HydrophobicContact CD1-CG 4.23Å; L386-F451 HydrophobicContact CD2-CD2 3.77Å; L386-F451 HydrophobicContact CD2-CE2 4.39Å; L386-A454 HydrophobicContact CB-CB 4.26Å; L386-A454 HydrophobicContact CD2-CB 3.41Å; L386-A454 VanDerWaalsContact CD2-CB 3.41Å; L386-A454 HydrophobicContact CG-CB 4.45Å; L386-F455 HydrophobicContact CD2-CD2 3.82Å; L386-F455 HydrophobicContact CD2-CE2 3.7Å
387M91.3Very high87.1Confident29 Ų2949 Ų4914%0.14326%0.259CS..Hα-helixtrans-70.8-39.5178.1-70.3-64.3-8700112.7Y383 T384 E385 R389 K390 Y391 L450Y383-M387 HydrophobicContact CD1-CG 4.24Å; Y383-M387 HydrophobicContact CD2-CG 4.41Å; Y383-M387 HydrophobicContact CE1-CG 3.76Å; Y383-M387 HydrophobicContact CE2-CG 3.93Å; Y383-M387 HydrophobicContact CE2-SD 4.34Å; Y383-M387 WeakPolarHBondContact O-CB 3.38Å; Y383-M387 VanDerWaalsContact O-CG 3.3Å; Y383-M387 WeakPolarHBondContact O-CG 3.27Å; Y383-M387 PolarHBondContact O-N 2.88Å; T384-M387 PolarHBondContact O-N 3.12Å; E385-M387 PolarHBondContact O-N 3.46Å; M387-R389 VanDerWaalsContact C-N 3.32Å; M387-R389 PolarHBondContact O-N 3.43Å; M387-K390 PolarHBondContact O-N 3.34Å; M387-K390 HydrophobicContact SD-CD 4.18Å; M387-Y391 HydrophobicContact CE-CE2 3.58Å; M387-Y391 WeakPolarHBondContact O-CD2 3.15Å; M387-Y391 PolarHBondContact O-N 2.98Å; M387-Y391 VanDerWaalsContact O-N 3.12Å; M387-Y391 HydrophobicContact SD-CE2 4.28Å; M387-L450 HydrophobicContact SD-CD1 3.93Å; M387-L450 HydrophobicContact SD-CD2 4.36Å
388N90.1Very high86Confident26 Ų2652.8 Ų52.814%0.13928%0.277CS..Hα-helixtrans-58.6-46.5175.1-76.9-20.7000111T384 E385 Y391 G392 R393T384-N388 WeakPolarHBondContact O-CB 3.3Å; T384-N388 VanDerWaalsContact O-CG 3.26Å; T384-N388 PolarHBondContact O-N 3.44Å; T384-N388 PolarHBondContact O-ND2 2.82Å; E385-N388 PolarHBondContact O-N 2.99Å; E385-N388 VanDerWaalsContact O-N 3.14Å; N388-Y391 CarbonylContact O-C 3.59Å; N388-Y391 PolarHBondContact O-N 2.98Å; N388-G392 PolarHBondContact O-N 3.48Å; N388-G392 VanDerWaalsContact O-N 3.13Å; N388-R393 HydrophobicContact CB-CB 4.22Å; N388-R393 PolarHBondContact O-N 3.32Å
389R89.3Confident85.4Confident80 Ų8052.6 Ų52.630%0.30228%0.276SS..Hα-helixtrans-65.3-44.5176.7-69.4-163.7173.5-140.6-2.8113.2E385 M387 Y391 G392 M400 A454 F455 E457E385-R389 PolarHBondContact O-N 3.48Å; E385-R389 WeakPolarHBondContact OE1-CG 3.4Å; E385-R389 IonicContact OE1-CZ 3.1Å; E385-R389 IonicContact OE1-NE 3.84Å; E385-R389 PolarHBondContact OE1-NE 3.03Å; E385-R389 IonicContact OE1-NH2 3.72Å; M387-R389 VanDerWaalsContact C-N 3.32Å; M387-R389 PolarHBondContact O-N 3.43Å; R389-Y391 PolarHBondContact O-N 3.09Å; R389-Y391 VanDerWaalsContact O-N 3.16Å; R389-G392 PolarHBondContact O-N 2.98Å; R389-M400 VanDerWaalsContact NH2-CE 3.34Å; R389-M400 PolarHBondContact NH2-SD 3.42Å; R389-A454 HydrophobicContact CB-CB 3.97Å; R389-A454 WeakPolarHBondContact CD-O 3.3Å; R389-F455 VanDerWaalsContact NH1-CD1 3.26Å; R389-E457 IonicContact NH1-OE1 2.8Å
390K89.8Confident84.9Confident101 Ų10154 Ų5444%0.43928%0.28SS..Hα-helixtrans-54.2-35.2175.3174.8172.8177.4175.80112.7L386 M387 L450 V453L386-K390 WeakPolarHBondContact O-CB 3.47Å; L386-K390 PolarHBondContact O-N 2.84Å; M387-K390 PolarHBondContact O-N 3.34Å; M387-K390 HydrophobicContact SD-CD 4.18Å; K390-L450 HydrophobicContact CB-CD1 4.32Å; K390-L450 HydrophobicContact CD-CD1 3.6Å; K390-V453 HydrophobicContact CB-CG1 4.19Å; K390-V453 HydrophobicContact CG-CG1 4.02Å
391Y88.4Confident84.4Confident118 Ų11854.4 Ų54.446%0.46328%0.283SS..THydrogen-bonded Turntrans-97.710178.3-64.3-63.2000114.2M387 N388 R389 R393M387-Y391 HydrophobicContact CE-CE2 3.58Å; M387-Y391 WeakPolarHBondContact O-CD2 3.15Å; M387-Y391 PolarHBondContact O-N 2.98Å; M387-Y391 VanDerWaalsContact O-N 3.12Å; M387-Y391 HydrophobicContact SD-CE2 4.28Å; N388-Y391 CarbonylContact O-C 3.59Å; N388-Y391 PolarHBondContact O-N 2.98Å; R389-Y391 PolarHBondContact O-N 3.09Å; R389-Y391 VanDerWaalsContact O-N 3.16Å; Y391-R393 VanDerWaalsContact C-N 3.28Å; Y391-R393 PolarHBondContact O-N 3.37Å
392G83.9Confident83.9Confident67 Ų6756.8 Ų56.869%0.69130%0.295SS*.THydrogen-bonded Turntrans62.330.9178.200000114.3N388 R389 D394N388-G392 PolarHBondContact O-N 3.48Å; N388-G392 VanDerWaalsContact O-N 3.13Å; R389-G392 PolarHBondContact O-N 2.98Å; G392-D394 PolarHBondContact O-N 3.3Å
393R82.9Confident82.5Confident134 Ų13465.4 Ų65.451%0.50633%0.328SS..  trans-82.7113.2176.8-63-175.9-178.9-162.9-1.1109.4N388 Y391 V395N388-R393 HydrophobicContact CB-CB 4.22Å; N388-R393 PolarHBondContact O-N 3.32Å; Y391-R393 VanDerWaalsContact C-N 3.28Å; Y391-R393 PolarHBondContact O-N 3.37Å; R393-V395 HydrophobicContact CB-CG2 4.19Å; R393-V395 PolarHBondContact O-N 3.46Å
394D66.3Low80.8Confident167 Ų16774 Ų7489%0.89337%0.366SS*.  trans-79.185.8178-160.76.1000110.1G392G392-D394 PolarHBondContact O-N 3.3Å
395V73.8Confident79.3Confident70 Ų7081.6 Ų81.642%0.42439%0.393SS..  trans-121.2128.2177.6-169.20000108R393 S397R393-V395 HydrophobicContact CB-CG2 4.19Å; R393-V395 PolarHBondContact O-N 3.46Å; V395-S397 PolarHBondContact O-N 3.35Å; V395-S397 VanDerWaalsContact O-N 3.15Å
396P69.4Low77.8Confident117 Ų11781.9 Ų81.976%0.7640%0.395SS*.  trans-56.3121.4175-23.532.6000110.5
397S70.4Confident76.5Confident24 Ų2482.4 Ų82.417%0.16840%0.398CS..  trans-106.4132.7-179-163.40000111.9E385 V395 I399E385-S397 VanDerWaalsContact CD-CB 3.42Å; E385-S397 WeakPolarHBondContact OE2-CB 3.35Å; E385-S397 PolarHBondContact OE2-OG 3.38Å; V395-S397 PolarHBondContact O-N 3.35Å; V395-S397 VanDerWaalsContact O-N 3.15Å; S397-I399 PolarHBondContact OG-N 2.67Å; S397-I399 PolarHBondContact OG-O 3.44Å
398Q71.9Confident75.9Confident81 Ų8186.8 Ų86.838%0.37942%0.416SS..SBendtrans-77.1-15.4172.6-61.8-174-21.400112.1N423 E426Q398-N423 PolarHBondContact O-ND2 3.43Å; Q398-N423 PolarHBondContact O-OD1 2.84Å; Q398-E426 PolarHBondContact NE2-OE2 3.3Å; Q398-E426 VanDerWaalsContact NE2-OE2 3.07Å
