A0A096NRN5_PAPAN Loading...

Flap endonuclease GEN homolog 1

AlphaFold DB , UniProt , Accession A0A096NRN5, Species PAPAN (Papio anubis, Olive baboon), Gene GEN1, Length 906 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
1M70.6Confident90Very high100 Ų10043.5 Ų43.549%0.49321%0.214SC..  087.10-61.3-32.1-58.500103.2R89 D155M1-R89 PolarHBondContact SD-NH1 3.38Å; M1-R89 PolarHBondContact SD-NH2 3.01Å; M1-D155 VanDerWaalsContact C-OD1 3.31Å; M1-D155 WeakPolarHBondContact CA-OD2 3.31Å; M1-D155 VanDerWaalsContact CB-OD2 3.24Å; M1-D155 WeakPolarHBondContact CB-OD2 3.29Å; M1-D155 WeakPolarHBondContact CE-OD2 3.25Å
2G85.3Confident90.4Very high4 Ų447.8 Ų47.84%0.04125%0.248CC..  trans71.6-170.8-165.900000114D155 D157 D208G2-D155 WeakPolarHBondContact CA-OD1 3.44Å; G2-D155 VanDerWaalsContact N-CG 3.31Å; G2-D155 PolarHBondContact N-OD1 2.96Å; G2-D155 PolarHBondContact N-OD2 3.35Å; G2-D157 WeakPolarHBondContact CA-OD1 3.25Å; G2-D208 PolarHBondContact N-OD1 2.91Å; G2-D208 VanDerWaalsContact N-OD1 3.1Å
3V90.9Very high90.8Very high7 Ų744.2 Ų44.24%0.04223%0.229CC..SBendtrans-42.4131-174.9-169.60000115L6 D157 L160 A202 G206 C207V3-L6 HydrophobicContact CB-CB 3.66Å; V3-L6 HydrophobicContact CB-CD2 3.8Å; V3-L6 HydrophobicContact CB-CG 4.34Å; V3-L6 HydrophobicContact CG1-CB 3.87Å; V3-L6 HydrophobicContact CG2-CD2 3.83Å; V3-D157 WeakPolarHBondContact CG2-OD1 3.3Å; V3-D157 PolarHBondContact N-OD1 3.17Å; V3-L160 HydrophobicContact CG2-CD1 3.97Å; V3-L160 HydrophobicContact CG2-CD2 3.62Å; V3-L160 HydrophobicContact CG2-CG 4.46Å; V3-A202 HydrophobicContact CB-CB 4.35Å; V3-A202 HydrophobicContact CG1-CB 3.88Å; V3-A202 HydrophobicContact CG2-CB 3.54Å; V3-G206 WeakPolarHBondContact CA-O 3.44Å; V3-C207 HydrophobicContact CG2-CB 4.16Å
4N90.8Very high91.2Very high76 Ų7645.9 Ų45.941%0.40623%0.234SC..THydrogen-bonded Turntrans-59.9139.3173.4-68.1-35.5000111.6L6 L205 G206N4-L6 PolarHBondContact O-N 2.93Å; N4-L205 HydrophobicContact CB-CB 4.24Å; N4-L205 WeakPolarHBondContact CB-O 3.36Å; N4-L205 PolarHBondContact ND2-O 2.75Å; N4-L205 VanDerWaalsContact O-CD1 3.32Å; N4-L205 WeakPolarHBondContact O-CD1 3.48Å; N4-G206 PolarHBondContact N-O 3.18Å; N4-G206 PolarHBondContact ND2-O 2.81Å
5D91.6Very high91.5Very high59 Ų5948 Ų4832%0.31624%0.243SC..THydrogen-bonded Turntrans55.5-7.1-177.7-74.7-16.7000117.5W7 Q8 I9 L205 K219D5-W7 VanDerWaalsContact C-N 3.35Å; D5-W7 PolarHBondContact O-N 3.46Å; D5-Q8 WeakPolarHBondContact O-CA 3.42Å; D5-Q8 WeakPolarHBondContact O-CB 3.41Å; D5-Q8 PolarHBondContact O-N 2.88Å; D5-Q8 PolarHBondContact OD1-NE2 3.39Å; D5-I9 PolarHBondContact O-N 2.84Å; D5-L205 HydrophobicContact CB-CD1 4.28Å; D5-K219 HydrophobicContact CB-CB 4.11Å; D5-K219 HydrophobicContact CB-CD 4.3Å; D5-K219 WeakPolarHBondContact OD2-CD 3.4Å
6L93.2Very high91.8Very high2 Ų250.7 Ų50.71%0.0125%0.254CS..Hα-helixtrans-54.3-45.5-174.2174.863.5000113.1V3 N4 Q8 I9 L10 L160 L198 L201V3-L6 HydrophobicContact CB-CB 3.66Å; V3-L6 HydrophobicContact CB-CD2 3.8Å; V3-L6 HydrophobicContact CB-CG 4.34Å; V3-L6 HydrophobicContact CG1-CB 3.87Å; V3-L6 HydrophobicContact CG2-CD2 3.83Å; N4-L6 PolarHBondContact O-N 2.93Å; L6-Q8 PolarHBondContact O-N 3.5Å; L6-I9 CarbonylContact O-C 3.6Å; L6-I9 WeakPolarHBondContact O-CA 3.37Å; L6-I9 WeakPolarHBondContact O-CB 3.49Å; L6-I9 PolarHBondContact O-N 3.49Å; L6-L10 HydrophobicContact CD1-CD1 3.93Å; L6-L10 HydrophobicContact CD1-CD2 4.23Å; L6-L10 HydrophobicContact CD1-CG 3.84Å; L6-L10 HydrophobicContact CG-CD1 4.02Å; L6-L10 HydrophobicContact CG-CG 4.23Å; L6-L10 WeakPolarHBondContact O-CG 3.28Å; L6-L10 PolarHBondContact O-N 3.2Å; L6-L160 HydrophobicContact CD2-CD1 4.31Å; L6-L198 HydrophobicContact CD1-CD2 3.94Å; L6-L201 HydrophobicContact CD1-CD2 4.12Å
7W93.8Very high92Very high35 Ų3549.2 Ų49.213%0.13325%0.247CC..Hα-helixtrans-61.4-30.2177.7-69.2121.2000113.5D5 I9 L10 E11 N154 D155 F159 V166 R168 Y182D5-W7 VanDerWaalsContact C-N 3.35Å; D5-W7 PolarHBondContact O-N 3.46Å; W7-I9 VanDerWaalsContact C-N 3.33Å; W7-L10 HydrophobicContact CE3-CD1 4.39Å; W7-L10 HydrophobicContact CZ3-CD1 4.27Å; W7-L10 PolarHBondContact O-N 2.99Å; W7-E11 PolarHBondContact O-N 3.17Å; W7-N154 PolarHBondContact NE1-O 3.34Å; W7-D155 WeakPolarHBondContact CZ2-O 3.46Å; W7-F159 HydrophobicContact CH2-CE2 4.19Å; W7-F159 HydrophobicContact CZ3-CE2 4.36Å; W7-V166 HydrophobicContact CH2-CG1 4.28Å; W7-R168 VanDerWaalsContact CE2-CD 3.46Å; W7-R168 VanDerWaalsContact CH2-CD 3.48Å; W7-Y182 HydrophobicContact CE3-CE1 4.11Å; W7-Y182 HydrophobicContact CE3-CE2 4.09Å; W7-Y182 AromaticContact CE3-CZ 3.85Å; W7-Y182 HydrophobicContact CH2-CD2 4.47Å; W7-Y182 HydrophobicContact CZ3-CD1 4.16Å; W7-Y182 AromaticContact CZ3-CD2 3.73Å; W7-Y182 HydrophobicContact CZ3-CD2 3.73Å; W7-Y182 HydrophobicContact CZ3-CE1 4.1Å; W7-Y182 AromaticContact CZ3-CE2 3.66Å; W7-Y182 HydrophobicContact CZ3-CE2 3.66Å; W7-Y182 AromaticContact CZ3-CG 3.98Å; W7-Y182 HydrophobicContact CZ3-CG 3.98Å; W7-Y182 AromaticContact CZ3-CZ 3.85Å
8Q92.9Very high92.1Very high104 Ų10447.7 Ų47.749%0.48624%0.241SC..Hα-helixtrans-72.6-29.3173.8-58.8168.840.800112D5 L6D5-Q8 WeakPolarHBondContact O-CA 3.42Å; D5-Q8 WeakPolarHBondContact O-CB 3.41Å; D5-Q8 PolarHBondContact O-N 2.88Å; D5-Q8 PolarHBondContact OD1-NE2 3.39Å; L6-Q8 PolarHBondContact O-N 3.5Å
9I92.2Very high92.1Very high12 Ų1245.3 Ų45.36%0.06223%0.229CC..Hα-helixtrans-75.4-34.7175.9-64.4172.1000110.7D5 L6 W7 P12 L191 L193 L201 L205 K219 L223D5-I9 PolarHBondContact O-N 2.84Å; L6-I9 CarbonylContact O-C 3.6Å; L6-I9 WeakPolarHBondContact O-CA 3.37Å; L6-I9 WeakPolarHBondContact O-CB 3.49Å; L6-I9 PolarHBondContact O-N 3.49Å; W7-I9 VanDerWaalsContact C-N 3.33Å; I9-P12 WeakPolarHBondContact O-CD 3.4Å; I9-L191 WeakPolarHBondContact O-CD1 3.11Å; I9-L193 HydrophobicContact CG2-CD1 4.16Å; I9-L201 HydrophobicContact CD1-CD1 4.16Å; I9-L201 HydrophobicContact CD1-CD2 3.94Å; I9-L201 HydrophobicContact CD1-CG 4.5Å; I9-L205 HydrophobicContact CD1-CD1 3.84Å; I9-K219 HydrophobicContact CD1-CB 4.06Å; I9-K219 HydrophobicContact CG1-CB 4.38Å; I9-L223 HydrophobicContact CG1-CD1 4.3Å; I9-L223 HydrophobicContact CG2-CD2 3.94Å
10L94.4Very high92Very high0 Ų051.6 Ų51.60%025%0.25CC..Hα-helixtrans-86.7-15.3179.1-59-172.5000114.4L6 W7 P12 V13 K14 F159 Y182 I187 L191 L193L6-L10 HydrophobicContact CD1-CD1 3.93Å; L6-L10 HydrophobicContact CD1-CD2 4.23Å; L6-L10 HydrophobicContact CD1-CG 3.84Å; L6-L10 HydrophobicContact CG-CD1 4.02Å; L6-L10 HydrophobicContact CG-CG 4.23Å; L6-L10 WeakPolarHBondContact O-CG 3.28Å; L6-L10 PolarHBondContact O-N 3.2Å; W7-L10 HydrophobicContact CE3-CD1 4.39Å; W7-L10 HydrophobicContact CZ3-CD1 4.27Å; W7-L10 PolarHBondContact O-N 2.99Å; L10-P12 VanDerWaalsContact C-N 3.31Å; L10-V13 HydrophobicContact CB-CG2 4.41Å; L10-V13 WeakPolarHBondContact O-CG2 3.45Å; L10-V13 PolarHBondContact O-N 3.38Å; L10-K14 PolarHBondContact O-N 3.18Å; L10-F159 HydrophobicContact CD1-CD2 4.17Å; L10-F159 HydrophobicContact CD1-CE2 4.09Å; L10-Y182 HydrophobicContact CB-CD1 3.95Å; L10-Y182 HydrophobicContact CB-CE1 3.97Å; L10-Y182 WeakPolarHBondContact O-CE1 3.47Å; L10-I187 HydrophobicContact CD1-CD1 4.12Å; L10-I187 HydrophobicContact CD2-CD1 4.12Å; L10-I187 HydrophobicContact CD2-CG1 4.09Å; L10-I187 HydrophobicContact CD2-CG2 4.2Å; L10-L191 HydrophobicContact CD2-CD1 3.88Å; L10-L193 HydrophobicContact CD2-CD1 4.37Å
11E94.5Very high92.1Very high79 Ų7953.7 Ų53.737%0.36926%0.262SS..G310 helixtrans-53.6-35.5-178.4-159.967.9176.800114.6W7 V13 K14 Y182W7-E11 PolarHBondContact O-N 3.17Å; E11-V13 PolarHBondContact O-N 2.91Å; E11-V13 VanDerWaalsContact O-N 3.15Å; E11-K14 VanDerWaalsContact O-CB 3.27Å; E11-K14 WeakPolarHBondContact O-CB 3.45Å; E11-K14 PolarHBondContact O-N 3.47Å; E11-K14 VanDerWaalsContact OE1-CD 3.28Å; E11-K14 WeakPolarHBondContact OE1-CD 3.36Å; E11-K14 WeakPolarHBondContact OE1-CE 3.34Å; E11-K14 IonicContact OE1-NZ 3.43Å; E11-K14 PolarHBondContact OE1-NZ 3.15Å; E11-K14 WeakPolarHBondContact OE2-CD 3.38Å; E11-Y182 PolarHBondContact OE2-OH 3.27Å
12P94.6Very high93.3Very high95 Ų9549.1 Ų49.162%0.61724%0.239SC*.G310 helixtrans-65.8-11.3174.7-22.535.1000115.7I9 L10I9-P12 WeakPolarHBondContact O-CD 3.4Å; L10-P12 VanDerWaalsContact C-N 3.31Å
13V95.5Very high93.7Very high1 Ų150.7 Ų50.71%0.00626%0.256CS..G310 helixtrans-109.4-2.1177.4-54.50000114.3L10 E11 Y182 T186 I187 K190 L191L10-V13 HydrophobicContact CB-CG2 4.41Å; L10-V13 WeakPolarHBondContact O-CG2 3.45Å; L10-V13 PolarHBondContact O-N 3.38Å; E11-V13 PolarHBondContact O-N 2.91Å; E11-V13 VanDerWaalsContact O-N 3.15Å; V13-Y182 HydrophobicContact CG2-CD1 4.34Å; V13-T186 HydrophobicContact CB-CG2 3.86Å; V13-T186 HydrophobicContact CG1-CG2 4.26Å; V13-I187 HydrophobicContact CG2-CG1 3.76Å; V13-K190 HydrophobicContact CG1-CB 3.74Å; V13-K190 HydrophobicContact CG1-CD 3.96Å; V13-K190 HydrophobicContact CG1-CG 4.42Å; V13-L191 HydrophobicContact CG1-CD1 3.78Å; V13-L191 HydrophobicContact CG1-CD2 4.15Å; V13-L191 HydrophobicContact CG1-CG 3.66Å; V13-L191 HydrophobicContact CG2-CD1 4.27Å
14K95.8Very high93.8Very high68 Ų6852.8 Ų52.830%0.29628%0.279SS..  trans-55141.7174.2170.7169.2139.4163.30112.3L10 E11 D180 Y182L10-K14 PolarHBondContact O-N 3.18Å; E11-K14 VanDerWaalsContact O-CB 3.27Å; E11-K14 WeakPolarHBondContact O-CB 3.45Å; E11-K14 PolarHBondContact O-N 3.47Å; E11-K14 VanDerWaalsContact OE1-CD 3.28Å; E11-K14 WeakPolarHBondContact OE1-CD 3.36Å; E11-K14 WeakPolarHBondContact OE1-CE 3.34Å; E11-K14 IonicContact OE1-NZ 3.43Å; E11-K14 PolarHBondContact OE1-NZ 3.15Å; E11-K14 WeakPolarHBondContact OE2-CD 3.38Å; K14-D180 HydrophobicContact CD-CB 3.98Å; K14-D180 VanDerWaalsContact CD-CG 3.48Å; K14-D180 WeakPolarHBondContact CE-OD1 3.42Å; K14-D180 WeakPolarHBondContact CE-OD2 3.47Å; K14-D180 HydrophobicContact CG-CB 4.09Å; K14-D180 VanDerWaalsContact NZ-CG 3.28Å; K14-D180 IonicContact NZ-OD1 3.99Å; K14-D180 PolarHBondContact NZ-OD1 2.95Å; K14-D180 IonicContact NZ-OD2 3.52Å; K14-D180 PolarHBondContact NZ-OD2 3.32Å; K14-Y182 HydrophobicContact CB-CD1 4.29Å; K14-Y182 HydrophobicContact CB-CE1 3.68Å; K14-Y182 HydrophobicContact CG-CE1 4.4Å
15Q96.6Very high94.1Very high78 Ų7851.8 Ų51.836%0.36427%0.271SS..EExtended strand (participates in β ladder)trans-124.7115.7172.2-56.3178.618.500108.2I17 C181 T186Q15-I17 HydrophobicContact CB-CG1 4.4Å; Q15-I17 PolarHBondContact O-N 2.99Å; Q15-C181 HydrophobicContact CB-CB 4.32Å; Q15-C181 PolarHBondContact N-O 3.43Å; Q15-C181 WeakPolarHBondContact O-CB 3.45Å; Q15-C181 PolarHBondContact O-N 2.97Å; Q15-T186 PolarHBondContact NE2-OG1 3.03Å
16H96.1Very high94.4Very high91 Ų9150.3 Ų50.342%0.42126%0.264SS..EExtended strand (participates in β ladder)trans-70.8120.4172.1178.4-82.9000108.6D176 H178H16-D176 IonicContact CE1-OD1 2.74Å; H16-D176 PolarHBondContact CE1-OD1 3.01Å; H16-D176 IonicContact CE1-OD2 2.78Å; H16-D176 IonicContact NE2-OD1 2.72Å; H16-D176 PolarHBondContact NE2-OD1 2.6Å; H16-D176 IonicContact NE2-OD2 3.74Å; H16-D176 PolarHBondContact NE2-OD2 3.31Å; H16-H178 AromaticContact CD2-CD2 3.41Å; H16-H178 PolarHBondContact CD2-CD2 2.9Å; H16-H178 VanDerWaalsContact CD2-CD2 3.41Å; H16-H178 AromaticContact CD2-CG 3.61Å; H16-H178 AromaticContact CD2-NE2 3.79Å; H16-H178 AromaticContact CE1-CG 3.92Å; H16-H178 WeakPolarHBondContact NE2-CB 3.34Å; H16-H178 AromaticContact NE2-CD2 3.51Å; H16-H178 AromaticContact NE2-CE1 3.75Å; H16-H178 AromaticContact NE2-CG 3.19Å; H16-H178 AromaticContact NE2-ND1 3.38Å; H16-H178 PolarHBondContact NE2-ND1 3.35Å; H16-H178 AromaticContact NE2-NE2 3.87Å
17I95.5Very high94.7Very high26 Ų2650.3 Ų50.313%0.13326%0.264CS..EExtended strand (participates in β ladder)trans-123.6112.7-177.7-62-168.3000109Q15 N21 L22 H178 V179 C181Q15-I17 HydrophobicContact CB-CG1 4.4Å; Q15-I17 PolarHBondContact O-N 2.99Å; I17-N21 HydrophobicContact CG2-CB 3.74Å; I17-L22 HydrophobicContact CG2-CD2 3.97Å; I17-H178 CarbonylContact O-C 3.53Å; I17-H178 WeakPolarHBondContact O-CA 3.5Å; I17-V179 HydrophobicContact CB-CG2 4.26Å; I17-V179 PolarHBondContact N-O 3.48Å; I17-V179 PolarHBondContact O-N 2.95Å; I17-C181 HydrophobicContact CD1-CB 3.39Å; I17-C181 HydrophobicContact CG1-CB 3.81Å
18P94.2Very high94.9Very high22 Ų2248.6 Ų48.614%0.14326%0.257CS..EExtended strand (participates in β ladder)trans-59.2139.8171.2-24.635000111.3R20 N21 P177P18-R20 HydrophobicContact CB-CG 4.26Å; P18-R20 PolarHBondContact O-N 3.36Å; P18-N21 WeakPolarHBondContact O-CB 3.47Å; P18-N21 PolarHBondContact O-N 3.37Å; P18-P177 WeakPolarHBondContact CA-O 3.26Å
19L92.3Very high95.1Very high1 Ų143.7 Ų43.71%0.00523%0.234CC..G310 helixtrans-57.3-30.8-170.7-68.1178.9000114N21 L22 Y62 M66 F170 T171 M172 P177 V179L19-N21 PolarHBondContact O-N 3.32Å; L19-L22 HydrophobicContact CD2-CD1 3.76Å; L19-L22 VanDerWaalsContact O-CB 3.3Å; L19-L22 WeakPolarHBondContact O-CB 3.22Å; L19-L22 WeakPolarHBondContact O-CG 3.33Å; L19-L22 PolarHBondContact O-N 3.03Å; L19-Y62 HydrophobicContact CB-CE1 4.46Å; L19-Y62 HydrophobicContact CD1-CD1 4.16Å; L19-Y62 HydrophobicContact CD1-CE1 3.71Å; L19-M66 VanDerWaalsContact C-SD 3.51Å; L19-M66 HydrophobicContact CB-CE 4.32Å; L19-M66 HydrophobicContact CB-SD 3.46Å; L19-M66 WeakPolarHBondContact CB-SD 3.21Å; L19-F170 HydrophobicContact CD1-CD2 4.19Å; L19-F170 HydrophobicContact CD1-CE2 3.58Å; L19-F170 HydrophobicContact CD1-CZ 4.22Å; L19-F170 HydrophobicContact CD2-CD2 3.74Å; L19-F170 HydrophobicContact CD2-CE2 3.77Å; L19-F170 HydrophobicContact CG-CE2 4.37Å; L19-T171 WeakPolarHBondContact CD1-O 3.42Å; L19-M172 HydrophobicContact CD1-CG 4.49Å; L19-P177 HydrophobicContact CD1-CB 4.13Å; L19-P177 HydrophobicContact CG-CB 4.49Å; L19-P177 PolarHBondContact N-O 3.23Å; L19-V179 HydrophobicContact CD2-CG1 3.87Å; L19-V179 HydrophobicContact CD2-CG2 4.3Å
20R90Very high95.3Very high172 Ų17243.5 Ų43.565%0.64923%0.233SC*.G310 helixtrans-59.5-24.217468.9-176.2178.7-95.6-3.7114.1P18 L22 M66P18-R20 HydrophobicContact CB-CG 4.26Å; P18-R20 PolarHBondContact O-N 3.36Å; R20-L22 PolarHBondContact O-N 2.94Å; R20-M66 HydrophobicContact CB-CE 4.45Å
21N93.8Very high95.3Very high96 Ų9643.5 Ų43.551%0.51323%0.234SC..G310 helixtrans-82.75.7177.2-66.529.3000112.4I17 P18 L19I17-N21 HydrophobicContact CG2-CB 3.74Å; P18-N21 WeakPolarHBondContact O-CB 3.47Å; P18-N21 PolarHBondContact O-N 3.37Å; L19-N21 PolarHBondContact O-N 3.32Å
22L95.1Very high95.1Very high3 Ų340.4 Ų40.42%0.01622%0.221CC..G310 helixtrans-96-4.5173.2-55.9179.1000113.1I17 L19 R20 K25 I27 V68 Y167 V179I17-L22 HydrophobicContact CG2-CD2 3.97Å; L19-L22 HydrophobicContact CD2-CD1 3.76Å; L19-L22 VanDerWaalsContact O-CB 3.3Å; L19-L22 WeakPolarHBondContact O-CB 3.22Å; L19-L22 WeakPolarHBondContact O-CG 3.33Å; L19-L22 PolarHBondContact O-N 3.03Å; R20-L22 PolarHBondContact O-N 2.94Å; L22-K25 HydrophobicContact CD2-CD 4.4Å; L22-K25 WeakPolarHBondContact O-CB 3.45Å; L22-K25 WeakPolarHBondContact O-CG 3.05Å; L22-K25 PolarHBondContact O-N 3.38Å; L22-K25 VanDerWaalsContact O-N 3.14Å; L22-I27 HydrophobicContact CD1-CD1 4.07Å; L22-V68 HydrophobicContact CB-CG2 3.61Å; L22-Y167 HydrophobicContact CD2-CD1 4.14Å; L22-Y167 HydrophobicContact CD2-CE1 3.56Å; L22-V179 HydrophobicContact CD1-CG2 3.93Å; L22-V179 HydrophobicContact CD2-CG2 4.25Å; L22-V179 HydrophobicContact CG-CG2 4.5Å
23G94Very high94.9Very high38 Ų3837.5 Ų37.539%0.39220%0.2SC..THydrogen-bonded Turntrans-57.2142.6-177.200000113.8K25 M66G23-K25 PolarHBondContact O-N 2.92Å; G23-M66 WeakPolarHBondContact CA-O 2.73Å
24G93.6Very high94.7Very high50 Ų5038.3 Ų38.352%0.51520%0.203SC..THydrogen-bonded Turntrans82.3-16.9-17300000114.5D67G24-D67 PolarHBondContact N-O 3.31Å
25K97.1Very high94.4Very high56 Ų5635.2 Ų35.224%0.24319%0.189CC..  trans-81.8152.5-178.1-60.8179.6178.1171.30113L22 G23 K69 D149 Y167L22-K25 HydrophobicContact CD2-CD 4.4Å; L22-K25 WeakPolarHBondContact O-CB 3.45Å; L22-K25 WeakPolarHBondContact O-CG 3.05Å; L22-K25 PolarHBondContact O-N 3.38Å; L22-K25 VanDerWaalsContact O-N 3.14Å; G23-K25 PolarHBondContact O-N 2.92Å; K25-K69 PolarHBondContact O-N 3.33Å; K25-D149 WeakPolarHBondContact CA-OD2 3.38Å; K25-D149 HydrophobicContact CB-CB 4.11Å; K25-D149 HydrophobicContact CD-CB 4.4Å; K25-D149 HydrophobicContact CG-CB 4.25Å; K25-Y167 WeakPolarHBondContact CD-OH 3.23Å; K25-Y167 PolarHBondContact NZ-OH 3.1Å
26T98.1Very high94Very high27 Ų2734 Ų3417%0.16619%0.189CC..EExtended strand (participates in β ladder)trans-104.7130.9167-47.90000109.4K69 V71 V148 D149T26-K69 CarbonylContact C-O 3.5Å; T26-K69 VanDerWaalsContact CA-O 3.3Å; T26-K69 WeakPolarHBondContact CA-O 3.37Å; T26-K69 HydrophobicContact CG2-CB 4.02Å; T26-V71 HydrophobicContact CG2-CG2 3.96Å; T26-V148 HydrophobicContact CG2-CG1 4Å; T26-V148 CarbonylContact O-C 3.36Å; T26-V148 WeakPolarHBondContact O-CB 3.25Å; T26-D149 PolarHBondContact N-OD2 3.27Å; T26-D149 PolarHBondContact O-N 2.98Å
27I98.3Very high93.5Very high2 Ų230.2 Ų30.21%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-127130-174.7-62.3-175.9000110.4L22 V29 V68 K69 L70 V71 G150 L152 Y167L22-I27 HydrophobicContact CD1-CD1 4.07Å; I27-V29 HydrophobicContact CG2-CG2 4.36Å; I27-V68 HydrophobicContact CB-CG1 4.44Å; I27-V68 HydrophobicContact CD1-CG1 3.71Å; I27-V68 HydrophobicContact CG1-CG1 4Å; I27-K69 PolarHBondContact N-O 3.42Å; I27-L70 HydrophobicContact CB-CD2 4.32Å; I27-L70 CarbonylContact O-C 3.36Å; I27-L70 WeakPolarHBondContact O-CA 3.46Å; I27-V71 PolarHBondContact O-N 3.49Å; I27-G150 WeakPolarHBondContact CA-O 2.97Å; I27-L152 HydrophobicContact CG2-CB 3.58Å; I27-Y167 HydrophobicContact CD1-CD2 3.93Å; I27-Y167 HydrophobicContact CD1-CE2 3.78Å; I27-Y167 HydrophobicContact CG1-CD2 4.44Å; I27-Y167 HydrophobicContact CG1-CE2 4.12Å; I27-Y167 HydrophobicContact CG2-CD2 4.39Å
28A98.2Very high93Very high0 Ų029.1 Ų29.10%017%0.166CC..EExtended strand (participates in β ladder)trans-78.6134.716800000110V71 V73 C139 L142 V148 G150 C151 L152A28-V71 CarbonylContact C-O 3.56Å; A28-V71 VanDerWaalsContact CA-O 3.26Å; A28-V71 WeakPolarHBondContact CA-O 3.32Å; A28-V73 HydrophobicContact CB-CG2 4.39Å; A28-C139 HydrophobicContact CB-CB 4.47Å; A28-L142 HydrophobicContact CB-CD1 4Å; A28-V148 HydrophobicContact CB-CB 4.43Å; A28-V148 HydrophobicContact CB-CG1 4.11Å; A28-V148 HydrophobicContact CB-CG2 3.83Å; A28-G150 PolarHBondContact N-O 3.15Å; A28-C151 CarbonylContact O-C 3.47Å; A28-C151 WeakPolarHBondContact O-CA 3.43Å; A28-L152 PolarHBondContact O-N 2.8Å
29V97.8Very high92.2Very high0 Ų031.8 Ų31.80%018%0.177CC..EExtended strand (participates in β ladder)trans-123126.3-177-173.80000110.1I27 L31 W34 L70 V71 F72 V73 L152I27-V29 HydrophobicContact CG2-CG2 4.36Å; V29-L31 PolarHBondContact O-N 3.22Å; V29-W34 HydrophobicContact CG1-CD2 3.97Å; V29-W34 HydrophobicContact CG1-CE3 4.36Å; V29-W34 HydrophobicContact CG1-CH2 4.12Å; V29-W34 HydrophobicContact CG1-CZ2 3.73Å; V29-W34 HydrophobicContact CG1-CZ3 4.43Å; V29-L70 HydrophobicContact CG2-CB 4.5Å; V29-L70 HydrophobicContact CG2-CD2 4.01Å; V29-V71 PolarHBondContact N-O 2.83Å; V29-F72 HydrophobicContact CB-CD1 3.83Å; V29-F72 HydrophobicContact CB-CE1 3.81Å; V29-F72 HydrophobicContact CB-CG 4.48Å; V29-F72 HydrophobicContact CB-CZ 4.44Å; V29-F72 HydrophobicContact CG1-CD1 4Å; V29-F72 HydrophobicContact CG1-CE1 3.68Å; V29-F72 HydrophobicContact CG1-CZ 4.5Å; V29-F72 HydrophobicContact CG2-CE1 4.32Å; V29-F72 HydrophobicContact CG2-CZ 4.48Å; V29-V73 PolarHBondContact O-N 3.03Å; V29-L152 HydrophobicContact CG2-CB 4.33Å; V29-L152 HydrophobicContact CG2-CD2 4.35Å
30D95.4Very high91.4Very high8 Ų835.6 Ų35.64%0.04320%0.2CC..EExtended strand (participates in β ladder)trans-72.5110168.3-175-10.1000110.1S32 L33 A135 L152D30-S32 VanDerWaalsContact C-N 3.33Å; D30-S32 VanDerWaalsContact CG-OG 3.25Å; D30-S32 WeakPolarHBondContact OD1-CA 3.49Å; D30-S32 WeakPolarHBondContact OD1-CB 3.37Å; D30-S32 PolarHBondContact OD1-N 3.43Å; D30-S32 PolarHBondContact OD1-OG 3.36Å; D30-S32 PolarHBondContact OD2-OG 2.99Å; D30-S32 VanDerWaalsContact OD2-OG 3.05Å; D30-L33 HydrophobicContact CB-CD1 4.19Å; D30-L33 HydrophobicContact CB-CG 4.29Å; D30-L33 WeakPolarHBondContact OD2-CG 3.43Å; D30-A135 HydrophobicContact CB-CB 4.29Å; D30-A135 VanDerWaalsContact CG-CB 3.49Å; D30-L152 PolarHBondContact N-O 2.8Å
31L94.8Very high90.7Very high1 Ų128.2 Ų28.21%0.00518%0.175CC..Hα-helixtrans-69.3-30.6178.6-175.160.5000112.4V29 L33 W34 V35 L56 F72 V73 L114 C117 L118 L121V29-L31 PolarHBondContact O-N 3.22Å; L31-L33 PolarHBondContact O-N 3.15Å; L31-W34 PolarHBondContact O-N 2.82Å; L31-V35 WeakPolarHBondContact O-CG2 3.31Å; L31-V35 PolarHBondContact O-N 2.93Å; L31-L56 HydrophobicContact CD1-CD1 3.94Å; L31-L56 HydrophobicContact CD1-CD2 4.16Å; L31-F72 HydrophobicContact CB-CD1 4.22Å; L31-F72 HydrophobicContact CD1-CD1 3.92Å; L31-F72 HydrophobicContact CD1-CE1 4.3Å; L31-V73 WeakPolarHBondContact CB-O 3.3Å; L31-V73 PolarHBondContact N-O 3.4Å; L31-L114 HydrophobicContact CB-CD2 4.42Å; L31-L114 HydrophobicContact CD2-CD2 4.03Å; L31-L114 HydrophobicContact CG-CD2 3.84Å; L31-C117 HydrophobicContact CD1-CB 3.98Å; L31-C117 HydrophobicContact CD2-CB 3.87Å; L31-C117 HydrophobicContact CG-CB 4.3Å; L31-L118 HydrophobicContact CD2-CD2 3.72Å; L31-L121 HydrophobicContact CD2-CD1 4.46Å
32S90.5Very high89.3Confident14 Ų1432.3 Ų32.310%0.09819%0.188CC..Hα-helixtrans-64.2-40.9-178.282.80000111.6D30 C36D30-S32 VanDerWaalsContact C-N 3.33Å; D30-S32 VanDerWaalsContact CG-OG 3.25Å; D30-S32 WeakPolarHBondContact OD1-CA 3.49Å; D30-S32 WeakPolarHBondContact OD1-CB 3.37Å; D30-S32 PolarHBondContact OD1-N 3.43Å; D30-S32 PolarHBondContact OD1-OG 3.36Å; D30-S32 PolarHBondContact OD2-OG 2.99Å; D30-S32 VanDerWaalsContact OD2-OG 3.05Å; S32-C36 WeakPolarHBondContact O-CB 3.15Å; S32-C36 PolarHBondContact O-N 3.34Å; S32-C36 PolarHBondContact O-SG 3.28Å
33L89.6Confident87.8Confident33 Ų3339.3 Ų39.317%0.17322%0.218CC..Hα-helixtrans-67.3-43.8177.2-69.2179.8000111.8D30 L31 V35 C36 E37 T153 D155D30-L33 HydrophobicContact CB-CD1 4.19Å; D30-L33 HydrophobicContact CB-CG 4.29Å; D30-L33 WeakPolarHBondContact OD2-CG 3.43Å; L31-L33 PolarHBondContact O-N 3.15Å; L33-V35 PolarHBondContact O-N 2.9Å; L33-C36 PolarHBondContact O-N 3.49Å; L33-E37 VanDerWaalsContact O-CB 3.28Å; L33-E37 WeakPolarHBondContact O-CB 3.43Å; L33-E37 PolarHBondContact O-N 3.06Å; L33-T153 WeakPolarHBondContact CD1-OG1 3.42Å; L33-D155 HydrophobicContact CD1-CB 4.46Å
34W91.1Very high86.2Confident18 Ų1838.5 Ų38.57%0.06820%0.204CC..Hα-helixtrans-64-39.7177.7-80.422.2000112.5V29 L31 A38 L56 R59 L63 F72 L152 F170V29-W34 HydrophobicContact CG1-CD2 3.97Å; V29-W34 HydrophobicContact CG1-CE3 4.36Å; V29-W34 HydrophobicContact CG1-CH2 4.12Å; V29-W34 HydrophobicContact CG1-CZ2 3.73Å; V29-W34 HydrophobicContact CG1-CZ3 4.43Å; L31-W34 PolarHBondContact O-N 2.82Å; W34-A38 WeakPolarHBondContact O-CB 3.39Å; W34-A38 PolarHBondContact O-N 2.73Å; W34-L56 HydrophobicContact CE3-CD1 3.83Å; W34-L56 HydrophobicContact CZ3-CD1 3.98Å; W34-R59 HydrophobicContact CE3-CB 4.27Å; W34-R59 VanDerWaalsContact CG-NH1 3.34Å; W34-R59 HydrophobicContact CH2-CB 3.53Å; W34-R59 HydrophobicContact CH2-CG 4.19Å; W34-R59 HydrophobicContact CZ2-CB 4.42Å; W34-R59 HydrophobicContact CZ3-CB 3.43Å; W34-R59 VanDerWaalsContact CZ3-CB 3.43Å; W34-R59 HydrophobicContact CZ3-CG 4.14Å; W34-L63 HydrophobicContact CH2-CD1 4Å; W34-L63 HydrophobicContact CZ2-CD1 4.49Å; W34-F72 AromaticContact CE3-CE1 3.94Å; W34-F72 HydrophobicContact CE3-CE1 3.94Å; W34-F72 HydrophobicContact CE3-CZ 4.44Å; W34-F72 HydrophobicContact CH2-CE1 4.42Å; W34-F72 HydrophobicContact CH2-CZ 4.38Å; W34-F72 AromaticContact CZ3-CE1 3.78Å; W34-F72 HydrophobicContact CZ3-CE1 3.78Å; W34-F72 AromaticContact CZ3-CZ 3.85Å; W34-F72 HydrophobicContact CZ3-CZ 3.85Å; W34-L152 HydrophobicContact CZ2-CD2 3.74Å; W34-F170 HydrophobicContact CZ2-CD1 4.49Å; W34-F170 HydrophobicContact CZ2-CE1 4.5Å
35V90.5Very high84.6Confident3 Ų341.5 Ų41.52%0.01821%0.206CC..Hα-helixtrans-64.8-47.7173.2170.20000110.9L31 L33 E37 A38 Q39 H52 F110 V113 L114L31-V35 WeakPolarHBondContact O-CG2 3.31Å; L31-V35 PolarHBondContact O-N 2.93Å; L33-V35 PolarHBondContact O-N 2.9Å; V35-E37 VanDerWaalsContact C-N 3.3Å; V35-E37 PolarHBondContact O-N 3.45Å; V35-A38 PolarHBondContact O-N 2.88Å; V35-Q39 WeakPolarHBondContact O-CB 3.47Å; V35-Q39 PolarHBondContact O-N 2.97Å; V35-H52 HydrophobicContact CG2-CB 4.43Å; V35-F110 HydrophobicContact CB-CE2 4.25Å; V35-F110 HydrophobicContact CG1-CD2 4.09Å; V35-F110 HydrophobicContact CG1-CE2 3.64Å; V35-V113 HydrophobicContact CG1-CG1 3.41Å; V35-V113 VanDerWaalsContact CG1-CG1 3.41Å; V35-V113 HydrophobicContact CG2-CG1 4.29Å; V35-L114 HydrophobicContact CG2-CD2 3.99Å
36C87.3Confident82.9Confident54 Ų5443 Ų4337%0.36524%0.238SC..Hα-helixtrans-60.5-39178-73.80000112.5S32 L33 T40S32-C36 WeakPolarHBondContact O-CB 3.15Å; S32-C36 PolarHBondContact O-N 3.34Å; S32-C36 PolarHBondContact O-SG 3.28Å; L33-C36 PolarHBondContact O-N 3.49Å; C36-T40 WeakPolarHBondContact O-CB 3.42Å; C36-T40 PolarHBondContact O-N 2.83Å; C36-T40 VanDerWaalsContact O-N 3.12Å; C36-T40 PolarHBondContact O-OG1 3.01Å
37E85.9Confident81.3Confident10 Ų1046.6 Ų46.65%0.04726%0.264CS..Hα-helixtrans-64.1-55.4176.5-180173.3-119.300111L33 V35 Q39 T40 V41 R59 F594L33-E37 VanDerWaalsContact O-CB 3.28Å; L33-E37 WeakPolarHBondContact O-CB 3.43Å; L33-E37 PolarHBondContact O-N 3.06Å; V35-E37 VanDerWaalsContact C-N 3.3Å; V35-E37 PolarHBondContact O-N 3.45Å; E37-Q39 PolarHBondContact O-N 3.46Å; E37-T40 PolarHBondContact O-N 2.9Å; E37-V41 PolarHBondContact O-N 3.18Å; E37-R59 IonicContact OE2-CZ 3.65Å; E37-R59 IonicContact OE2-NH1 2.73Å; E37-R59 PolarHBondContact OE2-NH1 2.77Å; E37-R59 IonicContact OE2-NH2 3.32Å; E37-R59 PolarHBondContact OE2-NH2 2.95Å; E37-F594 HydrophobicContact CB-CD2 4.42Å; E37-F594 HydrophobicContact CB-CE2 4.09Å; E37-F594 HydrophobicContact CG-CD2 3.92Å; E37-F594 HydrophobicContact CG-CE2 3.89Å; E37-F594 WeakPolarHBondContact OE1-CD2 3.38Å
38A84.9Confident80Confident3 Ų347.9 Ų47.93%0.02527%0.272CS..Hα-helixtrans-57.7-36.517800000112.8W34 V35 T40 H52 N55W34-A38 WeakPolarHBondContact O-CB 3.39Å; W34-A38 PolarHBondContact O-N 2.73Å; V35-A38 PolarHBondContact O-N 2.88Å; A38-T40 VanDerWaalsContact C-N 3.29Å; A38-T40 PolarHBondContact O-N 2.74Å; A38-H52 HydrophobicContact CB-CB 4.13Å; A38-N55 HydrophobicContact CB-CB 4.48Å
39Q77.9Confident79Confident78 Ų7851 Ų5136%0.36429%0.29SS..Hα-helixtrans-77.9-9.7177.2-158.817129.200113.8V35 E37V35-Q39 WeakPolarHBondContact O-CB 3.47Å; V35-Q39 PolarHBondContact O-N 2.97Å; E37-Q39 PolarHBondContact O-N 3.46Å
40T75.8Confident78.3Confident81 Ų8154 Ų5450%0.49730%0.304SS..Hα-helixtrans-93-19.2175.4-58.60000112.7C36 E37 A38 K42 F594C36-T40 WeakPolarHBondContact O-CB 3.42Å; C36-T40 PolarHBondContact O-N 2.83Å; C36-T40 VanDerWaalsContact O-N 3.12Å; C36-T40 PolarHBondContact O-OG1 3.01Å; E37-T40 PolarHBondContact O-N 2.9Å; A38-T40 VanDerWaalsContact C-N 3.29Å; A38-T40 PolarHBondContact O-N 2.74Å; T40-K42 PolarHBondContact O-N 2.87Å; T40-F594 HydrophobicContact CG2-CZ 4.09Å
41V74.6Confident78Confident18 Ų1854.5 Ų54.511%0.10931%0.307CS..  trans-7384.3-179.9-1750000111.3E37 K43 M44 G591E37-V41 PolarHBondContact O-N 3.18Å; V41-K43 HydrophobicContact CG1-CB 4.28Å; V41-K43 PolarHBondContact O-N 2.76Å; V41-M44 HydrophobicContact CB-CE 3.99Å; V41-M44 HydrophobicContact CG1-CE 3.68Å; V41-M44 HydrophobicContact CG1-CG 4.45Å; V41-M44 HydrophobicContact CG2-CE 4.28Å; V41-M44 PolarHBondContact O-N 2.67Å; V41-G591 WeakPolarHBondContact CG1-O 3.34Å; V41-G591 WeakPolarHBondContact CG2-O 3.46Å
42K64.3Low77.8Confident182 Ų18255.1 Ų55.179%0.79131%0.31SS*.THydrogen-bonded Turntrans-50.6-30.6179.6-68.1-174.5179-178.40114.3T40 M44 M45T40-K42 PolarHBondContact O-N 2.87Å; K42-M44 VanDerWaalsContact C-N 3.26Å; K42-M44 PolarHBondContact O-N 2.94Å; K42-M45 HydrophobicContact CG-SD 4.43Å; K42-M45 PolarHBondContact O-N 3.42Å
43K64.6Low77.9Confident149 Ų14954.5 Ų54.565%0.64831%0.306SS*.THydrogen-bonded Turntrans-61.2-30177.4-64.5-170.4-175.2-176.70113.5V41 D588V41-K43 HydrophobicContact CG1-CB 4.28Å; V41-K43 PolarHBondContact O-N 2.76Å; K43-D588 WeakPolarHBondContact CD-OD2 3.36Å; K43-D588 IonicContact NZ-OD2 2.99Å; K43-D588 PolarHBondContact NZ-OD2 3.12Å
44M60.6Low78.1Confident22 Ų2253.5 Ų53.511%0.10830%0.3CS..THydrogen-bonded Turntrans-91.3-19.6178.5-78.2-171.6-94.500113.3V41 K42 G46 S47 V48 P51 T592V41-M44 HydrophobicContact CB-CE 3.99Å; V41-M44 HydrophobicContact CG1-CE 3.68Å; V41-M44 HydrophobicContact CG1-CG 4.45Å; V41-M44 HydrophobicContact CG2-CE 4.28Å; V41-M44 PolarHBondContact O-N 2.67Å; K42-M44 VanDerWaalsContact C-N 3.26Å; K42-M44 PolarHBondContact O-N 2.94Å; M44-G46 PolarHBondContact O-N 2.7Å; M44-S47 PolarHBondContact O-N 3.43Å; M44-S47 VanDerWaalsContact O-N 3.14Å; M44-V48 HydrophobicContact CB-CB 4.32Å; M44-V48 HydrophobicContact CB-CG2 4.29Å; M44-V48 HydrophobicContact CG-CG2 4.04Å; M44-V48 PolarHBondContact O-N 3.42Å; M44-V48 VanDerWaalsContact O-N 3.08Å; M44-V48 HydrophobicContact SD-CG2 4.46Å; M44-P51 HydrophobicContact CB-CB 4.17Å; M44-P51 HydrophobicContact SD-CB 4.12Å; M44-T592 HydrophobicContact CE-CG2 3.59Å
45M59Low78.1Confident113 Ų11352.9 Ų52.956%0.55730%0.298SS*.BIsolated β-bridgetrans-67.5107.4-177.6-61.9-176.877.900110.7K42K42-M45 HydrophobicContact CG-SD 4.43Å; K42-M45 PolarHBondContact O-N 3.42Å
46G62.3Low78.4Confident88 Ų8853 Ų5391%0.90730%0.298SS*.THydrogen-bonded Turntrans97.2-9.1-178.300000115.1M44M44-G46 PolarHBondContact O-N 2.7Å
47S63.9Low78.8Confident101 Ų10150.5 Ų50.571%0.70628%0.281SS*.THydrogen-bonded Turntrans-108.6-15.8172.3-174.30000113.4M44M44-S47 PolarHBondContact O-N 3.43Å; M44-S47 VanDerWaalsContact O-N 3.14Å
48V71.9Confident79.2Confident30 Ų3050.7 Ų50.718%0.18228%0.282CS..BIsolated β-bridgetrans-132.2125.9-179.1177.30000109M44 P51M44-V48 HydrophobicContact CB-CB 4.32Å; M44-V48 HydrophobicContact CB-CG2 4.29Å; M44-V48 HydrophobicContact CG-CG2 4.04Å; M44-V48 PolarHBondContact O-N 3.42Å; M44-V48 VanDerWaalsContact O-N 3.08Å; M44-V48 HydrophobicContact SD-CG2 4.46Å; V48-P51 HydrophobicContact CG1-CB 4.15Å
49V76.3Confident79.7Confident64 Ų6450.9 Ų50.939%0.38828%0.282SS..SBendtrans-67.3129.4171.6-179.10000109.1
50K83.6Confident80.6Confident64 Ų6447.2 Ų47.228%0.27827%0.265SS..SBendtrans43.263.5175.3-61.3-74.2-166.91610114.1H52 L53 R54 E116 K363 M364K50-H52 VanDerWaalsContact CD-CE1 3.4Å; K50-H52 WeakPolarHBondContact CD-CE1 3.36Å; K50-H52 PolarHBondContact O-N 3.32Å; K50-L53 HydrophobicContact CB-CB 4.32Å; K50-L53 HydrophobicContact CB-CD1 3.98Å; K50-L53 HydrophobicContact CB-CG 4.18Å; K50-L53 HydrophobicContact CG-CD1 4.33Å; K50-L53 PolarHBondContact O-N 3.45Å; K50-R54 PolarHBondContact O-N 3.41Å; K50-E116 IonicContact NZ-OE1 3.7Å; K50-E116 PolarHBondContact NZ-OE1 2.9Å; K50-E116 IonicContact NZ-OE2 3.62Å; K50-E116 PolarHBondContact NZ-OE2 3.04Å; K50-K363 WeakPolarHBondContact CG-O 3.35Å; K50-M364 HydrophobicContact CB-CG 4.48Å
51P87.8Confident81.5Confident18 Ų1843.8 Ų43.812%0.11724%0.244CC..Hα-helixtrans-62.1-22-17325.7-34.9000114M44 V48 N55M44-P51 HydrophobicContact CB-CB 4.17Å; M44-P51 HydrophobicContact SD-CB 4.12Å; V48-P51 HydrophobicContact CG1-CB 4.15Å; P51-N55 VanDerWaalsContact O-CB 3.26Å; P51-N55 WeakPolarHBondContact O-CB 3.42Å; P51-N55 PolarHBondContact O-N 3.11Å; P51-N55 PolarHBondContact O-ND2 3.31Å
52H90.7Very high82.4Confident15 Ų1545.7 Ų45.77%0.06925%0.25CC..Hα-helixtrans-61.7-44.7170.853-84.3000112.6V35 A38 K50 L56 E116V35-H52 HydrophobicContact CG2-CB 4.43Å; A38-H52 HydrophobicContact CB-CB 4.13Å; K50-H52 VanDerWaalsContact CD-CE1 3.4Å; K50-H52 WeakPolarHBondContact CD-CE1 3.36Å; K50-H52 PolarHBondContact O-N 3.32Å; H52-L56 WeakPolarHBondContact O-CB 3.28Å; H52-L56 PolarHBondContact O-N 2.97Å; H52-E116 IonicContact CE1-OE2 3.65Å; H52-E116 IonicContact NE2-OE2 3.73Å; H52-E116 PolarHBondContact NE2-OE2 3.23Å
53L94.1Very high83.8Confident0 Ų037.1 Ų37.10%021%0.212CC..Hα-helixtrans-67.3-46.3177-63.8-178000111.1K50 N55 L56 F57 E116 M120 F359 K363 M364K50-L53 HydrophobicContact CB-CB 4.32Å; K50-L53 HydrophobicContact CB-CD1 3.98Å; K50-L53 HydrophobicContact CB-CG 4.18Å; K50-L53 HydrophobicContact CG-CD1 4.33Å; K50-L53 PolarHBondContact O-N 3.45Å; L53-N55 PolarHBondContact O-N 2.86Å; L53-L56 PolarHBondContact O-N 3.19Å; L53-F57 WeakPolarHBondContact O-CB 3.4Å; L53-F57 PolarHBondContact O-N 3.26Å; L53-E116 HydrophobicContact CD1-CB 4.43Å; L53-E116 HydrophobicContact CD2-CB 4.04Å; L53-E116 WeakPolarHBondContact CD2-O 3.49Å; L53-M120 HydrophobicContact CB-CE 3.75Å; L53-M120 HydrophobicContact CD2-CE 4.22Å; L53-M120 HydrophobicContact CG-CE 4.45Å; L53-M120 WeakPolarHBondContact O-CE 3.27Å; L53-F359 HydrophobicContact CD1-CE1 4.03Å; L53-F359 HydrophobicContact CD1-CZ 3.91Å; L53-F359 HydrophobicContact CD2-CE1 4.48Å; L53-F359 HydrophobicContact CD2-CZ 4.18Å; L53-K363 HydrophobicContact CD1-CB 3.69Å; L53-K363 HydrophobicContact CD1-CG 4.48Å; L53-M364 HydrophobicContact CB-CE 4.46Å; L53-M364 HydrophobicContact CB-CG 3.97Å; L53-M364 HydrophobicContact CB-SD 3.46Å; L53-M364 WeakPolarHBondContact CB-SD 3.49Å; L53-M364 HydrophobicContact CD1-CG 4.03Å
54R92.3Very high85.2Confident13 Ų1331.5 Ų31.55%0.04919%0.191CC..Hα-helixtrans-57-48.3177.3-175.8179173.192.42.6111.4K50 F58 M364 W366 L582K50-R54 PolarHBondContact O-N 3.41Å; R54-F58 HydrophobicContact CG-CD2 3.81Å; R54-F58 HydrophobicContact CG-CE2 3.7Å; R54-F58 WeakPolarHBondContact O-CD2 3.27Å; R54-F58 PolarHBondContact O-N 2.91Å; R54-F58 VanDerWaalsContact O-N 3.16Å; R54-M364 HydrophobicContact CB-SD 4.34Å; R54-W366 HydrophobicContact CG-CZ2 4.49Å; R54-L582 PolarHBondContact NH2-O 3.41Å; R54-L582 VanDerWaalsContact NH2-O 3.08Å
55N92.6Very high86.5Confident5 Ų533.6 Ų33.63%0.02720%0.2CC..Hα-helixtrans-69.9-40.8-178.8-68.8-7.6000111.9A38 P51 L53 F58 R59A38-N55 HydrophobicContact CB-CB 4.48Å; P51-N55 VanDerWaalsContact O-CB 3.26Å; P51-N55 WeakPolarHBondContact O-CB 3.42Å; P51-N55 PolarHBondContact O-N 3.11Å; P51-N55 PolarHBondContact O-ND2 3.31Å; L53-N55 PolarHBondContact O-N 2.86Å; N55-F58 PolarHBondContact O-N 2.94Å; N55-R59 VanDerWaalsContact O-CB 3.29Å; N55-R59 WeakPolarHBondContact O-CB 3.41Å; N55-R59 WeakPolarHBondContact O-CG 3.38Å; N55-R59 PolarHBondContact O-N 2.9Å
56L95.6Very high88Confident5 Ų530.1 Ų30.13%0.02618%0.183CC..Hα-helixtrans-56.9-51.6175.5178.462.4000110.9L31 W34 H52 L53 F58 R59 I60 F72 C117 M120L31-L56 HydrophobicContact CD1-CD1 3.94Å; L31-L56 HydrophobicContact CD1-CD2 4.16Å; W34-L56 HydrophobicContact CE3-CD1 3.83Å; W34-L56 HydrophobicContact CZ3-CD1 3.98Å; H52-L56 WeakPolarHBondContact O-CB 3.28Å; H52-L56 PolarHBondContact O-N 2.97Å; L53-L56 PolarHBondContact O-N 3.19Å; L56-F58 PolarHBondContact O-N 2.86Å; L56-R59 PolarHBondContact O-N 2.75Å; L56-I60 HydrophobicContact CD1-CD1 3.74Å; L56-I60 HydrophobicContact CD1-CG1 4.3Å; L56-I60 HydrophobicContact CG-CD1 3.78Å; L56-I60 WeakPolarHBondContact O-CB 3.23Å; L56-I60 WeakPolarHBondContact O-CD1 3.4Å; L56-I60 VanDerWaalsContact O-CG1 3.25Å; L56-I60 WeakPolarHBondContact O-CG1 3.49Å; L56-I60 PolarHBondContact O-N 3.04Å; L56-F72 HydrophobicContact CD1-CD1 4.37Å; L56-F72 HydrophobicContact CD1-CE1 3.57Å; L56-F72 HydrophobicContact CD1-CZ 3.71Å; L56-C117 HydrophobicContact CD2-CB 3.58Å; L56-M120 HydrophobicContact CB-SD 4.33Å; L56-M120 HydrophobicContact CD2-SD 4Å; L56-M120 HydrophobicContact CG-SD 4.12Å
57F96.3Very high89.4Confident1 Ų128.3 Ų28.30%0.00415%0.153CC..Hα-helixtrans-57.8-50.4178.6175.4-97.1000112.7L53 R59 I60 S61 M120 L124 F356 W366 K374 L375 L378L53-F57 WeakPolarHBondContact O-CB 3.4Å; L53-F57 PolarHBondContact O-N 3.26Å; F57-R59 PolarHBondContact O-N 3.19Å; F57-I60 PolarHBondContact O-N 3.08Å; F57-S61 WeakPolarHBondContact O-CB 3.31Å; F57-S61 PolarHBondContact O-N 3.32Å; F57-M120 HydrophobicContact CB-CE 4.04Å; F57-M120 HydrophobicContact CB-SD 3.88Å; F57-L124 HydrophobicContact CD2-CD1 4.21Å; F57-L124 HydrophobicContact CD2-CD2 4.22Å; F57-L124 HydrophobicContact CE2-CD2 4.09Å; F57-F356 AromaticContact CD2-CE2 3.69Å; F57-F356 HydrophobicContact CD2-CE2 3.69Å; F57-F356 AromaticContact CD2-CZ 3.54Å; F57-F356 HydrophobicContact CD2-CZ 3.54Å; F57-F356 HydrophobicContact CE2-CE1 4.18Å; F57-F356 AromaticContact CE2-CE2 3.75Å; F57-F356 HydrophobicContact CE2-CE2 3.75Å; F57-F356 AromaticContact CE2-CZ 3.29Å; F57-F356 HydrophobicContact CE2-CZ 3.29Å; F57-F356 HydrophobicContact CG-CZ 4.38Å; F57-F356 AromaticContact CZ-CZ 3.95Å; F57-F356 HydrophobicContact CZ-CZ 3.95Å; F57-W366 AromaticContact CD1-CH2 3.66Å; F57-W366 HydrophobicContact CD1-CH2 3.66Å; F57-W366 HydrophobicContact CD1-CZ3 4.09Å; F57-W366 HydrophobicContact CE1-CH2 4.04Å; F57-W366 HydrophobicContact CE1-CZ3 4.12Å; F57-W366 HydrophobicContact CG-CH2 4.23Å; F57-K374 HydrophobicContact CE1-CB 3.81Å; F57-K374 HydrophobicContact CZ-CB 3.77Å; F57-L375 HydrophobicContact CE2-CD1 4.4Å; F57-L378 HydrophobicContact CE2-CD1 4.16Å
58F94.4Very high90.9Very high14 Ų1423.6 Ų23.66%0.06112%0.12CC..Hα-helixtrans-70.2-32.7-177.5-72.6-56.9000113R54 N55 L56 S61 Y62 W366 L584 I587 W589R54-F58 HydrophobicContact CG-CD2 3.81Å; R54-F58 HydrophobicContact CG-CE2 3.7Å; R54-F58 WeakPolarHBondContact O-CD2 3.27Å; R54-F58 PolarHBondContact O-N 2.91Å; R54-F58 VanDerWaalsContact O-N 3.16Å; N55-F58 PolarHBondContact O-N 2.94Å; L56-F58 PolarHBondContact O-N 2.86Å; F58-S61 PolarHBondContact O-N 3.1Å; F58-Y62 WeakPolarHBondContact O-CB 3.32Å; F58-Y62 PolarHBondContact O-N 3.07Å; F58-W366 HydrophobicContact CE2-CH2 4.2Å; F58-W366 HydrophobicContact CE2-CZ2 4.23Å; F58-W366 HydrophobicContact CZ-CH2 4Å; F58-W366 HydrophobicContact CZ-CZ2 4.33Å; F58-L584 HydrophobicContact CB-CD2 4.48Å; F58-L584 HydrophobicContact CD1-CD2 3.61Å; F58-L584 HydrophobicContact CE1-CD2 3.94Å; F58-L584 HydrophobicContact CG-CD2 4.01Å; F58-I587 HydrophobicContact CD2-CD1 4.36Å; F58-W589 HydrophobicContact CB-CH2 4.5Å
59R95.5Very high92.1Very high7 Ų726.1 Ų26.13%0.02613%0.128CC..Hα-helixtrans-64.1-46172-73.2178.4174.9-170.2-2.7111.6W34 E37 N55 L56 F57 Y62 L63 F170 M172W34-R59 HydrophobicContact CE3-CB 4.27Å; W34-R59 VanDerWaalsContact CG-NH1 3.34Å; W34-R59 HydrophobicContact CH2-CB 3.53Å; W34-R59 HydrophobicContact CH2-CG 4.19Å; W34-R59 HydrophobicContact CZ2-CB 4.42Å; W34-R59 HydrophobicContact CZ3-CB 3.43Å; W34-R59 VanDerWaalsContact CZ3-CB 3.43Å; W34-R59 HydrophobicContact CZ3-CG 4.14Å; E37-R59 IonicContact OE2-CZ 3.65Å; E37-R59 IonicContact OE2-NH1 2.73Å; E37-R59 PolarHBondContact OE2-NH1 2.77Å; E37-R59 IonicContact OE2-NH2 3.32Å; E37-R59 PolarHBondContact OE2-NH2 2.95Å; N55-R59 VanDerWaalsContact O-CB 3.29Å; N55-R59 WeakPolarHBondContact O-CB 3.41Å; N55-R59 WeakPolarHBondContact O-CG 3.38Å; N55-R59 PolarHBondContact O-N 2.9Å; L56-R59 PolarHBondContact O-N 2.75Å; F57-R59 PolarHBondContact O-N 3.19Å; R59-Y62 PolarHBondContact O-N 2.92Å; R59-L63 WeakPolarHBondContact O-CB 3.31Å; R59-L63 WeakPolarHBondContact O-CG 3.43Å; R59-L63 PolarHBondContact O-N 2.7Å; R59-F170 HydrophobicContact CG-CE1 3.82Å; R59-F170 HydrophobicContact CG-CZ 4.27Å; R59-M172 HydrophobicContact CB-SD 4.25Å; R59-M172 HydrophobicContact CG-SD 3.64Å
60I96.3Very high93.1Very high1 Ų123.2 Ų23.21%0.00511%0.111CC..Hα-helixtrans-58.1-51173.5-73.1165.3000110.8L56 F57 Y62 L63 T64 L70 F72 L121 L124 I126L56-I60 HydrophobicContact CD1-CD1 3.74Å; L56-I60 HydrophobicContact CD1-CG1 4.3Å; L56-I60 HydrophobicContact CG-CD1 3.78Å; L56-I60 WeakPolarHBondContact O-CB 3.23Å; L56-I60 WeakPolarHBondContact O-CD1 3.4Å; L56-I60 VanDerWaalsContact O-CG1 3.25Å; L56-I60 WeakPolarHBondContact O-CG1 3.49Å; L56-I60 PolarHBondContact O-N 3.04Å; F57-I60 PolarHBondContact O-N 3.08Å; I60-Y62 VanDerWaalsContact C-N 3.3Å; I60-Y62 PolarHBondContact O-N 2.94Å; I60-L63 PolarHBondContact O-N 3.02Å; I60-T64 HydrophobicContact CG2-CG2 4.25Å; I60-T64 WeakPolarHBondContact O-CB 3.38Å; I60-T64 WeakPolarHBondContact O-CG2 3.28Å; I60-T64 PolarHBondContact O-N 3.43Å; I60-T64 PolarHBondContact O-OG1 3.38Å; I60-L70 HydrophobicContact CG1-CD1 4.1Å; I60-F72 HydrophobicContact CD1-CE2 4Å; I60-F72 HydrophobicContact CD1-CZ 4Å; I60-F72 HydrophobicContact CG1-CE2 3.93Å; I60-F72 HydrophobicContact CG1-CZ 3.77Å; I60-L121 HydrophobicContact CD1-CD2 3.53Å; I60-L124 HydrophobicContact CD1-CD1 3.83Å; I60-L124 HydrophobicContact CG2-CD1 4.22Å; I60-I126 HydrophobicContact CB-CD1 4.41Å; I60-I126 HydrophobicContact CD1-CD1 4.15Å; I60-I126 HydrophobicContact CG1-CD1 4.28Å; I60-I126 HydrophobicContact CG2-CD1 3.28Å
61S94.8Very high93.8Very high9 Ų920.2 Ų20.26%0.06310%0.097CC..Hα-helixtrans-61.9-38.3-176.1-178.10000112.2F57 F58 T64 Q65F57-S61 WeakPolarHBondContact O-CB 3.31Å; F57-S61 PolarHBondContact O-N 3.32Å; F58-S61 PolarHBondContact O-N 3.1Å; S61-T64 PolarHBondContact O-OG1 2.97Å; S61-Q65 WeakPolarHBondContact O-CB 3.42Å; S61-Q65 WeakPolarHBondContact O-CG 3.36Å; S61-Q65 PolarHBondContact O-N 3.49Å; S61-Q65 PolarHBondContact O-NE2 3.28Å; S61-Q65 VanDerWaalsContact O-NE2 3.08Å; S61-Q65 PolarHBondContact OG-NE2 3.29Å; S61-Q65 VanDerWaalsContact OG-NE2 3.16Å
62Y92.9Very high94.3Very high58 Ų5819.3 Ų19.323%0.2279%0.092CC..Hα-helixtrans-71.3-45.3176.8-167.8-91.2000112.9L19 F58 R59 I60 Q65 M66 M172L19-Y62 HydrophobicContact CB-CE1 4.46Å; L19-Y62 HydrophobicContact CD1-CD1 4.16Å; L19-Y62 HydrophobicContact CD1-CE1 3.71Å; F58-Y62 WeakPolarHBondContact O-CB 3.32Å; F58-Y62 PolarHBondContact O-N 3.07Å; R59-Y62 PolarHBondContact O-N 2.92Å; I60-Y62 VanDerWaalsContact C-N 3.3Å; I60-Y62 PolarHBondContact O-N 2.94Å; Y62-Q65 PolarHBondContact O-N 3.39Å; Y62-M66 HydrophobicContact CD1-CE 4.25Å; Y62-M66 HydrophobicContact CD1-SD 4.09Å; Y62-M66 HydrophobicContact CE1-CE 3.34Å; Y62-M66 HydrophobicContact CE1-SD 3.6Å; Y62-M66 VanDerWaalsContact CE1-SD 3.6Å; Y62-M66 HydrophobicContact CE2-CE 4.41Å; Y62-M66 VanDerWaalsContact CZ-CE 3.45Å; Y62-M66 PolarHBondContact O-N 3.38Å; Y62-M66 WeakPolarHBondContact OH-CE 3.37Å; Y62-M172 HydrophobicContact CD1-CE 4.29Å; Y62-M172 HydrophobicContact CD1-CG 4.23Å; Y62-M172 HydrophobicContact CD2-CE 3.87Å; Y62-M172 HydrophobicContact CE1-CG 4.5Å; Y62-M172 HydrophobicContact CG-CE 3.65Å; Y62-M172 HydrophobicContact CG-SD 4.43Å
63L94.6Very high94.6Very high2 Ų218.6 Ų18.61%0.019%0.088CC..Hα-helixtrans-66.6-43.8179.9-79.6164.9000112.1W34 R59 I60 Q65 M66 V68 L70 F170W34-L63 HydrophobicContact CH2-CD1 4Å; W34-L63 HydrophobicContact CZ2-CD1 4.49Å; R59-L63 WeakPolarHBondContact O-CB 3.31Å; R59-L63 WeakPolarHBondContact O-CG 3.43Å; R59-L63 PolarHBondContact O-N 2.7Å; I60-L63 PolarHBondContact O-N 3.02Å; L63-Q65 PolarHBondContact O-N 2.79Å; L63-M66 CarbonylContact O-C 3.48Å; L63-M66 WeakPolarHBondContact O-CA 3.07Å; L63-M66 PolarHBondContact O-N 3.41Å; L63-V68 HydrophobicContact CB-CB 4.21Å; L63-V68 HydrophobicContact CD2-CB 4.16Å; L63-V68 HydrophobicContact CD2-CG1 4.29Å; L63-V68 HydrophobicContact CD2-CG2 4.02Å; L63-V68 VanDerWaalsContact O-CB 3.32Å; L63-V68 WeakPolarHBondContact O-CB 3.43Å; L63-V68 WeakPolarHBondContact O-CG2 3.3Å; L63-V68 PolarHBondContact O-N 3.37Å; L63-L70 HydrophobicContact CB-CD1 4.1Å; L63-L70 HydrophobicContact CB-CD2 4.42Å; L63-L70 HydrophobicContact CD1-CD1 3.92Å; L63-L70 HydrophobicContact CD1-CD2 4.03Å; L63-F170 HydrophobicContact CD1-CE2 3.87Å; L63-F170 HydrophobicContact CD1-CZ 4.06Å; L63-F170 HydrophobicContact CD2-CE2 3.92Å; L63-F170 HydrophobicContact CG-CE2 4.03Å; L63-F170 HydrophobicContact CG-CZ 4.33Å
64T92.8Very high94.6Very high31 Ų3119.2 Ų19.219%0.199%0.091CC..Hα-helixtrans-63.7-40.2176.150.70000111.9I60 S61 M66 D67 L378 R381I60-T64 HydrophobicContact CG2-CG2 4.25Å; I60-T64 WeakPolarHBondContact O-CB 3.38Å; I60-T64 WeakPolarHBondContact O-CG2 3.28Å; I60-T64 PolarHBondContact O-N 3.43Å; I60-T64 PolarHBondContact O-OG1 3.38Å; S61-T64 PolarHBondContact O-OG1 2.97Å; T64-M66 PolarHBondContact O-N 3.11Å; T64-D67 PolarHBondContact O-N 3.2Å; T64-L378 WeakPolarHBondContact OG1-CD2 3.45Å; T64-R381 WeakPolarHBondContact O-CD 3.13Å; T64-R381 PolarHBondContact O-NE 3.19Å
65Q88.9Confident94.6Very high66 Ų6621 Ų2131%0.30810%0.1SC..Hα-helixtrans-60.3-23.9171.8-79.1174.96400113.9S61 Y62 L63 D67 R381S61-Q65 WeakPolarHBondContact O-CB 3.42Å; S61-Q65 WeakPolarHBondContact O-CG 3.36Å; S61-Q65 PolarHBondContact O-N 3.49Å; S61-Q65 PolarHBondContact O-NE2 3.28Å; S61-Q65 VanDerWaalsContact O-NE2 3.08Å; S61-Q65 PolarHBondContact OG-NE2 3.29Å; S61-Q65 VanDerWaalsContact OG-NE2 3.16Å; Y62-Q65 PolarHBondContact O-N 3.39Å; L63-Q65 PolarHBondContact O-N 2.79Å; Q65-D67 VanDerWaalsContact C-N 3.3Å; Q65-R381 PolarHBondContact O-NH1 3.16Å
