A0A3Q0KR40_SCHMA Loading...

MFS domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KR40, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 519 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
1M81Confident88.1Confident42 Ų4211.5 Ų11.521%0.2075%0.054CC..  0-46.20-59.8-157.7-67.200114.2D4 C93 E97 R115 A198M1-D4 VanDerWaalsContact CA-OD1 3.26Å; M1-D4 WeakPolarHBondContact CA-OD1 3.37Å; M1-D4 WeakPolarHBondContact CA-OD2 3.31Å; M1-D4 VanDerWaalsContact N-CG 3.28Å; M1-D4 PolarHBondContact N-OD1 2.86Å; M1-D4 PolarHBondContact N-OD2 3.21Å; M1-C93 HydrophobicContact CE-CB 3.52Å; M1-C93 HydrophobicContact SD-CB 3.76Å; M1-E97 HydrophobicContact CG-CG 4.48Å; M1-E97 HydrophobicContact SD-CB 4.47Å; M1-R115 PolarHBondContact O-NH1 2.91Å; M1-A198 HydrophobicContact CE-CB 3.9Å; M1-A198 HydrophobicContact SD-CB 3.78Å
2R83.5Confident88.4Confident50 Ų5010.5 Ų10.519%0.1895%0.05CC..  trans-82.1-52.5174.1-178.7179.9159.7-170.2-12.8112.8F62 R115R2-F62 HydrophobicContact CG-CD1 4.4Å; R2-F62 HydrophobicContact CG-CE1 4.26Å; R2-F62 HydrophobicContact CG-CE2 4.49Å; R2-F62 HydrophobicContact CG-CZ 4.3Å; R2-R115 PolarHBondContact O-NH2 3.42Å
3V86.4Confident88.4Confident15 Ų1510.1 Ų10.19%0.0915%0.048CC..SBendtrans-89.3-15-167-62.10000114.3N6 Q161 I302V3-N6 VanDerWaalsContact O-CB 3.32Å; V3-N6 WeakPolarHBondContact O-CB 3.32Å; V3-N6 PolarHBondContact O-N 2.87Å; V3-Q161 HydrophobicContact CB-CG 4.04Å; V3-Q161 HydrophobicContact CG2-CG 3.92Å; V3-I302 HydrophobicContact CG1-CD1 4.09Å; V3-I302 HydrophobicContact CG1-CG1 4.32Å
4D89.4Confident87.8Confident0 Ų011.6 Ų11.60%06%0.057CC..Hα-helixtrans-61.3-47.7173.643.81.6000111.4M1 N6 V7 T8 A164 V190 Y194M1-D4 VanDerWaalsContact CA-OD1 3.26Å; M1-D4 WeakPolarHBondContact CA-OD1 3.37Å; M1-D4 WeakPolarHBondContact CA-OD2 3.31Å; M1-D4 VanDerWaalsContact N-CG 3.28Å; M1-D4 PolarHBondContact N-OD1 2.86Å; M1-D4 PolarHBondContact N-OD2 3.21Å; D4-N6 PolarHBondContact O-N 2.9Å; D4-N6 VanDerWaalsContact O-N 3.17Å; D4-V7 PolarHBondContact O-N 2.99Å; D4-T8 WeakPolarHBondContact O-CG2 3.13Å; D4-T8 PolarHBondContact O-N 3.35Å; D4-T8 PolarHBondContact O-OG1 3.29Å; D4-A164 HydrophobicContact CB-CB 4.19Å; D4-V190 HydrophobicContact CB-CG1 3.95Å; D4-Y194 HydrophobicContact CB-CD2 3.96Å; D4-Y194 HydrophobicContact CB-CE2 3.69Å; D4-Y194 WeakPolarHBondContact OD2-CD2 3.29Å
5L91.9Very high86.5Confident0 Ų013.8 Ų13.80%07%0.069CC..Hα-helixtrans-60.2-29.4177.5-165.372.7000112.3V7 T8 M9 M12 I58 I100 R115L5-V7 PolarHBondContact O-N 3.28Å; L5-T8 WeakPolarHBondContact CA-OG1 3.33Å; L5-M9 WeakPolarHBondContact O-CB 2.91Å; L5-M9 PolarHBondContact O-N 2.56Å; L5-M12 HydrophobicContact CD1-CE 4.35Å; L5-M12 HydrophobicContact CD1-SD 3.75Å; L5-I58 HydrophobicContact CD2-CG2 3.69Å; L5-I100 HydrophobicContact CD1-CG2 4.43Å; L5-R115 HydrophobicContact CD2-CG 4.07Å; L5-R115 VanDerWaalsContact CD2-CZ 3.45Å
6N89.6Confident84.9Confident2 Ų215.4 Ų15.41%0.0118%0.08CC..Hα-helixtrans-62-32.6176.1-55.5-10.1000111.6V3 D4 L59 I302 T303 P306V3-N6 VanDerWaalsContact O-CB 3.32Å; V3-N6 WeakPolarHBondContact O-CB 3.32Å; V3-N6 PolarHBondContact O-N 2.87Å; D4-N6 PolarHBondContact O-N 2.9Å; D4-N6 VanDerWaalsContact O-N 3.17Å; N6-L59 WeakPolarHBondContact OD1-CD2 3.45Å; N6-I302 PolarHBondContact ND2-O 2.91Å; N6-T303 WeakPolarHBondContact ND2-CA 3.35Å; N6-P306 HydrophobicContact CB-CG 4.47Å
7V89.5Confident82.9Confident0 Ų018 Ų180%010%0.096CC..Hα-helixtrans-89.4-47.8177.6-178.20000110.8D4 L5 M9 L10 Q161 A164 P306D4-V7 PolarHBondContact O-N 2.99Å; L5-V7 PolarHBondContact O-N 3.28Å; V7-M9 PolarHBondContact O-N 3.31Å; V7-L10 WeakPolarHBondContact O-CB 3.38Å; V7-L10 PolarHBondContact O-N 3.39Å; V7-L10 VanDerWaalsContact O-N 3.12Å; V7-Q161 HydrophobicContact CG2-CB 4.12Å; V7-Q161 HydrophobicContact CG2-CG 4.13Å; V7-A164 HydrophobicContact CB-CB 3.95Å; V7-A164 HydrophobicContact CG1-CB 4.13Å; V7-P306 HydrophobicContact CG2-CB 4.2Å; V7-P306 HydrophobicContact CG2-CG 4.01Å
8T92.1Very high81.2Confident0 Ų018.8 Ų18.80%010%0.101CC..Hα-helixtrans-65-28.4-177.366.20000112.3D4 L5 L10 A11 M12 A164 S168 V190 H191D4-T8 WeakPolarHBondContact O-CG2 3.13Å; D4-T8 PolarHBondContact O-N 3.35Å; D4-T8 PolarHBondContact O-OG1 3.29Å; L5-T8 WeakPolarHBondContact CA-OG1 3.33Å; T8-L10 PolarHBondContact O-N 3.21Å; T8-L10 VanDerWaalsContact O-N 3.1Å; T8-A11 CarbonylContact O-C 3.44Å; T8-A11 WeakPolarHBondContact O-CA 3.46Å; T8-A11 PolarHBondContact O-N 3.35Å; T8-M12 VanDerWaalsContact O-CG 3.22Å; T8-M12 WeakPolarHBondContact O-CG 3.24Å; T8-M12 PolarHBondContact O-N 3.16Å; T8-A164 HydrophobicContact CG2-CB 4.26Å; T8-S168 WeakPolarHBondContact CG2-OG 3.26Å; T8-V190 HydrophobicContact CG2-CB 3.84Å; T8-V190 HydrophobicContact CG2-CG1 3.76Å; T8-V190 HydrophobicContact CG2-CG2 3.88Å; T8-H191 PolarHBondContact OG1-NE2 2.85Å; T8-H191 VanDerWaalsContact OG1-NE2 3.1Å
9M91Very high79.3Confident2 Ų225.4 Ų25.41%0.0113%0.128CC..Hα-helixtrans-53.3-33174-179.9166.6-66.200113.1L5 V7 A11 M12 V13 Q55 I58 L59L5-M9 WeakPolarHBondContact O-CB 2.91Å; L5-M9 PolarHBondContact O-N 2.56Å; V7-M9 PolarHBondContact O-N 3.31Å; M9-A11 VanDerWaalsContact C-N 3.28Å; M9-A11 PolarHBondContact O-N 3.33Å; M9-M12 PolarHBondContact O-N 3.48Å; M9-V13 HydrophobicContact CG-CG2 4.41Å; M9-V13 PolarHBondContact O-N 3.35Å; M9-Q55 HydrophobicContact CG-CG 4.32Å; M9-Q55 HydrophobicContact SD-CB 3.62Å; M9-Q55 HydrophobicContact SD-CG 3.89Å; M9-I58 HydrophobicContact CE-CB 3.78Å; M9-I58 HydrophobicContact CE-CG2 3.47Å; M9-I58 VanDerWaalsContact CE-CG2 3.47Å; M9-L59 HydrophobicContact CE-CD1 4.24Å; M9-L59 HydrophobicContact CE-CD2 3.44Å; M9-L59 VanDerWaalsContact CE-CD2 3.44Å; M9-L59 HydrophobicContact CE-CG 3.48Å; M9-L59 VanDerWaalsContact CE-CG 3.48Å; M9-L59 HydrophobicContact SD-CD1 3.61Å; M9-L59 HydrophobicContact SD-CD2 3.8Å; M9-L59 HydrophobicContact SD-CG 3.56Å; M9-L59 VanDerWaalsContact SD-CG 3.56Å
10L86.5Confident77.3Confident11 Ų1131 Ų316%0.05816%0.164CC..Hα-helixtrans-69.7-27.2177.9-57.6173.1000113.1V7 T8 P306 T307 C310 M317V7-L10 WeakPolarHBondContact O-CB 3.38Å; V7-L10 PolarHBondContact O-N 3.39Å; V7-L10 VanDerWaalsContact O-N 3.12Å; T8-L10 PolarHBondContact O-N 3.21Å; T8-L10 VanDerWaalsContact O-N 3.1Å; L10-P306 HydrophobicContact CD1-CB 3.91Å; L10-P306 WeakPolarHBondContact CD1-O 3.35Å; L10-T307 HydrophobicContact CD2-CG2 4.16Å; L10-C310 HydrophobicContact CD1-CB 4.02Å; L10-M317 HydrophobicContact CB-CE 3.35Å; L10-M317 HydrophobicContact CB-SD 3.64Å; L10-M317 HydrophobicContact CD1-CE 4.01Å; L10-M317 HydrophobicContact CD1-SD 3.64Å; L10-M317 HydrophobicContact CG-CE 4.28Å; L10-M317 HydrophobicContact CG-SD 4.3Å
11A88.5Confident75.5Confident4 Ų432.6 Ų32.63%0.03318%0.178CC..Hα-helixtrans-95.2-17.1177.300000113T8 M9 G46 S168 S185 W187T8-A11 CarbonylContact O-C 3.44Å; T8-A11 WeakPolarHBondContact O-CA 3.46Å; T8-A11 PolarHBondContact O-N 3.35Å; M9-A11 VanDerWaalsContact C-N 3.28Å; M9-A11 PolarHBondContact O-N 3.33Å; A11-G46 WeakPolarHBondContact O-CA 3.46Å; A11-S168 WeakPolarHBondContact CB-O 3.15Å; A11-S185 VanDerWaalsContact CB-OG 3.31Å; A11-S185 WeakPolarHBondContact CB-OG 3.49Å; A11-W187 HydrophobicContact CB-CB 4.34Å
12M91.2Very high73.4Confident0 Ų037.1 Ų37.10%021%0.208CC..Hα-helixtrans-78.1-34.3177-74.9171.978.600112.6L5 T8 M9 G46 E47 F48 W50 A104 L111 W187L5-M12 HydrophobicContact CD1-CE 4.35Å; L5-M12 HydrophobicContact CD1-SD 3.75Å; T8-M12 VanDerWaalsContact O-CG 3.22Å; T8-M12 WeakPolarHBondContact O-CG 3.24Å; T8-M12 PolarHBondContact O-N 3.16Å; M9-M12 PolarHBondContact O-N 3.48Å; M12-G46 CarbonylContact O-C 3.55Å; M12-E47 PolarHBondContact O-N 3.47Å; M12-F48 HydrophobicContact CB-CD2 3.89Å; M12-F48 HydrophobicContact CB-CE2 4.14Å; M12-F48 HydrophobicContact CE-CD2 4.19Å; M12-F48 HydrophobicContact CE-CE2 3.79Å; M12-F48 HydrophobicContact CG-CE2 4.3Å; M12-F48 WeakPolarHBondContact O-CD2 3.41Å; M12-F48 PolarHBondContact O-N 2.9Å; M12-W50 HydrophobicContact CE-CH2 3.63Å; M12-W50 HydrophobicContact CE-CZ3 3.75Å; M12-A104 HydrophobicContact CE-CB 3.66Å; M12-L111 HydrophobicContact CE-CD2 4Å; M12-W187 HydrophobicContact CE-CE3 4.14Å; M12-W187 HydrophobicContact CE-CH2 3.83Å; M12-W187 HydrophobicContact CE-CZ2 4.46Å; M12-W187 HydrophobicContact CE-CZ3 3.65Å; M12-W187 HydrophobicContact CG-CD2 3.41Å; M12-W187 VanDerWaalsContact CG-CD2 3.41Å; M12-W187 HydrophobicContact CG-CE3 3.56Å; M12-W187 HydrophobicContact CG-CG 3.83Å; M12-W187 HydrophobicContact CG-CH2 4.31Å; M12-W187 HydrophobicContact CG-CZ2 4.22Å; M12-W187 HydrophobicContact CG-CZ3 4.01Å; M12-W187 HydrophobicContact SD-CD2 4.29Å; M12-W187 HydrophobicContact SD-CE3 3.78Å; M12-W187 HydrophobicContact SD-CZ3 3.92Å
13V88.6Confident71Confident5 Ų541.7 Ų41.73%0.0324%0.236CC..BIsolated β-bridgetrans-102.1134.8-170.1-179.60000112.2M9 F48 W50 Q55M9-V13 HydrophobicContact CG-CG2 4.41Å; M9-V13 PolarHBondContact O-N 3.35Å; V13-F48 CarbonylContact C-O 3.58Å; V13-F48 WeakPolarHBondContact CA-O 3.5Å; V13-W50 HydrophobicContact CG1-CB 4.43Å; V13-W50 WeakPolarHBondContact CG1-O 3.07Å; V13-W50 HydrophobicContact CG2-CB 4.19Å; V13-W50 HydrophobicContact CG2-CD2 4.24Å; V13-W50 HydrophobicContact CG2-CE3 3.52Å; V13-W50 HydrophobicContact CG2-CZ3 4.23Å; V13-Q55 HydrophobicContact CG2-CG 4.05Å
14N80.5Confident68.6Low31 Ų3147.8 Ų47.817%0.16626%0.263CS..  trans-81115.7170.5-168.9-22.5000110.4T16 F48N14-T16 PolarHBondContact ND2-OG1 3.39Å; N14-T16 PolarHBondContact O-N 3.32Å; N14-T16 WeakPolarHBondContact OD1-CB 3.47Å; N14-T16 WeakPolarHBondContact OD1-CG2 3.17Å; N14-T16 PolarHBondContact OD1-N 3.36Å; N14-T16 PolarHBondContact OD1-OG1 3.32Å; N14-F48 PolarHBondContact N-O 2.91Å
15D67.9Low66Low45 Ų4554.5 Ų54.524%0.24130%0.304CS..G310 helixtrans-76.3-0.2-179.3-78.6-38.2000113.6V17 R52 R311D15-V17 VanDerWaalsContact C-N 3.28Å; D15-V17 PolarHBondContact O-N 2.89Å; D15-R52 IonicContact OD1-CZ 3.36Å; D15-R52 VanDerWaalsContact OD1-CZ 3.28Å; D15-R52 IonicContact OD1-NH1 2.87Å; D15-R52 PolarHBondContact OD1-NH1 2.9Å; D15-R52 IonicContact OD1-NH2 2.95Å; D15-R52 PolarHBondContact OD1-NH2 3.35Å; D15-R311 IonicContact OD1-CZ 3.52Å; D15-R311 IonicContact OD1-NE 3.54Å; D15-R311 PolarHBondContact OD1-NE 3.44Å; D15-R311 IonicContact OD1-NH2 3.4Å; D15-R311 PolarHBondContact OD1-NH2 3.49Å; D15-R311 IonicContact OD2-CZ 3.72Å; D15-R311 IonicContact OD2-NE 2.89Å; D15-R311 PolarHBondContact OD2-NE 2.86Å; D15-R311 IonicContact OD2-NH2 3.26Å; D15-R311 PolarHBondContact OD2-NH2 3.47Å
16T60.9Low63.6Low39 Ų3955.6 Ų55.624%0.23931%0.312CS..G310 helixtrans-70.5-18.5174.757.40000114.4N14 D18 K19 N44N14-T16 PolarHBondContact ND2-OG1 3.39Å; N14-T16 PolarHBondContact O-N 3.32Å; N14-T16 WeakPolarHBondContact OD1-CB 3.47Å; N14-T16 WeakPolarHBondContact OD1-CG2 3.17Å; N14-T16 PolarHBondContact OD1-N 3.36Å; N14-T16 PolarHBondContact OD1-OG1 3.32Å; T16-D18 PolarHBondContact O-N 3.05Å; T16-K19 HydrophobicContact CG2-CD 4.47Å; T16-K19 VanDerWaalsContact O-CB 3.26Å; T16-K19 WeakPolarHBondContact O-CB 3.42Å; T16-K19 VanDerWaalsContact O-CG 3.31Å; T16-K19 WeakPolarHBondContact O-CG 3.44Å; T16-K19 PolarHBondContact O-N 2.68Å; T16-N44 HydrophobicContact CG2-CB 4.33Å; T16-N44 WeakPolarHBondContact CG2-ND2 3.48Å
17V51.8Low61.4Low60 Ų6063.1 Ų63.136%0.36435%0.345SS..G310 helixtrans-65.2-28-178.7-1770000112.3D15 K19 N49D15-V17 VanDerWaalsContact C-N 3.28Å; D15-V17 PolarHBondContact O-N 2.89Å; V17-K19 PolarHBondContact O-N 3.41Å; V17-N49 HydrophobicContact CG2-CB 3.54Å; V17-N49 VanDerWaalsContact CG2-OD1 3.31Å; V17-N49 WeakPolarHBondContact CG2-OD1 3.22Å
18D50.7Low60Low33 Ų3367.9 Ų67.918%0.17637%0.366CS..G310 helixtrans-81.85.2179.4-69.1-15.7000112.8T16 T20 R52T16-D18 PolarHBondContact O-N 3.05Å; D18-T20 PolarHBondContact O-N 2.98Å; D18-R52 IonicContact OD2-CZ 3.32Å; D18-R52 IonicContact OD2-NE 3.29Å; D18-R52 PolarHBondContact OD2-NE 3.05Å; D18-R52 IonicContact OD2-NH2 2.9Å; D18-R52 PolarHBondContact OD2-NH2 3.02Å
19K45.7Very low58.4Low144 Ų14468.1 Ų68.163%0.62637%0.368SS*.  trans-68.319.4-178.7-76.8-176.9176.7178.40115.6T16 V17 S21T16-K19 HydrophobicContact CG2-CD 4.47Å; T16-K19 VanDerWaalsContact O-CB 3.26Å; T16-K19 WeakPolarHBondContact O-CB 3.42Å; T16-K19 VanDerWaalsContact O-CG 3.31Å; T16-K19 WeakPolarHBondContact O-CG 3.44Å; T16-K19 PolarHBondContact O-N 2.68Å; V17-K19 PolarHBondContact O-N 3.41Å; K19-S21 PolarHBondContact O-N 3.16Å
20T40Very low56.5Low136 Ų13671.6 Ų71.683%0.83439%0.392SS*.  trans-7216.3174.945.50000114.7D18D18-T20 PolarHBondContact O-N 2.98Å
21S38Very low54.7Low66 Ų6676.6 Ų76.646%0.46242%0.419SS..  trans-137.7102.4166.1-171.40000111.7K19 N23 H24K19-S21 PolarHBondContact O-N 3.16Å; S21-N23 PolarHBondContact O-N 2.93Å; S21-H24 PolarHBondContact OG-CD2 2.7Å
22T37.3Very low52.7Low137 Ų13780.9 Ų80.984%0.8444%0.437SS*.THydrogen-bonded Turntrans-76.28.9177.3340000114.7
23N34.5Very low50.4Low145 Ų14588.6 Ų88.678%0.77547%0.467SS*.THydrogen-bonded Turntrans-142.918.9-172.1-94.6-18.3000117.2S21S21-N23 PolarHBondContact O-N 2.93Å
24H34.1Very low47.9Very low143 Ų14393.6 Ų93.666%0.66249%0.494SS*.  trans-112.7103.5166.6-71-65.8000111.1S21 S26S21-H24 PolarHBondContact OG-CD2 2.7Å; H24-S26 PolarHBondContact O-N 3.49Å; H24-S26 PolarHBondContact O-OG 2.96Å
25T36.7Very low46.1Very low141 Ų141101.1 Ų101.187%0.86552%0.521SS*.  trans-55.460.2147.443.50000109.6F27T25-F27 VanDerWaalsContact C-N 3.32Å; T25-F27 PolarHBondContact O-N 3.31Å
26S40.3Very low44.7Very low24 Ų24100.7 Ų100.717%0.16852%0.52CS..  trans-84.877-169.545.70000110H24 F28H24-S26 PolarHBondContact O-N 3.49Å; H24-S26 PolarHBondContact O-OG 2.96Å; S26-F28 VanDerWaalsContact C-N 3.31Å; S26-F28 PolarHBondContact O-N 2.64Å
27F44.5Very low43.6Very low160 Ų160101.9 Ų101.970%0.70253%0.53SS*.  trans34.857.2156-72.1-89.4000114.9T25 I447T25-F27 VanDerWaalsContact C-N 3.32Å; T25-F27 PolarHBondContact O-N 3.31Å; F27-I447 HydrophobicContact CB-CD1 4.49Å; F27-I447 WeakPolarHBondContact O-CD1 3.28Å; F27-I447 WeakPolarHBondContact O-CG1 3.27Å
28F58.2Low42.8Very low99 Ų99106.2 Ų106.243%0.43455%0.55SS.*  trans-76.9152.7148.8-62.2-80.8000107.1S26 S30 R311S26-F28 VanDerWaalsContact C-N 3.31Å; S26-F28 PolarHBondContact O-N 2.64Å; F28-S30 PolarHBondContact O-N 3Å; F28-R311 WeakPolarHBondContact CD1-O 3.41Å; F28-R311 VanDerWaalsContact CE1-O 3.31Å; F28-R311 WeakPolarHBondContact CE1-O 3.41Å
29C59.9Low42Very low5 Ų5108 Ų1083%0.03456%0.563CS.*  trans-64.9107.6170.6-60.10000109.4D31 F32 C380C29-D31 PolarHBondContact O-N 2.8Å; C29-F32 PolarHBondContact O-N 3.32Å; C29-C380 WeakPolarHBondContact CA-SG 3.04Å; C29-C380 HydrophobicContact CB-CB 3.57Å; C29-C380 WeakPolarHBondContact CB-SG 3.4Å; C29-C380 WeakPolarHBondContact SG-CA 3.03Å; C29-C380 WeakPolarHBondContact SG-CB 3.5Å; C29-C380 CovalentContact SG-SG 2.05Å; C29-C380 PolarHBondContact SG-SG 2.99Å
30S49.8Very low41.5Very low75 Ų75108.9 Ų108.952%0.52457%0.574SS.*THydrogen-bonded Turntrans-58.7-21.3-158.1490000115.2F28 F32 Y33 N34F28-S30 PolarHBondContact O-N 3Å; S30-F32 PolarHBondContact O-N 3.24Å; S30-F32 VanDerWaalsContact O-N 3.09Å; S30-Y33 PolarHBondContact O-N 3.38Å; S30-N34 PolarHBondContact O-N 3.12Å
31D49Very low41.4Very low116 Ų116103.8 Ų103.862%0.6254%0.543SS*.Hα-helixtrans-60.9-23.3-179.7-61.8-22.3000112.4C29C29-D31 PolarHBondContact O-N 2.8Å