399I82.4Confident75.6Confident0 Ų089.6 Ų89.60%044%0.436CS..  trans-115.1114-171.4-64.1178.2000109.6L378 M381 T382 S397 W422 N423 P425L378-I399 HydrophobicContact CD1-CD1 4.14Å; M381-I399 HydrophobicContact CB-CD1 3.48Å; M381-I399 VanDerWaalsContact CB-CD1 3.48Å; M381-I399 HydrophobicContact CE-CD1 3.78Å; M381-I399 HydrophobicContact CG-CD1 4.41Å; M381-I399 HydrophobicContact SD-CD1 4.17Å; T382-I399 HydrophobicContact CG2-CG2 4.1Å; S397-I399 PolarHBondContact OG-N 2.67Å; S397-I399 PolarHBondContact OG-O 3.44Å; I399-W422 HydrophobicContact CG2-CB 4.11Å; I399-W422 HydrophobicContact CG2-CD2 3.8Å; I399-W422 HydrophobicContact CG2-CE3 3.29Å; I399-W422 HydrophobicContact CG2-CG 4.16Å; I399-W422 HydrophobicContact CG2-CZ3 3.88Å; I399-N423 WeakPolarHBondContact CA-OD1 3.35Å; I399-P425 HydrophobicContact CD1-CB 4.06Å; I399-P425 HydrophobicContact CD1-CG 4.09Å; I399-P425 HydrophobicContact CG1-CB 3.77Å; I399-P425 HydrophobicContact CG1-CG 4.16Å
400M84.3Confident75.5Confident73 Ų7391 Ų9136%0.3644%0.441SS..  trans-127.7135.8177.7-67.8-66.5-17800110.5R389 N423 F455R389-M400 VanDerWaalsContact NH2-CE 3.34Å; R389-M400 PolarHBondContact NH2-SD 3.42Å; M400-N423 PolarHBondContact N-OD1 2.76Å; M400-N423 PolarHBondContact O-N 3.41Å; M400-N423 PolarHBondContact O-OD1 3.02Å; M400-N423 VanDerWaalsContact O-OD1 3.1Å; M400-F455 HydrophobicContact SD-CE1 4.37Å
401P84.5Confident75.3Confident11 Ų1191.6 Ų91.67%0.07145%0.453CS..BIsolated β-bridgetrans-66.8139171.828-34.7000111R403 I406 V420 W422 F451 F455 I458P401-R403 PolarHBondContact O-N 2.8Å; P401-I406 HydrophobicContact CB-CD1 3.77Å; P401-V420 HydrophobicContact CB-CG1 4.14Å; P401-W422 HydrophobicContact CB-CE3 4.11Å; P401-W422 HydrophobicContact CB-CZ3 4.27Å; P401-W422 HydrophobicContact CG-CE3 4.45Å; P401-W422 HydrophobicContact CG-CZ3 4.26Å; P401-F451 HydrophobicContact CB-CZ 4.27Å; P401-F451 HydrophobicContact CG-CZ 4.49Å; P401-F455 VanDerWaalsContact CD-CZ 3.42Å; P401-F455 HydrophobicContact CG-CD1 3.58Å; P401-F455 HydrophobicContact CG-CD2 4.19Å; P401-F455 HydrophobicContact CG-CE1 3.46Å; P401-F455 VanDerWaalsContact CG-CE1 3.46Å; P401-F455 HydrophobicContact CG-CE2 4.12Å; P401-F455 HydrophobicContact CG-CG 3.94Å; P401-F455 HydrophobicContact CG-CZ 3.77Å; P401-I458 HydrophobicContact CB-CD1 3.77Å; P401-I458 HydrophobicContact CG-CD1 3.15Å
402I83Confident74.9Confident54 Ų5491.1 Ų91.128%0.27745%0.451SS..  trans-78.9105.3179.8-59.9174.3000111.1K404 R405 I406 I421 E441I402-K404 PolarHBondContact O-N 2.84Å; I402-R405 PolarHBondContact O-N 2.95Å; I402-I406 HydrophobicContact CB-CD1 4.4Å; I402-I406 VanDerWaalsContact N-CD1 3.34Å; I402-I406 WeakPolarHBondContact O-CD1 3.47Å; I402-I406 VanDerWaalsContact O-CG1 3.23Å; I402-I406 WeakPolarHBondContact O-CG1 3.45Å; I402-I421 HydrophobicContact CD1-CG2 4.17Å; I402-I421 PolarHBondContact N-O 3.32Å; I402-I421 VanDerWaalsContact N-O 3.13Å; I402-E441 HydrophobicContact CD1-CB 4.33Å
403R62.6Low74.6Confident181 Ų18195.3 Ų95.368%0.68346%0.457SS*.THydrogen-bonded Turntrans-50.6-4.4-173.5-90.4-176.3178170.5-0.2119.6P401 I458P401-R403 PolarHBondContact O-N 2.8Å; R403-I458 HydrophobicContact CG-CD1 4.3Å; R403-I458 HydrophobicContact CG-CG1 4.21Å
404K59.2Low74.5Confident201 Ų20193.6 Ų93.687%0.87447%0.472SS*.THydrogen-bonded Turntrans-130.57.1-173.6-70.2-170.4177.1-176.20115.7I402I402-K404 PolarHBondContact O-N 2.84Å
405R58.8Low75.4Confident168 Ų16888.6 Ų88.663%0.63445%0.447SS*.SBendtrans-131.611.3-171.6-73.9-168.9169.7-172.5-1.6115.4I402 I421 E441I402-R405 PolarHBondContact O-N 2.95Å; R405-I421 HydrophobicContact CB-CD1 4.2Å; R405-E441 IonicContact CZ-OE2 3.41Å; R405-E441 IonicContact NH1-OE2 3.93Å; R405-E441 PolarHBondContact NH1-OE2 3Å
406I60.6Low76.2Confident18 Ų1887.6 Ų87.69%0.09245%0.446CS..  trans-123.2132.4-157.2-49.5177.5000114P401 I402 V420 I421 Y462P401-I406 HydrophobicContact CB-CD1 3.77Å; I402-I406 HydrophobicContact CB-CD1 4.4Å; I402-I406 VanDerWaalsContact N-CD1 3.34Å; I402-I406 WeakPolarHBondContact O-CD1 3.47Å; I402-I406 VanDerWaalsContact O-CG1 3.23Å; I402-I406 WeakPolarHBondContact O-CG1 3.45Å; I406-V420 HydrophobicContact CD1-CG1 4.18Å; I406-V420 HydrophobicContact CG2-CB 4.25Å; I406-V420 HydrophobicContact CG2-CG1 4.05Å; I406-V420 HydrophobicContact CG2-CG2 4.43Å; I406-I421 HydrophobicContact CD1-CB 4.35Å; I406-I421 WeakPolarHBondContact CD1-O 3.35Å; I406-I421 HydrophobicContact CG1-CB 4.04Å; I406-I421 HydrophobicContact CG1-CG1 4.42Å; I406-Y462 WeakPolarHBondContact O-CD2 3.3Å
407L63.8Low77.3Confident11 Ų1182 Ų826%0.05841%0.41CS..  trans134.993.1140-62.2173.3000107.7F418 V420 F451 V459 Y462L407-F418 HydrophobicContact CB-CD1 3.97Å; L407-F418 HydrophobicContact CB-CE1 4.33Å; L407-F418 HydrophobicContact CB-CG 4.49Å; L407-F418 HydrophobicContact CD1-CD1 4.35Å; L407-F418 HydrophobicContact CD1-CE1 4.24Å; L407-F418 HydrophobicContact CD1-CE2 4.37Å; L407-F418 HydrophobicContact CD1-CZ 4.25Å; L407-F418 HydrophobicContact CD2-CB 3.41Å; L407-F418 VanDerWaalsContact CD2-CB 3.41Å; L407-F418 HydrophobicContact CD2-CD1 3.77Å; L407-F418 HydrophobicContact CD2-CD2 3.75Å; L407-F418 HydrophobicContact CD2-CE1 4.44Å; L407-F418 HydrophobicContact CD2-CE2 4.39Å; L407-F418 HydrophobicContact CD2-CG 3.4Å; L407-F418 HydrophobicContact CG-CD1 4.22Å; L407-F418 HydrophobicContact CG-CG 4.31Å; L407-V420 HydrophobicContact CD2-CG2 4.27Å; L407-F451 HydrophobicContact CD2-CD1 4.24Å; L407-F451 HydrophobicContact CD2-CE1 3.93Å; L407-V459 HydrophobicContact CD1-CG1 4.45Å; L407-V459 HydrophobicContact CD1-CG2 4.28Å; L407-Y462 HydrophobicContact CB-CD1 4.34Å; L407-Y462 HydrophobicContact CB-CD2 3.74Å; L407-Y462 HydrophobicContact CB-CE1 4.23Å; L407-Y462 HydrophobicContact CB-CE2 3.6Å; L407-Y462 HydrophobicContact CB-CG 4.09Å; L407-Y462 HydrophobicContact CD1-CD1 3.93Å; L407-Y462 HydrophobicContact CD1-CD2 4.14Å; L407-Y462 HydrophobicContact CD1-CG 3.69Å; L407-Y462 HydrophobicContact CG-CD2 4.29Å; L407-Y462 HydrophobicContact CG-CG 4.34Å; L407-Y462 WeakPolarHBondContact O-CE2 3.41Å; L407-Y462 VanDerWaalsContact O-CZ 3.22Å; L407-Y462 PolarHBondContact O-OH 3.18Å