66M89.8Confident94.5Very high40 Ų4021.1 Ų21.120%0.19710%0.103CC..THydrogen-bonded Turntrans-89.714.3173.2-69.1-172.1165.300113.8L19 R20 G23 Y62 L63 T64 V68L19-M66 VanDerWaalsContact C-SD 3.51Å; L19-M66 HydrophobicContact CB-CE 4.32Å; L19-M66 HydrophobicContact CB-SD 3.46Å; L19-M66 WeakPolarHBondContact CB-SD 3.21Å; R20-M66 HydrophobicContact CB-CE 4.45Å; G23-M66 WeakPolarHBondContact CA-O 2.73Å; Y62-M66 HydrophobicContact CD1-CE 4.25Å; Y62-M66 HydrophobicContact CD1-SD 4.09Å; Y62-M66 HydrophobicContact CE1-CE 3.34Å; Y62-M66 HydrophobicContact CE1-SD 3.6Å; Y62-M66 VanDerWaalsContact CE1-SD 3.6Å; Y62-M66 HydrophobicContact CE2-CE 4.41Å; Y62-M66 VanDerWaalsContact CZ-CE 3.45Å; Y62-M66 PolarHBondContact O-N 3.38Å; Y62-M66 WeakPolarHBondContact OH-CE 3.37Å; L63-M66 CarbonylContact O-C 3.48Å; L63-M66 WeakPolarHBondContact O-CA 3.07Å; L63-M66 PolarHBondContact O-N 3.41Å; T64-M66 PolarHBondContact O-N 3.11Å; M66-V68 HydrophobicContact CB-CG2 4.19Å; M66-V68 PolarHBondContact O-N 2.96Å
67D91.9Very high94.1Very high51 Ų5126.6 Ų26.627%0.27313%0.128SC..THydrogen-bonded Turntrans62.623.2-175.1-143.649.4000115.2G24 T64 Q65 R381G24-D67 PolarHBondContact N-O 3.31Å; T64-D67 PolarHBondContact O-N 3.2Å; Q65-D67 VanDerWaalsContact C-N 3.3Å; D67-R381 VanDerWaalsContact CB-NH2 3.26Å; D67-R381 VanDerWaalsContact CG-NH2 3.31Å; D67-R381 IonicContact OD1-CZ 3.77Å; D67-R381 IonicContact OD1-NE 3.33Å; D67-R381 IonicContact OD1-NH2 2.76Å; D67-R381 PolarHBondContact OD1-NH2 2.88Å
68V96.1Very high93.7Very high2 Ų228.6 Ų28.61%0.01214%0.142CC..  trans-89.4120.8174.4-168.10000109.6L22 I27 L63 M66 L70L22-V68 HydrophobicContact CB-CG2 3.61Å; I27-V68 HydrophobicContact CB-CG1 4.44Å; I27-V68 HydrophobicContact CD1-CG1 3.71Å; I27-V68 HydrophobicContact CG1-CG1 4Å; L63-V68 HydrophobicContact CB-CB 4.21Å; L63-V68 HydrophobicContact CD2-CB 4.16Å; L63-V68 HydrophobicContact CD2-CG1 4.29Å; L63-V68 HydrophobicContact CD2-CG2 4.02Å; L63-V68 VanDerWaalsContact O-CB 3.32Å; L63-V68 WeakPolarHBondContact O-CB 3.43Å; L63-V68 WeakPolarHBondContact O-CG2 3.3Å; L63-V68 PolarHBondContact O-N 3.37Å; M66-V68 HydrophobicContact CB-CG2 4.19Å; M66-V68 PolarHBondContact O-N 2.96Å; V68-L70 HydrophobicContact CG1-CD2 3.92Å
69K96.8Very high93.4Very high83 Ų8328.6 Ų28.636%0.36114%0.143SC..EExtended strand (participates in β ladder)trans-86.2139.8171.5-67.6175.6-175.7169.60109.5K25 T26 I27 Y348K25-K69 PolarHBondContact O-N 3.33Å; T26-K69 CarbonylContact C-O 3.5Å; T26-K69 VanDerWaalsContact CA-O 3.3Å; T26-K69 WeakPolarHBondContact CA-O 3.37Å; T26-K69 HydrophobicContact CG2-CB 4.02Å; I27-K69 PolarHBondContact N-O 3.42Å; K69-Y348 HydrophobicContact CB-CE1 4.29Å; K69-Y348 HydrophobicContact CB-CE2 4.43Å; K69-Y348 HydrophobicContact CD-CE2 4.35Å
70L97.9Very high92.9Very high3 Ų337.8 Ų37.82%0.01618%0.183CC..EExtended strand (participates in β ladder)trans-118.5144.1-176.4-55.3178.7000111I27 V29 I60 L63 V68 F72 Y348I27-L70 HydrophobicContact CB-CD2 4.32Å; I27-L70 CarbonylContact O-C 3.36Å; I27-L70 WeakPolarHBondContact O-CA 3.46Å; V29-L70 HydrophobicContact CG2-CB 4.5Å; V29-L70 HydrophobicContact CG2-CD2 4.01Å; I60-L70 HydrophobicContact CG1-CD1 4.1Å; L63-L70 HydrophobicContact CB-CD1 4.1Å; L63-L70 HydrophobicContact CB-CD2 4.42Å; L63-L70 HydrophobicContact CD1-CD1 3.92Å; L63-L70 HydrophobicContact CD1-CD2 4.03Å; V68-L70 HydrophobicContact CG1-CD2 3.92Å; L70-F72 HydrophobicContact CB-CD2 4.38Å; L70-F72 HydrophobicContact CB-CE2 3.83Å; L70-F72 HydrophobicContact CB-CZ 4.49Å; L70-F72 HydrophobicContact CD1-CE2 3.96Å; L70-F72 HydrophobicContact CD1-CZ 3.97Å; L70-Y348 VanDerWaalsContact C-OH 3.32Å; L70-Y348 VanDerWaalsContact O-CE1 3.23Å; L70-Y348 WeakPolarHBondContact O-CE1 3.27Å; L70-Y348 PolarHBondContact O-OH 2.89Å
71V97.9Very high92.4Very high0 Ų039.8 Ų39.80%019%0.194CC..EExtended strand (participates in β ladder)trans-127116.8167.5-174.60000106.9T26 I27 A28 V29 P127 V129 L142 V148 I346 Y348T26-V71 HydrophobicContact CG2-CG2 3.96Å; I27-V71 PolarHBondContact O-N 3.49Å; A28-V71 CarbonylContact C-O 3.56Å; A28-V71 VanDerWaalsContact CA-O 3.26Å; A28-V71 WeakPolarHBondContact CA-O 3.32Å; V29-V71 PolarHBondContact N-O 2.83Å; V71-P127 WeakPolarHBondContact CA-O 3.45Å; V71-P127 HydrophobicContact CG2-CG 4.3Å; V71-V129 HydrophobicContact CG1-CG1 4.09Å; V71-V129 HydrophobicContact CG1-CG2 4.41Å; V71-L142 HydrophobicContact CG1-CD1 4.08Å; V71-V148 HydrophobicContact CB-CG1 4.41Å; V71-V148 HydrophobicContact CG2-CG1 4.06Å; V71-I346 HydrophobicContact CG1-CD1 4.24Å; V71-I346 HydrophobicContact CG2-CD1 4.38Å; V71-I346 HydrophobicContact CG2-CG2 3.8Å; V71-Y348 VanDerWaalsContact CG2-OH 3.32Å; V71-Y348 WeakPolarHBondContact CG2-OH 3.32Å
72F97.9Very high91.9Very high0 Ų040.4 Ų40.40%020%0.195CC..EExtended strand (participates in β ladder)trans-87.5136.3-178.1-75.5-91.3000111.4V29 L31 W34 L56 I60 L70 L121 I126 P127 W128 V129V29-F72 HydrophobicContact CB-CD1 3.83Å; V29-F72 HydrophobicContact CB-CE1 3.81Å; V29-F72 HydrophobicContact CB-CG 4.48Å; V29-F72 HydrophobicContact CB-CZ 4.44Å; V29-F72 HydrophobicContact CG1-CD1 4Å; V29-F72 HydrophobicContact CG1-CE1 3.68Å; V29-F72 HydrophobicContact CG1-CZ 4.5Å; V29-F72 HydrophobicContact CG2-CE1 4.32Å; V29-F72 HydrophobicContact CG2-CZ 4.48Å; L31-F72 HydrophobicContact CB-CD1 4.22Å; L31-F72 HydrophobicContact CD1-CD1 3.92Å; L31-F72 HydrophobicContact CD1-CE1 4.3Å; W34-F72 AromaticContact CE3-CE1 3.94Å; W34-F72 HydrophobicContact CE3-CE1 3.94Å; W34-F72 HydrophobicContact CE3-CZ 4.44Å; W34-F72 HydrophobicContact CH2-CE1 4.42Å; W34-F72 HydrophobicContact CH2-CZ 4.38Å; W34-F72 AromaticContact CZ3-CE1 3.78Å; W34-F72 HydrophobicContact CZ3-CE1 3.78Å; W34-F72 AromaticContact CZ3-CZ 3.85Å; W34-F72 HydrophobicContact CZ3-CZ 3.85Å; L56-F72 HydrophobicContact CD1-CD1 4.37Å; L56-F72 HydrophobicContact CD1-CE1 3.57Å; L56-F72 HydrophobicContact CD1-CZ 3.71Å; I60-F72 HydrophobicContact CD1-CE2 4Å; I60-F72 HydrophobicContact CD1-CZ 4Å; I60-F72 HydrophobicContact CG1-CE2 3.93Å; I60-F72 HydrophobicContact CG1-CZ 3.77Å; L70-F72 HydrophobicContact CB-CD2 4.38Å; L70-F72 HydrophobicContact CB-CE2 3.83Å; L70-F72 HydrophobicContact CB-CZ 4.49Å; L70-F72 HydrophobicContact CD1-CE2 3.96Å; L70-F72 HydrophobicContact CD1-CZ 3.97Å; F72-L121 HydrophobicContact CB-CD1 3.55Å; F72-L121 HydrophobicContact CD1-CD1 4.34Å; F72-L121 HydrophobicContact CD2-CD1 3.73Å; F72-L121 HydrophobicContact CD2-CD2 3.4Å; F72-L121 HydrophobicContact CD2-CG 4.24Å; F72-L121 HydrophobicContact CE2-CD2 3.5Å; F72-L121 HydrophobicContact CG-CD1 3.6Å; F72-L121 HydrophobicContact CG-CD2 4.06Å; F72-L121 HydrophobicContact CZ-CD2 4.23Å; F72-I126 HydrophobicContact CD2-CG2 3.86Å; F72-I126 HydrophobicContact CE2-CG2 4.04Å; F72-P127 PolarHBondContact N-O 2.92Å; F72-P127 VanDerWaalsContact N-O 3.1Å; F72-W128 HydrophobicContact CB-CB 4.19Å; F72-W128 CarbonylContact O-C 3.29Å; F72-W128 WeakPolarHBondContact O-CA 3.45Å; F72-V129 PolarHBondContact O-N 3.47Å
73V97.3Very high91.3Very high0 Ų040.3 Ų40.30%021%0.206CC..EExtended strand (participates in β ladder)trans-102.1124.8175.8-176.80000109.5A28 V29 L31 V129 A131 A135 M138 C139 L142A28-V73 HydrophobicContact CB-CG2 4.39Å; V29-V73 PolarHBondContact O-N 3.03Å; L31-V73 WeakPolarHBondContact CB-O 3.3Å; L31-V73 PolarHBondContact N-O 3.4Å; V73-V129 HydrophobicContact CB-CG2 4.36Å; V73-V129 HydrophobicContact CG1-CG2 4.44Å; V73-V129 HydrophobicContact CG2-CG2 3.83Å; V73-A131 HydrophobicContact CG1-CB 4.15Å; V73-A135 HydrophobicContact CB-CB 4.35Å; V73-A135 HydrophobicContact CG1-CB 3.75Å; V73-M138 HydrophobicContact CG1-CB 3.76Å; V73-M138 HydrophobicContact CG1-CG 3.87Å; V73-M138 HydrophobicContact CG2-CG 4.34Å; V73-C139 VanDerWaalsContact CG2-SG 3.55Å; V73-L142 HydrophobicContact CG2-CD1 4.32Å
74M94.9Very high90.4Very high13 Ų1345 Ų456%0.06423%0.232CC..EExtended strand (participates in β ladder)trans-93.5127172.8176.460.6-172.700109.7L114 L118 W128 V129 Q130 A131M74-L114 HydrophobicContact CE-CB 3.83Å; M74-L114 HydrophobicContact CE-CD1 3.81Å; M74-L114 HydrophobicContact CE-CG 4.39Å; M74-L114 HydrophobicContact SD-CB 3.79Å; M74-L114 HydrophobicContact SD-CD1 3.94Å; M74-L114 HydrophobicContact SD-CD2 4.18Å; M74-L114 HydrophobicContact SD-CG 4.19Å; M74-L118 HydrophobicContact CB-CD2 4.46Å; M74-L118 HydrophobicContact CG-CD1 4.19Å; M74-L118 HydrophobicContact SD-CD1 4.31Å; M74-W128 HydrophobicContact CB-CE3 4.18Å; M74-W128 HydrophobicContact CB-CZ3 4.39Å; M74-V129 WeakPolarHBondContact CB-O 3.3Å; M74-V129 PolarHBondContact N-O 3.38Å; M74-Q130 PolarHBondContact O-NE2 3.3Å; M74-A131 WeakPolarHBondContact O-CB 3.25Å; M74-A131 PolarHBondContact O-N 3.28Å
75E91.8Very high89.7Confident49 Ų4944.8 Ų44.823%0.22923%0.23CC..PPolyproline II helixtrans-62.8144177.2-165.2-170.2-178.700111.7Q130E75-Q130 VanDerWaalsContact C-NE2 3.34Å; E75-Q130 PolarHBondContact O-NE2 3.33Å
76G90.3Very high89.1Confident9 Ų943.8 Ų43.89%0.09323%0.226CC..  trans-89.5-127.2178.900000114.1K111 A131 G133G76-K111 PolarHBondContact O-NZ 3.21Å; G76-A131 WeakPolarHBondContact CA-O 3.5Å; G76-G133 WeakPolarHBondContact CA-O 3.49Å; G76-G133 PolarHBondContact N-O 3.05Å
77E87.9Confident88.4Confident119 Ų11944.5 Ų44.556%0.55624%0.235SC*.  trans-110.9131.5164.4-69.4-63.6152.700108.6K111E77-K111 IonicContact OE1-NZ 3.59Å; E77-K111 PolarHBondContact OE1-NZ 3.05Å
78P86.8Confident87.7Confident44 Ų4446.6 Ų46.629%0.28624%0.242SC..  trans-67.7148.1-173.826.7-34.7000112.1I86P78-I86 HydrophobicContact CB-CD1 3.75Å; P78-I86 HydrophobicContact CG-CD1 3.61Å
79P87.6Confident86.7Confident13 Ų1352.3 Ų52.38%0.08426%0.263CS..  trans-63148.4-178.525.9-33.9000111.7L81 K82 E134 Y209 E334P79-L81 PolarHBondContact O-N 2.91Å; P79-L81 VanDerWaalsContact O-N 3.07Å; P79-K82 HydrophobicContact CG-CB 4.29Å; P79-K82 WeakPolarHBondContact O-CB 3.5Å; P79-K82 PolarHBondContact O-N 2.95Å; P79-E134 HydrophobicContact CG-CG 4.28Å; P79-Y209 HydrophobicContact CG-CD1 4.41Å; P79-Y209 HydrophobicContact CG-CE1 3.96Å; P79-E334 HydrophobicContact CB-CG 4.34Å; P79-E334 WeakPolarHBondContact CB-OE2 3.07Å; P79-E334 HydrophobicContact CG-CG 4.35Å
80K86.4Confident85.4Confident200 Ų20050 Ų5087%0.8726%0.255SS*.G310 helixtrans-53.2-35-176.7-69.2-178-179.8176.60113.1K82 A83K80-K82 PolarHBondContact O-N 3.46Å; K80-A83 WeakPolarHBondContact O-CB 3.47Å; K80-A83 PolarHBondContact O-N 3.48Å; K80-A83 VanDerWaalsContact O-N 3.1Å
81L84.4Confident84.3Confident44 Ų4454.8 Ų54.823%0.2328%0.277CS..G310 helixtrans-55.4-38175.9-59.3173.1000112.5P79 A83 E330 V331 E334P79-L81 PolarHBondContact O-N 2.91Å; P79-L81 VanDerWaalsContact O-N 3.07Å; L81-A83 VanDerWaalsContact C-N 3.33Å; L81-A83 PolarHBondContact O-N 2.73Å; L81-E330 HydrophobicContact CD1-CB 4.27Å; L81-E330 HydrophobicContact CD2-CB 4.03Å; L81-E330 WeakPolarHBondContact CD2-OE2 3.35Å; L81-V331 HydrophobicContact CD1-CG2 4.2Å; L81-E334 HydrophobicContact CD1-CB 3.94Å; L81-E334 HydrophobicContact CD1-CG 4.29Å
82K84.9Confident83.1Confident22 Ų2260.9 Ų60.910%0.09632%0.315CS..G310 helixtrans-78.9-14-179-154171.7-164.6155.80113.4P79 K80 D84 V85 I86 E134 D208 Y209P79-K82 HydrophobicContact CG-CB 4.29Å; P79-K82 WeakPolarHBondContact O-CB 3.5Å; P79-K82 PolarHBondContact O-N 2.95Å; K80-K82 PolarHBondContact O-N 3.46Å; K82-D84 PolarHBondContact O-N 3.39Å; K82-D84 VanDerWaalsContact O-N 3.12Å; K82-V85 PolarHBondContact O-N 2.63Å; K82-I86 HydrophobicContact CB-CD1 4.12Å; K82-I86 HydrophobicContact CD-CD1 4.42Å; K82-I86 HydrophobicContact CG-CD1 4.01Å; K82-I86 HydrophobicContact CG-CG1 4.17Å; K82-I86 WeakPolarHBondContact O-CG1 3.32Å; K82-I86 PolarHBondContact O-N 3.35Å; K82-E134 WeakPolarHBondContact CD-OE1 3.44Å; K82-E134 VanDerWaalsContact CE-OE1 3.31Å; K82-E134 WeakPolarHBondContact CE-OE1 3.37Å; K82-E134 IonicContact NZ-OE1 3.53Å; K82-E134 PolarHBondContact NZ-OE1 3.41Å; K82-E134 IonicContact NZ-OE2 2.75Å; K82-E134 PolarHBondContact NZ-OE2 2.94Å; K82-D208 WeakPolarHBondContact CE-OD2 3.5Å; K82-D208 IonicContact NZ-OD2 2.74Å; K82-D208 PolarHBondContact NZ-OD2 2.91Å; K82-Y209 HydrophobicContact CB-CD1 4.07Å; K82-Y209 HydrophobicContact CB-CE1 4.44Å; K82-Y209 HydrophobicContact CD-CD1 4.23Å; K82-Y209 HydrophobicContact CD-CE1 3.98Å; K82-Y209 HydrophobicContact CG-CD1 4.21Å; K82-Y209 HydrophobicContact CG-CE1 4.46Å
83A79.7Confident81.6Confident55 Ų5568.4 Ų68.446%0.45534%0.343SS..Hα-helixtrans-55.4-34.7-179.400000112.2K80 L81 S87K80-A83 WeakPolarHBondContact O-CB 3.47Å; K80-A83 PolarHBondContact O-N 3.48Å; K80-A83 VanDerWaalsContact O-N 3.1Å; L81-A83 VanDerWaalsContact C-N 3.33Å; L81-A83 PolarHBondContact O-N 2.73Å; A83-S87 WeakPolarHBondContact O-CB 3.3Å; A83-S87 PolarHBondContact O-N 2.86Å; A83-S87 PolarHBondContact O-OG 3.19Å
84D75.7Confident80.2Confident102 Ų10272.9 Ų72.955%0.54536%0.361SS..Hα-helixtrans-79.4-19.7-178.4-145.250.7000113.4K82 S87 K88K82-D84 PolarHBondContact O-N 3.39Å; K82-D84 VanDerWaalsContact O-N 3.12Å; D84-S87 WeakPolarHBondContact CA-OG 3.47Å; D84-S87 PolarHBondContact O-OG 3.17Å; D84-S87 VanDerWaalsContact O-OG 3.06Å; D84-K88 VanDerWaalsContact CG-NZ 3.27Å; D84-K88 VanDerWaalsContact O-CG 3.32Å; D84-K88 WeakPolarHBondContact O-CG 3.41Å; D84-K88 PolarHBondContact O-NZ 3.15Å; D84-K88 IonicContact OD1-NZ 3.9Å; D84-K88 IonicContact OD2-NZ 2.59Å; D84-K88 PolarHBondContact OD2-NZ 2.69Å
85V78.5Confident78.8Confident26 Ų2674 Ų7416%0.15838%0.375CS..Hα-helixtrans-85.9-39.7169.9172.20000110.3K82 K88 R89 D208 P211K82-V85 PolarHBondContact O-N 2.63Å; V85-K88 PolarHBondContact O-N 3.48Å; V85-R89 WeakPolarHBondContact O-CB 3.18Å; V85-R89 PolarHBondContact O-N 3.22Å; V85-D208 WeakPolarHBondContact CG2-O 3.32Å; V85-P211 HydrophobicContact CG2-CB 3.95Å; V85-P211 HydrophobicContact CG2-CG 3.65Å
86I77.3Confident77.3Confident45 Ų4576.7 Ų76.723%0.23140%0.4CS..Hα-helixtrans-60.8-43.5173.8-68.8161.8000110.8P78 K82 R89 N90P78-I86 HydrophobicContact CB-CD1 3.75Å; P78-I86 HydrophobicContact CG-CD1 3.61Å; K82-I86 HydrophobicContact CB-CD1 4.12Å; K82-I86 HydrophobicContact CD-CD1 4.42Å; K82-I86 HydrophobicContact CG-CD1 4.01Å; K82-I86 HydrophobicContact CG-CG1 4.17Å; K82-I86 WeakPolarHBondContact O-CG1 3.32Å; K82-I86 PolarHBondContact O-N 3.35Å; I86-R89 PolarHBondContact O-N 2.99Å; I86-N90 WeakPolarHBondContact CG2-ND2 3.41Å; I86-N90 WeakPolarHBondContact O-CB 3.35Å; I86-N90 PolarHBondContact O-N 2.98Å; I86-N90 PolarHBondContact O-ND2 3.19Å; I86-N90 VanDerWaalsContact O-ND2 3.11Å
87S75.3Confident75.4Confident55 Ų5581.6 Ų81.639%0.38543%0.432SS..Hα-helixtrans-60.6-48.1177.366.70000111.7A83 D84 N90 Q91A83-S87 WeakPolarHBondContact O-CB 3.3Å; A83-S87 PolarHBondContact O-N 2.86Å; A83-S87 PolarHBondContact O-OG 3.19Å; D84-S87 WeakPolarHBondContact CA-OG 3.47Å; D84-S87 PolarHBondContact O-OG 3.17Å; D84-S87 VanDerWaalsContact O-OG 3.06Å; S87-N90 PolarHBondContact O-N 2.7Å; S87-Q91 WeakPolarHBondContact O-CB 3.47Å; S87-Q91 PolarHBondContact O-N 3.5Å
88K76.7Confident73.5Confident95 Ų9577.1 Ų77.141%0.41342%0.418SS..Hα-helixtrans-61.8-46.4175.8-67.9178.8-166.477.90111.9D84 V85 N90 Q91 T92D84-K88 VanDerWaalsContact CG-NZ 3.27Å; D84-K88 VanDerWaalsContact O-CG 3.32Å; D84-K88 WeakPolarHBondContact O-CG 3.41Å; D84-K88 PolarHBondContact O-NZ 3.15Å; D84-K88 IonicContact OD1-NZ 3.9Å; D84-K88 IonicContact OD2-NZ 2.59Å; D84-K88 PolarHBondContact OD2-NZ 2.69Å; V85-K88 PolarHBondContact O-N 3.48Å; K88-N90 VanDerWaalsContact C-N 3.3Å; K88-N90 PolarHBondContact O-N 2.62Å; K88-Q91 WeakPolarHBondContact O-CB 3.3Å; K88-Q91 PolarHBondContact O-N 3.26Å; K88-Q91 VanDerWaalsContact O-N 3.11Å; K88-T92 PolarHBondContact O-N 2.95Å; K88-T92 PolarHBondContact O-OG1 3.31Å; K88-T92 VanDerWaalsContact O-OG1 3.08Å
89R74.2Confident71.5Confident121 Ų12183.6 Ų83.646%0.45744%0.442SS..Hα-helixtrans-60.8-38.5178.5-166.4174.2-168.8156.30.9112.1M1 V85 I86 R93M1-R89 PolarHBondContact SD-NH1 3.38Å; M1-R89 PolarHBondContact SD-NH2 3.01Å; V85-R89 WeakPolarHBondContact O-CB 3.18Å; V85-R89 PolarHBondContact O-N 3.22Å; I86-R89 PolarHBondContact O-N 2.99Å; R89-R93 WeakPolarHBondContact O-CB 3.41Å; R89-R93 PolarHBondContact O-N 3.5Å
90N70.4Confident69.8Low35 Ų3587.7 Ų87.719%0.18747%0.471CS..Hα-helixtrans-68.2-42.8173-71.8-25.8000111.9I86 S87 K88 T92 R93 Y94I86-N90 WeakPolarHBondContact CG2-ND2 3.41Å; I86-N90 WeakPolarHBondContact O-CB 3.35Å; I86-N90 PolarHBondContact O-N 2.98Å; I86-N90 PolarHBondContact O-ND2 3.19Å; I86-N90 VanDerWaalsContact O-ND2 3.11Å; S87-N90 PolarHBondContact O-N 2.7Å; K88-N90 VanDerWaalsContact C-N 3.3Å; K88-N90 PolarHBondContact O-N 2.62Å; N90-T92 VanDerWaalsContact C-N 3.33Å; N90-T92 PolarHBondContact O-N 2.94Å; N90-R93 PolarHBondContact O-N 2.88Å; N90-R93 VanDerWaalsContact O-N 3.14Å; N90-Y94 HydrophobicContact CB-CD2 4.43Å; N90-Y94 WeakPolarHBondContact O-CD2 3.46Å; N90-Y94 PolarHBondContact O-N 3.05Å
91Q73.6Confident67.8Low104 Ų10487.9 Ų87.949%0.48647%0.466SS..Hα-helixtrans-61.3-38.6175.6-169.8179.91500112.2S87 K88 G95 S96S87-Q91 WeakPolarHBondContact O-CB 3.47Å; S87-Q91 PolarHBondContact O-N 3.5Å; K88-Q91 WeakPolarHBondContact O-CB 3.3Å; K88-Q91 PolarHBondContact O-N 3.26Å; K88-Q91 VanDerWaalsContact O-N 3.11Å; Q91-G95 WeakPolarHBondContact O-CA 3.34Å; Q91-G95 PolarHBondContact O-N 3.47Å; Q91-S96 PolarHBondContact NE2-OG 3.07Å
92T72.4Confident66.2Low128 Ų12888 Ų8879%0.78547%0.471SS*.Hα-helixtrans-67.5-38.2172.8-49.80000112.3K88 N90K88-T92 PolarHBondContact O-N 2.95Å; K88-T92 PolarHBondContact O-OG1 3.31Å; K88-T92 VanDerWaalsContact O-OG1 3.08Å; N90-T92 VanDerWaalsContact C-N 3.33Å; N90-T92 PolarHBondContact O-N 2.94Å
93R67Low64.8Low157 Ų15788.4 Ų88.459%0.59247%0.473SS*.Hα-helixtrans-78-29.9-177.1-175-178.9-82.6177.8-8.3113.8R89 N90R89-R93 WeakPolarHBondContact O-CB 3.41Å; R89-R93 PolarHBondContact O-N 3.5Å; N90-R93 PolarHBondContact O-N 2.88Å; N90-R93 VanDerWaalsContact O-N 3.14Å
94Y67.3Low63.6Low95 Ų9593.2 Ų93.237%0.37348%0.484SS..Hα-helixtrans-129.5-1.9-170.4-56-72.6000115N90N90-Y94 HydrophobicContact CB-CD2 4.43Å; N90-Y94 WeakPolarHBondContact O-CD2 3.46Å; N90-Y94 PolarHBondContact O-N 3.05Å
95G66.6Low62.8Low36 Ų3691.6 Ų91.637%0.37148%0.478SS..  trans76.5159.1-17900000114.4Q91 S97 G98Q91-G95 WeakPolarHBondContact O-CA 3.34Å; Q91-G95 PolarHBondContact O-N 3.47Å; G95-S97 PolarHBondContact O-N 3.48Å; G95-S97 VanDerWaalsContact O-N 3.1Å; G95-G98 PolarHBondContact O-N 2.99Å; G95-G98 VanDerWaalsContact O-N 3.12Å
96S59.6Low62.2Low106 Ų10691.6 Ų91.674%0.74148%0.483SS*.THydrogen-bonded Turntrans-61.6-17.5179-51.30000114.5Q91Q91-S96 PolarHBondContact NE2-OG 3.07Å
97S51.1Low61.9Low111 Ų11196.2 Ų96.278%0.77650%0.497SS*.THydrogen-bonded Turntrans-101.74.5179.754.10000113.8G95 K99G95-S97 PolarHBondContact O-N 3.48Å; G95-S97 VanDerWaalsContact O-N 3.1Å; S97-K99 PolarHBondContact O-N 3.48Å
98G48.1Very low61.9Low26 Ų2697.1 Ų97.127%0.26850%0.503SS..  trans-65.686.9177.600000112.4G95 S100G95-G98 PolarHBondContact O-N 2.99Å; G95-G98 VanDerWaalsContact O-N 3.12Å; G98-S100 PolarHBondContact O-N 2.94Å
99K44.6Very low62.1Low180 Ų18097.1 Ų97.178%0.78351%0.505SS*.  trans-43.6134.4-178.6-66.5-176178.9-177.70111.6S97 W101 S102S97-K99 PolarHBondContact O-N 3.48Å; K99-W101 PolarHBondContact O-N 3.5Å; K99-S102 PolarHBondContact O-N 2.85Å; K99-S102 PolarHBondContact O-OG 3.36Å
100S51.5Low62.6Low99 Ų9993.2 Ų93.269%0.69249%0.491SS*.Hα-helixtrans-38.6-34.9-177.5-178.40000115.4G98 S102 Q103 K104G98-S100 PolarHBondContact O-N 2.94Å; S100-S102 PolarHBondContact O-N 3.36Å; S100-Q103 WeakPolarHBondContact O-CB 3.36Å; S100-Q103 PolarHBondContact O-N 3.12Å; S100-Q103 VanDerWaalsContact O-N 3.13Å; S100-K104 PolarHBondContact O-N 3.37Å
101W44Very low63.4Low204 Ų20495.3 Ų95.377%0.77350%0.499SS*.Hα-helixtrans-48.6-50.1173.2-160.7-108.7000114.2K99 Q103 K104 T105K99-W101 PolarHBondContact O-N 3.5Å; W101-Q103 VanDerWaalsContact C-N 3.28Å; W101-Q103 PolarHBondContact O-N 2.9Å; W101-K104 PolarHBondContact O-N 3.14Å; W101-T105 PolarHBondContact O-N 3.14Å; W101-T105 PolarHBondContact O-OG1 2.98Å
102S52.2Low64.2Low46 Ų4692.4 Ų92.432%0.32249%0.49SS..Hα-helixtrans-69.7-26-178.667.10000113.2K99 S100 T105 G106K99-S102 PolarHBondContact O-N 2.85Å; K99-S102 PolarHBondContact O-OG 3.36Å; S100-S102 PolarHBondContact O-N 3.36Å; S102-T105 WeakPolarHBondContact CA-OG1 3.2Å; S102-T105 PolarHBondContact O-OG1 3.22Å; S102-G106 PolarHBondContact O-N 2.97Å
103Q54.9Low65.1Low30 Ų3086.4 Ų86.414%0.1445%0.453CS..Hα-helixtrans-75.2-38.2176.8-54.9-52.1-67.300111.3S100 W101 R107S100-Q103 WeakPolarHBondContact O-CB 3.36Å; S100-Q103 PolarHBondContact O-N 3.12Å; S100-Q103 VanDerWaalsContact O-N 3.13Å; W101-Q103 VanDerWaalsContact C-N 3.28Å; W101-Q103 PolarHBondContact O-N 2.9Å; Q103-R107 PolarHBondContact O-N 3.31Å
104K55.3Low66.3Low156 Ų15679 Ų7968%0.67843%0.425SS*.Hα-helixtrans-69.7-45.3177.1-162173.4-176.7-179.10110.9S100 W101 R107 S108S100-K104 PolarHBondContact O-N 3.37Å; W101-K104 PolarHBondContact O-N 3.14Å; K104-R107 PolarHBondContact O-N 2.92Å; K104-S108 WeakPolarHBondContact O-CB 2.88Å; K104-S108 PolarHBondContact O-N 2.8Å; K104-S108 PolarHBondContact O-OG 3.45Å
105T58.7Low67.6Low68 Ų6881.9 Ų81.942%0.41744%0.435SS..Hα-helixtrans-66.7-38.117756.60000112.9W101 S102 S108 H109W101-T105 PolarHBondContact O-N 3.14Å; W101-T105 PolarHBondContact O-OG1 2.98Å; S102-T105 WeakPolarHBondContact CA-OG1 3.2Å; S102-T105 PolarHBondContact O-OG1 3.22Å; T105-S108 WeakPolarHBondContact CA-OG 3.49Å; T105-S108 PolarHBondContact O-N 2.74Å; T105-S108 PolarHBondContact O-OG 2.74Å; T105-S108 VanDerWaalsContact O-OG 3.11Å; T105-H109 VanDerWaalsContact O-CB 3.23Å; T105-H109 WeakPolarHBondContact O-CB 3.32Å; T105-H109 PolarHBondContact O-N 3.27Å
106G66Low68.9Low26 Ų2681.3 Ų81.327%0.26842%0.423SS..Hα-helixtrans-60.6-45.9175.900000113.1S102 F110S102-G106 PolarHBondContact O-N 2.97Å; G106-F110 PolarHBondContact O-N 3.02Å; G106-F110 VanDerWaalsContact O-N 3.08Å
107R69.8Low70.7Confident143 Ų14376.3 Ų76.354%0.5439%0.388SS..Hα-helixtrans-72.3-37.5177-110.3-173.4-64.4163.1-1.5113.3Q103 K104 H109 F110 K111Q103-R107 PolarHBondContact O-N 3.31Å; K104-R107 PolarHBondContact O-N 2.92Å; R107-H109 VanDerWaalsContact C-N 3.34Å; R107-F110 PolarHBondContact O-N 3.39Å; R107-K111 PolarHBondContact O-N 3.37Å
108S76.2Confident72.8Confident73 Ų7371.6 Ų71.651%0.5135%0.354SS..Hα-helixtrans-67.5-35.6175.266.10000112K104 T105 K111 S112K104-S108 WeakPolarHBondContact O-CB 2.88Å; K104-S108 PolarHBondContact O-N 2.8Å; K104-S108 PolarHBondContact O-OG 3.45Å; T105-S108 WeakPolarHBondContact CA-OG 3.49Å; T105-S108 PolarHBondContact O-N 2.74Å; T105-S108 PolarHBondContact O-OG 2.74Å; T105-S108 VanDerWaalsContact O-OG 3.11Å; S108-K111 PolarHBondContact O-N 3.01Å; S108-S112 WeakPolarHBondContact O-CB 3.44Å; S108-S112 PolarHBondContact O-N 3.25Å
109H80.4Confident75.2Confident95 Ų9573.8 Ų73.844%0.4436%0.36SS..Hα-helixtrans-62.6-46.1171.6-179.5-76.2000111.3T105 R107 K111 S112 V113T105-H109 VanDerWaalsContact O-CB 3.23Å; T105-H109 WeakPolarHBondContact O-CB 3.32Å; T105-H109 PolarHBondContact O-N 3.27Å; R107-H109 VanDerWaalsContact C-N 3.34Å; H109-K111 PolarHBondContact O-N 2.97Å; H109-S112 WeakPolarHBondContact O-CB 3.36Å; H109-S112 PolarHBondContact O-N 3.48Å; H109-S112 VanDerWaalsContact O-N 3.12Å; H109-V113 VanDerWaalsContact CE1-CG2 3.44Å; H109-V113 WeakPolarHBondContact CE1-CG2 3.43Å; H109-V113 WeakPolarHBondContact O-CG2 3.4Å; H109-V113 PolarHBondContact O-N 3.19Å
110F84.6Confident77.7Confident39 Ų3965.2 Ų65.217%0.17132%0.323CS..Hα-helixtrans-60.4-45.3176.4-174.7-112.2000112.2V35 G106 R107 S112 V113 L114V35-F110 HydrophobicContact CB-CE2 4.25Å; V35-F110 HydrophobicContact CG1-CD2 4.09Å; V35-F110 HydrophobicContact CG1-CE2 3.64Å; G106-F110 PolarHBondContact O-N 3.02Å; G106-F110 VanDerWaalsContact O-N 3.08Å; R107-F110 PolarHBondContact O-N 3.39Å; F110-S112 VanDerWaalsContact C-N 3.3Å; F110-S112 PolarHBondContact O-N 3.45Å; F110-V113 PolarHBondContact O-N 2.86Å; F110-L114 HydrophobicContact CD1-CD1 3.83Å; F110-L114 HydrophobicContact CE1-CD1 3.52Å; F110-L114 HydrophobicContact CE1-CG 4.38Å; F110-L114 HydrophobicContact CZ-CD1 3.96Å; F110-L114 HydrophobicContact CZ-CG 4.41Å; F110-L114 WeakPolarHBondContact O-CG 3.46Å; F110-L114 PolarHBondContact O-N 3.16Å
111K87.4Confident79.9Confident79 Ų7960.5 Ų60.534%0.34329%0.29SS..Hα-helixtrans-64.8-30.2173.1-70.1-157.1172-157.70113.2G76 E77 R107 S108 H109 R115G76-K111 PolarHBondContact O-NZ 3.21Å; E77-K111 IonicContact OE1-NZ 3.59Å; E77-K111 PolarHBondContact OE1-NZ 3.05Å; R107-K111 PolarHBondContact O-N 3.37Å; S108-K111 PolarHBondContact O-N 3.01Å; H109-K111 PolarHBondContact O-N 2.97Å; K111-R115 WeakPolarHBondContact O-CG 3.34Å; K111-R115 PolarHBondContact O-N 2.88Å; K111-R115 VanDerWaalsContact O-N 3.09Å
112S89.6Confident82.4Confident44 Ų4456.5 Ų56.531%0.30828%0.279SS..Hα-helixtrans-70-43.5173.5-158.70000112S108 H109 F110 L114 R115 E116S108-S112 WeakPolarHBondContact O-CB 3.44Å; S108-S112 PolarHBondContact O-N 3.25Å; H109-S112 WeakPolarHBondContact O-CB 3.36Å; H109-S112 PolarHBondContact O-N 3.48Å; H109-S112 VanDerWaalsContact O-N 3.12Å; F110-S112 VanDerWaalsContact C-N 3.3Å; F110-S112 PolarHBondContact O-N 3.45Å; S112-L114 VanDerWaalsContact C-N 3.34Å; S112-L114 PolarHBondContact O-N 3.08Å; S112-R115 PolarHBondContact O-N 3.19Å; S112-E116 WeakPolarHBondContact O-CG 3.49Å; S112-E116 PolarHBondContact O-N 3.37Å
113V91.3Very high84.5Confident1 Ų154.9 Ų54.91%0.00627%0.268CS..Hα-helixtrans-61.8-40.5174.1161.90000111.6V35 H109 F110 E116 C117V35-V113 HydrophobicContact CG1-CG1 3.41Å; V35-V113 VanDerWaalsContact CG1-CG1 3.41Å; V35-V113 HydrophobicContact CG2-CG1 4.29Å; H109-V113 VanDerWaalsContact CE1-CG2 3.44Å; H109-V113 WeakPolarHBondContact CE1-CG2 3.43Å; H109-V113 WeakPolarHBondContact O-CG2 3.4Å; H109-V113 PolarHBondContact O-N 3.19Å; F110-V113 PolarHBondContact O-N 2.86Å; V113-E116 WeakPolarHBondContact O-CB 3.34Å; V113-E116 PolarHBondContact O-N 2.9Å; V113-C117 PolarHBondContact O-N 2.91Å; V113-C117 VanDerWaalsContact O-N 3.09Å; V113-C117 PolarHBondContact O-SG 3.35Å; V113-C117 VanDerWaalsContact O-SG 3.41Å
114L92.9Very high86.6Confident2 Ų253.7 Ų53.71%0.0126%0.263CS..Hα-helixtrans-62.3-41.5173.3-76.8168.2000111.7L31 V35 M74 F110 S112 C117 L118L31-L114 HydrophobicContact CB-CD2 4.42Å; L31-L114 HydrophobicContact CD2-CD2 4.03Å; L31-L114 HydrophobicContact CG-CD2 3.84Å; V35-L114 HydrophobicContact CG2-CD2 3.99Å; M74-L114 HydrophobicContact CE-CB 3.83Å; M74-L114 HydrophobicContact CE-CD1 3.81Å; M74-L114 HydrophobicContact CE-CG 4.39Å; M74-L114 HydrophobicContact SD-CB 3.79Å; M74-L114 HydrophobicContact SD-CD1 3.94Å; M74-L114 HydrophobicContact SD-CD2 4.18Å; M74-L114 HydrophobicContact SD-CG 4.19Å; F110-L114 HydrophobicContact CD1-CD1 3.83Å; F110-L114 HydrophobicContact CE1-CD1 3.52Å; F110-L114 HydrophobicContact CE1-CG 4.38Å; F110-L114 HydrophobicContact CZ-CD1 3.96Å; F110-L114 HydrophobicContact CZ-CG 4.41Å; F110-L114 WeakPolarHBondContact O-CG 3.46Å; F110-L114 PolarHBondContact O-N 3.16Å; S112-L114 VanDerWaalsContact C-N 3.34Å; S112-L114 PolarHBondContact O-N 3.08Å; L114-C117 WeakPolarHBondContact O-CB 3.49Å; L114-C117 PolarHBondContact O-N 3.16Å; L114-C117 VanDerWaalsContact O-N 3.16Å; L114-L118 WeakPolarHBondContact O-CG 3.16Å; L114-L118 PolarHBondContact O-N 3.16Å
115R94.1Very high88.5Confident155 Ų15546.6 Ų46.659%0.58523%0.234SC*.Hα-helixtrans-63.3-42.6173.1-72-166.4-55.6149.67.7112.9K111 S112 C117 L118 D119K111-R115 WeakPolarHBondContact O-CG 3.34Å; K111-R115 PolarHBondContact O-N 2.88Å; K111-R115 VanDerWaalsContact O-N 3.09Å; S112-R115 PolarHBondContact O-N 3.19Å; R115-C117 PolarHBondContact O-N 2.89Å; R115-L118 CarbonylContact O-C 3.54Å; R115-L118 WeakPolarHBondContact O-CA 3.33Å; R115-L118 PolarHBondContact O-N 3.08Å; R115-D119 PolarHBondContact O-N 3.22Å
116E94.8Very high90.4Very high25 Ų2544.2 Ų44.212%0.11722%0.218CC..Hα-helixtrans-54.5-36.9172.7-67166.5-172.900111.7K50 H52 L53 S112 V113 M120 F359K50-E116 IonicContact NZ-OE1 3.7Å; K50-E116 PolarHBondContact NZ-OE1 2.9Å; K50-E116 IonicContact NZ-OE2 3.62Å; K50-E116 PolarHBondContact NZ-OE2 3.04Å; H52-E116 IonicContact CE1-OE2 3.65Å; H52-E116 IonicContact NE2-OE2 3.73Å; H52-E116 PolarHBondContact NE2-OE2 3.23Å; L53-E116 HydrophobicContact CD1-CB 4.43Å; L53-E116 HydrophobicContact CD2-CB 4.04Å; L53-E116 WeakPolarHBondContact CD2-O 3.49Å; S112-E116 WeakPolarHBondContact O-CG 3.49Å; S112-E116 PolarHBondContact O-N 3.37Å; V113-E116 WeakPolarHBondContact O-CB 3.34Å; V113-E116 PolarHBondContact O-N 2.9Å; E116-M120 PolarHBondContact O-N 3.24Å; E116-F359 WeakPolarHBondContact O-CZ 3.32Å
117C96.6Very high91.9Very high0 Ų043.6 Ų43.60%021%0.21CC..Hα-helixtrans-69.2-40.1173-67.30000113L31 L56 V113 L114 R115 M120 L121L31-C117 HydrophobicContact CD1-CB 3.98Å; L31-C117 HydrophobicContact CD2-CB 3.87Å; L31-C117 HydrophobicContact CG-CB 4.3Å; L56-C117 HydrophobicContact CD2-CB 3.58Å; V113-C117 PolarHBondContact O-N 2.91Å; V113-C117 VanDerWaalsContact O-N 3.09Å; V113-C117 PolarHBondContact O-SG 3.35Å; V113-C117 VanDerWaalsContact O-SG 3.41Å; L114-C117 WeakPolarHBondContact O-CB 3.49Å; L114-C117 PolarHBondContact O-N 3.16Å; L114-C117 VanDerWaalsContact O-N 3.16Å; R115-C117 PolarHBondContact O-N 2.89Å; C117-M120 WeakPolarHBondContact O-CB 3.3Å; C117-M120 PolarHBondContact O-N 3.48Å; C117-L121 WeakPolarHBondContact O-CG 3.44Å; C117-L121 PolarHBondContact O-N 3Å
118L96.6Very high93.2Very high12 Ų1240.7 Ų40.76%0.06320%0.199CC..Hα-helixtrans-65.1-43.2175.8-59.9-174.9000111.7L31 M74 L114 R115 M120 L121 E122 W128L31-L118 HydrophobicContact CD2-CD2 3.72Å; M74-L118 HydrophobicContact CB-CD2 4.46Å; M74-L118 HydrophobicContact CG-CD1 4.19Å; M74-L118 HydrophobicContact SD-CD1 4.31Å; L114-L118 WeakPolarHBondContact O-CG 3.16Å; L114-L118 PolarHBondContact O-N 3.16Å; R115-L118 CarbonylContact O-C 3.54Å; R115-L118 WeakPolarHBondContact O-CA 3.33Å; R115-L118 PolarHBondContact O-N 3.08Å; L118-M120 VanDerWaalsContact C-N 3.26Å; L118-M120 PolarHBondContact O-N 3.02Å; L118-L121 HydrophobicContact CD2-CD1 4.14Å; L118-L121 WeakPolarHBondContact O-CB 3.46Å; L118-L121 PolarHBondContact O-N 3.4Å; L118-E122 PolarHBondContact O-N 3.19Å; L118-W128 HydrophobicContact CD1-CD2 4.05Å; L118-W128 HydrophobicContact CD1-CE3 3.95Å; L118-W128 HydrophobicContact CD1-CH2 3.91Å; L118-W128 HydrophobicContact CD1-CZ2 3.99Å; L118-W128 HydrophobicContact CD1-CZ3 3.88Å; L118-W128 HydrophobicContact CD2-CB 4.01Å; L118-W128 HydrophobicContact CD2-CD2 3.78Å; L118-W128 HydrophobicContact CD2-CE3 4.04Å; L118-W128 HydrophobicContact CD2-CG 3.76Å; L118-W128 HydrophobicContact CG-CD2 4.37Å
119D96.9Very high94.1Very high73 Ų7337.9 Ų37.939%0.3918%0.179SC..Hα-helixtrans-56-41.6175-58.1-24.1000110.7R115 C123 F359R115-D119 PolarHBondContact O-N 3.22Å; D119-C123 PolarHBondContact O-N 2.92Å; D119-C123 VanDerWaalsContact O-N 3.11Å; D119-C123 PolarHBondContact O-SG 2.93Å; D119-F359 HydrophobicContact CB-CD2 4.13Å; D119-F359 HydrophobicContact CB-CE2 3.58Å; D119-F359 HydrophobicContact CB-CZ 4.45Å
120M97.6Very high94.8Very high0 Ų037.7 Ų37.70%018%0.178CC..Hα-helixtrans-63.9-45172.1175.7-178.4-79.100112.3L53 L56 F57 E116 C117 L118 E122 C123 L124 F359 M364L53-M120 HydrophobicContact CB-CE 3.75Å; L53-M120 HydrophobicContact CD2-CE 4.22Å; L53-M120 HydrophobicContact CG-CE 4.45Å; L53-M120 WeakPolarHBondContact O-CE 3.27Å; L56-M120 HydrophobicContact CB-SD 4.33Å; L56-M120 HydrophobicContact CD2-SD 4Å; L56-M120 HydrophobicContact CG-SD 4.12Å; F57-M120 HydrophobicContact CB-CE 4.04Å; F57-M120 HydrophobicContact CB-SD 3.88Å; E116-M120 PolarHBondContact O-N 3.24Å; C117-M120 WeakPolarHBondContact O-CB 3.3Å; C117-M120 PolarHBondContact O-N 3.48Å; L118-M120 VanDerWaalsContact C-N 3.26Å; L118-M120 PolarHBondContact O-N 3.02Å; M120-E122 VanDerWaalsContact C-N 3.28Å; M120-E122 PolarHBondContact O-N 3.27Å; M120-C123 WeakPolarHBondContact O-CB 3.42Å; M120-C123 PolarHBondContact O-N 3.38Å; M120-L124 HydrophobicContact CG-CD1 3.79Å; M120-L124 HydrophobicContact CG-CG 4.3Å; M120-L124 VanDerWaalsContact O-CG 3.28Å; M120-L124 WeakPolarHBondContact O-CG 3.43Å; M120-L124 PolarHBondContact O-N 2.95Å; M120-L124 HydrophobicContact SD-CD1 4.32Å; M120-F359 HydrophobicContact CB-CD1 4.46Å; M120-F359 HydrophobicContact CB-CE1 3.79Å; M120-F359 HydrophobicContact CB-CZ 3.92Å; M120-F359 HydrophobicContact CE-CE1 3.85Å; M120-F359 HydrophobicContact CG-CE1 4.4Å; M120-M364 HydrophobicContact CE-CE 3.64Å; M120-M364 HydrophobicContact CE-SD 4.28Å
121L97.6Very high95.4Very high0 Ų036 Ų360%017%0.171CC..Hα-helixtrans-62-37.5-180-69.7172.1000112L31 I60 F72 C117 L118 L124 G125 I126 W128L31-L121 HydrophobicContact CD2-CD1 4.46Å; I60-L121 HydrophobicContact CD1-CD2 3.53Å; F72-L121 HydrophobicContact CB-CD1 3.55Å; F72-L121 HydrophobicContact CD1-CD1 4.34Å; F72-L121 HydrophobicContact CD2-CD1 3.73Å; F72-L121 HydrophobicContact CD2-CD2 3.4Å; F72-L121 HydrophobicContact CD2-CG 4.24Å; F72-L121 HydrophobicContact CE2-CD2 3.5Å; F72-L121 HydrophobicContact CG-CD1 3.6Å; F72-L121 HydrophobicContact CG-CD2 4.06Å; F72-L121 HydrophobicContact CZ-CD2 4.23Å; C117-L121 WeakPolarHBondContact O-CG 3.44Å; C117-L121 PolarHBondContact O-N 3Å; L118-L121 HydrophobicContact CD2-CD1 4.14Å; L118-L121 WeakPolarHBondContact O-CB 3.46Å; L118-L121 PolarHBondContact O-N 3.4Å; L121-L124 CarbonylContact O-C 3.07Å; L121-L124 PolarHBondContact O-N 2.84Å; L121-G125 PolarHBondContact O-N 3.29Å; L121-I126 HydrophobicContact CD2-CB 4.11Å; L121-I126 HydrophobicContact CD2-CG2 3.98Å; L121-I126 PolarHBondContact O-N 2.98Å; L121-W128 HydrophobicContact CD1-CB 4.15Å
122E96.9Very high95.6Very high119 Ų11935.1 Ų35.156%0.55618%0.178SC*.Hα-helixtrans-67.1-42.1174.4-68.9-174.7-173.400111.7L118 M120 L124 G125 W128L118-E122 PolarHBondContact O-N 3.19Å; M120-E122 VanDerWaalsContact C-N 3.28Å; M120-E122 PolarHBondContact O-N 3.27Å; E122-L124 PolarHBondContact O-N 3.41Å; E122-G125 PolarHBondContact O-N 3.31Å; E122-W128 PolarHBondContact OE1-NE1 2.91Å
123C97.3Very high95.7Very high13 Ų1333.3 Ų33.39%0.08817%0.167CC..Hα-helixtrans-60-31.1171-64.30000113D119 M120 D352 F356D119-C123 PolarHBondContact O-N 2.92Å; D119-C123 VanDerWaalsContact O-N 3.11Å; D119-C123 PolarHBondContact O-SG 2.93Å; M120-C123 WeakPolarHBondContact O-CB 3.42Å; M120-C123 PolarHBondContact O-N 3.38Å; C123-D352 PolarHBondContact O-N 2.96Å; C123-F356 HydrophobicContact CB-CB 4.35Å; C123-F356 HydrophobicContact CB-CD2 4.4Å
124L97.5Very high95.8Very high5 Ų533.8 Ų33.83%0.02617%0.169CC..THydrogen-bonded Turntrans-86.8-3.1177.3-64.9174.4000113.6F57 I60 M120 L121 E122 I126 F356 L375 L378F57-L124 HydrophobicContact CD2-CD1 4.21Å; F57-L124 HydrophobicContact CD2-CD2 4.22Å; F57-L124 HydrophobicContact CE2-CD2 4.09Å; I60-L124 HydrophobicContact CD1-CD1 3.83Å; I60-L124 HydrophobicContact CG2-CD1 4.22Å; M120-L124 HydrophobicContact CG-CD1 3.79Å; M120-L124 HydrophobicContact CG-CG 4.3Å; M120-L124 VanDerWaalsContact O-CG 3.28Å; M120-L124 WeakPolarHBondContact O-CG 3.43Å; M120-L124 PolarHBondContact O-N 2.95Å; M120-L124 HydrophobicContact SD-CD1 4.32Å; L121-L124 CarbonylContact O-C 3.07Å; L121-L124 PolarHBondContact O-N 2.84Å; E122-L124 PolarHBondContact O-N 3.41Å; L124-I126 VanDerWaalsContact C-N 3.26Å; L124-I126 HydrophobicContact CB-CD1 4.01Å; L124-I126 HydrophobicContact CB-CG1 4.16Å; L124-I126 HydrophobicContact CD1-CD1 4.48Å; L124-I126 PolarHBondContact O-N 3.38Å; L124-F356 HydrophobicContact CD2-CD2 3.86Å; L124-F356 HydrophobicContact CD2-CE2 3.79Å; L124-F356 HydrophobicContact CG-CD2 4.45Å; L124-F356 HydrophobicContact CG-CE2 4.43Å; L124-L375 HydrophobicContact CD2-CD1 3.46Å; L124-L375 VanDerWaalsContact CD2-CD1 3.46Å; L124-L378 HydrophobicContact CD2-CD1 4.23Å
125G96.7Very high95.9Very high7 Ų733.9 Ų33.97%0.07217%0.17CC..THydrogen-bonded Turntrans67.920-177.500000114.8L121 E122 Q349L121-G125 PolarHBondContact O-N 3.29Å; E122-G125 PolarHBondContact O-N 3.31Å; G125-Q349 PolarHBondContact O-N 3.44Å
126I97.3Very high95.9Very high17 Ų1726.9 Ų26.99%0.08714%0.144CC..  trans-96.1129.3-174.9-66.5173.4000110.2I60 F72 L121 L124I60-I126 HydrophobicContact CB-CD1 4.41Å; I60-I126 HydrophobicContact CD1-CD1 4.15Å; I60-I126 HydrophobicContact CG1-CD1 4.28Å; I60-I126 HydrophobicContact CG2-CD1 3.28Å; F72-I126 HydrophobicContact CD2-CG2 3.86Å; F72-I126 HydrophobicContact CE2-CG2 4.04Å; L121-I126 HydrophobicContact CD2-CB 4.11Å; L121-I126 HydrophobicContact CD2-CG2 3.98Å; L121-I126 PolarHBondContact O-N 2.98Å; L124-I126 VanDerWaalsContact C-N 3.26Å; L124-I126 HydrophobicContact CB-CD1 4.01Å; L124-I126 HydrophobicContact CB-CG1 4.16Å; L124-I126 HydrophobicContact CD1-CD1 4.48Å; L124-I126 PolarHBondContact O-N 3.38Å
127P97.2Very high96Very high14 Ų1426.1 Ų26.19%0.09114%0.142CC..  trans-68.2137-179.427.7-34.2000111.9V71 F72 I346 Y348V71-P127 WeakPolarHBondContact CA-O 3.45Å; V71-P127 HydrophobicContact CG2-CG 4.3Å; F72-P127 PolarHBondContact N-O 2.92Å; F72-P127 VanDerWaalsContact N-O 3.1Å; P127-I346 HydrophobicContact CB-CG2 3.88Å; P127-I346 HydrophobicContact CG-CG2 3.67Å; P127-Y348 HydrophobicContact CG-CD1 4.04Å; P127-Y348 HydrophobicContact CG-CD2 4.49Å; P127-Y348 HydrophobicContact CG-CE1 3.62Å; P127-Y348 HydrophobicContact CG-CE2 4.1Å; P127-Y348 HydrophobicContact CG-CG 4.43Å
128W97.1Very high96Very high82 Ų8226.2 Ų26.231%0.31114%0.142SC..EExtended strand (participates in β ladder)trans-122.3157.2166.267.2-93000110.4F72 M74 L118 L121 E122 Q130F72-W128 HydrophobicContact CB-CB 4.19Å; F72-W128 CarbonylContact O-C 3.29Å; F72-W128 WeakPolarHBondContact O-CA 3.45Å; M74-W128 HydrophobicContact CB-CE3 4.18Å; M74-W128 HydrophobicContact CB-CZ3 4.39Å; L118-W128 HydrophobicContact CD1-CD2 4.05Å; L118-W128 HydrophobicContact CD1-CE3 3.95Å; L118-W128 HydrophobicContact CD1-CH2 3.91Å; L118-W128 HydrophobicContact CD1-CZ2 3.99Å; L118-W128 HydrophobicContact CD1-CZ3 3.88Å; L118-W128 HydrophobicContact CD2-CB 4.01Å; L118-W128 HydrophobicContact CD2-CD2 3.78Å; L118-W128 HydrophobicContact CD2-CE3 4.04Å; L118-W128 HydrophobicContact CD2-CG 3.76Å; L118-W128 HydrophobicContact CG-CD2 4.37Å; L121-W128 HydrophobicContact CD1-CB 4.15Å; E122-W128 PolarHBondContact OE1-NE1 2.91Å; W128-Q130 HydrophobicContact CZ3-CB 4.23Å
129V96.4Very high96Very high14 Ų1425.6 Ų25.69%0.08514%0.139CC..EExtended strand (participates in β ladder)trans-132.7147.6179.6-61.20000110.7V71 F72 V73 M74 M138 L142 L342 I346V71-V129 HydrophobicContact CG1-CG1 4.09Å; V71-V129 HydrophobicContact CG1-CG2 4.41Å; F72-V129 PolarHBondContact O-N 3.47Å; V73-V129 HydrophobicContact CB-CG2 4.36Å; V73-V129 HydrophobicContact CG1-CG2 4.44Å; V73-V129 HydrophobicContact CG2-CG2 3.83Å; M74-V129 WeakPolarHBondContact CB-O 3.3Å; M74-V129 PolarHBondContact N-O 3.38Å; V129-M138 HydrophobicContact CB-CE 3.69Å; V129-M138 HydrophobicContact CG1-CE 4.24Å; V129-M138 HydrophobicContact CG2-CE 3.67Å; V129-M138 HydrophobicContact CG2-CG 3.85Å; V129-L142 HydrophobicContact CG2-CD1 4.1Å; V129-L342 HydrophobicContact CG1-CD2 3.8Å; V129-I346 HydrophobicContact CG1-CG1 4.46Å
130Q95.4Very high96Very high90 Ų9022.2 Ų22.242%0.42112%0.121SC..EExtended strand (participates in β ladder)trans-93123.4176.6-1775862.900110.1M74 E75 W128M74-Q130 PolarHBondContact O-NE2 3.3Å; E75-Q130 VanDerWaalsContact C-NE2 3.34Å; E75-Q130 PolarHBondContact O-NE2 3.33Å; W128-Q130 HydrophobicContact CZ3-CB 4.23Å
131A95.3Very high96Very high3 Ų325.3 Ų25.33%0.02513%0.133CC..  trans-73.7145166.900000110.6V73 M74 G76 M138 D340V73-A131 HydrophobicContact CG1-CB 4.15Å; M74-A131 WeakPolarHBondContact O-CB 3.25Å; M74-A131 PolarHBondContact O-N 3.28Å; G76-A131 WeakPolarHBondContact CA-O 3.5Å; A131-M138 HydrophobicContact CB-CB 3.7Å; A131-M138 HydrophobicContact CB-CG 4.38Å; A131-D340 WeakPolarHBondContact CA-OD1 3.47Å
132A93.1Very high96Very high61 Ų6125.3 Ų25.350%0.50413%0.133SC..SBendtrans-75.5-30.2171.300000111.8K339 D340A132-K339 HydrophobicContact CB-CB 4.2Å; A132-D340 PolarHBondContact N-OD1 2.79Å
133G91.6Very high96.1Very high7 Ų720.3 Ų20.37%0.07211%0.11CC..SBendtrans-130.6-115.8175.200000111.1G76G76-G133 WeakPolarHBondContact CA-O 3.49Å; G76-G133 PolarHBondContact N-O 3.05Å
134E92.8Very high96Very high11 Ų1122.9 Ų22.95%0.05113%0.132CC..  trans-79.8146.3-179.1-47.7-136.7111.700111.3P79 K82 E136 A137 Y209P79-E134 HydrophobicContact CG-CG 4.28Å; K82-E134 WeakPolarHBondContact CD-OE1 3.44Å; K82-E134 VanDerWaalsContact CE-OE1 3.31Å; K82-E134 WeakPolarHBondContact CE-OE1 3.37Å; K82-E134 IonicContact NZ-OE1 3.53Å; K82-E134 PolarHBondContact NZ-OE1 3.41Å; K82-E134 IonicContact NZ-OE2 2.75Å; K82-E134 PolarHBondContact NZ-OE2 2.94Å; E134-E136 PolarHBondContact O-N 3.39Å; E134-A137 WeakPolarHBondContact O-CB 3.31Å; E134-A137 PolarHBondContact O-N 3.01Å; E134-A137 VanDerWaalsContact O-N 3.13Å; E134-Y209 VanDerWaalsContact OE2-CE1 3.24Å; E134-Y209 WeakPolarHBondContact OE2-CE1 3.4Å; E134-Y209 PolarHBondContact OE2-OH 2.93Å
135A94.8Very high95.8Very high3 Ų324.7 Ų24.73%0.02515%0.152CC..Hα-helixtrans-59.5-35179.400000112.3D30 V73 A137 M138 C139D30-A135 HydrophobicContact CB-CB 4.29Å; D30-A135 VanDerWaalsContact CG-CB 3.49Å; V73-A135 HydrophobicContact CB-CB 4.35Å; V73-A135 HydrophobicContact CG1-CB 3.75Å; A135-A137 VanDerWaalsContact C-N 3.29Å; A135-A137 PolarHBondContact O-N 2.85Å; A135-M138 PolarHBondContact O-N 3.01Å; A135-C139 WeakPolarHBondContact O-CB 3.27Å; A135-C139 PolarHBondContact O-N 2.92Å; A135-C139 PolarHBondContact O-SG 3.17Å
136E95.3Very high95.8Very high9 Ų927.4 Ų27.44%0.04218%0.18CC..Hα-helixtrans-61.8-32.3177.2-61.1-56159.200114E134 A140 T153 D155 T158 Y161E134-E136 PolarHBondContact O-N 3.39Å; E136-A140 VanDerWaalsContact O-CB 3.32Å; E136-A140 WeakPolarHBondContact O-CB 3.27Å; E136-A140 PolarHBondContact O-N 2.89Å; E136-T153 VanDerWaalsContact CD-OG1 3.31Å; E136-T153 WeakPolarHBondContact OE1-CB 3.19Å; E136-T153 PolarHBondContact OE1-OG1 3.01Å; E136-T153 WeakPolarHBondContact OE2-CG2 3.45Å; E136-D155 HydrophobicContact CG-CB 4.17Å; E136-T158 HydrophobicContact CB-CG2 4.33Å; E136-T158 WeakPolarHBondContact OE2-CB 3.35Å; E136-T158 WeakPolarHBondContact OE2-CG2 3.46Å; E136-T158 PolarHBondContact OE2-OG1 2.82Å; E136-Y161 HydrophobicContact CB-CD2 4.31Å
137A95.8Very high95.7Very high8 Ų830.7 Ų30.77%0.06620%0.195CC..Hα-helixtrans-65.8-46.8176.100000111E134 A135 A140 Y141 Y161 D340E134-A137 WeakPolarHBondContact O-CB 3.31Å; E134-A137 PolarHBondContact O-N 3.01Å; E134-A137 VanDerWaalsContact O-N 3.13Å; A135-A137 VanDerWaalsContact C-N 3.29Å; A135-A137 PolarHBondContact O-N 2.85Å; A137-A140 PolarHBondContact O-N 3.08Å; A137-Y141 WeakPolarHBondContact O-CB 3.28Å; A137-Y141 PolarHBondContact O-N 3.45Å; A137-Y161 HydrophobicContact CB-CD1 3.72Å; A137-Y161 HydrophobicContact CB-CD2 4.03Å; A137-Y161 HydrophobicContact CB-CE1 3.59Å; A137-Y161 HydrophobicContact CB-CE2 3.9Å; A137-Y161 HydrophobicContact CB-CG 3.93Å; A137-D340 WeakPolarHBondContact CB-OD2 3.32Å
138M96.8Very high95.7Very high2 Ų230.3 Ų30.31%0.0119%0.192CC..Hα-helixtrans-69.7-37.9177.3-178.255.416100112V73 V129 A131 A135 A140 Y141 L142 D340 L342V73-M138 HydrophobicContact CG1-CB 3.76Å; V73-M138 HydrophobicContact CG1-CG 3.87Å; V73-M138 HydrophobicContact CG2-CG 4.34Å; V129-M138 HydrophobicContact CB-CE 3.69Å; V129-M138 HydrophobicContact CG1-CE 4.24Å; V129-M138 HydrophobicContact CG2-CE 3.67Å; V129-M138 HydrophobicContact CG2-CG 3.85Å; A131-M138 HydrophobicContact CB-CB 3.7Å; A131-M138 HydrophobicContact CB-CG 4.38Å; A135-M138 PolarHBondContact O-N 3.01Å; M138-A140 PolarHBondContact O-N 3.32Å; M138-Y141 HydrophobicContact CE-CD1 4.48Å; M138-Y141 PolarHBondContact O-N 3.13Å; M138-Y141 HydrophobicContact SD-CD1 3.63Å; M138-Y141 HydrophobicContact SD-CE1 4.34Å; M138-L142 HydrophobicContact CE-CD2 4.28Å; M138-L142 WeakPolarHBondContact O-CG 3.37Å; M138-L142 PolarHBondContact O-N 2.75Å; M138-L142 HydrophobicContact SD-CG 4.36Å; M138-D340 HydrophobicContact CB-CB 4.33Å; M138-D340 HydrophobicContact SD-CB 3.71Å; M138-L342 HydrophobicContact CE-CD2 3.91Å; M138-L342 HydrophobicContact CE-CG 4.27Å