32F47.1Very low41.5Very low95 Ų95107.7 Ų107.742%0.41755%0.554SS.*Hα-helixtrans-80.1-29.8174.7-146.7-92.3000113.2C29 S30 T36 I43C29-F32 PolarHBondContact O-N 3.32Å; S30-F32 PolarHBondContact O-N 3.24Å; S30-F32 VanDerWaalsContact O-N 3.09Å; F32-T36 HydrophobicContact CD1-CG2 4.1Å; F32-T36 HydrophobicContact CE1-CG2 3.99Å; F32-T36 PolarHBondContact O-N 3.42Å; F32-T36 VanDerWaalsContact O-N 3.16Å; F32-T36 PolarHBondContact O-OG1 3.07Å; F32-I43 HydrophobicContact CE1-CD1 4.15Å
33Y42.3Very low42.1Very low162 Ų162104.6 Ų104.664%0.63553%0.532SS*.Hα-helixtrans-78.3-38.3-179.7-153.8-93.5000112.1S30 Y35 T36 S37S30-Y33 PolarHBondContact O-N 3.38Å; Y33-Y35 PolarHBondContact O-N 3.11Å; Y33-T36 WeakPolarHBondContact CA-OG1 3.36Å; Y33-T36 CarbonylContact O-C 3.59Å; Y33-T36 PolarHBondContact O-N 2.86Å; Y33-T36 PolarHBondContact O-OG1 3.29Å; Y33-S37 WeakPolarHBondContact O-CB 2.99Å; Y33-S37 PolarHBondContact O-N 2.91Å; Y33-S37 PolarHBondContact O-OG 3.43Å
34N37.1Very low43Very low110 Ų110100.8 Ų100.859%0.58851%0.511SS*.Hα-helixtrans-64-30.2176.4-81.9-4.1000112.5S30 S37 L38S30-N34 PolarHBondContact O-N 3.12Å; N34-S37 PolarHBondContact O-OG 3.36Å; N34-L38 WeakPolarHBondContact O-CD1 3.45Å
35Y41.3Very low44.4Very low189 Ų18995.1 Ų95.174%0.74149%0.489SS*.Hα-helixtrans-77.7-36173.8-118.5-92000112.7Y33 T39Y33-Y35 PolarHBondContact O-N 3.11Å; Y35-T39 PolarHBondContact O-OG1 2.93Å
36T39.3Very low46.4Very low35 Ų3589 Ų8922%0.21545%0.454CS..Hα-helixtrans-84.4-18.217944.60000114.4F32 Y33 L38 T39 I43F32-T36 HydrophobicContact CD1-CG2 4.1Å; F32-T36 HydrophobicContact CE1-CG2 3.99Å; F32-T36 PolarHBondContact O-N 3.42Å; F32-T36 VanDerWaalsContact O-N 3.16Å; F32-T36 PolarHBondContact O-OG1 3.07Å; Y33-T36 WeakPolarHBondContact CA-OG1 3.36Å; Y33-T36 CarbonylContact O-C 3.59Å; Y33-T36 PolarHBondContact O-N 2.86Å; Y33-T36 PolarHBondContact O-OG1 3.29Å; T36-L38 VanDerWaalsContact C-N 3.31Å; T36-T39 CarbonylContact O-C 3.34Å; T36-I43 HydrophobicContact CG2-CD1 3.58Å
37S37.3Very low48.6Very low65 Ų6591.7 Ų91.746%0.45546%0.464SS..Hα-helixtrans-75-25.3170.464.60000112Y33 N34Y33-S37 WeakPolarHBondContact O-CB 2.99Å; Y33-S37 PolarHBondContact O-N 2.91Å; Y33-S37 PolarHBondContact O-OG 3.43Å; N34-S37 PolarHBondContact O-OG 3.36Å
38L35.8Very low50.8Low150 Ų15085 Ų8579%0.78544%0.435SS*.Hα-helixtrans-79.4-22.5176.3-81.2160.5000112.7N34 T36N34-L38 WeakPolarHBondContact O-CD1 3.45Å; T36-L38 VanDerWaalsContact C-N 3.31Å
39T34.1Very low52.2Low70 Ų7085.6 Ų85.643%0.42944%0.442SS..SBendtrans-124.8109172.355.40000108.9Y35 T36 T41Y35-T39 PolarHBondContact O-OG1 2.93Å; T36-T39 CarbonylContact O-C 3.34Å; T39-T41 PolarHBondContact O-N 3.1Å; T39-T41 PolarHBondContact O-OG1 2.82Å; T39-T41 PolarHBondContact OG1-OG1 3.36Å; T39-T41 VanDerWaalsContact OG1-OG1 3.1Å
40N34Very low53.7Low163 Ų16386.6 Ų86.687%0.87245%0.445SS*.  trans-59.932.4167.1-86.5-17.1000113.4E42N40-E42 PolarHBondContact O-N 2.95Å
41T38Very low55.5Low29 Ų2986.6 Ų86.618%0.17844%0.439CS..  trans-67.498.4165.845.60000107.2T39 I43 P181 Y183T39-T41 PolarHBondContact O-N 3.1Å; T39-T41 PolarHBondContact O-OG1 2.82Å; T39-T41 PolarHBondContact OG1-OG1 3.36Å; T39-T41 VanDerWaalsContact OG1-OG1 3.1Å; T41-I43 PolarHBondContact O-N 3.11Å; T41-P181 HydrophobicContact CG2-CG 4.35Å; T41-Y183 HydrophobicContact CG2-CE2 3.89Å; T41-Y183 WeakPolarHBondContact CG2-OH 3.48Å
42E41Very low57.2Low149 Ų14981.9 Ų81.970%0.69641%0.413SS*.  trans-57.791.1157.7-66.3-173146.200107.6N40 N44N40-E42 PolarHBondContact O-N 2.95Å; E42-N44 PolarHBondContact O-N 3.02Å
43I49.8Very low59.2Low72 Ų7281.2 Ų81.237%0.36941%0.413SS..  trans-66.6-2.8174.2-64.1171.1000110.7F32 T36 T41 A45F32-I43 HydrophobicContact CE1-CD1 4.15Å; T36-I43 HydrophobicContact CG2-CD1 3.58Å; T41-I43 PolarHBondContact O-N 3.11Å; I43-A45 VanDerWaalsContact C-N 3.3Å; I43-A45 PolarHBondContact O-N 3.11Å
44N53.1Low61.5Low65 Ų6575 Ų7535%0.34839%0.392SS..  trans-8170.4-174.5-67-24.4000112.1T16 E42 G46T16-N44 HydrophobicContact CG2-CB 4.33Å; T16-N44 WeakPolarHBondContact CG2-ND2 3.48Å; E42-N44 PolarHBondContact O-N 3.02Å; N44-G46 PolarHBondContact O-N 3.43Å
45A63.3Low64.1Low23 Ų2370.3 Ų70.319%0.1937%0.367CS..  trans-79.510179.300000114.9I43 P170 Y183I43-A45 VanDerWaalsContact C-N 3.3Å; I43-A45 PolarHBondContact O-N 3.11Å; A45-P170 HydrophobicContact CB-CB 3.96Å; A45-P170 HydrophobicContact CB-CG 4.22Å; A45-Y183 WeakPolarHBondContact CB-O 3.44Å
46G79.8Confident66.4Low12 Ų1261.5 Ų61.512%0.12433%0.333CS..  trans-71.8133-176.200000112.7A11 M12 N44 F48A11-G46 WeakPolarHBondContact O-CA 3.46Å; M12-G46 CarbonylContact O-C 3.55Å; N44-G46 PolarHBondContact O-N 3.43Å; G46-F48 VanDerWaalsContact C-N 3.34Å
47E85.4Confident69Low82 Ų8263.2 Ų63.238%0.38334%0.341SS..SBendtrans-75-21.6-180-68.7174.2-134.900112.8M12 R105 W187M12-E47 PolarHBondContact O-N 3.47Å; E47-R105 IonicContact OE1-NH2 2.68Å; E47-R105 PolarHBondContact OE1-NH2 2.73Å; E47-R105 IonicContact OE2-CZ 2.73Å; E47-R105 IonicContact OE2-NE 3.54Å; E47-R105 PolarHBondContact OE2-NE 2.86Å; E47-R105 IonicContact OE2-NH2 3.53Å; E47-R105 PolarHBondContact OE2-NH2 3.22Å; E47-W187 PolarHBondContact OE1-NE1 3.25Å
48F90.9Very high71.7Confident20 Ų2060.1 Ų60.19%0.08832%0.319CS..BIsolated β-bridgetrans-119.4139.3-168.3-48.7-54.1000114.6M12 V13 N14 G46 W50 A104 R105 W187M12-F48 HydrophobicContact CB-CD2 3.89Å; M12-F48 HydrophobicContact CB-CE2 4.14Å; M12-F48 HydrophobicContact CE-CD2 4.19Å; M12-F48 HydrophobicContact CE-CE2 3.79Å; M12-F48 HydrophobicContact CG-CE2 4.3Å; M12-F48 WeakPolarHBondContact O-CD2 3.41Å; M12-F48 PolarHBondContact O-N 2.9Å; V13-F48 CarbonylContact C-O 3.58Å; V13-F48 WeakPolarHBondContact CA-O 3.5Å; N14-F48 PolarHBondContact N-O 2.91Å; G46-F48 VanDerWaalsContact C-N 3.34Å; F48-W50 HydrophobicContact CB-CD2 3.76Å; F48-W50 HydrophobicContact CB-CE3 4.24Å; F48-W50 HydrophobicContact CB-CG 4.14Å; F48-W50 HydrophobicContact CB-CH2 4.3Å; F48-W50 HydrophobicContact CB-CZ2 3.84Å; F48-W50 HydrophobicContact CB-CZ3 4.48Å; F48-W50 HydrophobicContact CD1-CZ2 4.16Å; F48-W50 HydrophobicContact CD2-CE3 4.42Å; F48-W50 AromaticContact CD2-CH2 3.41Å; F48-W50 HydrophobicContact CD2-CH2 3.41Å; F48-W50 VanDerWaalsContact CD2-CH2 3.41Å; F48-W50 AromaticContact CD2-CZ2 3.59Å; F48-W50 HydrophobicContact CD2-CZ2 3.59Å; F48-W50 AromaticContact CD2-CZ3 3.86Å; F48-W50 HydrophobicContact CD2-CZ3 3.86Å; F48-W50 AromaticContact CE2-CH2 3.92Å; F48-W50 HydrophobicContact CE2-CH2 3.92Å; F48-W50 HydrophobicContact CE2-CZ2 4.23Å; F48-W50 HydrophobicContact CG-CD2 4.38Å; F48-W50 AromaticContact CG-CE2 3.81Å; F48-W50 AromaticContact CG-CH2 3.9Å; F48-W50 HydrophobicContact CG-CH2 3.9Å; F48-W50 AromaticContact CG-CZ2 3.56Å; F48-W50 HydrophobicContact CG-CZ2 3.56Å; F48-W50 HydrophobicContact CG-CZ3 4.43Å; F48-W50 PolarHBondContact O-N 3.42Å; F48-A104 WeakPolarHBondContact CE1-O 3.49Å; F48-A104 HydrophobicContact CE2-CB 3.74Å; F48-A104 HydrophobicContact CZ-CB 3.75Å; F48-R105 HydrophobicContact CE1-CB 4.3Å; F48-R105 HydrophobicContact CE1-CG 3.81Å; F48-R105 HydrophobicContact CZ-CB 4.47Å; F48-R105 HydrophobicContact CZ-CG 3.69Å; F48-W187 AromaticContact CE2-CH2 3.87Å; F48-W187 HydrophobicContact CE2-CH2 3.87Å; F48-W187 AromaticContact CE2-CZ2 3.53Å; F48-W187 HydrophobicContact CE2-CZ2 3.53Å; F48-W187 HydrophobicContact CZ-CH2 4.06Å; F48-W187 AromaticContact CZ-CZ2 3.66Å; F48-W187 HydrophobicContact CZ-CZ2 3.66Å
49N88.4Confident74.4Confident111 Ų11153.4 Ų53.459%0.59428%0.284SS*.  trans-95.860.8178-70.2-26.9000111.9V17V17-N49 HydrophobicContact CG2-CB 3.54Å; V17-N49 VanDerWaalsContact CG2-OD1 3.31Å; V17-N49 WeakPolarHBondContact CG2-OD1 3.22Å
50W90Very high77.1Confident26 Ų2650.1 Ų50.110%0.09826%0.264CS..  trans-95.6124.7-180-59.3-24.6000112M12 V13 F48 T54 Q55 I58 A104 A108 L111M12-W50 HydrophobicContact CE-CH2 3.63Å; M12-W50 HydrophobicContact CE-CZ3 3.75Å; V13-W50 HydrophobicContact CG1-CB 4.43Å; V13-W50 WeakPolarHBondContact CG1-O 3.07Å; V13-W50 HydrophobicContact CG2-CB 4.19Å; V13-W50 HydrophobicContact CG2-CD2 4.24Å; V13-W50 HydrophobicContact CG2-CE3 3.52Å; V13-W50 HydrophobicContact CG2-CZ3 4.23Å; F48-W50 HydrophobicContact CB-CD2 3.76Å; F48-W50 HydrophobicContact CB-CE3 4.24Å; F48-W50 HydrophobicContact CB-CG 4.14Å; F48-W50 HydrophobicContact CB-CH2 4.3Å; F48-W50 HydrophobicContact CB-CZ2 3.84Å; F48-W50 HydrophobicContact CB-CZ3 4.48Å; F48-W50 HydrophobicContact CD1-CZ2 4.16Å; F48-W50 HydrophobicContact CD2-CE3 4.42Å; F48-W50 AromaticContact CD2-CH2 3.41Å; F48-W50 HydrophobicContact CD2-CH2 3.41Å; F48-W50 VanDerWaalsContact CD2-CH2 3.41Å; F48-W50 AromaticContact CD2-CZ2 3.59Å; F48-W50 HydrophobicContact CD2-CZ2 3.59Å; F48-W50 AromaticContact CD2-CZ3 3.86Å; F48-W50 HydrophobicContact CD2-CZ3 3.86Å; F48-W50 AromaticContact CE2-CH2 3.92Å; F48-W50 HydrophobicContact CE2-CH2 3.92Å; F48-W50 HydrophobicContact CE2-CZ2 4.23Å; F48-W50 HydrophobicContact CG-CD2 4.38Å; F48-W50 AromaticContact CG-CE2 3.81Å; F48-W50 AromaticContact CG-CH2 3.9Å; F48-W50 HydrophobicContact CG-CH2 3.9Å; F48-W50 AromaticContact CG-CZ2 3.56Å; F48-W50 HydrophobicContact CG-CZ2 3.56Å; F48-W50 HydrophobicContact CG-CZ3 4.43Å; F48-W50 PolarHBondContact O-N 3.42Å; W50-T54 HydrophobicContact CB-CG2 4.03Å; W50-T54 HydrophobicContact CG-CG2 4.07Å; W50-Q55 HydrophobicContact CB-CG 4.39Å; W50-Q55 PolarHBondContact O-NE2 3.44Å; W50-I58 HydrophobicContact CD2-CD1 4Å; W50-I58 HydrophobicContact CE3-CD1 3.58Å; W50-I58 HydrophobicContact CH2-CD1 4.27Å; W50-I58 HydrophobicContact CZ3-CD1 3.74Å; W50-A104 HydrophobicContact CH2-CB 3.92Å; W50-A104 HydrophobicContact CZ2-CB 4.33Å; W50-A108 HydrophobicContact CZ2-CB 4.4Å; W50-L111 HydrophobicContact CH2-CD2 3.49Å; W50-L111 VanDerWaalsContact CH2-CD2 3.49Å; W50-L111 HydrophobicContact CZ2-CD2 4.39Å; W50-L111 HydrophobicContact CZ3-CD2 3.87Å
51N88.2Confident80Confident74 Ų7442.5 Ų42.540%0.39622%0.224SC..  trans-65.2167173.272.129.9000111.7L53 T54 Q55N51-L53 VanDerWaalsContact C-N 3.27Å; N51-L53 PolarHBondContact O-N 3.23Å; N51-L53 PolarHBondContact OD1-N 3.17Å; N51-L53 VanDerWaalsContact OD1-N 3.15Å; N51-T54 PolarHBondContact O-N 3.36Å; N51-T54 WeakPolarHBondContact OD1-CB 3.01Å; N51-T54 PolarHBondContact OD1-N 3.38Å; N51-T54 PolarHBondContact OD1-OG1 3.2Å; N51-Q55 PolarHBondContact O-N 2.71Å
52R85.6Confident82.7Confident17 Ų1741.2 Ų41.26%0.06422%0.216CC..Hα-helixtrans-60.3-32.8-178.2-62.2-68.5179.3-140.1-2.9114.2D15 D18 Q55 G56 G438D15-R52 IonicContact OD1-CZ 3.36Å; D15-R52 VanDerWaalsContact OD1-CZ 3.28Å; D15-R52 IonicContact OD1-NH1 2.87Å; D15-R52 PolarHBondContact OD1-NH1 2.9Å; D15-R52 IonicContact OD1-NH2 2.95Å; D15-R52 PolarHBondContact OD1-NH2 3.35Å; D18-R52 IonicContact OD2-CZ 3.32Å; D18-R52 IonicContact OD2-NE 3.29Å; D18-R52 PolarHBondContact OD2-NE 3.05Å; D18-R52 IonicContact OD2-NH2 2.9Å; D18-R52 PolarHBondContact OD2-NH2 3.02Å; R52-Q55 VanDerWaalsContact NH1-OE1 3.11Å; R52-Q55 PolarHBondContact O-N 3.17Å; R52-G56 PolarHBondContact O-N 3Å; R52-G438 VanDerWaalsContact CB-O 3.26Å; R52-G438 WeakPolarHBondContact CB-O 3.39Å
53L87.7Confident85.2Confident82 Ų8234.2 Ų34.243%0.42918%0.183SC..Hα-helixtrans-68.6-43.9177.5-179.661.3000111N51 Q55 G56 L57 L435N51-L53 VanDerWaalsContact C-N 3.27Å; N51-L53 PolarHBondContact O-N 3.23Å; N51-L53 PolarHBondContact OD1-N 3.17Å; N51-L53 VanDerWaalsContact OD1-N 3.15Å; L53-Q55 VanDerWaalsContact C-N 3.35Å; L53-G56 PolarHBondContact O-N 3.45Å; L53-L57 HydrophobicContact CG-CD1 4.28Å; L53-L57 WeakPolarHBondContact O-CG 3.3Å; L53-L57 PolarHBondContact O-N 3.11Å; L53-L435 HydrophobicContact CD1-CD2 4.35Å
54T92.2Very high87.3Confident32 Ų3237.3 Ų37.320%0.19619%0.19CC..Hα-helixtrans-62.1-42.1174.9-59.20000111.3W50 N51 L57 I58 A108W50-T54 HydrophobicContact CB-CG2 4.03Å; W50-T54 HydrophobicContact CG-CG2 4.07Å; N51-T54 PolarHBondContact O-N 3.36Å; N51-T54 WeakPolarHBondContact OD1-CB 3.01Å; N51-T54 PolarHBondContact OD1-N 3.38Å; N51-T54 PolarHBondContact OD1-OG1 3.2Å; T54-L57 PolarHBondContact O-N 2.83Å; T54-I58 HydrophobicContact CG2-CD1 3.95Å; T54-I58 WeakPolarHBondContact O-CD1 3.36Å; T54-I58 VanDerWaalsContact O-CG1 3.31Å; T54-I58 WeakPolarHBondContact O-CG1 3.36Å; T54-I58 PolarHBondContact O-N 3.17Å; T54-A108 HydrophobicContact CG2-CB 3.89Å
55Q91Very high89.2Confident10 Ų1034.2 Ų34.25%0.04717%0.174CC..Hα-helixtrans-57.2-49.6172.2-72.1171.353.700111.3M9 V13 W50 N51 R52 L53 L57 I58 L59M9-Q55 HydrophobicContact CG-CG 4.32Å; M9-Q55 HydrophobicContact SD-CB 3.62Å; M9-Q55 HydrophobicContact SD-CG 3.89Å; V13-Q55 HydrophobicContact CG2-CG 4.05Å; W50-Q55 HydrophobicContact CB-CG 4.39Å; W50-Q55 PolarHBondContact O-NE2 3.44Å; N51-Q55 PolarHBondContact O-N 2.71Å; R52-Q55 VanDerWaalsContact NH1-OE1 3.11Å; R52-Q55 PolarHBondContact O-N 3.17Å; L53-Q55 VanDerWaalsContact C-N 3.35Å; Q55-L57 VanDerWaalsContact C-N 3.33Å; Q55-L57 PolarHBondContact O-N 3.45Å; Q55-I58 PolarHBondContact O-N 2.98Å; Q55-L59 WeakPolarHBondContact O-CG 3.44Å; Q55-L59 PolarHBondContact O-N 3.12Å
56G90Very high90.6Very high4 Ų434.1 Ų34.14%0.04117%0.169CC..Hα-helixtrans-59.4-40.2176.300000113.3R52 L53 L59 G60R52-G56 PolarHBondContact O-N 3Å; L53-G56 PolarHBondContact O-N 3.45Å; G56-L59 PolarHBondContact O-N 3.36Å; G56-G60 PolarHBondContact O-N 3.45Å
57L93.5Very high91.1Very high72 Ų7234.9 Ų34.938%0.37717%0.17SC..Hα-helixtrans-63-46.4175-76.3164.1000111.9L53 T54 Q55 L59 G60 A61 I112 L435L53-L57 HydrophobicContact CG-CD1 4.28Å; L53-L57 WeakPolarHBondContact O-CG 3.3Å; L53-L57 PolarHBondContact O-N 3.11Å; T54-L57 PolarHBondContact O-N 2.83Å; Q55-L57 VanDerWaalsContact C-N 3.33Å; Q55-L57 PolarHBondContact O-N 3.45Å; L57-L59 PolarHBondContact O-N 3.47Å; L57-G60 PolarHBondContact O-N 3.01Å; L57-A61 WeakPolarHBondContact O-CB 3.48Å; L57-A61 PolarHBondContact O-N 2.96Å; L57-I112 HydrophobicContact CB-CD1 4.12Å; L57-L435 HydrophobicContact CB-CD2 4.37Å; L57-L435 HydrophobicContact CD2-CD2 3.55Å; L57-L435 HydrophobicContact CG-CD2 3.66Å
58I94.7Very high91.4Very high0 Ų036.3 Ų36.30%018%0.179CC..Hα-helixtrans-61.6-43.2178.1-69.3160.7000111.3L5 M9 W50 T54 Q55 A108 L111 I112 R115L5-I58 HydrophobicContact CD2-CG2 3.69Å; M9-I58 HydrophobicContact CE-CB 3.78Å; M9-I58 HydrophobicContact CE-CG2 3.47Å; M9-I58 VanDerWaalsContact CE-CG2 3.47Å; W50-I58 HydrophobicContact CD2-CD1 4Å; W50-I58 HydrophobicContact CE3-CD1 3.58Å; W50-I58 HydrophobicContact CH2-CD1 4.27Å; W50-I58 HydrophobicContact CZ3-CD1 3.74Å; T54-I58 HydrophobicContact CG2-CD1 3.95Å; T54-I58 WeakPolarHBondContact O-CD1 3.36Å; T54-I58 VanDerWaalsContact O-CG1 3.31Å; T54-I58 WeakPolarHBondContact O-CG1 3.36Å; T54-I58 PolarHBondContact O-N 3.17Å; Q55-I58 PolarHBondContact O-N 2.98Å; I58-A108 HydrophobicContact CD1-CB 4.48Å; I58-L111 HydrophobicContact CD1-CD2 4.09Å; I58-L111 HydrophobicContact CG1-CD2 4.39Å; I58-L111 HydrophobicContact CG2-CD2 3.78Å; I58-L111 HydrophobicContact CG2-CG 3.95Å; I58-I112 HydrophobicContact CB-CG1 4.43Å; I58-I112 HydrophobicContact CG1-CD1 4.24Å; I58-I112 HydrophobicContact CG1-CG1 3.63Å; I58-R115 HydrophobicContact CG2-CG 4.4Å
59L91.4Very high91.4Very high8 Ų836.5 Ų36.54%0.04218%0.182CC..Hα-helixtrans-68.2-44.8178.5-66.4176000111.8N6 M9 Q55 G56 L57 T303 P434N6-L59 WeakPolarHBondContact OD1-CD2 3.45Å; M9-L59 HydrophobicContact CE-CD1 4.24Å; M9-L59 HydrophobicContact CE-CD2 3.44Å; M9-L59 VanDerWaalsContact CE-CD2 3.44Å; M9-L59 HydrophobicContact CE-CG 3.48Å; M9-L59 VanDerWaalsContact CE-CG 3.48Å; M9-L59 HydrophobicContact SD-CD1 3.61Å; M9-L59 HydrophobicContact SD-CD2 3.8Å; M9-L59 HydrophobicContact SD-CG 3.56Å; M9-L59 VanDerWaalsContact SD-CG 3.56Å; Q55-L59 WeakPolarHBondContact O-CG 3.44Å; Q55-L59 PolarHBondContact O-N 3.12Å; G56-L59 PolarHBondContact O-N 3.36Å; L57-L59 PolarHBondContact O-N 3.47Å; L59-T303 HydrophobicContact CB-CG2 3.63Å; L59-T303 HydrophobicContact CD1-CG2 3.67Å; L59-T303 HydrophobicContact CD2-CG2 4.25Å; L59-T303 HydrophobicContact CG-CG2 4.03Å; L59-P434 HydrophobicContact CB-CB 4.21Å