408K78.7Confident78.2Confident120 Ų12081.1 Ų81.152%0.52240%0.403SS..EExtended strand (participates in β ladder)trans-89.8120.8160.2-68.6-176.8-177.8176.20106.9R410 E419K408-R410 PolarHBondContact O-N 3.15Å; K408-E419 HydrophobicContact CB-CB 4.13Å; K408-E419 PolarHBondContact O-N 3.34Å
409P83.4Confident79.1Confident86 Ų8679 Ų7956%0.55839%0.393SS*.EExtended strand (participates in β ladder)trans-61.4134.9172.724.8-32.1000109.2
410R86.8Confident79.5Confident108 Ų10879 Ų7941%0.40839%0.393SS..EExtended strand (participates in β ladder)trans-133.1158.2178.4-64-64.2178-134.69.4108.6K408 C417 E419 V445K408-R410 PolarHBondContact O-N 3.15Å; R410-C417 HydrophobicContact CB-CB 4.26Å; R410-C417 PolarHBondContact N-O 2.65Å; R410-C417 PolarHBondContact O-N 2.56Å; R410-C417 VanDerWaalsContact O-O 3.08Å; R410-E419 HydrophobicContact CG-CB 4.15Å; R410-E419 IonicContact CZ-OE2 2.68Å; R410-E419 VanDerWaalsContact CZ-OE2 3.29Å; R410-E419 IonicContact NE-OE2 3.33Å; R410-E419 PolarHBondContact NE-OE2 2.93Å; R410-E419 IonicContact NH2-OE2 3.58Å; R410-E419 PolarHBondContact NH2-OE2 3.32Å; R410-V445 HydrophobicContact CB-CG1 4.43Å
411V86.2Confident79.7Confident115 Ų11576.4 Ų76.470%0.69738%0.38SS*.EExtended strand (participates in β ladder)trans-123.3124.1170.5-179.40000107.6V415V411-V415 WeakPolarHBondContact CA-O 2.99Å
412R80.8Confident80Confident108 Ų10875.9 Ų75.941%0.40838%0.377SS..EExtended strand (participates in β ladder)trans-122.2115.8174.8-175.5175.568.1-158.3-1.7108.3A414 V415 V445R412-A414 VanDerWaalsContact C-N 3.3Å; R412-A414 PolarHBondContact O-N 3.13Å; R412-V415 PolarHBondContact N-O 2.82Å; R412-V415 WeakPolarHBondContact O-CB 3.46Å; R412-V415 PolarHBondContact O-N 3.1Å; R412-V445 PolarHBondContact NH1-O 3.21Å
413N76.3Confident80.3Confident154 Ų15476 Ų7682%0.82438%0.378SS*.THydrogen-bonded Turntrans51.546.3-178.9-57.1-20.5000113.1V415N413-V415 PolarHBondContact O-N 3.07Å; N413-V415 VanDerWaalsContact O-N 3.15Å
414A82.1Confident81.6Confident99 Ų9969.5 Ų69.582%0.81836%0.359SS*.THydrogen-bonded Turntrans639.3-175.100000115.9R412R412-A414 VanDerWaalsContact C-N 3.3Å; R412-A414 PolarHBondContact O-N 3.13Å
415V85.1Confident83Confident62 Ų6260 Ų6038%0.37632%0.318SS..EExtended strand (participates in β ladder)trans-97132.4172.3-175.30000109.5V411 R412 N413 E447V411-V415 WeakPolarHBondContact CA-O 2.99Å; R412-V415 PolarHBondContact N-O 2.82Å; R412-V415 WeakPolarHBondContact O-CB 3.46Å; R412-V415 PolarHBondContact O-N 3.1Å; N413-V415 PolarHBondContact O-N 3.07Å; N413-V415 VanDerWaalsContact O-N 3.15Å; V415-E447 HydrophobicContact CG1-CG 3.81Å
416A90.5Very high84.4Confident48 Ų4857.2 Ų57.240%0.39731%0.312SS..EExtended strand (participates in β ladder)trans-68.8129.8174.600000110.3E448A416-E448 HydrophobicContact CB-CB 4.24Å; A416-E448 WeakPolarHBondContact CB-OE2 3.49Å; A416-E448 WeakPolarHBondContact O-CB 3.17Å; A416-E448 PolarHBondContact O-N 3.39Å
417C91.7Very high85.8Confident1 Ų160.6 Ų60.61%0.00733%0.327CS..EExtended strand (participates in β ladder)trans-136.7157.6-175.6-63.50000111.1R410 V445 E446R410-C417 HydrophobicContact CB-CB 4.26Å; R410-C417 PolarHBondContact N-O 2.65Å; R410-C417 PolarHBondContact O-N 2.56Å; R410-C417 VanDerWaalsContact O-O 3.08Å; C417-V445 HydrophobicContact CB-CG1 3.53Å; C417-E446 CarbonylContact C-O 3.47Å; C417-E446 WeakPolarHBondContact CA-O 3.37Å; C417-E446 WeakPolarHBondContact CB-O 3.39Å
418F90.3Very high87.1Confident5 Ų561.5 Ų61.52%0.02233%0.331CS..EExtended strand (participates in β ladder)trans-110134.4170.8-70-49.6000110.9L407 V420 V445 E446 E448 F451 R452 V459L407-F418 HydrophobicContact CB-CD1 3.97Å; L407-F418 HydrophobicContact CB-CE1 4.33Å; L407-F418 HydrophobicContact CB-CG 4.49Å; L407-F418 HydrophobicContact CD1-CD1 4.35Å; L407-F418 HydrophobicContact CD1-CE1 4.24Å; L407-F418 HydrophobicContact CD1-CE2 4.37Å; L407-F418 HydrophobicContact CD1-CZ 4.25Å; L407-F418 HydrophobicContact CD2-CB 3.41Å; L407-F418 VanDerWaalsContact CD2-CB 3.41Å; L407-F418 HydrophobicContact CD2-CD1 3.77Å; L407-F418 HydrophobicContact CD2-CD2 3.75Å; L407-F418 HydrophobicContact CD2-CE1 4.44Å; L407-F418 HydrophobicContact CD2-CE2 4.39Å; L407-F418 HydrophobicContact CD2-CG 3.4Å; L407-F418 HydrophobicContact CG-CD1 4.22Å; L407-F418 HydrophobicContact CG-CG 4.31Å; F418-V420 HydrophobicContact CB-CG2 3.98Å; F418-V420 PolarHBondContact O-N 2.77Å; F418-V445 WeakPolarHBondContact O-CA 3.09Å; F418-E446 PolarHBondContact N-O 3.39Å; F418-E446 PolarHBondContact O-N 2.94Å; F418-E448 HydrophobicContact CD2-CB 3.9Å; F418-E448 HydrophobicContact CD2-CG 4.13Å; F418-E448 HydrophobicContact CE1-CG 4.4Å; F418-E448 HydrophobicContact CE2-CB 3.74Å; F418-E448 HydrophobicContact CE2-CG 3.43Å; F418-E448 VanDerWaalsContact CE2-CG 3.43Å; F418-E448 HydrophobicContact CG-CB 4.45Å; F418-E448 HydrophobicContact CZ-CB 4.14Å; F418-E448 VanDerWaalsContact CZ-CD 3.47Å; F418-E448 HydrophobicContact CZ-CG 3.58Å; F418-E448 WeakPolarHBondContact CZ-OE1 3.23Å; F418-F451 HydrophobicContact CD2-CB 4.13Å; F418-F451 AromaticContact CD2-CD1 3.95Å; F418-F451 HydrophobicContact CD2-CD1 3.95Å; F418-F451 HydrophobicContact CD2-CG 4.28Å; F418-F451 HydrophobicContact CE2-CD1 4.42Å; F418-R452 HydrophobicContact CE2-CG 4.28Å; F418-V459 HydrophobicContact CE2-CG2 4.49Å
419E90.9Very high87.7Confident36 Ų3658.2 Ų58.217%0.16832%0.32CS..EExtended strand (participates in β ladder)trans-77.8110.3161.9-169179.2161.400108.6K408 R410 R443 T444K408-E419 HydrophobicContact CB-CB 4.13Å; K408-E419 PolarHBondContact O-N 3.34Å; R410-E419 HydrophobicContact CG-CB 4.15Å; R410-E419 IonicContact CZ-OE2 2.68Å; R410-E419 VanDerWaalsContact CZ-OE2 3.29Å; R410-E419 IonicContact NE-OE2 3.33Å; R410-E419 PolarHBondContact NE-OE2 2.93Å; R410-E419 IonicContact NH2-OE2 3.58Å; R410-E419 PolarHBondContact NH2-OE2 3.32Å; E419-R443 IonicContact OE1-NH1 2.78Å; E419-T444 WeakPolarHBondContact CA-O 3.19Å