139C97.4Very high95.8Very high0 Ų030.2 Ų30.20%020%0.198CC..Hα-helixtrans-54.9-50.8169.5-80.70000111.5A28 V73 A135 L142 N143 C151 T158A28-C139 HydrophobicContact CB-CB 4.47Å; V73-C139 VanDerWaalsContact CG2-SG 3.55Å; A135-C139 WeakPolarHBondContact O-CB 3.27Å; A135-C139 PolarHBondContact O-N 2.92Å; A135-C139 PolarHBondContact O-SG 3.17Å; C139-L142 PolarHBondContact O-N 3.47Å; C139-N143 PolarHBondContact O-N 3.37Å; C139-N143 VanDerWaalsContact O-N 3.14Å; C139-C151 HydrophobicContact CB-CB 4.06Å; C139-C151 PolarHBondContact O-SG 2.94Å; C139-T158 HydrophobicContact CB-CG2 4.05Å
140A97.3Very high95.8Very high1 Ų129.5 Ų29.51%0.00819%0.194CC..Hα-helixtrans-64.2-41.4178.600000112.4E136 A137 M138 N143 A144 T158 A163E136-A140 VanDerWaalsContact O-CB 3.32Å; E136-A140 WeakPolarHBondContact O-CB 3.27Å; E136-A140 PolarHBondContact O-N 2.89Å; A137-A140 PolarHBondContact O-N 3.08Å; M138-A140 PolarHBondContact O-N 3.32Å; A140-N143 PolarHBondContact O-N 2.68Å; A140-A144 VanDerWaalsContact O-CB 3.29Å; A140-A144 WeakPolarHBondContact O-CB 3.35Å; A140-A144 PolarHBondContact O-N 3.49Å; A140-T158 HydrophobicContact CB-CG2 4.16Å; A140-T158 WeakPolarHBondContact CB-O 3.45Å; A140-A163 HydrophobicContact CB-CB 4.03Å
141Y97.3Very high96Very high66 Ų6625.2 Ų25.226%0.25917%0.174SC..Hα-helixtrans-59.9-45.8175.1171.4-105.1000112.1A137 M138 N143 G145 N338 D340 L342A137-Y141 WeakPolarHBondContact O-CB 3.28Å; A137-Y141 PolarHBondContact O-N 3.45Å; M138-Y141 HydrophobicContact CE-CD1 4.48Å; M138-Y141 PolarHBondContact O-N 3.13Å; M138-Y141 HydrophobicContact SD-CD1 3.63Å; M138-Y141 HydrophobicContact SD-CE1 4.34Å; Y141-N143 VanDerWaalsContact C-N 3.32Å; Y141-N143 PolarHBondContact O-N 3.46Å; Y141-G145 PolarHBondContact O-N 2.74Å; Y141-N338 VanDerWaalsContact CD2-ND2 3.28Å; Y141-N338 WeakPolarHBondContact CD2-ND2 3.5Å; Y141-N338 VanDerWaalsContact CE2-ND2 3.33Å; Y141-N338 WeakPolarHBondContact CE2-ND2 3.42Å; Y141-D340 HydrophobicContact CD1-CB 4.27Å; Y141-D340 HydrophobicContact CG-CB 4.31Å; Y141-L342 HydrophobicContact CE1-CG 4.32Å
142L97.3Very high96.1Very high0 Ų025.4 Ų25.40%018%0.175CC..Hα-helixtrans-60.5-40.9175.9-71.3-177.7000112.2A28 V71 V73 V129 M138 C139 G146 H147 V148 L342 I346A28-L142 HydrophobicContact CB-CD1 4Å; V71-L142 HydrophobicContact CG1-CD1 4.08Å; V73-L142 HydrophobicContact CG2-CD1 4.32Å; V129-L142 HydrophobicContact CG2-CD1 4.1Å; M138-L142 HydrophobicContact CE-CD2 4.28Å; M138-L142 WeakPolarHBondContact O-CG 3.37Å; M138-L142 PolarHBondContact O-N 2.75Å; M138-L142 HydrophobicContact SD-CG 4.36Å; C139-L142 PolarHBondContact O-N 3.47Å; L142-G146 PolarHBondContact O-N 2.86Å; L142-H147 HydrophobicContact CB-CB 4.37Å; L142-H147 HydrophobicContact CD2-CB 3.96Å; L142-H147 WeakPolarHBondContact O-CB 3.35Å; L142-H147 PolarHBondContact O-N 2.65Å; L142-V148 HydrophobicContact CB-CG1 4.27Å; L142-V148 HydrophobicContact CB-CG2 3.87Å; L142-V148 HydrophobicContact CD1-CG1 4.38Å; L142-V148 PolarHBondContact O-N 2.71Å; L142-L342 HydrophobicContact CD2-CD1 3.92Å; L142-L342 HydrophobicContact CD2-CD2 4.02Å; L142-L342 HydrophobicContact CD2-CG 4.1Å; L142-I346 HydrophobicContact CD2-CD1 3.94Å
143N97.8Very high96.1Very high14 Ų1422.8 Ų22.88%0.07515%0.152CC..Hα-helixtrans-74.9-42.1-178.9-178.2-130.4000112.4C139 A140 Y141 G145 G146 V148 D149 G150 Q164 T165C139-N143 PolarHBondContact O-N 3.37Å; C139-N143 VanDerWaalsContact O-N 3.14Å; A140-N143 PolarHBondContact O-N 2.68Å; Y141-N143 VanDerWaalsContact C-N 3.32Å; Y141-N143 PolarHBondContact O-N 3.46Å; N143-G145 VanDerWaalsContact C-N 3.29Å; N143-G145 PolarHBondContact O-N 2.99Å; N143-G146 PolarHBondContact O-N 2.89Å; N143-G146 VanDerWaalsContact O-N 3.16Å; N143-V148 HydrophobicContact CB-CG2 3.85Å; N143-V148 PolarHBondContact ND2-O 3.21Å; N143-D149 VanDerWaalsContact ND2-C 3.26Å; N143-D149 PolarHBondContact ND2-O 3.03Å; N143-G150 WeakPolarHBondContact ND2-CA 3.33Å; N143-G150 PolarHBondContact ND2-N 3.48Å; N143-Q164 WeakPolarHBondContact OD1-CA 3.26Å; N143-Q164 PolarHBondContact OD1-N 3.48Å; N143-T165 PolarHBondContact OD1-N 3.16Å
144A95.6Very high96.2Very high66 Ų6624.4 Ų24.455%0.54516%0.159SC..Hα-helixtrans-66.7-30.317500000112.8A140 G146A140-A144 VanDerWaalsContact O-CB 3.29Å; A140-A144 WeakPolarHBondContact O-CB 3.35Å; A140-A144 PolarHBondContact O-N 3.49Å; A144-G146 VanDerWaalsContact C-N 3.29Å
145G94.3Very high96.1Very high43 Ų4324.3 Ų24.344%0.44316%0.159SC..THydrogen-bonded Turntrans-79.7-1.4172.700000115.1Y141 N143 H147Y141-G145 PolarHBondContact O-N 2.74Å; N143-G145 VanDerWaalsContact C-N 3.29Å; N143-G145 PolarHBondContact O-N 2.99Å; G145-H147 VanDerWaalsContact C-N 3.25Å; G145-H147 PolarHBondContact O-N 2.87Å
146G95.3Very high95.9Very high65 Ų6524.2 Ų24.267%0.6716%0.158SC*.THydrogen-bonded Turntrans70.216.6-178.500000114.8L142 N143 A144L142-G146 PolarHBondContact O-N 2.86Å; N143-G146 PolarHBondContact O-N 2.89Å; N143-G146 VanDerWaalsContact O-N 3.16Å; A144-G146 VanDerWaalsContact C-N 3.29Å
147H96.4Very high95.9Very high85 Ų8523.8 Ų23.839%0.39416%0.156SC..SBendtrans-80-21.3175.7-59.7-57.7000112.8L142 G145 L342 I346L142-H147 HydrophobicContact CB-CB 4.37Å; L142-H147 HydrophobicContact CD2-CB 3.96Å; L142-H147 WeakPolarHBondContact O-CB 3.35Å; L142-H147 PolarHBondContact O-N 2.65Å; G145-H147 VanDerWaalsContact C-N 3.25Å; G145-H147 PolarHBondContact O-N 2.87Å; H147-L342 WeakPolarHBondContact NE2-CD1 3.45Å; H147-I346 HydrophobicContact CB-CD1 4.13Å
148V97.7Very high95.9Very high6 Ų623.4 Ų23.44%0.03615%0.153CC..SBendtrans-141.7149.3173.6-55.80000110.5T26 A28 V71 L142 N143 G150T26-V148 HydrophobicContact CG2-CG1 4Å; T26-V148 CarbonylContact O-C 3.36Å; T26-V148 WeakPolarHBondContact O-CB 3.25Å; A28-V148 HydrophobicContact CB-CB 4.43Å; A28-V148 HydrophobicContact CB-CG1 4.11Å; A28-V148 HydrophobicContact CB-CG2 3.83Å; V71-V148 HydrophobicContact CB-CG1 4.41Å; V71-V148 HydrophobicContact CG2-CG1 4.06Å; L142-V148 HydrophobicContact CB-CG1 4.27Å; L142-V148 HydrophobicContact CB-CG2 3.87Å; L142-V148 HydrophobicContact CD1-CG1 4.38Å; L142-V148 PolarHBondContact O-N 2.71Å; N143-V148 HydrophobicContact CB-CG2 3.85Å; N143-V148 PolarHBondContact ND2-O 3.21Å; V148-G150 VanDerWaalsContact C-N 3.29Å; V148-G150 WeakPolarHBondContact CG2-O 3.24Å; V148-G150 PolarHBondContact O-N 3.15Å
149D98Very high95.9Very high80 Ų8023.4 Ų23.443%0.42815%0.153SC..SBendtrans-75.3-16.7179.2-59-79.1000113.5K25 T26 N143 T165K25-D149 WeakPolarHBondContact CA-OD2 3.38Å; K25-D149 HydrophobicContact CB-CB 4.11Å; K25-D149 HydrophobicContact CD-CB 4.4Å; K25-D149 HydrophobicContact CG-CB 4.25Å; T26-D149 PolarHBondContact N-OD2 3.27Å; T26-D149 PolarHBondContact O-N 2.98Å; N143-D149 VanDerWaalsContact ND2-C 3.26Å; N143-D149 PolarHBondContact ND2-O 3.03Å; D149-T165 VanDerWaalsContact O-CB 3.25Å; D149-T165 WeakPolarHBondContact O-CB 3.25Å; D149-T165 PolarHBondContact O-OG1 2.92Å
150G97.4Very high95.8Very high0 Ų023.4 Ų23.40%015%0.153CC..EExtended strand (participates in β ladder)trans-177.7172.3172.600000114.2I27 A28 N143 V148 T165I27-G150 WeakPolarHBondContact CA-O 2.97Å; A28-G150 PolarHBondContact N-O 3.15Å; N143-G150 WeakPolarHBondContact ND2-CA 3.33Å; N143-G150 PolarHBondContact ND2-N 3.48Å; V148-G150 VanDerWaalsContact C-N 3.29Å; V148-G150 WeakPolarHBondContact CG2-O 3.24Å; V148-G150 PolarHBondContact O-N 3.15Å; G150-T165 CarbonylContact C-O 3.42Å; G150-T165 VanDerWaalsContact CA-O 3.26Å; G150-T165 WeakPolarHBondContact CA-O 3.48Å
151C97.9Very high95.8Very high0 Ų024.4 Ų24.40%016%0.157CC..EExtended strand (participates in β ladder)trans-103.1136.7178.4-45.60000109.8A28 C139 T158 T165 V166 Y167A28-C151 CarbonylContact O-C 3.47Å; A28-C151 WeakPolarHBondContact O-CA 3.43Å; C139-C151 HydrophobicContact CB-CB 4.06Å; C139-C151 PolarHBondContact O-SG 2.94Å; C151-T158 HydrophobicContact CB-CG2 3.97Å; C151-T165 PolarHBondContact N-O 3.46Å; C151-V166 CarbonylContact O-C 3.58Å; C151-V166 WeakPolarHBondContact O-CA 3.4Å; C151-Y167 PolarHBondContact O-N 3.04Å
152L97.3Very high95.7Very high7 Ų721.5 Ų21.54%0.03715%0.147CC..EExtended strand (participates in β ladder)trans-105.9109.1172.717051.8000109.9I27 A28 V29 D30 W34 Y167 F170 V179I27-L152 HydrophobicContact CG2-CB 3.58Å; A28-L152 PolarHBondContact O-N 2.8Å; V29-L152 HydrophobicContact CG2-CB 4.33Å; V29-L152 HydrophobicContact CG2-CD2 4.35Å; D30-L152 PolarHBondContact N-O 2.8Å; W34-L152 HydrophobicContact CZ2-CD2 3.74Å; L152-Y167 WeakPolarHBondContact CA-O 3.48Å; L152-Y167 WeakPolarHBondContact CD1-O 3.32Å; L152-F170 HydrophobicContact CD1-CB 3.73Å; L152-F170 HydrophobicContact CD2-CB 4.38Å; L152-F170 HydrophobicContact CD2-CD2 4.19Å; L152-F170 HydrophobicContact CD2-CG 4.32Å; L152-V179 HydrophobicContact CD1-CG1 4.42Å
153T94.9Very high95.7Very high5 Ų521.5 Ų21.53%0.03115%0.147CC..  trans-159160-174.51770000111.7L33 E136 D155 T158 V166 Y167 R168L33-T153 WeakPolarHBondContact CD1-OG1 3.42Å; E136-T153 VanDerWaalsContact CD-OG1 3.31Å; E136-T153 WeakPolarHBondContact OE1-CB 3.19Å; E136-T153 PolarHBondContact OE1-OG1 3.01Å; E136-T153 WeakPolarHBondContact OE2-CG2 3.45Å; T153-D155 PolarHBondContact OG1-N 3.33Å; T153-T158 HydrophobicContact CG2-CG2 4.46Å; T153-T158 WeakPolarHBondContact CG2-OG1 3.42Å; T153-V166 HydrophobicContact CG2-CG1 3.67Å; T153-Y167 PolarHBondContact N-O 3.4Å; T153-R168 VanDerWaalsContact O-CA 3.28Å; T153-R168 WeakPolarHBondContact O-CA 3.18Å; T153-R168 WeakPolarHBondContact O-CB 3.16Å
154N91.9Very high95.7Very high41 Ų4125.4 Ų25.422%0.21917%0.165CC..SBendtrans-105.5-2170-66.3-41000112.8W7 N169W7-N154 PolarHBondContact NE1-O 3.34Å; N154-N169 PolarHBondContact OD1-N 2.78Å
155D92.3Very high95.8Very high9 Ų923.5 Ų23.55%0.04815%0.146CC..  trans-90.1145.3176.7-154.2-62.6000111M1 G2 W7 L33 E136 T153 D157 T158M1-D155 VanDerWaalsContact C-OD1 3.31Å; M1-D155 WeakPolarHBondContact CA-OD2 3.31Å; M1-D155 VanDerWaalsContact CB-OD2 3.24Å; M1-D155 WeakPolarHBondContact CB-OD2 3.29Å; M1-D155 WeakPolarHBondContact CE-OD2 3.25Å; G2-D155 WeakPolarHBondContact CA-OD1 3.44Å; G2-D155 VanDerWaalsContact N-CG 3.31Å; G2-D155 PolarHBondContact N-OD1 2.96Å; G2-D155 PolarHBondContact N-OD2 3.35Å; W7-D155 WeakPolarHBondContact CZ2-O 3.46Å; L33-D155 HydrophobicContact CD1-CB 4.46Å; E136-D155 HydrophobicContact CG-CB 4.17Å; T153-D155 PolarHBondContact OG1-N 3.33Å; D155-D157 PolarHBondContact OD1-N 2.87Å; D155-D157 VanDerWaalsContact OD1-N 3.11Å; D155-T158 PolarHBondContact O-OG1 3.21Å
156G90.4Very high95.9Very high1 Ų121.4 Ų21.41%0.0113%0.125CC..SBendtrans-90.6-16.4-175.600000114.4T158 F159G156-T158 PolarHBondContact O-N 2.86Å; G156-F159 PolarHBondContact O-N 3.46Å
157D94.4Very high96.1Very high1 Ų118.6 Ų18.61%0.0059%0.094CC..THydrogen-bonded Turntrans-70.7-15.5-170.5-74.66.2000112.7G2 V3 D155 F159 L160 Y161 F335G2-D157 WeakPolarHBondContact CA-OD1 3.25Å; V3-D157 WeakPolarHBondContact CG2-OD1 3.3Å; V3-D157 PolarHBondContact N-OD1 3.17Å; D155-D157 PolarHBondContact OD1-N 2.87Å; D155-D157 VanDerWaalsContact OD1-N 3.11Å; D157-F159 PolarHBondContact O-N 3.35Å; D157-L160 WeakPolarHBondContact O-CB 3.35Å; D157-L160 PolarHBondContact O-N 2.84Å; D157-Y161 WeakPolarHBondContact O-CD2 3.48Å; D157-Y161 PolarHBondContact O-N 3.25Å; D157-F335 HydrophobicContact CB-CE1 3.97Å
158T95.9Very high96Very high0 Ų016.6 Ų16.60%08%0.083CC..Hα-helixtrans-54.6-35.8171.1-17.90000113.1E136 C139 A140 C151 T153 D155 G156 G162 A163E136-T158 HydrophobicContact CB-CG2 4.33Å; E136-T158 WeakPolarHBondContact OE2-CB 3.35Å; E136-T158 WeakPolarHBondContact OE2-CG2 3.46Å; E136-T158 PolarHBondContact OE2-OG1 2.82Å; C139-T158 HydrophobicContact CB-CG2 4.05Å; A140-T158 HydrophobicContact CB-CG2 4.16Å; A140-T158 WeakPolarHBondContact CB-O 3.45Å; C151-T158 HydrophobicContact CB-CG2 3.97Å; T153-T158 HydrophobicContact CG2-CG2 4.46Å; T153-T158 WeakPolarHBondContact CG2-OG1 3.42Å; D155-T158 PolarHBondContact O-OG1 3.21Å; G156-T158 PolarHBondContact O-N 2.86Å; T158-G162 PolarHBondContact O-N 3.26Å; T158-G162 VanDerWaalsContact O-N 3.1Å; T158-A163 HydrophobicContact CG2-CB 3.94Å; T158-A163 WeakPolarHBondContact O-CB 3.37Å; T158-A163 PolarHBondContact O-N 3.39Å
159F96.5Very high95.8Very high1 Ų117.2 Ų17.20%0.0049%0.087CC..Hα-helixtrans-70.4-33.1175.8-79.4-65.5000112.5W7 L10 G156 D157 G162 V166 M184 I187 L198W7-F159 HydrophobicContact CH2-CE2 4.19Å; W7-F159 HydrophobicContact CZ3-CE2 4.36Å; L10-F159 HydrophobicContact CD1-CD2 4.17Å; L10-F159 HydrophobicContact CD1-CE2 4.09Å; G156-F159 PolarHBondContact O-N 3.46Å; D157-F159 PolarHBondContact O-N 3.35Å; F159-G162 WeakPolarHBondContact O-CA 3.41Å; F159-G162 PolarHBondContact O-N 3.47Å; F159-G162 VanDerWaalsContact O-N 3.11Å; F159-V166 HydrophobicContact CD1-CG2 4.26Å; F159-V166 HydrophobicContact CD2-CG2 4.07Å; F159-V166 HydrophobicContact CE1-CB 4.38Å; F159-V166 HydrophobicContact CE1-CG2 3.82Å; F159-V166 HydrophobicContact CE2-CB 3.74Å; F159-V166 HydrophobicContact CE2-CG1 4.39Å; F159-V166 HydrophobicContact CE2-CG2 3.61Å; F159-V166 HydrophobicContact CG-CG2 4.37Å; F159-V166 HydrophobicContact CZ-CB 3.6Å; F159-V166 HydrophobicContact CZ-CG2 3.47Å; F159-V166 VanDerWaalsContact CZ-CG2 3.47Å; F159-M184 HydrophobicContact CD1-SD 4.01Å; F159-M184 HydrophobicContact CE1-SD 4.48Å; F159-I187 HydrophobicContact CD1-CD1 4.06Å; F159-I187 HydrophobicContact CE1-CD1 3.6Å; F159-I187 HydrophobicContact CE2-CD1 4.17Å; F159-I187 HydrophobicContact CZ-CD1 3.66Å; F159-L198 HydrophobicContact CB-CD1 3.9Å; F159-L198 HydrophobicContact CG-CD1 4.49Å
160L95.7Very high95.5Very high0 Ų014 Ų140%07%0.069CC..Hα-helixtrans-73.2-35.1178.2-73.456.1000110.5V3 L6 D157 G162 R195 L198 V199 A202 F335V3-L160 HydrophobicContact CG2-CD1 3.97Å; V3-L160 HydrophobicContact CG2-CD2 3.62Å; V3-L160 HydrophobicContact CG2-CG 4.46Å; L6-L160 HydrophobicContact CD2-CD1 4.31Å; D157-L160 WeakPolarHBondContact O-CB 3.35Å; D157-L160 PolarHBondContact O-N 2.84Å; L160-G162 PolarHBondContact O-N 2.94Å; L160-R195 PolarHBondContact O-NE 2.91Å; L160-R195 PolarHBondContact O-NH2 2.76Å; L160-L198 HydrophobicContact CD1-CB 4.08Å; L160-V199 HydrophobicContact CB-CG2 3.87Å; L160-V199 HydrophobicContact CG-CG2 3.95Å; L160-A202 HydrophobicContact CD2-CB 3.55Å; L160-F335 HydrophobicContact CB-CB 4.29Å; L160-F335 HydrophobicContact CB-CD1 3.48Å; L160-F335 VanDerWaalsContact CB-CD1 3.48Å; L160-F335 HydrophobicContact CB-CE1 3.84Å; L160-F335 HydrophobicContact CB-CG 3.87Å; L160-F335 HydrophobicContact CD2-CD1 3.92Å; L160-F335 HydrophobicContact CD2-CD2 4.06Å; L160-F335 HydrophobicContact CD2-CE1 3.55Å; L160-F335 HydrophobicContact CD2-CE2 3.7Å; L160-F335 HydrophobicContact CD2-CG 4.16Å; L160-F335 HydrophobicContact CD2-CZ 3.42Å; L160-F335 VanDerWaalsContact CD2-CZ 3.42Å; L160-F335 HydrophobicContact CG-CD1 4.38Å; L160-F335 HydrophobicContact CG-CE1 4.4Å
161Y96.4Very high95.2Very high22 Ų2214.6 Ų14.69%0.0867%0.073CC..Hα-helixtrans-70.2-14.1167.4-77-64000114E136 A137 D157 R195 Y209 E334 F335E136-Y161 HydrophobicContact CB-CD2 4.31Å; A137-Y161 HydrophobicContact CB-CD1 3.72Å; A137-Y161 HydrophobicContact CB-CD2 4.03Å; A137-Y161 HydrophobicContact CB-CE1 3.59Å; A137-Y161 HydrophobicContact CB-CE2 3.9Å; A137-Y161 HydrophobicContact CB-CG 3.93Å; D157-Y161 WeakPolarHBondContact O-CD2 3.48Å; D157-Y161 PolarHBondContact O-N 3.25Å; Y161-R195 VanDerWaalsContact C-NH2 3.34Å; Y161-R195 VanDerWaalsContact O-CZ 3.27Å; Y161-R195 PolarHBondContact O-NH2 2.74Å; Y161-Y209 WeakPolarHBondContact CE2-OH 3.44Å; Y161-Y209 PolarHBondContact OH-OH 2.86Å; Y161-E334 VanDerWaalsContact CE1-O 3.26Å; Y161-E334 WeakPolarHBondContact CE1-O 3.49Å; Y161-E334 PolarHBondContact OH-OE1 3.07Å; Y161-F335 HydrophobicContact CD2-CD1 4.27Å; Y161-F335 HydrophobicContact CE1-CD1 4.46Å; Y161-F335 HydrophobicContact CE2-CD1 4.16Å; Y161-F335 HydrophobicContact CE2-CE1 4.31Å; Y161-F335 HydrophobicContact CG-CD1 4.5Å
162G95.6Very high94.7Very high6 Ų615.1 Ų15.16%0.0628%0.075CC..THydrogen-bonded Turntrans108.817.516600000116.6T158 F159 L160 Q164T158-G162 PolarHBondContact O-N 3.26Å; T158-G162 VanDerWaalsContact O-N 3.1Å; F159-G162 WeakPolarHBondContact O-CA 3.41Å; F159-G162 PolarHBondContact O-N 3.47Å; F159-G162 VanDerWaalsContact O-N 3.11Å; L160-G162 PolarHBondContact O-N 2.94Å; G162-Q164 PolarHBondContact O-NE2 3.49Å
163A97.3Very high94.1Very high0 Ų016 Ų160%08%0.08CC..  trans-57.3145.117300000112.3A140 T158 V166A140-A163 HydrophobicContact CB-CB 4.03Å; T158-A163 HydrophobicContact CG2-CB 3.94Å; T158-A163 WeakPolarHBondContact O-CB 3.37Å; T158-A163 PolarHBondContact O-N 3.39Å; A163-V166 HydrophobicContact CB-CG2 4.01Å
164Q97.4Very high93.5Very high96 Ų9621.3 Ų21.345%0.44911%0.113SC..SBendtrans-97.3-31.1178.8-58.5-54.4-59.100112.3N143 G162 T183 M184N143-Q164 WeakPolarHBondContact OD1-CA 3.26Å; N143-Q164 PolarHBondContact OD1-N 3.48Å; G162-Q164 PolarHBondContact O-NE2 3.49Å; Q164-T183 CarbonylContact O-C 3.42Å; Q164-T183 WeakPolarHBondContact O-CA 3.19Å; Q164-M184 PolarHBondContact O-N 2.82Å
165T97.8Very high93.1Very high25 Ų2527 Ų2715%0.15314%0.135CC..EExtended strand (participates in β ladder)trans-134.2123.3178.9-53.80000110.1N143 D149 G150 C151 Y167 T183N143-T165 PolarHBondContact OD1-N 3.16Å; D149-T165 VanDerWaalsContact O-CB 3.25Å; D149-T165 WeakPolarHBondContact O-CB 3.25Å; D149-T165 PolarHBondContact O-OG1 2.92Å; G150-T165 CarbonylContact C-O 3.42Å; G150-T165 VanDerWaalsContact CA-O 3.26Å; G150-T165 WeakPolarHBondContact CA-O 3.48Å; C151-T165 PolarHBondContact N-O 3.46Å; T165-Y167 HydrophobicContact CG2-CD2 4.48Å; T165-Y167 HydrophobicContact CG2-CE1 4.21Å; T165-Y167 HydrophobicContact CG2-CE2 3.83Å; T165-T183 HydrophobicContact CG2-CG2 4.1Å
166V98Very high92.9Very high0 Ų029.7 Ų29.70%015%0.15CC..EExtended strand (participates in β ladder)trans-122.2130.8174.1179.70000110W7 C151 T153 F159 A163 C181 Y182W7-V166 HydrophobicContact CH2-CG1 4.28Å; C151-V166 CarbonylContact O-C 3.58Å; C151-V166 WeakPolarHBondContact O-CA 3.4Å; T153-V166 HydrophobicContact CG2-CG1 3.67Å; F159-V166 HydrophobicContact CD1-CG2 4.26Å; F159-V166 HydrophobicContact CD2-CG2 4.07Å; F159-V166 HydrophobicContact CE1-CB 4.38Å; F159-V166 HydrophobicContact CE1-CG2 3.82Å; F159-V166 HydrophobicContact CE2-CB 3.74Å; F159-V166 HydrophobicContact CE2-CG1 4.39Å; F159-V166 HydrophobicContact CE2-CG2 3.61Å; F159-V166 HydrophobicContact CG-CG2 4.37Å; F159-V166 HydrophobicContact CZ-CB 3.6Å; F159-V166 HydrophobicContact CZ-CG2 3.47Å; F159-V166 VanDerWaalsContact CZ-CG2 3.47Å; A163-V166 HydrophobicContact CB-CG2 4.01Å; V166-C181 WeakPolarHBondContact O-CA 3.42Å; V166-Y182 PolarHBondContact N-O 2.95Å; V166-Y182 PolarHBondContact O-N 2.91Å
167Y97.6Very high93Very high5 Ų530.8 Ų30.82%0.0216%0.157CC..EExtended strand (participates in β ladder)trans-105.4131.2171.3-56.7-74.9000108.8L22 K25 I27 C151 L152 T153 T165 V179 D180 C181L22-Y167 HydrophobicContact CD2-CD1 4.14Å; L22-Y167 HydrophobicContact CD2-CE1 3.56Å; K25-Y167 WeakPolarHBondContact CD-OH 3.23Å; K25-Y167 PolarHBondContact NZ-OH 3.1Å; I27-Y167 HydrophobicContact CD1-CD2 3.93Å; I27-Y167 HydrophobicContact CD1-CE2 3.78Å; I27-Y167 HydrophobicContact CG1-CD2 4.44Å; I27-Y167 HydrophobicContact CG1-CE2 4.12Å; I27-Y167 HydrophobicContact CG2-CD2 4.39Å; C151-Y167 PolarHBondContact O-N 3.04Å; L152-Y167 WeakPolarHBondContact CA-O 3.48Å; L152-Y167 WeakPolarHBondContact CD1-O 3.32Å; T153-Y167 PolarHBondContact N-O 3.4Å; T165-Y167 HydrophobicContact CG2-CD2 4.48Å; T165-Y167 HydrophobicContact CG2-CE1 4.21Å; T165-Y167 HydrophobicContact CG2-CE2 3.83Å; Y167-V179 HydrophobicContact CD1-CB 4.43Å; Y167-V179 HydrophobicContact CD1-CG2 3.72Å; Y167-V179 HydrophobicContact CG-CG2 4.32Å; Y167-D180 CarbonylContact C-O 3.54Å; Y167-D180 WeakPolarHBondContact CA-O 3.5Å; Y167-C181 HydrophobicContact CD1-CB 3.91Å; Y167-C181 HydrophobicContact CE1-CB 4.04Å
168R95.5Very high92.9Very high43 Ų4332.3 Ų32.316%0.16216%0.164CC..EExtended strand (participates in β ladder)trans-133.8164.9-172.9172.1165.8-177.6-85.6-16.1111.1W7 T153 F170 V179 D180 Y182W7-R168 VanDerWaalsContact CE2-CD 3.46Å; W7-R168 VanDerWaalsContact CH2-CD 3.48Å; T153-R168 VanDerWaalsContact O-CA 3.28Å; T153-R168 WeakPolarHBondContact O-CA 3.18Å; T153-R168 WeakPolarHBondContact O-CB 3.16Å; R168-F170 PolarHBondContact O-N 3.43Å; R168-V179 WeakPolarHBondContact O-CA 3.4Å; R168-D180 HydrophobicContact CB-CB 4.47Å; R168-D180 PolarHBondContact N-O 3.49Å; R168-D180 PolarHBondContact O-N 2.89Å; R168-Y182 HydrophobicContact CB-CD2 4.4Å; R168-Y182 HydrophobicContact CB-CE2 4.03Å; R168-Y182 HydrophobicContact CG-CE2 4.47Å
169N92.6Very high93Very high20 Ų2032.3 Ų32.311%0.10716%0.164CC..SBendtrans54.836.2176.3-59.3-27.7000113.4N154 T171 D180N154-N169 PolarHBondContact OD1-N 2.78Å; N169-T171 PolarHBondContact O-N 3.11Å; N169-D180 PolarHBondContact ND2-OD2 3.48Å
170F93.3Very high93Very high11 Ų1132.4 Ų32.45%0.04816%0.164CC..  trans-52.7127178.2168.4-89000111.6L19 W34 R59 L63 L152 R168 M172 V179L19-F170 HydrophobicContact CD1-CD2 4.19Å; L19-F170 HydrophobicContact CD1-CE2 3.58Å; L19-F170 HydrophobicContact CD1-CZ 4.22Å; L19-F170 HydrophobicContact CD2-CD2 3.74Å; L19-F170 HydrophobicContact CD2-CE2 3.77Å; L19-F170 HydrophobicContact CG-CE2 4.37Å; W34-F170 HydrophobicContact CZ2-CD1 4.49Å; W34-F170 HydrophobicContact CZ2-CE1 4.5Å; R59-F170 HydrophobicContact CG-CE1 3.82Å; R59-F170 HydrophobicContact CG-CZ 4.27Å; L63-F170 HydrophobicContact CD1-CE2 3.87Å; L63-F170 HydrophobicContact CD1-CZ 4.06Å; L63-F170 HydrophobicContact CD2-CE2 3.92Å; L63-F170 HydrophobicContact CG-CE2 4.03Å; L63-F170 HydrophobicContact CG-CZ 4.33Å; L152-F170 HydrophobicContact CD1-CB 3.73Å; L152-F170 HydrophobicContact CD2-CB 4.38Å; L152-F170 HydrophobicContact CD2-CD2 4.19Å; L152-F170 HydrophobicContact CD2-CG 4.32Å; R168-F170 PolarHBondContact O-N 3.43Å; F170-M172 HydrophobicContact CE1-CG 3.77Å; F170-M172 HydrophobicContact CE1-SD 3.94Å; F170-M172 HydrophobicContact CE2-CG 4.44Å; F170-M172 HydrophobicContact CZ-CG 3.5Å; F170-M172 HydrophobicContact CZ-SD 3.76Å; F170-V179 HydrophobicContact CB-CG1 3.78Å; F170-V179 HydrophobicContact CD2-CG1 3.93Å; F170-V179 HydrophobicContact CG-CG1 4.36Å
171T89.3Confident93.1Very high14 Ų1432.6 Ų32.69%0.08617%0.166CC..  trans-139.8138.4179.6-177.30000112L19 N169 N173 P177 H178L19-T171 WeakPolarHBondContact CD1-O 3.42Å; N169-T171 PolarHBondContact O-N 3.11Å; T171-N173 PolarHBondContact OG1-N 3.42Å; T171-P177 WeakPolarHBondContact O-CA 3.07Å; T171-H178 VanDerWaalsContact CG2-CE1 3.49Å; T171-H178 WeakPolarHBondContact CG2-CE1 3.45Å; T171-H178 VanDerWaalsContact CG2-ND1 3.32Å; T171-H178 WeakPolarHBondContact CG2-ND1 3.12Å; T171-H178 PolarHBondContact N-O 2.86Å; T171-H178 PolarHBondContact O-N 3.46Å
172M88.1Confident93.1Very high11 Ų1131.6 Ų31.65%0.05416%0.162CC..  trans-103.320.3174.3-68.9172.456.400111.9L19 R59 Y62 F170 T174 W589L19-M172 HydrophobicContact CD1-CG 4.49Å; R59-M172 HydrophobicContact CB-SD 4.25Å; R59-M172 HydrophobicContact CG-SD 3.64Å; Y62-M172 HydrophobicContact CD1-CE 4.29Å; Y62-M172 HydrophobicContact CD1-CG 4.23Å; Y62-M172 HydrophobicContact CD2-CE 3.87Å; Y62-M172 HydrophobicContact CE1-CG 4.5Å; Y62-M172 HydrophobicContact CG-CE 3.65Å; Y62-M172 HydrophobicContact CG-SD 4.43Å; F170-M172 HydrophobicContact CE1-CG 3.77Å; F170-M172 HydrophobicContact CE1-SD 3.94Å; F170-M172 HydrophobicContact CE2-CG 4.44Å; F170-M172 HydrophobicContact CZ-CG 3.5Å; F170-M172 HydrophobicContact CZ-SD 3.76Å; M172-T174 PolarHBondContact O-N 3.38Å; M172-W589 HydrophobicContact CB-CD2 4.13Å; M172-W589 HydrophobicContact CB-CE3 3.91Å; M172-W589 HydrophobicContact CB-CH2 4.43Å; M172-W589 HydrophobicContact CB-CZ3 4.08Å; M172-W589 HydrophobicContact CE-CH2 3.52Å; M172-W589 HydrophobicContact CE-CZ2 3.87Å; M172-W589 HydrophobicContact CE-CZ3 4.07Å; M172-W589 HydrophobicContact SD-CH2 4.01Å; M172-W589 HydrophobicContact SD-CZ3 3.97Å
173N85.6Confident93.2Very high26 Ų2632.3 Ų32.314%0.13917%0.165CC..  trans-55.7131.1177.1-171.7-45.2000110.3T171 K175 D176 P177 E590T171-N173 PolarHBondContact OG1-N 3.42Å; N173-K175 PolarHBondContact O-N 3.09Å; N173-K175 VanDerWaalsContact O-N 3.15Å; N173-K175 WeakPolarHBondContact OD1-CB 3.39Å; N173-K175 PolarHBondContact OD1-N 2.98Å; N173-D176 CarbonylContact O-C 3.57Å; N173-D176 PolarHBondContact O-N 3.26Å; N173-P177 VanDerWaalsContact O-CD 3.31Å; N173-P177 WeakPolarHBondContact O-CD 3.42Å; N173-E590 VanDerWaalsContact ND2-CG 3.34Å; N173-E590 WeakPolarHBondContact ND2-CG 3.35Å
174T80.8Confident93.2Very high116 Ų11633.1 Ų33.171%0.71217%0.169SC*.SBendtrans-61.8-22.6-176.652.10000114M172M172-T174 PolarHBondContact O-N 3.38Å
175K84.8Confident93.1Very high159 Ų15932.6 Ų32.669%0.69118%0.176SC*.SBendtrans-83.2-38.9179.2-58.5164.3-171.6160.60112.6N173 E590N173-K175 PolarHBondContact O-N 3.09Å; N173-K175 VanDerWaalsContact O-N 3.15Å; N173-K175 WeakPolarHBondContact OD1-CB 3.39Å; N173-K175 PolarHBondContact OD1-N 2.98Å; K175-E590 IonicContact NZ-OE1 2.67Å; K175-E590 PolarHBondContact NZ-OE1 3.38Å
176D87.6Confident93Very high66 Ų6632.2 Ų32.235%0.35317%0.174SC..  trans-151.779-175.4-17729.8000111.9H16 N173 H178H16-D176 IonicContact CE1-OD1 2.74Å; H16-D176 PolarHBondContact CE1-OD1 3.01Å; H16-D176 IonicContact CE1-OD2 2.78Å; H16-D176 IonicContact NE2-OD1 2.72Å; H16-D176 PolarHBondContact NE2-OD1 2.6Å; H16-D176 IonicContact NE2-OD2 3.74Å; H16-D176 PolarHBondContact NE2-OD2 3.31Å; N173-D176 CarbonylContact O-C 3.57Å; N173-D176 PolarHBondContact O-N 3.26Å; D176-H178 PolarHBondContact O-N 3.45Å; D176-H178 PolarHBondContact O-ND1 2.92Å; D176-H178 IonicContact OD1-ND1 2.72Å; D176-H178 IonicContact OD2-CE1 3.97Å; D176-H178 PolarHBondContact OD2-CE1 3.18Å; D176-H178 VanDerWaalsContact OD2-CE1 3.27Å; D176-H178 IonicContact OD2-CG 2.7Å; D176-H178 IonicContact OD2-ND1 3.42Å; D176-H178 PolarHBondContact OD2-ND1 3.01Å
177P91.6Very high92.8Very high24 Ų2432.2 Ų32.216%0.15617%0.174CC..  trans-79.5104.1178.430.2-31.9000110.5P18 L19 T171 N173P18-P177 WeakPolarHBondContact CA-O 3.26Å; L19-P177 HydrophobicContact CD1-CB 4.13Å; L19-P177 HydrophobicContact CG-CB 4.49Å; L19-P177 PolarHBondContact N-O 3.23Å; T171-P177 WeakPolarHBondContact O-CA 3.07Å; N173-P177 VanDerWaalsContact O-CD 3.31Å; N173-P177 WeakPolarHBondContact O-CD 3.42Å
178H94Very high92.6Very high33 Ų3337.4 Ų37.415%0.15320%0.196CC..EExtended strand (participates in β ladder)trans-142.2173.4-171.371.4-91.5000114.7H16 I17 T171 D176H16-H178 AromaticContact CD2-CD2 3.41Å; H16-H178 PolarHBondContact CD2-CD2 2.9Å; H16-H178 VanDerWaalsContact CD2-CD2 3.41Å; H16-H178 AromaticContact CD2-CG 3.61Å; H16-H178 AromaticContact CD2-NE2 3.79Å; H16-H178 AromaticContact CE1-CG 3.92Å; H16-H178 WeakPolarHBondContact NE2-CB 3.34Å; H16-H178 AromaticContact NE2-CD2 3.51Å; H16-H178 AromaticContact NE2-CE1 3.75Å; H16-H178 AromaticContact NE2-CG 3.19Å; H16-H178 AromaticContact NE2-ND1 3.38Å; H16-H178 PolarHBondContact NE2-ND1 3.35Å; H16-H178 AromaticContact NE2-NE2 3.87Å; I17-H178 CarbonylContact O-C 3.53Å; I17-H178 WeakPolarHBondContact O-CA 3.5Å; T171-H178 VanDerWaalsContact CG2-CE1 3.49Å; T171-H178 WeakPolarHBondContact CG2-CE1 3.45Å; T171-H178 VanDerWaalsContact CG2-ND1 3.32Å; T171-H178 WeakPolarHBondContact CG2-ND1 3.12Å; T171-H178 PolarHBondContact N-O 2.86Å; T171-H178 PolarHBondContact O-N 3.46Å; D176-H178 PolarHBondContact O-N 3.45Å; D176-H178 PolarHBondContact O-ND1 2.92Å; D176-H178 IonicContact OD1-ND1 2.72Å; D176-H178 IonicContact OD2-CE1 3.97Å; D176-H178 PolarHBondContact OD2-CE1 3.18Å; D176-H178 VanDerWaalsContact OD2-CE1 3.27Å; D176-H178 IonicContact OD2-CG 2.7Å; D176-H178 IonicContact OD2-ND1 3.42Å; D176-H178 PolarHBondContact OD2-ND1 3.01Å
179V96.4Very high92.5Very high1 Ų140 Ų401%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-131.8149.6159.9-79.20000109.9I17 L19 L22 L152 Y167 R168 F170I17-V179 HydrophobicContact CB-CG2 4.26Å; I17-V179 PolarHBondContact N-O 3.48Å; I17-V179 PolarHBondContact O-N 2.95Å; L19-V179 HydrophobicContact CD2-CG1 3.87Å; L19-V179 HydrophobicContact CD2-CG2 4.3Å; L22-V179 HydrophobicContact CD1-CG2 3.93Å; L22-V179 HydrophobicContact CD2-CG2 4.25Å; L22-V179 HydrophobicContact CG-CG2 4.5Å; L152-V179 HydrophobicContact CD1-CG1 4.42Å; Y167-V179 HydrophobicContact CD1-CB 4.43Å; Y167-V179 HydrophobicContact CD1-CG2 3.72Å; Y167-V179 HydrophobicContact CG-CG2 4.32Å; R168-V179 WeakPolarHBondContact O-CA 3.4Å; F170-V179 HydrophobicContact CB-CG1 3.78Å; F170-V179 HydrophobicContact CD2-CG1 3.93Å; F170-V179 HydrophobicContact CG-CG1 4.36Å
180D96.9Very high92.4Very high3 Ų345.6 Ų45.62%0.01624%0.244CC..EExtended strand (participates in β ladder)trans-84.3112.4165.2-73.3-27000109.1K14 Y167 R168 N169 Y182K14-D180 HydrophobicContact CD-CB 3.98Å; K14-D180 VanDerWaalsContact CD-CG 3.48Å; K14-D180 WeakPolarHBondContact CE-OD1 3.42Å; K14-D180 WeakPolarHBondContact CE-OD2 3.47Å; K14-D180 HydrophobicContact CG-CB 4.09Å; K14-D180 VanDerWaalsContact NZ-CG 3.28Å; K14-D180 IonicContact NZ-OD1 3.99Å; K14-D180 PolarHBondContact NZ-OD1 2.95Å; K14-D180 IonicContact NZ-OD2 3.52Å; K14-D180 PolarHBondContact NZ-OD2 3.32Å; Y167-D180 CarbonylContact C-O 3.54Å; Y167-D180 WeakPolarHBondContact CA-O 3.5Å; R168-D180 HydrophobicContact CB-CB 4.47Å; R168-D180 PolarHBondContact N-O 3.49Å; R168-D180 PolarHBondContact O-N 2.89Å; N169-D180 PolarHBondContact ND2-OD2 3.48Å; D180-Y182 HydrophobicContact CB-CE2 3.72Å
181C97.6Very high92.2Very high4 Ų447.6 Ų47.63%0.02726%0.255CS..EExtended strand (participates in β ladder)trans-94.9133.2178.9-176.60000111.2Q15 I17 V166 Y167Q15-C181 HydrophobicContact CB-CB 4.32Å; Q15-C181 PolarHBondContact N-O 3.43Å; Q15-C181 WeakPolarHBondContact O-CB 3.45Å; Q15-C181 PolarHBondContact O-N 2.97Å; I17-C181 HydrophobicContact CD1-CB 3.39Å; I17-C181 HydrophobicContact CG1-CB 3.81Å; V166-C181 WeakPolarHBondContact O-CA 3.42Å; Y167-C181 HydrophobicContact CD1-CB 3.91Å; Y167-C181 HydrophobicContact CE1-CB 4.04Å
182Y97.8Very high92.1Very high0 Ų049.4 Ų49.40%028%0.276CS..EExtended strand (participates in β ladder)trans-127.4127.9175.5-58.9-100.5000107.9W7 L10 E11 V13 K14 V166 R168 D180W7-Y182 HydrophobicContact CE3-CE1 4.11Å; W7-Y182 HydrophobicContact CE3-CE2 4.09Å; W7-Y182 AromaticContact CE3-CZ 3.85Å; W7-Y182 HydrophobicContact CH2-CD2 4.47Å; W7-Y182 HydrophobicContact CZ3-CD1 4.16Å; W7-Y182 AromaticContact CZ3-CD2 3.73Å; W7-Y182 HydrophobicContact CZ3-CD2 3.73Å; W7-Y182 HydrophobicContact CZ3-CE1 4.1Å; W7-Y182 AromaticContact CZ3-CE2 3.66Å; W7-Y182 HydrophobicContact CZ3-CE2 3.66Å; W7-Y182 AromaticContact CZ3-CG 3.98Å; W7-Y182 HydrophobicContact CZ3-CG 3.98Å; W7-Y182 AromaticContact CZ3-CZ 3.85Å; L10-Y182 HydrophobicContact CB-CD1 3.95Å; L10-Y182 HydrophobicContact CB-CE1 3.97Å; L10-Y182 WeakPolarHBondContact O-CE1 3.47Å; E11-Y182 PolarHBondContact OE2-OH 3.27Å; V13-Y182 HydrophobicContact CG2-CD1 4.34Å; K14-Y182 HydrophobicContact CB-CD1 4.29Å; K14-Y182 HydrophobicContact CB-CE1 3.68Å; K14-Y182 HydrophobicContact CG-CE1 4.4Å; V166-Y182 PolarHBondContact N-O 2.95Å; V166-Y182 PolarHBondContact O-N 2.91Å; R168-Y182 HydrophobicContact CB-CD2 4.4Å; R168-Y182 HydrophobicContact CB-CE2 4.03Å; R168-Y182 HydrophobicContact CG-CE2 4.47Å; D180-Y182 HydrophobicContact CB-CE2 3.72Å
183T97.3Very high92.2Very high22 Ų2248.9 Ų48.914%0.13527%0.274CS..EExtended strand (participates in β ladder)trans-122.6135.5-177.643.80000111.5Q164 T165 S185 T186 I187Q164-T183 CarbonylContact O-C 3.42Å; Q164-T183 WeakPolarHBondContact O-CA 3.19Å; T165-T183 HydrophobicContact CG2-CG2 4.1Å; T183-S185 VanDerWaalsContact C-N 3.26Å; T183-S185 PolarHBondContact O-N 3.26Å; T183-T186 WeakPolarHBondContact O-CA 3.43Å; T183-T186 WeakPolarHBondContact O-CB 3.49Å; T183-T186 PolarHBondContact O-N 2.91Å; T183-T186 WeakPolarHBondContact OG1-CB 3.43Å; T183-T186 PolarHBondContact OG1-OG1 2.98Å; T183-I187 WeakPolarHBondContact O-CG1 3.42Å; T183-I187 PolarHBondContact O-N 3.37Å
184M96.4Very high92.5Very high16 Ų1649.4 Ų49.48%0.07928%0.277CS..Hα-helixtrans-64.4-30.2-173.3-165.461.8-163.100112.8F159 Q164 I187 K188 L193 D194 L198F159-M184 HydrophobicContact CD1-SD 4.01Å; F159-M184 HydrophobicContact CE1-SD 4.48Å; Q164-M184 PolarHBondContact O-N 2.82Å; M184-I187 HydrophobicContact CE-CG2 4.26Å; M184-I187 PolarHBondContact O-N 3.32Å; M184-I187 HydrophobicContact SD-CB 4.2Å; M184-I187 HydrophobicContact SD-CD1 4.09Å; M184-I187 HydrophobicContact SD-CG2 4.11Å; M184-K188 WeakPolarHBondContact O-CB 3.47Å; M184-K188 PolarHBondContact O-N 2.71Å; M184-L193 WeakPolarHBondContact CE-O 3.27Å; M184-D194 VanDerWaalsContact CE-C 3.41Å; M184-L198 HydrophobicContact CE-CD1 3.83Å; M184-L198 HydrophobicContact SD-CD1 3.97Å
185S95.9Very high93.1Very high86 Ų8647.9 Ų47.960%0.60126%0.258SS*.Hα-helixtrans-62.9-40.8169.752.90000112.7T183 S189T183-S185 VanDerWaalsContact C-N 3.26Å; T183-S185 PolarHBondContact O-N 3.26Å; S185-S189 VanDerWaalsContact O-CB 3.31Å; S185-S189 WeakPolarHBondContact O-CB 3.42Å; S185-S189 PolarHBondContact O-N 3.35Å; S185-S189 PolarHBondContact O-OG 2.94Å
186T95.7Very high93.4Very high17 Ų1742.8 Ų42.810%0.10424%0.238CC..Hα-helixtrans-71.6-39.3175.2-51.10000111.2V13 Q15 T183 S189 K190V13-T186 HydrophobicContact CB-CG2 3.86Å; V13-T186 HydrophobicContact CG1-CG2 4.26Å; Q15-T186 PolarHBondContact NE2-OG1 3.03Å; T183-T186 WeakPolarHBondContact O-CA 3.43Å; T183-T186 WeakPolarHBondContact O-CB 3.49Å; T183-T186 PolarHBondContact O-N 2.91Å; T183-T186 WeakPolarHBondContact OG1-CB 3.43Å; T183-T186 PolarHBondContact OG1-OG1 2.98Å; T186-S189 WeakPolarHBondContact CA-OG 3.28Å; T186-S189 PolarHBondContact O-OG 3.08Å; T186-K190 HydrophobicContact CG2-CD 3.69Å; T186-K190 HydrophobicContact CG2-CG 4.1Å; T186-K190 WeakPolarHBondContact O-CB 3.28Å; T186-K190 PolarHBondContact O-N 3.24Å
187I94.6Very high93.5Very high0 Ų040 Ų400%022%0.224CC..Hα-helixtrans-58.3-51.9174.2-68.1169.9000110.2L10 V13 F159 T183 M184 L191 G192 L193L10-I187 HydrophobicContact CD1-CD1 4.12Å; L10-I187 HydrophobicContact CD2-CD1 4.12Å; L10-I187 HydrophobicContact CD2-CG1 4.09Å; L10-I187 HydrophobicContact CD2-CG2 4.2Å; V13-I187 HydrophobicContact CG2-CG1 3.76Å; F159-I187 HydrophobicContact CD1-CD1 4.06Å; F159-I187 HydrophobicContact CE1-CD1 3.6Å; F159-I187 HydrophobicContact CE2-CD1 4.17Å; F159-I187 HydrophobicContact CZ-CD1 3.66Å; T183-I187 WeakPolarHBondContact O-CG1 3.42Å; T183-I187 PolarHBondContact O-N 3.37Å; M184-I187 HydrophobicContact CE-CG2 4.26Å; M184-I187 PolarHBondContact O-N 3.32Å; M184-I187 HydrophobicContact SD-CB 4.2Å; M184-I187 HydrophobicContact SD-CD1 4.09Å; M184-I187 HydrophobicContact SD-CG2 4.11Å; I187-L191 WeakPolarHBondContact O-CA 3.39Å; I187-L191 WeakPolarHBondContact O-CB 3.39Å; I187-L191 PolarHBondContact O-N 2.78Å; I187-G192 PolarHBondContact O-N 2.83Å; I187-L193 HydrophobicContact CG2-CB 3.74Å; I187-L193 HydrophobicContact CG2-CD1 4.38Å
188K92.6Very high93.6Very high113 Ų11338.9 Ų38.949%0.49122%0.217SC..Hα-helixtrans-66.9-39.4-179.7-172.8156.9179.8136.60113.2M184 G192 L193 D194M184-K188 WeakPolarHBondContact O-CB 3.47Å; M184-K188 PolarHBondContact O-N 2.71Å; K188-G192 VanDerWaalsContact O-CA 3.29Å; K188-G192 WeakPolarHBondContact O-CA 3.25Å; K188-G192 PolarHBondContact O-N 2.58Å; K188-L193 VanDerWaalsContact CA-O 3.25Å; K188-L193 WeakPolarHBondContact CA-O 3.45Å; K188-L193 WeakPolarHBondContact CB-O 3.47Å; K188-L193 PolarHBondContact N-O 2.86Å; K188-D194 HydrophobicContact CD-CB 4.2Å; K188-D194 IonicContact NZ-OD2 3.72Å; K188-D194 PolarHBondContact NZ-OD2 3.36Å
189S92.6Very high93.6Very high97 Ų9737.3 Ų37.368%0.67821%0.21SC*.Hα-helixtrans-77.9-34.8-178.355.90000114.8S185 T186S185-S189 VanDerWaalsContact O-CB 3.31Å; S185-S189 WeakPolarHBondContact O-CB 3.42Å; S185-S189 PolarHBondContact O-N 3.35Å; S185-S189 PolarHBondContact O-OG 2.94Å; T186-S189 WeakPolarHBondContact CA-OG 3.28Å; T186-S189 PolarHBondContact O-OG 3.08Å
190K91.2Very high93.3Very high138 Ų13837.2 Ų37.260%0.621%0.209SC*.Hα-helixtrans-94.5-31-179.1-66.1-172-179.8176.70114.5V13 T186V13-K190 HydrophobicContact CG1-CB 3.74Å; V13-K190 HydrophobicContact CG1-CD 3.96Å; V13-K190 HydrophobicContact CG1-CG 4.42Å; T186-K190 HydrophobicContact CG2-CD 3.69Å; T186-K190 HydrophobicContact CG2-CG 4.1Å; T186-K190 WeakPolarHBondContact O-CB 3.28Å; T186-K190 PolarHBondContact O-N 3.24Å
191L89.1Confident93.1Very high54 Ų5437.1 Ų37.128%0.28321%0.209SC..Hα-helixtrans-111.9-10.1-176.2-55.2176.6000113.5I9 L10 V13 I187 L193I9-L191 WeakPolarHBondContact O-CD1 3.11Å; L10-L191 HydrophobicContact CD2-CD1 3.88Å; V13-L191 HydrophobicContact CG1-CD1 3.78Å; V13-L191 HydrophobicContact CG1-CD2 4.15Å; V13-L191 HydrophobicContact CG1-CG 3.66Å; V13-L191 HydrophobicContact CG2-CD1 4.27Å; I187-L191 WeakPolarHBondContact O-CA 3.39Å; I187-L191 WeakPolarHBondContact O-CB 3.39Å; I187-L191 PolarHBondContact O-N 2.78Å; L191-L193 VanDerWaalsContact C-N 3.27Å; L191-L193 HydrophobicContact CB-CD1 3.86Å; L191-L193 HydrophobicContact CB-CG 3.82Å; L191-L193 HydrophobicContact CD1-CD1 3.99Å; L191-L193 PolarHBondContact O-N 2.92Å
192G87.8Confident92.9Very high51 Ų5137 Ų3753%0.52621%0.208SC..  trans71.917.2-176.400000114.4I187 K188I187-G192 PolarHBondContact O-N 2.83Å; K188-G192 VanDerWaalsContact O-CA 3.29Å; K188-G192 WeakPolarHBondContact O-CA 3.25Å; K188-G192 PolarHBondContact O-N 2.58Å
193L89.8Confident92.6Very high1 Ų137 Ų371%0.00521%0.208CC..  trans-97.8123.8-175.1-55174.8000111.5I9 L10 M184 I187 K188 L191 A197 L198 I226I9-L193 HydrophobicContact CG2-CD1 4.16Å; L10-L193 HydrophobicContact CD2-CD1 4.37Å; M184-L193 WeakPolarHBondContact CE-O 3.27Å; I187-L193 HydrophobicContact CG2-CB 3.74Å; I187-L193 HydrophobicContact CG2-CD1 4.38Å; K188-L193 VanDerWaalsContact CA-O 3.25Å; K188-L193 WeakPolarHBondContact CA-O 3.45Å; K188-L193 WeakPolarHBondContact CB-O 3.47Å; K188-L193 PolarHBondContact N-O 2.86Å; L191-L193 VanDerWaalsContact C-N 3.27Å; L191-L193 HydrophobicContact CB-CD1 3.86Å; L191-L193 HydrophobicContact CB-CG 3.82Å; L191-L193 HydrophobicContact CD1-CD1 3.99Å; L191-L193 PolarHBondContact O-N 2.92Å; L193-A197 HydrophobicContact CD2-CB 4.29Å; L193-L198 HydrophobicContact CB-CD2 4.12Å; L193-L198 HydrophobicContact CB-CG 4.44Å; L193-L198 HydrophobicContact CD1-CD2 3.88Å; L193-I226 HydrophobicContact CD2-CD1 3.78Å; L193-I226 HydrophobicContact CD2-CG1 4.38Å; L193-I226 HydrophobicContact CD2-CG2 3.72Å
194D91.4Very high92.3Very high37 Ų3736 Ų3620%0.19820%0.202CC..  trans-101175.7162.830.241.9000112.2M184 K188 D196 A197 L198M184-D194 VanDerWaalsContact CE-C 3.41Å; K188-D194 HydrophobicContact CD-CB 4.2Å; K188-D194 IonicContact NZ-OD2 3.72Å; K188-D194 PolarHBondContact NZ-OD2 3.36Å; D194-D196 VanDerWaalsContact C-N 3.28Å; D194-D196 PolarHBondContact O-N 2.77Å; D194-A197 CarbonylContact O-C 3.44Å; D194-A197 WeakPolarHBondContact O-CA 3.39Å; D194-A197 WeakPolarHBondContact O-CB 3.17Å; D194-A197 PolarHBondContact O-N 2.91Å; D194-A197 VanDerWaalsContact O-N 3.11Å; D194-A197 VanDerWaalsContact OD1-CB 3.24Å; D194-A197 WeakPolarHBondContact OD1-CB 3.29Å; D194-A197 PolarHBondContact OD1-N 3.13Å; D194-L198 WeakPolarHBondContact O-CG 3.33Å; D194-L198 PolarHBondContact O-N 3.42Å
195R93.5Very high92Very high83 Ų8335.9 Ų35.931%0.31320%0.201SC..Hα-helixtrans-57.6-41.4-176.4-179.4-177.2175.2-177.9-1.3111.7L160 Y161 L198 V199 F335L160-R195 PolarHBondContact O-NE 2.91Å; L160-R195 PolarHBondContact O-NH2 2.76Å; Y161-R195 VanDerWaalsContact C-NH2 3.34Å; Y161-R195 VanDerWaalsContact O-CZ 3.27Å; Y161-R195 PolarHBondContact O-NH2 2.74Å; R195-L198 PolarHBondContact O-N 3.19Å; R195-V199 WeakPolarHBondContact O-CG2 3.21Å; R195-V199 PolarHBondContact O-N 2.85Å; R195-F335 PolarHBondContact NH2-O 2.89Å
196D90.9Very high91.8Very high53 Ų5331.8 Ų31.828%0.28317%0.173SC..Hα-helixtrans-73.7-29.4177.345-38000113.1D194 G200 S233 L235D194-D196 VanDerWaalsContact C-N 3.28Å; D194-D196 PolarHBondContact O-N 2.77Å; D196-G200 PolarHBondContact O-N 2.74Å; D196-S233 WeakPolarHBondContact OD2-CB 3.19Å; D196-S233 PolarHBondContact OD2-OG 3.36Å; D196-L235 HydrophobicContact CB-CD1 3.9Å; D196-L235 HydrophobicContact CB-CG 4.31Å
197A90.9Very high91.6Very high6 Ų631.2 Ų31.25%0.0517%0.169CC..Hα-helixtrans-66.1-39.4162.800000112.5L193 D194 G200 L201 L234L193-A197 HydrophobicContact CD2-CB 4.29Å; D194-A197 CarbonylContact O-C 3.44Å; D194-A197 WeakPolarHBondContact O-CA 3.39Å; D194-A197 WeakPolarHBondContact O-CB 3.17Å; D194-A197 PolarHBondContact O-N 2.91Å; D194-A197 VanDerWaalsContact O-N 3.11Å; D194-A197 VanDerWaalsContact OD1-CB 3.24Å; D194-A197 WeakPolarHBondContact OD1-CB 3.29Å; D194-A197 PolarHBondContact OD1-N 3.13Å; A197-G200 PolarHBondContact O-N 3.38Å; A197-L201 WeakPolarHBondContact O-CB 3.24Å; A197-L201 PolarHBondContact O-N 2.91Å; A197-L234 HydrophobicContact CB-CD1 4.46Å; A197-L234 WeakPolarHBondContact O-CD1 3.49Å
198L93.1Very high91.3Very high1 Ų132 Ų321%0.00517%0.174CC..Hα-helixtrans-68.2-41.1177.5-67-179.6000112.7L6 F159 L160 M184 L193 D194 R195 L201 A202L6-L198 HydrophobicContact CD1-CD2 3.94Å; F159-L198 HydrophobicContact CB-CD1 3.9Å; F159-L198 HydrophobicContact CG-CD1 4.49Å; L160-L198 HydrophobicContact CD1-CB 4.08Å; M184-L198 HydrophobicContact CE-CD1 3.83Å; M184-L198 HydrophobicContact SD-CD1 3.97Å; L193-L198 HydrophobicContact CB-CD2 4.12Å; L193-L198 HydrophobicContact CB-CG 4.44Å; L193-L198 HydrophobicContact CD1-CD2 3.88Å; D194-L198 WeakPolarHBondContact O-CG 3.33Å; D194-L198 PolarHBondContact O-N 3.42Å; R195-L198 PolarHBondContact O-N 3.19Å; L198-L201 HydrophobicContact CD2-CD2 4.28Å; L198-L201 WeakPolarHBondContact O-CB 3.48Å; L198-L201 PolarHBondContact O-N 2.9Å; L198-A202 WeakPolarHBondContact O-CB 3.17Å; L198-A202 PolarHBondContact O-N 3.06Å
199V93.5Very high91Very high0 Ų027.2 Ų27.20%015%0.152CC..Hα-helixtrans-64.6-41.9172.1174.30000110.6L160 R195 L201 A202 I203 L235 F335L160-V199 HydrophobicContact CB-CG2 3.87Å; L160-V199 HydrophobicContact CG-CG2 3.95Å; R195-V199 WeakPolarHBondContact O-CG2 3.21Å; R195-V199 PolarHBondContact O-N 2.85Å; V199-L201 PolarHBondContact O-N 2.83Å; V199-A202 WeakPolarHBondContact O-CB 3.48Å; V199-A202 PolarHBondContact O-N 3.05Å; V199-I203 HydrophobicContact CG1-CD1 4.27Å; V199-I203 WeakPolarHBondContact O-CG1 3.33Å; V199-I203 PolarHBondContact O-N 3.27Å; V199-I203 VanDerWaalsContact O-N 3.09Å; V199-L235 HydrophobicContact CG1-CD1 4.31Å; V199-L235 HydrophobicContact CG1-CD2 4.25Å; V199-F335 HydrophobicContact CG1-CD2 4.31Å; V199-F335 HydrophobicContact CG2-CB 4Å; V199-F335 HydrophobicContact CG2-CG 4.44Å
200G91.4Very high90.7Very high0 Ų023.8 Ų23.80%013%0.127CC..Hα-helixtrans-62.7-39.7174.500000113.4D196 A197 A202 I203 L204D196-G200 PolarHBondContact O-N 2.74Å; A197-G200 PolarHBondContact O-N 3.38Å; G200-A202 VanDerWaalsContact C-N 3.34Å; G200-I203 PolarHBondContact O-N 3.23Å; G200-L204 WeakPolarHBondContact O-CG 3.37Å; G200-L204 PolarHBondContact O-N 2.97Å
201L92Very high90.2Very high0 Ų020.6 Ų20.60%012%0.12CC..Hα-helixtrans-62.9-39.9174.4-179.363.6000111.4L6 I9 A197 L198 V199 L204 L205 A222 I226L6-L201 HydrophobicContact CD1-CD2 4.12Å; I9-L201 HydrophobicContact CD1-CD1 4.16Å; I9-L201 HydrophobicContact CD1-CD2 3.94Å; I9-L201 HydrophobicContact CD1-CG 4.5Å; A197-L201 WeakPolarHBondContact O-CB 3.24Å; A197-L201 PolarHBondContact O-N 2.91Å; L198-L201 HydrophobicContact CD2-CD2 4.28Å; L198-L201 WeakPolarHBondContact O-CB 3.48Å; L198-L201 PolarHBondContact O-N 2.9Å; V199-L201 PolarHBondContact O-N 2.83Å; L201-L204 PolarHBondContact O-N 2.92Å; L201-L205 HydrophobicContact CD1-CD1 3.54Å; L201-L205 HydrophobicContact CD1-CG 3.92Å; L201-L205 HydrophobicContact CG-CD1 3.9Å; L201-L205 HydrophobicContact CG-CG 4.41Å; L201-L205 WeakPolarHBondContact O-CG 3.42Å; L201-L205 PolarHBondContact O-N 2.99Å; L201-A222 HydrophobicContact CD1-CB 3.49Å; L201-A222 VanDerWaalsContact CD1-CB 3.49Å; L201-I226 HydrophobicContact CD1-CD1 4.16Å
202A92.8Very high89.7Confident1 Ų126.8 Ų26.81%0.00814%0.144CC..Hα-helixtrans-67.2-33.1177.100000113.9V3 L160 L198 V199 G200 G206 C207V3-A202 HydrophobicContact CB-CB 4.35Å; V3-A202 HydrophobicContact CG1-CB 3.88Å; V3-A202 HydrophobicContact CG2-CB 3.54Å; L160-A202 HydrophobicContact CD2-CB 3.55Å; L198-A202 WeakPolarHBondContact O-CB 3.17Å; L198-A202 PolarHBondContact O-N 3.06Å; V199-A202 WeakPolarHBondContact O-CB 3.48Å; V199-A202 PolarHBondContact O-N 3.05Å; G200-A202 VanDerWaalsContact C-N 3.34Å; A202-G206 CarbonylContact O-C 3.51Å; A202-G206 VanDerWaalsContact O-C 3.29Å; A202-G206 WeakPolarHBondContact O-CA 3.26Å; A202-G206 PolarHBondContact O-N 2.83Å; A202-C207 HydrophobicContact CB-CB 4.22Å