60G91.5Very high91.2Very high2 Ų232 Ų322%0.02116%0.157CC..Hα-helixtrans-72-25.6-179.400000114.4G56 L57 F62 F63G56-G60 PolarHBondContact O-N 3.45Å; L57-G60 PolarHBondContact O-N 3.01Å; G60-F62 PolarHBondContact O-N 2.91Å; G60-F62 VanDerWaalsContact O-N 3.13Å; G60-F63 PolarHBondContact O-N 3.06Å
61A94.6Very high91Very high3 Ų334.9 Ų34.93%0.02517%0.174CC..Hα-helixtrans-54.8-32.8-178.100000114L57 F63 W64 I112 R115 V116L57-A61 WeakPolarHBondContact O-CB 3.48Å; L57-A61 PolarHBondContact O-N 2.96Å; A61-F63 PolarHBondContact O-N 2.87Å; A61-W64 WeakPolarHBondContact O-CB 3.38Å; A61-W64 PolarHBondContact O-N 2.99Å; A61-I112 HydrophobicContact CB-CG2 3.91Å; A61-R115 HydrophobicContact CB-CB 3.68Å; A61-V116 HydrophobicContact CB-CG2 4.14Å; A61-V116 WeakPolarHBondContact O-CG2 3.35Å
62F94.6Very high90.9Very high1 Ų134.3 Ų34.30%0.00417%0.174CC..Hα-helixtrans-53.3-41.2174174.1-92.9000112.4R2 G60 W64 G65 Y66 R115 Q118 G119 Q122R2-F62 HydrophobicContact CG-CD1 4.4Å; R2-F62 HydrophobicContact CG-CE1 4.26Å; R2-F62 HydrophobicContact CG-CE2 4.49Å; R2-F62 HydrophobicContact CG-CZ 4.3Å; G60-F62 PolarHBondContact O-N 2.91Å; G60-F62 VanDerWaalsContact O-N 3.13Å; F62-W64 PolarHBondContact O-N 2.8Å; F62-G65 PolarHBondContact O-N 3.07Å; F62-Y66 AromaticContact CE1-CD2 3.85Å; F62-Y66 HydrophobicContact CE1-CD2 3.85Å; F62-Y66 AromaticContact CE1-CG 3.92Å; F62-Y66 HydrophobicContact CE1-CG 3.92Å; F62-Y66 AromaticContact CZ-CD2 3.77Å; F62-Y66 HydrophobicContact CZ-CD2 3.77Å; F62-Y66 HydrophobicContact CZ-CE2 4.45Å; F62-Y66 HydrophobicContact CZ-CG 4.29Å; F62-Y66 WeakPolarHBondContact O-CB 3.49Å; F62-Y66 PolarHBondContact O-N 3.41Å; F62-R115 WeakPolarHBondContact CA-O 3.49Å; F62-Q118 HydrophobicContact CD2-CB 4.16Å; F62-Q118 HydrophobicContact CE2-CB 4.45Å; F62-G119 WeakPolarHBondContact O-CA 3.36Å; F62-Q122 HydrophobicContact CE2-CB 4.05Å; F62-Q122 HydrophobicContact CE2-CG 4.26Å; F62-Q122 VanDerWaalsContact CE2-OE1 3.23Å; F62-Q122 HydrophobicContact CZ-CB 3.98Å; F62-Q122 VanDerWaalsContact CZ-OE1 3.29Å
63F93.4Very high90.9Very high2 Ų233.5 Ų33.51%0.00917%0.171CC..Hα-helixtrans-76-25-173.4-64.1-86.1000113.5G60 A61 G65 Y66 I67 Y299 T427 G430 I431G60-F63 PolarHBondContact O-N 3.06Å; A61-F63 PolarHBondContact O-N 2.87Å; F63-G65 VanDerWaalsContact C-N 3.3Å; F63-G65 PolarHBondContact O-N 2.6Å; F63-Y66 PolarHBondContact O-N 3.33Å; F63-I67 WeakPolarHBondContact O-CG2 3.42Å; F63-I67 PolarHBondContact O-N 3.04Å; F63-Y299 HydrophobicContact CD1-CD2 4.5Å; F63-Y299 HydrophobicContact CD1-CE2 4.39Å; F63-Y299 AromaticContact CE1-CD1 3.84Å; F63-Y299 HydrophobicContact CE1-CD1 3.84Å; F63-Y299 AromaticContact CE1-CD2 3.71Å; F63-Y299 HydrophobicContact CE1-CD2 3.71Å; F63-Y299 AromaticContact CE1-CE1 3.87Å; F63-Y299 HydrophobicContact CE1-CE1 3.87Å; F63-Y299 AromaticContact CE1-CE2 3.76Å; F63-Y299 HydrophobicContact CE1-CE2 3.76Å; F63-Y299 AromaticContact CE1-CG 3.74Å; F63-Y299 HydrophobicContact CE1-CG 3.74Å; F63-Y299 AromaticContact CE1-CZ 3.83Å; F63-Y299 AromaticContact CZ-CD1 3.89Å; F63-Y299 HydrophobicContact CZ-CD1 3.89Å; F63-Y299 HydrophobicContact CZ-CD2 4.05Å; F63-Y299 HydrophobicContact CZ-CE1 4.37Å; F63-Y299 AromaticContact CZ-CG 3.69Å; F63-Y299 HydrophobicContact CZ-CG 3.69Å; F63-T427 HydrophobicContact CB-CG2 4.32Å; F63-T427 HydrophobicContact CD1-CG2 4Å; F63-G430 WeakPolarHBondContact CD2-O 3.21Å; F63-G430 VanDerWaalsContact CE2-CA 3.48Å; F63-G430 WeakPolarHBondContact CE2-O 3.25Å; F63-G430 VanDerWaalsContact CZ-CA 3.49Å; F63-I431 HydrophobicContact CB-CD1 4.42Å; F63-I431 HydrophobicContact CB-CG1 3.47Å; F63-I431 VanDerWaalsContact CB-CG1 3.47Å
64W93.4Very high90.6Very high138 Ų13830.4 Ų30.452%0.52316%0.159SC..Hα-helixtrans-60.7-41.1171-82.1110.8000111.8A61 F62 I67 L68 V116 I431A61-W64 WeakPolarHBondContact O-CB 3.38Å; A61-W64 PolarHBondContact O-N 2.99Å; F62-W64 PolarHBondContact O-N 2.8Å; W64-I67 WeakPolarHBondContact O-CG2 3.43Å; W64-L68 WeakPolarHBondContact O-CD1 3.4Å; W64-L68 WeakPolarHBondContact O-CG 3.25Å; W64-V116 HydrophobicContact CB-CG2 4.32Å; W64-I431 HydrophobicContact CD2-CD1 3.82Å; W64-I431 HydrophobicContact CD2-CG2 4.44Å; W64-I431 HydrophobicContact CE3-CD1 4.08Å; W64-I431 HydrophobicContact CG-CD1 4.15Å; W64-I431 HydrophobicContact CG-CG1 4.43Å; W64-I431 HydrophobicContact CZ2-CD1 4.41Å; W64-I431 HydrophobicContact CZ2-CG2 3.95Å; W64-I431 HydrophobicContact CZ3-CD1 4.47Å; W64-I431 VanDerWaalsContact NE1-CG2 3.29Å
65G92.9Very high90.2Very high0 Ų034.3 Ų34.30%018%0.177CC..Hα-helixtrans-73.4-44.117300000112.3F62 F63 I67 L68 V116 L120F62-G65 PolarHBondContact O-N 3.07Å; F63-G65 VanDerWaalsContact C-N 3.3Å; F63-G65 PolarHBondContact O-N 2.6Å; G65-I67 VanDerWaalsContact C-N 3.32Å; G65-I67 PolarHBondContact O-N 2.95Å; G65-L68 PolarHBondContact O-N 3.38Å; G65-L68 VanDerWaalsContact O-N 3.16Å; G65-V116 WeakPolarHBondContact CA-O 3.12Å; G65-L120 VanDerWaalsContact C-N 3.34Å; G65-L120 WeakPolarHBondContact O-CD2 3.12Å
66Y92.6Very high89.9Confident20 Ų2037.1 Ų37.18%0.07819%0.193CC..Hα-helixtrans-59.4-40.1-173.8-171.2-104.2000112.9F62 F63 L68 Q70 G119 Q122 T427F62-Y66 AromaticContact CE1-CD2 3.85Å; F62-Y66 HydrophobicContact CE1-CD2 3.85Å; F62-Y66 AromaticContact CE1-CG 3.92Å; F62-Y66 HydrophobicContact CE1-CG 3.92Å; F62-Y66 AromaticContact CZ-CD2 3.77Å; F62-Y66 HydrophobicContact CZ-CD2 3.77Å; F62-Y66 HydrophobicContact CZ-CE2 4.45Å; F62-Y66 HydrophobicContact CZ-CG 4.29Å; F62-Y66 WeakPolarHBondContact O-CB 3.49Å; F62-Y66 PolarHBondContact O-N 3.41Å; F63-Y66 PolarHBondContact O-N 3.33Å; Y66-L68 VanDerWaalsContact C-N 3.33Å; Y66-L68 PolarHBondContact O-N 3.44Å; Y66-Q70 VanDerWaalsContact CD1-NE2 3.32Å; Y66-Q70 HydrophobicContact CE1-CG 4.41Å; Y66-Q70 WeakPolarHBondContact O-CG 3.44Å; Y66-G119 VanDerWaalsContact CA-O 3.26Å; Y66-G119 WeakPolarHBondContact CA-O 3.3Å; Y66-G119 VanDerWaalsContact N-C 3.28Å; Y66-G119 PolarHBondContact N-O 2.63Å; Y66-Q122 HydrophobicContact CD2-CB 4.38Å; Y66-T427 HydrophobicContact CD1-CG2 3.73Å; Y66-T427 HydrophobicContact CE1-CG2 4.5Å
67I90.8Very high89.6Confident29 Ų2937.3 Ų37.315%0.14919%0.194CC..Hα-helixtrans-67.1-32.5-179.6-163.3171.2000112.9F63 W64 G65 T69 T424 T427 L428F63-I67 WeakPolarHBondContact O-CG2 3.42Å; F63-I67 PolarHBondContact O-N 3.04Å; W64-I67 WeakPolarHBondContact O-CG2 3.43Å; G65-I67 VanDerWaalsContact C-N 3.32Å; G65-I67 PolarHBondContact O-N 2.95Å; I67-T69 PolarHBondContact O-N 3.34Å; I67-T424 HydrophobicContact CD1-CG2 3.95Å; I67-T424 VanDerWaalsContact CD1-O 3.24Å; I67-T424 WeakPolarHBondContact CD1-O 3.23Å; I67-T424 HydrophobicContact CG1-CG2 3.66Å; I67-T427 HydrophobicContact CB-CG2 3.91Å; I67-T427 HydrophobicContact CG1-CG2 4.34Å; I67-L428 HydrophobicContact CD1-CD2 3.83Å; I67-L428 HydrophobicContact CD1-CG 4.23Å
68L91.1Very high89Confident111 Ų11142.5 Ų42.558%0.58121%0.214SC*.Hα-helixtrans-72.9-27.2-173.2-69.6172.6000113.2W64 G65 Y66 P72 L120W64-L68 WeakPolarHBondContact O-CD1 3.4Å; W64-L68 WeakPolarHBondContact O-CG 3.25Å; G65-L68 PolarHBondContact O-N 3.38Å; G65-L68 VanDerWaalsContact O-N 3.16Å; Y66-L68 VanDerWaalsContact C-N 3.33Å; Y66-L68 PolarHBondContact O-N 3.44Å; L68-P72 VanDerWaalsContact O-CD 3.29Å; L68-P72 WeakPolarHBondContact O-CD 3.23Å; L68-P72 WeakPolarHBondContact O-CG 3.34Å; L68-L120 HydrophobicContact CB-CD2 3.84Å; L68-L120 HydrophobicContact CD1-CD2 3.99Å
69T90.9Very high88.6Confident25 Ų2552.3 Ų52.315%0.15325%0.251CS..Hα-helixtrans-107.7-1.5-172.356.90000114.8I67 G73 L120 G123I67-T69 PolarHBondContact O-N 3.34Å; T69-G73 WeakPolarHBondContact O-CA 3.42Å; T69-G73 PolarHBondContact O-N 3.04Å; T69-L120 WeakPolarHBondContact CB-O 3.29Å; T69-L120 HydrophobicContact CG2-CB 4.11Å; T69-L120 HydrophobicContact CG2-CD2 3.68Å; T69-L120 VanDerWaalsContact CG2-O 3.32Å; T69-L120 WeakPolarHBondContact CG2-O 3.09Å; T69-L120 PolarHBondContact OG1-O 3.46Å; T69-G123 VanDerWaalsContact OG1-CA 3.31Å; T69-G123 WeakPolarHBondContact OG1-CA 3.3Å
70Q85.4Confident88.5Confident15 Ų1557.2 Ų57.27%0.0727%0.272CS..Hα-helixtrans-62.6-49.9177.8-75.5-173.735.600113.3Y66 G74 N423 T427Y66-Q70 VanDerWaalsContact CD1-NE2 3.32Å; Y66-Q70 HydrophobicContact CE1-CG 4.41Å; Y66-Q70 WeakPolarHBondContact O-CG 3.44Å; Q70-G74 PolarHBondContact O-N 3.48Å; Q70-N423 PolarHBondContact OE1-ND2 3.48Å; Q70-T427 PolarHBondContact NE2-OG1 2.97Å; Q70-T427 VanDerWaalsContact NE2-OG1 3.1Å
71I84.3Confident88.3Confident88 Ų8857.7 Ų57.745%0.45128%0.276SS..Hα-helixtrans-74.6-52.8179.9-60.6173.5000110.6G73 G74 I75I71-G73 VanDerWaalsContact C-N 3.26Å; I71-G73 PolarHBondContact O-N 3.39Å; I71-G74 PolarHBondContact O-N 3.47Å; I71-I75 HydrophobicContact CG2-CD1 4.41Å; I71-I75 PolarHBondContact O-N 3.49Å
72P86.7Confident88.1Confident61 Ų6157.9 Ų57.940%0.39628%0.278SS..Hα-helixtrans-60.7-34.7178-24.436.3000113.1L68 G74 I75 L76L68-P72 VanDerWaalsContact O-CD 3.29Å; L68-P72 WeakPolarHBondContact O-CD 3.23Å; L68-P72 WeakPolarHBondContact O-CG 3.34Å; P72-G74 VanDerWaalsContact C-N 3.3Å; P72-G74 PolarHBondContact O-N 3.45Å; P72-I75 PolarHBondContact O-N 3.25Å; P72-I75 VanDerWaalsContact O-N 3.12Å; P72-L76 VanDerWaalsContact O-CG 3.32Å; P72-L76 WeakPolarHBondContact O-CG 3.4Å; P72-L76 PolarHBondContact O-N 2.91Å
73G86Confident88.1Confident0 Ų058.6 Ų58.60%028%0.281CS..Hα-helixtrans-62.5-33.9178.100000113.6T69 I71 A77 N128T69-G73 WeakPolarHBondContact O-CA 3.42Å; T69-G73 PolarHBondContact O-N 3.04Å; I71-G73 VanDerWaalsContact C-N 3.26Å; I71-G73 PolarHBondContact O-N 3.39Å; G73-A77 PolarHBondContact O-N 2.96Å; G73-N128 PolarHBondContact O-ND2 2.86Å
74G81Confident88.2Confident17 Ų1764.2 Ų64.218%0.17530%0.302CS..Hα-helixtrans-70.5-38171.800000112.7Q70 I71 P72 A77Q70-G74 PolarHBondContact O-N 3.48Å; I71-G74 PolarHBondContact O-N 3.47Å; P72-G74 VanDerWaalsContact C-N 3.3Å; P72-G74 PolarHBondContact O-N 3.45Å; G74-A77 WeakPolarHBondContact O-CB 3.48Å; G74-A77 PolarHBondContact O-N 3Å
75I84.5Confident88.2Confident114 Ų11458.7 Ų58.759%0.58528%0.283SS*.Hα-helixtrans-67.2-41.6177.2-61.1170.6000110.7I71 P72 A77 F78I71-I75 HydrophobicContact CG2-CD1 4.41Å; I71-I75 PolarHBondContact O-N 3.49Å; P72-I75 PolarHBondContact O-N 3.25Å; P72-I75 VanDerWaalsContact O-N 3.12Å; I75-A77 PolarHBondContact O-N 3.43Å; I75-F78 PolarHBondContact O-N 3.4Å; I75-F78 VanDerWaalsContact O-N 3.12Å
76L85.2Confident88.3Confident70 Ų7058.9 Ų58.937%0.36628%0.284SS..Hα-helixtrans-60.7-26.2176.8-73.8167.8000112.9P72 F78 R79 F80 I85P72-L76 VanDerWaalsContact O-CG 3.32Å; P72-L76 WeakPolarHBondContact O-CG 3.4Å; P72-L76 PolarHBondContact O-N 2.91Å; L76-F78 VanDerWaalsContact C-N 3.26Å; L76-F78 PolarHBondContact O-N 3.27Å; L76-R79 PolarHBondContact O-N 3.38Å; L76-R79 VanDerWaalsContact O-N 3.16Å; L76-F80 HydrophobicContact CD2-CD2 3.9Å; L76-F80 HydrophobicContact CD2-CE2 3.71Å; L76-F80 PolarHBondContact O-N 2.89Å; L76-I85 HydrophobicContact CB-CD1 3.94Å; L76-I85 HydrophobicContact CB-CG1 4.45Å
77A83.1Confident88.5Confident7 Ų760.2 Ų60.26%0.05829%0.29CS..Hα-helixtrans-59.2-36.6175.500000112.4G73 G74 I75 R79 G81 N128G73-A77 PolarHBondContact O-N 2.96Å; G74-A77 WeakPolarHBondContact O-CB 3.48Å; G74-A77 PolarHBondContact O-N 3Å; I75-A77 PolarHBondContact O-N 3.43Å; A77-R79 VanDerWaalsContact C-N 3.32Å; A77-R79 PolarHBondContact O-N 3.11Å; A77-G81 WeakPolarHBondContact O-CA 3.33Å; A77-G81 PolarHBondContact O-N 3.04Å; A77-N128 WeakPolarHBondContact CB-OD1 3.25Å
78F81.5Confident88.7Confident182 Ų18262 Ų6280%0.79831%0.305SS*.Hα-helixtrans-69.6-30.5178.8-63.6-68.2000112.5I75 L76I75-F78 PolarHBondContact O-N 3.4Å; I75-F78 VanDerWaalsContact O-N 3.12Å; L76-F78 VanDerWaalsContact C-N 3.26Å; L76-F78 PolarHBondContact O-N 3.27Å
79R85.1Confident88.9Confident206 Ų20656.9 Ų56.978%0.77728%0.278SS*.Hα-helixtrans-88.7-43.4-176.4-172.2170.9-177.7166.21.4113.4L76 A77L76-R79 PolarHBondContact O-N 3.38Å; L76-R79 VanDerWaalsContact O-N 3.16Å; A77-R79 VanDerWaalsContact C-N 3.32Å; A77-R79 PolarHBondContact O-N 3.11Å
80F89.6Confident89.2Confident110 Ų11057.7 Ų57.748%0.48228%0.281SS..Hα-helixtrans-108.5-11-173.1-63.7-72000113.7L76 I85L76-F80 HydrophobicContact CD2-CD2 3.9Å; L76-F80 HydrophobicContact CD2-CE2 3.71Å; L76-F80 PolarHBondContact O-N 2.89Å; F80-I85 HydrophobicContact CB-CD1 3.9Å; F80-I85 HydrophobicContact CB-CG1 4.23Å; F80-I85 HydrophobicContact CD2-CD1 4.17Å; F80-I85 HydrophobicContact CG-CD1 4.38Å
81G87.8Confident89.7Confident12 Ų1261.2 Ų61.212%0.12430%0.297CS..  trans79.5140-173.400000112.5A77 K83 W84 I85A77-G81 WeakPolarHBondContact O-CA 3.33Å; A77-G81 PolarHBondContact O-N 3.04Å; G81-K83 VanDerWaalsContact C-N 3.28Å; G81-K83 PolarHBondContact O-N 3.39Å; G81-W84 PolarHBondContact O-N 3.49Å; G81-I85 PolarHBondContact O-N 3.25Å
82P91.2Very high90.3Very high8 Ų857.7 Ų57.75%0.05228%0.282CS..Hα-helixtrans-64.4-26.9-173.326.4-37.3000114.8W84 I86 N128 C131 L132 N211P82-W84 PolarHBondContact O-N 2.99Å; P82-I86 WeakPolarHBondContact O-CG1 3.25Å; P82-I86 PolarHBondContact O-N 3.4Å; P82-N128 VanDerWaalsContact CA-OD1 3.32Å; P82-N128 WeakPolarHBondContact CA-OD1 3.18Å; P82-N128 HydrophobicContact CB-CB 3.8Å; P82-N128 WeakPolarHBondContact CB-O 3.41Å; P82-N128 WeakPolarHBondContact CB-OD1 3.46Å; P82-C131 HydrophobicContact CB-CB 3.96Å; P82-C131 HydrophobicContact CG-CB 3.94Å; P82-L132 HydrophobicContact CB-CD1 4.49Å; P82-L132 HydrophobicContact CB-CD2 4.37Å; P82-L132 HydrophobicContact CB-CG 3.9Å; P82-L132 HydrophobicContact CG-CD2 3.77Å; P82-L132 HydrophobicContact CG-CG 3.77Å; P82-N211 WeakPolarHBondContact CD-OD1 3.45Å
83K94.3Very high90.8Very high15 Ų1554.8 Ų54.87%0.06526%0.264CS..Hα-helixtrans-53.1-55174174.8-167.7177.6154.30111.2G81 I86 F87 W205 T206 V209 N211G81-K83 VanDerWaalsContact C-N 3.28Å; G81-K83 PolarHBondContact O-N 3.39Å; K83-I86 PolarHBondContact O-N 2.94Å; K83-F87 WeakPolarHBondContact O-CB 3.48Å; K83-F87 PolarHBondContact O-N 2.99Å; K83-W205 PolarHBondContact O-NE1 3.16Å; K83-T206 WeakPolarHBondContact CE-O 3.31Å; K83-T206 PolarHBondContact NZ-O 3.41Å; K83-V209 WeakPolarHBondContact CD-O 3.3Å; K83-V209 WeakPolarHBondContact CE-O 3.48Å; K83-V209 HydrophobicContact CG-CG1 4.35Å; K83-V209 PolarHBondContact NZ-O 3.18Å; K83-N211 WeakPolarHBondContact CB-OD1 3.49Å; K83-N211 PolarHBondContact N-OD1 2.94Å
84W94.9Very high91.3Very high121 Ų12154.8 Ų54.846%0.45826%0.264SS..Hα-helixtrans-75.4-31.1-172.2-66.6122.4000112G81 P82 F87 S88 T206G81-W84 PolarHBondContact O-N 3.49Å; P82-W84 PolarHBondContact O-N 2.99Å; W84-F87 HydrophobicContact CE3-CB 4.31Å; W84-F87 HydrophobicContact CE3-CD1 4.06Å; W84-F87 HydrophobicContact CE3-CG 4.29Å; W84-F87 HydrophobicContact CZ3-CD1 4.37Å; W84-F87 PolarHBondContact O-N 3.48Å; W84-S88 WeakPolarHBondContact O-CB 3.28Å; W84-S88 PolarHBondContact O-N 2.63Å; W84-S88 PolarHBondContact O-OG 3.41Å; W84-S88 VanDerWaalsContact O-OG 3.06Å; W84-T206 HydrophobicContact CH2-CG2 4.5Å; W84-T206 HydrophobicContact CZ3-CG2 3.86Å