420V89.8Confident88Confident0 Ų055 Ų550%030%0.298CS..EExtended strand (participates in β ladder)trans-106135.7-173.9-174.60000110.5P401 I406 L407 F418 W422 R443 T444 E446 F451P401-V420 HydrophobicContact CB-CG1 4.14Å; I406-V420 HydrophobicContact CD1-CG1 4.18Å; I406-V420 HydrophobicContact CG2-CB 4.25Å; I406-V420 HydrophobicContact CG2-CG1 4.05Å; I406-V420 HydrophobicContact CG2-CG2 4.43Å; L407-V420 HydrophobicContact CD2-CG2 4.27Å; F418-V420 HydrophobicContact CB-CG2 3.98Å; F418-V420 PolarHBondContact O-N 2.77Å; V420-W422 HydrophobicContact CB-CZ2 4.05Å; V420-W422 HydrophobicContact CG1-CD2 3.93Å; V420-W422 HydrophobicContact CG1-CG 4.4Å; V420-W422 HydrophobicContact CG1-CH2 4.3Å; V420-W422 HydrophobicContact CG1-CZ2 3.6Å; V420-R443 VanDerWaalsContact O-CA 3.3Å; V420-R443 WeakPolarHBondContact O-CA 3.1Å; V420-T444 PolarHBondContact N-O 3.2Å; V420-T444 PolarHBondContact O-N 2.68Å; V420-E446 HydrophobicContact CB-CG 4.38Å; V420-E446 HydrophobicContact CG2-CB 4.21Å; V420-E446 HydrophobicContact CG2-CG 3.95Å; V420-F451 HydrophobicContact CB-CE2 4.32Å; V420-F451 HydrophobicContact CG1-CE2 3.66Å; V420-F451 HydrophobicContact CG1-CZ 3.95Å; V420-F451 HydrophobicContact CG2-CD2 3.83Å; V420-F451 HydrophobicContact CG2-CE2 3.67Å; V420-F451 HydrophobicContact CG2-CG 4.4Å; V420-F451 HydrophobicContact CG2-CZ 4.08Å
421I89.4Confident88.1Confident19 Ų1952.3 Ų52.310%0.09729%0.294CS..EExtended strand (participates in β ladder)trans-104.6125.8175-49.5-174.5000109.3I402 R405 I406 E441 V442 R443I402-I421 HydrophobicContact CD1-CG2 4.17Å; I402-I421 PolarHBondContact N-O 3.32Å; I402-I421 VanDerWaalsContact N-O 3.13Å; R405-I421 HydrophobicContact CB-CD1 4.2Å; I406-I421 HydrophobicContact CD1-CB 4.35Å; I406-I421 WeakPolarHBondContact CD1-O 3.35Å; I406-I421 HydrophobicContact CG1-CB 4.04Å; I406-I421 HydrophobicContact CG1-CG1 4.42Å; I421-E441 HydrophobicContact CG2-CB 3.58Å; I421-E441 HydrophobicContact CG2-CG 4.15Å; I421-V442 CarbonylContact C-O 3.59Å; I421-V442 WeakPolarHBondContact CA-O 3.42Å; I421-R443 HydrophobicContact CG1-CG 4.23Å
422W89.9Confident87.7Confident0 Ų056.2 Ų56.20%031%0.305CS..EExtended strand (participates in β ladder)trans-115.4156.5-176.9-47.582.1000110.9T382 L386 I399 P401 V420 V442 T444 E446 F451 F455T382-W422 HydrophobicContact CG2-CD2 3.85Å; T382-W422 VanDerWaalsContact CG2-CE2 3.47Å; T382-W422 HydrophobicContact CG2-CE3 4.39Å; T382-W422 HydrophobicContact CG2-CG 4.24Å; T382-W422 HydrophobicContact CG2-CH2 4.21Å; T382-W422 HydrophobicContact CG2-CZ2 3.67Å; L386-W422 HydrophobicContact CD2-CH2 4.29Å; L386-W422 HydrophobicContact CG-CH2 4.46Å; I399-W422 HydrophobicContact CG2-CB 4.11Å; I399-W422 HydrophobicContact CG2-CD2 3.8Å; I399-W422 HydrophobicContact CG2-CE3 3.29Å; I399-W422 HydrophobicContact CG2-CG 4.16Å; I399-W422 HydrophobicContact CG2-CZ3 3.88Å; P401-W422 HydrophobicContact CB-CE3 4.11Å; P401-W422 HydrophobicContact CB-CZ3 4.27Å; P401-W422 HydrophobicContact CG-CE3 4.45Å; P401-W422 HydrophobicContact CG-CZ3 4.26Å; V420-W422 HydrophobicContact CB-CZ2 4.05Å; V420-W422 HydrophobicContact CG1-CD2 3.93Å; V420-W422 HydrophobicContact CG1-CG 4.4Å; V420-W422 HydrophobicContact CG1-CH2 4.3Å; V420-W422 HydrophobicContact CG1-CZ2 3.6Å; W422-V442 HydrophobicContact CB-CG2 3.78Å; W422-V442 PolarHBondContact N-O 3.12Å; W422-V442 PolarHBondContact O-N 3.09Å; W422-V442 VanDerWaalsContact O-N 3.12Å; W422-T444 PolarHBondContact NE1-OG1 3.29Å; W422-E446 HydrophobicContact CZ2-CG 3.93Å; W422-F451 HydrophobicContact CH2-CE2 4.12Å; W422-F451 HydrophobicContact CZ2-CE2 4.33Å; W422-F455 HydrophobicContact CH2-CE2 4.12Å; W422-F455 HydrophobicContact CZ3-CE2 4.03Å; W422-F455 HydrophobicContact CZ3-CZ 4.19Å
423N89.8Confident87.4Confident55 Ų5560.1 Ų60.129%0.29433%0.328SS..EExtended strand (participates in β ladder)trans-59.6151.2162.868.2-25.1000110.3Q398 I399 M400 P425Q398-N423 PolarHBondContact O-ND2 3.43Å; Q398-N423 PolarHBondContact O-OD1 2.84Å; I399-N423 WeakPolarHBondContact CA-OD1 3.35Å; M400-N423 PolarHBondContact N-OD1 2.76Å; M400-N423 PolarHBondContact O-N 3.41Å; M400-N423 PolarHBondContact O-OD1 3.02Å; M400-N423 VanDerWaalsContact O-OD1 3.1Å; N423-P425 VanDerWaalsContact O-CD 3.31Å; N423-P425 WeakPolarHBondContact O-CD 3.35Å
424T88.9Confident87.4Confident45 Ų4556.7 Ų56.728%0.27630%0.303SS..PPolyproline II helixtrans-68.7120176.5-55.20000109.8F428 F430 H440T424-F428 HydrophobicContact CG2-CB 3.71Å; T424-F428 HydrophobicContact CG2-CD1 4.23Å; T424-F428 HydrophobicContact CG2-CG 4.23Å; T424-F430 HydrophobicContact CG2-CE2 3.71Å; T424-F430 HydrophobicContact CG2-CZ 3.86Å; T424-H440 VanDerWaalsContact OG1-C 3.28Å; T424-H440 PolarHBondContact OG1-O 3.33Å
425P89.3Confident87Confident3 Ų355.5 Ų55.52%0.01929%0.287CS..PPolyproline II helixtrans-67.4158.1175.118.7-20.1000111.4L378 M381 I399 N423 H427 F428L378-P425 HydrophobicContact CD1-CG 4.01Å; M381-P425 HydrophobicContact CE-CB 4.34Å; I399-P425 HydrophobicContact CD1-CB 4.06Å; I399-P425 HydrophobicContact CD1-CG 4.09Å; I399-P425 HydrophobicContact CG1-CB 3.77Å; I399-P425 HydrophobicContact CG1-CG 4.16Å; N423-P425 VanDerWaalsContact O-CD 3.31Å; N423-P425 WeakPolarHBondContact O-CD 3.35Å; P425-H427 PolarHBondContact O-N 3.18Å; P425-F428 HydrophobicContact CG-CB 4Å; P425-F428 HydrophobicContact CG-CD2 4.04Å; P425-F428 HydrophobicContact CG-CG 4.38Å; P425-F428 WeakPolarHBondContact O-CB 3.23Å; P425-F428 PolarHBondContact O-N 3.04Å
426E87.7Confident86.1Confident108 Ų10856 Ų5651%0.50530%0.298SS..THydrogen-bonded Turntrans-56.4137.5175.5-161-178.4-17900110.6I355 Q398 F428I355-E426 WeakPolarHBondContact CG2-O 3.31Å; Q398-E426 PolarHBondContact NE2-OE2 3.3Å; Q398-E426 VanDerWaalsContact NE2-OE2 3.07Å; E426-F428 PolarHBondContact O-N 3.47Å