203I91.6Very high89.7Confident1 Ų124.6 Ų24.61%0.00512%0.122CC..Hα-helixtrans-67.1-39.2171.8-69.9160.7000111.1V199 G200 L210 G213 V214 L235 F238 F326 F328 I332V199-I203 HydrophobicContact CG1-CD1 4.27Å; V199-I203 WeakPolarHBondContact O-CG1 3.33Å; V199-I203 PolarHBondContact O-N 3.27Å; V199-I203 VanDerWaalsContact O-N 3.09Å; G200-I203 PolarHBondContact O-N 3.23Å; I203-L210 HydrophobicContact CG2-CD2 4.38Å; I203-G213 WeakPolarHBondContact O-CA 3.42Å; I203-V214 PolarHBondContact O-N 3.49Å; I203-L235 HydrophobicContact CD1-CD2 3.96Å; I203-F238 HydrophobicContact CB-CE2 4.31Å; I203-F238 HydrophobicContact CD1-CE2 4.48Å; I203-F238 HydrophobicContact CG2-CE2 4.21Å; I203-F326 HydrophobicContact CG2-CE2 4.15Å; I203-F328 HydrophobicContact CG2-CD2 3.73Å; I203-F328 HydrophobicContact CG2-CE2 4.15Å; I203-I332 HydrophobicContact CD1-CD1 3.94Å; I203-I332 HydrophobicContact CD1-CG1 3.48Å; I203-I332 VanDerWaalsContact CD1-CG1 3.48Å
204L90.9Very high89.5Confident1 Ų124.7 Ų24.71%0.00512%0.123CC..Hα-helixtrans-72.7-47.4179.9-69.6174000113.1G200 L201 V214 V217 A222 L225 L234 F238 M316G200-L204 WeakPolarHBondContact O-CG 3.37Å; G200-L204 PolarHBondContact O-N 2.97Å; L201-L204 PolarHBondContact O-N 2.92Å; L204-V214 HydrophobicContact CD2-CB 4.37Å; L204-V214 HydrophobicContact CD2-CG2 4.03Å; L204-V214 PolarHBondContact O-N 2.95Å; L204-V217 HydrophobicContact CB-CG1 4.09Å; L204-V217 HydrophobicContact CD2-CG1 4.48Å; L204-A222 HydrophobicContact CD1-CB 4.14Å; L204-L225 HydrophobicContact CD1-CD2 4.01Å; L204-L234 HydrophobicContact CD1-CD2 4.32Å; L204-F238 HydrophobicContact CD1-CE1 4.39Å; L204-F238 HydrophobicContact CD1-CZ 3.85Å; L204-F238 HydrophobicContact CD2-CE1 4.34Å; L204-F238 HydrophobicContact CD2-CZ 3.97Å; L204-F238 HydrophobicContact CG-CE1 4.49Å; L204-F238 HydrophobicContact CG-CZ 3.74Å; L204-M316 HydrophobicContact CD1-CE 3.89Å; L204-M316 HydrophobicContact CD2-CE 4.13Å
205L91.9Very high89.2Confident14 Ų1426.7 Ų26.77%0.07314%0.138CC..Hα-helixtrans-86.8-21.7-176.1-57.9-176.9000113.3N4 D5 I9 L201 A222N4-L205 HydrophobicContact CB-CB 4.24Å; N4-L205 WeakPolarHBondContact CB-O 3.36Å; N4-L205 PolarHBondContact ND2-O 2.75Å; N4-L205 VanDerWaalsContact O-CD1 3.32Å; N4-L205 WeakPolarHBondContact O-CD1 3.48Å; D5-L205 HydrophobicContact CB-CD1 4.28Å; I9-L205 HydrophobicContact CD1-CD1 3.84Å; L201-L205 HydrophobicContact CD1-CD1 3.54Å; L201-L205 HydrophobicContact CD1-CG 3.92Å; L201-L205 HydrophobicContact CG-CD1 3.9Å; L201-L205 HydrophobicContact CG-CG 4.41Å; L201-L205 WeakPolarHBondContact O-CG 3.42Å; L201-L205 PolarHBondContact O-N 2.99Å; L205-A222 HydrophobicContact CD2-CB 4.06Å; L205-A222 HydrophobicContact CG-CB 4.46Å
206G91Very high88.7Confident0 Ų025.4 Ų25.40%015%0.15CC..  trans90.4152.4-172.300000113.2V3 N4 A202 L210V3-G206 WeakPolarHBondContact CA-O 3.44Å; N4-G206 PolarHBondContact N-O 3.18Å; N4-G206 PolarHBondContact ND2-O 2.81Å; A202-G206 CarbonylContact O-C 3.51Å; A202-G206 VanDerWaalsContact O-C 3.29Å; A202-G206 WeakPolarHBondContact O-CA 3.26Å; A202-G206 PolarHBondContact O-N 2.83Å; G206-L210 CarbonylContact C-O 3.18Å; G206-L210 WeakPolarHBondContact CA-O 3.41Å
207C90.7Very high88.4Confident5 Ų523.8 Ų23.83%0.03414%0.142CC..  trans-147.6-176.4-176.462.20000110.6V3 A202 Y209 L210 F335V3-C207 HydrophobicContact CG2-CB 4.16Å; A202-C207 HydrophobicContact CB-CB 4.22Å; C207-Y209 PolarHBondContact O-N 2.96Å; C207-Y209 VanDerWaalsContact O-N 3.09Å; C207-L210 PolarHBondContact N-O 3.19Å; C207-L210 CarbonylContact O-C 3.38Å; C207-L210 PolarHBondContact O-N 3.31Å; C207-F335 HydrophobicContact CB-CZ 4.49Å
208D87.8Confident88.2Confident16 Ų1624.8 Ų24.89%0.08615%0.153CC..SBendtrans-62.7-16.5-177-106.461.8000113.3G2 K82 V85G2-D208 PolarHBondContact N-OD1 2.91Å; G2-D208 VanDerWaalsContact N-OD1 3.1Å; K82-D208 WeakPolarHBondContact CE-OD2 3.5Å; K82-D208 IonicContact NZ-OD2 2.74Å; K82-D208 PolarHBondContact NZ-OD2 2.91Å; V85-D208 WeakPolarHBondContact CG2-O 3.32Å
209Y87.1Confident87.9Confident12 Ų1228.3 Ų28.35%0.04717%0.169CC..SBendtrans-98.5-27.2171-45-32.5000114P79 K82 E134 Y161 C207 V331 E334 F335P79-Y209 HydrophobicContact CG-CD1 4.41Å; P79-Y209 HydrophobicContact CG-CE1 3.96Å; K82-Y209 HydrophobicContact CB-CD1 4.07Å; K82-Y209 HydrophobicContact CB-CE1 4.44Å; K82-Y209 HydrophobicContact CD-CD1 4.23Å; K82-Y209 HydrophobicContact CD-CE1 3.98Å; K82-Y209 HydrophobicContact CG-CD1 4.21Å; K82-Y209 HydrophobicContact CG-CE1 4.46Å; E134-Y209 VanDerWaalsContact OE2-CE1 3.24Å; E134-Y209 WeakPolarHBondContact OE2-CE1 3.4Å; E134-Y209 PolarHBondContact OE2-OH 2.93Å; Y161-Y209 WeakPolarHBondContact CE2-OH 3.44Å; Y161-Y209 PolarHBondContact OH-OH 2.86Å; C207-Y209 PolarHBondContact O-N 2.96Å; C207-Y209 VanDerWaalsContact O-N 3.09Å; Y209-V331 HydrophobicContact CD2-CG1 4.31Å; Y209-E334 HydrophobicContact CD2-CB 4.35Å; Y209-E334 HydrophobicContact CD2-CG 3.94Å; Y209-E334 HydrophobicContact CE2-CB 4.27Å; Y209-E334 HydrophobicContact CE2-CG 3.55Å; Y209-F335 HydrophobicContact CD2-CD2 4.32Å; Y209-F335 HydrophobicContact CD2-CE1 4.1Å; Y209-F335 AromaticContact CD2-CE2 3.65Å; Y209-F335 HydrophobicContact CD2-CE2 3.65Å; Y209-F335 AromaticContact CD2-CZ 3.52Å; Y209-F335 HydrophobicContact CD2-CZ 3.52Å; Y209-F335 AromaticContact CE2-CD1 3.9Å; Y209-F335 HydrophobicContact CE2-CD1 3.9Å; Y209-F335 HydrophobicContact CE2-CD2 4.25Å; Y209-F335 AromaticContact CE2-CE1 3.34Å; Y209-F335 HydrophobicContact CE2-CE1 3.34Å; Y209-F335 AromaticContact CE2-CE2 3.74Å; Y209-F335 HydrophobicContact CE2-CE2 3.74Å; Y209-F335 HydrophobicContact CE2-CG 4.33Å; Y209-F335 AromaticContact CE2-CZ 3.25Å; Y209-F335 HydrophobicContact CE2-CZ 3.25Å; Y209-F335 AromaticContact CZ-CE1 3.98Å
210L87.4Confident87.6Confident26 Ų2634.4 Ų34.414%0.13620%0.197CC..  trans-126.375.7-178.3-173.766.7000109.7I203 G206 C207 K212 G213 F328I203-L210 HydrophobicContact CG2-CD2 4.38Å; G206-L210 CarbonylContact C-O 3.18Å; G206-L210 WeakPolarHBondContact CA-O 3.41Å; C207-L210 PolarHBondContact N-O 3.19Å; C207-L210 CarbonylContact O-C 3.38Å; C207-L210 PolarHBondContact O-N 3.31Å; L210-K212 PolarHBondContact O-N 3.47Å; L210-G213 PolarHBondContact O-N 3.39Å; L210-F328 HydrophobicContact CD1-CD1 4.28Å; L210-F328 HydrophobicContact CD1-CE1 4.13Å; L210-F328 HydrophobicContact CD1-CE2 4.49Å; L210-F328 HydrophobicContact CD1-CZ 4.22Å; L210-F328 HydrophobicContact CD2-CD2 3.69Å; L210-F328 HydrophobicContact CD2-CE2 3.7Å; L210-F328 HydrophobicContact CD2-CG 4.18Å; L210-F328 HydrophobicContact CD2-CZ 4.23Å
211P80.1Confident87.3Confident71 Ų7137.7 Ų37.746%0.46121%0.212SC..THydrogen-bonded Turntrans-68.7-11-165.929-39.6000114.9V85V85-P211 HydrophobicContact CG2-CB 3.95Å; V85-P211 HydrophobicContact CG2-CG 3.65Å
212K79.1Confident87.1Confident183 Ų18337.7 Ų37.780%0.79621%0.212SC*.THydrogen-bonded Turntrans-97.9-18.9179.5-69.8-177.4177.31770114.1L210L210-K212 PolarHBondContact O-N 3.47Å
213G86.7Confident86.7Confident6 Ų640.5 Ų40.56%0.06223%0.227CC..  trans53.2-151-166.300000113I203 L210I203-G213 WeakPolarHBondContact O-CA 3.42Å; L210-G213 PolarHBondContact O-N 3.39Å
214V86.7Confident86.4Confident2 Ų245.2 Ų45.21%0.01225%0.247CC..SBendtrans-91.2120.7166.3175.70000108.7I203 L204 G216 V217 K319 A320 F326I203-V214 PolarHBondContact O-N 3.49Å; L204-V214 HydrophobicContact CD2-CB 4.37Å; L204-V214 HydrophobicContact CD2-CG2 4.03Å; L204-V214 PolarHBondContact O-N 2.95Å; V214-G216 PolarHBondContact O-N 3.17Å; V214-V217 HydrophobicContact CB-CB 4.36Å; V214-V217 HydrophobicContact CB-CG2 4.08Å; V214-V217 HydrophobicContact CG1-CG2 3.77Å; V214-V217 WeakPolarHBondContact O-CB 3.49Å; V214-V217 PolarHBondContact O-N 2.72Å; V214-V217 VanDerWaalsContact O-N 3.09Å; V214-K319 HydrophobicContact CG1-CB 3.71Å; V214-A320 HydrophobicContact CG1-CB 4.37Å; V214-A320 HydrophobicContact CG2-CB 4.44Å; V214-F326 HydrophobicContact CG2-CD2 4.48Å; V214-F326 HydrophobicContact CG2-CE2 4.44Å
215P84.6Confident86Confident79 Ų7945.1 Ų45.151%0.51325%0.247SC..THydrogen-bonded Turntrans-63.4131-169.625.6-33.9000112.2V217 C323P215-V217 VanDerWaalsContact C-N 3.26Å; P215-V217 PolarHBondContact O-N 2.72Å; P215-C323 WeakPolarHBondContact CD-SG 3.41Å
216G82.9Confident85.5Confident56 Ų5645.7 Ų45.758%0.57725%0.25SC*.THydrogen-bonded Turntrans7411.6-178.700000114.7V214 Q221 K319V214-G216 PolarHBondContact O-N 3.17Å; G216-Q221 PolarHBondContact O-NE2 2.93Å; G216-Q221 PolarHBondContact O-OE1 3.41Å; G216-K319 PolarHBondContact O-NZ 2.9Å
217V85.4Confident85Confident19 Ų1952.6 Ų52.612%0.11528%0.282CS..  trans-94.2140.9159.3177.60000108.3L204 V214 P215 Q221 A222 M316 K319L204-V217 HydrophobicContact CB-CG1 4.09Å; L204-V217 HydrophobicContact CD2-CG1 4.48Å; V214-V217 HydrophobicContact CB-CB 4.36Å; V214-V217 HydrophobicContact CB-CG2 4.08Å; V214-V217 HydrophobicContact CG1-CG2 3.77Å; V214-V217 WeakPolarHBondContact O-CB 3.49Å; V214-V217 PolarHBondContact O-N 2.72Å; V214-V217 VanDerWaalsContact O-N 3.09Å; P215-V217 VanDerWaalsContact C-N 3.26Å; P215-V217 PolarHBondContact O-N 2.72Å; V217-Q221 HydrophobicContact CG1-CB 4.23Å; V217-A222 HydrophobicContact CG1-CB 4.47Å; V217-M316 HydrophobicContact CG1-CE 3.72Å; V217-M316 HydrophobicContact CG2-CE 4.21Å; V217-M316 HydrophobicContact CG2-CG 4.47Å; V217-K319 HydrophobicContact CG2-CD 3.87Å
218G85.6Confident84.5Confident27 Ų2753.5 Ų53.528%0.27829%0.286SS..  trans-144.2175.3175.300000110.4E220 Q221 A222G218-E220 VanDerWaalsContact C-N 3.25Å; G218-E220 PolarHBondContact O-N 2.97Å; G218-Q221 PolarHBondContact O-N 3.36Å; G218-A222 PolarHBondContact O-N 2.74Å; G218-A222 VanDerWaalsContact O-N 3.1Å
219K86.9Confident83.8Confident76 Ų7653.3 Ų53.333%0.3329%0.285SS..Hα-helixtrans-45.4-43.1-170.660.1179.8176.9178.50114.8D5 I9 A222 L223D5-K219 HydrophobicContact CB-CB 4.11Å; D5-K219 HydrophobicContact CB-CD 4.3Å; D5-K219 WeakPolarHBondContact OD2-CD 3.4Å; I9-K219 HydrophobicContact CD1-CB 4.06Å; I9-K219 HydrophobicContact CG1-CB 4.38Å; K219-A222 PolarHBondContact O-N 3.35Å; K219-L223 WeakPolarHBondContact O-CB 3.4Å; K219-L223 VanDerWaalsContact O-CG 3.3Å; K219-L223 WeakPolarHBondContact O-CG 3.48Å; K219-L223 PolarHBondContact O-N 2.87Å
220E86.8Confident82.8Confident128 Ų12860.9 Ų60.960%0.59832%0.318SS*.Hα-helixtrans-66.6-37.7179.6-66.2-179-15500114G218 K224G218-E220 VanDerWaalsContact C-N 3.25Å; G218-E220 PolarHBondContact O-N 2.97Å; E220-K224 WeakPolarHBondContact O-CB 3.35Å; E220-K224 WeakPolarHBondContact O-CD 3.48Å; E220-K224 WeakPolarHBondContact O-CG 3.34Å; E220-K224 PolarHBondContact O-N 3.37Å
221Q85.9Confident81.7Confident68 Ų6863.5 Ų63.532%0.31835%0.352SS..Hα-helixtrans-72.6-41.5177.7-72.3175.439.600110.2G216 V217 G218 K224 L225 M316G216-Q221 PolarHBondContact O-NE2 2.93Å; G216-Q221 PolarHBondContact O-OE1 3.41Å; V217-Q221 HydrophobicContact CG1-CB 4.23Å; G218-Q221 PolarHBondContact O-N 3.36Å; Q221-K224 PolarHBondContact O-N 3.39Å; Q221-L225 PolarHBondContact O-N 2.94Å; Q221-M316 HydrophobicContact CB-CE 4.4Å; Q221-M316 HydrophobicContact CB-SD 4Å; Q221-M316 VanDerWaalsContact O-SD 3.34Å
222A86.6Confident81.3Confident0 Ų064.8 Ų64.80%035%0.351CS..Hα-helixtrans-64-43.6176.100000112.5L201 L204 L205 V217 G218 K219 L225 I226L201-A222 HydrophobicContact CD1-CB 3.49Å; L201-A222 VanDerWaalsContact CD1-CB 3.49Å; L204-A222 HydrophobicContact CD1-CB 4.14Å; L205-A222 HydrophobicContact CD2-CB 4.06Å; L205-A222 HydrophobicContact CG-CB 4.46Å; V217-A222 HydrophobicContact CG1-CB 4.47Å; G218-A222 PolarHBondContact O-N 2.74Å; G218-A222 VanDerWaalsContact O-N 3.1Å; K219-A222 PolarHBondContact O-N 3.35Å; A222-L225 WeakPolarHBondContact O-CB 3.08Å; A222-L225 PolarHBondContact O-N 3.45Å; A222-I226 WeakPolarHBondContact O-CD1 3.36Å; A222-I226 WeakPolarHBondContact O-CG1 3.28Å; A222-I226 PolarHBondContact O-N 3.3Å
223L84.6Confident81.3Confident61 Ų6156.5 Ų56.532%0.31932%0.317SS..Hα-helixtrans-65-39.2175.3-73174.5000112.8I9 K219 L225 I226 Q227I9-L223 HydrophobicContact CG1-CD1 4.3Å; I9-L223 HydrophobicContact CG2-CD2 3.94Å; K219-L223 WeakPolarHBondContact O-CB 3.4Å; K219-L223 VanDerWaalsContact O-CG 3.3Å; K219-L223 WeakPolarHBondContact O-CG 3.48Å; K219-L223 PolarHBondContact O-N 2.87Å; L223-L225 VanDerWaalsContact C-N 3.34Å; L223-L225 PolarHBondContact O-N 2.94Å; L223-I226 HydrophobicContact CD2-CD1 4.43Å; L223-I226 PolarHBondContact O-N 3.11Å; L223-Q227 WeakPolarHBondContact O-CG 3.39Å; L223-Q227 PolarHBondContact O-N 3.13Å
224K85.3Confident81.2Confident99 Ų9956.3 Ų56.343%0.4331%0.314SS..Hα-helixtrans-60.4-43172.1-76.8167.1-177.9168.50111.4E220 Q221 I226 Q227 I228 V312E220-K224 WeakPolarHBondContact O-CB 3.35Å; E220-K224 WeakPolarHBondContact O-CD 3.48Å; E220-K224 WeakPolarHBondContact O-CG 3.34Å; E220-K224 PolarHBondContact O-N 3.37Å; Q221-K224 PolarHBondContact O-N 3.39Å; K224-I226 PolarHBondContact O-N 2.93Å; K224-Q227 PolarHBondContact O-N 3.06Å; K224-I228 WeakPolarHBondContact O-CD1 3.37Å; K224-I228 VanDerWaalsContact O-CG1 3.23Å; K224-I228 WeakPolarHBondContact O-CG1 3.4Å; K224-I228 PolarHBondContact O-N 3Å; K224-V312 HydrophobicContact CB-CG1 4.33Å
225L83.9Confident81Confident0 Ų057 Ų570%032%0.318CS..Hα-helixtrans-61.6-41.3175.2-179.261.5000112.6L204 Q221 A222 L223 Q227 I228 L229 L234 F238 W241 E313 M316L204-L225 HydrophobicContact CD1-CD2 4.01Å; Q221-L225 PolarHBondContact O-N 2.94Å; A222-L225 WeakPolarHBondContact O-CB 3.08Å; A222-L225 PolarHBondContact O-N 3.45Å; L223-L225 VanDerWaalsContact C-N 3.34Å; L223-L225 PolarHBondContact O-N 2.94Å; L225-Q227 VanDerWaalsContact C-N 3.34Å; L225-Q227 PolarHBondContact O-N 3.19Å; L225-I228 WeakPolarHBondContact O-CB 3.48Å; L225-I228 PolarHBondContact O-N 3.31Å; L225-L229 HydrophobicContact CD1-CD1 4.27Å; L225-L229 HydrophobicContact CD1-CG 4.39Å; L225-L229 HydrophobicContact CG-CD1 3.99Å; L225-L229 WeakPolarHBondContact O-CD1 3.17Å; L225-L229 VanDerWaalsContact O-CG 3.29Å; L225-L229 WeakPolarHBondContact O-CG 3.26Å; L225-L229 PolarHBondContact O-N 3.11Å; L225-L229 VanDerWaalsContact O-N 3.14Å; L225-L234 HydrophobicContact CD2-CD2 3.54Å; L225-L234 HydrophobicContact CG-CD2 3.91Å; L225-F238 HydrophobicContact CD2-CE1 4.38Å; L225-W241 HydrophobicContact CD1-CH2 4.47Å; L225-W241 HydrophobicContact CD1-CZ2 4.18Å; L225-W241 HydrophobicContact CD2-CH2 3.73Å; L225-W241 HydrophobicContact CD2-CZ2 4.21Å; L225-E313 HydrophobicContact CD1-CB 4.48Å; L225-E313 HydrophobicContact CD1-CG 3.88Å; L225-M316 HydrophobicContact CB-CE 4Å; L225-M316 HydrophobicContact CB-SD 3.82Å; L225-M316 HydrophobicContact CD2-CE 3.61Å; L225-M316 HydrophobicContact CD2-SD 4.13Å; L225-M316 HydrophobicContact CG-CE 4.43Å; L225-M316 HydrophobicContact CG-SD 4.47Å
226I80.8Confident80.8Confident26 Ų2659.4 Ų59.413%0.13332%0.322CS..Hα-helixtrans-62.3-42.1176.5-70.7157000111.1L193 L201 A222 L223 K224 I228 L229 L234L193-I226 HydrophobicContact CD2-CD1 3.78Å; L193-I226 HydrophobicContact CD2-CG1 4.38Å; L193-I226 HydrophobicContact CD2-CG2 3.72Å; L201-I226 HydrophobicContact CD1-CD1 4.16Å; A222-I226 WeakPolarHBondContact O-CD1 3.36Å; A222-I226 WeakPolarHBondContact O-CG1 3.28Å; A222-I226 PolarHBondContact O-N 3.3Å; L223-I226 HydrophobicContact CD2-CD1 4.43Å; L223-I226 PolarHBondContact O-N 3.11Å; K224-I226 PolarHBondContact O-N 2.93Å; I226-I228 VanDerWaalsContact C-N 3.31Å; I226-I228 PolarHBondContact O-N 3.24Å; I226-L229 PolarHBondContact O-N 3.14Å; I226-L234 HydrophobicContact CD1-CD1 4.15Å; I226-L234 HydrophobicContact CG1-CD1 3.81Å; I226-L234 HydrophobicContact CG1-CG 4.49Å
227Q80.3Confident80.8Confident144 Ų14459 Ų5967%0.67330%0.303SS*.Hα-helixtrans-63.2-33.9174.7-70.3170.5-11.700112.9L223 K224 L225L223-Q227 WeakPolarHBondContact O-CG 3.39Å; L223-Q227 PolarHBondContact O-N 3.13Å; K224-Q227 PolarHBondContact O-N 3.06Å; L225-Q227 VanDerWaalsContact C-N 3.34Å; L225-Q227 PolarHBondContact O-N 3.19Å
228I80.3Confident80.7Confident25 Ų2558.1 Ų58.113%0.12830%0.298CS..Hα-helixtrans-66.5-37.8175.5-67.9164.7000111.6K224 L225 I226 K230 L309 V312K224-I228 WeakPolarHBondContact O-CD1 3.37Å; K224-I228 VanDerWaalsContact O-CG1 3.23Å; K224-I228 WeakPolarHBondContact O-CG1 3.4Å; K224-I228 PolarHBondContact O-N 3Å; L225-I228 WeakPolarHBondContact O-CB 3.48Å; L225-I228 PolarHBondContact O-N 3.31Å; I226-I228 VanDerWaalsContact C-N 3.31Å; I226-I228 PolarHBondContact O-N 3.24Å; I228-K230 VanDerWaalsContact C-N 3.33Å; I228-K230 PolarHBondContact O-N 3.34Å; I228-L309 HydrophobicContact CD1-CB 3.97Å; I228-L309 HydrophobicContact CD1-CD2 4.06Å; I228-L309 HydrophobicContact CD1-CG 4.49Å; I228-L309 WeakPolarHBondContact CD1-O 3.48Å; I228-L309 HydrophobicContact CG1-CB 3.87Å; I228-L309 HydrophobicContact CG1-CD1 4.05Å; I228-L309 HydrophobicContact CG1-CD2 3.73Å; I228-L309 HydrophobicContact CG1-CG 4.06Å; I228-V312 HydrophobicContact CD1-CB 4.28Å; I228-V312 HydrophobicContact CD1-CG1 4.28Å
229L72.5Confident80.5Confident12 Ų1259.9 Ų59.96%0.06330%0.301CS..Hα-helixtrans-73.6-17.1-166.6-77.8165.1000115.4L225 I226 G231 Q232 L234 R237L225-L229 HydrophobicContact CD1-CD1 4.27Å; L225-L229 HydrophobicContact CD1-CG 4.39Å; L225-L229 HydrophobicContact CG-CD1 3.99Å; L225-L229 WeakPolarHBondContact O-CD1 3.17Å; L225-L229 VanDerWaalsContact O-CG 3.29Å; L225-L229 WeakPolarHBondContact O-CG 3.26Å; L225-L229 PolarHBondContact O-N 3.11Å; L225-L229 VanDerWaalsContact O-N 3.14Å; I226-L229 PolarHBondContact O-N 3.14Å; L229-G231 PolarHBondContact O-N 3.33Å; L229-Q232 HydrophobicContact CD2-CB 4.13Å; L229-Q232 WeakPolarHBondContact O-CB 3.46Å; L229-Q232 PolarHBondContact O-N 3.08Å; L229-L234 HydrophobicContact CD1-CD2 3.38Å; L229-L234 HydrophobicContact CD1-CG 3.75Å; L229-R237 HydrophobicContact CD2-CB 3.94Å; L229-R237 HydrophobicContact CD2-CG 3.76Å
230K67.4Low80.3Confident170 Ų17063 Ų6374%0.73931%0.31SS*.THydrogen-bonded Turntrans45.939169.3-65.6176.4-178.8175.40114.7I228I228-K230 VanDerWaalsContact C-N 3.33Å; I228-K230 PolarHBondContact O-N 3.34Å
231G64.2Low80Confident81 Ų8157.2 Ų57.284%0.83528%0.283SS*.THydrogen-bonded Turntrans96.83179.300000116.3L229L229-G231 PolarHBondContact O-N 3.33Å
232Q70.9Confident79.5Confident98 Ų9856.8 Ų56.846%0.45828%0.283SS..  trans-80138.5161.7-64.3-178.25.100109.6L229L229-Q232 HydrophobicContact CD2-CB 4.13Å; L229-Q232 WeakPolarHBondContact O-CB 3.46Å; L229-Q232 PolarHBondContact O-N 3.08Å
233S79.9Confident78.7Confident10 Ų1062.3 Ų62.37%0.0731%0.309CS..  trans-77.6146.4179.978.60000112.7D196 L235 Q236 R237D196-S233 WeakPolarHBondContact OD2-CB 3.19Å; D196-S233 PolarHBondContact OD2-OG 3.36Å; S233-L235 PolarHBondContact O-N 2.9Å; S233-Q236 PolarHBondContact O-N 3.45Å; S233-Q236 WeakPolarHBondContact OG-CG 3.42Å; S233-Q236 PolarHBondContact OG-N 2.74Å; S233-R237 PolarHBondContact O-N 3.14Å; S233-R237 VanDerWaalsContact O-N 3.08Å
234L82.9Confident77.6Confident2 Ų261.6 Ų61.61%0.0131%0.307CS..Hα-helixtrans-56.6-40.6179.2-85.3166.7000111.5A197 L204 L225 I226 L229 R237 F238A197-L234 HydrophobicContact CB-CD1 4.46Å; A197-L234 WeakPolarHBondContact O-CD1 3.49Å; L204-L234 HydrophobicContact CD1-CD2 4.32Å; L225-L234 HydrophobicContact CD2-CD2 3.54Å; L225-L234 HydrophobicContact CG-CD2 3.91Å; I226-L234 HydrophobicContact CD1-CD1 4.15Å; I226-L234 HydrophobicContact CG1-CD1 3.81Å; I226-L234 HydrophobicContact CG1-CG 4.49Å; L229-L234 HydrophobicContact CD1-CD2 3.38Å; L229-L234 HydrophobicContact CD1-CG 3.75Å; L234-R237 WeakPolarHBondContact O-CB 3.3Å; L234-R237 PolarHBondContact O-N 2.84Å; L234-R237 VanDerWaalsContact O-N 3.17Å; L234-F238 HydrophobicContact CB-CE1 4.29Å; L234-F238 HydrophobicContact CB-CE2 4.29Å; L234-F238 HydrophobicContact CB-CZ 3.96Å; L234-F238 HydrophobicContact CD2-CE1 3.66Å; L234-F238 HydrophobicContact CD2-CZ 3.74Å; L234-F238 HydrophobicContact CG-CZ 4.35Å; L234-F238 WeakPolarHBondContact O-CD1 3.36Å; L234-F238 WeakPolarHBondContact O-CG 3.27Å; L234-F238 PolarHBondContact O-N 3.46Å
235L82.6Confident76.3Confident17 Ų1759.9 Ų59.99%0.08931%0.308CS..Hα-helixtrans-64.9-42.5-179.9-55.2-176.9000112.4D196 V199 I203 S233 R237 F238 N239 I332 L336D196-L235 HydrophobicContact CB-CD1 3.9Å; D196-L235 HydrophobicContact CB-CG 4.31Å; V199-L235 HydrophobicContact CG1-CD1 4.31Å; V199-L235 HydrophobicContact CG1-CD2 4.25Å; I203-L235 HydrophobicContact CD1-CD2 3.96Å; S233-L235 PolarHBondContact O-N 2.9Å; L235-R237 VanDerWaalsContact C-N 3.3Å; L235-R237 PolarHBondContact O-N 2.88Å; L235-F238 HydrophobicContact CD2-CD2 4.25Å; L235-F238 HydrophobicContact CD2-CE2 4.5Å; L235-F238 PolarHBondContact O-N 3.32Å; L235-N239 PolarHBondContact O-N 3.16Å; L235-N239 PolarHBondContact O-OD1 3.35Å; L235-I332 HydrophobicContact CD1-CG2 4.17Å; L235-I332 HydrophobicContact CD2-CD1 4.03Å; L235-I332 HydrophobicContact CD2-CG1 4.17Å; L235-L336 HydrophobicContact CD1-CD1 4.3Å
236Q81.9Confident74.4Confident129 Ų12964.9 Ų64.960%0.60334%0.341SS*.Hα-helixtrans-60.8-40.5172.6-72.41723.800111.5S233 R240S233-Q236 PolarHBondContact O-N 3.45Å; S233-Q236 WeakPolarHBondContact OG-CG 3.42Å; S233-Q236 PolarHBondContact OG-N 2.74Å; Q236-R240 PolarHBondContact O-N 2.88Å; Q236-R240 VanDerWaalsContact O-N 3.09Å
237R82.6Confident72.6Confident48 Ų4869.1 Ų69.118%0.18136%0.364CS..Hα-helixtrans-66.3-40.4177.5-159.175177.1-170.3-0.8112.2L229 S233 L234 L235 R240 W241 E313L229-R237 HydrophobicContact CD2-CB 3.94Å; L229-R237 HydrophobicContact CD2-CG 3.76Å; S233-R237 PolarHBondContact O-N 3.14Å; S233-R237 VanDerWaalsContact O-N 3.08Å; L234-R237 WeakPolarHBondContact O-CB 3.3Å; L234-R237 PolarHBondContact O-N 2.84Å; L234-R237 VanDerWaalsContact O-N 3.17Å; L235-R237 VanDerWaalsContact C-N 3.3Å; L235-R237 PolarHBondContact O-N 2.88Å; R237-R240 PolarHBondContact O-N 3.19Å; R237-W241 HydrophobicContact CG-CZ2 4.34Å; R237-W241 VanDerWaalsContact O-CG 3.31Å; R237-W241 PolarHBondContact O-N 3.1Å; R237-E313 IonicContact CZ-OE1 2.64Å; R237-E313 VanDerWaalsContact CZ-OE1 3.24Å; R237-E313 IonicContact CZ-OE2 2.69Å; R237-E313 IonicContact NE-OE1 2.64Å; R237-E313 PolarHBondContact NE-OE1 3.04Å; R237-E313 IonicContact NE-OE2 2.69Å; R237-E313 IonicContact NH2-OE1 2.65Å; R237-E313 PolarHBondContact NH2-OE1 3.19Å; R237-E313 IonicContact NH2-OE2 2.8Å; R237-E313 PolarHBondContact NH2-OE2 3.46Å
238F83.9Confident71.1Confident0 Ų068.2 Ų68.20%037%0.374CS..Hα-helixtrans-65.5-40.5178.5-62.3-11.3000112.2I203 L204 L225 L234 L235 W241 N242 F326 P327I203-F238 HydrophobicContact CB-CE2 4.31Å; I203-F238 HydrophobicContact CD1-CE2 4.48Å; I203-F238 HydrophobicContact CG2-CE2 4.21Å; L204-F238 HydrophobicContact CD1-CE1 4.39Å; L204-F238 HydrophobicContact CD1-CZ 3.85Å; L204-F238 HydrophobicContact CD2-CE1 4.34Å; L204-F238 HydrophobicContact CD2-CZ 3.97Å; L204-F238 HydrophobicContact CG-CE1 4.49Å; L204-F238 HydrophobicContact CG-CZ 3.74Å; L225-F238 HydrophobicContact CD2-CE1 4.38Å; L234-F238 HydrophobicContact CB-CE1 4.29Å; L234-F238 HydrophobicContact CB-CE2 4.29Å; L234-F238 HydrophobicContact CB-CZ 3.96Å; L234-F238 HydrophobicContact CD2-CE1 3.66Å; L234-F238 HydrophobicContact CD2-CZ 3.74Å; L234-F238 HydrophobicContact CG-CZ 4.35Å; L234-F238 WeakPolarHBondContact O-CD1 3.36Å; L234-F238 WeakPolarHBondContact O-CG 3.27Å; L234-F238 PolarHBondContact O-N 3.46Å; L235-F238 HydrophobicContact CD2-CD2 4.25Å; L235-F238 HydrophobicContact CD2-CE2 4.5Å; L235-F238 PolarHBondContact O-N 3.32Å; F238-W241 HydrophobicContact CD1-CD2 4.48Å; F238-W241 AromaticContact CD1-CE3 3.88Å; F238-W241 HydrophobicContact CD1-CE3 3.88Å; F238-W241 HydrophobicContact CD1-CH2 4.3Å; F238-W241 AromaticContact CD1-CZ3 3.79Å; F238-W241 HydrophobicContact CD1-CZ3 3.79Å; F238-W241 HydrophobicContact CE1-CE3 4.44Å; F238-W241 HydrophobicContact CE1-CH2 4.14Å; F238-W241 AromaticContact CE1-CZ3 3.87Å; F238-W241 HydrophobicContact CE1-CZ3 3.87Å; F238-W241 WeakPolarHBondContact O-CB 3.39Å; F238-W241 PolarHBondContact O-N 3.18Å; F238-N242 PolarHBondContact O-N 3.41Å; F238-N242 VanDerWaalsContact O-N 3.08Å; F238-F326 HydrophobicContact CB-CE1 3.94Å; F238-F326 HydrophobicContact CB-CZ 3.63Å; F238-F326 AromaticContact CD1-CZ 3.82Å; F238-F326 HydrophobicContact CD1-CZ 3.82Å; F238-F326 HydrophobicContact CD2-CE2 4.26Å; F238-F326 AromaticContact CD2-CZ 3.92Å; F238-F326 HydrophobicContact CD2-CZ 3.92Å; F238-F326 HydrophobicContact CE1-CZ 4.46Å; F238-F326 HydrophobicContact CG-CE1 4.32Å; F238-F326 HydrophobicContact CG-CE2 4.31Å; F238-F326 AromaticContact CG-CZ 3.53Å; F238-F326 HydrophobicContact CG-CZ 3.53Å; F238-P327 HydrophobicContact CB-CB 3.87Å
239N80.6Confident69.5Low63 Ų6370.5 Ų70.534%0.33739%0.392SS..Hα-helixtrans-61.2-48173.2-67.1-2000110.8L235 W241 N242 E243L235-N239 PolarHBondContact O-N 3.16Å; L235-N239 PolarHBondContact O-OD1 3.35Å; N239-W241 VanDerWaalsContact C-N 3.3Å; N239-W241 PolarHBondContact O-N 3.14Å; N239-N242 WeakPolarHBondContact O-CB 3.45Å; N239-N242 PolarHBondContact O-N 2.8Å; N239-N242 VanDerWaalsContact O-N 3.1Å; N239-E243 WeakPolarHBondContact O-CG 3.16Å; N239-E243 PolarHBondContact O-N 3.44Å
240R82.1Confident68.1Low141 Ų14175.6 Ų75.653%0.53243%0.426SS..Hα-helixtrans-61.2-35.8175.3-173.5176.1-179.9169.42.7112.8Q236 R237 N242 T244Q236-R240 PolarHBondContact O-N 2.88Å; Q236-R240 VanDerWaalsContact O-N 3.09Å; R237-R240 PolarHBondContact O-N 3.19Å; R240-N242 VanDerWaalsContact C-N 3.34Å; R240-T244 VanDerWaalsContact O-CB 3.24Å; R240-T244 WeakPolarHBondContact O-CB 3.21Å; R240-T244 PolarHBondContact O-N 2.79Å; R240-T244 PolarHBondContact O-OG1 3.1Å
241W81.9Confident67.1Low7 Ų775.6 Ų75.63%0.02743%0.428CS..Hα-helixtrans-62.7-40.6174.4-75.9-2.8000112.1L225 R237 F238 N239 T244 S245 E313 M316 K317 A320 F326L225-W241 HydrophobicContact CD1-CH2 4.47Å; L225-W241 HydrophobicContact CD1-CZ2 4.18Å; L225-W241 HydrophobicContact CD2-CH2 3.73Å; L225-W241 HydrophobicContact CD2-CZ2 4.21Å; R237-W241 HydrophobicContact CG-CZ2 4.34Å; R237-W241 VanDerWaalsContact O-CG 3.31Å; R237-W241 PolarHBondContact O-N 3.1Å; F238-W241 HydrophobicContact CD1-CD2 4.48Å; F238-W241 AromaticContact CD1-CE3 3.88Å; F238-W241 HydrophobicContact CD1-CE3 3.88Å; F238-W241 HydrophobicContact CD1-CH2 4.3Å; F238-W241 AromaticContact CD1-CZ3 3.79Å; F238-W241 HydrophobicContact CD1-CZ3 3.79Å; F238-W241 HydrophobicContact CE1-CE3 4.44Å; F238-W241 HydrophobicContact CE1-CH2 4.14Å; F238-W241 AromaticContact CE1-CZ3 3.87Å; F238-W241 HydrophobicContact CE1-CZ3 3.87Å; F238-W241 WeakPolarHBondContact O-CB 3.39Å; F238-W241 PolarHBondContact O-N 3.18Å; N239-W241 VanDerWaalsContact C-N 3.3Å; N239-W241 PolarHBondContact O-N 3.14Å; W241-T244 CarbonylContact O-C 3.57Å; W241-S245 PolarHBondContact O-N 3.28Å; W241-S245 VanDerWaalsContact O-N 3.11Å; W241-E313 HydrophobicContact CZ2-CG 3.63Å; W241-E313 PolarHBondContact NE1-OE1 3.28Å; W241-M316 HydrophobicContact CH2-CB 4.03Å; W241-K317 HydrophobicContact CB-CD 4.25Å; W241-K317 HydrophobicContact CB-CG 4.03Å; W241-K317 HydrophobicContact CD2-CB 3.8Å; W241-K317 HydrophobicContact CD2-CD 4.48Å; W241-K317 HydrophobicContact CD2-CG 3.87Å; W241-K317 HydrophobicContact CE3-CB 4.1Å; W241-K317 HydrophobicContact CE3-CG 4.3Å; W241-K317 HydrophobicContact CG-CB 4.17Å; W241-K317 HydrophobicContact CG-CD 3.94Å; W241-K317 HydrophobicContact CG-CG 3.74Å; W241-K317 HydrophobicContact CZ2-CB 4.28Å; W241-K317 HydrophobicContact CZ3-CB 4.45Å; W241-K317 WeakPolarHBondContact O-CE 3.44Å; W241-A320 HydrophobicContact CE3-CB 4.02Å; W241-A320 HydrophobicContact CZ3-CB 3.85Å; W241-F326 HydrophobicContact CE3-CE1 4.14Å; W241-F326 HydrophobicContact CE3-CZ 4.03Å; W241-F326 HydrophobicContact CZ3-CZ 4.34Å
242N73.5Confident66.4Low60 Ų6076.4 Ų76.432%0.32142%0.419SS..Hα-helixtrans-63.5-53.3176.2-170.428.5000111F238 N239 R240 T244 S245 C246F238-N242 PolarHBondContact O-N 3.41Å; F238-N242 VanDerWaalsContact O-N 3.08Å; N239-N242 WeakPolarHBondContact O-CB 3.45Å; N239-N242 PolarHBondContact O-N 2.8Å; N239-N242 VanDerWaalsContact O-N 3.1Å; R240-N242 VanDerWaalsContact C-N 3.34Å; N242-T244 VanDerWaalsContact C-N 3.29Å; N242-T244 PolarHBondContact O-N 3.29Å; N242-S245 WeakPolarHBondContact O-CB 3.37Å; N242-S245 PolarHBondContact O-N 3.46Å; N242-S245 PolarHBondContact O-OG 3.09Å; N242-C246 PolarHBondContact O-N 2.86Å
243E70.5Confident65.5Low116 Ų11680 Ų8054%0.54244%0.44SS..Hα-helixtrans-56-41.9175.6-66.6161.9-170.600112.6N239 S245 C246 N247N239-E243 WeakPolarHBondContact O-CG 3.16Å; N239-E243 PolarHBondContact O-N 3.44Å; E243-S245 PolarHBondContact O-N 3.22Å; E243-C246 PolarHBondContact O-N 2.87Å; E243-N247 PolarHBondContact O-N 3.4Å; E243-N247 PolarHBondContact O-ND2 3.1Å
244T62.6Low64.5Low45 Ų4584.9 Ų84.928%0.27647%0.47SS..Hα-helixtrans-85.519176.7-35.50000112.2R240 W241 N242 K317R240-T244 VanDerWaalsContact O-CB 3.24Å; R240-T244 WeakPolarHBondContact O-CB 3.21Å; R240-T244 PolarHBondContact O-N 2.79Å; R240-T244 PolarHBondContact O-OG1 3.1Å; W241-T244 CarbonylContact O-C 3.57Å; N242-T244 VanDerWaalsContact C-N 3.29Å; N242-T244 PolarHBondContact O-N 3.29Å; T244-K317 PolarHBondContact O-NZ 3.4Å
245S56.3Low63.4Low63 Ų6388.5 Ų88.544%0.44149%0.492SS..Hα-helixtrans-108.6-33.4164.478.30000111.3W241 N242 E243W241-S245 PolarHBondContact O-N 3.28Å; W241-S245 VanDerWaalsContact O-N 3.11Å; N242-S245 WeakPolarHBondContact O-CB 3.37Å; N242-S245 PolarHBondContact O-N 3.46Å; N242-S245 PolarHBondContact O-OG 3.09Å; E243-S245 PolarHBondContact O-N 3.22Å
246C44.7Very low62.6Low105 Ų10596.1 Ų96.171%0.70952%0.524SS*.Hα-helixtrans-70.4-36.5170.9-53.70000112.3N242 E243N242-C246 PolarHBondContact O-N 2.86Å; E243-C246 PolarHBondContact O-N 2.87Å
247N43.8Very low62.1Low116 Ų11696.8 Ų96.862%0.6253%0.525SS*.SBendtrans-94118.8174.3-67.2-57.4000110.6E243 S249E243-N247 PolarHBondContact O-N 3.4Å; E243-N247 PolarHBondContact O-ND2 3.1Å; N247-S249 PolarHBondContact O-N 3.22Å
248S47Very low61.8Low124 Ų12499 Ų9987%0.86754%0.54SS*.  trans-67.489.2176.639.10000111.4
249S46.9Very low61.6Low74 Ų74101.7 Ų101.752%0.51756%0.563SS.*PPolyproline II helixtrans-61139.3-177.759.90000112.4N247N247-S249 PolarHBondContact O-N 3.22Å
250P43.4Very low61.8Low119 Ų119100.8 Ų100.877%0.77356%0.556SS**PPolyproline II helixtrans-52.7144.3172.3-26.334.7000112.4
251Q46.1Very low61.8Low169 Ų16994.3 Ų94.379%0.7953%0.532SS*.PPolyproline II helixtrans-54.3127.3168.8-75.7-77.9-14.700109.4L253Q251-L253 PolarHBondContact O-N 3.41Å
252P50.1Low61.8Low98 Ų9898.9 Ų98.964%0.63657%0.566SS**PPolyproline II helixtrans-55.4140167-22.633.5000109.5V254P252-V254 WeakPolarHBondContact O-CG2 3.33Å; P252-V254 PolarHBondContact O-N 3.11Å
253L51.9Low62.1Low173 Ų17399.3 Ų99.391%0.90657%0.57SS**  trans-61.9100173.6-85162000108.9Q251 T255Q251-L253 PolarHBondContact O-N 3.41Å; L253-T255 PolarHBondContact O-N 2.93Å
254V58Low62.6Low113 Ų11393.8 Ų93.869%0.68555%0.545SS*.  trans-69.896.9-177.1-177.20000108.9P252 K256P252-V254 WeakPolarHBondContact O-CG2 3.33Å; P252-V254 PolarHBondContact O-N 3.11Å; V254-K256 PolarHBondContact O-N 3.35Å
255T60.9Low63.5Low79 Ų7994.7 Ų94.749%0.48555%0.553SS.*  trans-53.8103.6167.4-53.50000108.1L253 K257 W300L253-T255 PolarHBondContact O-N 2.93Å; T255-K257 PolarHBondContact O-N 3.41Å; T255-W300 HydrophobicContact CG2-CB 4.45Å; T255-W300 VanDerWaalsContact O-CD1 3.29Å
256K65.5Low64.8Low176 Ų17691.9 Ų91.977%0.76553%0.533SS*.  trans-62.3133.9-174.7-67.2-177.7-180178.10109.3V254 L258V254-K256 PolarHBondContact O-N 3.35Å; K256-L258 PolarHBondContact O-N 2.93Å
257K72.6Confident66.7Low143 Ų14388.7 Ų88.762%0.62251%0.51SS*.  trans-61.4107.7173.6-175.8172.6-172.8170.40109T255 W300T255-K257 PolarHBondContact O-N 3.41Å; K257-W300 HydrophobicContact CB-CD2 4.17Å; K257-W300 HydrophobicContact CB-CG 4.43Å; K257-W300 HydrophobicContact CB-CZ2 4.15Å; K257-W300 HydrophobicContact CD-CD2 4.47Å; K257-W300 HydrophobicContact CD-CE3 4.49Å; K257-W300 HydrophobicContact CD-CH2 3.73Å; K257-W300 HydrophobicContact CD-CZ2 3.63Å; K257-W300 HydrophobicContact CD-CZ3 4.14Å; K257-W300 HydrophobicContact CG-CD2 3.86Å; K257-W300 HydrophobicContact CG-CE3 4.12Å; K257-W300 HydrophobicContact CG-CG 4.48Å; K257-W300 HydrophobicContact CG-CH2 4.19Å; K257-W300 HydrophobicContact CG-CZ2 3.88Å; K257-W300 HydrophobicContact CG-CZ3 4.28Å
258L76Confident68.4Low94 Ų9484.1 Ų84.149%0.49249%0.491SS..  trans-65.8144.3174.7-68.3168.8000109.7K256 H260 P267K256-L258 PolarHBondContact O-N 2.93Å; L258-H260 PolarHBondContact O-CE1 3.48Å; L258-H260 VanDerWaalsContact O-CE1 3.27Å; L258-H260 PolarHBondContact O-ND1 2.91Å; L258-P267 HydrophobicContact CD1-CB 4.29Å
259A78.3Confident70.1Confident57 Ų5779.7 Ų79.747%0.47146%0.46SS..  trans-60.2149.116300000109.2P267 G268A259-P267 WeakPolarHBondContact O-CA 3.44Å; A259-G268 CarbonylContact C-O 3.56Å; A259-G268 PolarHBondContact O-N 2.91Å
260H85.1Confident71.7Confident44 Ų4478.2 Ų78.220%0.20445%0.449CS..BIsolated β-bridgetrans-128.6145.8173.5-66.171000108.6L258 S265 H266 G268 C296 C298 H301L258-H260 PolarHBondContact O-CE1 3.48Å; L258-H260 VanDerWaalsContact O-CE1 3.27Å; L258-H260 PolarHBondContact O-ND1 2.91Å; H260-S265 PolarHBondContact CD2-O 3.01Å; H260-H266 CarbonylContact C-O 3.58Å; H260-H266 VanDerWaalsContact CA-O 3.27Å; H260-H266 WeakPolarHBondContact CA-O 3.34Å; H260-G268 CarbonylContact C-O 3.59Å; H260-G268 WeakPolarHBondContact CA-O 3.21Å; H260-G268 PolarHBondContact N-O 3.23Å; H260-C296 VanDerWaalsContact CD2-SG 3.53Å; H260-C296 PolarHBondContact NE2-SG 3.03Å; H260-C296 VanDerWaalsContact NE2-SG 3.4Å; H260-C298 PolarHBondContact NE2-SG 3.32Å; H260-H301 AromaticContact CD2-CE1 3.8Å; H260-H301 AromaticContact CD2-ND1 3.98Å; H260-H301 AromaticContact CE1-CE1 3.43Å; H260-H301 PolarHBondContact CE1-CE1 2.97Å; H260-H301 VanDerWaalsContact CE1-CE1 3.43Å; H260-H301 AromaticContact CE1-ND1 3.64Å; H260-H301 AromaticContact ND1-CE1 3.92Å; H260-H301 AromaticContact NE2-CE1 3.33Å; H260-H301 PolarHBondContact NE2-CE1 3.25Å; H260-H301 VanDerWaalsContact NE2-CE1 3.33Å; H260-H301 AromaticContact NE2-ND1 3.23Å; H260-H301 PolarHBondContact NE2-ND1 3.22Å
261C83Confident73.5Confident5 Ų579.3 Ų79.33%0.03444%0.441CS..  trans-74.1132.7-178.5177.40000110.7V263 S265 H266 G268 H273C261-V263 PolarHBondContact O-N 2.96Å; C261-V263 VanDerWaalsContact O-N 3.08Å; C261-S265 VanDerWaalsContact O-CA 3.27Å; C261-S265 WeakPolarHBondContact O-CA 3.5Å; C261-S265 PolarHBondContact O-N 3.43Å; C261-H266 PolarHBondContact N-O 3.37Å; C261-G268 PolarHBondContact N-O 3.36Å; C261-H273 VanDerWaalsContact CB-CE1 3.42Å; C261-H273 WeakPolarHBondContact CB-CE1 3.49Å; C261-H273 WeakPolarHBondContact CB-ND1 3.34Å
262S80.7Confident75.2Confident104 Ų10474.8 Ų74.873%0.72742%0.422SS*.THydrogen-bonded Turntrans-69.7-1.1-177.953.20000114.8
263V80.1Confident76.9Confident69 Ų6970.7 Ų70.742%0.41840%0.395SS..THydrogen-bonded Turntrans-106.1-59.4177.7-173.20000110.8C261 C287 P289C261-V263 PolarHBondContact O-N 2.96Å; C261-V263 VanDerWaalsContact O-N 3.08Å; V263-C287 HydrophobicContact CB-CB 3.91Å; V263-C287 HydrophobicContact CG1-CB 4.03Å; V263-C287 WeakPolarHBondContact CG1-O 3.5Å; V263-P289 WeakPolarHBondContact O-CA 3.45Å
264C82Confident78.2Confident0 Ų068.6 Ų68.60%038%0.381CS..THydrogen-bonded Turntrans-97.70.5-176.359.10000115.2H266 C281 C287 E288C264-H266 PolarHBondContact O-N 2.51Å; C264-C281 WeakPolarHBondContact CB-SG 3.45Å; C264-C287 HydrophobicContact CB-CB 3.88Å; C264-E288 WeakPolarHBondContact CA-O 3.38Å; C264-E288 WeakPolarHBondContact CB-O 3.42Å
265S80.2Confident79.3Confident64 Ų6473 Ų7345%0.44839%0.385SS..  trans57.311.8-176.9-610000115.7H260 C261H260-S265 PolarHBondContact CD2-O 3.01Å; C261-S265 VanDerWaalsContact O-CA 3.27Å; C261-S265 WeakPolarHBondContact O-CA 3.5Å; C261-S265 PolarHBondContact O-N 3.43Å
266H84.8Confident80.3Confident3 Ų375.2 Ų75.21%0.01439%0.394CS..  trans-83.8154.8178.2-67.6141.3000113H260 C261 C264 C278 L280 C281 H290 Y294H260-H266 CarbonylContact C-O 3.58Å; H260-H266 VanDerWaalsContact CA-O 3.27Å; H260-H266 WeakPolarHBondContact CA-O 3.34Å; C261-H266 PolarHBondContact N-O 3.37Å; C264-H266 PolarHBondContact O-N 2.51Å; H266-C278 PolarHBondContact ND1-SG 2.96Å; H266-C278 VanDerWaalsContact ND1-SG 3.4Å; H266-L280 HydrophobicContact CB-CB 4.48Å; H266-L280 HydrophobicContact CB-CD1 4.16Å; H266-L280 WeakPolarHBondContact CD2-CD1 3.4Å; H266-L280 WeakPolarHBondContact CE1-CB 3.49Å; H266-L280 VanDerWaalsContact NE2-CB 3.35Å; H266-L280 WeakPolarHBondContact NE2-CB 3.28Å; H266-C281 VanDerWaalsContact CE1-SG 3.53Å; H266-C281 PolarHBondContact ND1-SG 3.01Å; H266-H290 AromaticContact CE1-CE1 3.42Å; H266-H290 PolarHBondContact CE1-CE1 3.32Å; H266-H290 VanDerWaalsContact CE1-CE1 3.42Å; H266-H290 AromaticContact CE1-NE2 3.24Å; H266-H290 PolarHBondContact CE1-NE2 3Å; H266-H290 AromaticContact NE2-NE2 3.56Å; H266-Y294 AromaticContact CD2-CE1 3.85Å; H266-Y294 AromaticContact CD2-CZ 3.76Å; H266-Y294 PolarHBondContact CD2-OH 3.16Å; H266-Y294 AromaticContact NE2-CE1 3.87Å; H266-Y294 AromaticContact NE2-CZ 3.44Å; H266-Y294 PolarHBondContact NE2-OH 3.21Å
267P83.6Confident81Confident38 Ų3867.3 Ų67.325%0.24736%0.362CS..BIsolated β-bridgetrans-62.5143.7179.1-22.734.5000114.3L258 A259 H273 C298L258-P267 HydrophobicContact CD1-CB 4.29Å; A259-P267 WeakPolarHBondContact O-CA 3.44Å; P267-H273 PolarHBondContact O-CE1 3.17Å; P267-H273 PolarHBondContact O-NE2 3.08Å; P267-C298 HydrophobicContact CG-CB 3.56Å
268G80.3Confident81.5Confident21 Ų2160.7 Ų60.722%0.21633%0.333CS..SBendtrans111.1153.6-167.300000110.6A259 H260 C261A259-G268 CarbonylContact C-O 3.56Å; A259-G268 PolarHBondContact O-N 2.91Å; H260-G268 CarbonylContact C-O 3.59Å; H260-G268 WeakPolarHBondContact CA-O 3.21Å; H260-G268 PolarHBondContact N-O 3.23Å; C261-G268 PolarHBondContact N-O 3.36Å
269S82.7Confident81.7Confident30 Ų3067.5 Ų67.521%0.2135%0.353CS..  trans-78.2161.1171.979.30000110.7K271 D272 H273S269-K271 PolarHBondContact O-N 3.31Å; S269-D272 WeakPolarHBondContact CA-OD2 3.46Å; S269-D272 WeakPolarHBondContact CB-OD2 3.35Å; S269-D272 PolarHBondContact N-OD2 3.4Å; S269-D272 WeakPolarHBondContact O-CB 3.49Å; S269-D272 PolarHBondContact O-N 2.84Å; S269-D272 PolarHBondContact OG-N 3.49Å; S269-D272 PolarHBondContact OG-OD2 3.41Å; S269-H273 PolarHBondContact O-N 2.86Å
270P80.7Confident81.7Confident43 Ų4369.1 Ų69.128%0.27935%0.353SS..Hα-helixtrans-51.9-41.9174.4-26.834.8000112.6D272 H273 E274P270-D272 VanDerWaalsContact C-N 3.25Å; P270-D272 PolarHBondContact O-N 3.04Å; P270-H273 PolarHBondContact O-N 3.41Å; P270-H273 VanDerWaalsContact O-N 3.16Å; P270-E274 VanDerWaalsContact O-CG 3.32Å; P270-E274 WeakPolarHBondContact O-CG 3.32Å; P270-E274 PolarHBondContact O-N 2.99Å
271K80.7Confident81.5Confident142 Ų14268.1 Ų68.162%0.61735%0.35SS*.Hα-helixtrans-66.2-23178.2-64-176.7178.4-178.70114S269 R275S269-K271 PolarHBondContact O-N 3.31Å; K271-R275 VanDerWaalsContact O-CD 3.31Å; K271-R275 WeakPolarHBondContact O-CD 3.33Å; K271-R275 VanDerWaalsContact O-CG 3.22Å; K271-R275 WeakPolarHBondContact O-CG 3.22Å
272D81.6Confident81.4Confident74 Ų7477.1 Ų77.140%0.39639%0.389SS..Hα-helixtrans-79.6-37.1174.7-56.7-51.3000110.8S269 P270 R275 N276S269-D272 WeakPolarHBondContact CA-OD2 3.46Å; S269-D272 WeakPolarHBondContact CB-OD2 3.35Å; S269-D272 PolarHBondContact N-OD2 3.4Å; S269-D272 WeakPolarHBondContact O-CB 3.49Å; S269-D272 PolarHBondContact O-N 2.84Å; S269-D272 PolarHBondContact OG-N 3.49Å; S269-D272 PolarHBondContact OG-OD2 3.41Å; P270-D272 VanDerWaalsContact C-N 3.25Å; P270-D272 PolarHBondContact O-N 3.04Å; D272-R275 PolarHBondContact O-N 2.73Å; D272-N276 WeakPolarHBondContact O-CB 3.29Å; D272-N276 PolarHBondContact O-N 3.34Å; D272-N276 PolarHBondContact O-ND2 3.02Å
273H85.3Confident81.2Confident13 Ų1372.5 Ų72.56%0.0636%0.357CS..Hα-helixtrans-75-34176.5-63.9176.7000112.3C261 P267 S269 P270 R275 G277 C278 C287C261-H273 VanDerWaalsContact CB-CE1 3.42Å; C261-H273 WeakPolarHBondContact CB-CE1 3.49Å; C261-H273 WeakPolarHBondContact CB-ND1 3.34Å; P267-H273 PolarHBondContact O-CE1 3.17Å; P267-H273 PolarHBondContact O-NE2 3.08Å; S269-H273 PolarHBondContact O-N 2.86Å; P270-H273 PolarHBondContact O-N 3.41Å; P270-H273 VanDerWaalsContact O-N 3.16Å; H273-R275 PolarHBondContact O-N 3.42Å; H273-G277 VanDerWaalsContact O-CA 3.28Å; H273-G277 WeakPolarHBondContact O-CA 3.33Å; H273-G277 PolarHBondContact O-N 2.92Å; H273-C278 HydrophobicContact CB-CB 4.34Å; H273-C278 VanDerWaalsContact CE1-SG 3.52Å; H273-C287 VanDerWaalsContact CB-SG 3.53Å; H273-C287 PolarHBondContact ND1-SG 3.28Å; H273-C287 VanDerWaalsContact ND1-SG 3.41Å
274E80.6Confident80.8Confident129 Ų12975.7 Ų75.760%0.60337%0.372SS*.Hα-helixtrans-58.1-28.8169.1-75.5164.9-165.500112.9P270P270-E274 VanDerWaalsContact O-CG 3.32Å; P270-E274 WeakPolarHBondContact O-CG 3.32Å; P270-E274 PolarHBondContact O-N 2.99Å
275R81.6Confident80.1Confident205 Ų20584 Ų8477%0.77441%0.408SS*.Hα-helixtrans-101.7-36.6-174-71.7176178.1-157.4-4.5114.5K271 D272 H273K271-R275 VanDerWaalsContact O-CD 3.31Å; K271-R275 WeakPolarHBondContact O-CD 3.33Å; K271-R275 VanDerWaalsContact O-CG 3.22Å; K271-R275 WeakPolarHBondContact O-CG 3.22Å; D272-R275 PolarHBondContact O-N 2.73Å; H273-R275 PolarHBondContact O-N 3.42Å
276N81.1Confident79.6Confident126 Ų12688 Ų8867%0.67441%0.414SS*.Hα-helixtrans-123.66.3-169.5-48.2-77.8000113.2D272D272-N276 WeakPolarHBondContact O-CB 3.29Å; D272-N276 PolarHBondContact O-N 3.34Å; D272-N276 PolarHBondContact O-ND2 3.02Å
277G80.6Confident79.4Confident9 Ų989.1 Ų89.19%0.09342%0.422CS..  trans70.9177.2-172.400000114.3H273 S283 D284H273-G277 VanDerWaalsContact O-CA 3.28Å; H273-G277 WeakPolarHBondContact O-CA 3.33Å; H273-G277 PolarHBondContact O-N 2.92Å; G277-S283 CarbonylContact C-O 3.6Å; G277-S283 WeakPolarHBondContact CA-O 3.24Å; G277-D284 WeakPolarHBondContact CA-O 3.28Å; G277-D284 PolarHBondContact N-O 3.23Å
278C82.1Confident79.1Confident4 Ų492.3 Ų92.33%0.02743%0.433CS..BIsolated β-bridgetrans-117.6104.8176.7-170.80000110.3H266 H273 L280 C281 K282 S283H266-C278 PolarHBondContact ND1-SG 2.96Å; H266-C278 VanDerWaalsContact ND1-SG 3.4Å; H273-C278 HydrophobicContact CB-CB 4.34Å; H273-C278 VanDerWaalsContact CE1-SG 3.52Å; C278-L280 PolarHBondContact O-N 3.38Å; C278-L280 VanDerWaalsContact O-N 3.09Å; C278-C281 HydrophobicContact CB-CB 3.96Å; C278-C281 CarbonylContact O-C 3.6Å; C278-C281 PolarHBondContact O-N 2.97Å; C278-C281 VanDerWaalsContact O-N 3.08Å; C278-K282 PolarHBondContact O-N 3.06Å; C278-S283 PolarHBondContact N-O 2.97Å; C278-S283 PolarHBondContact O-N 2.86Å
279R81.3Confident78.9Confident238 Ų23896.3 Ų96.390%0.89846%0.456SS*.THydrogen-bonded Turntrans-56.3-29-176.4-65.1-175.6-179-174.4-0.3114.5
280L78.8Confident78.6Confident91 Ų9198.2 Ų98.248%0.47646%0.461SS..THydrogen-bonded Turntrans-85.9-29.7-179.5-65.3175.2000112.6H266 C278 K282 P297H266-L280 HydrophobicContact CB-CB 4.48Å; H266-L280 HydrophobicContact CB-CD1 4.16Å; H266-L280 WeakPolarHBondContact CD2-CD1 3.4Å; H266-L280 WeakPolarHBondContact CE1-CB 3.49Å; H266-L280 VanDerWaalsContact NE2-CB 3.35Å; H266-L280 WeakPolarHBondContact NE2-CB 3.28Å; C278-L280 PolarHBondContact O-N 3.38Å; C278-L280 VanDerWaalsContact O-N 3.09Å; L280-K282 VanDerWaalsContact C-N 3.29Å; L280-P297 HydrophobicContact CD1-CG 4.25Å
281C80.1Confident78.1Confident22 Ų22103.2 Ų103.215%0.14949%0.486CS..THydrogen-bonded Turntrans-78.1-11.9166.2-630000113.1C264 H266 C278 S283C264-C281 WeakPolarHBondContact CB-SG 3.45Å; H266-C281 VanDerWaalsContact CE1-SG 3.53Å; H266-C281 PolarHBondContact ND1-SG 3.01Å; C278-C281 HydrophobicContact CB-CB 3.96Å; C278-C281 CarbonylContact O-C 3.6Å; C278-C281 PolarHBondContact O-N 2.97Å; C278-C281 VanDerWaalsContact O-N 3.08Å; C281-S283 WeakPolarHBondContact CB-OG 3.45Å; C281-S283 PolarHBondContact O-N 3.46Å
282K80.6Confident77.2Confident194 Ų194107.5 Ų107.584%0.84350%0.5SS*.THydrogen-bonded Turntrans55.435.2-170.8-54.8178.3-177.9174.30113.5C278 L280C278-K282 PolarHBondContact O-N 3.06Å; L280-K282 VanDerWaalsContact C-N 3.29Å
283S76.9Confident76.6Confident8 Ų8112.5 Ų112.56%0.05652%0.52CS..BIsolated β-bridgetrans-124.6133.3-171.757.80000111.9G277 C278 C281 Y286G277-S283 CarbonylContact C-O 3.6Å; G277-S283 WeakPolarHBondContact CA-O 3.24Å; C278-S283 PolarHBondContact N-O 2.97Å; C278-S283 PolarHBondContact O-N 2.86Å; C281-S283 WeakPolarHBondContact CB-OG 3.45Å; C281-S283 PolarHBondContact O-N 3.46Å; S283-Y286 WeakPolarHBondContact CB-O 3.41Å; S283-Y286 PolarHBondContact OG-O 3.02Å