85I94.2Very high92.1Very high22 Ų2258.1 Ų58.111%0.11328%0.276CS..Hα-helixtrans-64.5-45.9172.9-61.6-60.6000111.2L76 F80 G81 S88 S89 V124 N128L76-I85 HydrophobicContact CB-CD1 3.94Å; L76-I85 HydrophobicContact CB-CG1 4.45Å; F80-I85 HydrophobicContact CB-CD1 3.9Å; F80-I85 HydrophobicContact CB-CG1 4.23Å; F80-I85 HydrophobicContact CD2-CD1 4.17Å; F80-I85 HydrophobicContact CG-CD1 4.38Å; G81-I85 PolarHBondContact O-N 3.25Å; I85-S88 PolarHBondContact O-N 3.4Å; I85-S89 WeakPolarHBondContact O-CB 3.34Å; I85-S89 PolarHBondContact O-N 2.94Å; I85-V124 HydrophobicContact CG2-CB 3.72Å; I85-V124 HydrophobicContact CG2-CG1 4.42Å; I85-V124 HydrophobicContact CG2-CG2 3.48Å; I85-V124 VanDerWaalsContact CG2-CG2 3.48Å; I85-N128 VanDerWaalsContact CG2-ND2 3.33Å; I85-N128 WeakPolarHBondContact CG2-ND2 3.15Å
86I95.1Very high92.7Very high4 Ų453 Ų532%0.02125%0.251CS..Hα-helixtrans-66.5-39.9176-67.9166.7000111P82 K83 S89 L90 N128 L132 W205P82-I86 WeakPolarHBondContact O-CG1 3.25Å; P82-I86 PolarHBondContact O-N 3.4Å; K83-I86 PolarHBondContact O-N 2.94Å; I86-S89 WeakPolarHBondContact O-CB 3.42Å; I86-S89 PolarHBondContact O-N 3.1Å; I86-L90 HydrophobicContact CG2-CD1 3.96Å; I86-L90 HydrophobicContact CG2-CG 4.18Å; I86-L90 WeakPolarHBondContact O-CG 3.43Å; I86-L90 PolarHBondContact O-N 3.05Å; I86-N128 HydrophobicContact CD1-CB 3.78Å; I86-N128 HydrophobicContact CG1-CB 3.7Å; I86-L132 HydrophobicContact CD1-CD1 3.67Å; I86-W205 HydrophobicContact CB-CZ2 3.81Å; I86-W205 HydrophobicContact CD1-CH2 4.22Å; I86-W205 HydrophobicContact CD1-CZ2 3.74Å; I86-W205 HydrophobicContact CG1-CZ2 4.39Å; I86-W205 HydrophobicContact CG2-CD2 4.3Å; I86-W205 HydrophobicContact CG2-CH2 4.03Å; I86-W205 HydrophobicContact CG2-CZ2 3.48Å; I86-W205 VanDerWaalsContact CG2-CZ2 3.48Å
87F96.7Very high93.2Very high47 Ų4749.7 Ų49.721%0.20623%0.233CC..Hα-helixtrans-56.2-52.6174.1168.6-101.9000111.9K83 W84 S89 L90 F91 S202 T206K83-F87 WeakPolarHBondContact O-CB 3.48Å; K83-F87 PolarHBondContact O-N 2.99Å; W84-F87 HydrophobicContact CE3-CB 4.31Å; W84-F87 HydrophobicContact CE3-CD1 4.06Å; W84-F87 HydrophobicContact CE3-CG 4.29Å; W84-F87 HydrophobicContact CZ3-CD1 4.37Å; W84-F87 PolarHBondContact O-N 3.48Å; F87-S89 PolarHBondContact O-N 2.85Å; F87-L90 PolarHBondContact O-N 2.9Å; F87-F91 HydrophobicContact CE2-CB 4.38Å; F87-F91 HydrophobicContact CZ-CB 4.29Å; F87-F91 HydrophobicContact CZ-CG 4.41Å; F87-F91 WeakPolarHBondContact O-CB 3.25Å; F87-F91 PolarHBondContact O-N 3.3Å; F87-S202 WeakPolarHBondContact CD2-O 3.34Å; F87-T206 HydrophobicContact CD2-CG2 3.23Å; F87-T206 HydrophobicContact CE2-CG2 3.29Å; F87-T206 HydrophobicContact CG-CG2 3.89Å; F87-T206 HydrophobicContact CZ-CG2 3.98Å
88S95Very high93.9Very high68 Ų6852.8 Ų52.848%0.47625%0.245SC..Hα-helixtrans-60.2-36.5179.1-63.70000112W84 I85 G92W84-S88 WeakPolarHBondContact O-CB 3.28Å; W84-S88 PolarHBondContact O-N 2.63Å; W84-S88 PolarHBondContact O-OG 3.41Å; W84-S88 VanDerWaalsContact O-OG 3.06Å; I85-S88 PolarHBondContact O-N 3.4Å; S88-G92 PolarHBondContact O-N 3.21Å
89S95.4Very high94.6Very high3 Ų346.7 Ų46.72%0.02123%0.225CC..Hα-helixtrans-61.5-53.4172.71780000112.1I85 I86 F87 C93 L121 V125I85-S89 WeakPolarHBondContact O-CB 3.34Å; I85-S89 PolarHBondContact O-N 2.94Å; I86-S89 WeakPolarHBondContact O-CB 3.42Å; I86-S89 PolarHBondContact O-N 3.1Å; F87-S89 PolarHBondContact O-N 2.85Å; S89-C93 VanDerWaalsContact O-CB 3.32Å; S89-C93 WeakPolarHBondContact O-CB 3.36Å; S89-C93 PolarHBondContact O-N 3.44Å; S89-C93 PolarHBondContact O-SG 2.86Å; S89-L121 WeakPolarHBondContact CB-O 3.19Å; S89-L121 VanDerWaalsContact OG-C 3.31Å; S89-L121 PolarHBondContact OG-O 3.2Å; S89-V125 WeakPolarHBondContact OG-CG2 3.38Å
90L95.4Very high95.2Very high41 Ų4136.9 Ų36.922%0.21519%0.188CC..Hα-helixtrans-61.1-48.9-179-70.3174.4000111.6I86 F87 C93 A94 W205I86-L90 HydrophobicContact CG2-CD1 3.96Å; I86-L90 HydrophobicContact CG2-CG 4.18Å; I86-L90 WeakPolarHBondContact O-CG 3.43Å; I86-L90 PolarHBondContact O-N 3.05Å; F87-L90 PolarHBondContact O-N 2.9Å; L90-C93 PolarHBondContact O-N 3.36Å; L90-A94 PolarHBondContact O-N 3.08Å; L90-W205 HydrophobicContact CD1-CD2 4.39Å; L90-W205 HydrophobicContact CD1-CG 4.39Å
91F97.1Very high95.5Very high89 Ų8931.6 Ų31.639%0.3917%0.165SC..Hα-helixtrans-66.2-45.1-178.8-174.7-106.8000111.8F87 C93 A94 I95F87-F91 HydrophobicContact CE2-CB 4.38Å; F87-F91 HydrophobicContact CZ-CB 4.29Å; F87-F91 HydrophobicContact CZ-CG 4.41Å; F87-F91 WeakPolarHBondContact O-CB 3.25Å; F87-F91 PolarHBondContact O-N 3.3Å; F91-C93 VanDerWaalsContact C-N 3.32Å; F91-C93 PolarHBondContact O-N 3.32Å; F91-A94 WeakPolarHBondContact O-CB 3.2Å; F91-A94 PolarHBondContact O-N 2.99Å; F91-I95 HydrophobicContact CD1-CD1 3.99Å; F91-I95 HydrophobicContact CE1-CD1 3.61Å; F91-I95 HydrophobicContact CE1-CG1 4.44Å; F91-I95 HydrophobicContact CZ-CD1 4.14Å; F91-I95 PolarHBondContact O-N 3.47Å; F91-I95 VanDerWaalsContact O-N 3.13Å
92G96.7Very high95.9Very high14 Ų1434.8 Ų34.814%0.14418%0.182CC..Hα-helixtrans-60.5-41.8174.700000112.1S88 A94 I95 T96S88-G92 PolarHBondContact O-N 3.21Å; G92-A94 VanDerWaalsContact C-N 3.3Å; G92-A94 PolarHBondContact O-N 2.99Å; G92-I95 PolarHBondContact O-N 3.3Å; G92-T96 PolarHBondContact O-N 2.8Å; G92-T96 PolarHBondContact O-OG1 2.92Å
93C96.4Very high96.2Very high1 Ų134.9 Ų34.91%0.00718%0.183CC..Hα-helixtrans-62.4-40.5176.9-73.50000111.2M1 S89 L90 F91 I95 T96 E97 Q122M1-C93 HydrophobicContact CE-CB 3.52Å; M1-C93 HydrophobicContact SD-CB 3.76Å; S89-C93 VanDerWaalsContact O-CB 3.32Å; S89-C93 WeakPolarHBondContact O-CB 3.36Å; S89-C93 PolarHBondContact O-N 3.44Å; S89-C93 PolarHBondContact O-SG 2.86Å; L90-C93 PolarHBondContact O-N 3.36Å; F91-C93 VanDerWaalsContact C-N 3.32Å; F91-C93 PolarHBondContact O-N 3.32Å; C93-I95 VanDerWaalsContact C-N 3.34Å; C93-I95 PolarHBondContact O-N 3.05Å; C93-T96 WeakPolarHBondContact CA-OG1 3.31Å; C93-T96 PolarHBondContact O-N 3.42Å; C93-T96 PolarHBondContact O-OG1 3.4Å; C93-E97 WeakPolarHBondContact O-CB 3.4Å; C93-E97 PolarHBondContact O-N 3.23Å; C93-Q122 WeakPolarHBondContact SG-CG 3.45Å
94A96.8Very high96.3Very high0 Ų034.2 Ų34.20%018%0.181CC..Hα-helixtrans-58.4-45.1175.800000112.1L90 F91 G92 E97 F98 A198 V199L90-A94 PolarHBondContact O-N 3.08Å; F91-A94 WeakPolarHBondContact O-CB 3.2Å; F91-A94 PolarHBondContact O-N 2.99Å; G92-A94 VanDerWaalsContact C-N 3.3Å; G92-A94 PolarHBondContact O-N 2.99Å; A94-E97 WeakPolarHBondContact O-CB 3.06Å; A94-E97 PolarHBondContact O-N 3.44Å; A94-F98 WeakPolarHBondContact O-CD2 3.46Å; A94-F98 PolarHBondContact O-N 3.03Å; A94-A198 HydrophobicContact CB-CB 3.62Å; A94-V199 HydrophobicContact CB-CG2 3.67Å
95I97.3Very high96.3Very high86 Ų8634.8 Ų34.844%0.44118%0.183SC..Hα-helixtrans-60.2-49.7176.1-65169.1000110.6F91 G92 C93 E97 F98 C99F91-I95 HydrophobicContact CD1-CD1 3.99Å; F91-I95 HydrophobicContact CE1-CD1 3.61Å; F91-I95 HydrophobicContact CE1-CG1 4.44Å; F91-I95 HydrophobicContact CZ-CD1 4.14Å; F91-I95 PolarHBondContact O-N 3.47Å; F91-I95 VanDerWaalsContact O-N 3.13Å; G92-I95 PolarHBondContact O-N 3.3Å; C93-I95 VanDerWaalsContact C-N 3.34Å; C93-I95 PolarHBondContact O-N 3.05Å; I95-E97 PolarHBondContact O-N 2.74Å; I95-F98 PolarHBondContact O-N 3.24Å; I95-C99 PolarHBondContact O-N 2.83Å; I95-C99 VanDerWaalsContact O-N 3.14Å; I95-C99 PolarHBondContact O-SG 3.09Å; I95-C99 VanDerWaalsContact O-SG 3.35Å
96T97.1Very high96.3Very high8 Ų838.9 Ų38.95%0.04920%0.204CC..Hα-helixtrans-60.3-35.5178.857.60000111.9G92 C93 C99 I100 L114 I117 Q118 L121G92-T96 PolarHBondContact O-N 2.8Å; G92-T96 PolarHBondContact O-OG1 2.92Å; C93-T96 WeakPolarHBondContact CA-OG1 3.31Å; C93-T96 PolarHBondContact O-N 3.42Å; C93-T96 PolarHBondContact O-OG1 3.4Å; T96-C99 PolarHBondContact O-N 3.12Å; T96-I100 WeakPolarHBondContact O-CG1 2.95Å; T96-I100 PolarHBondContact O-N 3.1Å; T96-I100 VanDerWaalsContact O-N 3.14Å; T96-L114 HydrophobicContact CG2-CD2 4.27Å; T96-I117 HydrophobicContact CG2-CB 4.25Å; T96-I117 HydrophobicContact CG2-CG2 3.68Å; T96-Q118 HydrophobicContact CG2-CG 4.34Å; T96-Q118 WeakPolarHBondContact OG1-CG 3.43Å; T96-Q118 PolarHBondContact OG1-NE2 2.7Å; T96-L121 HydrophobicContact CG2-CD1 4.13Å
97E96.1Very high96.3Very high0 Ų045.6 Ų45.60%023%0.229CC..Hα-helixtrans-65.7-44.4179.1-161.670.6-16200111.5M1 C93 A94 I95 C99 I100 Q118 H191M1-E97 HydrophobicContact CG-CG 4.48Å; M1-E97 HydrophobicContact SD-CB 4.47Å; C93-E97 WeakPolarHBondContact O-CB 3.4Å; C93-E97 PolarHBondContact O-N 3.23Å; A94-E97 WeakPolarHBondContact O-CB 3.06Å; A94-E97 PolarHBondContact O-N 3.44Å; I95-E97 PolarHBondContact O-N 2.74Å; E97-C99 PolarHBondContact O-N 2.77Å; E97-I100 WeakPolarHBondContact O-CB 3.19Å; E97-I100 PolarHBondContact O-N 2.89Å; E97-Q118 PolarHBondContact OE2-NE2 2.75Å; E97-H191 HydrophobicContact CG-CB 4.13Å; E97-H191 WeakPolarHBondContact CG-O 3.39Å; E97-H191 IonicContact OE1-CE1 2.89Å; E97-H191 IonicContact OE1-CG 2.86Å; E97-H191 IonicContact OE1-ND1 3.23Å; E97-H191 PolarHBondContact OE1-ND1 2.9Å
98F97.4Very high96.2Very high71 Ų7144 Ų4431%0.31122%0.224SC..Hα-helixtrans-60.8-33.1173.1-73.9-62000112.8A94 I95 Y192 I196 V199A94-F98 WeakPolarHBondContact O-CD2 3.46Å; A94-F98 PolarHBondContact O-N 3.03Å; I95-F98 PolarHBondContact O-N 3.24Å; F98-Y192 AromaticContact CD1-CD1 3.91Å; F98-Y192 HydrophobicContact CD1-CD1 3.91Å; F98-I196 HydrophobicContact CE1-CG1 4Å; F98-I196 HydrophobicContact CZ-CG1 3.81Å; F98-V199 HydrophobicContact CE2-CG2 3.92Å
99C97.4Very high96.2Very high54 Ų5445.1 Ų45.137%0.36522%0.222SC..Hα-helixtrans-77.8-17.8179.3-66.50000113.6I95 T96 E97 T102 A103 L114I95-C99 PolarHBondContact O-N 2.83Å; I95-C99 VanDerWaalsContact O-N 3.14Å; I95-C99 PolarHBondContact O-SG 3.09Å; I95-C99 VanDerWaalsContact O-SG 3.35Å; T96-C99 PolarHBondContact O-N 3.12Å; E97-C99 PolarHBondContact O-N 2.77Å; C99-T102 PolarHBondContact O-N 2.94Å; C99-A103 VanDerWaalsContact O-CB 3.27Å; C99-A103 WeakPolarHBondContact O-CB 3.47Å; C99-A103 PolarHBondContact O-N 3.26Å; C99-L114 HydrophobicContact CB-CD1 3.63Å; C99-L114 HydrophobicContact CB-CD2 4.13Å
100I96.8Very high96.3Very high0 Ų048.7 Ų48.70%024%0.24CC..Hα-helixtrans-55-52.3-175.7-77.9171.2000111.9L5 T96 E97 T102 A103 A104 L111 L114 W187L5-I100 HydrophobicContact CD1-CG2 4.43Å; T96-I100 WeakPolarHBondContact O-CG1 2.95Å; T96-I100 PolarHBondContact O-N 3.1Å; T96-I100 VanDerWaalsContact O-N 3.14Å; E97-I100 WeakPolarHBondContact O-CB 3.19Å; E97-I100 PolarHBondContact O-N 2.89Å; I100-T102 VanDerWaalsContact C-N 3.35Å; I100-T102 PolarHBondContact O-N 3.41Å; I100-A103 PolarHBondContact O-N 2.88Å; I100-A104 VanDerWaalsContact O-CB 3.28Å; I100-A104 WeakPolarHBondContact O-CB 3.34Å; I100-A104 PolarHBondContact O-N 2.8Å; I100-L111 HydrophobicContact CB-CD1 4.32Å; I100-L111 HydrophobicContact CG1-CD1 4.03Å; I100-L111 HydrophobicContact CG2-CD1 3.87Å; I100-L114 HydrophobicContact CG1-CD1 4.42Å; I100-W187 HydrophobicContact CG2-CZ3 4.44Å
101P96.4Very high96.3Very high0 Ų046.7 Ų46.70%023%0.23CC..Hα-helixtrans-62.4-41.9-176.4-26.837.7000113.4R105 W187 P188 H191 Y192P101-R105 WeakPolarHBondContact O-CG 3.45Å; P101-R105 PolarHBondContact O-N 2.83Å; P101-W187 HydrophobicContact CB-CH2 3.95Å; P101-W187 HydrophobicContact CB-CZ3 4.05Å; P101-W187 HydrophobicContact CG-CZ3 4.13Å; P101-P188 HydrophobicContact CB-CB 3.85Å; P101-P188 HydrophobicContact CB-CG 4.43Å; P101-P188 HydrophobicContact CG-CB 3.89Å; P101-H191 HydrophobicContact CG-CB 4.02Å; P101-Y192 HydrophobicContact CB-CE1 4.3Å; P101-Y192 HydrophobicContact CG-CD1 4.33Å; P101-Y192 HydrophobicContact CG-CE1 3.71Å
102T96.6Very high96.3Very high78 Ų7844.5 Ų44.548%0.47922%0.222SC..Hα-helixtrans-65.3-45.7177.3-54.40000111.4C99 I100 A104 R105 I106C99-T102 PolarHBondContact O-N 2.94Å; I100-T102 VanDerWaalsContact C-N 3.35Å; I100-T102 PolarHBondContact O-N 3.41Å; T102-A104 PolarHBondContact O-N 2.67Å; T102-R105 PolarHBondContact O-N 2.94Å; T102-I106 HydrophobicContact CG2-CD1 4.01Å; T102-I106 WeakPolarHBondContact O-CG1 3.08Å; T102-I106 PolarHBondContact O-N 2.93Å; T102-I106 VanDerWaalsContact O-N 3.16Å
103A96.9Very high96.3Very high10 Ų1047.5 Ų47.58%0.08324%0.237CC..Hα-helixtrans-63.5-42.9178.900000112.1C99 I100 R105 I106 R107 L110 L114C99-A103 VanDerWaalsContact O-CB 3.27Å; C99-A103 WeakPolarHBondContact O-CB 3.47Å; C99-A103 PolarHBondContact O-N 3.26Å; I100-A103 PolarHBondContact O-N 2.88Å; A103-R105 VanDerWaalsContact C-N 3.31Å; A103-R105 PolarHBondContact O-N 2.98Å; A103-I106 PolarHBondContact O-N 3.02Å; A103-R107 PolarHBondContact O-N 2.86Å; A103-L110 HydrophobicContact CB-CB 3.95Å; A103-L114 HydrophobicContact CB-CD1 3.39Å; A103-L114 HydrophobicContact CB-CG 4.35Å
104A96Very high96.3Very high2 Ų248.6 Ų48.62%0.01724%0.243CC..Hα-helixtrans-58.4-41.8177.200000112.3M12 F48 W50 I100 T102 L111 W187M12-A104 HydrophobicContact CE-CB 3.66Å; F48-A104 WeakPolarHBondContact CE1-O 3.49Å; F48-A104 HydrophobicContact CE2-CB 3.74Å; F48-A104 HydrophobicContact CZ-CB 3.75Å; W50-A104 HydrophobicContact CH2-CB 3.92Å; W50-A104 HydrophobicContact CZ2-CB 4.33Å; I100-A104 VanDerWaalsContact O-CB 3.28Å; I100-A104 WeakPolarHBondContact O-CB 3.34Å; I100-A104 PolarHBondContact O-N 2.8Å; T102-A104 PolarHBondContact O-N 2.67Å; A104-L111 HydrophobicContact CB-CD2 4.17Å; A104-W187 HydrophobicContact CB-CH2 3.92Å
105R95.1Very high96.3Very high132 Ų13248.7 Ų48.750%0.49824%0.244SC..Hα-helixtrans-70.9-28.4178.2-71.6177.1176.6157.71.4114.4E47 F48 P101 T102 A103E47-R105 IonicContact OE1-NH2 2.68Å; E47-R105 PolarHBondContact OE1-NH2 2.73Å; E47-R105 IonicContact OE2-CZ 2.73Å; E47-R105 IonicContact OE2-NE 3.54Å; E47-R105 PolarHBondContact OE2-NE 2.86Å; E47-R105 IonicContact OE2-NH2 3.53Å; E47-R105 PolarHBondContact OE2-NH2 3.22Å; F48-R105 HydrophobicContact CE1-CB 4.3Å; F48-R105 HydrophobicContact CE1-CG 3.81Å; F48-R105 HydrophobicContact CZ-CB 4.47Å; F48-R105 HydrophobicContact CZ-CG 3.69Å; P101-R105 WeakPolarHBondContact O-CG 3.45Å; P101-R105 PolarHBondContact O-N 2.83Å; T102-R105 PolarHBondContact O-N 2.94Å; A103-R105 VanDerWaalsContact C-N 3.31Å; A103-R105 PolarHBondContact O-N 2.98Å
106I95.4Very high96.3Very high109 Ų10946.6 Ų46.656%0.55924%0.235SC*.Hα-helixtrans-78.2-63.7176.3-64.2165.3000109.2T102 A103 L110T102-I106 HydrophobicContact CG2-CD1 4.01Å; T102-I106 WeakPolarHBondContact O-CG1 3.08Å; T102-I106 PolarHBondContact O-N 2.93Å; T102-I106 VanDerWaalsContact O-N 3.16Å; A103-I106 PolarHBondContact O-N 3.02Å; I106-L110 HydrophobicContact CB-CD1 3.9Å; I106-L110 HydrophobicContact CD1-CD1 4.37Å; I106-L110 HydrophobicContact CG2-CD1 3.54Å
107R93.9Very high96.3Very high144 Ų14449.4 Ų49.454%0.54325%0.249SC..  trans-160139.3-169.9-80.5-169.272.6167.67.3112.4A103 E109 L110 L111A103-R107 PolarHBondContact O-N 2.86Å; R107-E109 WeakPolarHBondContact CB-OE2 3.31Å; R107-E109 IonicContact CZ-OE1 3.66Å; R107-E109 IonicContact CZ-OE2 3.63Å; R107-E109 IonicContact NE-OE1 3.7Å; R107-E109 IonicContact NE-OE2 2.96Å; R107-E109 PolarHBondContact NE-OE2 3.13Å; R107-E109 VanDerWaalsContact NH2-CD 3.27Å; R107-E109 IonicContact NH2-OE1 2.8Å; R107-E109 PolarHBondContact NH2-OE1 2.93Å; R107-E109 IonicContact NH2-OE2 3.51Å; R107-E109 PolarHBondContact O-N 3.34Å; R107-L110 HydrophobicContact CB-CD1 4.27Å; R107-L110 HydrophobicContact CB-CG 4.19Å; R107-L110 PolarHBondContact O-N 3.11Å; R107-L110 VanDerWaalsContact O-N 3.16Å; R107-L111 PolarHBondContact O-N 2.89Å
108A94.9Very high96.2Very high14 Ų1449.4 Ų49.412%0.11625%0.249CC..Hα-helixtrans-59.1-33.8177.300000112.7W50 T54 I58 L110 L111 I112W50-A108 HydrophobicContact CZ2-CB 4.4Å; T54-A108 HydrophobicContact CG2-CB 3.89Å; I58-A108 HydrophobicContact CD1-CB 4.48Å; A108-L110 VanDerWaalsContact C-N 3.32Å; A108-L110 PolarHBondContact O-N 3.23Å; A108-L111 WeakPolarHBondContact O-CB 3.42Å; A108-L111 PolarHBondContact O-N 3.3Å; A108-I112 WeakPolarHBondContact O-CG1 3.26Å; A108-I112 PolarHBondContact O-N 3.16Å