427H91Very high84.8Confident89 Ų8961.7 Ų61.741%0.41232%0.316SS..THydrogen-bonded Turntrans64.19.1-178.3-42.8-58.2000116.5I355 L356 Q359 P425 V429I355-H427 HydrophobicContact CG2-CB 4.22Å; L356-H427 HydrophobicContact CB-CB 4.21Å; L356-H427 HydrophobicContact CD1-CB 4.38Å; Q359-H427 PolarHBondContact NE2-O 3.46Å; P425-H427 PolarHBondContact O-N 3.18Å; H427-V429 PolarHBondContact O-N 3.27Å
428F91.4Very high83.5Confident31 Ų3165.9 Ų65.914%0.13634%0.339CS..  trans-62.4131.4170.5-169.5-85.7000110.5I355 L378 T424 P425 E426 F430 V442I355-F428 HydrophobicContact CD1-CB 4.4Å; I355-F428 HydrophobicContact CD1-CD2 3.92Å; L378-F428 HydrophobicContact CB-CE2 4.15Å; L378-F428 HydrophobicContact CD2-CE2 3.99Å; L378-F428 HydrophobicContact CG-CE2 4.46Å; T424-F428 HydrophobicContact CG2-CB 3.71Å; T424-F428 HydrophobicContact CG2-CD1 4.23Å; T424-F428 HydrophobicContact CG2-CG 4.23Å; P425-F428 HydrophobicContact CG-CB 4Å; P425-F428 HydrophobicContact CG-CD2 4.04Å; P425-F428 HydrophobicContact CG-CG 4.38Å; P425-F428 WeakPolarHBondContact O-CB 3.23Å; P425-F428 PolarHBondContact O-N 3.04Å; E426-F428 PolarHBondContact O-N 3.47Å; F428-F430 HydrophobicContact CD1-CD1 4.18Å; F428-F430 HydrophobicContact CD1-CD2 4.1Å; F428-F430 AromaticContact CD1-CE1 3.97Å; F428-F430 HydrophobicContact CD1-CE1 3.97Å; F428-F430 AromaticContact CD1-CE2 3.88Å; F428-F430 HydrophobicContact CD1-CE2 3.88Å; F428-F430 HydrophobicContact CD1-CG 4.25Å; F428-F430 AromaticContact CD1-CZ 3.82Å; F428-F430 HydrophobicContact CD1-CZ 3.82Å; F428-F430 AromaticContact CE1-CD1 3.7Å; F428-F430 HydrophobicContact CE1-CD1 3.7Å; F428-F430 HydrophobicContact CE1-CD2 4.43Å; F428-F430 AromaticContact CE1-CE1 3.63Å; F428-F430 HydrophobicContact CE1-CE1 3.63Å; F428-F430 HydrophobicContact CE1-CE2 4.35Å; F428-F430 HydrophobicContact CE1-CG 4.12Å; F428-F430 AromaticContact CE1-CZ 3.97Å; F428-F430 HydrophobicContact CE1-CZ 3.97Å; F428-V442 HydrophobicContact CD1-CG1 3.9Å; F428-V442 HydrophobicContact CD2-CG1 4.25Å; F428-V442 HydrophobicContact CE1-CG1 3.7Å; F428-V442 HydrophobicContact CE2-CG1 4.06Å; F428-V442 HydrophobicContact CG-CG1 4.19Å; F428-V442 HydrophobicContact CZ-CG1 3.79Å
429V91.3Very high82.6Confident51 Ų5169 Ų6931%0.30935%0.353SS..  trans-108.7125.9179.4179.50000109.3K370 H371 S374 H427K370-V429 HydrophobicContact CB-CB 4.13Å; K370-V429 HydrophobicContact CB-CG1 4.11Å; K370-V429 HydrophobicContact CB-CG2 4.12Å; H371-V429 WeakPolarHBondContact CA-O 3.36Å; H371-V429 HydrophobicContact CB-CG1 4.25Å; H371-V429 VanDerWaalsContact CB-O 3.3Å; H371-V429 WeakPolarHBondContact CB-O 3.26Å; S374-V429 PolarHBondContact OG-N 3.1Å; H427-V429 PolarHBondContact O-N 3.27Å
430F89.6Confident81.8Confident18 Ų1873.7 Ų73.78%0.07938%0.375CS..  trans-86.1157.1172.5-66.2-83.4000111.4T424 F428 Q439 V442T424-F430 HydrophobicContact CG2-CE2 3.71Å; T424-F430 HydrophobicContact CG2-CZ 3.86Å; F428-F430 HydrophobicContact CD1-CD1 4.18Å; F428-F430 HydrophobicContact CD1-CD2 4.1Å; F428-F430 AromaticContact CD1-CE1 3.97Å; F428-F430 HydrophobicContact CD1-CE1 3.97Å; F428-F430 AromaticContact CD1-CE2 3.88Å; F428-F430 HydrophobicContact CD1-CE2 3.88Å; F428-F430 HydrophobicContact CD1-CG 4.25Å; F428-F430 AromaticContact CD1-CZ 3.82Å; F428-F430 HydrophobicContact CD1-CZ 3.82Å; F428-F430 AromaticContact CE1-CD1 3.7Å; F428-F430 HydrophobicContact CE1-CD1 3.7Å; F428-F430 HydrophobicContact CE1-CD2 4.43Å; F428-F430 AromaticContact CE1-CE1 3.63Å; F428-F430 HydrophobicContact CE1-CE1 3.63Å; F428-F430 HydrophobicContact CE1-CE2 4.35Å; F428-F430 HydrophobicContact CE1-CG 4.12Å; F428-F430 AromaticContact CE1-CZ 3.97Å; F428-F430 HydrophobicContact CE1-CZ 3.97Å; F430-Q439 HydrophobicContact CB-CG 4Å; F430-Q439 HydrophobicContact CD1-CG 4.43Å; F430-Q439 HydrophobicContact CD2-CB 3.59Å; F430-Q439 HydrophobicContact CD2-CG 3.7Å; F430-Q439 HydrophobicContact CE2-CB 3.67Å; F430-Q439 HydrophobicContact CE2-CG 4.27Å; F430-Q439 WeakPolarHBondContact CE2-O 3.48Å; F430-Q439 HydrophobicContact CG-CB 4.12Å; F430-Q439 HydrophobicContact CG-CG 3.79Å; F430-Q439 HydrophobicContact CZ-CB 4.27Å; F430-V442 HydrophobicContact CE1-CG1 3.9Å; F430-V442 HydrophobicContact CZ-CG1 3.85Å
431P87.7Confident81.5Confident51 Ų5174.7 Ų74.733%0.33138%0.38SS..  trans-59.7142.9168.5-19.732000111.1H371 E433 R434H371-P431 HydrophobicContact CB-CG 4.19Å; P431-E433 PolarHBondContact O-N 3.39Å; P431-R434 WeakPolarHBondContact O-CB 3.42Å; P431-R434 PolarHBondContact O-N 3.25Å
432E78.1Confident81.4Confident197 Ų19774 Ų7492%0.92138%0.376SS*.THydrogen-bonded Turntrans-61.4-26.6-177-65-179.4179.500113.1R434E432-R434 PolarHBondContact O-N 2.79Å
433E75.8Confident81.4Confident191 Ų19180.2 Ų80.289%0.89340%0.4SS*.THydrogen-bonded Turntrans-74.9-9.8178.7-61.2174.2179.700113.5P431P431-E433 PolarHBondContact O-N 3.39Å
434R74.9Confident81.5Confident81 Ų8178 Ų7831%0.30639%0.388SS..SBendtrans-85.4124.8-176.7-168.3171.3178.1178.8-11.5110.8P431 E432 D438 Q439 E441P431-R434 WeakPolarHBondContact O-CB 3.42Å; P431-R434 PolarHBondContact O-N 3.25Å; E432-R434 PolarHBondContact O-N 2.79Å; R434-D438 HydrophobicContact CG-CB 4.17Å; R434-D438 VanDerWaalsContact CZ-O 3.27Å; R434-D438 PolarHBondContact NE-O 3.22Å; R434-D438 PolarHBondContact NH2-O 3.39Å; R434-Q439 PolarHBondContact O-NE2 3.08Å; R434-E441 PolarHBondContact NH2-O 3.21Å; R434-E441 VanDerWaalsContact NH2-O 3.15Å
435P73.2Confident81.7Confident75 Ų7578.2 Ų78.249%0.48739%0.389SS..  trans-53.9139.7178.7-24.132.7000112E437 D438P435-E437 PolarHBondContact O-N 2.76Å; P435-E437 VanDerWaalsContact O-N 3.15Å; P435-D438 PolarHBondContact O-N 2.72Å
436A67Low81.8Confident72 Ų7278.4 Ų78.460%0.59539%0.39SS*.G310 helixtrans-57.6-30.7-178.700000112.9D438 Q439A436-D438 PolarHBondContact O-N 2.94Å; A436-Q439 PolarHBondContact O-N 3.4Å
437E63.5Low82Confident167 Ų16777 Ų7778%0.7838%0.383SS*.G310 helixtrans-64.7-23176.8-59.9176.6-168.200113.1P435 H440P435-E437 PolarHBondContact O-N 2.76Å; P435-E437 VanDerWaalsContact O-N 3.15Å; E437-H440 PolarHBondContact O-CD2 3.09Å; E437-H440 VanDerWaalsContact O-CD2 3.23Å