284D71.3Confident76.1Confident135 Ų135115.6 Ų115.672%0.72253%0.532SS*.SBendtrans-85.4-17.1-169.8-59-44.9000114.6G277G277-D284 WeakPolarHBondContact CA-O 3.28Å; G277-D284 PolarHBondContact N-O 3.23Å
285K67.6Low75.7Confident174 Ų174114.8 Ų114.876%0.75754%0.54SS*.SBendtrans-144.5-10.7-170.3-64.4-174.3-178.8176.30116.7
286Y70.2Confident75.5Confident149 Ų149105.9 Ų105.958%0.58451%0.509SS*.  trans-143.2149.9-17659.6-91.5000110.6S283 E288S283-Y286 WeakPolarHBondContact CB-O 3.41Å; S283-Y286 PolarHBondContact OG-O 3.02Å; Y286-E288 HydrophobicContact CD2-CG 4.28Å; Y286-E288 HydrophobicContact CE2-CG 4.15Å
287C80.9Confident75.3Confident27 Ų27102.5 Ų102.518%0.18249%0.494CS..  trans-108.5132.7178.8-72.90000110.4V263 C264 H273V263-C287 HydrophobicContact CB-CB 3.91Å; V263-C287 HydrophobicContact CG1-CB 4.03Å; V263-C287 WeakPolarHBondContact CG1-O 3.5Å; C264-C287 HydrophobicContact CB-CB 3.88Å; H273-C287 VanDerWaalsContact CB-SG 3.53Å; H273-C287 PolarHBondContact ND1-SG 3.28Å; H273-C287 VanDerWaalsContact ND1-SG 3.41Å
288E76Confident75.3Confident104 Ų104102.6 Ų102.649%0.48649%0.493SS..PPolyproline II helixtrans-89.9132.4176.1-65.9-175.8170.300110.4C264 Y286 H290C264-E288 WeakPolarHBondContact CA-O 3.38Å; C264-E288 WeakPolarHBondContact CB-O 3.42Å; Y286-E288 HydrophobicContact CD2-CG 4.28Å; Y286-E288 HydrophobicContact CE2-CG 4.15Å; E288-H290 PolarHBondContact O-CE1 2.92Å; E288-H290 PolarHBondContact O-ND1 3.07Å
289P77.2Confident75.1Confident106 Ų106106.9 Ų106.969%0.68852%0.515SS*.PPolyproline II helixtrans-67.3134.3177.329.3-34.1000110.4V263V263-P289 WeakPolarHBondContact O-CA 3.45Å
290H74.8Confident75Confident69 Ų6996.8 Ų96.832%0.31948%0.477SS..PPolyproline II helixtrans-95.4153178.6-72.741.5000110.6H266 E288 Y294H266-H290 AromaticContact CE1-CE1 3.42Å; H266-H290 PolarHBondContact CE1-CE1 3.32Å; H266-H290 VanDerWaalsContact CE1-CE1 3.42Å; H266-H290 AromaticContact CE1-NE2 3.24Å; H266-H290 PolarHBondContact CE1-NE2 3Å; H266-H290 AromaticContact NE2-NE2 3.56Å; E288-H290 PolarHBondContact O-CE1 2.92Å; E288-H290 PolarHBondContact O-ND1 3.07Å; H290-Y294 HydrophobicContact CB-CD1 4.2Å; H290-Y294 HydrophobicContact CB-CD2 4.48Å; H290-Y294 HydrophobicContact CB-CG 3.9Å; H290-Y294 AromaticContact CD2-CD2 3.58Å; H290-Y294 AromaticContact CD2-CE2 3.7Å; H290-Y294 AromaticContact CD2-CG 3.77Å
291D71.2Confident74.9Confident149 Ų14996 Ų9680%0.79747%0.471SS*.PPolyproline II helixtrans-61.7157.5176.3-87.4-51.8000112.8E293 Y294D291-E293 PolarHBondContact O-N 3.41Å; D291-Y294 VanDerWaalsContact O-CB 3.27Å; D291-Y294 WeakPolarHBondContact O-CB 3.32Å; D291-Y294 PolarHBondContact O-N 2.68Å
292Y61.7Low74.7Confident232 Ų232102.4 Ų102.491%0.9149%0.492SS*.THydrogen-bonded Turntrans-59.4-20.2-174.8-176.7-105000114.5Y294Y292-Y294 VanDerWaalsContact C-N 3.33Å
293E68.8Low74.6Confident178 Ų17896.2 Ų96.283%0.83247%0.47SS*.THydrogen-bonded Turntrans-86.81.8178.4-59-174.417200113.4D291 C295D291-E293 PolarHBondContact O-N 3.41Å; E293-C295 PolarHBondContact O-N 2.65Å
294Y75.3Confident74.6Confident79 Ų7997.2 Ų97.231%0.3147%0.474SS..  trans-73.1108.4-177-178.2-99.8000113.8H266 H290 D291 Y292 C296 P297H266-Y294 AromaticContact CD2-CE1 3.85Å; H266-Y294 AromaticContact CD2-CZ 3.76Å; H266-Y294 PolarHBondContact CD2-OH 3.16Å; H266-Y294 AromaticContact NE2-CE1 3.87Å; H266-Y294 AromaticContact NE2-CZ 3.44Å; H266-Y294 PolarHBondContact NE2-OH 3.21Å; H290-Y294 HydrophobicContact CB-CD1 4.2Å; H290-Y294 HydrophobicContact CB-CD2 4.48Å; H290-Y294 HydrophobicContact CB-CG 3.9Å; H290-Y294 AromaticContact CD2-CD2 3.58Å; H290-Y294 AromaticContact CD2-CE2 3.7Å; H290-Y294 AromaticContact CD2-CG 3.77Å; D291-Y294 VanDerWaalsContact O-CB 3.27Å; D291-Y294 WeakPolarHBondContact O-CB 3.32Å; D291-Y294 PolarHBondContact O-N 2.68Å; Y292-Y294 VanDerWaalsContact C-N 3.33Å; Y294-C296 HydrophobicContact CE1-CB 4.31Å; Y294-P297 WeakPolarHBondContact OH-CD 3.5Å
295C70.9Confident74.7Confident112 Ų11296.3 Ų96.376%0.75747%0.466SS*.  trans-85.8114.3172-69.60000111.8E293E293-C295 PolarHBondContact O-N 2.65Å
296C78.4Confident75Confident18 Ų1891.7 Ų91.712%0.12245%0.449CS..  trans-62.4125.1-179.9173.50000112.6H260 Y294 C298 H301H260-C296 VanDerWaalsContact CD2-SG 3.53Å; H260-C296 PolarHBondContact NE2-SG 3.03Å; H260-C296 VanDerWaalsContact NE2-SG 3.4Å; Y294-C296 HydrophobicContact CE1-CB 4.31Å; C296-C298 PolarHBondContact O-N 3.24Å; C296-C298 VanDerWaalsContact O-N 3.1Å; C296-C298 VanDerWaalsContact SG-SG 3.67Å; C296-H301 WeakPolarHBondContact O-CB 3.41Å
297P76Confident75.5Confident55 Ų5589.1 Ų89.136%0.35744%0.438SS..  trans-81.615.4-171.434.3-39.5000114.8L280 Y294 R302L280-P297 HydrophobicContact CD1-CG 4.25Å; Y294-P297 WeakPolarHBondContact OH-CD 3.5Å; P297-R302 PolarHBondContact O-NE 3.32Å; P297-R302 PolarHBondContact O-NH1 3.01Å; P297-R302 VanDerWaalsContact O-NH1 3.1Å; P297-R302 PolarHBondContact O-NH2 3.14Å
298C80.6Confident75.3Confident11 Ų1192.5 Ų92.57%0.07445%0.451CS..SBendtrans-79.9151.4-176.779.50000112.1H260 P267 C296 W300 H301 R302H260-C298 PolarHBondContact NE2-SG 3.32Å; P267-C298 HydrophobicContact CG-CB 3.56Å; C296-C298 PolarHBondContact O-N 3.24Å; C296-C298 VanDerWaalsContact O-N 3.1Å; C296-C298 VanDerWaalsContact SG-SG 3.67Å; C298-W300 PolarHBondContact O-N 3.21Å; C298-W300 VanDerWaalsContact O-N 3.12Å; C298-H301 PolarHBondContact O-N 2.85Å; C298-H301 PolarHBondContact SG-N 2.77Å; C298-H301 PolarHBondContact SG-ND1 3.11Å; C298-R302 WeakPolarHBondContact O-CG 3.46Å; C298-R302 PolarHBondContact O-N 3.41Å
299D77.9Confident75.2Confident94 Ų9489.7 Ų89.750%0.50344%0.44SS..Hα-helixtrans-62.5-25.2-174.5-58.9-58000113.9R302 T303D299-R302 IonicContact OD1-CZ 3.35Å; D299-R302 IonicContact OD1-NE 2.62Å; D299-R302 PolarHBondContact OD1-NE 3.11Å; D299-R302 VanDerWaalsContact OD1-NE 3.16Å; D299-R302 IonicContact OD1-NH2 2.7Å; D299-R302 PolarHBondContact OD1-NH2 3.1Å; D299-R302 IonicContact OD2-NH2 3.19Å; D299-T303 WeakPolarHBondContact O-CB 3.36Å; D299-T303 WeakPolarHBondContact O-CG2 3.48Å; D299-T303 PolarHBondContact O-N 3.34Å; D299-T303 PolarHBondContact O-OG1 2.86Å
300W79.7Confident75.3Confident25 Ų2588.4 Ų88.410%0.09543%0.427CS..Hα-helixtrans-66.8-48.8172-167.780.3000111.7T255 K257 C298 T303 E304T255-W300 HydrophobicContact CG2-CB 4.45Å; T255-W300 VanDerWaalsContact O-CD1 3.29Å; K257-W300 HydrophobicContact CB-CD2 4.17Å; K257-W300 HydrophobicContact CB-CG 4.43Å; K257-W300 HydrophobicContact CB-CZ2 4.15Å; K257-W300 HydrophobicContact CD-CD2 4.47Å; K257-W300 HydrophobicContact CD-CE3 4.49Å; K257-W300 HydrophobicContact CD-CH2 3.73Å; K257-W300 HydrophobicContact CD-CZ2 3.63Å; K257-W300 HydrophobicContact CD-CZ3 4.14Å; K257-W300 HydrophobicContact CG-CD2 3.86Å; K257-W300 HydrophobicContact CG-CE3 4.12Å; K257-W300 HydrophobicContact CG-CG 4.48Å; K257-W300 HydrophobicContact CG-CH2 4.19Å; K257-W300 HydrophobicContact CG-CZ2 3.88Å; K257-W300 HydrophobicContact CG-CZ3 4.28Å; C298-W300 PolarHBondContact O-N 3.21Å; C298-W300 VanDerWaalsContact O-N 3.12Å; W300-T303 PolarHBondContact O-N 3.43Å; W300-E304 HydrophobicContact CH2-CG 4.23Å; W300-E304 VanDerWaalsContact CH2-OE2 3.3Å; W300-E304 WeakPolarHBondContact CH2-OE2 3.5Å; W300-E304 WeakPolarHBondContact CZ2-OE2 3.34Å; W300-E304 HydrophobicContact CZ3-CG 4.34Å; W300-E304 WeakPolarHBondContact O-CA 3.42Å; W300-E304 WeakPolarHBondContact O-CB 3.49Å; W300-E304 PolarHBondContact O-N 2.92Å
301H76.5Confident75.6Confident76 Ų7689.5 Ų89.535%0.35243%0.432SS..Hα-helixtrans-71.8-34.9177.2-75.5122.4000112.4H260 C296 C298 T303 E304H260-H301 AromaticContact CD2-CE1 3.8Å; H260-H301 AromaticContact CD2-ND1 3.98Å; H260-H301 AromaticContact CE1-CE1 3.43Å; H260-H301 PolarHBondContact CE1-CE1 2.97Å; H260-H301 VanDerWaalsContact CE1-CE1 3.43Å; H260-H301 AromaticContact CE1-ND1 3.64Å; H260-H301 AromaticContact ND1-CE1 3.92Å; H260-H301 AromaticContact NE2-CE1 3.33Å; H260-H301 PolarHBondContact NE2-CE1 3.25Å; H260-H301 VanDerWaalsContact NE2-CE1 3.33Å; H260-H301 AromaticContact NE2-ND1 3.23Å; H260-H301 PolarHBondContact NE2-ND1 3.22Å; C296-H301 WeakPolarHBondContact O-CB 3.41Å; C298-H301 PolarHBondContact O-N 2.85Å; C298-H301 PolarHBondContact SG-N 2.77Å; C298-H301 PolarHBondContact SG-ND1 3.11Å; H301-T303 VanDerWaalsContact C-N 3.28Å; H301-T303 PolarHBondContact O-N 2.98Å; H301-E304 PolarHBondContact O-N 2.87Å
302R76.7Confident76Confident156 Ų15684.5 Ų84.559%0.58941%0.407SS*.Hα-helixtrans-61.7-34.8173-70.5-163.4-79.7-132.23.1112.8P297 C298 D299P297-R302 PolarHBondContact O-NE 3.32Å; P297-R302 PolarHBondContact O-NH1 3.01Å; P297-R302 VanDerWaalsContact O-NH1 3.1Å; P297-R302 PolarHBondContact O-NH2 3.14Å; C298-R302 WeakPolarHBondContact O-CG 3.46Å; C298-R302 PolarHBondContact O-N 3.41Å; D299-R302 IonicContact OD1-CZ 3.35Å; D299-R302 IonicContact OD1-NE 2.62Å; D299-R302 PolarHBondContact OD1-NE 3.11Å; D299-R302 VanDerWaalsContact OD1-NE 3.16Å; D299-R302 IonicContact OD1-NH2 2.7Å; D299-R302 PolarHBondContact OD1-NH2 3.1Å; D299-R302 IonicContact OD2-NH2 3.19Å
303T77.6Confident77Confident63 Ų6374 Ų7439%0.38737%0.366SS..Hα-helixtrans-98.7-2.4178.359.50000114D299 W300 H301 H305 D306 R307D299-T303 WeakPolarHBondContact O-CB 3.36Å; D299-T303 WeakPolarHBondContact O-CG2 3.48Å; D299-T303 PolarHBondContact O-N 3.34Å; D299-T303 PolarHBondContact O-OG1 2.86Å; W300-T303 PolarHBondContact O-N 3.43Å; H301-T303 VanDerWaalsContact C-N 3.28Å; H301-T303 PolarHBondContact O-N 2.98Å; T303-H305 VanDerWaalsContact C-N 3.34Å; T303-H305 PolarHBondContact O-N 2.85Å; T303-D306 PolarHBondContact O-N 3.43Å; T303-R307 WeakPolarHBondContact O-CB 3.48Å; T303-R307 PolarHBondContact O-N 3.04Å
304E78Confident77.7Confident30 Ų3069.9 Ų69.914%0.1435%0.35CS..Hα-helixtrans-60.3-39.9-175.6175.357.8-167.800112.8W300 H301 R307 Q308W300-E304 HydrophobicContact CH2-CG 4.23Å; W300-E304 VanDerWaalsContact CH2-OE2 3.3Å; W300-E304 WeakPolarHBondContact CH2-OE2 3.5Å; W300-E304 WeakPolarHBondContact CZ2-OE2 3.34Å; W300-E304 HydrophobicContact CZ3-CG 4.34Å; W300-E304 WeakPolarHBondContact O-CA 3.42Å; W300-E304 WeakPolarHBondContact O-CB 3.49Å; W300-E304 PolarHBondContact O-N 2.92Å; H301-E304 PolarHBondContact O-N 2.87Å; E304-R307 VanDerWaalsContact CD-NH2 3.33Å; E304-R307 WeakPolarHBondContact O-CB 3.32Å; E304-R307 PolarHBondContact O-N 3.36Å; E304-R307 IonicContact OE1-CZ 2.75Å; E304-R307 IonicContact OE1-NE 3.57Å; E304-R307 IonicContact OE1-NH2 3.72Å; E304-R307 PolarHBondContact OE1-NH2 2.95Å; E304-R307 IonicContact OE2-CZ 2.81Å; E304-R307 VanDerWaalsContact OE2-CZ 3.31Å; E304-R307 IonicContact OE2-NE 3.73Å; E304-R307 PolarHBondContact OE2-NE 2.85Å; E304-R307 IonicContact OE2-NH2 2.65Å; E304-R307 PolarHBondContact OE2-NH2 3.24Å; E304-R307 VanDerWaalsContact OE2-NH2 3.11Å; E304-Q308 VanDerWaalsContact O-CG 3.32Å; E304-Q308 WeakPolarHBondContact O-CG 3.32Å; E304-Q308 PolarHBondContact O-N 3.35Å; E304-Q308 PolarHBondContact OE1-NE2 3.49Å
305H73.1Confident78.1Confident116 Ų11670 Ų7054%0.53736%0.356SS..Hα-helixtrans-58.7-54.6173.9174.3-93.2000111.2T303 R307 Q308 L309T303-H305 VanDerWaalsContact C-N 3.34Å; T303-H305 PolarHBondContact O-N 2.85Å; H305-R307 PolarHBondContact O-N 3.04Å; H305-Q308 WeakPolarHBondContact O-CB 3.23Å; H305-Q308 PolarHBondContact O-N 3.36Å; H305-Q308 VanDerWaalsContact O-N 3.12Å; H305-L309 VanDerWaalsContact CE1-CD1 3.4Å; H305-L309 WeakPolarHBondContact CE1-CD1 3.41Å; H305-L309 WeakPolarHBondContact O-CG 3.41Å; H305-L309 PolarHBondContact O-N 2.8Å
306D74.5Confident78.7Confident76 Ų7664.8 Ų64.841%0.40632%0.32SS..Hα-helixtrans-67.3-28.4-179.2-66.6-10.9000111.5T303 L309 N310T303-D306 PolarHBondContact O-N 3.43Å; D306-L309 PolarHBondContact O-N 3.32Å; D306-N310 WeakPolarHBondContact O-CB 3.36Å; D306-N310 PolarHBondContact O-N 3.49Å; D306-N310 PolarHBondContact O-ND2 2.89Å
307R79.8Confident79Confident95 Ų9565.6 Ų65.636%0.35832%0.322SS..Hα-helixtrans-65.5-44.7171.4-165-163.265.464.99.1111.2T303 E304 H305 N310 E311T303-R307 WeakPolarHBondContact O-CB 3.48Å; T303-R307 PolarHBondContact O-N 3.04Å; E304-R307 VanDerWaalsContact CD-NH2 3.33Å; E304-R307 WeakPolarHBondContact O-CB 3.32Å; E304-R307 PolarHBondContact O-N 3.36Å; E304-R307 IonicContact OE1-CZ 2.75Å; E304-R307 IonicContact OE1-NE 3.57Å; E304-R307 IonicContact OE1-NH2 3.72Å; E304-R307 PolarHBondContact OE1-NH2 2.95Å; E304-R307 IonicContact OE2-CZ 2.81Å; E304-R307 VanDerWaalsContact OE2-CZ 3.31Å; E304-R307 IonicContact OE2-NE 3.73Å; E304-R307 PolarHBondContact OE2-NE 2.85Å; E304-R307 IonicContact OE2-NH2 2.65Å; E304-R307 PolarHBondContact OE2-NH2 3.24Å; E304-R307 VanDerWaalsContact OE2-NH2 3.11Å; H305-R307 PolarHBondContact O-N 3.04Å; R307-N310 PolarHBondContact O-N 3.02Å; R307-E311 IonicContact CZ-OE2 3.17Å; R307-E311 IonicContact NH1-OE2 2.89Å; R307-E311 PolarHBondContact NH1-OE2 3.12Å; R307-E311 IonicContact NH2-OE2 3.24Å; R307-E311 VanDerWaalsContact O-CB 3.29Å; R307-E311 WeakPolarHBondContact O-CB 3.21Å; R307-E311 PolarHBondContact O-N 3.12Å
308Q76.8Confident79.5Confident99 Ų9970.8 Ų70.846%0.46334%0.339SS..Hα-helixtrans-63.7-41174.6-71.4174.518.100111.7E304 H305 E311 V312E304-Q308 VanDerWaalsContact O-CG 3.32Å; E304-Q308 WeakPolarHBondContact O-CG 3.32Å; E304-Q308 PolarHBondContact O-N 3.35Å; E304-Q308 PolarHBondContact OE1-NE2 3.49Å; H305-Q308 WeakPolarHBondContact O-CB 3.23Å; H305-Q308 PolarHBondContact O-N 3.36Å; H305-Q308 VanDerWaalsContact O-N 3.12Å; Q308-E311 PolarHBondContact O-N 3.4Å; Q308-V312 WeakPolarHBondContact O-CG2 3.43Å; Q308-V312 PolarHBondContact O-N 3.31Å
309L73.1Confident79.7Confident45 Ų4573 Ų7324%0.23635%0.347CS..Hα-helixtrans-61-49.7173.9-67.6-167.9000111.8I228 H305 D306 E311 V312 E313I228-L309 HydrophobicContact CD1-CB 3.97Å; I228-L309 HydrophobicContact CD1-CD2 4.06Å; I228-L309 HydrophobicContact CD1-CG 4.49Å; I228-L309 WeakPolarHBondContact CD1-O 3.48Å; I228-L309 HydrophobicContact CG1-CB 3.87Å; I228-L309 HydrophobicContact CG1-CD1 4.05Å; I228-L309 HydrophobicContact CG1-CD2 3.73Å; I228-L309 HydrophobicContact CG1-CG 4.06Å; H305-L309 VanDerWaalsContact CE1-CD1 3.4Å; H305-L309 WeakPolarHBondContact CE1-CD1 3.41Å; H305-L309 WeakPolarHBondContact O-CG 3.41Å; H305-L309 PolarHBondContact O-N 2.8Å; D306-L309 PolarHBondContact O-N 3.32Å; L309-E311 VanDerWaalsContact C-N 3.26Å; L309-E311 PolarHBondContact O-N 3.4Å; L309-V312 PolarHBondContact O-N 3.22Å; L309-E313 PolarHBondContact O-N 2.85Å
310N79.6Confident80.1Confident79 Ų7968.5 Ų68.542%0.42232%0.323SS..Hα-helixtrans-62.4-32.3175.2-77.7-63.2000112.3D306 R307 E313 N314D306-N310 WeakPolarHBondContact O-CB 3.36Å; D306-N310 PolarHBondContact O-N 3.49Å; D306-N310 PolarHBondContact O-ND2 2.89Å; R307-N310 PolarHBondContact O-N 3.02Å; N310-E313 PolarHBondContact O-N 2.9Å; N310-N314 WeakPolarHBondContact O-CB 3.38Å; N310-N314 PolarHBondContact O-N 3.35Å; N310-N314 PolarHBondContact O-ND2 3Å
311E80.4Confident80.2Confident92 Ų9269.6 Ų69.643%0.4333%0.334SS..Hα-helixtrans-68.9-40.5175.5-174.4172.2176.300111.6R307 Q308 L309 N315R307-E311 IonicContact CZ-OE2 3.17Å; R307-E311 IonicContact NH1-OE2 2.89Å; R307-E311 PolarHBondContact NH1-OE2 3.12Å; R307-E311 IonicContact NH2-OE2 3.24Å; R307-E311 VanDerWaalsContact O-CB 3.29Å; R307-E311 WeakPolarHBondContact O-CB 3.21Å; R307-E311 PolarHBondContact O-N 3.12Å; Q308-E311 PolarHBondContact O-N 3.4Å; L309-E311 VanDerWaalsContact C-N 3.26Å; L309-E311 PolarHBondContact O-N 3.4Å; E311-N315 WeakPolarHBondContact O-CB 3.47Å; E311-N315 PolarHBondContact O-N 3.19Å; E311-N315 PolarHBondContact O-ND2 3Å
312V80.1Confident80.6Confident44 Ų4470.2 Ų70.227%0.26735%0.347SS..Hα-helixtrans-61.5-47.4170.5172.40000110.7K224 I228 Q308 L309 N315 M316K224-V312 HydrophobicContact CB-CG1 4.33Å; I228-V312 HydrophobicContact CD1-CB 4.28Å; I228-V312 HydrophobicContact CD1-CG1 4.28Å; Q308-V312 WeakPolarHBondContact O-CG2 3.43Å; Q308-V312 PolarHBondContact O-N 3.31Å; L309-V312 PolarHBondContact O-N 3.22Å; V312-N315 PolarHBondContact O-N 2.94Å; V312-M316 HydrophobicContact CG1-SD 4.19Å; V312-M316 WeakPolarHBondContact O-CG 3.4Å; V312-M316 PolarHBondContact O-N 3.33Å
313E83.5Confident80.9Confident12 Ų1264 Ų646%0.05633%0.327CS..Hα-helixtrans-60.3-49.1179.1-163.8-165.8152.400111.7L225 R237 W241 L309 N310 N315 M316 K317L225-E313 HydrophobicContact CD1-CB 4.48Å; L225-E313 HydrophobicContact CD1-CG 3.88Å; R237-E313 IonicContact CZ-OE1 2.64Å; R237-E313 VanDerWaalsContact CZ-OE1 3.24Å; R237-E313 IonicContact CZ-OE2 2.69Å; R237-E313 IonicContact NE-OE1 2.64Å; R237-E313 PolarHBondContact NE-OE1 3.04Å; R237-E313 IonicContact NE-OE2 2.69Å; R237-E313 IonicContact NH2-OE1 2.65Å; R237-E313 PolarHBondContact NH2-OE1 3.19Å; R237-E313 IonicContact NH2-OE2 2.8Å; R237-E313 PolarHBondContact NH2-OE2 3.46Å; W241-E313 HydrophobicContact CZ2-CG 3.63Å; W241-E313 PolarHBondContact NE1-OE1 3.28Å; L309-E313 PolarHBondContact O-N 2.85Å; N310-E313 PolarHBondContact O-N 2.9Å; E313-N315 VanDerWaalsContact C-N 3.33Å; E313-N315 PolarHBondContact O-N 3.35Å; E313-M316 PolarHBondContact O-N 2.77Å; E313-M316 VanDerWaalsContact O-N 3.11Å; E313-K317 PolarHBondContact O-N 3.47Å
314N83.1Confident80.9Confident91 Ų9169.9 Ų69.949%0.48735%0.35SS..Hα-helixtrans-64.3-36.4-179.4-79-61.7000112.6N310 M316 K318N310-N314 WeakPolarHBondContact O-CB 3.38Å; N310-N314 PolarHBondContact O-N 3.35Å; N310-N314 PolarHBondContact O-ND2 3Å; N314-M316 VanDerWaalsContact C-N 3.34Å; N314-K318 WeakPolarHBondContact O-CB 3.41Å; N314-K318 PolarHBondContact O-N 3.48Å
315N84.1Confident81Confident82 Ų8271.4 Ų71.444%0.43937%0.373SS..Hα-helixtrans-65.9-36.4173.3-81.8-58000112.1E311 V312 E313 K319E311-N315 WeakPolarHBondContact O-CB 3.47Å; E311-N315 PolarHBondContact O-N 3.19Å; E311-N315 PolarHBondContact O-ND2 3Å; V312-N315 PolarHBondContact O-N 2.94Å; E313-N315 VanDerWaalsContact C-N 3.33Å; E313-N315 PolarHBondContact O-N 3.35Å; N315-K319 WeakPolarHBondContact O-CG 3.37Å; N315-K319 PolarHBondContact O-N 3.27Å
316M83.3Confident81.5Confident2 Ų266.6 Ų66.61%0.0135%0.351CS..Hα-helixtrans-72.2-43.7174.3-70.2-177.168.800112.2L204 V217 Q221 L225 W241 V312 E313 N314 K318 K319 A320L204-M316 HydrophobicContact CD1-CE 3.89Å; L204-M316 HydrophobicContact CD2-CE 4.13Å; V217-M316 HydrophobicContact CG1-CE 3.72Å; V217-M316 HydrophobicContact CG2-CE 4.21Å; V217-M316 HydrophobicContact CG2-CG 4.47Å; Q221-M316 HydrophobicContact CB-CE 4.4Å; Q221-M316 HydrophobicContact CB-SD 4Å; Q221-M316 VanDerWaalsContact O-SD 3.34Å; L225-M316 HydrophobicContact CB-CE 4Å; L225-M316 HydrophobicContact CB-SD 3.82Å; L225-M316 HydrophobicContact CD2-CE 3.61Å; L225-M316 HydrophobicContact CD2-SD 4.13Å; L225-M316 HydrophobicContact CG-CE 4.43Å; L225-M316 HydrophobicContact CG-SD 4.47Å; W241-M316 HydrophobicContact CH2-CB 4.03Å; V312-M316 HydrophobicContact CG1-SD 4.19Å; V312-M316 WeakPolarHBondContact O-CG 3.4Å; V312-M316 PolarHBondContact O-N 3.33Å; E313-M316 PolarHBondContact O-N 2.77Å; E313-M316 VanDerWaalsContact O-N 3.11Å; N314-M316 VanDerWaalsContact C-N 3.34Å; M316-K318 VanDerWaalsContact C-N 3.3Å; M316-K318 PolarHBondContact O-N 3.49Å; M316-K319 PolarHBondContact O-N 3.25Å; M316-A320 WeakPolarHBondContact O-CB 3.1Å; M316-A320 PolarHBondContact O-N 2.98Å
317K85.2Confident81.8Confident35 Ų3563 Ų6315%0.15233%0.332CS..Hα-helixtrans-54.2-46.4171.9-179.9-178.3174.7-167.40111.1W241 T244 E313 K319 A320 C321W241-K317 HydrophobicContact CB-CD 4.25Å; W241-K317 HydrophobicContact CB-CG 4.03Å; W241-K317 HydrophobicContact CD2-CB 3.8Å; W241-K317 HydrophobicContact CD2-CD 4.48Å; W241-K317 HydrophobicContact CD2-CG 3.87Å; W241-K317 HydrophobicContact CE3-CB 4.1Å; W241-K317 HydrophobicContact CE3-CG 4.3Å; W241-K317 HydrophobicContact CG-CB 4.17Å; W241-K317 HydrophobicContact CG-CD 3.94Å; W241-K317 HydrophobicContact CG-CG 3.74Å; W241-K317 HydrophobicContact CZ2-CB 4.28Å; W241-K317 HydrophobicContact CZ3-CB 4.45Å; W241-K317 WeakPolarHBondContact O-CE 3.44Å; T244-K317 PolarHBondContact O-NZ 3.4Å; E313-K317 PolarHBondContact O-N 3.47Å; K317-K319 PolarHBondContact O-N 3Å; K317-A320 PolarHBondContact O-N 3.35Å; K317-C321 WeakPolarHBondContact O-CB 3.44Å; K317-C321 PolarHBondContact O-N 3.33Å; K317-C321 PolarHBondContact O-SG 2.85Å; K317-C321 VanDerWaalsContact O-SG 3.41Å
318K85.3Confident82.1Confident163 Ų16360 Ų6071%0.70932%0.322SS*.Hα-helixtrans-61.1-40179-175.4174.4176178.60112.8N314 M316 S322N314-K318 WeakPolarHBondContact O-CB 3.41Å; N314-K318 PolarHBondContact O-N 3.48Å; M316-K318 VanDerWaalsContact C-N 3.3Å; M316-K318 PolarHBondContact O-N 3.49Å; K318-S322 WeakPolarHBondContact O-CB 3.46Å; K318-S322 PolarHBondContact O-N 2.82Å; K318-S322 PolarHBondContact O-OG 3.39Å
319K86.1Confident82.6Confident57 Ų5759.9 Ų59.925%0.24832%0.321CS..Hα-helixtrans-67.3-48.5173.8-66.6169.8-172.9178.40111.3V214 G216 V217 N315 M316 K317 S322 C323V214-K319 HydrophobicContact CG1-CB 3.71Å; G216-K319 PolarHBondContact O-NZ 2.9Å; V217-K319 HydrophobicContact CG2-CD 3.87Å; N315-K319 WeakPolarHBondContact O-CG 3.37Å; N315-K319 PolarHBondContact O-N 3.27Å; M316-K319 PolarHBondContact O-N 3.25Å; K317-K319 PolarHBondContact O-N 3Å; K319-S322 PolarHBondContact O-N 3.28Å; K319-S322 VanDerWaalsContact O-N 3.15Å; K319-S322 PolarHBondContact O-OG 3.21Å; K319-C323 PolarHBondContact O-SG 3.26Å
320A85.4Confident83.4Confident0 Ų064.2 Ų64.20%034%0.34CS..Hα-helixtrans-61.4-51.2-177.800000112.6V214 W241 M316 K317 S322 C323 F326V214-A320 HydrophobicContact CG1-CB 4.37Å; V214-A320 HydrophobicContact CG2-CB 4.44Å; W241-A320 HydrophobicContact CE3-CB 4.02Å; W241-A320 HydrophobicContact CZ3-CB 3.85Å; M316-A320 WeakPolarHBondContact O-CB 3.1Å; M316-A320 PolarHBondContact O-N 2.98Å; K317-A320 PolarHBondContact O-N 3.35Å; A320-S322 PolarHBondContact O-N 2.61Å; A320-C323 WeakPolarHBondContact O-CB 3.5Å; A320-C323 PolarHBondContact O-N 3.26Å; A320-F326 HydrophobicContact CB-CD1 4.23Å; A320-F326 HydrophobicContact CB-CD2 3.96Å; A320-F326 HydrophobicContact CB-CE1 3.95Å; A320-F326 HydrophobicContact CB-CE2 3.67Å; A320-F326 HydrophobicContact CB-CG 4.24Å; A320-F326 HydrophobicContact CB-CZ 3.66Å; A320-F326 WeakPolarHBondContact O-CB 3.45Å; A320-F326 WeakPolarHBondContact O-CG 3.27Å
321C82.5Confident84Confident49 Ų4960.9 Ų60.933%0.33132%0.322SS..THydrogen-bonded Turntrans-69.1-9.1176.2-61.80000113.9K317 C323K317-C321 WeakPolarHBondContact O-CB 3.44Å; K317-C321 PolarHBondContact O-N 3.33Å; K317-C321 PolarHBondContact O-SG 2.85Å; K317-C321 VanDerWaalsContact O-SG 3.41Å; C321-C323 VanDerWaalsContact C-N 3.33Å
322S84.1Confident84.5Confident88 Ų8857.3 Ų57.362%0.61531%0.306SS*.THydrogen-bonded Turntrans-86.9-2.7169.5740000113.5K318 K319 A320K318-S322 WeakPolarHBondContact O-CB 3.46Å; K318-S322 PolarHBondContact O-N 2.82Å; K318-S322 PolarHBondContact O-OG 3.39Å; K319-S322 PolarHBondContact O-N 3.28Å; K319-S322 VanDerWaalsContact O-N 3.15Å; K319-S322 PolarHBondContact O-OG 3.21Å; A320-S322 PolarHBondContact O-N 2.61Å
323C82.5Confident85Confident25 Ų2560.6 Ų60.617%0.16932%0.318CS..SBendtrans-93.8123.5173.8-61.80000110.4P215 K319 A320 C321 G325 F326 F328P215-C323 WeakPolarHBondContact CD-SG 3.41Å; K319-C323 PolarHBondContact O-SG 3.26Å; A320-C323 WeakPolarHBondContact O-CB 3.5Å; A320-C323 PolarHBondContact O-N 3.26Å; C321-C323 VanDerWaalsContact C-N 3.33Å; C323-G325 PolarHBondContact O-N 3.31Å; C323-F326 HydrophobicContact CB-CB 4.35Å; C323-F326 WeakPolarHBondContact O-CB 3.2Å; C323-F326 PolarHBondContact O-N 2.78Å; C323-F328 HydrophobicContact CB-CZ 3.92Å
324E79.2Confident85.5Confident188 Ų18861 Ų6188%0.87932%0.32SS*.THydrogen-bonded Turntrans-55.8131.5172.4-65175.4-178.900110.6F326 F328E324-F326 VanDerWaalsContact C-N 3.34Å; E324-F326 PolarHBondContact O-N 2.89Å; E324-F328 WeakPolarHBondContact O-CE1 3.17Å
325G78.8Confident86Confident61 Ų6156.7 Ų56.763%0.62930%0.297SS*.THydrogen-bonded Turntrans80.3-2178.300000116.5C323 F328C323-G325 PolarHBondContact O-N 3.31Å; G325-F328 WeakPolarHBondContact O-CA 3.3Å; G325-F328 PolarHBondContact O-N 3.28Å
326F83.6Confident86.5Confident15 Ų1556.4 Ų56.47%0.06630%0.295CS..THydrogen-bonded Turntrans-56134.7172.2-176.7-90.6000110.6I203 V214 F238 W241 A320 C323 E324 F328I203-F326 HydrophobicContact CG2-CE2 4.15Å; V214-F326 HydrophobicContact CG2-CD2 4.48Å; V214-F326 HydrophobicContact CG2-CE2 4.44Å; F238-F326 HydrophobicContact CB-CE1 3.94Å; F238-F326 HydrophobicContact CB-CZ 3.63Å; F238-F326 AromaticContact CD1-CZ 3.82Å; F238-F326 HydrophobicContact CD1-CZ 3.82Å; F238-F326 HydrophobicContact CD2-CE2 4.26Å; F238-F326 AromaticContact CD2-CZ 3.92Å; F238-F326 HydrophobicContact CD2-CZ 3.92Å; F238-F326 HydrophobicContact CE1-CZ 4.46Å; F238-F326 HydrophobicContact CG-CE1 4.32Å; F238-F326 HydrophobicContact CG-CE2 4.31Å; F238-F326 AromaticContact CG-CZ 3.53Å; F238-F326 HydrophobicContact CG-CZ 3.53Å; W241-F326 HydrophobicContact CE3-CE1 4.14Å; W241-F326 HydrophobicContact CE3-CZ 4.03Å; W241-F326 HydrophobicContact CZ3-CZ 4.34Å; A320-F326 HydrophobicContact CB-CD1 4.23Å; A320-F326 HydrophobicContact CB-CD2 3.96Å; A320-F326 HydrophobicContact CB-CE1 3.95Å; A320-F326 HydrophobicContact CB-CE2 3.67Å; A320-F326 HydrophobicContact CB-CG 4.24Å; A320-F326 HydrophobicContact CB-CZ 3.66Å; A320-F326 WeakPolarHBondContact O-CB 3.45Å; A320-F326 WeakPolarHBondContact O-CG 3.27Å; C323-F326 HydrophobicContact CB-CB 4.35Å; C323-F326 WeakPolarHBondContact O-CB 3.2Å; C323-F326 PolarHBondContact O-N 2.78Å; E324-F326 VanDerWaalsContact C-N 3.34Å; E324-F326 PolarHBondContact O-N 2.89Å; F326-F328 HydrophobicContact CB-CE2 4.28Å; F326-F328 HydrophobicContact CB-CZ 4.43Å; F326-F328 HydrophobicContact CD2-CD2 4.1Å; F326-F328 AromaticContact CD2-CE2 3.78Å; F326-F328 HydrophobicContact CD2-CE2 3.78Å
327P80.9Confident86.9Confident0 Ų061 Ų610%032%0.32CS..THydrogen-bonded Turncis-88.42113.337.7-39.8000116.5F238 I332F238-P327 HydrophobicContact CB-CB 3.87Å; P327-I332 HydrophobicContact CB-CD1 4.27Å; P327-I332 HydrophobicContact CG-CD1 4.48Å; P327-I332 VanDerWaalsContact O-CD1 3.3Å; P327-I332 WeakPolarHBondContact O-CD1 3.21Å
328F86.6Confident87.3Confident34 Ų3463.8 Ų63.815%0.14934%0.336CS..  trans60.855.6178.8-46.2-76.6000113.1I203 L210 C323 E324 G325 F326 E330 V331 I332I203-F328 HydrophobicContact CG2-CD2 3.73Å; I203-F328 HydrophobicContact CG2-CE2 4.15Å; L210-F328 HydrophobicContact CD1-CD1 4.28Å; L210-F328 HydrophobicContact CD1-CE1 4.13Å; L210-F328 HydrophobicContact CD1-CE2 4.49Å; L210-F328 HydrophobicContact CD1-CZ 4.22Å; L210-F328 HydrophobicContact CD2-CD2 3.69Å; L210-F328 HydrophobicContact CD2-CE2 3.7Å; L210-F328 HydrophobicContact CD2-CG 4.18Å; L210-F328 HydrophobicContact CD2-CZ 4.23Å; C323-F328 HydrophobicContact CB-CZ 3.92Å; E324-F328 WeakPolarHBondContact O-CE1 3.17Å; G325-F328 WeakPolarHBondContact O-CA 3.3Å; G325-F328 PolarHBondContact O-N 3.28Å; F326-F328 HydrophobicContact CB-CE2 4.28Å; F326-F328 HydrophobicContact CB-CZ 4.43Å; F326-F328 HydrophobicContact CD2-CD2 4.1Å; F326-F328 AromaticContact CD2-CE2 3.78Å; F326-F328 HydrophobicContact CD2-CE2 3.78Å; F328-E330 PolarHBondContact O-N 3.37Å; F328-V331 HydrophobicContact CB-CB 4.21Å; F328-V331 HydrophobicContact CB-CG2 4.16Å; F328-V331 WeakPolarHBondContact O-CB 3.4Å; F328-V331 PolarHBondContact O-N 2.89Å; F328-I332 PolarHBondContact O-N 2.94Å; F328-I332 VanDerWaalsContact O-N 3.14Å
329H87.7Confident87.6Confident96 Ų9660.3 Ų60.344%0.44432%0.321SS..Hα-helixtrans-49.5-35.7-177.6-66.2106.5000114.6V331 I332 Q333H329-V331 PolarHBondContact O-N 3.23Å; H329-I332 PolarHBondContact O-N 3.16Å; H329-Q333 WeakPolarHBondContact O-CB 3.38Å; H329-Q333 WeakPolarHBondContact O-CG 3.32Å; H329-Q333 PolarHBondContact O-N 3.29Å
330E89.8Confident87.8Confident136 Ų13657.7 Ų57.764%0.63631%0.31SS*.Hα-helixtrans-63.4-39.7177.1-57.5-174.9170.100112.3L81 F328 Q333 E334L81-E330 HydrophobicContact CD1-CB 4.27Å; L81-E330 HydrophobicContact CD2-CB 4.03Å; L81-E330 WeakPolarHBondContact CD2-OE2 3.35Å; F328-E330 PolarHBondContact O-N 3.37Å; E330-Q333 PolarHBondContact O-N 3.22Å; E330-E334 WeakPolarHBondContact O-CB 3.22Å; E330-E334 PolarHBondContact O-N 2.84Å
331V90.9Very high88.2Confident8 Ų865.2 Ų65.25%0.04834%0.342CS..Hα-helixtrans-70.7-39.8176.8177.90000110.7L81 Y209 F328 H329 E334 F335L81-V331 HydrophobicContact CD1-CG2 4.2Å; Y209-V331 HydrophobicContact CD2-CG1 4.31Å; F328-V331 HydrophobicContact CB-CB 4.21Å; F328-V331 HydrophobicContact CB-CG2 4.16Å; F328-V331 WeakPolarHBondContact O-CB 3.4Å; F328-V331 PolarHBondContact O-N 2.89Å; H329-V331 PolarHBondContact O-N 3.23Å; V331-E334 PolarHBondContact O-N 3.03Å; V331-F335 HydrophobicContact CG1-CD2 4.15Å; V331-F335 HydrophobicContact CG1-CE2 3.88Å; V331-F335 VanDerWaalsContact O-CD2 3.29Å; V331-F335 WeakPolarHBondContact O-CD2 2.99Å; V331-F335 PolarHBondContact O-N 3.39Å
332I91.6Very high88.5Confident18 Ų1865.3 Ų65.39%0.09234%0.339CS..Hα-helixtrans-60.8-47173.3-65.8167.7000110.3I203 L235 P327 F328 H329 F335 L336I203-I332 HydrophobicContact CD1-CD1 3.94Å; I203-I332 HydrophobicContact CD1-CG1 3.48Å; I203-I332 VanDerWaalsContact CD1-CG1 3.48Å; L235-I332 HydrophobicContact CD1-CG2 4.17Å; L235-I332 HydrophobicContact CD2-CD1 4.03Å; L235-I332 HydrophobicContact CD2-CG1 4.17Å; P327-I332 HydrophobicContact CB-CD1 4.27Å; P327-I332 HydrophobicContact CG-CD1 4.48Å; P327-I332 VanDerWaalsContact O-CD1 3.3Å; P327-I332 WeakPolarHBondContact O-CD1 3.21Å; F328-I332 PolarHBondContact O-N 2.94Å; F328-I332 VanDerWaalsContact O-N 3.14Å; H329-I332 PolarHBondContact O-N 3.16Å; I332-F335 PolarHBondContact O-N 2.96Å; I332-L336 HydrophobicContact CG2-CD1 3.69Å; I332-L336 HydrophobicContact CG2-CG 4.38Å; I332-L336 WeakPolarHBondContact O-CB 3.18Å; I332-L336 VanDerWaalsContact O-CG 3.31Å; I332-L336 WeakPolarHBondContact O-CG 3.48Å; I332-L336 PolarHBondContact O-N 3.38Å; I332-L336 VanDerWaalsContact O-N 3.09Å
333Q91.8Very high88.6Confident113 Ų11367.8 Ų67.853%0.52835%0.35SS..Hα-helixtrans-67.3-35.3179.8-76.8-178-13.900112.4H329 E330 F335 L336 L337H329-Q333 WeakPolarHBondContact O-CB 3.38Å; H329-Q333 WeakPolarHBondContact O-CG 3.32Å; H329-Q333 PolarHBondContact O-N 3.29Å; E330-Q333 PolarHBondContact O-N 3.22Å; Q333-F335 PolarHBondContact O-N 2.82Å; Q333-L336 PolarHBondContact O-N 3.33Å; Q333-L337 HydrophobicContact CB-CD1 3.96Å; Q333-L337 HydrophobicContact CB-CG 4.36Å; Q333-L337 HydrophobicContact CG-CD1 4.41Å; Q333-L337 VanDerWaalsContact O-CB 3.22Å; Q333-L337 WeakPolarHBondContact O-CB 3.4Å; Q333-L337 VanDerWaalsContact O-CG 3.29Å; Q333-L337 WeakPolarHBondContact O-CG 3.43Å; Q333-L337 PolarHBondContact O-N 3.27Å
334E93.7Very high88.8Confident21 Ų2175 Ų7510%0.09838%0.379CS..Hα-helixtrans-58.5-46.5174.8-173.660.2-13500111.9P79 L81 Y161 Y209 E330 V331 K339P79-E334 HydrophobicContact CB-CG 4.34Å; P79-E334 WeakPolarHBondContact CB-OE2 3.07Å; P79-E334 HydrophobicContact CG-CG 4.35Å; L81-E334 HydrophobicContact CD1-CB 3.94Å; L81-E334 HydrophobicContact CD1-CG 4.29Å; Y161-E334 VanDerWaalsContact CE1-O 3.26Å; Y161-E334 WeakPolarHBondContact CE1-O 3.49Å; Y161-E334 PolarHBondContact OH-OE1 3.07Å; Y209-E334 HydrophobicContact CD2-CB 4.35Å; Y209-E334 HydrophobicContact CD2-CG 3.94Å; Y209-E334 HydrophobicContact CE2-CB 4.27Å; Y209-E334 HydrophobicContact CE2-CG 3.55Å; E330-E334 WeakPolarHBondContact O-CB 3.22Å; E330-E334 PolarHBondContact O-N 2.84Å; V331-E334 PolarHBondContact O-N 3.03Å; E334-K339 IonicContact OE1-NZ 3.45Å; E334-K339 PolarHBondContact OE1-NZ 3.11Å; E334-K339 IonicContact OE2-NZ 3.6Å; E334-K339 PolarHBondContact OE2-NZ 2.78Å
335F93.7Very high89.4Confident0 Ų072.5 Ų72.50%038%0.376CS..Hα-helixtrans-74.9-26.7178.7-72.8-60.3000114.4D157 L160 Y161 R195 V199 C207 Y209 V331 I332 Q333D157-F335 HydrophobicContact CB-CE1 3.97Å; L160-F335 HydrophobicContact CB-CB 4.29Å; L160-F335 HydrophobicContact CB-CD1 3.48Å; L160-F335 VanDerWaalsContact CB-CD1 3.48Å; L160-F335 HydrophobicContact CB-CE1 3.84Å; L160-F335 HydrophobicContact CB-CG 3.87Å; L160-F335 HydrophobicContact CD2-CD1 3.92Å; L160-F335 HydrophobicContact CD2-CD2 4.06Å; L160-F335 HydrophobicContact CD2-CE1 3.55Å; L160-F335 HydrophobicContact CD2-CE2 3.7Å; L160-F335 HydrophobicContact CD2-CG 4.16Å; L160-F335 HydrophobicContact CD2-CZ 3.42Å; L160-F335 VanDerWaalsContact CD2-CZ 3.42Å; L160-F335 HydrophobicContact CG-CD1 4.38Å; L160-F335 HydrophobicContact CG-CE1 4.4Å; Y161-F335 HydrophobicContact CD2-CD1 4.27Å; Y161-F335 HydrophobicContact CE1-CD1 4.46Å; Y161-F335 HydrophobicContact CE2-CD1 4.16Å; Y161-F335 HydrophobicContact CE2-CE1 4.31Å; Y161-F335 HydrophobicContact CG-CD1 4.5Å; R195-F335 PolarHBondContact NH2-O 2.89Å; V199-F335 HydrophobicContact CG1-CD2 4.31Å; V199-F335 HydrophobicContact CG2-CB 4Å; V199-F335 HydrophobicContact CG2-CG 4.44Å; C207-F335 HydrophobicContact CB-CZ 4.49Å; Y209-F335 HydrophobicContact CD2-CD2 4.32Å; Y209-F335 HydrophobicContact CD2-CE1 4.1Å; Y209-F335 AromaticContact CD2-CE2 3.65Å; Y209-F335 HydrophobicContact CD2-CE2 3.65Å; Y209-F335 AromaticContact CD2-CZ 3.52Å; Y209-F335 HydrophobicContact CD2-CZ 3.52Å; Y209-F335 AromaticContact CE2-CD1 3.9Å; Y209-F335 HydrophobicContact CE2-CD1 3.9Å; Y209-F335 HydrophobicContact CE2-CD2 4.25Å; Y209-F335 AromaticContact CE2-CE1 3.34Å; Y209-F335 HydrophobicContact CE2-CE1 3.34Å; Y209-F335 AromaticContact CE2-CE2 3.74Å; Y209-F335 HydrophobicContact CE2-CE2 3.74Å; Y209-F335 HydrophobicContact CE2-CG 4.33Å; Y209-F335 AromaticContact CE2-CZ 3.25Å; Y209-F335 HydrophobicContact CE2-CZ 3.25Å; Y209-F335 AromaticContact CZ-CE1 3.98Å; V331-F335 HydrophobicContact CG1-CD2 4.15Å; V331-F335 HydrophobicContact CG1-CE2 3.88Å; V331-F335 VanDerWaalsContact O-CD2 3.29Å; V331-F335 WeakPolarHBondContact O-CD2 2.99Å; V331-F335 PolarHBondContact O-N 3.39Å; I332-F335 PolarHBondContact O-N 2.96Å; Q333-F335 PolarHBondContact O-N 2.82Å
336L92.9Very high90.2Very high75 Ų7571.7 Ų71.739%0.39336%0.357SS..Hα-helixtrans-96.1-28.5-174.7-65.6-176.6000114.4L235 I332 Q333 N338L235-L336 HydrophobicContact CD1-CD1 4.3Å; I332-L336 HydrophobicContact CG2-CD1 3.69Å; I332-L336 HydrophobicContact CG2-CG 4.38Å; I332-L336 WeakPolarHBondContact O-CB 3.18Å; I332-L336 VanDerWaalsContact O-CG 3.31Å; I332-L336 WeakPolarHBondContact O-CG 3.48Å; I332-L336 PolarHBondContact O-N 3.38Å; I332-L336 VanDerWaalsContact O-N 3.09Å; Q333-L336 PolarHBondContact O-N 3.33Å; L336-N338 PolarHBondContact O-N 3.23Å
337L93.3Very high90.7Very high100 Ų10079.3 Ų79.352%0.52439%0.385SS..SBendtrans-84.3107.9179.9-66.2175.8000111.2Q333 K339Q333-L337 HydrophobicContact CB-CD1 3.96Å; Q333-L337 HydrophobicContact CB-CG 4.36Å; Q333-L337 HydrophobicContact CG-CD1 4.41Å; Q333-L337 VanDerWaalsContact O-CB 3.22Å; Q333-L337 WeakPolarHBondContact O-CB 3.4Å; Q333-L337 VanDerWaalsContact O-CG 3.29Å; Q333-L337 WeakPolarHBondContact O-CG 3.43Å; Q333-L337 PolarHBondContact O-N 3.27Å; L337-K339 PolarHBondContact O-N 2.7Å
338N92Very high91.4Very high93 Ų9382.5 Ų82.550%0.49740%0.398SS..  trans-65.5122.7168.3179.142.9000110.9Y141 L336 D340Y141-N338 VanDerWaalsContact CD2-ND2 3.28Å; Y141-N338 WeakPolarHBondContact CD2-ND2 3.5Å; Y141-N338 VanDerWaalsContact CE2-ND2 3.33Å; Y141-N338 WeakPolarHBondContact CE2-ND2 3.42Å; L336-N338 PolarHBondContact O-N 3.23Å; N338-D340 PolarHBondContact ND2-O 3.43Å; N338-D340 PolarHBondContact OD1-N 2.86Å
339K91.6Very high91.8Very high89 Ų8986.3 Ų86.339%0.38742%0.416SS..  trans-102.9-21.3174.1-61.6167.6-171171.90112A132 E334 L337A132-K339 HydrophobicContact CB-CB 4.2Å; E334-K339 IonicContact OE1-NZ 3.45Å; E334-K339 PolarHBondContact OE1-NZ 3.11Å; E334-K339 IonicContact OE2-NZ 3.6Å; E334-K339 PolarHBondContact OE2-NZ 2.78Å; L337-K339 PolarHBondContact O-N 2.7Å
340D92.3Very high92.2Very high3 Ų385.6 Ų85.62%0.01641%0.409CS..  trans-81.7147.4-168.5-64.1-77.9000112.8A131 A132 A137 M138 Y141 N338A131-D340 WeakPolarHBondContact CA-OD1 3.47Å; A132-D340 PolarHBondContact N-OD1 2.79Å; A137-D340 WeakPolarHBondContact CB-OD2 3.32Å; M138-D340 HydrophobicContact CB-CB 4.33Å; M138-D340 HydrophobicContact SD-CB 3.71Å; Y141-D340 HydrophobicContact CD1-CB 4.27Å; Y141-D340 HydrophobicContact CG-CB 4.31Å; N338-D340 PolarHBondContact ND2-O 3.43Å; N338-D340 PolarHBondContact OD1-N 2.86Å
341K92.2Very high92.5Very high157 Ų15779.6 Ų79.668%0.68338%0.382SS*.  trans-148.7134.7-173.4-60.1-177.8-175.71790110.3V343K341-V343 PolarHBondContact O-N 3.39Å
342L90.3Very high92.8Very high52 Ų5282.5 Ų82.527%0.27240%0.397SS..  trans-75.9111.1168.6-81.9170.9000110.7V129 M138 Y141 L142 H147 I346V129-L342 HydrophobicContact CG1-CD2 3.8Å; M138-L342 HydrophobicContact CE-CD2 3.91Å; M138-L342 HydrophobicContact CE-CG 4.27Å; Y141-L342 HydrophobicContact CE1-CG 4.32Å; L142-L342 HydrophobicContact CD2-CD1 3.92Å; L142-L342 HydrophobicContact CD2-CD2 4.02Å; L142-L342 HydrophobicContact CD2-CG 4.1Å; H147-L342 WeakPolarHBondContact NE2-CD1 3.45Å; L342-I346 HydrophobicContact CD1-CD1 4.25Å; L342-I346 HydrophobicContact CD2-CD1 4.15Å; L342-I346 HydrophobicContact CD2-CG1 4.06Å
343V86.1Confident92.9Very high140 Ų14082.2 Ų82.285%0.84840%0.396SS*.SBendtrans-82.8-24.4176.5-177.60000112.1K341K341-V343 PolarHBondContact O-N 3.39Å
344K87.1Confident93.1Very high175 Ų17579.2 Ų79.276%0.76138%0.383SS*.SBendtrans-134.6150.8178.7-62.2-178.1-177.5175.40109.5
345V91.3Very high93.3Very high137 Ų13782.2 Ų82.283%0.8340%0.4SS*.  trans-66.9133.1170.6-179.30000109.2R347V345-R347 PolarHBondContact O-N 3.06Å
346I94.4Very high93.4Very high43 Ų4382.2 Ų82.222%0.22140%0.4CS..  trans-65114.8175.6-64.1169.3000108.3V71 P127 V129 L142 H147 L342 Y348V71-I346 HydrophobicContact CG1-CD1 4.24Å; V71-I346 HydrophobicContact CG2-CD1 4.38Å; V71-I346 HydrophobicContact CG2-CG2 3.8Å; P127-I346 HydrophobicContact CB-CG2 3.88Å; P127-I346 HydrophobicContact CG-CG2 3.67Å; V129-I346 HydrophobicContact CG1-CG1 4.46Å; L142-I346 HydrophobicContact CD2-CD1 3.94Å; H147-I346 HydrophobicContact CB-CD1 4.13Å; L342-I346 HydrophobicContact CD1-CD1 4.25Å; L342-I346 HydrophobicContact CD2-CD1 4.15Å; L342-I346 HydrophobicContact CD2-CG1 4.06Å; I346-Y348 HydrophobicContact CG2-CE2 4.36Å
347R94.4Very high93.6Very high176 Ų17679.1 Ų79.166%0.66438%0.383SS*.  trans-131.7130.5-179.2175.4172.5179.7-176.71.2110.7V345 Q349V345-R347 PolarHBondContact O-N 3.06Å; R347-Q349 HydrophobicContact CG-CG 4.37Å
348Y95.6Very high93.8Very high67 Ų6781.8 Ų81.826%0.26339%0.386SS..  trans-83.5146.5166.2-62.4-87000110.1K69 L70 V71 P127 I346K69-Y348 HydrophobicContact CB-CE1 4.29Å; K69-Y348 HydrophobicContact CB-CE2 4.43Å; K69-Y348 HydrophobicContact CD-CE2 4.35Å; L70-Y348 VanDerWaalsContact C-OH 3.32Å; L70-Y348 VanDerWaalsContact O-CE1 3.23Å; L70-Y348 WeakPolarHBondContact O-CE1 3.27Å; L70-Y348 PolarHBondContact O-OH 2.89Å; V71-Y348 VanDerWaalsContact CG2-OH 3.32Å; V71-Y348 WeakPolarHBondContact CG2-OH 3.32Å; P127-Y348 HydrophobicContact CG-CD1 4.04Å; P127-Y348 HydrophobicContact CG-CD2 4.49Å; P127-Y348 HydrophobicContact CG-CE1 3.62Å; P127-Y348 HydrophobicContact CG-CE2 4.1Å; P127-Y348 HydrophobicContact CG-CG 4.43Å; I346-Y348 HydrophobicContact CG2-CE2 4.36Å
349Q95.6Very high94Very high114 Ų11478.1 Ų78.153%0.53337%0.366SS..  trans-132.3163.1177.2-56.4-172.354.800109.5G125 R347 Y382G125-Q349 PolarHBondContact O-N 3.44Å; R347-Q349 HydrophobicContact CG-CG 4.37Å; Q349-Y382 VanDerWaalsContact O-CE2 3.25Å; Q349-Y382 WeakPolarHBondContact O-CE2 3.31Å
350R95.8Very high94.2Very high81 Ų8173.9 Ų73.931%0.30635%0.348SS..  trans-67.3136.2174.3-166.6170-171.3-1019.6109.6L379 Y382 D383 N395R350-L379 HydrophobicContact CG-CD2 4.27Å; R350-Y382 HydrophobicContact CB-CD1 3.73Å; R350-Y382 HydrophobicContact CB-CE1 3.51Å; R350-Y382 HydrophobicContact CB-CE2 4.49Å; R350-Y382 HydrophobicContact CB-CG 4.34Å; R350-Y382 HydrophobicContact CG-CD1 3.6Å; R350-Y382 HydrophobicContact CG-CE1 3.88Å; R350-Y382 HydrophobicContact CG-CG 4.23Å; R350-D383 IonicContact CZ-OD1 3.31Å; R350-D383 IonicContact CZ-OD2 2.68Å; R350-D383 IonicContact NE-OD1 3.89Å; R350-D383 PolarHBondContact NE-OD1 3.46Å; R350-D383 IonicContact NE-OD2 2.7Å; R350-D383 PolarHBondContact NE-OD2 3.19Å; R350-D383 IonicContact NH2-OD1 3.11Å; R350-D383 IonicContact NH2-OD2 3.16Å; R350-D383 PolarHBondContact NH2-OD2 3.36Å; R350-N395 PolarHBondContact NH2-O 3.1Å
351P96.8Very high94.4Very high10 Ų1077.8 Ų77.87%0.06537%0.368CS..  trans-57.2139.5172.1-22.430.7000111.9L375 L378 L379P351-L375 HydrophobicContact CB-CD1 4.04Å; P351-L375 HydrophobicContact CB-CD2 4.11Å; P351-L375 HydrophobicContact CB-CG 4.24Å; P351-L378 HydrophobicContact CG-CB 4.27Å; P351-L379 HydrophobicContact CB-CD2 3.94Å; P351-L379 HydrophobicContact CG-CD2 4.27Å; P351-L379 VanDerWaalsContact O-CD2 3.31Å; P351-L379 WeakPolarHBondContact O-CD2 3.29Å
352D96.5Very high94.5Very high68 Ų6876.8 Ų76.836%0.36437%0.366SS..  trans-94.2110.6176.9-173.2-47.7000110.2C123 L354 L355 F356C123-D352 PolarHBondContact O-N 2.96Å; D352-L354 VanDerWaalsContact C-N 3.31Å; D352-L354 PolarHBondContact O-N 3.11Å; D352-L354 WeakPolarHBondContact OD1-CA 3.24Å; D352-L354 PolarHBondContact OD1-N 3Å; D352-L355 HydrophobicContact CB-CB 4.02Å; D352-L355 HydrophobicContact CB-CD1 4.02Å; D352-L355 HydrophobicContact CB-CG 4.15Å; D352-L355 PolarHBondContact OD1-N 3.05Å; D352-F356 WeakPolarHBondContact O-CB 3.39Å; D352-F356 PolarHBondContact O-N 3.18Å
353L94.7Very high94.6Very high13 Ų1376.8 Ų76.87%0.06836%0.363CS..Hα-helixtrans-66.2-29.2-177.1-175.460000113.3Q357 C372 L375 L379 P421 Y424L353-Q357 WeakPolarHBondContact O-CB 3.06Å; L353-Q357 VanDerWaalsContact O-CG 3.25Å; L353-Q357 WeakPolarHBondContact O-CG 3.49Å; L353-Q357 PolarHBondContact O-N 2.7Å; L353-Q357 PolarHBondContact O-NE2 3.18Å; L353-C372 HydrophobicContact CD1-CB 4.19Å; L353-L375 HydrophobicContact CB-CD2 4.2Å; L353-L375 HydrophobicContact CD1-CB 4.26Å; L353-L375 HydrophobicContact CD1-CD2 3.74Å; L353-L379 HydrophobicContact CB-CD1 4.37Å; L353-L379 HydrophobicContact CD1-CD1 4.27Å; L353-L379 HydrophobicContact CD2-CD1 4.25Å; L353-P421 HydrophobicContact CD2-CG 4.12Å; L353-Y424 HydrophobicContact CD2-CD2 4.07Å
354L95.7Very high94.9Very high50 Ų5070.5 Ų70.526%0.26233%0.325SS..Hα-helixtrans-85.5-41.4-177.2-179.761.3000111.5D352 R358 H423D352-L354 VanDerWaalsContact C-N 3.31Å; D352-L354 PolarHBondContact O-N 3.11Å; D352-L354 WeakPolarHBondContact OD1-CA 3.24Å; D352-L354 PolarHBondContact OD1-N 3Å; L354-R358 WeakPolarHBondContact O-CG 3.37Å; L354-R358 PolarHBondContact O-N 2.75Å; L354-R358 VanDerWaalsContact O-N 3.17Å; L354-H423 HydrophobicContact CB-CB 4.3Å; L354-H423 HydrophobicContact CD1-CB 4.34Å
355L96.8Very high95.3Very high83 Ų8368.3 Ų68.344%0.43532%0.318SS..Hα-helixtrans-65.8-43.7172.3-63.8179000110.7D352 Q357 R358 F359D352-L355 HydrophobicContact CB-CB 4.02Å; D352-L355 HydrophobicContact CB-CD1 4.02Å; D352-L355 HydrophobicContact CB-CG 4.15Å; D352-L355 PolarHBondContact OD1-N 3.05Å; L355-Q357 PolarHBondContact O-N 2.99Å; L355-R358 PolarHBondContact O-N 2.93Å; L355-F359 VanDerWaalsContact O-CB 3.27Å; L355-F359 WeakPolarHBondContact O-CB 3.49Å; L355-F359 PolarHBondContact O-N 3.09Å
356F97.4Very high95.4Very high0 Ų062.6 Ų62.60%028%0.281CS..Hα-helixtrans-62.9-41.1177.4-174.3-101.1000112.7F57 C123 L124 D352 T360 W366 A371 L375F57-F356 AromaticContact CD2-CE2 3.69Å; F57-F356 HydrophobicContact CD2-CE2 3.69Å; F57-F356 AromaticContact CD2-CZ 3.54Å; F57-F356 HydrophobicContact CD2-CZ 3.54Å; F57-F356 HydrophobicContact CE2-CE1 4.18Å; F57-F356 AromaticContact CE2-CE2 3.75Å; F57-F356 HydrophobicContact CE2-CE2 3.75Å; F57-F356 AromaticContact CE2-CZ 3.29Å; F57-F356 HydrophobicContact CE2-CZ 3.29Å; F57-F356 HydrophobicContact CG-CZ 4.38Å; F57-F356 AromaticContact CZ-CZ 3.95Å; F57-F356 HydrophobicContact CZ-CZ 3.95Å; C123-F356 HydrophobicContact CB-CB 4.35Å; C123-F356 HydrophobicContact CB-CD2 4.4Å; L124-F356 HydrophobicContact CD2-CD2 3.86Å; L124-F356 HydrophobicContact CD2-CE2 3.79Å; L124-F356 HydrophobicContact CG-CD2 4.45Å; L124-F356 HydrophobicContact CG-CE2 4.43Å; D352-F356 WeakPolarHBondContact O-CB 3.39Å; D352-F356 PolarHBondContact O-N 3.18Å; F356-T360 HydrophobicContact CD1-CG2 4.09Å; F356-T360 HydrophobicContact CD2-CG2 3.92Å; F356-T360 HydrophobicContact CE1-CG2 3.71Å; F356-T360 HydrophobicContact CE2-CG2 3.52Å; F356-T360 HydrophobicContact CG-CG2 4.19Å; F356-T360 HydrophobicContact CZ-CG2 3.41Å; F356-T360 VanDerWaalsContact CZ-CG2 3.41Å; F356-T360 WeakPolarHBondContact O-CB 3.44Å; F356-T360 WeakPolarHBondContact O-CG2 3.4Å; F356-T360 PolarHBondContact O-N 2.97Å; F356-T360 PolarHBondContact O-OG1 3.34Å; F356-W366 HydrophobicContact CZ-CZ3 4.17Å; F356-A371 HydrophobicContact CD1-CB 4.17Å; F356-A371 HydrophobicContact CE1-CB 4.06Å; F356-L375 HydrophobicContact CB-CD2 3.91Å; F356-L375 HydrophobicContact CD1-CB 4Å; F356-L375 HydrophobicContact CD1-CD1 3.9Å; F356-L375 HydrophobicContact CD1-CD2 3.92Å; F356-L375 HydrophobicContact CD1-CG 4.16Å; F356-L375 HydrophobicContact CD2-CD1 4.17Å; F356-L375 HydrophobicContact CE1-CB 4.09Å; F356-L375 HydrophobicContact CE1-CD1 4.06Å; F356-L375 HydrophobicContact CE2-CD1 4.33Å; F356-L375 HydrophobicContact CG-CD1 3.95Å; F356-L375 HydrophobicContact CG-CD2 4.02Å; F356-L375 HydrophobicContact CG-CG 4.48Å; F356-L375 HydrophobicContact CZ-CD1 4.27Å