109E95.6Very high96.1Very high92 Ų9246 Ų4643%0.4323%0.234SC..Hα-helixtrans-67.8-31.7-179.1-55.291.1152.500112.5R107 I112 T113R107-E109 WeakPolarHBondContact CB-OE2 3.31Å; R107-E109 IonicContact CZ-OE1 3.66Å; R107-E109 IonicContact CZ-OE2 3.63Å; R107-E109 IonicContact NE-OE1 3.7Å; R107-E109 IonicContact NE-OE2 2.96Å; R107-E109 PolarHBondContact NE-OE2 3.13Å; R107-E109 VanDerWaalsContact NH2-CD 3.27Å; R107-E109 IonicContact NH2-OE1 2.8Å; R107-E109 PolarHBondContact NH2-OE1 2.93Å; R107-E109 IonicContact NH2-OE2 3.51Å; R107-E109 PolarHBondContact O-N 3.34Å; E109-I112 PolarHBondContact O-N 3.42Å; E109-T113 WeakPolarHBondContact O-CB 3.49Å; E109-T113 PolarHBondContact O-N 3.23Å; E109-T113 PolarHBondContact O-OG1 2.84Å
110L96.3Very high96Very high77 Ų7746.2 Ų46.240%0.40323%0.231SC..Hα-helixtrans-68.4-40.7172.8-66.5177.4000110.7A103 I106 R107 A108 T113 L114A103-L110 HydrophobicContact CB-CB 3.95Å; I106-L110 HydrophobicContact CB-CD1 3.9Å; I106-L110 HydrophobicContact CD1-CD1 4.37Å; I106-L110 HydrophobicContact CG2-CD1 3.54Å; R107-L110 HydrophobicContact CB-CD1 4.27Å; R107-L110 HydrophobicContact CB-CG 4.19Å; R107-L110 PolarHBondContact O-N 3.11Å; R107-L110 VanDerWaalsContact O-N 3.16Å; A108-L110 VanDerWaalsContact C-N 3.32Å; A108-L110 PolarHBondContact O-N 3.23Å; L110-T113 WeakPolarHBondContact O-CB 3.43Å; L110-T113 PolarHBondContact O-N 3.29Å; L110-L114 WeakPolarHBondContact O-CG 3.17Å; L110-L114 PolarHBondContact O-N 3.32Å
111L96.6Very high96Very high0 Ų048.2 Ų48.20%024%0.242CC..Hα-helixtrans-63.1-42.8174.5-17959.1000111.5M12 W50 I58 I100 A104 R107 A108 T113 L114 R115M12-L111 HydrophobicContact CE-CD2 4Å; W50-L111 HydrophobicContact CH2-CD2 3.49Å; W50-L111 VanDerWaalsContact CH2-CD2 3.49Å; W50-L111 HydrophobicContact CZ2-CD2 4.39Å; W50-L111 HydrophobicContact CZ3-CD2 3.87Å; I58-L111 HydrophobicContact CD1-CD2 4.09Å; I58-L111 HydrophobicContact CG1-CD2 4.39Å; I58-L111 HydrophobicContact CG2-CD2 3.78Å; I58-L111 HydrophobicContact CG2-CG 3.95Å; I100-L111 HydrophobicContact CB-CD1 4.32Å; I100-L111 HydrophobicContact CG1-CD1 4.03Å; I100-L111 HydrophobicContact CG2-CD1 3.87Å; A104-L111 HydrophobicContact CB-CD2 4.17Å; R107-L111 PolarHBondContact O-N 2.89Å; A108-L111 WeakPolarHBondContact O-CB 3.42Å; A108-L111 PolarHBondContact O-N 3.3Å; L111-T113 VanDerWaalsContact C-N 3.3Å; L111-T113 PolarHBondContact O-N 3.37Å; L111-L114 PolarHBondContact O-N 3.19Å; L111-R115 VanDerWaalsContact O-CG 3.27Å; L111-R115 WeakPolarHBondContact O-CG 3.47Å; L111-R115 PolarHBondContact O-N 2.86Å
112I96.6Very high95.8Very high43 Ų4349.8 Ų49.822%0.22125%0.249CC..Hα-helixtrans-57.2-45.4172.9-70.5168.8000110.4L57 I58 A61 A108 E109 R115 V116L57-I112 HydrophobicContact CB-CD1 4.12Å; I58-I112 HydrophobicContact CB-CG1 4.43Å; I58-I112 HydrophobicContact CG1-CD1 4.24Å; I58-I112 HydrophobicContact CG1-CG1 3.63Å; A61-I112 HydrophobicContact CB-CG2 3.91Å; A108-I112 WeakPolarHBondContact O-CG1 3.26Å; A108-I112 PolarHBondContact O-N 3.16Å; E109-I112 PolarHBondContact O-N 3.42Å; I112-R115 WeakPolarHBondContact O-CB 3.36Å; I112-R115 PolarHBondContact O-N 3.27Å; I112-R115 VanDerWaalsContact O-N 3.15Å; I112-V116 WeakPolarHBondContact O-CG2 3.29Å; I112-V116 PolarHBondContact O-N 3.22Å
113T97.2Very high95.6Very high76 Ų7646.1 Ų46.147%0.46623%0.226SC..Hα-helixtrans-61.9-46.7178.8-57.10000111.4E109 L110 L111 R115 V116 I117E109-T113 WeakPolarHBondContact O-CB 3.49Å; E109-T113 PolarHBondContact O-N 3.23Å; E109-T113 PolarHBondContact O-OG1 2.84Å; L110-T113 WeakPolarHBondContact O-CB 3.43Å; L110-T113 PolarHBondContact O-N 3.29Å; L111-T113 VanDerWaalsContact C-N 3.3Å; L111-T113 PolarHBondContact O-N 3.37Å; T113-R115 VanDerWaalsContact C-N 3.26Å; T113-R115 PolarHBondContact O-N 3.4Å; T113-V116 PolarHBondContact O-N 3.36Å; T113-I117 HydrophobicContact CG2-CD1 4.14Å; T113-I117 WeakPolarHBondContact O-CG1 3.23Å; T113-I117 PolarHBondContact O-N 3.21Å
114L97.1Very high95.3Very high25 Ų2546.4 Ų46.413%0.13123%0.227CC..Hα-helixtrans-59.4-37.9174.3-72.7-179.2000111.9T96 C99 I100 A103 L110 L111 I117 Q118T96-L114 HydrophobicContact CG2-CD2 4.27Å; C99-L114 HydrophobicContact CB-CD1 3.63Å; C99-L114 HydrophobicContact CB-CD2 4.13Å; I100-L114 HydrophobicContact CG1-CD1 4.42Å; A103-L114 HydrophobicContact CB-CD1 3.39Å; A103-L114 HydrophobicContact CB-CG 4.35Å; L110-L114 WeakPolarHBondContact O-CG 3.17Å; L110-L114 PolarHBondContact O-N 3.32Å; L111-L114 PolarHBondContact O-N 3.19Å; L114-I117 PolarHBondContact O-N 3.01Å; L114-Q118 WeakPolarHBondContact O-CG 3.22Å; L114-Q118 PolarHBondContact O-N 3.09Å
115R95.6Very high95.2Very high2 Ų248.2 Ų48.21%0.00824%0.238CC..Hα-helixtrans-66-41.2176.5-70.9-68.6-86.4-179.2-10.5112.4M1 R2 L5 I58 A61 F62 L111 I112 T113 I117 Q118 G119M1-R115 PolarHBondContact O-NH1 2.91Å; R2-R115 PolarHBondContact O-NH2 3.42Å; L5-R115 HydrophobicContact CD2-CG 4.07Å; L5-R115 VanDerWaalsContact CD2-CZ 3.45Å; I58-R115 HydrophobicContact CG2-CG 4.4Å; A61-R115 HydrophobicContact CB-CB 3.68Å; F62-R115 WeakPolarHBondContact CA-O 3.49Å; L111-R115 VanDerWaalsContact O-CG 3.27Å; L111-R115 WeakPolarHBondContact O-CG 3.47Å; L111-R115 PolarHBondContact O-N 2.86Å; I112-R115 WeakPolarHBondContact O-CB 3.36Å; I112-R115 PolarHBondContact O-N 3.27Å; I112-R115 VanDerWaalsContact O-N 3.15Å; T113-R115 VanDerWaalsContact C-N 3.26Å; T113-R115 PolarHBondContact O-N 3.4Å; R115-I117 VanDerWaalsContact C-N 3.32Å; R115-I117 PolarHBondContact O-N 3.11Å; R115-Q118 VanDerWaalsContact CD-OE1 3.27Å; R115-Q118 VanDerWaalsContact NH1-OE1 3.09Å; R115-Q118 WeakPolarHBondContact O-CB 3.4Å; R115-Q118 PolarHBondContact O-N 2.99Å; R115-G119 PolarHBondContact O-N 3.03Å
116V96.7Very high94.8Very high42 Ų4245 Ų4526%0.25523%0.229SC..Hα-helixtrans-59.8-45171.7176.10000110.4A61 W64 G65 I112 T113 Q118 G119 L120A61-V116 HydrophobicContact CB-CG2 4.14Å; A61-V116 WeakPolarHBondContact O-CG2 3.35Å; W64-V116 HydrophobicContact CB-CG2 4.32Å; G65-V116 WeakPolarHBondContact CA-O 3.12Å; I112-V116 WeakPolarHBondContact O-CG2 3.29Å; I112-V116 PolarHBondContact O-N 3.22Å; T113-V116 PolarHBondContact O-N 3.36Å; V116-Q118 PolarHBondContact O-N 3.03Å; V116-G119 WeakPolarHBondContact O-CA 3.28Å; V116-G119 PolarHBondContact O-N 3.04Å; V116-G119 VanDerWaalsContact O-N 3.12Å; V116-L120 HydrophobicContact CG1-CD1 4.39Å; V116-L120 WeakPolarHBondContact O-CG 3.09Å; V116-L120 PolarHBondContact O-N 3.05Å
117I97.1Very high94.3Very high66 Ų6641.6 Ų41.634%0.33821%0.214SC..Hα-helixtrans-62.4-43.6177.9-63.4166.3000111.2T96 T113 L114 R115 G119 L120 L121T96-I117 HydrophobicContact CG2-CB 4.25Å; T96-I117 HydrophobicContact CG2-CG2 3.68Å; T113-I117 HydrophobicContact CG2-CD1 4.14Å; T113-I117 WeakPolarHBondContact O-CG1 3.23Å; T113-I117 PolarHBondContact O-N 3.21Å; L114-I117 PolarHBondContact O-N 3.01Å; R115-I117 VanDerWaalsContact C-N 3.32Å; R115-I117 PolarHBondContact O-N 3.11Å; I117-G119 VanDerWaalsContact C-N 3.26Å; I117-G119 PolarHBondContact O-N 2.87Å; I117-L120 WeakPolarHBondContact O-CB 3.39Å; I117-L120 PolarHBondContact O-N 3.17Å; I117-L121 HydrophobicContact CG2-CD1 3.8Å; I117-L121 HydrophobicContact CG2-CG 4.32Å; I117-L121 WeakPolarHBondContact O-CB 3.11Å; I117-L121 VanDerWaalsContact O-CG 3.28Å; I117-L121 WeakPolarHBondContact O-CG 3.47Å; I117-L121 PolarHBondContact O-N 3.23Å
118Q95.7Very high94.2Very high0 Ų034.8 Ų34.80%019%0.189CC..Hα-helixtrans-56.5-42.1172.7-77.8-172.5-30.500112F62 T96 E97 L114 R115 V116 L121 Q122F62-Q118 HydrophobicContact CD2-CB 4.16Å; F62-Q118 HydrophobicContact CE2-CB 4.45Å; T96-Q118 HydrophobicContact CG2-CG 4.34Å; T96-Q118 WeakPolarHBondContact OG1-CG 3.43Å; T96-Q118 PolarHBondContact OG1-NE2 2.7Å; E97-Q118 PolarHBondContact OE2-NE2 2.75Å; L114-Q118 WeakPolarHBondContact O-CG 3.22Å; L114-Q118 PolarHBondContact O-N 3.09Å; R115-Q118 VanDerWaalsContact CD-OE1 3.27Å; R115-Q118 VanDerWaalsContact NH1-OE1 3.09Å; R115-Q118 WeakPolarHBondContact O-CB 3.4Å; R115-Q118 PolarHBondContact O-N 2.99Å; V116-Q118 PolarHBondContact O-N 3.03Å; Q118-L121 PolarHBondContact O-N 3.09Å; Q118-Q122 WeakPolarHBondContact O-CB 3.38Å; Q118-Q122 WeakPolarHBondContact O-CG 3.36Å; Q118-Q122 PolarHBondContact O-N 3.21Å
119G95.3Very high94Very high0 Ų035.3 Ų35.30%019%0.191CC..Hα-helixtrans-57.3-53.7173.200000112.4F62 Y66 R115 V116 I117 L121 Q122 G123F62-G119 WeakPolarHBondContact O-CA 3.36Å; Y66-G119 VanDerWaalsContact CA-O 3.26Å; Y66-G119 WeakPolarHBondContact CA-O 3.3Å; Y66-G119 VanDerWaalsContact N-C 3.28Å; Y66-G119 PolarHBondContact N-O 2.63Å; R115-G119 PolarHBondContact O-N 3.03Å; V116-G119 WeakPolarHBondContact O-CA 3.28Å; V116-G119 PolarHBondContact O-N 3.04Å; V116-G119 VanDerWaalsContact O-N 3.12Å; I117-G119 VanDerWaalsContact C-N 3.26Å; I117-G119 PolarHBondContact O-N 2.87Å; G119-L121 VanDerWaalsContact C-N 3.26Å; G119-L121 PolarHBondContact O-N 3.29Å; G119-Q122 PolarHBondContact O-N 3.41Å; G119-G123 PolarHBondContact O-N 3.25Å
120L95.2Very high93.6Very high59 Ų5932.8 Ų32.831%0.30919%0.189SC..Hα-helixtrans-55.7-44.7179.5-69.4170.8000110.8G65 L68 T69 V116 I117G65-L120 VanDerWaalsContact C-N 3.34Å; G65-L120 WeakPolarHBondContact O-CD2 3.12Å; L68-L120 HydrophobicContact CB-CD2 3.84Å; L68-L120 HydrophobicContact CD1-CD2 3.99Å; T69-L120 WeakPolarHBondContact CB-O 3.29Å; T69-L120 HydrophobicContact CG2-CB 4.11Å; T69-L120 HydrophobicContact CG2-CD2 3.68Å; T69-L120 VanDerWaalsContact CG2-O 3.32Å; T69-L120 WeakPolarHBondContact CG2-O 3.09Å; T69-L120 PolarHBondContact OG1-O 3.46Å; V116-L120 HydrophobicContact CG1-CD1 4.39Å; V116-L120 WeakPolarHBondContact O-CG 3.09Å; V116-L120 PolarHBondContact O-N 3.05Å; I117-L120 WeakPolarHBondContact O-CB 3.39Å; I117-L120 PolarHBondContact O-N 3.17Å
121L95.8Very high93.1Very high42 Ų4231 Ų3122%0.2218%0.183CC..Hα-helixtrans-67.6-43.8179.4-68.3166.3000111.9S89 T96 I117 Q118 G119 V124S89-L121 WeakPolarHBondContact CB-O 3.19Å; S89-L121 VanDerWaalsContact OG-C 3.31Å; S89-L121 PolarHBondContact OG-O 3.2Å; T96-L121 HydrophobicContact CG2-CD1 4.13Å; I117-L121 HydrophobicContact CG2-CD1 3.8Å; I117-L121 HydrophobicContact CG2-CG 4.32Å; I117-L121 WeakPolarHBondContact O-CB 3.11Å; I117-L121 VanDerWaalsContact O-CG 3.28Å; I117-L121 WeakPolarHBondContact O-CG 3.47Å; I117-L121 PolarHBondContact O-N 3.23Å; Q118-L121 PolarHBondContact O-N 3.09Å; G119-L121 VanDerWaalsContact C-N 3.26Å; G119-L121 PolarHBondContact O-N 3.29Å; L121-V124 WeakPolarHBondContact O-CG2 3.49Å
122Q93.3Very high92.8Very high33 Ų3331.7 Ų31.715%0.15419%0.186CC..Hα-helixtrans-79.3-23.5-176.7-69.6-176.916.100113.9F62 Y66 C93 Q118 G119 V124 V125F62-Q122 HydrophobicContact CE2-CB 4.05Å; F62-Q122 HydrophobicContact CE2-CG 4.26Å; F62-Q122 VanDerWaalsContact CE2-OE1 3.23Å; F62-Q122 HydrophobicContact CZ-CB 3.98Å; F62-Q122 VanDerWaalsContact CZ-OE1 3.29Å; Y66-Q122 HydrophobicContact CD2-CB 4.38Å; C93-Q122 WeakPolarHBondContact SG-CG 3.45Å; Q118-Q122 WeakPolarHBondContact O-CB 3.38Å; Q118-Q122 WeakPolarHBondContact O-CG 3.36Å; Q118-Q122 PolarHBondContact O-N 3.21Å; G119-Q122 PolarHBondContact O-N 3.41Å; Q122-V124 PolarHBondContact O-N 2.89Å; Q122-V124 VanDerWaalsContact O-N 3.08Å; Q122-V125 WeakPolarHBondContact O-CB 3.49Å; Q122-V125 WeakPolarHBondContact O-CG2 3.16Å; Q122-V125 PolarHBondContact O-N 3.42Å
123G91Very high92.5Very high0 Ų029.9 Ų29.90%018%0.177CC..THydrogen-bonded Turntrans-58.9-22.2-179.800000114.3T69 G119T69-G123 VanDerWaalsContact OG1-CA 3.31Å; T69-G123 WeakPolarHBondContact OG1-CA 3.3Å; G119-G123 PolarHBondContact O-N 3.25Å
124V92Very high91.8Very high16 Ų1627.4 Ų27.410%0.09717%0.166CC..THydrogen-bonded Turntrans-83.5-16.7177.3-480000113.5I85 L121 Q122 M126 P127 N128I85-V124 HydrophobicContact CG2-CB 3.72Å; I85-V124 HydrophobicContact CG2-CG1 4.42Å; I85-V124 HydrophobicContact CG2-CG2 3.48Å; I85-V124 VanDerWaalsContact CG2-CG2 3.48Å; L121-V124 WeakPolarHBondContact O-CG2 3.49Å; Q122-V124 PolarHBondContact O-N 2.89Å; Q122-V124 VanDerWaalsContact O-N 3.08Å; V124-M126 PolarHBondContact O-N 3.29Å; V124-P127 WeakPolarHBondContact O-CD 3.31Å; V124-P127 WeakPolarHBondContact O-CG 3.04Å; V124-N128 WeakPolarHBondContact O-CB 3.39Å; V124-N128 PolarHBondContact O-N 2.7Å; V124-N128 PolarHBondContact O-ND2 3.03Å
125V92Very high91.3Very high41 Ų4128.7 Ų28.725%0.24817%0.174CC..Hα-helixtrans-66-46.5-169.8176.20000111.5S89 Q122 N128 T129S89-V125 WeakPolarHBondContact OG-CG2 3.38Å; Q122-V125 WeakPolarHBondContact O-CB 3.49Å; Q122-V125 WeakPolarHBondContact O-CG2 3.16Å; Q122-V125 PolarHBondContact O-N 3.42Å; V125-N128 PolarHBondContact O-N 3.04Å; V125-T129 VanDerWaalsContact O-CB 3.3Å; V125-T129 WeakPolarHBondContact O-CB 3.43Å; V125-T129 PolarHBondContact O-N 3.23Å; V125-T129 PolarHBondContact O-OG1 3.3Å
126M87.3Confident91Very high63 Ų6331.3 Ų31.331%0.3118%0.184SC..Hα-helixtrans-59.2-55.9-178.7-76.8-68.3-16200113.8V124 N128 T129 G130 F150 L153V124-M126 PolarHBondContact O-N 3.29Å; M126-N128 VanDerWaalsContact C-N 3.31Å; M126-N128 PolarHBondContact O-N 3.21Å; M126-T129 PolarHBondContact O-N 3.11Å; M126-G130 PolarHBondContact O-N 2.97Å; M126-G130 VanDerWaalsContact O-N 3.11Å; M126-F150 HydrophobicContact CE-CD1 4.39Å; M126-F150 HydrophobicContact CE-CE1 3.83Å; M126-F150 HydrophobicContact SD-CD1 4.43Å; M126-F150 HydrophobicContact SD-CE1 3.47Å; M126-F150 WeakPolarHBondContact SD-CE1 3.33Å; M126-F150 HydrophobicContact SD-CZ 3.95Å; M126-L153 HydrophobicContact CE-CD1 3.45Å; M126-L153 VanDerWaalsContact CE-CD1 3.45Å; M126-L153 HydrophobicContact CE-CD2 4.25Å; M126-L153 HydrophobicContact CE-CG 4.49Å
127P86.1Confident90.5Very high39 Ų3929.5 Ų29.525%0.25317%0.172SC..Hα-helixtrans-61.9-39.6-179.922.9-33.4000112.2V124 G130 C131V124-P127 WeakPolarHBondContact O-CD 3.31Å; V124-P127 WeakPolarHBondContact O-CG 3.04Å; P127-G130 PolarHBondContact O-N 3.36Å; P127-C131 PolarHBondContact O-N 3.12Å; P127-C131 PolarHBondContact O-SG 3.42Å; P127-C131 VanDerWaalsContact O-SG 3.42Å
128N90.5Very high89.8Confident0 Ų026.7 Ų26.70%016%0.159CC..Hα-helixtrans-71.8-31.3-179.3-74.6-84.5000112.7G73 A77 P82 I85 I86 V124 V125 M126 G130 C131 L132G73-N128 PolarHBondContact O-ND2 2.86Å; A77-N128 WeakPolarHBondContact CB-OD1 3.25Å; P82-N128 VanDerWaalsContact CA-OD1 3.32Å; P82-N128 WeakPolarHBondContact CA-OD1 3.18Å; P82-N128 HydrophobicContact CB-CB 3.8Å; P82-N128 WeakPolarHBondContact CB-O 3.41Å; P82-N128 WeakPolarHBondContact CB-OD1 3.46Å; I85-N128 VanDerWaalsContact CG2-ND2 3.33Å; I85-N128 WeakPolarHBondContact CG2-ND2 3.15Å; I86-N128 HydrophobicContact CD1-CB 3.78Å; I86-N128 HydrophobicContact CG1-CB 3.7Å; V124-N128 WeakPolarHBondContact O-CB 3.39Å; V124-N128 PolarHBondContact O-N 2.7Å; V124-N128 PolarHBondContact O-ND2 3.03Å; V125-N128 PolarHBondContact O-N 3.04Å; M126-N128 VanDerWaalsContact C-N 3.31Å; M126-N128 PolarHBondContact O-N 3.21Å; N128-G130 VanDerWaalsContact C-N 3.32Å; N128-C131 WeakPolarHBondContact O-CB 3.44Å; N128-C131 PolarHBondContact O-N 3.49Å; N128-L132 PolarHBondContact O-N 3.37Å
129T91.6Very high88.9Confident26 Ų2629 Ų2916%0.1617%0.173CC..Hα-helixtrans-63.4-43170.7-59.60000110V125 M126 C131 L132 V133 V149V125-T129 VanDerWaalsContact O-CB 3.3Å; V125-T129 WeakPolarHBondContact O-CB 3.43Å; V125-T129 PolarHBondContact O-N 3.23Å; V125-T129 PolarHBondContact O-OG1 3.3Å; M126-T129 PolarHBondContact O-N 3.11Å; T129-C131 VanDerWaalsContact C-N 3.33Å; T129-C131 PolarHBondContact O-N 3.49Å; T129-L132 PolarHBondContact O-N 3.04Å; T129-V133 HydrophobicContact CG2-CG2 4.31Å; T129-V133 WeakPolarHBondContact O-CB 3.49Å; T129-V133 WeakPolarHBondContact O-CG2 3.37Å; T129-V133 PolarHBondContact O-N 3.42Å; T129-V149 HydrophobicContact CG2-CG1 3.53Å