438D65.3Low82Confident90 Ų9075 Ų7548%0.48137%0.374SS..G310 helixtrans-98.71.4179.7-71.8-35.6000113.2R434 P435 A436 H440R434-D438 HydrophobicContact CG-CB 4.17Å; R434-D438 VanDerWaalsContact CZ-O 3.27Å; R434-D438 PolarHBondContact NE-O 3.22Å; R434-D438 PolarHBondContact NH2-O 3.39Å; P435-D438 PolarHBondContact O-N 2.72Å; A436-D438 PolarHBondContact O-N 2.94Å; D438-H440 PolarHBondContact O-N 3.28Å
439Q69.9Low82Confident70 Ų7076.7 Ų76.733%0.32739%0.389SS..THydrogen-bonded Turntrans-87.128.8-176.7-64.1-174.312.100113.5F430 R434 A436F430-Q439 HydrophobicContact CB-CG 4Å; F430-Q439 HydrophobicContact CD1-CG 4.43Å; F430-Q439 HydrophobicContact CD2-CB 3.59Å; F430-Q439 HydrophobicContact CD2-CG 3.7Å; F430-Q439 HydrophobicContact CE2-CB 3.67Å; F430-Q439 HydrophobicContact CE2-CG 4.27Å; F430-Q439 WeakPolarHBondContact CE2-O 3.48Å; F430-Q439 HydrophobicContact CG-CB 4.12Å; F430-Q439 HydrophobicContact CG-CG 3.79Å; F430-Q439 HydrophobicContact CZ-CB 4.27Å; R434-Q439 PolarHBondContact O-NE2 3.08Å; A436-Q439 PolarHBondContact O-N 3.4Å
440H74.1Confident82Confident134 Ų13474.9 Ų74.962%0.6238%0.378SS*.THydrogen-bonded Turntrans-111.5-11.3-176.6-58.3-48.9000113.9T424 E437 D438T424-H440 VanDerWaalsContact OG1-C 3.28Å; T424-H440 PolarHBondContact OG1-O 3.33Å; E437-H440 PolarHBondContact O-CD2 3.09Å; E437-H440 VanDerWaalsContact O-CD2 3.23Å; D438-H440 PolarHBondContact O-N 3.28Å
441E83.3Confident82.1Confident22 Ų2274 Ų7410%0.10337%0.374CS..EExtended strand (participates in β ladder)trans-139.3142.6-178.359.9173.7-13000113I402 R405 I421 R434 R443I402-E441 HydrophobicContact CD1-CB 4.33Å; R405-E441 IonicContact CZ-OE2 3.41Å; R405-E441 IonicContact NH1-OE2 3.93Å; R405-E441 PolarHBondContact NH1-OE2 3Å; I421-E441 HydrophobicContact CG2-CB 3.58Å; I421-E441 HydrophobicContact CG2-CG 4.15Å; R434-E441 PolarHBondContact NH2-O 3.21Å; R434-E441 VanDerWaalsContact NH2-O 3.15Å; E441-R443 IonicContact OE1-CZ 3.89Å; E441-R443 IonicContact OE1-NE 2.8Å; E441-R443 PolarHBondContact OE1-NE 3.2Å; E441-R443 IonicContact OE1-NH2 2.93Å; E441-R443 PolarHBondContact OE1-NH2 3.12Å
442V88.4Confident82.3Confident3 Ų377.1 Ų77.12%0.01838%0.379CS..EExtended strand (participates in β ladder)trans-119.5153.8174.8-58.60000110.1L378 I421 W422 F428 F430L378-V442 HydrophobicContact CD1-CG2 3.91Å; L378-V442 HydrophobicContact CD2-CB 3.68Å; L378-V442 HydrophobicContact CD2-CG1 4.47Å; L378-V442 HydrophobicContact CD2-CG2 3.7Å; L378-V442 HydrophobicContact CG-CG2 4.45Å; I421-V442 CarbonylContact C-O 3.59Å; I421-V442 WeakPolarHBondContact CA-O 3.42Å; W422-V442 HydrophobicContact CB-CG2 3.78Å; W422-V442 PolarHBondContact N-O 3.12Å; W422-V442 PolarHBondContact O-N 3.09Å; W422-V442 VanDerWaalsContact O-N 3.12Å; F428-V442 HydrophobicContact CD1-CG1 3.9Å; F428-V442 HydrophobicContact CD2-CG1 4.25Å; F428-V442 HydrophobicContact CE1-CG1 3.7Å; F428-V442 HydrophobicContact CE2-CG1 4.06Å; F428-V442 HydrophobicContact CG-CG1 4.19Å; F428-V442 HydrophobicContact CZ-CG1 3.79Å; F430-V442 HydrophobicContact CE1-CG1 3.9Å; F430-V442 HydrophobicContact CZ-CG1 3.85Å
443R90.2Very high82.9Confident132 Ų13271.8 Ų71.850%0.49836%0.36SS..EExtended strand (participates in β ladder)trans-128.9140.9-172.8-57.3-172.9-1761705.5111.8E419 V420 I421 E441E419-R443 IonicContact OE1-NH1 2.78Å; V420-R443 VanDerWaalsContact O-CA 3.3Å; V420-R443 WeakPolarHBondContact O-CA 3.1Å; I421-R443 HydrophobicContact CG1-CG 4.23Å; E441-R443 IonicContact OE1-CZ 3.89Å; E441-R443 IonicContact OE1-NE 2.8Å; E441-R443 PolarHBondContact OE1-NE 3.2Å; E441-R443 IonicContact OE1-NH2 2.93Å; E441-R443 PolarHBondContact OE1-NH2 3.12Å
444T92.3Very high83.6Confident8 Ų863 Ų635%0.04932%0.319CS..EExtended strand (participates in β ladder)trans-138.7167.6171.664.70000110.8L378 V379 T382 E419 V420 W422 E446L378-T444 HydrophobicContact CD2-CG2 3.75Å; L378-T444 HydrophobicContact CG-CG2 3.79Å; V379-T444 HydrophobicContact CG1-CG2 4.14Å; T382-T444 HydrophobicContact CG2-CG2 3.92Å; E419-T444 WeakPolarHBondContact CA-O 3.19Å; V420-T444 PolarHBondContact N-O 3.2Å; V420-T444 PolarHBondContact O-N 2.68Å; W422-T444 PolarHBondContact NE1-OG1 3.29Å; T444-E446 VanDerWaalsContact CB-OE1 3.23Å; T444-E446 WeakPolarHBondContact CB-OE1 3.13Å; T444-E446 PolarHBondContact OG1-OE1 3.39Å
445V91.9Very high84.2Confident49 Ų4959.1 Ų59.130%0.29731%0.305SS..EExtended strand (participates in β ladder)trans-115.7109.1175.4179.10000108.6R410 R412 C417 F418R410-V445 HydrophobicContact CB-CG1 4.43Å; R412-V445 PolarHBondContact NH1-O 3.21Å; C417-V445 HydrophobicContact CB-CG1 3.53Å; F418-V445 WeakPolarHBondContact O-CA 3.09Å
446E92.1Very high84.9Confident8 Ų858.4 Ų58.44%0.03730%0.3CS..EExtended strand (participates in β ladder)trans-108.7149.4-173.9-53.6-57.1166.400111.6T382 L386 C417 F418 V420 W422 T444 E448 F451T382-E446 WeakPolarHBondContact CB-OE1 3.44Å; T382-E446 PolarHBondContact OG1-OE1 3.22Å; L386-E446 HydrophobicContact CD1-CB 4.06Å; L386-E446 HydrophobicContact CD1-CG 3.94Å; C417-E446 CarbonylContact C-O 3.47Å; C417-E446 WeakPolarHBondContact CA-O 3.37Å; C417-E446 WeakPolarHBondContact CB-O 3.39Å; F418-E446 PolarHBondContact N-O 3.39Å; F418-E446 PolarHBondContact O-N 2.94Å; V420-E446 HydrophobicContact CB-CG 4.38Å; V420-E446 HydrophobicContact CG2-CB 4.21Å; V420-E446 HydrophobicContact CG2-CG 3.95Å; W422-E446 HydrophobicContact CZ2-CG 3.93Å; T444-E446 VanDerWaalsContact CB-OE1 3.23Å; T444-E446 WeakPolarHBondContact CB-OE1 3.13Å; T444-E446 PolarHBondContact OG1-OE1 3.39Å; E446-E448 PolarHBondContact O-N 2.8Å; E446-F451 HydrophobicContact CB-CD2 4.41Å