357Q96.6Very high95.4Very high11 Ų1162.2 Ų62.25%0.05128%0.281CS..Hα-helixtrans-57.7-53.7172.3-83.9172.893.900111.7L353 L355 F359 T360 L361 N368 A371 C372 H423L353-Q357 WeakPolarHBondContact O-CB 3.06Å; L353-Q357 VanDerWaalsContact O-CG 3.25Å; L353-Q357 WeakPolarHBondContact O-CG 3.49Å; L353-Q357 PolarHBondContact O-N 2.7Å; L353-Q357 PolarHBondContact O-NE2 3.18Å; L355-Q357 PolarHBondContact O-N 2.99Å; Q357-F359 VanDerWaalsContact C-N 3.35Å; Q357-F359 PolarHBondContact O-N 3.16Å; Q357-T360 PolarHBondContact O-N 3.1Å; Q357-T360 PolarHBondContact O-OG1 3.49Å; Q357-L361 VanDerWaalsContact O-CB 3.24Å; Q357-L361 WeakPolarHBondContact O-CB 3.48Å; Q357-L361 PolarHBondContact O-N 2.83Å; Q357-N368 HydrophobicContact CG-CB 4.36Å; Q357-A371 HydrophobicContact CG-CB 4.23Å; Q357-C372 PolarHBondContact OE1-SG 3.47Å; Q357-H423 PolarHBondContact NE2-O 2.9Å; Q357-H423 PolarHBondContact OE1-O 2.85Å
358R96.9Very high95.4Very high156 Ų15656.9 Ų56.959%0.58927%0.266SS*.Hα-helixtrans-58.1-46.5179.8-69.9170-179.4174.41.1111.8L354 L355 E362L354-R358 WeakPolarHBondContact O-CG 3.37Å; L354-R358 PolarHBondContact O-N 2.75Å; L354-R358 VanDerWaalsContact O-N 3.17Å; L355-R358 PolarHBondContact O-N 2.93Å; R358-E362 WeakPolarHBondContact O-CB 3.45Å; R358-E362 PolarHBondContact O-N 3.03Å
359F96.9Very high95.2Very high16 Ų1656.6 Ų56.67%0.0727%0.267CS..Hα-helixtrans-64.2-47.3179.9179.2-85.4000112.2L53 E116 D119 M120 L355 Q357 E362 K363L53-F359 HydrophobicContact CD1-CE1 4.03Å; L53-F359 HydrophobicContact CD1-CZ 3.91Å; L53-F359 HydrophobicContact CD2-CE1 4.48Å; L53-F359 HydrophobicContact CD2-CZ 4.18Å; E116-F359 WeakPolarHBondContact O-CZ 3.32Å; D119-F359 HydrophobicContact CB-CD2 4.13Å; D119-F359 HydrophobicContact CB-CE2 3.58Å; D119-F359 HydrophobicContact CB-CZ 4.45Å; M120-F359 HydrophobicContact CB-CD1 4.46Å; M120-F359 HydrophobicContact CB-CE1 3.79Å; M120-F359 HydrophobicContact CB-CZ 3.92Å; M120-F359 HydrophobicContact CE-CE1 3.85Å; M120-F359 HydrophobicContact CG-CE1 4.4Å; L355-F359 VanDerWaalsContact O-CB 3.27Å; L355-F359 WeakPolarHBondContact O-CB 3.49Å; L355-F359 PolarHBondContact O-N 3.09Å; Q357-F359 VanDerWaalsContact C-N 3.35Å; Q357-F359 PolarHBondContact O-N 3.16Å; F359-E362 PolarHBondContact O-N 2.85Å; F359-K363 HydrophobicContact CD1-CG 4.38Å; F359-K363 HydrophobicContact CD2-CG 3.9Å; F359-K363 HydrophobicContact CE1-CB 4.17Å; F359-K363 HydrophobicContact CE1-CG 4.07Å; F359-K363 HydrophobicContact CE2-CG 3.59Å; F359-K363 HydrophobicContact CG-CG 4.28Å; F359-K363 HydrophobicContact CZ-CB 4.12Å; F359-K363 HydrophobicContact CZ-CG 3.67Å; F359-K363 WeakPolarHBondContact O-CB 3.4Å; F359-K363 WeakPolarHBondContact O-CG 2.88Å; F359-K363 PolarHBondContact O-N 2.9Å
360T95.8Very high95.1Very high0 Ų052.4 Ų52.40%025%0.246CC..Hα-helixtrans-72.7-31.3-177.655.50000112.8F356 Q357 M364 E365 W366 A371F356-T360 HydrophobicContact CD1-CG2 4.09Å; F356-T360 HydrophobicContact CD2-CG2 3.92Å; F356-T360 HydrophobicContact CE1-CG2 3.71Å; F356-T360 HydrophobicContact CE2-CG2 3.52Å; F356-T360 HydrophobicContact CG-CG2 4.19Å; F356-T360 HydrophobicContact CZ-CG2 3.41Å; F356-T360 VanDerWaalsContact CZ-CG2 3.41Å; F356-T360 WeakPolarHBondContact O-CB 3.44Å; F356-T360 WeakPolarHBondContact O-CG2 3.4Å; F356-T360 PolarHBondContact O-N 2.97Å; F356-T360 PolarHBondContact O-OG1 3.34Å; Q357-T360 PolarHBondContact O-N 3.1Å; Q357-T360 PolarHBondContact O-OG1 3.49Å; T360-M364 HydrophobicContact CG2-CE 3.49Å; T360-M364 VanDerWaalsContact CG2-CE 3.49Å; T360-M364 CarbonylContact O-C 3.39Å; T360-M364 WeakPolarHBondContact O-CA 3.49Å; T360-M364 WeakPolarHBondContact O-CB 3.49Å; T360-M364 PolarHBondContact O-N 3.29Å; T360-E365 PolarHBondContact O-N 3.18Å; T360-E365 VanDerWaalsContact O-N 3.13Å; T360-W366 HydrophobicContact CG2-CE3 3.98Å; T360-W366 HydrophobicContact CG2-CZ3 4.41Å; T360-W366 PolarHBondContact O-N 3.09Å; T360-W366 VanDerWaalsContact O-N 3.11Å; T360-A371 VanDerWaalsContact OG1-CB 3.24Å; T360-A371 WeakPolarHBondContact OG1-CB 3.41Å
361L95.2Very high95Very high84 Ų8448.5 Ų48.544%0.4423%0.232SC..Hα-helixtrans-64.2-49.7169.1-178.463.7000111.5Q357 E365 W366Q357-L361 VanDerWaalsContact O-CB 3.24Å; Q357-L361 WeakPolarHBondContact O-CB 3.48Å; Q357-L361 PolarHBondContact O-N 2.83Å; L361-E365 WeakPolarHBondContact O-CA 3.49Å; L361-E365 PolarHBondContact O-N 2.94Å; L361-W366 WeakPolarHBondContact CA-O 3.29Å; L361-W366 WeakPolarHBondContact CD1-O 3.31Å
362E94.9Very high94.9Very high137 Ų13748 Ų4864%0.6423%0.229SC*.Hα-helixtrans-72.6-38.1-176.2-161.1-138.9142.300113.4R358 F359R358-E362 WeakPolarHBondContact O-CB 3.45Å; R358-E362 PolarHBondContact O-N 3.03Å; F359-E362 PolarHBondContact O-N 2.85Å
363K93Very high94.8Very high51 Ų5149.4 Ų49.422%0.22223%0.233CC..Hα-helixtrans-99.4-22.2-173.6-51.4-48.4-171.8-164.10114.5K50 L53 F359K50-K363 WeakPolarHBondContact CG-O 3.35Å; L53-K363 HydrophobicContact CD1-CB 3.69Å; L53-K363 HydrophobicContact CD1-CG 4.48Å; F359-K363 HydrophobicContact CD1-CG 4.38Å; F359-K363 HydrophobicContact CD2-CG 3.9Å; F359-K363 HydrophobicContact CE1-CB 4.17Å; F359-K363 HydrophobicContact CE1-CG 4.07Å; F359-K363 HydrophobicContact CE2-CG 3.59Å; F359-K363 HydrophobicContact CG-CG 4.28Å; F359-K363 HydrophobicContact CZ-CB 4.12Å; F359-K363 HydrophobicContact CZ-CG 3.67Å; F359-K363 WeakPolarHBondContact O-CB 3.4Å; F359-K363 WeakPolarHBondContact O-CG 2.88Å; F359-K363 PolarHBondContact O-N 2.9Å
364M92.6Very high94.8Very high9 Ų950.6 Ų50.64%0.04424%0.237CC..Hα-helixtrans-130.33.4-176.3-63.9-166.7-69.700114.1K50 L53 R54 M120 T360 W366K50-M364 HydrophobicContact CB-CG 4.48Å; L53-M364 HydrophobicContact CB-CE 4.46Å; L53-M364 HydrophobicContact CB-CG 3.97Å; L53-M364 HydrophobicContact CB-SD 3.46Å; L53-M364 WeakPolarHBondContact CB-SD 3.49Å; L53-M364 HydrophobicContact CD1-CG 4.03Å; R54-M364 HydrophobicContact CB-SD 4.34Å; M120-M364 HydrophobicContact CE-CE 3.64Å; M120-M364 HydrophobicContact CE-SD 4.28Å; T360-M364 HydrophobicContact CG2-CE 3.49Å; T360-M364 VanDerWaalsContact CG2-CE 3.49Å; T360-M364 CarbonylContact O-C 3.39Å; T360-M364 WeakPolarHBondContact O-CA 3.49Å; T360-M364 WeakPolarHBondContact O-CB 3.49Å; T360-M364 PolarHBondContact O-N 3.29Å; M364-W366 HydrophobicContact CB-CD2 4.5Å; M364-W366 HydrophobicContact CB-CG 4.14Å; M364-W366 HydrophobicContact CE-CD2 3.92Å; M364-W366 HydrophobicContact CE-CE3 4.08Å; M364-W366 HydrophobicContact CE-CH2 3.94Å; M364-W366 HydrophobicContact CE-CZ2 3.75Å; M364-W366 HydrophobicContact CE-CZ3 4.09Å; M364-W366 PolarHBondContact O-N 2.9Å; M364-W366 HydrophobicContact SD-CZ2 4.06Å
365E93.7Very high94.8Very high129 Ų12948.2 Ų48.260%0.60323%0.225SC*.  trans59.426.9-179.2-60165.9-158.600113.1T360 L361T360-E365 PolarHBondContact O-N 3.18Å; T360-E365 VanDerWaalsContact O-N 3.13Å; L361-E365 WeakPolarHBondContact O-CA 3.49Å; L361-E365 PolarHBondContact O-N 2.94Å
366W93.7Very high94.7Very high17 Ų1744.5 Ų44.56%0.06421%0.206CC..  trans-77.6128.2-179.8-7311.7000111.3R54 F57 F58 F356 T360 L361 M364 Y370R54-W366 HydrophobicContact CG-CZ2 4.49Å; F57-W366 AromaticContact CD1-CH2 3.66Å; F57-W366 HydrophobicContact CD1-CH2 3.66Å; F57-W366 HydrophobicContact CD1-CZ3 4.09Å; F57-W366 HydrophobicContact CE1-CH2 4.04Å; F57-W366 HydrophobicContact CE1-CZ3 4.12Å; F57-W366 HydrophobicContact CG-CH2 4.23Å; F58-W366 HydrophobicContact CE2-CH2 4.2Å; F58-W366 HydrophobicContact CE2-CZ2 4.23Å; F58-W366 HydrophobicContact CZ-CH2 4Å; F58-W366 HydrophobicContact CZ-CZ2 4.33Å; F356-W366 HydrophobicContact CZ-CZ3 4.17Å; T360-W366 HydrophobicContact CG2-CE3 3.98Å; T360-W366 HydrophobicContact CG2-CZ3 4.41Å; T360-W366 PolarHBondContact O-N 3.09Å; T360-W366 VanDerWaalsContact O-N 3.11Å; L361-W366 WeakPolarHBondContact CA-O 3.29Å; L361-W366 WeakPolarHBondContact CD1-O 3.31Å; M364-W366 HydrophobicContact CB-CD2 4.5Å; M364-W366 HydrophobicContact CB-CG 4.14Å; M364-W366 HydrophobicContact CE-CD2 3.92Å; M364-W366 HydrophobicContact CE-CE3 4.08Å; M364-W366 HydrophobicContact CE-CH2 3.94Å; M364-W366 HydrophobicContact CE-CZ2 3.75Å; M364-W366 HydrophobicContact CE-CZ3 4.09Å; M364-W366 PolarHBondContact O-N 2.9Å; M364-W366 HydrophobicContact SD-CZ2 4.06Å; W366-Y370 HydrophobicContact CB-CD1 4.41Å; W366-Y370 AromaticContact CD2-CD1 3.81Å; W366-Y370 HydrophobicContact CD2-CD1 3.81Å; W366-Y370 AromaticContact CD2-CE1 3.77Å; W366-Y370 HydrophobicContact CD2-CE1 3.77Å; W366-Y370 AromaticContact CE2-CE1 3.91Å; W366-Y370 AromaticContact CE3-CD1 3.76Å; W366-Y370 HydrophobicContact CE3-CD1 3.76Å; W366-Y370 AromaticContact CE3-CE1 3.81Å; W366-Y370 HydrophobicContact CE3-CE1 3.81Å; W366-Y370 HydrophobicContact CG-CD1 4.12Å; W366-Y370 HydrophobicContact CG-CE1 4.35Å; W366-Y370 HydrophobicContact CH2-CE1 4.14Å; W366-Y370 HydrophobicContact CZ2-CE1 4.11Å; W366-Y370 HydrophobicContact CZ3-CD1 4.29Å; W366-Y370 AromaticContact CZ3-CE1 4Å; W366-Y370 HydrophobicContact CZ3-CE1 4Å
367P94.4Very high94.5Very high34 Ų3446.3 Ų46.322%0.22122%0.216CC..  trans-59140.1169.6-24.134.4000111.5H369 Y370 A371 I579P367-H369 VanDerWaalsContact CB-CE1 3.49Å; P367-H369 WeakPolarHBondContact CB-CE1 3.39Å; P367-H369 PolarHBondContact O-N 3.5Å; P367-H369 VanDerWaalsContact O-N 3.11Å; P367-Y370 WeakPolarHBondContact O-CB 3.42Å; P367-Y370 PolarHBondContact O-N 2.93Å; P367-A371 PolarHBondContact O-N 3.12Å; P367-I579 HydrophobicContact CG-CD1 4.36Å
368N94Very high94.5Very high64 Ų6446.4 Ų46.434%0.34222%0.217SC..Hα-helixtrans-51.1-40.4-177.3-74.2-14.4000113.4Q357 A371 C372 A425Q357-N368 HydrophobicContact CG-CB 4.36Å; N368-A371 PolarHBondContact O-N 2.99Å; N368-C372 WeakPolarHBondContact O-CB 3.29Å; N368-C372 PolarHBondContact O-N 2.81Å; N368-C372 PolarHBondContact O-SG 3.22Å; N368-A425 HydrophobicContact CB-CB 3.6Å
369H92.5Very high94.4Very high62 Ų6239 Ų3929%0.28719%0.189SC..Hα-helixtrans-66.8-36.8178.258.4-105.3000113.1P367 C372 E373 A425P367-H369 VanDerWaalsContact CB-CE1 3.49Å; P367-H369 WeakPolarHBondContact CB-CE1 3.39Å; P367-H369 PolarHBondContact O-N 3.5Å; P367-H369 VanDerWaalsContact O-N 3.11Å; H369-C372 PolarHBondContact O-N 3.32Å; H369-E373 WeakPolarHBondContact O-CB 3.33Å; H369-E373 PolarHBondContact O-N 3.42Å; H369-A425 WeakPolarHBondContact CA-O 3.44Å; H369-A425 HydrophobicContact CB-CB 4.45Å; H369-A425 WeakPolarHBondContact CB-O 3.34Å
370Y93Very high94.3Very high25 Ų2538.3 Ų38.310%0.09819%0.186CC..Hα-helixtrans-68.3-42.8175.8-178.1-85.7000110.5W366 P367 C372 E373 K374W366-Y370 HydrophobicContact CB-CD1 4.41Å; W366-Y370 AromaticContact CD2-CD1 3.81Å; W366-Y370 HydrophobicContact CD2-CD1 3.81Å; W366-Y370 AromaticContact CD2-CE1 3.77Å; W366-Y370 HydrophobicContact CD2-CE1 3.77Å; W366-Y370 AromaticContact CE2-CE1 3.91Å; W366-Y370 AromaticContact CE3-CD1 3.76Å; W366-Y370 HydrophobicContact CE3-CD1 3.76Å; W366-Y370 AromaticContact CE3-CE1 3.81Å; W366-Y370 HydrophobicContact CE3-CE1 3.81Å; W366-Y370 HydrophobicContact CG-CD1 4.12Å; W366-Y370 HydrophobicContact CG-CE1 4.35Å; W366-Y370 HydrophobicContact CH2-CE1 4.14Å; W366-Y370 HydrophobicContact CZ2-CE1 4.11Å; W366-Y370 HydrophobicContact CZ3-CD1 4.29Å; W366-Y370 AromaticContact CZ3-CE1 4Å; W366-Y370 HydrophobicContact CZ3-CE1 4Å; P367-Y370 WeakPolarHBondContact O-CB 3.42Å; P367-Y370 PolarHBondContact O-N 2.93Å; Y370-C372 VanDerWaalsContact C-N 3.33Å; Y370-C372 PolarHBondContact O-N 2.68Å; Y370-E373 PolarHBondContact O-N 3.03Å; Y370-K374 HydrophobicContact CD1-CG 4.06Å; Y370-K374 HydrophobicContact CE1-CG 3.8Å; Y370-K374 VanDerWaalsContact CE2-CE 3.4Å; Y370-K374 VanDerWaalsContact CZ-CE 3.41Å; Y370-K374 WeakPolarHBondContact O-CG 3.49Å; Y370-K374 PolarHBondContact O-N 2.97Å
371A94.8Very high94.2Very high0 Ų039 Ų390%019%0.189CC..Hα-helixtrans-60-42.6173.600000111.7F356 Q357 T360 P367 N368 L375F356-A371 HydrophobicContact CD1-CB 4.17Å; F356-A371 HydrophobicContact CE1-CB 4.06Å; Q357-A371 HydrophobicContact CG-CB 4.23Å; T360-A371 VanDerWaalsContact OG1-CB 3.24Å; T360-A371 WeakPolarHBondContact OG1-CB 3.41Å; P367-A371 PolarHBondContact O-N 3.12Å; N368-A371 PolarHBondContact O-N 2.99Å; A371-L375 WeakPolarHBondContact O-CB 3.42Å; A371-L375 PolarHBondContact O-N 3.31Å
372C94.6Very high94.2Very high0 Ų037.2 Ų37.20%018%0.177CC..Hα-helixtrans-62.4-49.3175.2-68.70000112.5L353 Q357 N368 H369 Y370 K374 L375 L376 Y424 A425L353-C372 HydrophobicContact CD1-CB 4.19Å; Q357-C372 PolarHBondContact OE1-SG 3.47Å; N368-C372 WeakPolarHBondContact O-CB 3.29Å; N368-C372 PolarHBondContact O-N 2.81Å; N368-C372 PolarHBondContact O-SG 3.22Å; H369-C372 PolarHBondContact O-N 3.32Å; Y370-C372 VanDerWaalsContact C-N 3.33Å; Y370-C372 PolarHBondContact O-N 2.68Å; C372-K374 VanDerWaalsContact C-N 3.33Å; C372-K374 PolarHBondContact O-N 2.65Å; C372-L375 PolarHBondContact O-N 2.75Å; C372-L376 PolarHBondContact O-N 2.75Å; C372-Y424 HydrophobicContact CB-CD1 4.14Å; C372-Y424 HydrophobicContact CB-CD2 3.77Å; C372-Y424 HydrophobicContact CB-CE1 3.96Å; C372-Y424 HydrophobicContact CB-CE2 3.59Å; C372-Y424 HydrophobicContact CB-CG 4.05Å; C372-A425 PolarHBondContact SG-N 3.43Å
373E93.6Very high94.2Very high96 Ų9630.7 Ų30.745%0.44915%0.146SC..Hα-helixtrans-58.8-43.3178.8-171.3-130.5130.400111.7H369 Y370H369-E373 WeakPolarHBondContact O-CB 3.33Å; H369-E373 PolarHBondContact O-N 3.42Å; Y370-E373 PolarHBondContact O-N 3.03Å
374K94.2Very high94.3Very high39 Ų3928.3 Ų28.317%0.1714%0.136CC..Hα-helixtrans-75.1-26.5-180-58.7-24.3-175.2-154.50113.1F57 Y370 C372F57-K374 HydrophobicContact CE1-CB 3.81Å; F57-K374 HydrophobicContact CZ-CB 3.77Å; Y370-K374 HydrophobicContact CD1-CG 4.06Å; Y370-K374 HydrophobicContact CE1-CG 3.8Å; Y370-K374 VanDerWaalsContact CE2-CE 3.4Å; Y370-K374 VanDerWaalsContact CZ-CE 3.41Å; Y370-K374 WeakPolarHBondContact O-CG 3.49Å; Y370-K374 PolarHBondContact O-N 2.97Å; C372-K374 VanDerWaalsContact C-N 3.33Å; C372-K374 PolarHBondContact O-N 2.65Å
375L95.9Very high94.3Very high0 Ų029.9 Ų29.90%014%0.144CC..Hα-helixtrans-82.6-25176-160.173.4000112.9F57 L124 P351 L353 F356 A371 C372 V377 L378 L379F57-L375 HydrophobicContact CE2-CD1 4.4Å; L124-L375 HydrophobicContact CD2-CD1 3.46Å; L124-L375 VanDerWaalsContact CD2-CD1 3.46Å; P351-L375 HydrophobicContact CB-CD1 4.04Å; P351-L375 HydrophobicContact CB-CD2 4.11Å; P351-L375 HydrophobicContact CB-CG 4.24Å; L353-L375 HydrophobicContact CB-CD2 4.2Å; L353-L375 HydrophobicContact CD1-CB 4.26Å; L353-L375 HydrophobicContact CD1-CD2 3.74Å; F356-L375 HydrophobicContact CB-CD2 3.91Å; F356-L375 HydrophobicContact CD1-CB 4Å; F356-L375 HydrophobicContact CD1-CD1 3.9Å; F356-L375 HydrophobicContact CD1-CD2 3.92Å; F356-L375 HydrophobicContact CD1-CG 4.16Å; F356-L375 HydrophobicContact CD2-CD1 4.17Å; F356-L375 HydrophobicContact CE1-CB 4.09Å; F356-L375 HydrophobicContact CE1-CD1 4.06Å; F356-L375 HydrophobicContact CE2-CD1 4.33Å; F356-L375 HydrophobicContact CG-CD1 3.95Å; F356-L375 HydrophobicContact CG-CD2 4.02Å; F356-L375 HydrophobicContact CG-CG 4.48Å; F356-L375 HydrophobicContact CZ-CD1 4.27Å; A371-L375 WeakPolarHBondContact O-CB 3.42Å; A371-L375 PolarHBondContact O-N 3.31Å; C372-L375 PolarHBondContact O-N 2.75Å; L375-V377 VanDerWaalsContact C-N 3.29Å; L375-V377 PolarHBondContact O-N 3.29Å; L375-L378 HydrophobicContact CD1-CD1 4.24Å; L375-L378 WeakPolarHBondContact O-CA 3.44Å; L375-L378 WeakPolarHBondContact O-CB 3.47Å; L375-L378 PolarHBondContact O-N 3.08Å; L375-L379 HydrophobicContact CD2-CD1 4.37Å; L375-L379 HydrophobicContact CD2-CG 4.43Å; L375-L379 HydrophobicContact CG-CG 4.32Å; L375-L379 PolarHBondContact O-N 3.26Å; L375-L379 VanDerWaalsContact O-N 3.08Å
376L95Very high94.4Very high5 Ų526 Ų263%0.02613%0.126CC..Hα-helixtrans-52.4-45.1-176.4-174.761.1000112.4C372 L378 L379 T380 L397 Y424 L436 T438C372-L376 PolarHBondContact O-N 2.75Å; L376-L378 PolarHBondContact O-N 2.99Å; L376-L378 VanDerWaalsContact O-N 3.16Å; L376-L379 PolarHBondContact O-N 2.74Å; L376-L379 VanDerWaalsContact O-N 3.16Å; L376-T380 HydrophobicContact CD1-CG2 4.23Å; L376-T380 HydrophobicContact CG-CG2 4.34Å; L376-T380 WeakPolarHBondContact O-CG2 3.4Å; L376-T380 PolarHBondContact O-N 2.97Å; L376-T380 PolarHBondContact O-OG1 2.83Å; L376-L397 HydrophobicContact CD1-CD1 3.94Å; L376-Y424 HydrophobicContact CB-CE2 4.33Å; L376-Y424 HydrophobicContact CD1-CE2 4.2Å; L376-Y424 HydrophobicContact CD2-CE2 4.33Å; L376-L436 HydrophobicContact CD2-CB 4.19Å; L376-L436 HydrophobicContact CD2-CD2 4.36Å; L376-T438 HydrophobicContact CD2-CG2 3.71Å; L376-T438 HydrophobicContact CG-CG2 3.74Å
377V93.8Very high94.5Very high38 Ų3826 Ų2623%0.2313%0.126CC..Hα-helixtrans-65.4-14.7178.2-61.70000114.6L375 T380 R381 T438L375-V377 VanDerWaalsContact C-N 3.29Å; L375-V377 PolarHBondContact O-N 3.29Å; V377-T380 WeakPolarHBondContact CA-OG1 3.34Å; V377-T380 PolarHBondContact O-OG1 3.42Å; V377-R381 WeakPolarHBondContact O-CB 3.34Å; V377-T438 HydrophobicContact CG1-CG2 4.17Å
378L95.1Very high94.4Very high13 Ų1330.1 Ų30.17%0.06814%0.14CC..Hα-helixtrans-94-35.6174.3-52.4-170.2000111.1F57 T64 L124 P351 L375 L376 Y382F57-L378 HydrophobicContact CE2-CD1 4.16Å; T64-L378 WeakPolarHBondContact OG1-CD2 3.45Å; L124-L378 HydrophobicContact CD2-CD1 4.23Å; P351-L378 HydrophobicContact CG-CB 4.27Å; L375-L378 HydrophobicContact CD1-CD1 4.24Å; L375-L378 WeakPolarHBondContact O-CA 3.44Å; L375-L378 WeakPolarHBondContact O-CB 3.47Å; L375-L378 PolarHBondContact O-N 3.08Å; L376-L378 PolarHBondContact O-N 2.99Å; L376-L378 VanDerWaalsContact O-N 3.16Å; L378-Y382 VanDerWaalsContact O-CB 3.27Å; L378-Y382 WeakPolarHBondContact O-CB 3.36Å; L378-Y382 PolarHBondContact O-N 3.35Å
379L95.3Very high94.4Very high1 Ų133.4 Ų33.41%0.00516%0.157CC..Hα-helixtrans-64.6-50.3172.3-64.8172.2000111.3R350 P351 L353 L375 L376 R381 Y382 D383 L397R350-L379 HydrophobicContact CG-CD2 4.27Å; P351-L379 HydrophobicContact CB-CD2 3.94Å; P351-L379 HydrophobicContact CG-CD2 4.27Å; P351-L379 VanDerWaalsContact O-CD2 3.31Å; P351-L379 WeakPolarHBondContact O-CD2 3.29Å; L353-L379 HydrophobicContact CB-CD1 4.37Å; L353-L379 HydrophobicContact CD1-CD1 4.27Å; L353-L379 HydrophobicContact CD2-CD1 4.25Å; L375-L379 HydrophobicContact CD2-CD1 4.37Å; L375-L379 HydrophobicContact CD2-CG 4.43Å; L375-L379 HydrophobicContact CG-CG 4.32Å; L375-L379 PolarHBondContact O-N 3.26Å; L375-L379 VanDerWaalsContact O-N 3.08Å; L376-L379 PolarHBondContact O-N 2.74Å; L376-L379 VanDerWaalsContact O-N 3.16Å; L379-R381 VanDerWaalsContact C-N 3.31Å; L379-R381 PolarHBondContact O-N 2.74Å; L379-Y382 PolarHBondContact O-N 3.27Å; L379-D383 WeakPolarHBondContact O-CB 3.44Å; L379-D383 VanDerWaalsContact O-CG 3.29Å; L379-D383 PolarHBondContact O-N 3.23Å; L379-L397 HydrophobicContact CB-CD1 3.88Å
380T94.9Very high94.4Very high0 Ų033.3 Ų33.30%017%0.173CC..Hα-helixtrans-58.3-44.8177.556.80000110.9L376 V377 M384 L397 W418 T438 E440L376-T380 HydrophobicContact CD1-CG2 4.23Å; L376-T380 HydrophobicContact CG-CG2 4.34Å; L376-T380 WeakPolarHBondContact O-CG2 3.4Å; L376-T380 PolarHBondContact O-N 2.97Å; L376-T380 PolarHBondContact O-OG1 2.83Å; V377-T380 WeakPolarHBondContact CA-OG1 3.34Å; V377-T380 PolarHBondContact O-OG1 3.42Å; T380-M384 WeakPolarHBondContact O-CB 3.45Å; T380-M384 VanDerWaalsContact O-CG 3.27Å; T380-M384 WeakPolarHBondContact O-CG 3.47Å; T380-M384 PolarHBondContact O-N 3.48Å; T380-L397 HydrophobicContact CG2-CD1 3.53Å; T380-W418 HydrophobicContact CG2-CD2 3.85Å; T380-W418 HydrophobicContact CG2-CE3 4.35Å; T380-W418 HydrophobicContact CG2-CG 4.4Å; T380-W418 HydrophobicContact CG2-CH2 3.95Å; T380-W418 HydrophobicContact CG2-CZ2 3.4Å; T380-W418 HydrophobicContact CG2-CZ3 4.39Å; T380-T438 HydrophobicContact CG2-CG2 4.01Å; T380-E440 WeakPolarHBondContact CB-OE1 3.44Å; T380-E440 PolarHBondContact OG1-OE1 3.11Å
381R93.7Very high94.3Very high16 Ų1635.4 Ų35.46%0.0619%0.192CC..Hα-helixtrans-65.6-45178.3-170.7173.2-169.1945.7112.8T64 Q65 D67 V377 L379 M384 I385 L444T64-R381 WeakPolarHBondContact O-CD 3.13Å; T64-R381 PolarHBondContact O-NE 3.19Å; Q65-R381 PolarHBondContact O-NH1 3.16Å; D67-R381 VanDerWaalsContact CB-NH2 3.26Å; D67-R381 VanDerWaalsContact CG-NH2 3.31Å; D67-R381 IonicContact OD1-CZ 3.77Å; D67-R381 IonicContact OD1-NE 3.33Å; D67-R381 IonicContact OD1-NH2 2.76Å; D67-R381 PolarHBondContact OD1-NH2 2.88Å; V377-R381 WeakPolarHBondContact O-CB 3.34Å; L379-R381 VanDerWaalsContact C-N 3.31Å; L379-R381 PolarHBondContact O-N 2.74Å; R381-M384 PolarHBondContact O-N 3.37Å; R381-I385 HydrophobicContact CG-CD1 3.86Å; R381-I385 HydrophobicContact CG-CG1 4.45Å; R381-I385 VanDerWaalsContact O-CG1 3.3Å; R381-I385 WeakPolarHBondContact O-CG1 3.44Å; R381-I385 PolarHBondContact O-N 2.96Å; R381-L444 HydrophobicContact CG-CD2 4.34Å
382Y95Very high94.1Very high46 Ų4642 Ų4218%0.1822%0.217CC..Hα-helixtrans-59.2-48.6177.8-178.3-83.2000110.9Q349 R350 L378 L379 M384 I385 E386Q349-Y382 VanDerWaalsContact O-CE2 3.25Å; Q349-Y382 WeakPolarHBondContact O-CE2 3.31Å; R350-Y382 HydrophobicContact CB-CD1 3.73Å; R350-Y382 HydrophobicContact CB-CE1 3.51Å; R350-Y382 HydrophobicContact CB-CE2 4.49Å; R350-Y382 HydrophobicContact CB-CG 4.34Å; R350-Y382 HydrophobicContact CG-CD1 3.6Å; R350-Y382 HydrophobicContact CG-CE1 3.88Å; R350-Y382 HydrophobicContact CG-CG 4.23Å; L378-Y382 VanDerWaalsContact O-CB 3.27Å; L378-Y382 WeakPolarHBondContact O-CB 3.36Å; L378-Y382 PolarHBondContact O-N 3.35Å; L379-Y382 PolarHBondContact O-N 3.27Å; Y382-M384 PolarHBondContact O-N 3.09Å; Y382-I385 PolarHBondContact O-N 2.91Å; Y382-I385 VanDerWaalsContact O-N 3.14Å; Y382-E386 HydrophobicContact CD1-CG 4.28Å; Y382-E386 HydrophobicContact CE1-CG 3.64Å; Y382-E386 WeakPolarHBondContact CE1-OE1 3.14Å; Y382-E386 VanDerWaalsContact CZ-OE1 3.26Å; Y382-E386 PolarHBondContact O-N 3.39Å; Y382-E386 PolarHBondContact OH-OE1 2.88Å
383D95.7Very high93.9Very high0 Ų046 Ų460%024%0.238CC..Hα-helixtrans-65.4-38.8-179.3-68-10.9000112.1R350 L379 I385 E386 R387 Q396 L397R350-D383 IonicContact CZ-OD1 3.31Å; R350-D383 IonicContact CZ-OD2 2.68Å; R350-D383 IonicContact NE-OD1 3.89Å; R350-D383 PolarHBondContact NE-OD1 3.46Å; R350-D383 IonicContact NE-OD2 2.7Å; R350-D383 PolarHBondContact NE-OD2 3.19Å; R350-D383 IonicContact NH2-OD1 3.11Å; R350-D383 IonicContact NH2-OD2 3.16Å; R350-D383 PolarHBondContact NH2-OD2 3.36Å; L379-D383 WeakPolarHBondContact O-CB 3.44Å; L379-D383 VanDerWaalsContact O-CG 3.29Å; L379-D383 PolarHBondContact O-N 3.23Å; D383-I385 VanDerWaalsContact C-N 3.34Å; D383-I385 PolarHBondContact O-N 2.95Å; D383-E386 PolarHBondContact O-N 3.13Å; D383-R387 WeakPolarHBondContact O-CB 3.24Å; D383-R387 VanDerWaalsContact O-CG 3.28Å; D383-R387 WeakPolarHBondContact O-CG 3.5Å; D383-R387 PolarHBondContact O-N 3.21Å; D383-Q396 HydrophobicContact CB-CB 4.02Å; D383-Q396 HydrophobicContact CB-CG 4.05Å; D383-Q396 VanDerWaalsContact OD2-CA 3.3Å; D383-Q396 WeakPolarHBondContact OD2-CA 3.22Å; D383-L397 WeakPolarHBondContact OD2-CG 3.19Å; D383-L397 PolarHBondContact OD2-N 3.06Å
384M95.3Very high93.7Very high0 Ų046.6 Ų46.60%025%0.253CS..Hα-helixtrans-62.8-39.1172.4-75.9-173.3-62.400112.6T380 R381 Y382 R387 K388 E440 L444 F445 A448 Y449T380-M384 WeakPolarHBondContact O-CB 3.45Å; T380-M384 VanDerWaalsContact O-CG 3.27Å; T380-M384 WeakPolarHBondContact O-CG 3.47Å; T380-M384 PolarHBondContact O-N 3.48Å; R381-M384 PolarHBondContact O-N 3.37Å; Y382-M384 PolarHBondContact O-N 3.09Å; M384-R387 PolarHBondContact O-N 3.25Å; M384-K388 VanDerWaalsContact O-CB 3.27Å; M384-K388 WeakPolarHBondContact O-CB 3.45Å; M384-K388 PolarHBondContact O-N 2.6Å; M384-E440 HydrophobicContact CE-CB 3.91Å; M384-E440 HydrophobicContact CE-CG 3.69Å; M384-E440 WeakPolarHBondContact CE-OE2 3.42Å; M384-E440 HydrophobicContact SD-CB 4.11Å; M384-E440 HydrophobicContact SD-CG 4.13Å; M384-L444 HydrophobicContact CB-CD1 4.15Å; M384-L444 HydrophobicContact CB-CD2 4.33Å; M384-L444 HydrophobicContact CB-CG 3.95Å; M384-L444 HydrophobicContact CE-CD2 3.9Å; M384-L444 HydrophobicContact CE-CG 4.19Å; M384-L444 HydrophobicContact SD-CD2 4.47Å; M384-L444 HydrophobicContact SD-CG 4.1Å; M384-F445 HydrophobicContact SD-CB 4.1Å; M384-F445 HydrophobicContact SD-CD2 3.85Å; M384-F445 HydrophobicContact SD-CG 4.47Å; M384-A448 HydrophobicContact CB-CB 3.87Å; M384-A448 HydrophobicContact CG-CB 3.73Å; M384-Y449 HydrophobicContact CG-CD2 4.43Å; M384-Y449 HydrophobicContact CG-CE2 3.8Å
385I93.2Very high93.4Very high42 Ų4250.3 Ų50.322%0.21527%0.274CS..Hα-helixtrans-68.5-43.6178-71.1170.5000110.8R381 Y382 D383 R387 K388 L389 L444R381-I385 HydrophobicContact CG-CD1 3.86Å; R381-I385 HydrophobicContact CG-CG1 4.45Å; R381-I385 VanDerWaalsContact O-CG1 3.3Å; R381-I385 WeakPolarHBondContact O-CG1 3.44Å; R381-I385 PolarHBondContact O-N 2.96Å; Y382-I385 PolarHBondContact O-N 2.91Å; Y382-I385 VanDerWaalsContact O-N 3.14Å; D383-I385 VanDerWaalsContact C-N 3.34Å; D383-I385 PolarHBondContact O-N 2.95Å; I385-R387 PolarHBondContact O-N 2.64Å; I385-K388 PolarHBondContact O-N 2.69Å; I385-L389 HydrophobicContact CG2-CD1 4.07Å; I385-L389 VanDerWaalsContact O-CG 3.28Å; I385-L389 WeakPolarHBondContact O-CG 2.95Å; I385-L389 PolarHBondContact O-N 2.97Å; I385-L444 HydrophobicContact CG1-CD1 4.33Å
386E94.3Very high93.4Very high48 Ų4850.6 Ų50.622%0.22428%0.275CS..Hα-helixtrans-59.7-44.9173.4-80.6-163.9162.700112Y382 D383 K388 L389 G390 S391 Q396Y382-E386 HydrophobicContact CD1-CG 4.28Å; Y382-E386 HydrophobicContact CE1-CG 3.64Å; Y382-E386 WeakPolarHBondContact CE1-OE1 3.14Å; Y382-E386 VanDerWaalsContact CZ-OE1 3.26Å; Y382-E386 PolarHBondContact O-N 3.39Å; Y382-E386 PolarHBondContact OH-OE1 2.88Å; D383-E386 PolarHBondContact O-N 3.13Å; E386-K388 PolarHBondContact O-N 2.87Å; E386-L389 CarbonylContact O-C 3.59Å; E386-L389 WeakPolarHBondContact O-CA 3.03Å; E386-L389 WeakPolarHBondContact O-CB 3.42Å; E386-L389 PolarHBondContact O-N 3.01Å; E386-G390 PolarHBondContact O-N 3.37Å; E386-S391 CarbonylContact C-O 3.57Å; E386-S391 PolarHBondContact O-N 3.22Å; E386-Q396 PolarHBondContact OE2-NE2 2.86Å
387R95.3Very high93.3Very high17 Ų1750.7 Ų50.76%0.06428%0.276CS..Hα-helixtrans-65-39.3178.7-72.6-176170.8-14015.1113D383 M384 I385 L389 G390 S391 R392 Q396 Q398 A448 Y449D383-R387 WeakPolarHBondContact O-CB 3.24Å; D383-R387 VanDerWaalsContact O-CG 3.28Å; D383-R387 WeakPolarHBondContact O-CG 3.5Å; D383-R387 PolarHBondContact O-N 3.21Å; M384-R387 PolarHBondContact O-N 3.25Å; I385-R387 PolarHBondContact O-N 2.64Å; R387-L389 PolarHBondContact O-N 2.94Å; R387-G390 WeakPolarHBondContact O-CA 3.39Å; R387-G390 PolarHBondContact O-N 2.89Å; R387-S391 PolarHBondContact N-O 2.87Å; R387-R392 HydrophobicContact CG-CG 4.22Å; R387-Q396 VanDerWaalsContact CG-OE1 3.29Å; R387-Q398 VanDerWaalsContact NH2-NE2 3.13Å; R387-A448 HydrophobicContact CB-CB 3.9Å; R387-Y449 VanDerWaalsContact NH1-CD1 3.31Å
388K93.8Very high93.4Very high120 Ų12052 Ų5252%0.52228%0.28SS..Hα-helixtrans-63.1-27.2171.8178.3174177.2179.60112.6M384 I385 E386 G390 L444 A447M384-K388 VanDerWaalsContact O-CB 3.27Å; M384-K388 WeakPolarHBondContact O-CB 3.45Å; M384-K388 PolarHBondContact O-N 2.6Å; I385-K388 PolarHBondContact O-N 2.69Å; E386-K388 PolarHBondContact O-N 2.87Å; K388-G390 VanDerWaalsContact C-N 3.3Å; K388-L444 HydrophobicContact CD-CD1 3.76Å; K388-A447 HydrophobicContact CB-CB 4.23Å; K388-A447 HydrophobicContact CD-CB 4.14Å; K388-A447 HydrophobicContact CG-CB 4.02Å
389L92.8Very high93.4Very high133 Ų13352 Ų5270%0.69628%0.28SS*.THydrogen-bonded Turntrans-86.14171.8-66169.3000113.4I385 E386 R387I385-L389 HydrophobicContact CG2-CD1 4.07Å; I385-L389 VanDerWaalsContact O-CG 3.28Å; I385-L389 WeakPolarHBondContact O-CG 2.95Å; I385-L389 PolarHBondContact O-N 2.97Å; E386-L389 CarbonylContact O-C 3.59Å; E386-L389 WeakPolarHBondContact O-CA 3.03Å; E386-L389 WeakPolarHBondContact O-CB 3.42Å; E386-L389 PolarHBondContact O-N 3.01Å; R387-L389 PolarHBondContact O-N 2.94Å
390G92.2Very high93.4Very high61 Ų6156.8 Ų56.863%0.62931%0.305SS*.THydrogen-bonded Turntrans89.4-8178.600000115.3E386 R387 K388 R392E386-G390 PolarHBondContact O-N 3.37Å; R387-G390 WeakPolarHBondContact O-CA 3.39Å; R387-G390 PolarHBondContact O-N 2.89Å; K388-G390 VanDerWaalsContact C-N 3.3Å; G390-R392 PolarHBondContact O-N 2.92Å
391S91.8Very high93.3Very high69 Ų6963.4 Ų63.448%0.48333%0.33SS..  trans-81.6104.6179.3-68.70000111E386 R387 Q396E386-S391 CarbonylContact C-O 3.57Å; E386-S391 PolarHBondContact O-N 3.22Å; R387-S391 PolarHBondContact N-O 2.87Å; S391-Q396 PolarHBondContact O-NE2 2.8Å
392R91.1Very high93.5Very high139 Ų13963 Ų6353%0.52533%0.329SS..  trans-104.2130.8172.1-66.9-175.2174.8-135.6-3.7110R387 G390 A448 E451R387-R392 HydrophobicContact CG-CG 4.22Å; G390-R392 PolarHBondContact O-N 2.92Å; R392-A448 PolarHBondContact NH2-O 3.17Å; R392-E451 IonicContact NH1-OE1 3.86Å; R392-E451 PolarHBondContact NH1-OE1 2.69Å; R392-E451 IonicContact NH1-OE2 2.74Å; R392-E451 IonicContact NH2-OE1 2.97Å; R392-E451 IonicContact NH2-OE2 3.27Å
393N90.4Very high93.4Very high83 Ų8363.5 Ų63.544%0.44434%0.337SS..  trans-137.5142.9-179.7-179.47.4000109.8N395 Q396N393-N395 PolarHBondContact O-N 2.78Å; N393-N395 PolarHBondContact OD1-N 3.49Å; N393-Q396 HydrophobicContact CB-CG 4.12Å; N393-Q396 WeakPolarHBondContact O-CB 3.47Å; N393-Q396 PolarHBondContact O-N 3.25Å; N393-Q396 VanDerWaalsContact O-N 3.12Å
394S88.3Confident93.3Very high109 Ų10968.4 Ų68.476%0.76236%0.358SS*.THydrogen-bonded Turntrans-57-31.8177.1-52.80000112.9Q396S394-Q396 PolarHBondContact O-N 3.41Å
395N89.4Confident93.3Very high116 Ų11671 Ų7162%0.6237%0.374SS*.THydrogen-bonded Turntrans-78-4.7-178.4-5833.8000113.7R350 N393R350-N395 PolarHBondContact NH2-O 3.1Å; N393-N395 PolarHBondContact O-N 2.78Å; N393-N395 PolarHBondContact OD1-N 3.49Å
396Q94.1Very high93.3Very high6 Ų673.8 Ų73.83%0.02838%0.382CS..SBendtrans-74.6148.8172-68.7165.4-1300109.9D383 E386 R387 S391 N393 S394 Q398D383-Q396 HydrophobicContact CB-CB 4.02Å; D383-Q396 HydrophobicContact CB-CG 4.05Å; D383-Q396 VanDerWaalsContact OD2-CA 3.3Å; D383-Q396 WeakPolarHBondContact OD2-CA 3.22Å; E386-Q396 PolarHBondContact OE2-NE2 2.86Å; R387-Q396 VanDerWaalsContact CG-OE1 3.29Å; S391-Q396 PolarHBondContact O-NE2 2.8Å; N393-Q396 HydrophobicContact CB-CG 4.12Å; N393-Q396 WeakPolarHBondContact O-CB 3.47Å; N393-Q396 PolarHBondContact O-N 3.25Å; N393-Q396 VanDerWaalsContact O-N 3.12Å; S394-Q396 PolarHBondContact O-N 3.41Å; Q396-Q398 PolarHBondContact O-NE2 2.85Å
397L94.4Very high93.2Very high8 Ų877 Ų774%0.04240%0.399CS..  trans-57.8145.4177.2-61.3178.3000111.2L376 L379 T380 D383 W418 P421 Y449L376-L397 HydrophobicContact CD1-CD1 3.94Å; L379-L397 HydrophobicContact CB-CD1 3.88Å; T380-L397 HydrophobicContact CG2-CD1 3.53Å; D383-L397 WeakPolarHBondContact OD2-CG 3.19Å; D383-L397 PolarHBondContact OD2-N 3.06Å; L397-W418 HydrophobicContact CB-CE3 3.64Å; L397-W418 HydrophobicContact CB-CZ3 3.77Å; L397-W418 HydrophobicContact CD1-CE3 4.43Å; L397-P421 HydrophobicContact CD2-CB 3.54Å; L397-P421 HydrophobicContact CD2-CG 3.67Å; L397-Y449 PolarHBondContact O-OH 3.41Å
398Q94.9Very high92.7Very high65 Ų6580.2 Ų80.230%0.30441%0.411SS..  trans-112.2126.8173.1-49.4-57.6-32.100109.3R387 Q396 E419R387-Q398 VanDerWaalsContact NH2-NE2 3.13Å; Q396-Q398 PolarHBondContact O-NE2 2.85Å; Q398-E419 WeakPolarHBondContact O-CB 3.23Å; Q398-E419 PolarHBondContact O-N 3.3Å
399P96Very high92.1Very high12 Ų1281.7 Ų81.78%0.07843%0.425CS..EExtended strand (participates in β ladder)trans-80.8128.3173.931-33000110.4I416 E417 W418 F445 Y449 I452P399-I416 HydrophobicContact CB-CG2 3.53Å; P399-E417 CarbonylContact C-O 3.52Å; P399-W418 HydrophobicContact CB-CD2 4.37Å; P399-W418 HydrophobicContact CB-CE3 3.92Å; P399-W418 HydrophobicContact CB-CH2 4.43Å; P399-W418 HydrophobicContact CB-CZ3 3.96Å; P399-W418 HydrophobicContact CG-CZ3 4.17Å; P399-F445 HydrophobicContact CB-CE2 4.1Å; P399-F445 HydrophobicContact CB-CZ 3.9Å; P399-F445 HydrophobicContact CG-CE2 4.08Å; P399-F445 HydrophobicContact CG-CZ 3.78Å; P399-Y449 VanDerWaalsContact CD-CD1 3.47Å; P399-Y449 HydrophobicContact CG-CD1 3.51Å; P399-Y449 HydrophobicContact CG-CD2 4.22Å; P399-Y449 HydrophobicContact CG-CE1 3.78Å; P399-Y449 HydrophobicContact CG-CE2 4.47Å; P399-Y449 HydrophobicContact CG-CG 3.77Å; P399-I452 HydrophobicContact CG-CG1 4.13Å
400I94.6Very high91.7Very high102 Ų10278.4 Ų78.452%0.52342%0.423SS..EExtended strand (participates in β ladder)trans-69.8-46.8176.5-59.4177.7000109.9E417 E419I400-E417 HydrophobicContact CB-CG 4.4Å; I400-E417 HydrophobicContact CD1-CG 4.44Å; I400-E417 PolarHBondContact N-O 3.3Å; I400-E419 HydrophobicContact CG1-CB 4.28Å
401R93.9Very high91.4Very high139 Ų13978.8 Ų78.853%0.52541%0.413SS..EExtended strand (participates in β ladder)trans-164.8159.8177.758.7-177.2174.9-149.3-17.8112.8E417R401-E417 HydrophobicContact CG-CB 4.19Å; R401-E417 IonicContact CZ-OE1 3.83Å; R401-E417 IonicContact CZ-OE2 3.14Å; R401-E417 PolarHBondContact N-O 3.39Å; R401-E417 IonicContact NE-OE1 2.76Å; R401-E417 IonicContact NE-OE2 3.52Å; R401-E417 PolarHBondContact NE-OE2 2.83Å; R401-E417 VanDerWaalsContact NH2-CD 3.26Å; R401-E417 IonicContact NH2-OE1 2.84Å; R401-E417 PolarHBondContact NH2-OE1 2.86Å; R401-E417 IonicContact NH2-OE2 2.84Å; R401-E417 PolarHBondContact NH2-OE2 3.33Å; R401-E417 PolarHBondContact O-N 2.87Å
402I96.6Very high91.5Very high9 Ų980.8 Ų80.85%0.04642%0.415CS..EExtended strand (participates in β ladder)trans-78.6123.2158.3-66158000107.9F414 I416 F445 I452 V453 Y456I402-F414 HydrophobicContact CD1-CD1 4.31Å; I402-F414 HydrophobicContact CD1-CD2 4.17Å; I402-F414 HydrophobicContact CD1-CE1 4.43Å; I402-F414 HydrophobicContact CD1-CE2 4.3Å; I402-F414 HydrophobicContact CD1-CG 4.2Å; I402-F414 HydrophobicContact CD1-CZ 4.44Å; I402-F414 HydrophobicContact CG1-CB 4.35Å; I402-F414 HydrophobicContact CG1-CG 4.23Å; I402-F414 HydrophobicContact CG2-CB 4.09Å; I402-F414 HydrophobicContact CG2-CD1 3.69Å; I402-F414 HydrophobicContact CG2-CE1 4.44Å; I402-F414 HydrophobicContact CG2-CG 4.05Å; I402-I416 HydrophobicContact CB-CD1 4.35Å; I402-I416 HydrophobicContact CG1-CD1 3.54Å; I402-F445 HydrophobicContact CD1-CD1 4.4Å; I402-F445 HydrophobicContact CD1-CE1 3.94Å; I402-F445 HydrophobicContact CG1-CE1 3.94Å; I402-F445 HydrophobicContact CG1-CZ 4.5Å; I402-I452 HydrophobicContact CD1-CG2 4.26Å; I402-I452 HydrophobicContact CG1-CG2 4.22Å; I402-V453 HydrophobicContact CD1-CB 4.47Å; I402-V453 HydrophobicContact CD1-CG2 3.97Å; I402-Y456 HydrophobicContact CB-CD1 4.33Å; I402-Y456 HydrophobicContact CB-CD2 3.76Å; I402-Y456 HydrophobicContact CB-CE2 4.28Å; I402-Y456 HydrophobicContact CB-CG 3.81Å; I402-Y456 HydrophobicContact CD1-CD1 4.1Å; I402-Y456 HydrophobicContact CD1-CG 3.93Å; I402-Y456 HydrophobicContact CG1-CG 4.49Å; I402-Y456 HydrophobicContact CG2-CD1 3.87Å; I402-Y456 HydrophobicContact CG2-CD2 3.67Å; I402-Y456 HydrophobicContact CG2-CE1 3.9Å; I402-Y456 HydrophobicContact CG2-CE2 3.7Å; I402-Y456 HydrophobicContact CG2-CG 3.77Å
403V94.3Very high91.7Very high56 Ų5674.2 Ų74.234%0.33939%0.39SS..EExtended strand (participates in β ladder)trans-78.7-52.5177.6-177.10000110.2E415 E417 L437V403-E415 HydrophobicContact CB-CB 4.36Å; V403-E415 HydrophobicContact CB-CG 4.18Å; V403-E415 HydrophobicContact CG2-CG 4.47Å; V403-E415 PolarHBondContact N-O 3.29Å; V403-E417 HydrophobicContact CG2-CB 3.89Å; V403-L437 HydrophobicContact CG2-CD2 3.88Å
404K93.3Very high92Very high102 Ų10270.7 Ų70.744%0.44337%0.37SS..EExtended strand (participates in β ladder)trans-165.7156.7178.352.9-166.5166.7-1710112.6E415K404-E415 WeakPolarHBondContact CE-OE2 3.26Å; K404-E415 HydrophobicContact CG-CB 4.34Å; K404-E415 VanDerWaalsContact CG-OE2 3.26Å; K404-E415 WeakPolarHBondContact CG-OE2 3.41Å; K404-E415 IonicContact NZ-OE2 3.81Å; K404-E415 PolarHBondContact O-N 3.24Å
405T94.6Very high92.4Very high56 Ų5666.1 Ų66.134%0.34434%0.337SS..EExtended strand (participates in β ladder)trans-68141163.847.40000111.2C413 F414 Y456T405-C413 CarbonylContact C-O 3.56Å; T405-C413 WeakPolarHBondContact CA-O 3.29Å; T405-F414 HydrophobicContact CG2-CD1 3.9Å; T405-F414 HydrophobicContact CG2-CE1 3.72Å; T405-Y456 HydrophobicContact CG2-CE1 4.16Å; T405-Y456 PolarHBondContact N-OH 3.4Å
406R93.7Very high92.7Very high99 Ų9960.6 Ų60.637%0.37431%0.308SS..EExtended strand (participates in β ladder)trans-135.4170.3175.7-70.1-171.6173.5-12014.8109.4C413 E415R406-C413 PolarHBondContact N-O 3.46Å; R406-C413 PolarHBondContact O-N 3.09Å; R406-C413 VanDerWaalsContact O-O 3.05Å; R406-E415 HydrophobicContact CG-CB 4.38Å; R406-E415 IonicContact CZ-OE1 3.25Å; R406-E415 IonicContact CZ-OE2 2.74Å; R406-E415 VanDerWaalsContact CZ-OE2 3.27Å; R406-E415 IonicContact NE-OE1 3.18Å; R406-E415 PolarHBondContact NE-OE1 2.91Å; R406-E415 IonicContact NE-OE2 2.92Å; R406-E415 PolarHBondContact NE-OE2 2.75Å; R406-E415 IonicContact NH2-OE1 2.6Å; R406-E415 PolarHBondContact NH2-OE1 2.89Å; R406-E415 IonicContact NH2-OE2 3.27Å; R406-E415 PolarHBondContact NH2-OE2 2.76Å
407I91.6Very high92.8Very high115 Ų11561.7 Ų61.759%0.5931%0.313SS*.EExtended strand (participates in β ladder)trans-127.9130.5170.7-60.5175.6000107.6V411I407-V411 CarbonylContact C-O 3.38Å; I407-V411 WeakPolarHBondContact CA-O 3.48Å
408R84.4Confident92.8Very high86 Ų8661.5 Ų61.533%0.32531%0.311SS..EExtended strand (participates in β ladder)trans-125.4116.4177-178.517565-156.2-7.3108.8G410 V411 I439R408-G410 PolarHBondContact O-N 3.12Å; R408-V411 PolarHBondContact N-O 2.98Å; R408-V411 WeakPolarHBondContact O-CB 3.22Å; R408-V411 PolarHBondContact O-N 3.49Å; R408-I439 PolarHBondContact NH1-O 2.79Å; R408-I439 PolarHBondContact NH2-O 2.88Å
409N81.5Confident92.7Very high151 Ų15164 Ų6481%0.80732%0.323SS*.THydrogen-bonded Turntrans53.933.7179.7-54.3-13.6000114V411N409-V411 VanDerWaalsContact C-N 3.29Å; N409-V411 PolarHBondContact O-N 3.5Å
410G83.8Confident92.5Very high64 Ų6469 Ų6966%0.6634%0.344SS*.THydrogen-bonded Turntrans83.9-9.3-175.100000115.2R408R408-G410 PolarHBondContact O-N 3.12Å
411V87.1Confident92.3Very high68 Ų6865.2 Ų65.241%0.41233%0.326SS..EExtended strand (participates in β ladder)trans-84.7136.8175.1-173.40000109.9I407 R408 N409 E441I407-V411 CarbonylContact C-O 3.38Å; I407-V411 WeakPolarHBondContact CA-O 3.48Å; R408-V411 PolarHBondContact N-O 2.98Å; R408-V411 WeakPolarHBondContact O-CB 3.22Å; R408-V411 PolarHBondContact O-N 3.49Å; N409-V411 VanDerWaalsContact C-N 3.29Å; N409-V411 PolarHBondContact O-N 3.5Å; V411-E441 HydrophobicContact CG1-CG 3.92Å
412H93.7Very high92Very high112 Ų11265.9 Ų65.952%0.51934%0.335SS..EExtended strand (participates in β ladder)trans-71.7131.3172.9-83.7-96.3000111E442H412-E442 HydrophobicContact CB-CB 4.43Å; H412-E442 HydrophobicContact CB-CG 4.09Å; H412-E442 IonicContact ND1-OE1 3.71Å; H412-E442 PolarHBondContact O-N 3.08Å
413C95.3Very high91.7Very high0 Ų070.8 Ų70.80%036%0.357CS..EExtended strand (participates in β ladder)trans-138.3148-176.5-59.50000112.8T405 R406 I439 E440T405-C413 CarbonylContact C-O 3.56Å; T405-C413 WeakPolarHBondContact CA-O 3.29Å; R406-C413 PolarHBondContact N-O 3.46Å; R406-C413 PolarHBondContact O-N 3.09Å; R406-C413 VanDerWaalsContact O-O 3.05Å; C413-I439 HydrophobicContact CB-CG2 3.55Å; C413-E440 CarbonylContact C-O 3.56Å; C413-E440 WeakPolarHBondContact CA-O 3.16Å; C413-E440 WeakPolarHBondContact CB-O 2.93Å
414F96.2Very high91.5Very high9 Ų969.1 Ų69.14%0.03935%0.345CS..EExtended strand (participates in β ladder)trans-93.7141.1162.7-63.8-54.5000110.4I402 T405 I416 I439 E440 E442 F445 V453 Y456I402-F414 HydrophobicContact CD1-CD1 4.31Å; I402-F414 HydrophobicContact CD1-CD2 4.17Å; I402-F414 HydrophobicContact CD1-CE1 4.43Å; I402-F414 HydrophobicContact CD1-CE2 4.3Å; I402-F414 HydrophobicContact CD1-CG 4.2Å; I402-F414 HydrophobicContact CD1-CZ 4.44Å; I402-F414 HydrophobicContact CG1-CB 4.35Å; I402-F414 HydrophobicContact CG1-CG 4.23Å; I402-F414 HydrophobicContact CG2-CB 4.09Å; I402-F414 HydrophobicContact CG2-CD1 3.69Å; I402-F414 HydrophobicContact CG2-CE1 4.44Å; I402-F414 HydrophobicContact CG2-CG 4.05Å; T405-F414 HydrophobicContact CG2-CD1 3.9Å; T405-F414 HydrophobicContact CG2-CE1 3.72Å; F414-I416 HydrophobicContact CB-CD1 3.47Å; F414-I416 VanDerWaalsContact CB-CD1 3.47Å; F414-I416 HydrophobicContact CB-CG1 4.2Å; F414-I416 HydrophobicContact CG-CD1 4.38Å; F414-I439 WeakPolarHBondContact O-CA 3.09Å; F414-E440 PolarHBondContact N-O 3.09Å; F414-E440 PolarHBondContact O-N 2.8Å; F414-E442 HydrophobicContact CD1-CG 3.96Å; F414-E442 HydrophobicContact CD2-CB 4.16Å; F414-E442 HydrophobicContact CD2-CG 3.81Å; F414-E442 HydrophobicContact CE1-CG 3.83Å; F414-E442 HydrophobicContact CE2-CB 3.77Å; F414-E442 HydrophobicContact CE2-CG 3.67Å; F414-E442 HydrophobicContact CG-CG 3.93Å; F414-E442 HydrophobicContact CZ-CB 4.06Å; F414-E442 HydrophobicContact CZ-CG 3.68Å; F414-F445 HydrophobicContact CD2-CB 4.16Å; F414-F445 AromaticContact CD2-CD1 3.79Å; F414-F445 HydrophobicContact CD2-CD1 3.79Å; F414-F445 HydrophobicContact CD2-CG 4.23Å; F414-F445 HydrophobicContact CE2-CD1 4.3Å; F414-V453 HydrophobicContact CE2-CG1 4.41Å; F414-V453 HydrophobicContact CE2-CG2 3.87Å; F414-V453 HydrophobicContact CZ-CG1 4.3Å; F414-V453 HydrophobicContact CZ-CG2 4.48Å; F414-Y456 HydrophobicContact CD1-CE1 4.48Å; F414-Y456 HydrophobicContact CE1-CD1 4.2Å; F414-Y456 HydrophobicContact CE1-CE1 4.1Å
415E96.5Very high91.3Very high14 Ų1465.4 Ų65.47%0.06533%0.333CS..EExtended strand (participates in β ladder)trans-85.8119.1159.7-177.6169.5-14500108.5V403 K404 R406 L437 T438V403-E415 HydrophobicContact CB-CB 4.36Å; V403-E415 HydrophobicContact CB-CG 4.18Å; V403-E415 HydrophobicContact CG2-CG 4.47Å; V403-E415 PolarHBondContact N-O 3.29Å; K404-E415 WeakPolarHBondContact CE-OE2 3.26Å; K404-E415 HydrophobicContact CG-CB 4.34Å; K404-E415 VanDerWaalsContact CG-OE2 3.26Å; K404-E415 WeakPolarHBondContact CG-OE2 3.41Å; K404-E415 IonicContact NZ-OE2 3.81Å; K404-E415 PolarHBondContact O-N 3.24Å; R406-E415 HydrophobicContact CG-CB 4.38Å; R406-E415 IonicContact CZ-OE1 3.25Å; R406-E415 IonicContact CZ-OE2 2.74Å; R406-E415 VanDerWaalsContact CZ-OE2 3.27Å; R406-E415 IonicContact NE-OE1 3.18Å; R406-E415 PolarHBondContact NE-OE1 2.91Å; R406-E415 IonicContact NE-OE2 2.92Å; R406-E415 PolarHBondContact NE-OE2 2.75Å; R406-E415 IonicContact NH2-OE1 2.6Å; R406-E415 PolarHBondContact NH2-OE1 2.89Å; R406-E415 IonicContact NH2-OE2 3.27Å; R406-E415 PolarHBondContact NH2-OE2 2.76Å; E415-L437 HydrophobicContact CG-CD2 4.29Å; E415-T438 WeakPolarHBondContact CA-O 3.3Å
416I96.3Very high90.8Very high0 Ų065.7 Ų65.70%033%0.331CS..EExtended strand (participates in β ladder)trans-111.8135.3-172.4-53.3-58.4000109.5P399 I402 F414 W418 L437 T438 E440 F445P399-I416 HydrophobicContact CB-CG2 3.53Å; I402-I416 HydrophobicContact CB-CD1 4.35Å; I402-I416 HydrophobicContact CG1-CD1 3.54Å; F414-I416 HydrophobicContact CB-CD1 3.47Å; F414-I416 VanDerWaalsContact CB-CD1 3.47Å; F414-I416 HydrophobicContact CB-CG1 4.2Å; F414-I416 HydrophobicContact CG-CD1 4.38Å; I416-W418 HydrophobicContact CB-CZ2 4.15Å; I416-W418 HydrophobicContact CG1-CZ2 4.47Å; I416-W418 HydrophobicContact CG2-CD2 3.84Å; I416-W418 HydrophobicContact CG2-CG 4.19Å; I416-W418 HydrophobicContact CG2-CH2 4.39Å; I416-W418 HydrophobicContact CG2-CZ2 3.69Å; I416-L437 VanDerWaalsContact O-CA 3.31Å; I416-L437 WeakPolarHBondContact O-CA 3.45Å; I416-T438 PolarHBondContact N-O 3.4Å; I416-T438 PolarHBondContact O-N 2.9Å; I416-E440 HydrophobicContact CG1-CG 4.24Å; I416-F445 HydrophobicContact CB-CE2 4.41Å; I416-F445 HydrophobicContact CD1-CD1 4Å; I416-F445 HydrophobicContact CD1-CD2 3.82Å; I416-F445 HydrophobicContact CD1-CE1 3.73Å; I416-F445 HydrophobicContact CD1-CE2 3.53Å; I416-F445 HydrophobicContact CD1-CG 4.05Å; I416-F445 HydrophobicContact CD1-CZ 3.48Å; I416-F445 VanDerWaalsContact CD1-CZ 3.48Å; I416-F445 HydrophobicContact CG1-CD2 3.82Å; I416-F445 HydrophobicContact CG1-CE2 3.65Å; I416-F445 HydrophobicContact CG1-CG 4.43Å; I416-F445 HydrophobicContact CG1-CZ 4.13Å; I416-F445 HydrophobicContact CG2-CE2 3.87Å; I416-F445 HydrophobicContact CG2-CZ 4.19Å