130G86.3Confident88Confident39 Ų3932.9 Ų32.940%0.40220%0.201SC..Hα-helixtrans-58.9-40.4173.400000113.4M126 P127 N128 G134M126-G130 PolarHBondContact O-N 2.97Å; M126-G130 VanDerWaalsContact O-N 3.11Å; P127-G130 PolarHBondContact O-N 3.36Å; N128-G130 VanDerWaalsContact C-N 3.32Å; G130-G134 PolarHBondContact O-N 3.13Å
131C86.5Confident87.3Confident39 Ų3933.6 Ų33.626%0.26420%0.203SC..Hα-helixtrans-63.4-46.5173.9-66.40000112.3P82 P127 N128 T129 G134 N135P82-C131 HydrophobicContact CB-CB 3.96Å; P82-C131 HydrophobicContact CG-CB 3.94Å; P127-C131 PolarHBondContact O-N 3.12Å; P127-C131 PolarHBondContact O-SG 3.42Å; P127-C131 VanDerWaalsContact O-SG 3.42Å; N128-C131 WeakPolarHBondContact O-CB 3.44Å; N128-C131 PolarHBondContact O-N 3.49Å; T129-C131 VanDerWaalsContact C-N 3.33Å; T129-C131 PolarHBondContact O-N 3.49Å; C131-G134 PolarHBondContact O-N 2.84Å; C131-N135 VanDerWaalsContact O-CG 3.3Å; C131-N135 PolarHBondContact O-N 3.48Å; C131-N135 PolarHBondContact O-OD1 3.16Å
132L90Very high86.5Confident15 Ų1534.4 Ų34.48%0.07920%0.204CC..Hα-helixtrans-62.2-48.8177.1-78.5172000111.7P82 I86 N128 T129 G134 N135 W136 W205 V209P82-L132 HydrophobicContact CB-CD1 4.49Å; P82-L132 HydrophobicContact CB-CD2 4.37Å; P82-L132 HydrophobicContact CB-CG 3.9Å; P82-L132 HydrophobicContact CG-CD2 3.77Å; P82-L132 HydrophobicContact CG-CG 3.77Å; I86-L132 HydrophobicContact CD1-CD1 3.67Å; N128-L132 PolarHBondContact O-N 3.37Å; T129-L132 PolarHBondContact O-N 3.04Å; L132-G134 PolarHBondContact O-N 2.81Å; L132-N135 PolarHBondContact O-N 3.43Å; L132-N135 VanDerWaalsContact O-N 3.08Å; L132-W136 WeakPolarHBondContact O-CB 3.44Å; L132-W136 VanDerWaalsContact O-CD1 3.25Å; L132-W136 PolarHBondContact O-N 3.16Å; L132-W205 HydrophobicContact CD1-CH2 3.99Å; L132-W205 HydrophobicContact CD1-CZ2 3.61Å; L132-V209 HydrophobicContact CD1-CG1 4.05Å; L132-V209 HydrophobicContact CD2-CG1 4.27Å
133V89.5Confident85.7Confident5 Ų537.1 Ų37.13%0.0323%0.227CC..Hα-helixtrans-54.5-44.9174.31700000110T129 N135 W136 S137 K142 F145 T146 V149T129-V133 HydrophobicContact CG2-CG2 4.31Å; T129-V133 WeakPolarHBondContact O-CB 3.49Å; T129-V133 WeakPolarHBondContact O-CG2 3.37Å; T129-V133 PolarHBondContact O-N 3.42Å; V133-N135 VanDerWaalsContact C-N 3.31Å; V133-N135 PolarHBondContact O-N 2.9Å; V133-W136 PolarHBondContact O-N 3.42Å; V133-S137 VanDerWaalsContact O-CB 3.25Å; V133-S137 WeakPolarHBondContact O-CB 3.34Å; V133-S137 PolarHBondContact O-N 3.44Å; V133-S137 PolarHBondContact O-OG 3.37Å; V133-K142 HydrophobicContact CG1-CG 4.29Å; V133-F145 HydrophobicContact CB-CD1 4.09Å; V133-F145 HydrophobicContact CB-CE1 4.14Å; V133-F145 HydrophobicContact CG1-CD1 3.63Å; V133-F145 HydrophobicContact CG1-CE1 4.19Å; V133-F145 HydrophobicContact CG2-CD1 3.8Å; V133-F145 HydrophobicContact CG2-CE1 3.7Å; V133-T146 WeakPolarHBondContact CG1-OG1 3.5Å; V133-V149 HydrophobicContact CG2-CG2 4.29Å
134G83.8Confident85.1Confident23 Ų2344.9 Ų44.924%0.23726%0.256CS..Hα-helixtrans-59.6-37.4177.700000114.2G130 C131 L132G130-G134 PolarHBondContact O-N 3.13Å; C131-G134 PolarHBondContact O-N 2.84Å; L132-G134 PolarHBondContact O-N 2.81Å
135N85.2Confident84.7Confident53 Ų5348.2 Ų48.228%0.28327%0.269SS..Hα-helixtrans-79.7-26.5-179.7-67.6-9.4000113.4C131 L132 V133 N211 P213C131-N135 VanDerWaalsContact O-CG 3.3Å; C131-N135 PolarHBondContact O-N 3.48Å; C131-N135 PolarHBondContact O-OD1 3.16Å; L132-N135 PolarHBondContact O-N 3.43Å; L132-N135 VanDerWaalsContact O-N 3.08Å; V133-N135 VanDerWaalsContact C-N 3.31Å; V133-N135 PolarHBondContact O-N 2.9Å; N135-N211 WeakPolarHBondContact CB-O 3.28Å; N135-N211 PolarHBondContact ND2-O 2.84Å; N135-P213 VanDerWaalsContact O-CD 3.29Å; N135-P213 WeakPolarHBondContact O-CD 3.47Å; N135-P213 WeakPolarHBondContact O-CG 3.36Å
136W89.9Confident84.2Confident57 Ų5748.2 Ų48.222%0.21627%0.27CS..Hα-helixtrans-105.5-18.7-171.9-7993.7000114.7L132 V133 F210 P213 H216 I219L132-W136 WeakPolarHBondContact O-CB 3.44Å; L132-W136 VanDerWaalsContact O-CD1 3.25Å; L132-W136 PolarHBondContact O-N 3.16Å; V133-W136 PolarHBondContact O-N 3.42Å; W136-F210 HydrophobicContact CZ2-CB 4.02Å; W136-F210 PolarHBondContact NE1-O 3.13Å; W136-P213 HydrophobicContact CD2-CG 4.15Å; W136-P213 HydrophobicContact CE3-CG 4.04Å; W136-P213 HydrophobicContact CH2-CB 4.49Å; W136-P213 HydrophobicContact CZ3-CB 4.37Å; W136-P213 HydrophobicContact CZ3-CG 4.26Å; W136-H216 HydrophobicContact CH2-CB 3.6Å; W136-H216 AromaticContact CH2-CD2 3.52Å; W136-H216 AromaticContact CH2-CG 3.7Å; W136-H216 HydrophobicContact CZ2-CB 4.2Å; W136-I219 HydrophobicContact CZ3-CD1 4.18Å
137S86.4Confident83.8Confident3 Ų348.4 Ų48.42%0.02127%0.274CS..SBendtrans-99.7128.7-178.263.60000112V133 K142V133-S137 VanDerWaalsContact O-CB 3.25Å; V133-S137 WeakPolarHBondContact O-CB 3.34Å; V133-S137 PolarHBondContact O-N 3.44Å; V133-S137 PolarHBondContact O-OG 3.37Å; S137-K142 WeakPolarHBondContact OG-CB 3.34Å; S137-K142 VanDerWaalsContact OG-CG 3.31Å; S137-K142 WeakPolarHBondContact OG-CG 3.48Å
138P82.8Confident83.8Confident7 Ų754 Ų545%0.04530%0.295CS..  trans-56.2143.6164.7-23.132.6000110.6S140 E141 K142 Y226 I227P138-S140 PolarHBondContact O-N 3.45Å; P138-S140 VanDerWaalsContact O-N 3.11Å; P138-E141 HydrophobicContact CB-CG 4.39Å; P138-E141 PolarHBondContact O-N 2.97Å; P138-K142 PolarHBondContact O-N 2.97Å; P138-Y226 HydrophobicContact CB-CE1 4.08Å; P138-Y226 HydrophobicContact CG-CD1 4.03Å; P138-Y226 HydrophobicContact CG-CE1 3.55Å; P138-I227 HydrophobicContact CG-CG1 4.25Å
139P75.5Confident83.7Confident48 Ų4856.5 Ų56.531%0.31231%0.31SS..THydrogen-bonded Turntrans-58.3-29.8-176.2-27.535.5000114.9E141P139-E141 VanDerWaalsContact C-N 3.33Å
140S77.6Confident83.4Confident82 Ų8259 Ų5957%0.57332%0.319SS*.THydrogen-bonded Turntrans-70.3-25.8176.449.20000113.4P138P138-S140 PolarHBondContact O-N 3.45Å; P138-S140 VanDerWaalsContact O-N 3.11Å
141E81.3Confident83.2Confident75 Ų7559.5 Ų59.535%0.3532%0.316SS..THydrogen-bonded Turntrans-111.9-10.5-172.9-46.5-153.4139.200113.3P138 P139 S143 R144 F145P138-E141 HydrophobicContact CB-CG 4.39Å; P138-E141 PolarHBondContact O-N 2.97Å; P139-E141 VanDerWaalsContact C-N 3.33Å; E141-S143 PolarHBondContact O-N 2.83Å; E141-R144 VanDerWaalsContact CD-NH2 3.26Å; E141-R144 VanDerWaalsContact CG-NH2 3.34Å; E141-R144 PolarHBondContact O-N 2.89Å; E141-R144 IonicContact OE1-CZ 2.56Å; E141-R144 IonicContact OE1-NH2 3.93Å; E141-R144 PolarHBondContact OE1-NH2 3.39Å; E141-F145 PolarHBondContact O-N 2.91Å
142K78.8Confident83.3Confident58 Ų5859.4 Ų59.425%0.25232%0.322SS..Hα-helixtrans-46.6-41.1-177.6-176.3163.2-173175.30114V133 S137 P138 T146V133-K142 HydrophobicContact CG1-CG 4.29Å; S137-K142 WeakPolarHBondContact OG-CB 3.34Å; S137-K142 VanDerWaalsContact OG-CG 3.31Å; S137-K142 WeakPolarHBondContact OG-CG 3.48Å; P138-K142 PolarHBondContact O-N 2.97Å; K142-T146 VanDerWaalsContact O-CB 3.25Å; K142-T146 WeakPolarHBondContact O-CB 2.89Å; K142-T146 PolarHBondContact O-N 3.37Å; K142-T146 PolarHBondContact O-OG1 2.93Å
143S74.7Confident83.2Confident90 Ų9063.4 Ų63.463%0.62934%0.343SS*.Hα-helixtrans-65.7-43.2178.4-164.50000112.5E141 T146 T147E141-S143 PolarHBondContact O-N 2.83Å; S143-T146 PolarHBondContact O-N 2.91Å; S143-T147 PolarHBondContact O-N 3.37Å; S143-T147 PolarHBondContact O-OG1 3.31Å; S143-T147 VanDerWaalsContact O-OG1 3.04Å
144R79.3Confident83Confident163 Ų16364.9 Ų64.962%0.61535%0.352SS*.Hα-helixtrans-66.3-44.7178.6-69.3-177.3-72.3170.22.8110.6E141 T146 T147 F148E141-R144 VanDerWaalsContact CD-NH2 3.26Å; E141-R144 VanDerWaalsContact CG-NH2 3.34Å; E141-R144 PolarHBondContact O-N 2.89Å; E141-R144 IonicContact OE1-CZ 2.56Å; E141-R144 IonicContact OE1-NH2 3.93Å; E141-R144 PolarHBondContact OE1-NH2 3.39Å; R144-T146 VanDerWaalsContact C-N 3.35Å; R144-T146 PolarHBondContact O-N 3.13Å; R144-T147 PolarHBondContact O-N 3.43Å; R144-F148 WeakPolarHBondContact O-CB 3.44Å; R144-F148 PolarHBondContact O-N 3.22Å
145F83.3Confident83.2Confident86 Ų8668.3 Ų68.338%0.37736%0.364SS..Hα-helixtrans-60.4-44.6175.8-168.7-85.3000111.6V133 E141 F148 V149V133-F145 HydrophobicContact CB-CD1 4.09Å; V133-F145 HydrophobicContact CB-CE1 4.14Å; V133-F145 HydrophobicContact CG1-CD1 3.63Å; V133-F145 HydrophobicContact CG1-CE1 4.19Å; V133-F145 HydrophobicContact CG2-CD1 3.8Å; V133-F145 HydrophobicContact CG2-CE1 3.7Å; E141-F145 PolarHBondContact O-N 2.91Å; F145-F148 PolarHBondContact O-N 2.96Å; F145-V149 HydrophobicContact CD1-CG2 4.06Å; F145-V149 HydrophobicContact CE1-CG2 3.84Å; F145-V149 HydrophobicContact CZ-CG2 4.49Å; F145-V149 WeakPolarHBondContact O-CG2 3.46Å; F145-V149 PolarHBondContact O-N 3.09Å
146T81Confident83.5Confident41 Ų4167.8 Ų67.825%0.25237%0.37SS..Hα-helixtrans-60-54176.4-57.50000110.5V133 K142 S143 R144 F148 V149 F150V133-T146 WeakPolarHBondContact CG1-OG1 3.5Å; K142-T146 VanDerWaalsContact O-CB 3.25Å; K142-T146 WeakPolarHBondContact O-CB 2.89Å; K142-T146 PolarHBondContact O-N 3.37Å; K142-T146 PolarHBondContact O-OG1 2.93Å; S143-T146 PolarHBondContact O-N 2.91Å; R144-T146 VanDerWaalsContact C-N 3.35Å; R144-T146 PolarHBondContact O-N 3.13Å; T146-F148 VanDerWaalsContact C-N 3.27Å; T146-F148 PolarHBondContact O-N 3.09Å; T146-V149 PolarHBondContact O-N 3.46Å; T146-V149 VanDerWaalsContact O-N 3.1Å; T146-F150 HydrophobicContact CG2-CD2 3.52Å; T146-F150 HydrophobicContact CG2-CE2 3.54Å; T146-F150 VanDerWaalsContact O-CD2 3.28Å; T146-F150 WeakPolarHBondContact O-CD2 3.49Å; T146-F150 PolarHBondContact O-N 3.44Å
147T80.3Confident83.3Confident67 Ų6765.6 Ų65.641%0.41137%0.365SS..Hα-helixtrans-57-40.9-180-58.70000112.2S143 R144 F150 S151 L336S143-T147 PolarHBondContact O-N 3.37Å; S143-T147 PolarHBondContact O-OG1 3.31Å; S143-T147 VanDerWaalsContact O-OG1 3.04Å; R144-T147 PolarHBondContact O-N 3.43Å; T147-F150 PolarHBondContact O-N 3.16Å; T147-S151 PolarHBondContact O-N 3.38Å; T147-L336 HydrophobicContact CG2-CD2 3.75Å
148F85.6Confident83.4Confident157 Ų15766.9 Ų66.969%0.68937%0.372SS*.Hα-helixtrans-60.4-48.5175.8-178-99.5000111.9R144 F145 T146 F150 S151R144-F148 WeakPolarHBondContact O-CB 3.44Å; R144-F148 PolarHBondContact O-N 3.22Å; F145-F148 PolarHBondContact O-N 2.96Å; T146-F148 VanDerWaalsContact C-N 3.27Å; T146-F148 PolarHBondContact O-N 3.09Å; F148-F150 PolarHBondContact O-N 3.34Å; F148-S151 WeakPolarHBondContact O-CB 3.26Å; F148-S151 PolarHBondContact O-N 3.33Å; F148-S151 PolarHBondContact O-OG 3.02Å
149V89.1Confident83.7Confident52 Ų5271.2 Ų71.232%0.31539%0.394SS..Hα-helixtrans-60.1-44.8177.2171.10000111.7T129 V133 F145 T146 S151 G152T129-V149 HydrophobicContact CG2-CG1 3.53Å; V133-V149 HydrophobicContact CG2-CG2 4.29Å; F145-V149 HydrophobicContact CD1-CG2 4.06Å; F145-V149 HydrophobicContact CE1-CG2 3.84Å; F145-V149 HydrophobicContact CZ-CG2 4.49Å; F145-V149 WeakPolarHBondContact O-CG2 3.46Å; F145-V149 PolarHBondContact O-N 3.09Å; T146-V149 PolarHBondContact O-N 3.46Å; T146-V149 VanDerWaalsContact O-N 3.1Å; V149-S151 VanDerWaalsContact C-N 3.32Å; V149-S151 PolarHBondContact O-N 3.3Å; V149-G152 PolarHBondContact O-N 3.2Å
150F83.6Confident84.4Confident80 Ų8069.2 Ų69.235%0.35138%0.382SS..Hα-helixtrans-70.4-24.6-178.7-84.1-91.4000113.5M126 T146 T147 F148 G152 L153M126-F150 HydrophobicContact CE-CD1 4.39Å; M126-F150 HydrophobicContact CE-CE1 3.83Å; M126-F150 HydrophobicContact SD-CD1 4.43Å; M126-F150 HydrophobicContact SD-CE1 3.47Å; M126-F150 WeakPolarHBondContact SD-CE1 3.33Å; M126-F150 HydrophobicContact SD-CZ 3.95Å; T146-F150 HydrophobicContact CG2-CD2 3.52Å; T146-F150 HydrophobicContact CG2-CE2 3.54Å; T146-F150 VanDerWaalsContact O-CD2 3.28Å; T146-F150 WeakPolarHBondContact O-CD2 3.49Å; T146-F150 PolarHBondContact O-N 3.44Å; T147-F150 PolarHBondContact O-N 3.16Å; F148-F150 PolarHBondContact O-N 3.34Å; F150-G152 PolarHBondContact O-N 2.9Å; F150-L153 HydrophobicContact CD1-CD1 3.64Å; F150-L153 HydrophobicContact CE1-CD1 4.27Å; F150-L153 WeakPolarHBondContact O-CB 3.21Å; F150-L153 PolarHBondContact O-N 3.28Å
151S83.6Confident85Confident48 Ų4865.3 Ų65.334%0.33636%0.355SS..Hα-helixtrans-58.7-27.2173.177.80000112.7T147 F148 V149 L153 V154 I155T147-S151 PolarHBondContact O-N 3.38Å; F148-S151 WeakPolarHBondContact O-CB 3.26Å; F148-S151 PolarHBondContact O-N 3.33Å; F148-S151 PolarHBondContact O-OG 3.02Å; V149-S151 VanDerWaalsContact C-N 3.32Å; V149-S151 PolarHBondContact O-N 3.3Å; S151-L153 PolarHBondContact O-N 2.89Å; S151-V154 PolarHBondContact O-N 3.24Å; S151-V154 VanDerWaalsContact O-N 3.09Å; S151-I155 PolarHBondContact O-N 3.2Å
152G88.8Confident85.4Confident37 Ų3763 Ų6338%0.38135%0.346SS..Hα-helixtrans-59.1-26.6174.700000113.9V149 F150 V154 G156V149-G152 PolarHBondContact O-N 3.2Å; F150-G152 PolarHBondContact O-N 2.9Å; G152-V154 VanDerWaalsContact C-N 3.33Å; G152-V154 PolarHBondContact O-N 3.01Å; G152-G156 PolarHBondContact O-N 3.08Å
153L87.2Confident86Confident99 Ų9962.9 Ų62.952%0.51835%0.349SS..Hα-helixtrans-65.7-38.7176.1-64.3171.2000111.9M126 F150 S151 A157M126-L153 HydrophobicContact CE-CD1 3.45Å; M126-L153 VanDerWaalsContact CE-CD1 3.45Å; M126-L153 HydrophobicContact CE-CD2 4.25Å; M126-L153 HydrophobicContact CE-CG 4.49Å; F150-L153 HydrophobicContact CD1-CD1 3.64Å; F150-L153 HydrophobicContact CE1-CD1 4.27Å; F150-L153 WeakPolarHBondContact O-CB 3.21Å; F150-L153 PolarHBondContact O-N 3.28Å; S151-L153 PolarHBondContact O-N 2.89Å; L153-A157 WeakPolarHBondContact O-CB 3.4Å; L153-A157 PolarHBondContact O-N 3.47Å
154V85.7Confident86.8Confident36 Ų3658.6 Ų58.622%0.21832%0.319CS..Hα-helixtrans-73.6-48.8-178.2-179.10000109.1S151 G152 G156 A157 V158 I329 S332S151-V154 PolarHBondContact O-N 3.24Å; S151-V154 VanDerWaalsContact O-N 3.09Å; G152-V154 VanDerWaalsContact C-N 3.33Å; G152-V154 PolarHBondContact O-N 3.01Å; V154-G156 VanDerWaalsContact C-N 3.29Å; V154-G156 PolarHBondContact O-N 3.17Å; V154-A157 PolarHBondContact O-N 3.17Å; V154-A157 VanDerWaalsContact O-N 3.12Å; V154-V158 VanDerWaalsContact O-CG2 3.25Å; V154-V158 WeakPolarHBondContact O-CG2 3.41Å; V154-V158 PolarHBondContact O-N 3.35Å; V154-I329 HydrophobicContact CG1-CG1 4.41Å; V154-S332 WeakPolarHBondContact CG1-OG 3.47Å; V154-S332 WeakPolarHBondContact CG2-OG 3.24Å
155I88.5Confident87.4Confident96 Ų9650.9 Ų50.949%0.49229%0.289SS..Hα-helixtrans-58.2-45.6176.3-62.6170.6000110.2S151 A157 V158 I159S151-I155 PolarHBondContact O-N 3.2Å; I155-A157 VanDerWaalsContact C-N 3.33Å; I155-A157 PolarHBondContact O-N 3.41Å; I155-V158 PolarHBondContact O-N 3.32Å; I155-I159 HydrophobicContact CG2-CD1 3.7Å; I155-I159 HydrophobicContact CG2-CG1 4.4Å; I155-I159 WeakPolarHBondContact O-CG1 3.41Å; I155-I159 PolarHBondContact O-N 2.95Å
156G89.8Confident87.8Confident41 Ų4149.9 Ų49.942%0.42329%0.29SS..Hα-helixtrans-62.2-37.1176.700000113.2G152 V154 G160G152-G156 PolarHBondContact O-N 3.08Å; V154-G156 VanDerWaalsContact C-N 3.29Å; V154-G156 PolarHBondContact O-N 3.17Å; G156-G160 WeakPolarHBondContact O-CA 3.18Å; G156-G160 PolarHBondContact O-N 3.3Å
157A87.1Confident88.3Confident12 Ų1249.1 Ų49.110%0.09928%0.284CS..Hα-helixtrans-68.1-41.7175.400000112.3L153 V154 I155 G160 Q161L153-A157 WeakPolarHBondContact O-CB 3.4Å; L153-A157 PolarHBondContact O-N 3.47Å; V154-A157 PolarHBondContact O-N 3.17Å; V154-A157 VanDerWaalsContact O-N 3.12Å; I155-A157 VanDerWaalsContact C-N 3.33Å; I155-A157 PolarHBondContact O-N 3.41Å; A157-G160 PolarHBondContact O-N 2.92Å; A157-Q161 WeakPolarHBondContact O-CB 2.99Å; A157-Q161 VanDerWaalsContact O-CG 3.32Å; A157-Q161 WeakPolarHBondContact O-CG 3.3Å; A157-Q161 PolarHBondContact O-N 2.76Å