447E91.7Very high85.9Confident79 Ų7958.3 Ų58.337%0.36929%0.288SS..EExtended strand (participates in β ladder)trans-64.6130.4174.9-173.4-179.3160.800110.5V415 S449 L450 F451V415-E447 HydrophobicContact CG1-CG 3.81Å; E447-S449 VanDerWaalsContact C-N 3.3Å; E447-S449 PolarHBondContact O-N 2.93Å; E447-S449 PolarHBondContact OE1-OG 3.42Å; E447-L450 HydrophobicContact CB-CB 4.26Å; E447-L450 PolarHBondContact O-N 2.81Å; E447-F451 WeakPolarHBondContact O-CB 3.37Å; E447-F451 PolarHBondContact O-N 2.87Å
448E90.7Very high86.9Confident47 Ų4750.7 Ų50.722%0.2225%0.252CS..Hα-helixtrans-59.8-41.3-176.8162.7165.3-168.100112A416 F418 E446 L450 F451 R452A416-E448 HydrophobicContact CB-CB 4.24Å; A416-E448 WeakPolarHBondContact CB-OE2 3.49Å; A416-E448 WeakPolarHBondContact O-CB 3.17Å; A416-E448 PolarHBondContact O-N 3.39Å; F418-E448 HydrophobicContact CD2-CB 3.9Å; F418-E448 HydrophobicContact CD2-CG 4.13Å; F418-E448 HydrophobicContact CE1-CG 4.4Å; F418-E448 HydrophobicContact CE2-CB 3.74Å; F418-E448 HydrophobicContact CE2-CG 3.43Å; F418-E448 VanDerWaalsContact CE2-CG 3.43Å; F418-E448 HydrophobicContact CG-CB 4.45Å; F418-E448 HydrophobicContact CZ-CB 4.14Å; F418-E448 VanDerWaalsContact CZ-CD 3.47Å; F418-E448 HydrophobicContact CZ-CG 3.58Å; F418-E448 WeakPolarHBondContact CZ-OE1 3.23Å; E446-E448 PolarHBondContact O-N 2.8Å; E448-L450 PolarHBondContact O-N 3.41Å; E448-F451 PolarHBondContact O-N 3.03Å; E448-R452 HydrophobicContact CG-CG 4.44Å; E448-R452 WeakPolarHBondContact O-CB 3.44Å; E448-R452 VanDerWaalsContact O-CG 3.27Å; E448-R452 WeakPolarHBondContact O-CG 3.3Å; E448-R452 PolarHBondContact O-N 3.04Å; E448-R452 IonicContact OE1-CZ 2.87Å; E448-R452 IonicContact OE1-NE 3.95Å; E448-R452 PolarHBondContact OE1-NE 3.29Å; E448-R452 IonicContact OE1-NH2 3.19Å; E448-R452 PolarHBondContact OE1-NH2 3.15Å
449S91.4Very high87.7Confident65 Ų6546.9 Ų46.946%0.45523%0.232SC..Hα-helixtrans-60.9-43.9179.8800000111.8E447 V453E447-S449 VanDerWaalsContact C-N 3.3Å; E447-S449 PolarHBondContact O-N 2.93Å; E447-S449 PolarHBondContact OE1-OG 3.42Å; S449-V453 WeakPolarHBondContact O-CG2 3.21Å; S449-V453 PolarHBondContact O-N 3.22Å
450L91.5Very high88.2Confident13 Ų1351.3 Ų51.37%0.06825%0.253CS..Hα-helixtrans-73.6-40.9-178.6-18060.6000111.1Y383 L386 M387 K390 E447 E448 V453 A454Y383-L450 HydrophobicContact CD2-CD2 3.98Å; Y383-L450 HydrophobicContact CE2-CD2 3.83Å; L386-L450 HydrophobicContact CB-CD1 4.4Å; L386-L450 HydrophobicContact CB-CD2 3.93Å; L386-L450 HydrophobicContact CB-CG 3.93Å; L386-L450 HydrophobicContact CD1-CD2 4.02Å; L386-L450 HydrophobicContact CD1-CG 4.23Å; M387-L450 HydrophobicContact SD-CD1 3.93Å; M387-L450 HydrophobicContact SD-CD2 4.36Å; K390-L450 HydrophobicContact CB-CD1 4.32Å; K390-L450 HydrophobicContact CD-CD1 3.6Å; E447-L450 HydrophobicContact CB-CB 4.26Å; E447-L450 PolarHBondContact O-N 2.81Å; E448-L450 PolarHBondContact O-N 3.41Å; L450-V453 PolarHBondContact O-N 3.13Å; L450-A454 PolarHBondContact O-N 2.75Å; L450-A454 VanDerWaalsContact O-N 3.09Å
451F91.4Very high88.2Confident0 Ų048.9 Ų48.90%025%0.251CS..Hα-helixtrans-65.1-42.7179.4-168.1-93.9000112.2L386 P401 L407 F418 V420 W422 E446 E447 E448 V453 A454 F455 I458 V459L386-F451 HydrophobicContact CD2-CD2 3.77Å; L386-F451 HydrophobicContact CD2-CE2 4.39Å; P401-F451 HydrophobicContact CB-CZ 4.27Å; P401-F451 HydrophobicContact CG-CZ 4.49Å; L407-F451 HydrophobicContact CD2-CD1 4.24Å; L407-F451 HydrophobicContact CD2-CE1 3.93Å; F418-F451 HydrophobicContact CD2-CB 4.13Å; F418-F451 AromaticContact CD2-CD1 3.95Å; F418-F451 HydrophobicContact CD2-CD1 3.95Å; F418-F451 HydrophobicContact CD2-CG 4.28Å; F418-F451 HydrophobicContact CE2-CD1 4.42Å; V420-F451 HydrophobicContact CB-CE2 4.32Å; V420-F451 HydrophobicContact CG1-CE2 3.66Å; V420-F451 HydrophobicContact CG1-CZ 3.95Å; V420-F451 HydrophobicContact CG2-CD2 3.83Å; V420-F451 HydrophobicContact CG2-CE2 3.67Å; V420-F451 HydrophobicContact CG2-CG 4.4Å; V420-F451 HydrophobicContact CG2-CZ 4.08Å; W422-F451 HydrophobicContact CH2-CE2 4.12Å; W422-F451 HydrophobicContact CZ2-CE2 4.33Å; E446-F451 HydrophobicContact CB-CD2 4.41Å; E447-F451 WeakPolarHBondContact O-CB 3.37Å; E447-F451 PolarHBondContact O-N 2.87Å; E448-F451 PolarHBondContact O-N 3.03Å; F451-V453 PolarHBondContact O-N 2.8Å; F451-A454 PolarHBondContact O-N 3.05Å; F451-A454 VanDerWaalsContact O-N 3.16Å; F451-F455 HydrophobicContact CD2-CD2 4.2Å; F451-F455 HydrophobicContact CE1-CB 4.22Å; F451-F455 AromaticContact CE2-CD2 3.77Å; F451-F455 HydrophobicContact CE2-CD2 3.77Å; F451-F455 HydrophobicContact CE2-CE2 4.39Å; F451-F455 HydrophobicContact CE2-CG 4.45Å; F451-F455 HydrophobicContact CZ-CB 4.12Å; F451-F455 HydrophobicContact CZ-CD2 4.13Å; F451-F455 HydrophobicContact CZ-CG 4.36Å; F451-F455 PolarHBondContact O-N 2.88Å; F451-I458 HydrophobicContact CE1-CG2 4.42Å; F451-V459 HydrophobicContact CD1-CG2 3.67Å; F451-V459 HydrophobicContact CE1-CG2 3.84Å
452R91.1Very high87.4Confident117 Ų11755.6 Ų55.644%0.44228%0.276SS..Hα-helixtrans-57.2-36.9175.5-78.1176.5-178.2-80.3-0.2112.9F418 E448 P456 V459F418-R452 HydrophobicContact CE2-CG 4.28Å; E448-R452 HydrophobicContact CG-CG 4.44Å; E448-R452 WeakPolarHBondContact O-CB 3.44Å; E448-R452 VanDerWaalsContact O-CG 3.27Å; E448-R452 WeakPolarHBondContact O-CG 3.3Å; E448-R452 PolarHBondContact O-N 3.04Å; E448-R452 IonicContact OE1-CZ 2.87Å; E448-R452 IonicContact OE1-NE 3.95Å; E448-R452 PolarHBondContact OE1-NE 3.29Å; E448-R452 IonicContact OE1-NH2 3.19Å; E448-R452 PolarHBondContact OE1-NH2 3.15Å; R452-P456 WeakPolarHBondContact O-CA 3.21Å; R452-V459 HydrophobicContact CG-CB 4.4Å; R452-V459 HydrophobicContact CG-CG1 4.01Å; R452-V459 HydrophobicContact CG-CG2 4.06Å
453V91.8Very high87.4Confident85 Ų8558.2 Ų58.252%0.51529%0.289SS..Hα-helixtrans-75.1-37.5178174.50000111.7K390 S449 L450 F451K390-V453 HydrophobicContact CB-CG1 4.19Å; K390-V453 HydrophobicContact CG-CG1 4.02Å; S449-V453 WeakPolarHBondContact O-CG2 3.21Å; S449-V453 PolarHBondContact O-N 3.22Å; L450-V453 PolarHBondContact O-N 3.13Å; F451-V453 PolarHBondContact O-N 2.8Å