417E95.4Very high90.2Very high28 Ų2865.3 Ų65.313%0.13133%0.334CS..EExtended strand (participates in β ladder)trans-101.4125.3170-178.1168.6177.400109.1P399 I400 R401 V403 A435 L436 L437P399-E417 CarbonylContact C-O 3.52Å; I400-E417 HydrophobicContact CB-CG 4.4Å; I400-E417 HydrophobicContact CD1-CG 4.44Å; I400-E417 PolarHBondContact N-O 3.3Å; R401-E417 HydrophobicContact CG-CB 4.19Å; R401-E417 IonicContact CZ-OE1 3.83Å; R401-E417 IonicContact CZ-OE2 3.14Å; R401-E417 PolarHBondContact N-O 3.39Å; R401-E417 IonicContact NE-OE1 2.76Å; R401-E417 IonicContact NE-OE2 3.52Å; R401-E417 PolarHBondContact NE-OE2 2.83Å; R401-E417 VanDerWaalsContact NH2-CD 3.26Å; R401-E417 IonicContact NH2-OE1 2.84Å; R401-E417 PolarHBondContact NH2-OE1 2.86Å; R401-E417 IonicContact NH2-OE2 2.84Å; R401-E417 PolarHBondContact NH2-OE2 3.33Å; R401-E417 PolarHBondContact O-N 2.87Å; V403-E417 HydrophobicContact CG2-CB 3.89Å; E417-A435 HydrophobicContact CG-CB 3.96Å; E417-L436 WeakPolarHBondContact CA-O 3.34Å; E417-L437 HydrophobicContact CB-CD2 3.94Å; E417-L437 HydrophobicContact CG-CD2 4.43Å
418W94.8Very high88.8Confident4 Ų467.6 Ų67.62%0.01535%0.347CS..EExtended strand (participates in β ladder)trans-110.3149.2-170.9-62.191.7000112.7T380 L397 P399 I416 L436 T438 E440 F445 Y449T380-W418 HydrophobicContact CG2-CD2 3.85Å; T380-W418 HydrophobicContact CG2-CE3 4.35Å; T380-W418 HydrophobicContact CG2-CG 4.4Å; T380-W418 HydrophobicContact CG2-CH2 3.95Å; T380-W418 HydrophobicContact CG2-CZ2 3.4Å; T380-W418 HydrophobicContact CG2-CZ3 4.39Å; L397-W418 HydrophobicContact CB-CE3 3.64Å; L397-W418 HydrophobicContact CB-CZ3 3.77Å; L397-W418 HydrophobicContact CD1-CE3 4.43Å; P399-W418 HydrophobicContact CB-CD2 4.37Å; P399-W418 HydrophobicContact CB-CE3 3.92Å; P399-W418 HydrophobicContact CB-CH2 4.43Å; P399-W418 HydrophobicContact CB-CZ3 3.96Å; P399-W418 HydrophobicContact CG-CZ3 4.17Å; I416-W418 HydrophobicContact CB-CZ2 4.15Å; I416-W418 HydrophobicContact CG1-CZ2 4.47Å; I416-W418 HydrophobicContact CG2-CD2 3.84Å; I416-W418 HydrophobicContact CG2-CG 4.19Å; I416-W418 HydrophobicContact CG2-CH2 4.39Å; I416-W418 HydrophobicContact CG2-CZ2 3.69Å; W418-L436 HydrophobicContact CB-CB 4.23Å; W418-L436 PolarHBondContact N-O 3.43Å; W418-T438 PolarHBondContact NE1-OG1 3.17Å; W418-E440 HydrophobicContact CZ2-CG 4.3Å; W418-F445 HydrophobicContact CH2-CE2 4.03Å; W418-F445 HydrophobicContact CZ2-CE2 4.2Å; W418-Y449 AromaticContact CH2-CE2 3.86Å; W418-Y449 HydrophobicContact CH2-CE2 3.86Å; W418-Y449 HydrophobicContact CZ3-CE2 4.11Å; W418-Y449 AromaticContact CZ3-CZ 3.95Å
419E93.4Very high87.3Confident118 Ų11869.2 Ų69.255%0.55136%0.357SS*.PPolyproline II helixtrans-67.7143.3166.5-173.5166.6-14500110.3Q398 I400 P421Q398-E419 WeakPolarHBondContact O-CB 3.23Å; Q398-E419 PolarHBondContact O-N 3.3Å; I400-E419 HydrophobicContact CG1-CB 4.28Å; E419-P421 VanDerWaalsContact O-CD 3.31Å; E419-P421 WeakPolarHBondContact O-CD 3.33Å
420K91.2Very high86.1Confident117 Ų11771.5 Ų71.551%0.50936%0.362SS..PPolyproline II helixtrans-70117.1-176.2-176.2-173.6176.2-176.50110.6Y424 L436K420-Y424 WeakPolarHBondContact CE-O 3.5Å; K420-Y424 HydrophobicContact CG-CG 4.47Å; K420-Y424 PolarHBondContact NZ-O 3.09Å; K420-L436 HydrophobicContact CB-CD1 4.45Å
421P90.4Very high84.2Confident22 Ų2275.5 Ų75.514%0.14336%0.364CS..PPolyproline II helixtrans-72.6160.5177.824.7-26.6000112.6L353 L397 E419 Y424L353-P421 HydrophobicContact CD2-CG 4.12Å; L397-P421 HydrophobicContact CD2-CB 3.54Å; L397-P421 HydrophobicContact CD2-CG 3.67Å; E419-P421 VanDerWaalsContact O-CD 3.31Å; E419-P421 WeakPolarHBondContact O-CD 3.33Å; P421-Y424 HydrophobicContact CG-CD2 3.77Å; P421-Y424 HydrophobicContact CG-CG 4.26Å; P421-Y424 VanDerWaalsContact O-CB 3.3Å; P421-Y424 WeakPolarHBondContact O-CB 3.45Å; P421-Y424 PolarHBondContact O-N 3.38Å
422E88.4Confident82.2Confident153 Ų15375.6 Ų75.672%0.71538%0.378SS*.THydrogen-bonded Turntrans-49.6140.9169.2-60.9-175.9176.400111.2Y424E422-Y424 PolarHBondContact O-N 3.04Å; E422-Y424 VanDerWaalsContact O-N 3.15Å
423H89.7Confident80.2Confident112 Ų11279.7 Ų79.752%0.51940%0.397SS..THydrogen-bonded Turntrans63.27.1-179.6-45.893.5000116.2L354 Q357 A425L354-H423 HydrophobicContact CB-CB 4.3Å; L354-H423 HydrophobicContact CD1-CB 4.34Å; Q357-H423 PolarHBondContact NE2-O 2.9Å; Q357-H423 PolarHBondContact OE1-O 2.85Å; H423-A425 PolarHBondContact O-N 3.46Å
424Y91Very high78.5Confident22 Ų2286.1 Ų86.19%0.08643%0.426CS..PPolyproline II helixtrans-70.8120.3174.8-162.2-78.5000111.8L353 C372 L376 K420 P421 E422 M426 L436L353-Y424 HydrophobicContact CD2-CD2 4.07Å; C372-Y424 HydrophobicContact CB-CD1 4.14Å; C372-Y424 HydrophobicContact CB-CD2 3.77Å; C372-Y424 HydrophobicContact CB-CE1 3.96Å; C372-Y424 HydrophobicContact CB-CE2 3.59Å; C372-Y424 HydrophobicContact CB-CG 4.05Å; L376-Y424 HydrophobicContact CB-CE2 4.33Å; L376-Y424 HydrophobicContact CD1-CE2 4.2Å; L376-Y424 HydrophobicContact CD2-CE2 4.33Å; K420-Y424 WeakPolarHBondContact CE-O 3.5Å; K420-Y424 HydrophobicContact CG-CG 4.47Å; K420-Y424 PolarHBondContact NZ-O 3.09Å; P421-Y424 HydrophobicContact CG-CD2 3.77Å; P421-Y424 HydrophobicContact CG-CG 4.26Å; P421-Y424 VanDerWaalsContact O-CB 3.3Å; P421-Y424 WeakPolarHBondContact O-CB 3.45Å; P421-Y424 PolarHBondContact O-N 3.38Å; E422-Y424 PolarHBondContact O-N 3.04Å; E422-Y424 VanDerWaalsContact O-N 3.15Å; Y424-M426 HydrophobicContact CD1-SD 3.66Å; Y424-M426 HydrophobicContact CE1-SD 3.59Å; Y424-M426 VanDerWaalsContact CE1-SD 3.59Å; Y424-L436 HydrophobicContact CD1-CD2 4.08Å; Y424-L436 HydrophobicContact CD2-CD2 3.91Å; Y424-L436 HydrophobicContact CE1-CD2 3.91Å; Y424-L436 HydrophobicContact CE1-CG 4.15Å; Y424-L436 HydrophobicContact CE2-CD2 3.71Å; Y424-L436 HydrophobicContact CG-CD2 4.09Å
425A88.8Confident77.4Confident23 Ų2387.8 Ų87.819%0.1944%0.441CS..PPolyproline II helixtrans-86.5136.8173.900000111.5N368 H369 C372 H423N368-A425 HydrophobicContact CB-CB 3.6Å; H369-A425 WeakPolarHBondContact CA-O 3.44Å; H369-A425 HydrophobicContact CB-CB 4.45Å; H369-A425 WeakPolarHBondContact CB-O 3.34Å; C372-A425 PolarHBondContact SG-N 3.43Å; H423-A425 PolarHBondContact O-N 3.46Å
426M84.3Confident77.1Confident62 Ų6287.9 Ų87.931%0.30544%0.442SS..PPolyproline II helixtrans-101165.8172.9-58.9-60.6-73.900110.2Y424 F434 L436Y424-M426 HydrophobicContact CD1-SD 3.66Å; Y424-M426 HydrophobicContact CE1-SD 3.59Å; Y424-M426 VanDerWaalsContact CE1-SD 3.59Å; M426-F434 HydrophobicContact CE-CB 3.93Å; M426-F434 WeakPolarHBondContact CE-O 3.35Å; M426-L436 HydrophobicContact CE-CD1 4.09Å; M426-L436 HydrophobicContact SD-CD1 4.02Å
427E79.7Confident76.9Confident92 Ų9291.7 Ų91.743%0.4346%0.462SS..PPolyproline II helixtrans-85.4116.5167.6-168.2-174.2174.400109.7K429E427-K429 HydrophobicContact CG-CD 4.5Å; E427-K429 PolarHBondContact O-N 2.88Å; E427-K429 WeakPolarHBondContact OE1-CE 3.39Å; E427-K429 IonicContact OE1-NZ 2.94Å; E427-K429 PolarHBondContact OE1-NZ 3.36Å
428D63.1Low76.9Confident162 Ų16290.7 Ų90.787%0.86646%0.458SS*.  trans-73.590.5-176.2-81.3-43.9000112.6
429K53.5Low76.9Confident121 Ų12193 Ų9353%0.52647%0.469SS..  trans-140.358.9177.2-76-176176.11570115E427 H431E427-K429 HydrophobicContact CG-CD 4.5Å; E427-K429 PolarHBondContact O-N 2.88Å; E427-K429 WeakPolarHBondContact OE1-CE 3.39Å; E427-K429 IonicContact OE1-NZ 2.94Å; E427-K429 PolarHBondContact OE1-NZ 3.36Å; K429-H431 PolarHBondContact O-N 3.48Å; K429-H431 PolarHBondContact O-ND1 3.3Å
430Q55.4Low76.9Confident199 Ų19987.8 Ų87.893%0.9345%0.445SS*.SBendtrans51.46.1151.5-67.9-176.6-24.800120.3
431H44Very low77Confident148 Ų14885.6 Ų85.669%0.68544%0.437SS*.SBendtrans-126.4153.9-177.3-58.680.1000108.8K429K429-H431 PolarHBondContact O-N 3.48Å; K429-H431 PolarHBondContact O-ND1 3.3Å
432G44.9Very low77.2Confident69 Ų6986.7 Ų86.771%0.71144%0.44SS*.SBendtrans-54.9152.1-164.900000115.2F434G432-F434 PolarHBondContact O-N 2.91Å; G432-F434 VanDerWaalsContact O-N 3.07Å
433E52.4Low77.4Confident198 Ų19882.9 Ų82.993%0.92543%0.43SS*.  trans-31.1104.8-174.8-61.6178.613800114A435E433-A435 PolarHBondContact O-N 3.43Å; E433-A435 VanDerWaalsContact O-N 3.1Å
434F59.8Low77.6Confident136 Ų13677.8 Ų77.860%0.59641%0.407SS*.  trans-64.8112.2172.1-78.6-86000109.4M426 G432 L436M426-F434 HydrophobicContact CE-CB 3.93Å; M426-F434 WeakPolarHBondContact CE-O 3.35Å; G432-F434 PolarHBondContact O-N 2.91Å; G432-F434 VanDerWaalsContact O-N 3.07Å; F434-L436 PolarHBondContact O-N 2.64Å
435A72.6Confident77.9Confident43 Ų4376.7 Ų76.736%0.35540%0.402SS..  trans-52126.8173.600000111.1E417 E433 L437E417-A435 HydrophobicContact CG-CB 3.96Å; E433-A435 PolarHBondContact O-N 3.43Å; E433-A435 VanDerWaalsContact O-N 3.1Å; A435-L437 HydrophobicContact CB-CD1 4.46Å; A435-L437 HydrophobicContact CB-CD2 4.18Å; A435-L437 HydrophobicContact CB-CG 4.02Å; A435-L437 PolarHBondContact O-N 2.65Å; A435-L437 VanDerWaalsContact O-N 3.08Å
436L89.2Confident78.3Confident17 Ų1779.9 Ų79.99%0.08941%0.413CS..EExtended strand (participates in β ladder)trans-72.9101.5172.1-80.874.7000108.1L376 E417 W418 K420 Y424 M426 F434L376-L436 HydrophobicContact CD2-CB 4.19Å; L376-L436 HydrophobicContact CD2-CD2 4.36Å; E417-L436 WeakPolarHBondContact CA-O 3.34Å; W418-L436 HydrophobicContact CB-CB 4.23Å; W418-L436 PolarHBondContact N-O 3.43Å; K420-L436 HydrophobicContact CB-CD1 4.45Å; Y424-L436 HydrophobicContact CD1-CD2 4.08Å; Y424-L436 HydrophobicContact CD2-CD2 3.91Å; Y424-L436 HydrophobicContact CE1-CD2 3.91Å; Y424-L436 HydrophobicContact CE1-CG 4.15Å; Y424-L436 HydrophobicContact CE2-CD2 3.71Å; Y424-L436 HydrophobicContact CG-CD2 4.09Å; M426-L436 HydrophobicContact CE-CD1 4.09Å; M426-L436 HydrophobicContact SD-CD1 4.02Å; F434-L436 PolarHBondContact O-N 2.64Å
437L92.9Very high78.8Confident80 Ų8079 Ų7942%0.41942%0.416SS..EExtended strand (participates in β ladder)trans-106.8133.3-174.3-66173.2000112.3V403 E415 I416 E417 A435V403-L437 HydrophobicContact CG2-CD2 3.88Å; E415-L437 HydrophobicContact CG-CD2 4.29Å; I416-L437 VanDerWaalsContact O-CA 3.31Å; I416-L437 WeakPolarHBondContact O-CA 3.45Å; E417-L437 HydrophobicContact CB-CD2 3.94Å; E417-L437 HydrophobicContact CG-CD2 4.43Å; A435-L437 HydrophobicContact CB-CD1 4.46Å; A435-L437 HydrophobicContact CB-CD2 4.18Å; A435-L437 HydrophobicContact CB-CG 4.02Å; A435-L437 PolarHBondContact O-N 2.65Å; A435-L437 VanDerWaalsContact O-N 3.08Å
438T94.6Very high79.6Confident7 Ų774.7 Ų74.74%0.04340%0.396CS..EExtended strand (participates in β ladder)trans-128.8170.8163.974.90000111.7L376 V377 T380 E415 I416 W418 E440L376-T438 HydrophobicContact CD2-CG2 3.71Å; L376-T438 HydrophobicContact CG-CG2 3.74Å; V377-T438 HydrophobicContact CG1-CG2 4.17Å; T380-T438 HydrophobicContact CG2-CG2 4.01Å; E415-T438 WeakPolarHBondContact CA-O 3.3Å; I416-T438 PolarHBondContact N-O 3.4Å; I416-T438 PolarHBondContact O-N 2.9Å; W418-T438 PolarHBondContact NE1-OG1 3.17Å; T438-E440 VanDerWaalsContact CB-OE1 3.23Å; T438-E440 WeakPolarHBondContact CB-OE1 3.4Å; T438-E440 WeakPolarHBondContact OG1-CG 3.31Å; T438-E440 PolarHBondContact OG1-OE1 3.4Å
439I94.8Very high81.1Confident51 Ų5167 Ų6726%0.26236%0.355SS..EExtended strand (participates in β ladder)trans-124.5105.8177.5-60.5175.2000108R408 C413 F414R408-I439 PolarHBondContact NH1-O 2.79Å; R408-I439 PolarHBondContact NH2-O 2.88Å; C413-I439 HydrophobicContact CB-CG2 3.55Å; F414-I439 WeakPolarHBondContact O-CA 3.09Å
440E94.4Very high83.2Confident9 Ų964 Ų644%0.04235%0.347CS..EExtended strand (participates in β ladder)trans-113.2151.4-173.4-52-55.5169.500111.6T380 M384 C413 F414 I416 W418 T438 F445T380-E440 WeakPolarHBondContact CB-OE1 3.44Å; T380-E440 PolarHBondContact OG1-OE1 3.11Å; M384-E440 HydrophobicContact CE-CB 3.91Å; M384-E440 HydrophobicContact CE-CG 3.69Å; M384-E440 WeakPolarHBondContact CE-OE2 3.42Å; M384-E440 HydrophobicContact SD-CB 4.11Å; M384-E440 HydrophobicContact SD-CG 4.13Å; C413-E440 CarbonylContact C-O 3.56Å; C413-E440 WeakPolarHBondContact CA-O 3.16Å; C413-E440 WeakPolarHBondContact CB-O 2.93Å; F414-E440 PolarHBondContact N-O 3.09Å; F414-E440 PolarHBondContact O-N 2.8Å; I416-E440 HydrophobicContact CG1-CG 4.24Å; W418-E440 HydrophobicContact CZ2-CG 4.3Å; T438-E440 VanDerWaalsContact CB-OE1 3.23Å; T438-E440 WeakPolarHBondContact CB-OE1 3.4Å; T438-E440 WeakPolarHBondContact OG1-CG 3.31Å; T438-E440 PolarHBondContact OG1-OE1 3.4Å; E440-F445 HydrophobicContact CB-CB 4.47Å
441E93.6Very high85.1Confident71 Ų7158 Ų5833%0.33232%0.32SS..EExtended strand (participates in β ladder)trans-64.6132.7177.9-178.7-177160.800111.6V411 S443 L444 F445V411-E441 HydrophobicContact CG1-CG 3.92Å; E441-S443 VanDerWaalsContact C-N 3.29Å; E441-S443 PolarHBondContact O-N 3.03Å; E441-L444 HydrophobicContact CB-CB 4.23Å; E441-L444 PolarHBondContact O-N 3.26Å; E441-F445 WeakPolarHBondContact O-CB 3.32Å; E441-F445 PolarHBondContact O-N 2.92Å
442E94.1Very high87.6Confident46 Ų4652.7 Ų52.722%0.21530%0.296CS..Hα-helixtrans-56.9-42.2-175.8-68.5-175-157.100111.6H412 F414 F445 E446H412-E442 HydrophobicContact CB-CB 4.43Å; H412-E442 HydrophobicContact CB-CG 4.09Å; H412-E442 IonicContact ND1-OE1 3.71Å; H412-E442 PolarHBondContact O-N 3.08Å; F414-E442 HydrophobicContact CD1-CG 3.96Å; F414-E442 HydrophobicContact CD2-CB 4.16Å; F414-E442 HydrophobicContact CD2-CG 3.81Å; F414-E442 HydrophobicContact CE1-CG 3.83Å; F414-E442 HydrophobicContact CE2-CB 3.77Å; F414-E442 HydrophobicContact CE2-CG 3.67Å; F414-E442 HydrophobicContact CG-CG 3.93Å; F414-E442 HydrophobicContact CZ-CB 4.06Å; F414-E442 HydrophobicContact CZ-CG 3.68Å; E442-F445 PolarHBondContact O-N 3.14Å; E442-E446 VanDerWaalsContact O-CB 3.22Å; E442-E446 WeakPolarHBondContact O-CB 3.32Å; E442-E446 PolarHBondContact O-N 2.81Å
443S93.7Very high90Very high72 Ų7249.4 Ų49.450%0.50326%0.262SS..Hα-helixtrans-65.5-40.2179.1-177.70000113.9E441 A447E441-S443 VanDerWaalsContact C-N 3.29Å; E441-S443 PolarHBondContact O-N 3.03Å; S443-A447 WeakPolarHBondContact O-CB 3.48Å; S443-A447 PolarHBondContact O-N 2.87Å
444L93.9Very high92.1Very high5 Ų542.8 Ų42.83%0.02624%0.241CC..Hα-helixtrans-73.6-38.9179.1-179.458.5000111.3R381 M384 I385 K388 E441 A448R381-L444 HydrophobicContact CG-CD2 4.34Å; M384-L444 HydrophobicContact CB-CD1 4.15Å; M384-L444 HydrophobicContact CB-CD2 4.33Å; M384-L444 HydrophobicContact CB-CG 3.95Å; M384-L444 HydrophobicContact CE-CD2 3.9Å; M384-L444 HydrophobicContact CE-CG 4.19Å; M384-L444 HydrophobicContact SD-CD2 4.47Å; M384-L444 HydrophobicContact SD-CG 4.1Å; I385-L444 HydrophobicContact CG1-CD1 4.33Å; K388-L444 HydrophobicContact CD-CD1 3.76Å; E441-L444 HydrophobicContact CB-CB 4.23Å; E441-L444 PolarHBondContact O-N 3.26Å; L444-A448 PolarHBondContact O-N 3.37Å
445F96.5Very high93.8Very high0 Ų040.7 Ų40.70%024%0.235CC..Hα-helixtrans-70.5-40.7178.2-171.4-91.2000112.1M384 P399 I402 F414 I416 W418 E440 E441 E442 A447 A448 Y449 I452 V453M384-F445 HydrophobicContact SD-CB 4.1Å; M384-F445 HydrophobicContact SD-CD2 3.85Å; M384-F445 HydrophobicContact SD-CG 4.47Å; P399-F445 HydrophobicContact CB-CE2 4.1Å; P399-F445 HydrophobicContact CB-CZ 3.9Å; P399-F445 HydrophobicContact CG-CE2 4.08Å; P399-F445 HydrophobicContact CG-CZ 3.78Å; I402-F445 HydrophobicContact CD1-CD1 4.4Å; I402-F445 HydrophobicContact CD1-CE1 3.94Å; I402-F445 HydrophobicContact CG1-CE1 3.94Å; I402-F445 HydrophobicContact CG1-CZ 4.5Å; F414-F445 HydrophobicContact CD2-CB 4.16Å; F414-F445 AromaticContact CD2-CD1 3.79Å; F414-F445 HydrophobicContact CD2-CD1 3.79Å; F414-F445 HydrophobicContact CD2-CG 4.23Å; F414-F445 HydrophobicContact CE2-CD1 4.3Å; I416-F445 HydrophobicContact CB-CE2 4.41Å; I416-F445 HydrophobicContact CD1-CD1 4Å; I416-F445 HydrophobicContact CD1-CD2 3.82Å; I416-F445 HydrophobicContact CD1-CE1 3.73Å; I416-F445 HydrophobicContact CD1-CE2 3.53Å; I416-F445 HydrophobicContact CD1-CG 4.05Å; I416-F445 HydrophobicContact CD1-CZ 3.48Å; I416-F445 VanDerWaalsContact CD1-CZ 3.48Å; I416-F445 HydrophobicContact CG1-CD2 3.82Å; I416-F445 HydrophobicContact CG1-CE2 3.65Å; I416-F445 HydrophobicContact CG1-CG 4.43Å; I416-F445 HydrophobicContact CG1-CZ 4.13Å; I416-F445 HydrophobicContact CG2-CE2 3.87Å; I416-F445 HydrophobicContact CG2-CZ 4.19Å; W418-F445 HydrophobicContact CH2-CE2 4.03Å; W418-F445 HydrophobicContact CZ2-CE2 4.2Å; E440-F445 HydrophobicContact CB-CB 4.47Å; E441-F445 WeakPolarHBondContact O-CB 3.32Å; E441-F445 PolarHBondContact O-N 2.92Å; E442-F445 PolarHBondContact O-N 3.14Å; F445-A447 VanDerWaalsContact C-N 3.33Å; F445-A447 PolarHBondContact O-N 3.18Å; F445-A448 PolarHBondContact O-N 3.5Å; F445-A448 VanDerWaalsContact O-N 3.11Å; F445-Y449 AromaticContact CD2-CD2 3.85Å; F445-Y449 HydrophobicContact CD2-CD2 3.85Å; F445-Y449 HydrophobicContact CD2-CE2 4.43Å; F445-Y449 AromaticContact CE2-CD2 3.51Å; F445-Y449 HydrophobicContact CE2-CD2 3.51Å; F445-Y449 HydrophobicContact CE2-CE2 4.11Å; F445-Y449 HydrophobicContact CE2-CG 4.14Å; F445-Y449 HydrophobicContact CG-CD2 4.49Å; F445-Y449 AromaticContact CZ-CD2 3.9Å; F445-Y449 HydrophobicContact CZ-CD2 3.9Å; F445-Y449 HydrophobicContact CZ-CG 4.06Å; F445-Y449 PolarHBondContact O-N 3.09Å; F445-I452 HydrophobicContact CE1-CB 4.35Å; F445-I452 HydrophobicContact CE1-CG2 4.34Å; F445-I452 HydrophobicContact CZ-CG2 4.41Å; F445-V453 HydrophobicContact CD1-CG2 3.68Å; F445-V453 HydrophobicContact CE1-CG2 3.94Å
446E96.2Very high94.9Very high89 Ų8940.2 Ų40.242%0.41623%0.225SC..Hα-helixtrans-63.7-35.8175.6-173.8168.8-127.800112.5E442 A448 P450 V453 Q457E442-E446 VanDerWaalsContact O-CB 3.22Å; E442-E446 WeakPolarHBondContact O-CB 3.32Å; E442-E446 PolarHBondContact O-N 2.81Å; E446-A448 VanDerWaalsContact C-N 3.28Å; E446-A448 PolarHBondContact O-N 3.07Å; E446-P450 WeakPolarHBondContact O-CA 3.45Å; E446-P450 WeakPolarHBondContact O-CB 3.36Å; E446-P450 WeakPolarHBondContact O-CD 3.37Å; E446-V453 HydrophobicContact CB-CG2 4.07Å; E446-V453 HydrophobicContact CG-CB 4.39Å; E446-V453 HydrophobicContact CG-CG1 4.16Å; E446-V453 HydrophobicContact CG-CG2 4.33Å; E446-V453 WeakPolarHBondContact OE1-CG1 3.4Å; E446-Q457 PolarHBondContact OE1-NE2 3.5Å
447A95.5Very high95.1Very high45 Ų4543.9 Ų43.937%0.37224%0.241SC..Hα-helixtrans-68.2-24.5173.100000113.8K388 S443 F445K388-A447 HydrophobicContact CB-CB 4.23Å; K388-A447 HydrophobicContact CD-CB 4.14Å; K388-A447 HydrophobicContact CG-CB 4.02Å; S443-A447 WeakPolarHBondContact O-CB 3.48Å; S443-A447 PolarHBondContact O-N 2.87Å; F445-A447 VanDerWaalsContact C-N 3.33Å; F445-A447 PolarHBondContact O-N 3.18Å
448A95.6Very high95.2Very high0 Ų046.3 Ų46.30%025%0.248CC..Hα-helixtrans-97.3-37.6-175.900000114M384 R387 R392 L444 F445 E446 P450M384-A448 HydrophobicContact CB-CB 3.87Å; M384-A448 HydrophobicContact CG-CB 3.73Å; R387-A448 HydrophobicContact CB-CB 3.9Å; R392-A448 PolarHBondContact NH2-O 3.17Å; L444-A448 PolarHBondContact O-N 3.37Å; F445-A448 PolarHBondContact O-N 3.5Å; F445-A448 VanDerWaalsContact O-N 3.11Å; E446-A448 VanDerWaalsContact C-N 3.28Å; E446-A448 PolarHBondContact O-N 3.07Å; A448-P450 VanDerWaalsContact C-CD 3.5Å
449Y96.3Very high95.1Very high1 Ų150.8 Ų50.80%0.00427%0.269CS..  trans-134.554.6-175.3-55.1-87.8000112M384 R387 L397 P399 W418 F445 E451 I452 V453M384-Y449 HydrophobicContact CG-CD2 4.43Å; M384-Y449 HydrophobicContact CG-CE2 3.8Å; R387-Y449 VanDerWaalsContact NH1-CD1 3.31Å; L397-Y449 PolarHBondContact O-OH 3.41Å; P399-Y449 VanDerWaalsContact CD-CD1 3.47Å; P399-Y449 HydrophobicContact CG-CD1 3.51Å; P399-Y449 HydrophobicContact CG-CD2 4.22Å; P399-Y449 HydrophobicContact CG-CE1 3.78Å; P399-Y449 HydrophobicContact CG-CE2 4.47Å; P399-Y449 HydrophobicContact CG-CG 3.77Å; W418-Y449 AromaticContact CH2-CE2 3.86Å; W418-Y449 HydrophobicContact CH2-CE2 3.86Å; W418-Y449 HydrophobicContact CZ3-CE2 4.11Å; W418-Y449 AromaticContact CZ3-CZ 3.95Å; F445-Y449 AromaticContact CD2-CD2 3.85Å; F445-Y449 HydrophobicContact CD2-CD2 3.85Å; F445-Y449 HydrophobicContact CD2-CE2 4.43Å; F445-Y449 AromaticContact CE2-CD2 3.51Å; F445-Y449 HydrophobicContact CE2-CD2 3.51Å; F445-Y449 HydrophobicContact CE2-CE2 4.11Å; F445-Y449 HydrophobicContact CE2-CG 4.14Å; F445-Y449 HydrophobicContact CG-CD2 4.49Å; F445-Y449 AromaticContact CZ-CD2 3.9Å; F445-Y449 HydrophobicContact CZ-CD2 3.9Å; F445-Y449 HydrophobicContact CZ-CG 4.06Å; F445-Y449 PolarHBondContact O-N 3.09Å; Y449-E451 PolarHBondContact O-N 3.26Å; Y449-E451 VanDerWaalsContact O-N 3.15Å; Y449-I452 PolarHBondContact O-N 2.64Å; Y449-V453 PolarHBondContact O-N 3.36Å
450P96.1Very high94.9Very high57 Ų5752.4 Ų52.437%0.3727%0.274SS..Hα-helixtrans-57.6-32-176.823.9-33.9000112.6E446 A448 I452 V453 A454E446-P450 WeakPolarHBondContact O-CA 3.45Å; E446-P450 WeakPolarHBondContact O-CB 3.36Å; E446-P450 WeakPolarHBondContact O-CD 3.37Å; A448-P450 VanDerWaalsContact C-CD 3.5Å; P450-I452 VanDerWaalsContact C-N 3.31Å; P450-I452 PolarHBondContact O-N 3.09Å; P450-V453 PolarHBondContact O-N 3.22Å; P450-A454 WeakPolarHBondContact O-CB 3.45Å; P450-A454 PolarHBondContact O-N 2.87Å
451E95.7Very high94.7Very high75 Ų7557.6 Ų57.635%0.3530%0.301SS..Hα-helixtrans-57.2-38.4174.558.7-80.7-176.600113.5R392 Y449 I455R392-E451 IonicContact NH1-OE1 3.86Å; R392-E451 PolarHBondContact NH1-OE1 2.69Å; R392-E451 IonicContact NH1-OE2 2.74Å; R392-E451 IonicContact NH2-OE1 2.97Å; R392-E451 IonicContact NH2-OE2 3.27Å; Y449-E451 PolarHBondContact O-N 3.26Å; Y449-E451 VanDerWaalsContact O-N 3.15Å; E451-I455 WeakPolarHBondContact O-CD1 3.43Å; E451-I455 WeakPolarHBondContact O-CG1 3.24Å; E451-I455 PolarHBondContact O-N 3.4Å
452I96.1Very high94.7Very high35 Ų3558.1 Ų58.118%0.17930%0.304CS..Hα-helixtrans-78.8-38.4-179.6-53.8-56.4000110.9P399 I402 F445 Y449 P450 A454 I455 Y456P399-I452 HydrophobicContact CG-CG1 4.13Å; I402-I452 HydrophobicContact CD1-CG2 4.26Å; I402-I452 HydrophobicContact CG1-CG2 4.22Å; F445-I452 HydrophobicContact CE1-CB 4.35Å; F445-I452 HydrophobicContact CE1-CG2 4.34Å; F445-I452 HydrophobicContact CZ-CG2 4.41Å; Y449-I452 PolarHBondContact O-N 2.64Å; P450-I452 VanDerWaalsContact C-N 3.31Å; P450-I452 PolarHBondContact O-N 3.09Å; I452-A454 VanDerWaalsContact C-N 3.34Å; I452-I455 PolarHBondContact O-N 2.89Å; I452-Y456 PolarHBondContact O-N 2.93Å
453V96.1Very high94.4Very high1 Ų160.5 Ų60.51%0.00632%0.317CS..Hα-helixtrans-61.7-43.5174.1177.60000110.6I402 F414 F445 E446 Y449 P450 I455 Y456 Q457I402-V453 HydrophobicContact CD1-CB 4.47Å; I402-V453 HydrophobicContact CD1-CG2 3.97Å; F414-V453 HydrophobicContact CE2-CG1 4.41Å; F414-V453 HydrophobicContact CE2-CG2 3.87Å; F414-V453 HydrophobicContact CZ-CG1 4.3Å; F414-V453 HydrophobicContact CZ-CG2 4.48Å; F445-V453 HydrophobicContact CD1-CG2 3.68Å; F445-V453 HydrophobicContact CE1-CG2 3.94Å; E446-V453 HydrophobicContact CB-CG2 4.07Å; E446-V453 HydrophobicContact CG-CB 4.39Å; E446-V453 HydrophobicContact CG-CG1 4.16Å; E446-V453 HydrophobicContact CG-CG2 4.33Å; E446-V453 WeakPolarHBondContact OE1-CG1 3.4Å; Y449-V453 PolarHBondContact O-N 3.36Å; P450-V453 PolarHBondContact O-N 3.22Å; V453-I455 PolarHBondContact O-N 3.36Å; V453-Y456 PolarHBondContact O-N 3.03Å; V453-Q457 HydrophobicContact CG1-CG 4.15Å; V453-Q457 VanDerWaalsContact CG1-NE2 3.35Å; V453-Q457 WeakPolarHBondContact O-CB 3.45Å; V453-Q457 WeakPolarHBondContact O-CG 3.34Å; V453-Q457 PolarHBondContact O-N 3.28Å
454A96Very high93.9Very high59 Ų5963.4 Ų63.449%0.48832%0.32SS..Hα-helixtrans-60.1-42.1176.500000112.8P450 I452 Q457 K458P450-A454 WeakPolarHBondContact O-CB 3.45Å; P450-A454 PolarHBondContact O-N 2.87Å; I452-A454 VanDerWaalsContact C-N 3.34Å; A454-Q457 PolarHBondContact O-N 3.34Å; A454-K458 WeakPolarHBondContact O-CB 3.36Å; A454-K458 PolarHBondContact O-N 3.05Å
455I95.8Very high93.3Very high92 Ų9264.5 Ų64.547%0.47233%0.333SS..Hα-helixtrans-61.8-46.5175-68.5164.7000110.8E451 I452 V453 K458 Q459E451-I455 WeakPolarHBondContact O-CD1 3.43Å; E451-I455 WeakPolarHBondContact O-CG1 3.24Å; E451-I455 PolarHBondContact O-N 3.4Å; I452-I455 PolarHBondContact O-N 2.89Å; V453-I455 PolarHBondContact O-N 3.36Å; I455-K458 PolarHBondContact O-N 2.86Å; I455-Q459 WeakPolarHBondContact O-CG 3.37Å; I455-Q459 PolarHBondContact O-N 3.2Å
456Y95.1Very high92.4Very high33 Ų3370.7 Ų70.713%0.12936%0.36CS..Hα-helixtrans-65.5-42.4178.8-179.8-105.4000112.6I402 T405 F414 I452 V453 K458 Q459 K460I402-Y456 HydrophobicContact CB-CD1 4.33Å; I402-Y456 HydrophobicContact CB-CD2 3.76Å; I402-Y456 HydrophobicContact CB-CE2 4.28Å; I402-Y456 HydrophobicContact CB-CG 3.81Å; I402-Y456 HydrophobicContact CD1-CD1 4.1Å; I402-Y456 HydrophobicContact CD1-CG 3.93Å; I402-Y456 HydrophobicContact CG1-CG 4.49Å; I402-Y456 HydrophobicContact CG2-CD1 3.87Å; I402-Y456 HydrophobicContact CG2-CD2 3.67Å; I402-Y456 HydrophobicContact CG2-CE1 3.9Å; I402-Y456 HydrophobicContact CG2-CE2 3.7Å; I402-Y456 HydrophobicContact CG2-CG 3.77Å; T405-Y456 HydrophobicContact CG2-CE1 4.16Å; T405-Y456 PolarHBondContact N-OH 3.4Å; F414-Y456 HydrophobicContact CD1-CE1 4.48Å; F414-Y456 HydrophobicContact CE1-CD1 4.2Å; F414-Y456 HydrophobicContact CE1-CE1 4.1Å; I452-Y456 PolarHBondContact O-N 2.93Å; V453-Y456 PolarHBondContact O-N 3.03Å; Y456-K458 PolarHBondContact O-N 3.11Å; Y456-Q459 PolarHBondContact O-N 3.36Å; Y456-K460 HydrophobicContact CE1-CD 4.12Å; Y456-K460 WeakPolarHBondContact O-CB 3.44Å; Y456-K460 PolarHBondContact O-N 3.46Å
457Q94.2Very high91.2Very high93 Ų9373.6 Ų73.644%0.43537%0.371SS..Hα-helixtrans-61.1-42.9174.5-72-174.321.100111.4E446 V453 A454 K460 L461E446-Q457 PolarHBondContact OE1-NE2 3.5Å; V453-Q457 HydrophobicContact CG1-CG 4.15Å; V453-Q457 VanDerWaalsContact CG1-NE2 3.35Å; V453-Q457 WeakPolarHBondContact O-CB 3.45Å; V453-Q457 WeakPolarHBondContact O-CG 3.34Å; V453-Q457 PolarHBondContact O-N 3.28Å; A454-Q457 PolarHBondContact O-N 3.34Å; Q457-K460 WeakPolarHBondContact O-CB 3.45Å; Q457-K460 PolarHBondContact O-N 2.98Å; Q457-L461 WeakPolarHBondContact O-CG 3.33Å; Q457-L461 PolarHBondContact O-N 2.88Å
458K94Very high89.5Confident132 Ų13278.2 Ų78.257%0.57439%0.385SS*.Hα-helixtrans-58.3-49.1174179.8-177.3173.3-1760111.8A454 I455 Y456 K460 L461 E462A454-K458 WeakPolarHBondContact O-CB 3.36Å; A454-K458 PolarHBondContact O-N 3.05Å; I455-K458 PolarHBondContact O-N 2.86Å; Y456-K458 PolarHBondContact O-N 3.11Å; K458-K460 VanDerWaalsContact C-N 3.3Å; K458-K460 PolarHBondContact O-N 3.08Å; K458-L461 PolarHBondContact O-N 3.14Å; K458-E462 WeakPolarHBondContact CE-OE1 3.34Å; K458-E462 PolarHBondContact O-N 3.46Å
459Q93Very high87.7Confident101 Ų10187.3 Ų87.347%0.47243%0.425SS..Hα-helixtrans-58.9-41.5176.4-69172.98.100111.8I455 Y456 L461 E462 I463I455-Q459 WeakPolarHBondContact O-CG 3.37Å; I455-Q459 PolarHBondContact O-N 3.2Å; Y456-Q459 PolarHBondContact O-N 3.36Å; Q459-L461 PolarHBondContact O-N 3.07Å; Q459-E462 PolarHBondContact O-N 2.84Å; Q459-I463 VanDerWaalsContact O-CG1 3.28Å; Q459-I463 WeakPolarHBondContact O-CG1 3.37Å; Q459-I463 PolarHBondContact O-N 2.67Å
460K91.1Very high85.7Confident85 Ų8598 Ų9837%0.3747%0.465SS..Hα-helixtrans-64.1-36.7177.2-164.1169.4-177.2172.80112.2Y456 Q457 K458 K464Y456-K460 HydrophobicContact CE1-CD 4.12Å; Y456-K460 WeakPolarHBondContact O-CB 3.44Å; Y456-K460 PolarHBondContact O-N 3.46Å; Q457-K460 WeakPolarHBondContact O-CB 3.45Å; Q457-K460 PolarHBondContact O-N 2.98Å; K458-K460 VanDerWaalsContact C-N 3.3Å; K458-K460 PolarHBondContact O-N 3.08Å; K460-K464 WeakPolarHBondContact O-CG 3.34Å; K460-K464 PolarHBondContact O-N 3.11Å; K460-K464 VanDerWaalsContact O-N 3.15Å
461L91Very high83.7Confident117 Ų117102 Ų10261%0.61348%0.482SS*.Hα-helixtrans-69.5-44.5172.5-71.7170.9000112.2Q457 K458 Q459 I463 K464 G465Q457-L461 WeakPolarHBondContact O-CG 3.33Å; Q457-L461 PolarHBondContact O-N 2.88Å; K458-L461 PolarHBondContact O-N 3.14Å; Q459-L461 PolarHBondContact O-N 3.07Å; L461-I463 VanDerWaalsContact C-N 3.31Å; L461-I463 PolarHBondContact O-N 3.42Å; L461-K464 WeakPolarHBondContact O-CB 3.34Å; L461-K464 PolarHBondContact O-N 2.86Å; L461-K464 VanDerWaalsContact O-N 3.17Å; L461-G465 PolarHBondContact O-N 3.1Å
462E92.4Very high81.5Confident82 Ų82107.7 Ų107.738%0.38351%0.505SS..Hα-helixtrans-59.3-41175.2-75.4-173.9-14700112.2K458 Q459 G465 K466K458-E462 WeakPolarHBondContact CE-OE1 3.34Å; K458-E462 PolarHBondContact O-N 3.46Å; Q459-E462 PolarHBondContact O-N 2.84Å; E462-G465 PolarHBondContact O-N 3.08Å; E462-K466 VanDerWaalsContact O-CB 3.3Å; E462-K466 WeakPolarHBondContact O-CB 3.42Å; E462-K466 WeakPolarHBondContact O-CD 3.4Å; E462-K466 VanDerWaalsContact O-CG 3.25Å; E462-K466 WeakPolarHBondContact O-CG 3.16Å; E462-K466 PolarHBondContact O-N 3.26Å; E462-K466 IonicContact OE2-NZ 2.99Å; E462-K466 PolarHBondContact OE2-NZ 3.03Å
463I89Confident79.2Confident97 Ų97111.6 Ų111.650%0.49753%0.533SS..Hα-helixtrans-65-40.9176.1-69.4164.3000110.9Q459 L461 K467Q459-I463 VanDerWaalsContact O-CG1 3.28Å; Q459-I463 WeakPolarHBondContact O-CG1 3.37Å; Q459-I463 PolarHBondContact O-N 2.67Å; L461-I463 VanDerWaalsContact C-N 3.31Å; L461-I463 PolarHBondContact O-N 3.42Å; I463-K467 WeakPolarHBondContact O-CG 3.41Å; I463-K467 PolarHBondContact O-N 3.49Å
464K83.3Confident76.6Confident132 Ų132120.8 Ų120.857%0.57457%0.573SS**Hα-helixtrans-61.2-48.1173-77.9-178.1174.5-173.60111.6K460 L461 K466 K467 Q468K460-K464 WeakPolarHBondContact O-CG 3.34Å; K460-K464 PolarHBondContact O-N 3.11Å; K460-K464 VanDerWaalsContact O-N 3.15Å; L461-K464 WeakPolarHBondContact O-CB 3.34Å; L461-K464 PolarHBondContact O-N 2.86Å; L461-K464 VanDerWaalsContact O-N 3.17Å; K464-K466 PolarHBondContact O-N 2.9Å; K464-K467 PolarHBondContact O-N 3.36Å; K464-Q468 PolarHBondContact O-N 3.41Å
465G80Confident74Confident28 Ų28126.9 Ų126.929%0.28959%0.591SS.*Hα-helixtrans-63.3-40.1178.100000113.4L461 E462 K467 Q468 K469L461-G465 PolarHBondContact O-N 3.1Å; E462-G465 PolarHBondContact O-N 3.08Å; G465-K467 VanDerWaalsContact C-N 3.35Å; G465-K467 PolarHBondContact O-N 3.11Å; G465-Q468 PolarHBondContact O-N 3.34Å; G465-K469 PolarHBondContact O-N 2.92Å
466K77.9Confident71.2Confident131 Ų131128.7 Ų128.757%0.5760%0.602SS**Hα-helixtrans-64.2-36.1173.6-75.3161.9178.2157.70111.9E462 K464 R470E462-K466 VanDerWaalsContact O-CB 3.3Å; E462-K466 WeakPolarHBondContact O-CB 3.42Å; E462-K466 WeakPolarHBondContact O-CD 3.4Å; E462-K466 VanDerWaalsContact O-CG 3.25Å; E462-K466 WeakPolarHBondContact O-CG 3.16Å; E462-K466 PolarHBondContact O-N 3.26Å; E462-K466 IonicContact OE2-NZ 2.99Å; E462-K466 PolarHBondContact OE2-NZ 3.03Å; K464-K466 PolarHBondContact O-N 2.9Å; K466-R470 PolarHBondContact O-N 3.07Å
467K71Confident68.4Low149 Ų149134.5 Ų134.565%0.64864%0.635SS**Hα-helixtrans-68.6-43.7172.2-75.8-174.8177.5-170.60112.5I463 K464 G465 R470I463-K467 WeakPolarHBondContact O-CG 3.41Å; I463-K467 PolarHBondContact O-N 3.49Å; K464-K467 PolarHBondContact O-N 3.36Å; G465-K467 VanDerWaalsContact C-N 3.35Å; G465-K467 PolarHBondContact O-N 3.11Å; K467-R470 PolarHBondContact O-N 2.79Å
468Q60.7Low65.7Low143 Ų143136.7 Ų136.767%0.66865%0.649SS**Hα-helixtrans-64-40.8176.5-73.8172.4-33.300112.3K464 G465 R470 I471K464-Q468 PolarHBondContact O-N 3.41Å; G465-Q468 PolarHBondContact O-N 3.34Å; Q468-R470 PolarHBondContact O-N 2.84Å; Q468-I471 PolarHBondContact O-N 3.29Å
469K57.9Low63Low191 Ų191136.4 Ų136.483%0.8366%0.661SS**THydrogen-bonded Turntrans-65.2-14.1174.9-76.2-168.8176.4-171.20114.6G465 I471G465-K469 PolarHBondContact O-N 2.92Å; K469-I471 VanDerWaalsContact C-N 3.34Å
470R53.4Low60.1Low226 Ų226139.3 Ų139.385%0.85367%0.674SS**THydrogen-bonded Turntrans-86.62.5171-92.5-171.2170.2-167.4-3114K466 K467 Q468K466-R470 PolarHBondContact O-N 3.07Å; K467-R470 PolarHBondContact O-N 2.79Å; Q468-R470 PolarHBondContact O-N 2.84Å
471I54.7Low58.7Low139 Ų139139.6 Ų139.671%0.71369%0.685SS**  trans-12284.4177.7-51.8177.3000109.1Q468 K469Q468-I471 PolarHBondContact O-N 3.29Å; K469-I471 VanDerWaalsContact C-N 3.34Å
472K49.4Very low55.7Low196 Ų196141.1 Ų141.185%0.85269%0.693SS**  trans-140.4162.5163.3-98.7-157.1173.9-167.10109.5
473P47Very low52.8Low116 Ų116145.4 Ų145.475%0.75371%0.713SS**  -80.1167-127.729.5-37.3000115.3E475P473-E475 PolarHBondContact O-N 3.15Å
474K41.6Very low50.1Low194 Ų194146.7 Ų146.784%0.84373%0.726SS**  trans-71.4115.2170.2-157.4-179.9-174-172.60108.6
475E41.2Very low47.9Very low188 Ų188148.2 Ų148.288%0.87974%0.737SS**  trans-85.2135.7179.5-167.6163-117.400109.9P473P473-E475 PolarHBondContact O-N 3.15Å
476N38Very low45.6Very low130 Ų130151.2 Ų151.270%0.69575%0.754SS**  trans-128.6106.8-179-100.618.2000109.7
477N35.4Very low43.3Very low154 Ų154153.9 Ų153.982%0.82477%0.765SS**  trans64.1126.7156.7-57.7-10.9000120
478L37.1Very low41.5Very low140 Ų140154.4 Ų154.473%0.73377%0.77SS**  trans-61.8163.3158.5-139.577.3000110.8E480L478-E480 HydrophobicContact CD2-CB 4.09Å; L478-E480 HydrophobicContact CD2-CG 4.5Å
479P37.5Very low40.5Very low126 Ų126151.6 Ų151.682%0.81877%0.767SS**  -136.9150.48238.2-25.7000115.9
480E33.2Very low39.3Very low161 Ų161151.1 Ų151.175%0.75277%0.767SS**  trans-90175.7158.2-103.7-172.7-147.700109.6L478L478-E480 HydrophobicContact CD2-CB 4.09Å; L478-E480 HydrophobicContact CD2-CG 4.5Å
481P60.3Low38.2Very low91 Ų91149 Ų14959%0.59177%0.769SS**  cis-128.6177.711.635.9-16.1000115
482D27.7Very low37.3Very low149 Ų149148.1 Ų148.180%0.79777%0.77SS**  169.1163.4106.6-98-37.2000115.7
483E31.6Very low36.5Very low172 Ų172146.7 Ų146.780%0.80477%0.771SS**  trans66.598.3160.9-72.4-173.3172.600123.5
484V32.9Very low36.1Very low125 Ų125150 Ų15076%0.75877%0.773SS**  61.8106.4109.9176.60000121.1
485M36.3Very low36Very low163 Ų163147 Ų14780%0.80377%0.774SS**  trans67.1133.5137.1-69.7-76.2-77.500123.8
486S31.9Very low35.7Very low92 Ų92144 Ų14464%0.64377%0.769SS**  trans74.2154.9152.481.50000117.6
487F30.4Very low35.2Very low186 Ų186143.2 Ų143.282%0.81677%0.772SS**  cis-133176.79-110.8-76.2000113.1
488Q32.8Very low35.4Very low160 Ų160144.3 Ų144.375%0.74877%0.772SS**  trans-76.1-179.6171.6-55.5156.1-67.900110.3
489S39.1Very low35.2Very low85 Ų85144.2 Ų144.259%0.59477%0.771SS**  cis-169.5147.418.6-9.10000112.4
490H34.7Very low34.9Very low181 Ų181147 Ų14784%0.83877%0.771SS**  trans61.1161.5149.2-52.1-47.6000118.8
491M29.2Very low34.7Very low181 Ų181146.4 Ų146.489%0.89277%0.767SS**  cis-135.8165.512.5-124.7-160.1-178.500113.2
492T35.1Very low33.4Very low121 Ų121149.4 Ų149.474%0.74277%0.771SS**  trans-130.6130.7174.5-30.10000106.9
493L32.4Very low33.8Very low165 Ų165149 Ų14986%0.86476%0.764SS**  -178.3172.992.1-90.6167.1000112
494K39.6Very low33.7Very low186 Ų186147.4 Ų147.481%0.80976%0.761SS**  trans-76.5168.8-178.4-49.4174.2-175.5175.30112.7
495P39.2Very low33.9Very low131 Ų131145 Ų14585%0.85175%0.75SS**  -144.8-167.394.940-24.3000114.9
496T35.4Very low33.6Very low126 Ų126145.5 Ų145.577%0.77375%0.748SS**  trans-130.7168.3-174-33.70000111.4
497C27.9Very low33.5Very low112 Ų112148.3 Ų148.376%0.75776%0.755SS**  trans101.199.2160.4-57.10000119.8
498E38.9Very low33.3Very low178 Ų178147.9 Ų147.983%0.83275%0.753SS**  52152.4126.6-65-166.8173.900126.2
499I32.9Very low33.1Very low137 Ų137148.5 Ų148.570%0.70376%0.76SS**  trans91.5103.2154.9-74.8155.2000120.6
500F30.8Very low32.3Very low186 Ų186147.6 Ų147.682%0.81676%0.764SS**  trans51.4149144.7-70.6-89000121.5
501H28.8Very low31.9Very low147 Ų147147.4 Ų147.468%0.68177%0.767SS**  -169.9162.759.9-144.829000114.8
502K32.9Very low31.7Very low154 Ų154143.6 Ų143.667%0.6776%0.759SS**  trans22.3158.1143.4-78.3-171.4173.7172.30122.9
503Q37.8Very low32.3Very low141 Ų141142.9 Ų142.966%0.65976%0.756SS**  cis177.2167.1-11.6-175.2171.718.200108.5
504N28.4Very low32Very low139 Ų139141.9 Ų141.974%0.74375%0.752SS**  trans-177.4131.6138.6-92.6-39.3000110.5
505S36.8Very low31.3Very low74 Ų74138 Ų13852%0.51775%0.748SS.*  81.6130.661101.30000111.9
506K31.1Very low30.6Very low173 Ų173136.5 Ų136.575%0.75275%0.747SS**  cis-160.4174.423.1-84.5131-172.4140.50108.3
507L30.1Very low30.1Very low151 Ų151138.7 Ų138.779%0.79175%0.753SS**  cis-169176.5-5.6-117.8173.2000112
508K24.8Very low30.6Very low178 Ų178138.1 Ų138.177%0.77475%0.748SS**  trans76.3113.4152.6-78.5-170.7176.4-176.10123.4
509L29Very low30Very low172 Ų172138.1 Ų138.190%0.90175%0.748SS**  trans49.6132.1135.4-83.378.1000123.2
510G21.5Very low29.7Very low67 Ų67138.9 Ų138.969%0.69175%0.748SS**  145.1108.8119.400000121
511I27.4Very low29.5Very low176 Ų176135.5 Ų135.590%0.90375%0.748SS**  trans74151.2135.3-60.2172.3000120.4
512S25.3Very low29.4Very low102 Ų102134.4 Ų134.471%0.71375%0.746SS**  trans-140.3148.5167174.90000105.2
513P47.7Very low29.2Very low106 Ų106137.9 Ų137.969%0.68876%0.756SS**  cis-148.4-157.439.240.9-17.4000116
514D24.6Very low28.7Very low143 Ų143134.4 Ų134.477%0.76575%0.751SS**  trans102173.6141.6-115.7-56.7000121.6
515S26Very low28.7Very low106 Ų106132.8 Ų132.874%0.74175%0.751SS**  trans-120155.2-135.854.70000116.4
516A24.5Very low28.4Very low98 Ų98135.8 Ų135.881%0.8176%0.761SS**  trans-160.2121.4156.400000113
517L25.7Very low28.2Very low172 Ų172134.2 Ų134.290%0.90176%0.761SS**  trans-108.5-179.5150-68.3172.5000106.5
518P38.5Very low28Very low101 Ų101130.9 Ų130.966%0.65675%0.75SS**  cis-134.5-178.7-0.541.8-24.7000114.7
519Q26.1Very low28.2Very low178 Ų178129.3 Ų129.383%0.83275%0.749SS**  trans159.1116.5133.5-88.2-177.3-24.500108.3
520E25Very low28Very low152 Ų152127.5 Ų127.571%0.7174%0.74SS**  84.987.450.5-70.4-160.3127.500115.7
521S26.5Very low28.2Very low115 Ų115132.1 Ų132.180%0.80475%0.748SS**  178.1113.5125.332.20000107.7
522I28.4Very low28.4Very low125 Ų125129.2 Ų129.264%0.64174%0.741SS**  75.992.750.4-55.3170.9000112.8A524I522-A524 HydrophobicContact CG2-CB 4.34Å
523Y27.6Very low28.4Very low226 Ų226133.9 Ų133.989%0.88675%0.748SS**  -153.3102.3122.9-106.4-81.8000105.9
524A26.9Very low27.3Very low68 Ų68135.7 Ų135.756%0.56276%0.757SS**  64.5107.162.100000111.4I522I522-A524 HydrophobicContact CG2-CB 4.34Å
525S28.7Very low27.4Very low106 Ų106134.7 Ų134.774%0.74176%0.756SS**  81.5135.866168.70000111.6
526L29.9Very low27.5Very low136 Ų136135.7 Ų135.771%0.71276%0.76SS**  cis-164.5172-3.1-112.2172.6000108.3
527N27.7Very low27.5Very low141 Ų141136.2 Ų136.275%0.75476%0.757SS**  148.4156.5117.1-77.9-56.9000114
528S27.2Very low27.5Very low81 Ų81135.7 Ų135.757%0.56675%0.754SS**  cis-178.6170.9-33.3-165.50000109.8
529L27.6Very low26.7Very low145 Ų145137.5 Ų137.576%0.75976%0.758SS**  trans69.1149.4163.2-49.7-175.7000116.7
530L26.2Very low26.6Very low133 Ų133135 Ų13570%0.69676%0.755SS**  cis-158.3145.9-6.1-124.2167.6000111.3
531L24.6Very low26.6Very low164 Ų164135.8 Ų135.886%0.85976%0.758SS**  trans-153.7136.4148.9-139.585.2000108.8
532P32.3Very low26.6Very low116 Ų116138.8 Ų138.875%0.75376%0.76SS**  trans-88.8160.1-171.433.6-35.1000115
533K25.9Very low26.4Very low200 Ų200141.4 Ų141.487%0.8777%0.769SS**  trans-93.2163.3174.5-51.6172.5-179.1176.70111.4
534T24.2Very low26.2Very low144 Ų144140.3 Ų140.388%0.88377%0.77SS**  -156.1146.512633.20000112.2
535T25.4Very low26.2Very low122 Ų122143.5 Ų143.575%0.74878%0.782SS**  trans-156.1143.6162.1-37.90000107.3
536P29.2Very low26Very low127 Ų127144.1 Ų144.183%0.82579%0.786SS**  trans-132.4159.1136.836.2-26000112.5
537C24.9Very low25.9Very low109 Ų109142.5 Ų142.574%0.73679%0.786SS**  trans-109.2-164-179.1-590000111.4
538L24.7Very low26.2Very low161 Ų161141.9 Ų141.984%0.84379%0.79SS**  trans82.5135.8-171.9-49.1170.9000112
539N22Very low26.2Very low139 Ų139149.2 Ų149.274%0.74381%0.805SS**  cis-149.8172.25-134.815.6000109.1
540V24.1Very low26.8Very low126 Ų126148 Ų14876%0.76481%0.805SS**  cis-141-121.610.260.20000111.9
541Q25.1Very low26.7Very low167 Ų167150.3 Ų150.378%0.7882%0.818SS**  trans-156.2144.3-164.5159.8-178.1-10.500108.9
542E25.2Very low26.7Very low178 Ų178146.6 Ų146.683%0.83281%0.811SS**  trans-171.5148138.3-111.9170.5-154.200113.8
543Q25.6Very low26.4Very low180 Ų180149 Ų14984%0.84182%0.815SS**  trans-119.8132.7164.6-67.4176.6-39.800106.9
544F23.9Very low26.4Very low204 Ų204147.3 Ų147.390%0.89581%0.811SS**  trans-154.9168153.4-102.4-62.2000112.7
545V25.7Very low26.5Very low134 Ų134148.3 Ų148.381%0.81281%0.809SS**  trans-109.7139.1-162.91740000110.9
546S25.1Very low26.4Very low119 Ų119151 Ų15183%0.83281%0.81SS**  trans-172.3153140.635.40000113.7
547S27.2Very low26.2Very low102 Ų102149.4 Ų149.471%0.71381%0.808SS**  trans-106.3157.4165-178.70000108.3
548P34.3Very low26.1Very low128 Ų128151.6 Ų151.683%0.83182%0.818SS**  -141.5170.8108.233.3-17.6000115.2
549R27Very low26.1Very low236 Ų236148.9 Ų148.989%0.89181%0.812SS**  trans-96.3170176.9-107.7-173.5174.6-177.1-0.9111.9
550P40.3Very low26.4Very low118 Ų118151.7 Ų151.777%0.76682%0.818SS**  trans-86.3171.4-165.436.1-38.5000114.7
551L23.8Very low26.4Very low182 Ų182151.5 Ų151.595%0.95382%0.822SS**  trans-124.2153166.2-103.7165.9000110.6
552A24.7Very low26.4Very low87 Ų87151.1 Ų151.172%0.71983%0.825SS**  trans-122162.4-175.900000111.4
553I26.1Very low26.3Very low165 Ų165150.5 Ų150.585%0.84683%0.825SS**  trans-127.2132.4167.9-63.3-178.9000108.7
554Q26.3Very low26.2Very low165 Ų165147 Ų14777%0.77182%0.821SS**  trans-107.6154.8172.5-67.3-177.8-13.200110.3
555I25.1Very low26.4Very low166 Ų166146.1 Ų146.185%0.85182%0.819SS**  trans-131.2136.7155.9-62.2-176.7000108.5
556K23.9Very low26.3Very low177 Ų177145.2 Ų145.277%0.7782%0.819SS**  trans-90.5130.1175.6-81.2177.4178.2176.20109.1
557A24.4Very low26.3Very low94 Ų94144.8 Ų144.878%0.77782%0.816SS**  81.2119.570.400000114.5
558V22.9Very low26.3Very low155 Ų155148.3 Ų148.394%0.93982%0.822SS**  trans-136.4156.3166.7178.30000106.8
559S26.5Very low25.8Very low105 Ų105147.8 Ų147.873%0.73482%0.818SS**  trans-144.7161.5-16659.20000115.7
560K27.6Very low25.9Very low198 Ų198142 Ų14286%0.86181%0.813SS**  trans71120167.8-66.7-175.1174.2-177.10120
561S23Very low25.2Very low122 Ų122142.6 Ų142.685%0.85382%0.816SS**  trans-147.3176.6130.458.90000109.1
562L25.1Very low25.3Very low158 Ų158138.9 Ų138.983%0.82781%0.805SS**  trans-134.7171.2-168.3-75.2134000111.8
563I24.7Very low25.7Very low165 Ų165140.5 Ų140.585%0.84681%0.811SS**  trans73.8142.3168.2-35.6-177.7000112
564S22.2Very low25.7Very low108 Ų108142.8 Ų142.876%0.75581%0.809SS**  cis-138.3164.815.5-162.90000113.5
565E28.1Very low25.9Very low184 Ų184141.1 Ų141.186%0.8681%0.805SS**  trans-73.6152.4152.8-58.5175.5119.200111.1
566S23.2Very low26.2Very low116 Ų116140.3 Ų140.381%0.81180%0.801SS**  trans-158.4134.3148.6550000113.8
567S25.1Very low26.5Very low110 Ų110136 Ų13677%0.76979%0.793SS**  trans-2.4136.3162.354.30000121.7
568Q27.8Very low26.9Very low176 Ų176136.7 Ų136.782%0.82279%0.787SS**PPolyproline II helixtrans-60.7154.5156.6-63.2-177.4-11.900112.9
569P24.3Very low27.8Very low116 Ų116133 Ų13375%0.75376%0.761SS**PPolyproline II helixtrans-97.7129.5140.533.7-26.4000110.6
570S27.9Very low28Very low114 Ų114131.4 Ų131.480%0.79776%0.755SS**PPolyproline II helixtrans-82.4132.817448.50000111.2
571T26.5Very low28.1Very low132 Ų132127.9 Ų127.981%0.8175%0.745SS**  trans-123.4129.5176.145.60000111.5
572S25.8Very low28.7Very low104 Ų104125.3 Ų125.373%0.72772%0.722SS**  trans-41.8134.2-172.856.70000116.6R574S572-R574 PolarHBondContact O-N 2.66Å
573S32.6Very low29.3Very low121 Ų121123.8 Ų123.885%0.84671%0.71SS**  trans-70.4121.6160.449.10000111.2
574R26.6Very low30Very low213 Ų213120.5 Ų120.580%0.80469%0.694SS**  trans-141.2127.2164.6-91.6-176.2172.4167.1-1.6111.9S572S572-R574 PolarHBondContact O-N 2.66Å
575N31.3Very low30.4Very low129 Ų129120 Ų12069%0.6969%0.69SS**  trans63.552.8153-54.8-3.4000119.1S577N575-S577 VanDerWaalsContact C-N 3.26Å
576I31.4Very low30.8Very low150 Ų150114.9 Ų114.977%0.76967%0.672SS**  trans-75.7-14.5161.3-68174000112.1V578I576-V578 VanDerWaalsContact C-N 3.28Å; I576-V578 PolarHBondContact O-N 3.48Å; I576-V578 VanDerWaalsContact O-N 3.13Å
577S29.2Very low31.8Very low86 Ų86110.2 Ų110.260%0.60164%0.637SS**THydrogen-bonded Turntrans-70.5-5.8-170.555.60000116.9N575N575-S577 VanDerWaalsContact C-N 3.26Å