158V88.4Confident88.8Confident29 Ų2945.9 Ų45.918%0.17627%0.265CS..Hα-helixtrans-64.3-54.9179.4173.40000111.2V154 I155 G160 S162 I329V154-V158 VanDerWaalsContact O-CG2 3.25Å; V154-V158 WeakPolarHBondContact O-CG2 3.41Å; V154-V158 PolarHBondContact O-N 3.35Å; I155-V158 PolarHBondContact O-N 3.32Å; V158-G160 VanDerWaalsContact C-N 3.27Å; V158-G160 PolarHBondContact O-N 3.46Å; V158-S162 VanDerWaalsContact O-CB 3.25Å; V158-S162 WeakPolarHBondContact O-CB 3.33Å; V158-S162 PolarHBondContact O-N 3.22Å; V158-S162 PolarHBondContact O-OG 3Å; V158-I329 HydrophobicContact CG1-CD1 4.29Å; V158-I329 HydrophobicContact CG2-CD1 3.64Å; V158-I329 HydrophobicContact CG2-CG1 3.53Å
159I89.3Confident88.9Confident99 Ų9940.8 Ų40.851%0.50824%0.243SC..Hα-helixtrans-62.2-43.5177.5-62.6173.3000109.3I155 Q161 S162 L163 Y194I155-I159 HydrophobicContact CG2-CD1 3.7Å; I155-I159 HydrophobicContact CG2-CG1 4.4Å; I155-I159 WeakPolarHBondContact O-CG1 3.41Å; I155-I159 PolarHBondContact O-N 2.95Å; I159-Q161 PolarHBondContact O-N 3.1Å; I159-S162 PolarHBondContact O-N 3.07Å; I159-L163 VanDerWaalsContact O-CB 3.3Å; I159-L163 WeakPolarHBondContact O-CB 3.36Å; I159-L163 PolarHBondContact O-N 2.91Å; I159-Y194 PolarHBondContact O-OH 3.08Å
160G89.9Confident88.6Confident5 Ų539.3 Ų39.35%0.05224%0.235CC..Hα-helixtrans-45.5-62.9175.900000113.5G156 A157 V158 A164 Y194G156-G160 WeakPolarHBondContact O-CA 3.18Å; G156-G160 PolarHBondContact O-N 3.3Å; A157-G160 PolarHBondContact O-N 2.92Å; V158-G160 VanDerWaalsContact C-N 3.27Å; V158-G160 PolarHBondContact O-N 3.46Å; G160-A164 VanDerWaalsContact O-CB 3.29Å; G160-A164 WeakPolarHBondContact O-CB 3.5Å; G160-A164 PolarHBondContact O-N 3.19Å; G160-Y194 WeakPolarHBondContact CA-OH 3.48Å; G160-Y194 PolarHBondContact O-OH 3.17Å
161Q88.9Confident88.6Confident1 Ų140.4 Ų40.41%0.00524%0.236CC..Hα-helixtrans-70.9-40-176.5-68-179.528.300112.1V3 V7 A157 I159 A164 G165 G321 S324V3-Q161 HydrophobicContact CB-CG 4.04Å; V3-Q161 HydrophobicContact CG2-CG 3.92Å; V7-Q161 HydrophobicContact CG2-CB 4.12Å; V7-Q161 HydrophobicContact CG2-CG 4.13Å; A157-Q161 WeakPolarHBondContact O-CB 2.99Å; A157-Q161 VanDerWaalsContact O-CG 3.32Å; A157-Q161 WeakPolarHBondContact O-CG 3.3Å; A157-Q161 PolarHBondContact O-N 2.76Å; I159-Q161 PolarHBondContact O-N 3.1Å; Q161-A164 PolarHBondContact O-N 2.88Å; Q161-G165 PolarHBondContact O-N 3.5Å; Q161-G321 WeakPolarHBondContact CB-O 3.28Å; Q161-G321 WeakPolarHBondContact O-CA 3.26Å; Q161-S324 VanDerWaalsContact OE1-CB 3.23Å
162S90.6Very high88.4Confident25 Ų2541.4 Ų41.418%0.17524%0.237CC..Hα-helixtrans-64.2-49.3-178.4-57.60000111.7V158 I159 A164 G165 V166V158-S162 VanDerWaalsContact O-CB 3.25Å; V158-S162 WeakPolarHBondContact O-CB 3.33Å; V158-S162 PolarHBondContact O-N 3.22Å; V158-S162 PolarHBondContact O-OG 3Å; I159-S162 PolarHBondContact O-N 3.07Å; S162-A164 VanDerWaalsContact C-N 3.35Å; S162-A164 PolarHBondContact O-N 3.29Å; S162-G165 PolarHBondContact O-N 2.96Å; S162-V166 WeakPolarHBondContact O-CG2 3.47Å; S162-V166 PolarHBondContact O-N 3.29Å
163L91.2Very high87.9Confident57 Ų5741.8 Ų41.830%0.29823%0.232SC..Hα-helixtrans-65.3-40.2179.2-178.564.2000111.4I159 G165 V166 I167 I193 Y194I159-L163 VanDerWaalsContact O-CB 3.3Å; I159-L163 WeakPolarHBondContact O-CB 3.36Å; I159-L163 PolarHBondContact O-N 2.91Å; L163-G165 VanDerWaalsContact C-N 3.33Å; L163-G165 PolarHBondContact O-N 3.43Å; L163-V166 PolarHBondContact O-N 2.98Å; L163-I167 HydrophobicContact CD1-CD1 3.67Å; L163-I167 HydrophobicContact CD1-CG1 4.15Å; L163-I167 HydrophobicContact CG-CD1 3.82Å; L163-I167 WeakPolarHBondContact O-CG1 3.3Å; L163-I167 PolarHBondContact O-N 2.86Å; L163-I167 VanDerWaalsContact O-N 3.09Å; L163-I193 HydrophobicContact CD2-CG2 4.29Å; L163-Y194 WeakPolarHBondContact CB-OH 3.38Å; L163-Y194 HydrophobicContact CD2-CE1 4.28Å
164A92.5Very high87Confident0 Ų044.8 Ų44.80%024%0.243CC..Hα-helixtrans-60.5-42.9175.200000111.6D4 V7 T8 G160 Q161 S162 S168 V190D4-A164 HydrophobicContact CB-CB 4.19Å; V7-A164 HydrophobicContact CB-CB 3.95Å; V7-A164 HydrophobicContact CG1-CB 4.13Å; T8-A164 HydrophobicContact CG2-CB 4.26Å; G160-A164 VanDerWaalsContact O-CB 3.29Å; G160-A164 WeakPolarHBondContact O-CB 3.5Å; G160-A164 PolarHBondContact O-N 3.19Å; Q161-A164 PolarHBondContact O-N 2.88Å; S162-A164 VanDerWaalsContact C-N 3.35Å; S162-A164 PolarHBondContact O-N 3.29Å; A164-S168 WeakPolarHBondContact O-CB 3.25Å; A164-S168 PolarHBondContact O-N 2.97Å; A164-S168 PolarHBondContact O-OG 2.98Å; A164-V190 HydrophobicContact CB-CG1 3.8Å
165G90.5Very high86Confident0 Ų045.2 Ų45.20%025%0.248CC..Hα-helixtrans-63.4-48.1177.800000113.2Q161 S162 L163 I167 Q169 M317Q161-G165 PolarHBondContact O-N 3.5Å; S162-G165 PolarHBondContact O-N 2.96Å; L163-G165 VanDerWaalsContact C-N 3.33Å; L163-G165 PolarHBondContact O-N 3.43Å; G165-I167 PolarHBondContact O-N 3.29Å; G165-Q169 PolarHBondContact O-N 3.12Å; G165-Q169 VanDerWaalsContact O-N 3.09Å; G165-M317 VanDerWaalsContact CA-O 3.28Å; G165-M317 WeakPolarHBondContact CA-O 3.42Å
166V91.6Very high85Confident65 Ų6547.5 Ų47.539%0.39427%0.266SS..Hα-helixtrans-60.3-47.1179.3171.50000111.5S162 L163 R171 T318S162-V166 WeakPolarHBondContact O-CG2 3.47Å; S162-V166 PolarHBondContact O-N 3.29Å; L163-V166 PolarHBondContact O-N 2.98Å; V166-R171 PolarHBondContact O-NH2 3.39Å; V166-T318 HydrophobicContact CG2-CG2 3.93Å
167I91.9Very high84Confident25 Ų2552.6 Ų52.613%0.12828%0.284CS..Hα-helixtrans-72-43.1-176.7-65.5173.3000110.5L163 G165 Q169 R171 Y186 V190 I193L163-I167 HydrophobicContact CD1-CD1 3.67Å; L163-I167 HydrophobicContact CD1-CG1 4.15Å; L163-I167 HydrophobicContact CG-CD1 3.82Å; L163-I167 WeakPolarHBondContact O-CG1 3.3Å; L163-I167 PolarHBondContact O-N 2.86Å; L163-I167 VanDerWaalsContact O-N 3.09Å; G165-I167 PolarHBondContact O-N 3.29Å; I167-Q169 VanDerWaalsContact C-N 3.28Å; I167-Q169 PolarHBondContact O-N 3.3Å; I167-R171 PolarHBondContact O-NH1 3.5Å; I167-Y186 WeakPolarHBondContact CG2-O 3.42Å; I167-V190 HydrophobicContact CB-CG2 3.62Å; I167-V190 HydrophobicContact CD1-CG2 4.23Å; I167-V190 HydrophobicContact CG2-CG2 3.55Å; I167-I193 HydrophobicContact CD1-CD1 3.64Å
168S91Very high82.8Confident0 Ų056.3 Ų56.30%030%0.302CS..Hα-helixtrans-76.9-11.1-174.6-51.60000114.2T8 A11 A164 P170 S185 V190T8-S168 WeakPolarHBondContact CG2-OG 3.26Å; A11-S168 WeakPolarHBondContact CB-O 3.15Å; A164-S168 WeakPolarHBondContact O-CB 3.25Å; A164-S168 PolarHBondContact O-N 2.97Å; A164-S168 PolarHBondContact O-OG 2.98Å; S168-P170 WeakPolarHBondContact O-CD 3.39Å; S168-S185 PolarHBondContact O-OG 3.5Å; S168-V190 WeakPolarHBondContact OG-CG2 3.41Å
169Q87.1Confident81.6Confident49 Ų4962 Ų6223%0.22934%0.337CS..SBendtrans-51.7122.1174.4-17864.941.700110.5G165 I167 R171 M317G165-Q169 PolarHBondContact O-N 3.12Å; G165-Q169 VanDerWaalsContact O-N 3.09Å; I167-Q169 VanDerWaalsContact C-N 3.28Å; I167-Q169 PolarHBondContact O-N 3.3Å; Q169-R171 PolarHBondContact O-N 3.38Å; Q169-R171 PolarHBondContact O-NH1 3.48Å; Q169-R171 VanDerWaalsContact O-NH1 3.11Å; Q169-M317 HydrophobicContact CB-CB 4.43Å; Q169-M317 VanDerWaalsContact OE1-CB 3.25Å
170P83.4Confident80.4Confident22 Ų2261.3 Ų61.314%0.14334%0.337CS..  trans-60133174.2-2434.3000110.9A45 S168A45-P170 HydrophobicContact CB-CB 3.96Å; A45-P170 HydrophobicContact CB-CG 4.22Å; S168-P170 WeakPolarHBondContact O-CD 3.39Å
171R83.7Confident79.3Confident103 Ų10364.5 Ų64.539%0.38936%0.357SS..EExtended strand (participates in β ladder)trans-120.9143.3179.2-67.3176.2-177.681.4-3.1110.1V166 I167 Q169 V173 Y183 I184V166-R171 PolarHBondContact O-NH2 3.39Å; I167-R171 PolarHBondContact O-NH1 3.5Å; Q169-R171 PolarHBondContact O-N 3.38Å; Q169-R171 PolarHBondContact O-NH1 3.48Å; Q169-R171 VanDerWaalsContact O-NH1 3.11Å; R171-V173 PolarHBondContact O-N 3Å; R171-Y183 WeakPolarHBondContact O-CA 3.15Å; R171-I184 PolarHBondContact N-O 3.38Å; R171-I184 PolarHBondContact O-N 3.3Å
172L79.9Confident78.5Confident68 Ų6866.9 Ų66.936%0.35637%0.372SS..EExtended strand (participates in β ladder)trans-69.4126.1175.8-179.366000109.7P181 Y183L172-P181 HydrophobicContact CD1-CB 3.41Å; L172-P181 VanDerWaalsContact CD1-CB 3.41Å; L172-Y183 HydrophobicContact CB-CD1 4.23Å; L172-Y183 HydrophobicContact CB-CE1 3.87Å; L172-Y183 HydrophobicContact CD1-CE1 4.3Å; L172-Y183 HydrophobicContact CD1-CE2 4.16Å
173V77.4Confident77.8Confident45 Ų4568.7 Ų68.727%0.27338%0.375SS..EExtended strand (participates in β ladder)trans-106.9115.5171.5-178.80000107.7R171 S175 T182 I184R171-V173 PolarHBondContact O-N 3Å; V173-S175 PolarHBondContact O-N 2.75Å; V173-S175 VanDerWaalsContact O-N 3.07Å; V173-T182 PolarHBondContact N-O 3.33Å; V173-I184 HydrophobicContact CB-CD1 4.47Å; V173-I184 HydrophobicContact CG2-CB 4.16Å; V173-I184 HydrophobicContact CG2-CD1 3.97Å; V173-I184 HydrophobicContact CG2-CG1 4.04Å
174H69.1Low77.4Confident163 Ų16369.6 Ų69.676%0.75538%0.379SS*.  trans-76.494.1171.2-64.581.2000107.4
175S64.5Low77.1Confident45 Ų4569.9 Ų69.932%0.31538%0.381SS..  trans-82135.2163.8550000108V173 D177 L178V173-S175 PolarHBondContact O-N 2.75Å; V173-S175 VanDerWaalsContact O-N 3.07Å; S175-D177 PolarHBondContact O-N 2.93Å; S175-L178 WeakPolarHBondContact OG-CB 3.46Å; S175-L178 VanDerWaalsContact OG-CD1 3.22Å; S175-L178 WeakPolarHBondContact OG-CD1 3.35Å
176T66.3Low77.1Confident143 Ų14374 Ų7488%0.87740%0.398SS*.THydrogen-bonded Turntrans-65.1-18.2179.446.10000113
177D68.9Low77.2Confident148 Ų14871 Ų7179%0.79138%0.379SS*.THydrogen-bonded Turntrans-107.1-10.7-170.3-71.6-10000114.9S175S175-D177 PolarHBondContact O-N 2.93Å
178L62.8Low77.3Confident91 Ų9170.1 Ų70.148%0.47638%0.375SS..  trans-101.1128.2177.5-79.991.7000112S175 T180 T182S175-L178 WeakPolarHBondContact OG-CB 3.46Å; S175-L178 VanDerWaalsContact OG-CD1 3.22Å; S175-L178 WeakPolarHBondContact OG-CD1 3.35Å; L178-T180 PolarHBondContact O-N 3.31Å; L178-T182 HydrophobicContact CD2-CG2 4.48Å
179T64.1Low77.5Confident148 Ų14876.2 Ų76.291%0.90840%0.399SS*.SBendtrans-69.8-12.5167.5520000112.7
180T63.4Low77.9Confident84 Ų8473.9 Ų73.952%0.51539%0.388SS..SBendtrans-108.7132-179.754.50000112L178 T182L178-T180 PolarHBondContact O-N 3.31Å; T180-T182 PolarHBondContact O-N 3.12Å; T180-T182 VanDerWaalsContact O-N 3.15Å
181P67.4Low78.5Confident72 Ų7272.9 Ų72.947%0.46838%0.382SS..PPolyproline II helixtrans-61.9118.1175.324.7-32.2000110T41 L172 Y183T41-P181 HydrophobicContact CG2-CG 4.35Å; L172-P181 HydrophobicContact CD1-CB 3.41Å; L172-P181 VanDerWaalsContact CD1-CB 3.41Å; P181-Y183 HydrophobicContact CB-CE2 4.23Å
182T70.6Confident79.2Confident51 Ų5171.5 Ų71.531%0.31338%0.377SS..EExtended strand (participates in β ladder)trans-98.8125.8178.7-5.90000110V173 L178 T180V173-T182 PolarHBondContact N-O 3.33Å; L178-T182 HydrophobicContact CD2-CG2 4.48Å; T180-T182 PolarHBondContact O-N 3.12Å; T180-T182 VanDerWaalsContact O-N 3.15Å
183Y76.6Confident79.9Confident63 Ų6371.2 Ų71.225%0.24738%0.375CS..EExtended strand (participates in β ladder)trans-101.8131.3175-67.9-93.7000109.8T41 A45 R171 L172 P181T41-Y183 HydrophobicContact CG2-CE2 3.89Å; T41-Y183 WeakPolarHBondContact CG2-OH 3.48Å; A45-Y183 WeakPolarHBondContact CB-O 3.44Å; R171-Y183 WeakPolarHBondContact O-CA 3.15Å; L172-Y183 HydrophobicContact CB-CD1 4.23Å; L172-Y183 HydrophobicContact CB-CE1 3.87Å; L172-Y183 HydrophobicContact CD1-CE1 4.3Å; L172-Y183 HydrophobicContact CD1-CE2 4.16Å; P181-Y183 HydrophobicContact CB-CE2 4.23Å
184I82.3Confident80.7Confident76 Ų7670.1 Ų70.139%0.3937%0.366SS..EExtended strand (participates in β ladder)trans-121.5136.2177.5-58.8-176.6000109.2R171 V173R171-I184 PolarHBondContact N-O 3.38Å; R171-I184 PolarHBondContact O-N 3.3Å; V173-I184 HydrophobicContact CB-CD1 4.47Å; V173-I184 HydrophobicContact CG2-CB 4.16Å; V173-I184 HydrophobicContact CG2-CD1 3.97Å; V173-I184 HydrophobicContact CG2-CG1 4.04Å
185S86.3Confident82Confident6 Ų662.4 Ų62.44%0.04233%0.33CS..  trans-97.5137.2169.9178.80000111.2A11 S168 W187A11-S185 VanDerWaalsContact CB-OG 3.31Å; A11-S185 WeakPolarHBondContact CB-OG 3.49Å; S168-S185 PolarHBondContact O-OG 3.5Å; S185-W187 VanDerWaalsContact C-N 3.31Å; S185-W187 PolarHBondContact O-N 3.19Å; S185-W187 PolarHBondContact OG-N 3.43Å
186Y90.8Very high83.6Confident88 Ų8864.8 Ų64.835%0.34534%0.339SS..  trans-96.126.8177.5-65.1-77.7000112.5I167 P188 Y189I167-Y186 WeakPolarHBondContact CG2-O 3.42Å; Y186-P188 VanDerWaalsContact C-N 3.28Å; Y186-P188 WeakPolarHBondContact O-CD 3.32Å; Y186-P188 VanDerWaalsContact O-N 3.11Å; Y186-Y189 HydrophobicContact CD1-CD2 4.01Å; Y186-Y189 AromaticContact CD1-CE2 3.72Å; Y186-Y189 HydrophobicContact CD1-CE2 3.72Å; Y186-Y189 HydrophobicContact CG-CD2 4.4Å; Y186-Y189 WeakPolarHBondContact O-CB 3.33Å; Y186-Y189 WeakPolarHBondContact O-CD2 3.38Å; Y186-Y189 PolarHBondContact O-N 3.17Å
187W92.9Very high84.9Confident0 Ų061.3 Ų61.30%031%0.314CS..Hα-helixtrans-49.8-32.6-179.871.5-90.9000115.5A11 M12 E47 F48 I100 P101 A104 S185 Y189 V190 H191A11-W187 HydrophobicContact CB-CB 4.34Å; M12-W187 HydrophobicContact CE-CE3 4.14Å; M12-W187 HydrophobicContact CE-CH2 3.83Å; M12-W187 HydrophobicContact CE-CZ2 4.46Å; M12-W187 HydrophobicContact CE-CZ3 3.65Å; M12-W187 HydrophobicContact CG-CD2 3.41Å; M12-W187 VanDerWaalsContact CG-CD2 3.41Å; M12-W187 HydrophobicContact CG-CE3 3.56Å; M12-W187 HydrophobicContact CG-CG 3.83Å; M12-W187 HydrophobicContact CG-CH2 4.31Å; M12-W187 HydrophobicContact CG-CZ2 4.22Å; M12-W187 HydrophobicContact CG-CZ3 4.01Å; M12-W187 HydrophobicContact SD-CD2 4.29Å; M12-W187 HydrophobicContact SD-CE3 3.78Å; M12-W187 HydrophobicContact SD-CZ3 3.92Å; E47-W187 PolarHBondContact OE1-NE1 3.25Å; F48-W187 AromaticContact CE2-CH2 3.87Å; F48-W187 HydrophobicContact CE2-CH2 3.87Å; F48-W187 AromaticContact CE2-CZ2 3.53Å; F48-W187 HydrophobicContact CE2-CZ2 3.53Å; F48-W187 HydrophobicContact CZ-CH2 4.06Å; F48-W187 AromaticContact CZ-CZ2 3.66Å; F48-W187 HydrophobicContact CZ-CZ2 3.66Å; I100-W187 HydrophobicContact CG2-CZ3 4.44Å; P101-W187 HydrophobicContact CB-CH2 3.95Å; P101-W187 HydrophobicContact CB-CZ3 4.05Å; P101-W187 HydrophobicContact CG-CZ3 4.13Å; A104-W187 HydrophobicContact CB-CH2 3.92Å; S185-W187 VanDerWaalsContact C-N 3.31Å; S185-W187 PolarHBondContact O-N 3.19Å; S185-W187 PolarHBondContact OG-N 3.43Å; W187-Y189 PolarHBondContact O-N 2.9Å; W187-V190 VanDerWaalsContact O-CB 3.31Å; W187-V190 WeakPolarHBondContact O-CB 3.28Å; W187-V190 PolarHBondContact O-N 3.45Å; W187-V190 VanDerWaalsContact O-N 3.12Å; W187-H191 AromaticContact CE3-CD2 3.67Å; W187-H191 AromaticContact CE3-NE2 3.87Å; W187-H191 AromaticContact CZ3-CD2 3.83Å
188P95.5Very high86.2Confident8 Ų854.6 Ų54.65%0.05228%0.279CS..Hα-helixtrans-60.5-32.7178.2-26.738.9000113.1P101 Y186 V190 H191 Y192P101-P188 HydrophobicContact CB-CB 3.85Å; P101-P188 HydrophobicContact CB-CG 4.43Å; P101-P188 HydrophobicContact CG-CB 3.89Å; Y186-P188 VanDerWaalsContact C-N 3.28Å; Y186-P188 WeakPolarHBondContact O-CD 3.32Å; Y186-P188 VanDerWaalsContact O-N 3.11Å; P188-V190 PolarHBondContact O-N 3.2Å; P188-H191 PolarHBondContact O-N 3.49Å; P188-H191 VanDerWaalsContact O-N 3.17Å; P188-Y192 HydrophobicContact CB-CE2 4Å; P188-Y192 WeakPolarHBondContact O-CD2 3.36Å; P188-Y192 PolarHBondContact O-N 3.48Å