454A89.6Confident87.2Confident5 Ų554.3 Ų54.34%0.04128%0.278CS..Hα-helixtrans-79.8-32.7-176.100000113.9L386 R389 L450 F451L386-A454 HydrophobicContact CB-CB 4.26Å; L386-A454 HydrophobicContact CD2-CB 3.41Å; L386-A454 VanDerWaalsContact CD2-CB 3.41Å; L386-A454 HydrophobicContact CG-CB 4.45Å; R389-A454 HydrophobicContact CB-CB 3.97Å; R389-A454 WeakPolarHBondContact CD-O 3.3Å; L450-A454 PolarHBondContact O-N 2.75Å; L450-A454 VanDerWaalsContact O-N 3.09Å; F451-A454 PolarHBondContact O-N 3.05Å; F451-A454 VanDerWaalsContact O-N 3.16Å
455F88.7Confident86.9Confident1 Ų156.9 Ų56.90%0.00429%0.291CS..  trans-137.660.7-176.7-64.4-83.4000111.6E385 L386 R389 M400 P401 W422 F451 E457 I458 V459E385-F455 HydrophobicContact CG-CZ 4.19Å; L386-F455 HydrophobicContact CD2-CD2 3.82Å; L386-F455 HydrophobicContact CD2-CE2 3.7Å; R389-F455 VanDerWaalsContact NH1-CD1 3.26Å; M400-F455 HydrophobicContact SD-CE1 4.37Å; P401-F455 VanDerWaalsContact CD-CZ 3.42Å; P401-F455 HydrophobicContact CG-CD1 3.58Å; P401-F455 HydrophobicContact CG-CD2 4.19Å; P401-F455 HydrophobicContact CG-CE1 3.46Å; P401-F455 VanDerWaalsContact CG-CE1 3.46Å; P401-F455 HydrophobicContact CG-CE2 4.12Å; P401-F455 HydrophobicContact CG-CG 3.94Å; P401-F455 HydrophobicContact CG-CZ 3.77Å; W422-F455 HydrophobicContact CH2-CE2 4.12Å; W422-F455 HydrophobicContact CZ3-CE2 4.03Å; W422-F455 HydrophobicContact CZ3-CZ 4.19Å; F451-F455 HydrophobicContact CD2-CD2 4.2Å; F451-F455 HydrophobicContact CE1-CB 4.22Å; F451-F455 AromaticContact CE2-CD2 3.77Å; F451-F455 HydrophobicContact CE2-CD2 3.77Å; F451-F455 HydrophobicContact CE2-CE2 4.39Å; F451-F455 HydrophobicContact CE2-CG 4.45Å; F451-F455 HydrophobicContact CZ-CB 4.12Å; F451-F455 HydrophobicContact CZ-CD2 4.13Å; F451-F455 HydrophobicContact CZ-CG 4.36Å; F451-F455 PolarHBondContact O-N 2.88Å; F455-E457 PolarHBondContact O-N 3.25Å; F455-I458 HydrophobicContact CB-CB 4.23Å; F455-I458 HydrophobicContact CB-CD1 4.02Å; F455-I458 HydrophobicContact CB-CG1 4.17Å; F455-I458 HydrophobicContact CD1-CD1 3.86Å; F455-I458 HydrophobicContact CG-CD1 4.19Å; F455-I458 PolarHBondContact O-N 2.8Å; F455-I458 VanDerWaalsContact O-N 3.16Å; F455-V459 PolarHBondContact O-N 3.41Å
456P88.1Confident86.7Confident60 Ų6057.4 Ų57.439%0.3929%0.291SS..Hα-helixtrans-56.5-39-178.724.1-34.3000112.2R452 I458 V459 E460R452-P456 WeakPolarHBondContact O-CA 3.21Å; P456-I458 PolarHBondContact O-N 3.23Å; P456-I458 VanDerWaalsContact O-N 3.16Å; P456-V459 PolarHBondContact O-N 3.24Å; P456-V459 VanDerWaalsContact O-N 3.16Å; P456-E460 WeakPolarHBondContact O-CG 3.45Å; P456-E460 PolarHBondContact O-N 2.78Å
457E86.8Confident86.3Confident70 Ų7060.4 Ų60.433%0.32731%0.307SS..Hα-helixtrans-63.1-24.9-177.971.9-76.5-175.800113.7R389 F455 S461R389-E457 IonicContact NH1-OE1 2.8Å; F455-E457 PolarHBondContact O-N 3.25Å; E457-S461 PolarHBondContact O-OG 2.98Å
458I84.4Confident86Confident7 Ų759.2 Ų59.24%0.03630%0.302CS..Hα-helixtrans-85.2-38.8179.5-59.8-174.6000110P401 R403 F451 F455 P456 S461 Y462P401-I458 HydrophobicContact CB-CD1 3.77Å; P401-I458 HydrophobicContact CG-CD1 3.15Å; R403-I458 HydrophobicContact CG-CD1 4.3Å; R403-I458 HydrophobicContact CG-CG1 4.21Å; F451-I458 HydrophobicContact CE1-CG2 4.42Å; F455-I458 HydrophobicContact CB-CB 4.23Å; F455-I458 HydrophobicContact CB-CD1 4.02Å; F455-I458 HydrophobicContact CB-CG1 4.17Å; F455-I458 HydrophobicContact CD1-CD1 3.86Å; F455-I458 HydrophobicContact CG-CD1 4.19Å; F455-I458 PolarHBondContact O-N 2.8Å; F455-I458 VanDerWaalsContact O-N 3.16Å; P456-I458 PolarHBondContact O-N 3.23Å; P456-I458 VanDerWaalsContact O-N 3.16Å; I458-S461 PolarHBondContact O-N 2.95Å; I458-S461 PolarHBondContact O-OG 3.06Å; I458-Y462 PolarHBondContact O-N 3.37Å
459V83.1Confident85.6Confident10 Ų1060.1 Ų60.16%0.06131%0.308CS..Hα-helixtrans-72.7-32.6178.7-172.40000111.6L407 F418 F451 R452 F455 P456 S461 Y462L407-V459 HydrophobicContact CD1-CG1 4.45Å; L407-V459 HydrophobicContact CD1-CG2 4.28Å; F418-V459 HydrophobicContact CE2-CG2 4.49Å; F451-V459 HydrophobicContact CD1-CG2 3.67Å; F451-V459 HydrophobicContact CE1-CG2 3.84Å; R452-V459 HydrophobicContact CG-CB 4.4Å; R452-V459 HydrophobicContact CG-CG1 4.01Å; R452-V459 HydrophobicContact CG-CG2 4.06Å; F455-V459 PolarHBondContact O-N 3.41Å; P456-V459 PolarHBondContact O-N 3.24Å; P456-V459 VanDerWaalsContact O-N 3.16Å; V459-S461 VanDerWaalsContact C-N 3.26Å; V459-S461 PolarHBondContact O-N 3.15Å; V459-Y462 PolarHBondContact O-N 3.3Å
460E80.6Confident85.2Confident163 Ų16359.7 Ų59.776%0.76230%0.297SS*.THydrogen-bonded Turntrans-68.5-25.7172.9-73.1175.8-175.700113.1P456 Y462P456-E460 WeakPolarHBondContact O-CG 3.45Å; P456-E460 PolarHBondContact O-N 2.78Å; E460-Y462 VanDerWaalsContact C-N 3.33Å
461S74Confident84.6Confident83 Ų8363.6 Ų63.658%0.5832%0.316SS*.THydrogen-bonded Turntrans-85.3-5.517771.50000114.3E457 I458 V459E457-S461 PolarHBondContact O-OG 2.98Å; I458-S461 PolarHBondContact O-N 2.95Å; I458-S461 PolarHBondContact O-OG 3.06Å; V459-S461 VanDerWaalsContact C-N 3.26Å; V459-S461 PolarHBondContact O-N 3.15Å
462Y66.3Low84Confident162 Ų16269.4 Ų69.464%0.63535%0.345SS*.  trans-97.80175.7173.3-97000110.2I406 L407 I458 V459 E460I406-Y462 WeakPolarHBondContact O-CD2 3.3Å; L407-Y462 HydrophobicContact CB-CD1 4.34Å; L407-Y462 HydrophobicContact CB-CD2 3.74Å; L407-Y462 HydrophobicContact CB-CE1 4.23Å; L407-Y462 HydrophobicContact CB-CE2 3.6Å; L407-Y462 HydrophobicContact CB-CG 4.09Å; L407-Y462 HydrophobicContact CD1-CD1 3.93Å; L407-Y462 HydrophobicContact CD1-CD2 4.14Å; L407-Y462 HydrophobicContact CD1-CG 3.69Å; L407-Y462 HydrophobicContact CG-CD2 4.29Å; L407-Y462 HydrophobicContact CG-CG 4.34Å; L407-Y462 WeakPolarHBondContact O-CE2 3.41Å; L407-Y462 VanDerWaalsContact O-CZ 3.22Å; L407-Y462 PolarHBondContact O-OH 3.18Å; I458-Y462 PolarHBondContact O-N 3.37Å; V459-Y462 PolarHBondContact O-N 3.3Å; E460-Y462 VanDerWaalsContact C-N 3.33Å

Retrieved 462 of 462 residues in 480 ms (Link to these results)

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