578V34.1Very low32.6Very low108 Ų108108.2 Ų108.266%0.65562%0.618SS**THydrogen-bonded Turntrans-90.6-22.4-171.2-176.40000113.3I576I576-V578 VanDerWaalsContact C-N 3.28Å; I576-V578 PolarHBondContact O-N 3.48Å; I576-V578 VanDerWaalsContact O-N 3.13Å
579I39.7Very low33.7Very low77 Ų77100.7 Ų100.740%0.39558%0.582SS.*SBendtrans-87.5-24.1-175-62.1178.8000112.3P367 D581P367-I579 HydrophobicContact CG-CD1 4.36Å; I579-D581 PolarHBondContact O-N 3.42Å
580A31.4Very low34.6Very low72 Ų72100.8 Ų100.860%0.59557%0.573SS**THydrogen-bonded Turntrans-65.5-38.1-170.700000114.7L582A580-L582 VanDerWaalsContact C-N 3.31Å; A580-L582 PolarHBondContact O-N 3.34Å
581D30.1Very low35.2Very low124 Ų12496.6 Ų96.666%0.66355%0.547SS*.THydrogen-bonded Turntrans-82.6-0.5-170.3-70.1-36.2000114.8I579 H583 T586I579-D581 PolarHBondContact O-N 3.42Å; D581-H583 PolarHBondContact O-N 3.01Å; D581-T586 VanDerWaalsContact O-CG2 3.3Å; D581-T586 WeakPolarHBondContact O-CG2 3.47Å; D581-T586 PolarHBondContact O-OG1 3.48Å
582L34.5Very low35.9Very low68 Ų6890.8 Ų90.836%0.35651%0.511SS..  trans-81.147.7-177-78.1174.9000114.4R54 A580 T586R54-L582 PolarHBondContact NH2-O 3.41Å; R54-L582 VanDerWaalsContact NH2-O 3.08Å; A580-L582 VanDerWaalsContact C-N 3.31Å; A580-L582 PolarHBondContact O-N 3.34Å; L582-T586 WeakPolarHBondContact CA-OG1 3.49Å
583H38.7Very low36.5Very low127 Ų12786.6 Ų86.659%0.58848%0.482SS*.  trans-58.3159.3168.2-96.5-110.4000113.1D581 S585 T586D581-H583 PolarHBondContact O-N 3.01Å; H583-S585 PolarHBondContact O-N 3.18Å; H583-T586 PolarHBondContact N-OG1 3.07Å; H583-T586 PolarHBondContact O-N 3.3Å; H583-T586 PolarHBondContact O-OG1 3.1Å
584L38.5Very low36.5Very low96 Ų9686.8 Ų86.850%0.50347%0.468SS..THydrogen-bonded Turntrans-58.1-18.6176.6-70.9170.4000114.5F58 W589F58-L584 HydrophobicContact CB-CD2 4.48Å; F58-L584 HydrophobicContact CD1-CD2 3.61Å; F58-L584 HydrophobicContact CE1-CD2 3.94Å; F58-L584 HydrophobicContact CG-CD2 4.01Å; L584-W589 HydrophobicContact CD2-CZ2 4.48Å; L584-W589 PolarHBondContact O-NE1 2.87Å
585S32.3Very low36.8Very low96 Ų9680.6 Ų80.667%0.67146%0.457SS*.THydrogen-bonded Turntrans-85.6-14.8177.149.60000114.7H583H583-S585 PolarHBondContact O-N 3.18Å
586T35.3Very low36.6Very low78 Ų7881.7 Ų81.748%0.47946%0.463SS..SBendtrans-91.3-3.6175.956.60000112.9D581 L582 H583 D588D581-T586 VanDerWaalsContact O-CG2 3.3Å; D581-T586 WeakPolarHBondContact O-CG2 3.47Å; D581-T586 PolarHBondContact O-OG1 3.48Å; L582-T586 WeakPolarHBondContact CA-OG1 3.49Å; H583-T586 PolarHBondContact N-OG1 3.07Å; H583-T586 PolarHBondContact O-N 3.3Å; H583-T586 PolarHBondContact O-OG1 3.1Å; T586-D588 PolarHBondContact O-N 2.89Å
587I45.3Very low36.3Very low18 Ų1879.7 Ų79.79%0.09246%0.463CS..SBendtrans-77114.7167.4-60.1170.5000108.2F58 W589 T592F58-I587 HydrophobicContact CD2-CD1 4.36Å; I587-W589 HydrophobicContact CB-CD2 4.18Å; I587-W589 HydrophobicContact CB-CZ2 3.96Å; I587-W589 HydrophobicContact CD1-CH2 3.87Å; I587-W589 HydrophobicContact CD1-CZ2 3.51Å; I587-W589 HydrophobicContact CG1-CZ2 4.32Å; I587-W589 HydrophobicContact CG2-CD2 3.55Å; I587-W589 HydrophobicContact CG2-CE3 3.8Å; I587-W589 HydrophobicContact CG2-CG 4.03Å; I587-W589 HydrophobicContact CG2-CH2 4.08Å; I587-W589 HydrophobicContact CG2-CZ2 3.84Å; I587-W589 HydrophobicContact CG2-CZ3 4.06Å; I587-W589 PolarHBondContact O-N 3Å; I587-T592 HydrophobicContact CG2-CG2 4.46Å
588D41.2Very low36.2Very low67 Ų6781.6 Ų81.636%0.35847%0.473SS..  trans-67.780.1166.9171.917.5000109.8K43 T586 E590 G591K43-D588 WeakPolarHBondContact CD-OD2 3.36Å; K43-D588 IonicContact NZ-OD2 2.99Å; K43-D588 PolarHBondContact NZ-OD2 3.12Å; T586-D588 PolarHBondContact O-N 2.89Å; D588-E590 PolarHBondContact O-N 2.7Å; D588-E590 PolarHBondContact OD1-N 3.06Å; D588-G591 WeakPolarHBondContact O-CA 3.32Å; D588-G591 PolarHBondContact O-N 3.11Å; D588-G591 PolarHBondContact OD1-N 3.03Å; D588-G591 VanDerWaalsContact OD1-N 3.09Å
589W51.9Low35.8Very low18 Ų1881 Ų817%0.06848%0.48CS..G310 helixtrans-62-26.7-179.1-65.1105000112.6F58 M172 L584 I587 G591 T592F58-W589 HydrophobicContact CB-CH2 4.5Å; M172-W589 HydrophobicContact CB-CD2 4.13Å; M172-W589 HydrophobicContact CB-CE3 3.91Å; M172-W589 HydrophobicContact CB-CH2 4.43Å; M172-W589 HydrophobicContact CB-CZ3 4.08Å; M172-W589 HydrophobicContact CE-CH2 3.52Å; M172-W589 HydrophobicContact CE-CZ2 3.87Å; M172-W589 HydrophobicContact CE-CZ3 4.07Å; M172-W589 HydrophobicContact SD-CH2 4.01Å; M172-W589 HydrophobicContact SD-CZ3 3.97Å; L584-W589 HydrophobicContact CD2-CZ2 4.48Å; L584-W589 PolarHBondContact O-NE1 2.87Å; I587-W589 HydrophobicContact CB-CD2 4.18Å; I587-W589 HydrophobicContact CB-CZ2 3.96Å; I587-W589 HydrophobicContact CD1-CH2 3.87Å; I587-W589 HydrophobicContact CD1-CZ2 3.51Å; I587-W589 HydrophobicContact CG1-CZ2 4.32Å; I587-W589 HydrophobicContact CG2-CD2 3.55Å; I587-W589 HydrophobicContact CG2-CE3 3.8Å; I587-W589 HydrophobicContact CG2-CG 4.03Å; I587-W589 HydrophobicContact CG2-CH2 4.08Å; I587-W589 HydrophobicContact CG2-CZ2 3.84Å; I587-W589 HydrophobicContact CG2-CZ3 4.06Å; I587-W589 PolarHBondContact O-N 3Å; W589-G591 PolarHBondContact O-N 3.3Å; W589-T592 WeakPolarHBondContact CA-OG1 3.45Å; W589-T592 PolarHBondContact O-N 3.35Å; W589-T592 PolarHBondContact O-OG1 3.06Å
590E43.3Very low35.2Very low119 Ų11985.1 Ų85.156%0.55650%0.501SS*.G310 helixtrans-63.1-31.4173.2-63.4-179.8-17800111.1N173 K175 D588 T592N173-E590 VanDerWaalsContact ND2-CG 3.34Å; N173-E590 WeakPolarHBondContact ND2-CG 3.35Å; K175-E590 IonicContact NZ-OE1 2.67Å; K175-E590 PolarHBondContact NZ-OE1 3.38Å; D588-E590 PolarHBondContact O-N 2.7Å; D588-E590 PolarHBondContact OD1-N 3.06Å; E590-T592 VanDerWaalsContact C-N 3.3Å; E590-T592 PolarHBondContact O-N 2.89Å
591G39.5Very low34.8Very low26 Ų2690.1 Ų90.127%0.26851%0.512SS..G310 helixtrans-76.90.6170.600000116.4V41 D588 W589V41-G591 WeakPolarHBondContact CG1-O 3.34Å; V41-G591 WeakPolarHBondContact CG2-O 3.46Å; D588-G591 WeakPolarHBondContact O-CA 3.32Å; D588-G591 PolarHBondContact O-N 3.11Å; D588-G591 PolarHBondContact OD1-N 3.03Å; D588-G591 VanDerWaalsContact OD1-N 3.09Å; W589-G591 PolarHBondContact O-N 3.3Å
592T40.8Very low34.5Very low9 Ų995.1 Ų95.16%0.05552%0.521CS..G310 helixtrans-1184.8-171.567.90000116.2M44 I587 W589 E590M44-T592 HydrophobicContact CE-CG2 3.59Å; I587-T592 HydrophobicContact CG2-CG2 4.46Å; W589-T592 WeakPolarHBondContact CA-OG1 3.45Å; W589-T592 PolarHBondContact O-N 3.35Å; W589-T592 PolarHBondContact O-OG1 3.06Å; E590-T592 VanDerWaalsContact C-N 3.3Å; E590-T592 PolarHBondContact O-N 2.89Å
593S38.1Very low34Very low16 Ų1697.8 Ų97.811%0.11254%0.536CS..SBendtrans-124.5140.7-178-171.30000112S595S593-S595 PolarHBondContact O-N 3.36Å
594F33.9Very low33.3Very low125 Ų12597.8 Ų97.855%0.54855%0.545SS..  trans-7828.7178.6-90.4-78.5000115E37 T40 N596E37-F594 HydrophobicContact CB-CD2 4.42Å; E37-F594 HydrophobicContact CB-CE2 4.09Å; E37-F594 HydrophobicContact CG-CD2 3.92Å; E37-F594 HydrophobicContact CG-CE2 3.89Å; E37-F594 WeakPolarHBondContact OE1-CD2 3.38Å; T40-F594 HydrophobicContact CG2-CZ 4.09Å; F594-N596 VanDerWaalsContact C-N 3.27Å; F594-N596 PolarHBondContact O-N 3.13Å
595S32.7Very low32.6Very low83 Ų83101.4 Ų101.458%0.5856%0.557SS**  trans-79.264.4178.262.10000112.9S593S593-S595 PolarHBondContact O-N 3.36Å
596N26.5Very low32.3Very low152 Ų152102.4 Ų102.481%0.81356%0.564SS**  trans-128.2101.1174.8-89.9-58.9000112.1F594F594-N596 VanDerWaalsContact C-N 3.27Å; F594-N596 PolarHBondContact O-N 3.13Å
597S25.5Very low31.8Very low109 Ų109106.5 Ų106.576%0.76258%0.577SS**  trans-87150.8159.8-68.30000109.7A599S597-A599 PolarHBondContact O-N 3.2Å; S597-A599 VanDerWaalsContact O-N 3.11Å
598P26.7Very low30.8Very low125 Ų125109.3 Ų109.381%0.81261%0.611SS**  trans-67113.4-172.126-34.5000112.2I600P598-I600 PolarHBondContact O-N 3.25Å
599A25.7Very low30.1Very low97 Ų97113.3 Ų113.380%0.80263%0.631SS**PPolyproline II helixtrans-68118.9174.300000110.7S597 Q601S597-A599 PolarHBondContact O-N 3.2Å; S597-A599 VanDerWaalsContact O-N 3.11Å; A599-Q601 PolarHBondContact O-N 3.37Å
600I26.6Very low28.7Very low162 Ų162122.5 Ų122.583%0.83167%0.672SS**PPolyproline II helixtrans-65.9123.2175.4-64171.3000108.8P598 R602P598-I600 PolarHBondContact O-N 3.25Å; I600-R602 PolarHBondContact O-N 2.92Å; I600-R602 VanDerWaalsContact O-N 3.14Å
601Q24Very low27.7Very low177 Ų177121.2 Ų121.283%0.82768%0.676SS**PPolyproline II helixtrans-60.9116.1174.6-75.3-177.9-24.500110.6A599A599-Q601 PolarHBondContact O-N 3.37Å
602R24.1Very low27Very low229 Ų229127.7 Ų127.786%0.86470%0.699SS**  trans-113.798.7165-174.2176.8-68.1159-0.4107.8I600 T604I600-R602 PolarHBondContact O-N 2.92Å; I600-R602 VanDerWaalsContact O-N 3.14Å; R602-T604 PolarHBondContact O-N 3.23Å
603N23Very low26.2Very low125 Ų125132.5 Ų132.567%0.66873%0.728SS**  trans-60.6124.4-178.9-70-14.7000110.9
604T24.9Very low25.5Very low126 Ų126140 Ų14077%0.77376%0.762SS**  trans-127.6114163.6-53.60000106.8R602R602-T604 PolarHBondContact O-N 3.23Å
605F23.5Very low25.1Very low173 Ų173138.8 Ų138.876%0.75977%0.768SS**  trans-83.5134.4-180-82.9-92.2000111.1
606S25.2Very low24.7Very low116 Ų116142.2 Ų142.281%0.81178%0.775SS**  trans-146.779.4163.2620000110.2G608S606-G608 PolarHBondContact O-N 3.1Å
607H26.7Very low24.7Very low164 Ų164142.1 Ų142.176%0.75977%0.774SS**  trans-79.1112.8167.7-96.2-81.3000109.6
608G24.2Very low24.7Very low77 Ų77142.2 Ų142.279%0.79478%0.775SS**  trans-85.2123.7157.200000109.1S606S606-G608 PolarHBondContact O-N 3.1Å
609L24.6Very low24.7Very low152 Ų152140.6 Ų140.680%0.79677%0.772SS**  trans-116.9139.2172.6-107.4163.2000109
610K22.9Very low24.9Very low211 Ų211144.2 Ų144.292%0.91778%0.776SS**  trans-133.4119.6168.7-89.6-166173-170.70109.5
611S23.7Very low25.6Very low92 Ų92142.6 Ų142.664%0.64378%0.776SS**  trans-158.8160161.775.70000105.4
612E24.3Very low25.8Very low161 Ų161138 Ų13875%0.75278%0.776SS**  cis-132.7147.6-5.1-107.3110.9172.500106.2
613V23Very low26Very low110 Ų110130 Ų13067%0.66777%0.765SS**  68.4126.578.2-179.70000114.4
614E23.8Very low26.2Very low174 Ų174133.5 Ų133.581%0.81378%0.775SS**  trans61.2153.2168.6-74.1154.6-150.500116.1
615S25.2Very low26.5Very low99 Ų99134.6 Ų134.669%0.69277%0.771SS**  cis173.1165.3-10-91.70000103.7
616E25.1Very low26.8Very low156 Ų156131.6 Ų131.673%0.72976%0.763SS**  cis-162.31616.9-130.1179.7-168.200109.1
617L25.6Very low27.3Very low150 Ų150132.3 Ų132.379%0.78576%0.756SS**  trans62151.3152.8-63.7169.5000119.3
618S25.8Very low28.2Very low111 Ų111129.9 Ų129.978%0.77676%0.755SS**  cis-163.4-156.9-11.754.30000110.3
619A26.6Very low28.5Very low90 Ų90134.2 Ų134.274%0.74475%0.754SS**  -159.1150.5-104.900000110.9
620I30.8Very low28.6Very low173 Ų173136 Ų13689%0.88776%0.759SS**  trans-150.7151.7172.9-103.1153.6000112
621P41.3Very low28.8Very low128 Ų128132.9 Ų132.983%0.83175%0.752SS**  trans-134.1-175.4-154.643.1-25.6000117.3
622G26.8Very low28.8Very low81 Ų81133.3 Ų133.384%0.83575%0.754SS**  trans146.2137.5158.800000114.2
623G28.4Very low28.7Very low61 Ų61131.3 Ų131.363%0.62976%0.757SS**  cis175.9177.2-6.200000113.1
624F28.8Very low28.6Very low199 Ų199135 Ų13587%0.87377%0.767SS**  trans69.8136.1176.3-57-99.4000116.8
625E30.1Very low28.7Very low149 Ų149131.3 Ų131.370%0.69676%0.761SS**  cis-168.5166.2-11.7-93.9-171.3119.200105.9
626N29.4Very low28.8Very low109 Ų109134.6 Ų134.658%0.58377%0.765SS**  cis-159.4141.5-9.8-99.6-10.5000107.8
627I36.8Very low28.8Very low131 Ų131138 Ų13867%0.67277%0.771SS**  76.2135.176.1-63.9179.1000115
628P44.3Very low28.7Very low114 Ų114140 Ų14074%0.7477%0.77SS**  cis-111175.1-7.740.6-30.9000113.3
629E31.3Very low28.7Very low167 Ų167140.5 Ų140.578%0.7877%0.768SS**  cis97.386.10.2-160.4166.1-142.200120
630Q27.1Very low28.8Very low189 Ų189140.3 Ų140.388%0.88377%0.766SS**  trans-170.6151.1153.3-101.2-169.7-4.800109.8
631L26.5Very low28.5Very low147 Ų147139.6 Ų139.677%0.7776%0.764SS**  cis-161.3152.7-43.6-126.6175000109.7
632S24.4Very low27.9Very low100 Ų100140 Ų14070%0.69976%0.758SS**  trans47.9118158.9590000123.3
633C21.5Very low27.9Very low120 Ų120143.4 Ų143.481%0.81175%0.752SS**  38.5150.2125.7-130.10000124.6
634E22Very low27.9Very low186 Ų186148.5 Ų148.587%0.86976%0.757SS**  trans64.9164.9165.9-67.3-173173.700118
635S25.3Very low27.7Very low98 Ų98144.9 Ų144.969%0.68575%0.751SS**  cis-176.785.5-43.3168.70000110.9
636E26.6Very low27.5Very low168 Ų168144.8 Ų144.879%0.78576%0.755SS**  trans-146.1141.6172.4-96.9162.7-153.300110
637R25.1Very low27.3Very low227 Ų227145.8 Ų145.886%0.85776%0.76SS**  cis74.477.311.1-68.3-165.8178.2179.92.9119.2
638Y24.2Very low26.9Very low193 Ų193148 Ų14876%0.75777%0.767SS**  trans-121.9138.3136.2-82.1-100.9000106.5
639T26.4Very low26Very low121 Ų121148.9 Ų148.974%0.74277%0.766SS**  cis63138.843.174.80000112.9
640A27.3Very low25.7Very low86 Ų86144.8 Ų144.871%0.71176%0.756SS**  cis-127.6-172.52.800000109.3
641N24.2Very low25.7Very low158 Ų158142.6 Ų142.685%0.84575%0.75SS**  cis-158.2168.229.8-140.9-8.8000113.7
642I29.6Very low25.7Very low136 Ų136146.4 Ų146.470%0.69775%0.754SS**  trans-103.8138.8178.2-65.4164.8000109.5
643Q26.9Very low25.9Very low153 Ų153150 Ų15072%0.71576%0.764SS**  trans-170.5146.7137.6-132.246.186.900115.7
644K27.4Very low26.2Very low167 Ų167149.6 Ų149.673%0.72676%0.762SS**  trans29.7134.8144.8-71174.5-173.4178.20120.4
645V26.3Very low27.6Very low123 Ų123145.9 Ų145.975%0.74575%0.754SS**  78.8107.553.2173.10000113.5
646L25.3Very low27.8Very low148 Ų148149.9 Ų149.978%0.77576%0.762SS**  trans66.2164.3151.1-71.7173.3000121.2
647D25.3Very low27.9Very low129 Ų129148.9 Ų148.969%0.6976%0.757SS**  trans72.9115.8167.9-53.7-18.9000115
648E27.7Very low28.1Very low177 Ų177144.7 Ų144.783%0.82775%0.747SS**  76.4137.478.9-78.9-171.7176.200111.9
649D26.1Very low28.4Very low133 Ų133142.3 Ų142.371%0.71175%0.747SS**  cis-157.7-179.310.2-162.417.5000113.4
650S25Very low28.6Very low81 Ų81144.4 Ų144.457%0.56675%0.752SS**  trans51.4109.6144.1-76.40000121.9
651D26.8Very low28.7Very low143 Ų143145.5 Ų145.577%0.76576%0.755SS**  164.2123.3107.5-93.3-28.4000110.1
652R26.9Very low28.8Very low228 Ų228141.3 Ų141.386%0.8675%0.749SS**  58104.169.5-79.4-171.7164.6-164.4-1.8115.6
653I28.3Very low28.9Very low176 Ų176142.8 Ų142.890%0.90376%0.757SS**  -156.8156.4124.1-101.2152.9000107.8
654S28.5Very low29.1Very low110 Ų110142.3 Ų142.377%0.76977%0.765SS**  trans-118.5-152.3-167.658.90000112.7
655P49.6Very low29.4Very low108 Ų108141.3 Ų141.370%0.70177%0.767SS**  -116.9172.2-12540.5-24.2000114.8
656E29.6Very low29.6Very low183 Ų183143.2 Ų143.286%0.85577%0.772SS**  trans170.4153.9156.1-98.3157.6-144.700107.7
657E29.2Very low29.8Very low146 Ų146141.4 Ų141.468%0.68277%0.771SS**  cis-158174.8-31.9-140.2-179.9-17900109.7
658H30Very low30.2Very low139 Ų139143.5 Ų143.564%0.64478%0.781SS**  trans62.1113.4154.2-71.4-35.8000123.5
659L30.7Very low30.4Very low143 Ų143143.8 Ų143.875%0.74978%0.783SS**  97.1124.9120.1-73.4172.7000122.6
660L30.6Very low30.9Very low165 Ų165144.9 Ų144.986%0.86479%0.788SS**  trans84.3142.6151.5-65167.1000119.6
661S29Very low31.5Very low110 Ų110147 Ų14777%0.76979%0.792SS**PPolyproline II helixtrans-90.4125.3-16152.80000112.9
662G26.9Very low32.2Very low70 Ų70144.9 Ų144.972%0.72279%0.787SS**PPolyproline II helixtrans-66.8141.3171.100000112.9
663I32Very low32.7Very low166 Ų166140.8 Ų140.885%0.85178%0.781SS**PPolyproline II helixtrans-76.4125166.7-62.9162.3000107.9
664T30.5Very low33.2Very low144 Ų144141.9 Ų141.988%0.88378%0.779SS**  trans-142.183.8167.727.20000111.2
665D33.2Very low34.2Very low145 Ų145144.4 Ų144.478%0.77578%0.779SS**  trans-116.8156.2144.9-151.8-20.4000107.3
666L30.5Very low33.9Very low163 Ų163147.6 Ų147.685%0.85378%0.777SS**SBendtrans69.1104.9-166.5-48.5174.2000116.1
667C30.4Very low34.3Very low110 Ų110145.7 Ų145.774%0.74377%0.771SS**  149.993.8117.4-167.20000113.2
668L32.5Very low34.5Very low174 Ų174148.2 Ų148.291%0.91178%0.78SS**  trans-150.265.9166.9-83.2-174.3000112.4
669Q32.4Very low34.6Very low183 Ų183149.5 Ų149.586%0.85579%0.79SS**  trans-14150.8166.2-72.9-157.541.100113.8
670D37.3Very low34.6Very low155 Ų155152.7 Ų152.783%0.82980%0.798SS**  trans-139.666.4172.5-95-49.3000112.6
671L36.7Very low34.4Very low125 Ų125149.3 Ų149.365%0.65479%0.788SS**  trans-142.5132.3168-78.7-179.6000112.4
672P41.7Very low34.3Very low100 Ų100154.5 Ų154.565%0.64979%0.792SS**  trans-68.7160.2-174.3-22.234.7000116.4K674P672-K674 VanDerWaalsContact C-N 3.27Å; P672-K674 PolarHBondContact O-N 2.87Å; P672-K674 VanDerWaalsContact O-N 3.09Å
673L37.6Very low34.7Very low141 Ų141156 Ų15674%0.73879%0.789SS**G310 helixtrans-69.5-4.4-171.1-84.7164.2000117.1E675L673-E675 PolarHBondContact O-N 3.12Å
674K39.3Very low34.5Very low200 Ų200155.9 Ų155.987%0.8779%0.785SS**G310 helixtrans-78.4-16.5-173.1-153.3177.5-179.3-173.70114.1P672P672-K674 VanDerWaalsContact C-N 3.27Å; P672-K674 PolarHBondContact O-N 2.87Å; P672-K674 VanDerWaalsContact O-N 3.09Å
675E49Very low34.2Very low162 Ų162155.2 Ų155.276%0.75778%0.776SS**G310 helixtrans-106.23.3-173.2-64.6179.8158.800114.1L673L673-E675 PolarHBondContact O-N 3.12Å
676R43.7Very low33.9Very low176 Ų176152.7 Ų152.766%0.66477%0.77SS**SBendtrans-95.111.5177.1-61.1-171.3-169.1168.26.9114.6
677I37.9Very low33.7Very low143 Ų143152.9 Ų152.973%0.73377%0.771SS**SBendtrans-126.346.9-178.4-39.2-176.8000111.7
678F32.7Very low33.5Very low198 Ų198154.9 Ų154.987%0.86877%0.769SS**  trans-143.5172.5151.9-93.3-73.3000109
679I31.6Very low33.9Very low166 Ų166152.2 Ų152.285%0.85176%0.763SS**  trans69.876.1-172.8-45.8172.9000113.6
680K30.7Very low33.6Very low211 Ų211150.1 Ų150.192%0.91776%0.757SS**  trans-154.260.1149.9-147.7171.1-172.3172.80115.9
681S26.9Very low33.2Very low93 Ų93149 Ų14965%0.6576%0.756SS**  trans-167.3143.1163.749.30000106.3
682Y26Very low32.9Very low220 Ų220149.4 Ų149.486%0.86376%0.758SS**  cis-138.1-169.230.1-96.3-73.9000111.1
683P35.5Very low32.4Very low100 Ų100151.5 Ų151.565%0.64976%0.763SS**  trans-127.7-157.6-150.744.9-26000114.1
684Q28.4Very low31.9Very low165 Ų165153.5 Ų153.577%0.77177%0.766SS**  trans73.8149.7171.5-75173.5-102.300115.6
685D24.8Very low31.4Very low129 Ų129149.9 Ų149.969%0.6976%0.761SS**  cis-139.2179.43.2-130.4-32.2000115.2
686S25.6Very low30.3Very low93 Ų93149.8 Ų149.865%0.6577%0.765SS**  trans-60.4149.9-173.462.80000116.9
687L26.1Very low29.6Very low167 Ų167146.6 Ų146.687%0.87477%0.77SS**  -163.2156122.4-104.4162.7000112.4
688Q27.4Very low29.3Very low151 Ų151147.3 Ų147.371%0.70677%0.773SS**  trans-136.1152.1178.9-96.8-81.4-36.100106.1
689P40.8Very low29.1Very low119 Ų119144.5 Ų144.577%0.77377%0.766SS**  -149.817365.141.4-22.1000118
690D26.4Very low29Very low138 Ų138140.9 Ų140.974%0.73876%0.756SS**  trans-57.5156.4153.5-87.5-53000113.1
691V28.5Very low28.8Very low132 Ų132136.8 Ų136.880%0.875%0.748SS**  179.9116.3126.9146.20000114
692N29.7Very low28.7Very low133 Ų133142.1 Ų142.171%0.71176%0.76SS**  trans21.5128145.9-75.6-64.2000125.2
693L31.4Very low28.7Very low144 Ų144140.3 Ų140.375%0.75476%0.759SS**  85.8143.5121.2-76.4170.3000124.5
694K27.8Very low29Very low183 Ų183140.5 Ų140.580%0.79676%0.76SS**  trans73119.7161.8-70.5173.1-179.8-179.40116.9
695T29.3Very low28.8Very low124 Ų124143.6 Ų143.676%0.76177%0.766SS**  84.1107.352.4-59.90000113.1
696L26.3Very low29.1Very low161 Ų161145.1 Ų145.184%0.84377%0.773SS**  -169.1161122.4-101.1170.5000111
697S27.6Very low29.2Very low109 Ų109144.6 Ų144.676%0.76277%0.774SS**  trans-137.8145.9-176.6-49.70000110.4
698I31.5Very low29.5Very low157 Ų157144.9 Ų144.981%0.80578%0.777SS**  trans176.9137.7171-100.8144.6000106.8
699L28.7Very low29.8Very low139 Ų139143.9 Ų143.973%0.72879%0.786SS**  cis-158.3145.4-3.8-114.2169.7000111.3
700S28.9Very low29Very low91 Ų91141.8 Ų141.864%0.63679%0.786SS**  trans41.1162.2139.9670000122.8
701V27.2Very low29.2Very low124 Ų124140 Ų14075%0.75279%0.785SS**  cis-154.5134.626.5-153.90000112
702K24.5Very low29.2Very low205 Ų205140.5 Ų140.589%0.89178%0.783SS**  169.2159.3116.2-92.3-173.4178.1-176.80114.1
703E27.3Very low29Very low183 Ų183139.5 Ų139.586%0.85579%0.785SS**  trans-125.1-175.8-162-106.3-176.6168.700110.1
704P40.3Very low28.8Very low103 Ų103138.7 Ų138.767%0.66979%0.786SS**  cis-134.5172.613.639-20.3000117.7
705Y25.3Very low28.8Very low230 Ų230135.1 Ų135.190%0.90279%0.785SS**  trans-131.7160.8155.8-101.5-96000109.2
706I30.9Very low28.8Very low162 Ų162137.8 Ų137.883%0.83179%0.788SS**  trans-128.5143.2-177.6-58.9173.9000108.4
707A27.8Very low28.8Very low82 Ų82137.9 Ų137.968%0.67879%0.788SS**  cis-167.6156-29.900000107
708N33Very low28.9Very low172 Ų172136.9 Ų136.992%0.9278%0.781SS**  trans-156.3116.5173.7-102.2-24.9000111.7
709S32.1Very low28.9Very low130 Ų130138 Ų13891%0.90978%0.78SS**  trans-170.8164.7169.553.60000109.4
710G24.9Very low29Very low75 Ų75137 Ų13777%0.77378%0.776SS**  cis-148.8-144.84.400000112.5
711S30.7Very low29.2Very low100 Ų100140 Ų14070%0.69978%0.784SS**  trans-135168.4-163.463.20000116.4
712D29Very low30Very low144 Ų144140.1 Ų140.177%0.7779%0.787SS**  trans81147.2150.8-56.1-48.1000123.7
713C24.9Very low30Very low112 Ų112133.9 Ų133.976%0.75778%0.781SS**  trans72.796.4158.6-71.50000123.1
714T26.1Very low30.1Very low126 Ų126132.7 Ų132.777%0.77378%0.779SS**  44.1116.7127.858.50000121.9
715S27.9Very low29.9Very low109 Ų109133.4 Ų133.476%0.76278%0.784SS**  170.6140.7105.148.30000116.1
716H29.6Very low30.3Very low179 Ų179129.6 Ų129.683%0.82978%0.778SS**  trans43.2146151.3-68.8-72.1000125.5
717L27.7Very low30.1Very low163 Ų163131.2 Ų131.285%0.85378%0.782SS**  trans73.3146.3167.2-55.7173000117.7
718S29.5Very low30.1Very low88 Ų88133.5 Ų133.562%0.61578%0.783SS**  cis-171.7150.1-28.259.30000110.4
719K31.5Very low29.8Very low180 Ų180133 Ų13378%0.78378%0.775SS**  trans70.9146.8165.6-60-175.7175.8-174.70117.2
720D29.7Very low29.7Very low120 Ų120131.9 Ų131.964%0.64277%0.767SS**  cis-156.9143.7-12.9-104.8-25.7000112.6
721L33.6Very low29.9Very low154 Ų154138.5 Ų138.581%0.80677%0.769SS**  trans75.3152.3147.9-66.6171.3000121.2
722P43.2Very low29.7Very low125 Ų125139.7 Ų139.781%0.81277%0.768SS**  -141.1-176.4-127.745-27.3000117.5
723G25.4Very low29.7Very low75 Ų75138.1 Ų138.177%0.77377%0.768SS**  trans173.296.416300000116.4
724I28.8Very low29.9Very low157 Ų157141.6 Ų141.681%0.80577%0.77SS**  trans-127.3133.2173.4-71.5174.5000105.4
725P36.8Very low30Very low119 Ų119141.4 Ų141.477%0.77377%0.768SS**  -158.2177.981.944-23.2000119
726L34.1Very low29.9Very low150 Ų150143.4 Ų143.479%0.78577%0.77SS**  trans-68.5159.8155.5-61.570.8000110.5
727Q26.4Very low29.9Very low195 Ų195143.7 Ų143.791%0.91177%0.769SS**  -167.5-177.8126.8-113.5-174.844.200115.5
728N27.8Very low29.9Very low131 Ų131139.1 Ų139.170%0.70176%0.761SS**  trans-93.8172.6-168-722.1000114.9
729E26.9Very low30Very low161 Ų161140.6 Ų140.675%0.75276%0.762SS**  trans67.9106.7138.2-82.6162.7-11900122.5
730S28.4Very low30.3Very low106 Ų106139.6 Ų139.674%0.74176%0.76SS**  102.3148.2115.983.70000122.2
731R30.2Very low30.4Very low215 Ų215139.9 Ų139.981%0.81176%0.761SS**  trans73.2110.6151.3-74.5-165.9142.9133.41.3124.1
732D27.1Very low30.2Very low125 Ų125139.2 Ų139.267%0.66876%0.757SS**  75131.1118-58.4-25.4000123.7
733S28.1Very low29.7Very low110 Ų110140 Ų14077%0.76975%0.75SS**  trans81.5151.9157.586.40000118
734K29.3Very low29.9Very low186 Ų186145 Ų14581%0.80975%0.753SS**  cis-160.6129.76.3-138.7161.5-174175.40114.1
735V27.2Very low30.4Very low121 Ų121142.8 Ų142.873%0.73374%0.743SS**  trans53.8123.3133.2176.30000123.6
736L27.3Very low30.2Very low151 Ų151146.6 Ų146.679%0.79174%0.744SS**  175.3110129.4-94157.8000109.8
737K29.8Very low29.9Very low185 Ų185148 Ų14880%0.80474%0.744SS**  58.8136.499.2-70.1-162.6172.3-1650116.6
738G26.9Very low30.1Very low68 Ų68144 Ų14470%0.70173%0.732SS**  cis-167.6-171.40.800000109.9
739D31.7Very low30Very low118 Ų118145.8 Ų145.863%0.63174%0.742SS**  cis-163.3142.90.6-103.4-59.4000112.1
740Q36.8Very low30Very low159 Ų159143.8 Ų143.874%0.74374%0.741SS**  trans63148.2141-62.5170.549.100122
741L32Very low29.9Very low127 Ų127144.3 Ų144.367%0.66574%0.744SS**  cis-158-178.9-8-105.5166.6000107.4
742L29.4Very low29.8Very low139 Ų139140.7 Ų140.773%0.72875%0.746SS**  cis-117.9-165.311.3-76.2168.8000110.5
743Q34.1Very low30.7Very low142 Ų142139.4 Ų139.466%0.66474%0.744SS**  cis72.7143.324.8-111.7162.4-97.600115.4
744E28.6Very low30.5Very low179 Ų179144.8 Ų144.884%0.83675%0.749SS**  cis-114.5-178.113.6-63.3-161.3113.300117.2
745N40.1Very low30.4Very low111 Ų111141 Ų14159%0.59475%0.745SS**  trans-114.3165.1-169.3-57.1-84.8000111.7
746Y31.8Very low30.4Very low199 Ų199143.6 Ų143.678%0.7875%0.753SS**  178.7176.768.7-83.4-64.7000108.7
747K28.3Very low30.3Very low181 Ų181139.2 Ų139.279%0.78775%0.745SS**  cis-151.7-166.14.3-138.1161.5-173.8172.90110.9
748V30.7Very low30.3Very low111 Ų111138.1 Ų138.167%0.67375%0.747SS**  trans-136.3154.2-179.31730000110.2
749N24.2Very low30.3Very low167 Ų167140.3 Ų140.389%0.89375%0.748SS**  trans-159.8158.8141.9-110.3-6.1000113.1
750T27.1Very low30.1Very low120 Ų120141.1 Ų141.174%0.73676%0.757SS**  trans-150.1137.8-158.1-48.70000111.7
751S26.5Very low29.8Very low116 Ų116138.8 Ų138.881%0.81175%0.753SS**  trans-176.8148.9145.250.60000114.8
752V29.7Very low29.8Very low139 Ų139141.7 Ų141.784%0.84276%0.76SS**  trans-105.6-165.1161.6-121.80000107
753P45.3Very low29.7Very low98 Ų98140.6 Ų140.664%0.63676%0.759SS**  cis-136.2-177.35.444.5-27.4000115.8
754Y24.4Very low29.3Very low223 Ų223138.9 Ų138.988%0.87576%0.762SS**  -157.8155.1124.6-121.8-83.2000110.6
755C26Very low29.2Very low108 Ų108137.5 Ų137.573%0.7376%0.76SS**  trans-141.8-179.3-172.8-77.20000113
756I26.9Very low28.7Very low174 Ų174139.2 Ų139.289%0.89277%0.774SS**  trans107.4121.6175.2-59.9158.5000112.3
757G26.5Very low28.4Very low60 Ų60140.7 Ų140.762%0.61978%0.778SS**  cis169.1171-9.800000114.5
758N28.7Very low29.8Very low161 Ų161137.2 Ų137.286%0.86177%0.774SS**  trans68.7149.1158.1-65.23000120.2
759T26.8Very low30.8Very low115 Ų115136.6 Ų136.671%0.70677%0.773SS**  cis-163.7171.8-23.4-66.50000108.7
760V27.6Very low31Very low135 Ų135135.3 Ų135.382%0.81877%0.766SS**  trans98.3145.3163.4-168.30000116.7
761V30.8Very low31.1Very low109 Ų109135.6 Ų135.666%0.66177%0.768SS**  trans-157.8130.3-143.3164.50000112.9
762K31.6Very low31.2Very low188 Ų188135 Ų13582%0.81777%0.769SS**  trans63.5165157.2-68.9176.1-176.9179.10118.1
763T28.1Very low31.2Very low117 Ų117135.8 Ų135.872%0.71877%0.768SS**  cis-165.2156.2-14.723.60000113.1
764C25.9Very low30.2Very low105 Ų105138.6 Ų138.671%0.70978%0.778SS**  trans60.4119.7142.5-64.80000125.4
765N26.2Very low30.6Very low151 Ų151135.8 Ų135.881%0.80777%0.772SS**  62.5152.8124.5-63.2-8.5000125.8
766V29Very low30.6Very low147 Ų147136.6 Ų136.689%0.89178%0.779SS**  trans96157.3157.9-1600000118.2
767R26.7Very low30.8Very low229 Ų229139.7 Ų139.786%0.86478%0.78SS**  trans-137.5179.8-163.1-131.7-167.4166.3-174-2.2108.9
768P57Low30.8Very low108 Ų108146 Ų14670%0.70179%0.79SS**  cis-116.7-107.3-9.133-9000111.9
769P52.2Low30.7Very low98 Ų98144.4 Ų144.464%0.63679%0.786SS**  cis-124.8-173.1-3.144.3-27.3000115.7
770N29.1Very low30.6Very low141 Ų141145.7 Ų145.775%0.75479%0.789SS**  trans42.6147.2147.8-63.73.8000123.6
771T29.1Very low30.6Very low126 Ų126147.2 Ų147.277%0.77379%0.789SS**  cis-170.9139.8-21.626.30000109.5
772A26.7Very low30.5Very low102 Ų102149.7 Ų149.784%0.84379%0.793SS**  trans-163.9154.4154.900000110.5
773L30.3Very low30.3Very low157 Ų157146.1 Ų146.182%0.82279%0.787SS**  trans-113.7156.3173.2-6694.4000110.8
774D25.8Very low30.3Very low157 Ų157145.8 Ų145.884%0.8479%0.785SS**  -159.9173117.6-138-34.1000112.7
775H31.4Very low30.7Very low164 Ų164148.3 Ų148.376%0.75979%0.787SS**  trans-99.4154.6-174.6-69.2-78.9000114.6
776S27.1Very low31Very low125 Ų125149.3 Ų149.387%0.87478%0.784SS**  171.3175.8122.251.30000112.1
777R29.7Very low31Very low239 Ų239148.6 Ų148.690%0.90277%0.774SS**  trans-157.2151.3-172.3-151.7-179-165.8-175.25.5110.3
778K26.5Very low31.1Very low191 Ų191144 Ų14483%0.8377%0.765SS**  trans98.3133.1162.2-73.4-170.3170.7-174.10121
779V26.5Very low29.7Very low129 Ų129145.6 Ų145.678%0.78277%0.765SS**  trans87.5140.2139167.60000120
780D25.5Very low28.6Very low142 Ų142149.1 Ų149.176%0.75977%0.771SS**  trans-78.9156.5-174.4-44-106.9000114.5
781M27.1Very low28.5Very low166 Ų166151.7 Ų151.782%0.81878%0.775SS**  -167.3177.1107.4-107.8-155.374.400114.1
782Q28.9Very low28.4Very low162 Ų162150.8 Ų150.876%0.75777%0.774SS**  trans-72.3166.9-175-60.8163.77.200111.5
783T28.7Very low28.4Very low112 Ų112151.4 Ų151.469%0.68777%0.767SS**  -171.6161.872.8-39.30000106.2
784T28Very low28.2Very low111 Ų111150.4 Ų150.468%0.68177%0.772SS**  cis-167115.744.2-52.70000113.5
785Q33.2Very low28.4Very low158 Ų158150.2 Ų150.274%0.73877%0.769SS**  trans56.8171.4140.6-62-174.212.300122.4
786K33.3Very low28.1Very low171 Ų171149.3 Ų149.374%0.74377%0.77SS**  cis-171.3173.7-44.4-99.6176.4-175.4175.80107
787I29.6Very low28Very low133 Ų133154.7 Ų154.768%0.68277%0.771SS**  -173.5170-51.3-157.7171.8000108.7
788L28.1Very low27.8Very low132 Ų132151.8 Ų151.869%0.69177%0.768SS**  trans71.1156.2168.6-9885000117
789M26.6Very low27.7Very low141 Ų141147.9 Ų147.970%0.69576%0.764SS**  cis-171.2173.4-26.1-132.4-175.5-15400114.2
790K28.7Very low27.7Very low173 Ų173145.9 Ų145.975%0.75276%0.756SS**  trans81.3124.5143-82.1166.9-178.2177.10122.3
791K28.3Very low27.8Very low195 Ų195146.2 Ų146.285%0.84876%0.758SS**  trans-8.9141.3142.3-49.2174.3178.7-177.70117.2
792S27.7Very low27.9Very low107 Ų107145.1 Ų145.175%0.74875%0.751SS**  159.5165.992.962.60000113.7
793V25.9Very low28Very low115 Ų115144.8 Ų144.870%0.69775%0.75SS**  trans50.4126.9163.9-171.10000119.2
794C26.6Very low28.1Very low136 Ų136144.7 Ų144.792%0.91975%0.753SS**  trans-128.6133.6146.1-82.40000109.8
795L28.4Very low28Very low152 Ų152143.5 Ų143.580%0.79676%0.755SS**  trans-118.1163.6174.8-119.3168.7000108.9
796N26.1Very low27.9Very low145 Ų145142.6 Ų142.678%0.77576%0.763SS**  trans-61.8138.2-174.3-56.3-52000113.7
797R25.8Very low27.6Very low238 Ų238139.9 Ų139.990%0.89876%0.76SS**  -170171.7117.3-108.8177.3174.3171.9-0.9114.9
798H24.4Very low27.5Very low178 Ų178142.3 Ų142.382%0.82477%0.766SS**  trans-94.1155-166.6-40.7-96.4000114.3
799S23.9Very low27.5Very low109 Ų109139 Ų13976%0.76276%0.764SS**  trans-169.9120.2133.7-118.10000107
800S26.5Very low27.7Very low87 Ų87143.2 Ų143.261%0.60877%0.772SS**  66.2141.180.477.10000115.2
801D28.2Very low27.8Very low149 Ų149138.9 Ų138.980%0.79777%0.768SS**  cis-177.2163.5-19.2-95.2-37.3000106.2
802E29.8Very low27.9Very low144 Ų144137.2 Ų137.267%0.67376%0.761SS**  cis-155.1-175.7-0.4-139.8-147.2127.700109.9
803Q31.4Very low28Very low155 Ų155140.7 Ų140.772%0.72476%0.759SS**  trans71152.4149.6-82.1172.654.700121.1
804S29.1Very low28.2Very low109 Ų109140.6 Ų140.676%0.76276%0.759SS**  cis-148.2155.9-0.545.80000113.5
805A25.6Very low28.4Very low87 Ų87140.1 Ų140.172%0.71975%0.752SS**  trans-143.1147161.300000109.2
806P31.2Very low28.3Very low139 Ų139140.2 Ų140.290%0.90375%0.748SS**  trans-79.4167.5-166.630.4-35.6000115.6
807V28.2Very low28.3Very low113 Ų113142.5 Ų142.569%0.68575%0.746SS**  trans-121.5155.9-161.6168.80000111.6
808F27Very low28.3Very low185 Ų185137.3 Ų137.381%0.81173%0.733SS**  trans156.7132.7133.1-86.7-66.2000112.2
809G28.6Very low28.4Very low62 Ų62137.3 Ų137.364%0.63973%0.731SS**  cis157.2157.4-19.200000116.1
810R31Very low28.6Very low230 Ų230141.2 Ų141.287%0.86874%0.737SS**  trans78.2154.5164-51.5177.6172.6-178.7-2.1115.9
811A29.6Very low28.6Very low81 Ų81142.8 Ų142.867%0.66975%0.748SS**  cis-149.8136.613.100000115.2
812K31.8Very low28.6Very low161 Ų161140.8 Ų140.870%0.775%0.746SS**  trans47.9157.5136.6-45.3175.6-173.41770120.7
813Y29.4Very low28.6Very low180 Ų180142.4 Ų142.471%0.70675%0.753SS**  cis-138.7127.912.7-84.1-91.8000108.6
814T29.3Very low28.4Very low113 Ų113144.9 Ų144.969%0.69376%0.762SS**  42.9129.3101.264.60000115.6
815T31Very low28.2Very low126 Ų126147.7 Ų147.777%0.77376%0.763SS**  cis-165-164.416.41.20000109.9
816Q27Very low28.2Very low154 Ų154150 Ų15072%0.7276%0.763SS**  cis-156.3-159.815.3-139.9-159.2109.900114.4
817R25.6Very low27.9Very low193 Ų193148.9 Ų148.973%0.72875%0.754SS**  trans-53.4165.5171.3-75.3-177.6174.3170.6-4.6116.4
818M25.9Very low27.7Very low129 Ų129148.7 Ų148.764%0.63575%0.753SS**  cis-164.9160.38.4-126.6178.5-175.400114.4
819K26.7Very low27.7Very low178 Ų178146.8 Ų146.877%0.77475%0.746SS**  trans69.1133.1146.6-77.8176.8179.9-176.70122.4
820H26.9Very low27.6Very low190 Ų190151.5 Ų151.588%0.8875%0.75SS**  trans-60.6153166.5-46.3-107.5000114.2
821S26.7Very low27.3Very low121 Ų121147 Ų14785%0.84674%0.736SS**  -155.2160.9124.164.20000111.5
822S28.8Very low27Very low107 Ų107150 Ų15075%0.74874%0.736SS**  trans-91.7141.1-165.2-42.60000113.9
823Q28.7Very low26.7Very low177 Ų177148.4 Ų148.483%0.82775%0.746SS**  37.6108.4123.8-172.1-174.213.900118.4
824K27.8Very low26.6Very low208 Ų208142.9 Ų142.990%0.90474%0.743SS**  trans-155.1162.2135.3-116.5172-175.7-177.80111.9
825Q25.8Very low26.6Very low168 Ų168145.9 Ų145.979%0.78575%0.749SS**  trans-102.1-174.8-172.4-63.3168.6-88.800111.8
826N25.3Very low26.4Very low135 Ų135145.8 Ų145.872%0.72274%0.744SS**  trans85.7126.4170-54.73.9000113
827T23.9Very low26.6Very low116 Ų116147.6 Ų147.671%0.71275%0.749SS**  cis67.4134.74878.50000112.1
828T25.1Very low26.6Very low108 Ų108146.4 Ų146.466%0.66376%0.756SS**  cis-156.2150.714.6-20.60000112.4
829Q27.4Very low26.6Very low146 Ų146143.8 Ų143.868%0.68276%0.763SS**  trans50.3144.1139.5-89.6169.8-7.300124.9
830F25Very low26.5Very low161 Ų161140.9 Ų140.971%0.70677%0.765SS**  trans67.4154.3142.9-68.3-41000119.9
831K25.4Very low27.6Very low136 Ų136136.6 Ų136.659%0.59175%0.754SS**  cis-152.2152.5-6-135.9164.9177.2-970112.4
832E24.5Very low27.8Very low143 Ų143139.6 Ų139.667%0.66875%0.751SS**  trans46.1144.6144.8-81.9156.4-173.700125.4
833S25.3Very low28Very low128 Ų128140.1 Ų140.190%0.89575%0.745SS**  trans69.4138.8161.773.10000118.6
834G26.6Very low27.9Very low63 Ų63139.5 Ų139.565%0.64974%0.741SS**  cis152.1144.2-14.400000113
835H28.6Very low28.1Very low177 Ų177135.3 Ų135.382%0.81973%0.728SS**  trans-169.5139.9163.7-104.4-59.5000115.9
836N27.9Very low28.1Very low123 Ų123135.2 Ų135.266%0.65873%0.725SS**  trans65.7118.5142.4-58.4-18.8000123.7
837K30.4Very low28.4Very low192 Ų192136 Ų13684%0.83572%0.724SS**  46.6144.8122.2-59.7179.5179.5178.70119.6
838L26.5Very low28.6Very low168 Ų168135.3 Ų135.388%0.8872%0.724SS**  cis-163.5160.421.3-161.771.8000111.3
839G25.3Very low28.9Very low75 Ų75139.4 Ų139.477%0.77374%0.735SS**  trans116132153.300000118.1
840S25.4Very low28.9Very low116 Ų116141.6 Ų141.681%0.81175%0.746SS**  trans-161.7-168.8-179.982.10000109.5
841P48.5Very low28.8Very low101 Ų101139.6 Ų139.666%0.65675%0.751SS**  cis-106.7-159.13.727.1-3.6000111.4
842K31.3Very low28.9Very low183 Ų183138.7 Ų138.780%0.79676%0.756SS**  cis-142.4164.319.8-71.3-176176.7-177.30108.9
843I32.6Very low29Very low119 Ų119142.4 Ų142.461%0.6176%0.764SS**  cis70.4124.540.2-53.6165.1000111.5
844H27.9Very low29.2Very low163 Ų163140.8 Ų140.876%0.75575%0.753SS**  cis-102.6172.64.3-74.6-80.1000112
845I31.4Very low29.2Very low121 Ų121147.8 Ų147.862%0.62176%0.761SS**  cis85.4126.123-55.8170000111.8
846K26.8Very low29.4Very low165 Ų165148.2 Ų148.272%0.71776%0.76SS**  cis-153.1138.844.8-145.7147.3-178.7-170.70111.6
847E30.3Very low29.4Very low153 Ų153149.1 Ų149.172%0.71577%0.771SS**  49.514996.7-43.7172.9153.800116.3
848S29.1Very low29.5Very low100 Ų100143.9 Ų143.970%0.69976%0.763SS**  cis-169.7163.1-9.1420000113.2
849E30.5Very low29.5Very low194 Ų194144.2 Ų144.291%0.90776%0.76SS**  trans58.5-174.6147.6-71.7-174.9151.800123.1
850Q28.1Very low29.8Very low192 Ų192147.3 Ų147.390%0.89776%0.759SS**  trans-101.6157.9-159.5-55.6171.7-19.200113.3
851C23.3Very low30Very low120 Ų120149.3 Ų149.381%0.81176%0.756SS**  165.4127.1120.5-160.10000115.8
852V25.7Very low29.1Very low116 Ų116152.9 Ų152.970%0.70376%0.764SS**  trans16.5138142.2-173.10000123.5
853R27.3Very low28.9Very low222 Ų222148.8 Ų148.884%0.83876%0.758SS**  trans85.7106.1151.3-89168.3-175.8175.21.2123.5
854S28.8Very low28.6Very low94 Ų94149 Ų14966%0.65777%0.769SS**  66.3132.7111.6-54.80000125.4
855Y27.7Very low28.6Very low210 Ų210151 Ų15182%0.82478%0.775SS**  trans115.4131.9141.8-71.1-65.2000120.5
856K32.1Very low29.4Very low185 Ų185149.9 Ų149.980%0.80478%0.776SS**  trans36.2140.5143.9-64178.1178.9-175.90120
857T27.6Very low29.3Very low143 Ų143149.1 Ų149.188%0.87778%0.78SS**  -141.4-144.663.241.50000113.5
858A33.3Very low29.2Very low82 Ų82146.6 Ų146.668%0.67878%0.779SS**  -158.7-166.5-88.300000111.2
859E26.7Very low29.1Very low175 Ų175146.1 Ų146.182%0.81878%0.781SS**  trans68.3108.3168.6-69.4165.8-159.400116.7
860N32.4Very low29Very low140 Ų140145.2 Ų145.275%0.74978%0.777SS**  91.2142.787.7-79.825.7000111.6
861E29.1Very low28.8Very low158 Ų158141.2 Ų141.274%0.73877%0.77SS**  cis-149.5179.622.7-142.7141.3-111.800112.7
862E28.3Very low29Very low176 Ų176140.5 Ų140.582%0.82277%0.767SS**  trans-2154.4162.9-73.4-176.4177.800123.2
863S27.6Very low29.1Very low97 Ų97143.2 Ų143.268%0.67878%0.776SS**  cis-167.2178.7-3.451.20000112.8
864C25.7Very low29Very low124 Ų124137.9 Ų137.984%0.83877%0.773SS**  trans63.7103.4158.5-76.50000122.8
865F28.7Very low28.8Very low203 Ų203138.1 Ų138.189%0.8978%0.775SS**  trans-72.5173.9136.4-79.1-76.8000110.2
866P47.9Very low28.7Very low98 Ų98135 Ų13564%0.63677%0.771SS**  cis-147.3-172.725.445.4-25.2000118.1
867D25.3Very low28.4Very low150 Ų150134 Ų13480%0.80277%0.77SS**  trans62.4155146.4-68.3-24000120.8
868S27.8Very low28.1Very low99 Ų99131.6 Ų131.669%0.69276%0.758SS**  cis-166.3164.1-17.352.30000110.2
869A26.6Very low27.8Very low90 Ų90135 Ų13574%0.74476%0.759SS**  trans61.3177.2159.900000116
870E28Very low27.9Very low175 Ų175135.7 Ų135.782%0.81876%0.76SS**  cis-154.6170.4-25.6-134.1-179.6178.200109.5
871S25.8Very low27.6Very low108 Ų108139.1 Ų139.176%0.75577%0.768SS**  trans64.6140.6171.371.10000117.3
872S26.9Very low27.6Very low105 Ų105140.4 Ų140.473%0.73477%0.774SS**  cis96.6117.819.9-61.80000115.3
873L28.2Very low27.6Very low173 Ų173138.1 Ų138.191%0.90677%0.772SS**  trans70.7157.5163.9-56167.6000114.9
874S24.1Very low27.6Very low111 Ų111140 Ų14078%0.77678%0.775SS**  cis-147.8169.30.733.80000113.2
875S25.6Very low27.8Very low98 Ų98139.2 Ų139.269%0.68577%0.77SS**  trans-61-179.3173.648.80000117.5
876L24.8Very low27.8Very low145 Ų145136.2 Ų136.276%0.75977%0.768SS**  trans87122.2173.5-57.1135.2000113.9
877Q25.7Very low26.9Very low165 Ų165137.9 Ų137.977%0.77178%0.777SS**  cis81.5100.443.8-173.4-175.60.800113.3
878C22.7Very low27Very low92 Ų92136.5 Ų136.562%0.62278%0.778SS**  178.216795.4-139.40000115.5
879H25.8Very low27.2Very low153 Ų153139.5 Ų139.571%0.70879%0.785SS**  trans51115.8152.7-70.8-35.6000125.1
880K29.3Very low27.4Very low190 Ų190142.9 Ų142.983%0.82679%0.791SS**  44.8122.6120.7-67-172.9171.7-169.10120.3
881K26.9Very low28Very low211 Ų211138.8 Ų138.892%0.91778%0.781SS**  -150.6145.3123.2-114.2171.4-1771770110.8
882E29.1Very low29.4Very low185 Ų185139.6 Ų139.686%0.86478%0.784SS**  trans-99.3142.8174.9-64165.5119.600109.7
883T27.6Very low30.9Very low128 Ų128139.2 Ų139.279%0.78577%0.773SS**  trans-164.8129.1142.418.80000111.5
884N27.1Very low32.6Very low138 Ų138135.1 Ų135.174%0.73876%0.757SS**  trans55.598.3143.1-55.4-5.3000120.3
885S30.5Very low33.8Very low107 Ų107135.9 Ų135.975%0.74875%0.752SS**  32.4116.2124.961.70000120.1
886V27.9Very low35Very low140 Ų140141.7 Ų141.785%0.84876%0.759SS**  -166.6153101.1144.10000109.6
887T29.3Very low36.6Very low132 Ų132139.4 Ų139.481%0.8174%0.744SS**  trans-67.6135.9-178.646.20000114.2
888C28Very low38.6Very low122 Ų122139.6 Ų139.682%0.82474%0.738SS**  -154.7134.6110.2-148.60000111.2
889L30.8Very low40.4Very low161 Ų161139.3 Ų139.384%0.84373%0.729SS**  trans-108.5134.8167-85.2165.9000107.3
890D32Very low42.1Very low161 Ų161139 Ų13986%0.86173%0.726SS**  trans-123.6123.4161.3-129.9-32000109.2
891S39.5Very low43.6Very low89 Ų89135.2 Ų135.262%0.62272%0.715SS**  trans-159.4137.4-179.9-78.20000108.4L893S891-L893 PolarHBondContact O-N 3.33Å
892P56.9Low44.9Very low125 Ų125134.4 Ų134.481%0.81271%0.706SS**PPolyproline II helixtrans-67.2131.8-158.824.3-34.3000113.3
893L56.8Low46Very low97 Ų97133.3 Ų133.351%0.50870%0.698SS.*PPolyproline II helixtrans-53.5137.4-176-64175.3000113.1S891 Q897S891-L893 PolarHBondContact O-N 3.33Å; L893-Q897 HydrophobicContact CB-CB 4.32Å
894P64.5Low47.1Very low87 Ų87134.2 Ų134.257%0.56569%0.693SS**PPolyproline II helixtrans-51.3149.5176-29.635.3000114.2R896 Q897P894-R896 PolarHBondContact O-N 2.91Å; P894-Q897 PolarHBondContact O-N 3.48Å
895L49.1Very low48.1Very low128 Ų128132 Ų13267%0.6769%0.689SS**Hα-helixtrans-49.5-34.4-173.5-149.381.8000113.7Q897 R898 L899L895-Q897 PolarHBondContact O-N 3.34Å; L895-R898 PolarHBondContact O-N 2.76Å; L895-L899 WeakPolarHBondContact O-CG 3.16Å; L895-L899 PolarHBondContact O-N 3.24Å
896R50.3Low48.7Very low220 Ų220135.6 Ų135.683%0.8371%0.707SS**Hα-helixtrans-62-38.6178.5-168.7179-177.3-166.21.8113.5P894 K900P894-R896 PolarHBondContact O-N 2.91Å; R896-K900 WeakPolarHBondContact O-CB 3.45Å; R896-K900 PolarHBondContact O-N 2.71Å
897Q59.5Low49.8Very low96 Ų96135.4 Ų135.445%0.44970%0.699SS.*Hα-helixtrans-74.6-39.6177-83.4165-53.100111.6L893 P894 L895 L899 K900 L901L893-Q897 HydrophobicContact CB-CB 4.32Å; P894-Q897 PolarHBondContact O-N 3.48Å; L895-Q897 PolarHBondContact O-N 3.34Å; Q897-L899 VanDerWaalsContact C-N 3.28Å; Q897-L899 PolarHBondContact O-N 3.31Å; Q897-K900 PolarHBondContact O-N 2.9Å; Q897-L901 PolarHBondContact O-N 3.27Å
898R68Low50.8Low169 Ų169135.5 Ų135.564%0.63869%0.694SS**Hα-helixtrans-59.8-37.4172.6-70.9-179.960.9179.6-1.4112.4L895 R902L895-R898 PolarHBondContact O-N 2.76Å; R898-R902 PolarHBondContact O-N 3.3Å
899L60Low52.1Low86 Ų86136.3 Ų136.345%0.4569%0.686SS.*Hα-helixtrans-70.8-43.4173-72.6168.4000112.1L895 Q897 L901 R902 F903L895-L899 WeakPolarHBondContact O-CG 3.16Å; L895-L899 PolarHBondContact O-N 3.24Å; Q897-L899 VanDerWaalsContact C-N 3.28Å; Q897-L899 PolarHBondContact O-N 3.31Å; L899-L901 PolarHBondContact O-N 3.41Å; L899-R902 WeakPolarHBondContact O-CB 3.4Å; L899-R902 PolarHBondContact O-N 3.39Å; L899-R902 VanDerWaalsContact O-N 3.11Å; L899-F903 WeakPolarHBondContact O-CD2 3.48Å; L899-F903 PolarHBondContact O-N 2.93Å
900K61.4Low53.3Low146 Ų146134.8 Ų134.864%0.63568%0.677SS**Hα-helixtrans-60.9-42.8-179.1-161179.2-175.3-171.90112.4R896 Q897 R902 F903R896-K900 WeakPolarHBondContact O-CB 3.45Å; R896-K900 PolarHBondContact O-N 2.71Å; Q897-K900 PolarHBondContact O-N 2.9Å; K900-R902 VanDerWaalsContact C-N 3.3Å; K900-R902 PolarHBondContact O-N 2.59Å; K900-F903 PolarHBondContact O-N 3.42Å
901L60.4Low54.7Low112 Ų112133.2 Ų133.259%0.58667%0.666SS**Hα-helixtrans-61.7-36.5174.6-72168000112.5Q897 L899 F903 Q904Q897-L901 PolarHBondContact O-N 3.27Å; L899-L901 PolarHBondContact O-N 3.41Å; L901-F903 PolarHBondContact O-N 2.81Å; L901-Q904 PolarHBondContact O-N 2.84Å; L901-Q904 VanDerWaalsContact O-N 3.16Å
902R54Low55.7Low193 Ų193136.1 Ų136.173%0.72867%0.669SS**Hα-helixtrans-70.4-14.9-179.5-135.8-177.7-163.4-172.24.2114.5R898 L899 K900R898-R902 PolarHBondContact O-N 3.3Å; L899-R902 WeakPolarHBondContact O-CB 3.4Å; L899-R902 PolarHBondContact O-N 3.39Å; L899-R902 VanDerWaalsContact O-N 3.11Å; K900-R902 VanDerWaalsContact C-N 3.3Å; K900-R902 PolarHBondContact O-N 2.59Å
903F52.5Low55.6Low162 Ų162136.9 Ų136.971%0.71166%0.658SS**THydrogen-bonded Turntrans-107.114174.5-72.4-70.2000112.7L899 K900 L901L899-F903 WeakPolarHBondContact O-CD2 3.48Å; L899-F903 PolarHBondContact O-N 2.93Å; K900-F903 PolarHBondContact O-N 3.42Å; L901-F903 PolarHBondContact O-N 2.81Å
904Q51.5Low55.5Low147 Ų147140 Ų14069%0.68767%0.67SS**SBendtrans-12015.2170.9-63.9-171.3-87.300112L901L901-Q904 PolarHBondContact O-N 2.84Å; L901-Q904 VanDerWaalsContact O-N 3.16Å
905S48.2Very low54.8Low92 Ų92144.4 Ų144.464%0.64368%0.679SS**  trans-130.540.1-179.271.60000112
906T42.4Very low55.3Low182 Ų182145.9 Ų145.9100%1.11768%0.679SS**  trans-147.80176.453.50000108.8

Retrieved 906 of 906 residues in 222.6 ms (Link to these results)

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