189Y95.3Very high87.8Confident128 Ų12852.9 Ų52.950%0.50227%0.272SS..Hα-helixtrans-65.6-26.6-179.6-70.9-84.1000112.5Y186 W187 H191 Y192 I193Y186-Y189 HydrophobicContact CD1-CD2 4.01Å; Y186-Y189 AromaticContact CD1-CE2 3.72Å; Y186-Y189 HydrophobicContact CD1-CE2 3.72Å; Y186-Y189 HydrophobicContact CG-CD2 4.4Å; Y186-Y189 WeakPolarHBondContact O-CB 3.33Å; Y186-Y189 WeakPolarHBondContact O-CD2 3.38Å; Y186-Y189 PolarHBondContact O-N 3.17Å; W187-Y189 PolarHBondContact O-N 2.9Å; Y189-H191 VanDerWaalsContact C-N 3.35Å; Y189-Y192 PolarHBondContact O-N 3.03Å; Y189-I193 VanDerWaalsContact O-CB 3.3Å; Y189-I193 WeakPolarHBondContact O-CB 3.36Å; Y189-I193 WeakPolarHBondContact O-CD1 3.48Å; Y189-I193 WeakPolarHBondContact O-CG1 3.34Å; Y189-I193 PolarHBondContact O-N 2.91Å
190V95.2Very high89.4Confident0 Ų049.7 Ų49.70%025%0.252CS..Hα-helixtrans-58.4-51.1172.9-179.20000109.9D4 T8 A164 I167 S168 W187 P188 I193 Y194D4-V190 HydrophobicContact CB-CG1 3.95Å; T8-V190 HydrophobicContact CG2-CB 3.84Å; T8-V190 HydrophobicContact CG2-CG1 3.76Å; T8-V190 HydrophobicContact CG2-CG2 3.88Å; A164-V190 HydrophobicContact CB-CG1 3.8Å; I167-V190 HydrophobicContact CB-CG2 3.62Å; I167-V190 HydrophobicContact CD1-CG2 4.23Å; I167-V190 HydrophobicContact CG2-CG2 3.55Å; S168-V190 WeakPolarHBondContact OG-CG2 3.41Å; W187-V190 VanDerWaalsContact O-CB 3.31Å; W187-V190 WeakPolarHBondContact O-CB 3.28Å; W187-V190 PolarHBondContact O-N 3.45Å; W187-V190 VanDerWaalsContact O-N 3.12Å; P188-V190 PolarHBondContact O-N 3.2Å; V190-I193 PolarHBondContact O-N 2.97Å; V190-Y194 HydrophobicContact CG1-CD2 3.67Å; V190-Y194 HydrophobicContact CG1-CE2 3.46Å; V190-Y194 VanDerWaalsContact CG1-CE2 3.46Å; V190-Y194 WeakPolarHBondContact O-CD2 3.4Å; V190-Y194 PolarHBondContact O-N 3.38Å
191H96.5Very high90.9Very high0 Ų051.6 Ų51.60%025%0.254CS..Hα-helixtrans-67.3-41.1-178.9-60.9-64.9000111.4T8 E97 P101 W187 P188 Y189 I193 Y194 G195T8-H191 PolarHBondContact OG1-NE2 2.85Å; T8-H191 VanDerWaalsContact OG1-NE2 3.1Å; E97-H191 HydrophobicContact CG-CB 4.13Å; E97-H191 WeakPolarHBondContact CG-O 3.39Å; E97-H191 IonicContact OE1-CE1 2.89Å; E97-H191 IonicContact OE1-CG 2.86Å; E97-H191 IonicContact OE1-ND1 3.23Å; E97-H191 PolarHBondContact OE1-ND1 2.9Å; P101-H191 HydrophobicContact CG-CB 4.02Å; W187-H191 AromaticContact CE3-CD2 3.67Å; W187-H191 AromaticContact CE3-NE2 3.87Å; W187-H191 AromaticContact CZ3-CD2 3.83Å; P188-H191 PolarHBondContact O-N 3.49Å; P188-H191 VanDerWaalsContact O-N 3.17Å; Y189-H191 VanDerWaalsContact C-N 3.35Å; H191-I193 PolarHBondContact O-N 3.21Å; H191-Y194 PolarHBondContact O-N 3.3Å; H191-G195 PolarHBondContact O-N 2.65Å
192Y96.8Very high92.3Very high74 Ų7448.4 Ų48.429%0.2923%0.233SC..Hα-helixtrans-63.8-42.2175.4-60.2-31.3000113F98 P101 P188 Y189 G195 I196F98-Y192 AromaticContact CD1-CD1 3.91Å; F98-Y192 HydrophobicContact CD1-CD1 3.91Å; P101-Y192 HydrophobicContact CB-CE1 4.3Å; P101-Y192 HydrophobicContact CG-CD1 4.33Å; P101-Y192 HydrophobicContact CG-CE1 3.71Å; P188-Y192 HydrophobicContact CB-CE2 4Å; P188-Y192 WeakPolarHBondContact O-CD2 3.36Å; P188-Y192 PolarHBondContact O-N 3.48Å; Y189-Y192 PolarHBondContact O-N 3.03Å; Y192-G195 PolarHBondContact O-N 3.45Å; Y192-I196 VanDerWaalsContact O-CG1 3.29Å; Y192-I196 WeakPolarHBondContact O-CG1 3.49Å; Y192-I196 PolarHBondContact O-N 3.48Å
193I95.8Very high93.5Very high62 Ų6247.6 Ų47.632%0.31824%0.235SC..Hα-helixtrans-64.1-46.8177.2-72.3164.5000110.4L163 I167 Y189 V190 H191 G195 I196 I197L163-I193 HydrophobicContact CD2-CG2 4.29Å; I167-I193 HydrophobicContact CD1-CD1 3.64Å; Y189-I193 VanDerWaalsContact O-CB 3.3Å; Y189-I193 WeakPolarHBondContact O-CB 3.36Å; Y189-I193 WeakPolarHBondContact O-CD1 3.48Å; Y189-I193 WeakPolarHBondContact O-CG1 3.34Å; Y189-I193 PolarHBondContact O-N 2.91Å; V190-I193 PolarHBondContact O-N 2.97Å; H191-I193 PolarHBondContact O-N 3.21Å; I193-G195 VanDerWaalsContact C-N 3.32Å; I193-G195 PolarHBondContact O-N 2.93Å; I193-I196 PolarHBondContact O-N 3.29Å; I193-I197 HydrophobicContact CG2-CD1 3.74Å; I193-I197 HydrophobicContact CG2-CG1 4.4Å; I193-I197 WeakPolarHBondContact O-CB 3.24Å; I193-I197 VanDerWaalsContact O-CG1 3.28Å; I193-I197 WeakPolarHBondContact O-CG1 3.17Å; I193-I197 PolarHBondContact O-N 2.95Å
194Y94.5Very high94.5Very high23 Ų2348.2 Ų48.29%0.0924%0.242CC..Hα-helixtrans-65.7-34.7176.7-74.6-54.1000113D4 I159 G160 L163 V190 H191 I197 A198D4-Y194 HydrophobicContact CB-CD2 3.96Å; D4-Y194 HydrophobicContact CB-CE2 3.69Å; D4-Y194 WeakPolarHBondContact OD2-CD2 3.29Å; I159-Y194 PolarHBondContact O-OH 3.08Å; G160-Y194 WeakPolarHBondContact CA-OH 3.48Å; G160-Y194 PolarHBondContact O-OH 3.17Å; L163-Y194 WeakPolarHBondContact CB-OH 3.38Å; L163-Y194 HydrophobicContact CD2-CE1 4.28Å; V190-Y194 HydrophobicContact CG1-CD2 3.67Å; V190-Y194 HydrophobicContact CG1-CE2 3.46Å; V190-Y194 VanDerWaalsContact CG1-CE2 3.46Å; V190-Y194 WeakPolarHBondContact O-CD2 3.4Å; V190-Y194 PolarHBondContact O-N 3.38Å; H191-Y194 PolarHBondContact O-N 3.3Å; Y194-I197 HydrophobicContact CD1-CD1 4.4Å; Y194-I197 PolarHBondContact O-N 3.44Å; Y194-A198 VanDerWaalsContact O-CB 3.23Å; Y194-A198 WeakPolarHBondContact O-CB 3.37Å; Y194-A198 PolarHBondContact O-N 3.06Å
195G96Very high95.1Very high0 Ų047.5 Ų47.50%023%0.234CC..Hα-helixtrans-59.1-49.3171.100000111.7H191 Y192 I193 A198 V199H191-G195 PolarHBondContact O-N 2.65Å; Y192-G195 PolarHBondContact O-N 3.45Å; I193-G195 VanDerWaalsContact C-N 3.32Å; I193-G195 PolarHBondContact O-N 2.93Å; G195-A198 PolarHBondContact O-N 2.79Å; G195-V199 WeakPolarHBondContact O-CG2 3.31Å; G195-V199 PolarHBondContact O-N 2.78Å
196I97.1Very high95.5Very high96 Ų9649.1 Ų49.149%0.49224%0.244SC..Hα-helixtrans-61.6-48.8177.5-67.8165.2000110.8F98 Y192 I193 A198 V199 V200F98-I196 HydrophobicContact CE1-CG1 4Å; F98-I196 HydrophobicContact CZ-CG1 3.81Å; Y192-I196 VanDerWaalsContact O-CG1 3.29Å; Y192-I196 WeakPolarHBondContact O-CG1 3.49Å; Y192-I196 PolarHBondContact O-N 3.48Å; I193-I196 PolarHBondContact O-N 3.29Å; I196-A198 VanDerWaalsContact C-N 3.29Å; I196-A198 PolarHBondContact O-N 2.86Å; I196-V199 PolarHBondContact O-N 2.88Å; I196-V200 HydrophobicContact CG2-CG2 4.34Å; I196-V200 WeakPolarHBondContact O-CG2 3.13Å; I196-V200 PolarHBondContact O-N 3.31Å
197I95.2Very high95.6Very high70 Ų7049 Ų4936%0.35925%0.252SS..Hα-helixtrans-56.2-47.7177.3-70.2170.8000109.5I193 Y194 V199 V200 F201I193-I197 HydrophobicContact CG2-CD1 3.74Å; I193-I197 HydrophobicContact CG2-CG1 4.4Å; I193-I197 WeakPolarHBondContact O-CB 3.24Å; I193-I197 VanDerWaalsContact O-CG1 3.28Å; I193-I197 WeakPolarHBondContact O-CG1 3.17Å; I193-I197 PolarHBondContact O-N 2.95Å; Y194-I197 HydrophobicContact CD1-CD1 4.4Å; Y194-I197 PolarHBondContact O-N 3.44Å; I197-V199 PolarHBondContact O-N 3.48Å; I197-V200 PolarHBondContact O-N 2.97Å; I197-F201 HydrophobicContact CG2-CD2 3.58Å; I197-F201 HydrophobicContact CG2-CE2 3.8Å; I197-F201 WeakPolarHBondContact O-CB 3.31Å; I197-F201 VanDerWaalsContact O-CD2 3.31Å; I197-F201 WeakPolarHBondContact O-CD2 3.48Å; I197-F201 PolarHBondContact O-N 3.32Å
198A95.1Very high95.6Very high7 Ų753.7 Ų53.76%0.05828%0.277CS..Hα-helixtrans-63.7-39179.900000112.9M1 A94 Y194 G195 I196 S202M1-A198 HydrophobicContact CE-CB 3.9Å; M1-A198 HydrophobicContact SD-CB 3.78Å; A94-A198 HydrophobicContact CB-CB 3.62Å; Y194-A198 VanDerWaalsContact O-CB 3.23Å; Y194-A198 WeakPolarHBondContact O-CB 3.37Å; Y194-A198 PolarHBondContact O-N 3.06Å; G195-A198 PolarHBondContact O-N 2.79Å; I196-A198 VanDerWaalsContact C-N 3.29Å; I196-A198 PolarHBondContact O-N 2.86Å; A198-S202 VanDerWaalsContact O-CB 3.29Å; A198-S202 WeakPolarHBondContact O-CB 3.39Å; A198-S202 PolarHBondContact O-N 2.97Å; A198-S202 PolarHBondContact O-OG 3.42Å
199V97.3Very high95.6Very high55 Ų5554.7 Ų54.733%0.33328%0.283SS..Hα-helixtrans-62.6-50.1173172.10000110.8A94 F98 G195 I196 I197 F201 S202 G203A94-V199 HydrophobicContact CB-CG2 3.67Å; F98-V199 HydrophobicContact CE2-CG2 3.92Å; G195-V199 WeakPolarHBondContact O-CG2 3.31Å; G195-V199 PolarHBondContact O-N 2.78Å; I196-V199 PolarHBondContact O-N 2.88Å; I197-V199 PolarHBondContact O-N 3.48Å; V199-F201 VanDerWaalsContact C-N 3.34Å; V199-F201 PolarHBondContact O-N 3.13Å; V199-S202 PolarHBondContact O-N 3.32Å; V199-S202 VanDerWaalsContact O-N 3.13Å; V199-S202 PolarHBondContact O-OG 3.05Å; V199-G203 PolarHBondContact O-N 3.28Å
200V97.2Very high95.5Very high80 Ų8050.3 Ų50.349%0.48527%0.266SS..Hα-helixtrans-59.4-47.2179.7171.80000110.6I196 I197 S202 G203 I204I196-V200 HydrophobicContact CG2-CG2 4.34Å; I196-V200 WeakPolarHBondContact O-CG2 3.13Å; I196-V200 PolarHBondContact O-N 3.31Å; I197-V200 PolarHBondContact O-N 2.97Å; V200-S202 VanDerWaalsContact C-N 3.32Å; V200-S202 PolarHBondContact O-N 2.81Å; V200-G203 PolarHBondContact O-N 3.41Å; V200-G203 VanDerWaalsContact O-N 3.16Å; V200-I204 HydrophobicContact CG1-CD1 3.9Å; V200-I204 HydrophobicContact CG1-CG1 4.49Å; V200-I204 WeakPolarHBondContact O-CG1 3.22Å; V200-I204 PolarHBondContact O-N 2.86Å
201F95.4Very high95.2Very high125 Ų12551.4 Ų51.455%0.54827%0.272SS..Hα-helixtrans-63.5-36.4176.2-91.5-85.1000112.5I197 V199 G203 I204 W205I197-F201 HydrophobicContact CG2-CD2 3.58Å; I197-F201 HydrophobicContact CG2-CE2 3.8Å; I197-F201 WeakPolarHBondContact O-CB 3.31Å; I197-F201 VanDerWaalsContact O-CD2 3.31Å; I197-F201 WeakPolarHBondContact O-CD2 3.48Å; I197-F201 PolarHBondContact O-N 3.32Å; V199-F201 VanDerWaalsContact C-N 3.34Å; V199-F201 PolarHBondContact O-N 3.13Å; F201-G203 VanDerWaalsContact C-N 3.32Å; F201-G203 PolarHBondContact O-N 3.11Å; F201-I204 PolarHBondContact O-N 3.04Å; F201-W205 WeakPolarHBondContact O-CB 3.39Å; F201-W205 PolarHBondContact O-N 3.49Å
202S95.9Very high94.8Very high4 Ų452.8 Ų52.83%0.02828%0.282CS..Hα-helixtrans-63.1-39.1174.177.30000111.5F87 A198 V199 V200 W205 T206F87-S202 WeakPolarHBondContact CD2-O 3.34Å; A198-S202 VanDerWaalsContact O-CB 3.29Å; A198-S202 WeakPolarHBondContact O-CB 3.39Å; A198-S202 PolarHBondContact O-N 2.97Å; A198-S202 PolarHBondContact O-OG 3.42Å; V199-S202 PolarHBondContact O-N 3.32Å; V199-S202 VanDerWaalsContact O-N 3.13Å; V199-S202 PolarHBondContact O-OG 3.05Å; V200-S202 VanDerWaalsContact C-N 3.32Å; V200-S202 PolarHBondContact O-N 2.81Å; S202-W205 WeakPolarHBondContact O-CB 3.05Å; S202-W205 PolarHBondContact O-N 2.98Å; S202-T206 WeakPolarHBondContact O-CG2 3.41Å; S202-T206 PolarHBondContact O-N 2.9Å; S202-T206 VanDerWaalsContact O-N 3.13Å
203G96.1Very high94.3Very high35 Ų3549.4 Ų49.436%0.36127%0.269SS..Hα-helixtrans-67.9-41.6174.300000113.1V199 V200 F201 W205 T206V199-G203 PolarHBondContact O-N 3.28Å; V200-G203 PolarHBondContact O-N 3.41Å; V200-G203 VanDerWaalsContact O-N 3.16Å; F201-G203 VanDerWaalsContact C-N 3.32Å; F201-G203 PolarHBondContact O-N 3.11Å; G203-W205 VanDerWaalsContact C-N 3.29Å; G203-W205 PolarHBondContact O-N 2.89Å; G203-T206 PolarHBondContact O-N 2.84Å; G203-T206 PolarHBondContact O-OG1 2.86Å
204I96.4Very high93.9Very high75 Ų7550.8 Ų50.839%0.38528%0.277SS..Hα-helixtrans-62.4-40.9173.2-67.5170000110.4V200 F201 T206 V207 L208V200-I204 HydrophobicContact CG1-CD1 3.9Å; V200-I204 HydrophobicContact CG1-CG1 4.49Å; V200-I204 WeakPolarHBondContact O-CG1 3.22Å; V200-I204 PolarHBondContact O-N 2.86Å; F201-I204 PolarHBondContact O-N 3.04Å; I204-T206 PolarHBondContact O-N 3.11Å; I204-V207 PolarHBondContact O-N 2.6Å; I204-L208 HydrophobicContact CG2-CD1 3.49Å; I204-L208 VanDerWaalsContact CG2-CD1 3.49Å; I204-L208 HydrophobicContact CG2-CG 4.04Å; I204-L208 WeakPolarHBondContact O-CB 3.31Å; I204-L208 PolarHBondContact O-N 3.18Å
205W96.3Very high93.5Very high62 Ų6255 Ų5524%0.23530%0.297CS..Hα-helixtrans-62.7-38.9-179.4-173.8-87.9000112.8K83 I86 L90 L132 F201 S202 G203 V207 V209K83-W205 PolarHBondContact O-NE1 3.16Å; I86-W205 HydrophobicContact CB-CZ2 3.81Å; I86-W205 HydrophobicContact CD1-CH2 4.22Å; I86-W205 HydrophobicContact CD1-CZ2 3.74Å; I86-W205 HydrophobicContact CG1-CZ2 4.39Å; I86-W205 HydrophobicContact CG2-CD2 4.3Å; I86-W205 HydrophobicContact CG2-CH2 4.03Å; I86-W205 HydrophobicContact CG2-CZ2 3.48Å; I86-W205 VanDerWaalsContact CG2-CZ2 3.48Å; L90-W205 HydrophobicContact CD1-CD2 4.39Å; L90-W205 HydrophobicContact CD1-CG 4.39Å; L132-W205 HydrophobicContact CD1-CH2 3.99Å; L132-W205 HydrophobicContact CD1-CZ2 3.61Å; F201-W205 WeakPolarHBondContact O-CB 3.39Å; F201-W205 PolarHBondContact O-N 3.49Å; S202-W205 WeakPolarHBondContact O-CB 3.05Å; S202-W205 PolarHBondContact O-N 2.98Å; G203-W205 VanDerWaalsContact C-N 3.29Å; G203-W205 PolarHBondContact O-N 2.89Å; W205-V207 VanDerWaalsContact C-N 3.28Å; W205-V207 PolarHBondContact O-N 2.62Å; W205-V209 HydrophobicContact CD2-CB 4.06Å; W205-V209 HydrophobicContact CD2-CG1 4.48Å; W205-V209 HydrophobicContact CD2-CG2 3.56Å; W205-V209 HydrophobicContact CE3-CG2 3.57Å; W205-V209 HydrophobicContact CG-CB 4.35Å; W205-V209 HydrophobicContact CG-CG2 4.12Å; W205-V209 HydrophobicContact CH2-CG1 4.28Å; W205-V209 HydrophobicContact CH2-CG2 4.08Å; W205-V209 HydrophobicContact CZ2-CB 4.27Å; W205-V209 HydrophobicContact CZ2-CG1 3.78Å; W205-V209 HydrophobicContact CZ2-CG2 4.1Å; W205-V209 HydrophobicContact CZ3-CG2 3.83Å; W205-V209 WeakPolarHBondContact O-CB 3.29Å; W205-V209 PolarHBondContact O-N 3.25Å; W205-V209 VanDerWaalsContact O-N 3.1Å
206T94Very high93.2Very high40 Ų4057 Ų5725%0.24531%0.307CS..Hα-helixtrans-65-33.6177.758.20000112.5K83 W84 F87 S202 G203 I204K83-T206 WeakPolarHBondContact CE-O 3.31Å; K83-T206 PolarHBondContact NZ-O 3.41Å; W84-T206 HydrophobicContact CH2-CG2 4.5Å; W84-T206 HydrophobicContact CZ3-CG2 3.86Å; F87-T206 HydrophobicContact CD2-CG2 3.23Å; F87-T206 HydrophobicContact CE2-CG2 3.29Å; F87-T206 HydrophobicContact CG-CG2 3.89Å; F87-T206 HydrophobicContact CZ-CG2 3.98Å; S202-T206 WeakPolarHBondContact O-CG2 3.41Å; S202-T206 PolarHBondContact O-N 2.9Å; S202-T206 VanDerWaalsContact O-N 3.13Å; G203-T206 PolarHBondContact O-N 2.84Å; G203-T206 PolarHBondContact O-OG1 2.86Å; I204-T206 PolarHBondContact O-N 3.11Å
207V93.4Very high92.8Very high84 Ų8456.3 Ų56.351%0.50931%0.308SS..Hα-helixtrans-83.6-42.2-178.2-179.80000112I204 W205 F210I204-V207 PolarHBondContact O-N 2.6Å; W205-V207 VanDerWaalsContact C-N 3.28Å; W205-V207 PolarHBondContact O-N 2.62Å; V207-F210 WeakPolarHBondContact O-CE2 3.34Å
208L93.6Very high92.5Very high99 Ų9961.2 Ų61.252%0.51832%0.323SS..Hα-helixtrans-94.1-26.9-169.8-61.9-173.4000114.8I204 W218I204-L208 HydrophobicContact CG2-CD1 3.49Å; I204-L208 VanDerWaalsContact CG2-CD1 3.49Å; I204-L208 HydrophobicContact CG2-CG 4.04Å; I204-L208 WeakPolarHBondContact O-CB 3.31Å; I204-L208 PolarHBondContact O-N 3.18Å; L208-W218 HydrophobicContact CD2-CZ3 4.4Å
209V94.2Very high92.3Very high30 Ų3062.5 Ų62.518%0.18233%0.328CS..  trans-97137.2-174.5-178.60000110.9K83 L132 W205K83-V209 WeakPolarHBondContact CD-O 3.3Å; K83-V209 WeakPolarHBondContact CE-O 3.48Å; K83-V209 HydrophobicContact CG-CG1 4.35Å; K83-V209 PolarHBondContact NZ-O 3.18Å; L132-V209 HydrophobicContact CD1-CG1 4.05Å; L132-V209 HydrophobicContact CD2-CG1 4.27Å; W205-V209 HydrophobicContact CD2-CB 4.06Å; W205-V209 HydrophobicContact CD2-CG1 4.48Å; W205-V209 HydrophobicContact CD2-CG2 3.56Å; W205-V209 HydrophobicContact CE3-CG2 3.57Å; W205-V209 HydrophobicContact CG-CB 4.35Å; W205-V209 HydrophobicContact CG-CG2 4.12Å; W205-V209 HydrophobicContact CH2-CG1 4.28Å; W205-V209 HydrophobicContact CH2-CG2 4.08Å; W205-V209 HydrophobicContact CZ2-CB 4.27Å; W205-V209 HydrophobicContact CZ2-CG1 3.78Å; W205-V209 HydrophobicContact CZ2-CG2 4.1Å; W205-V209 HydrophobicContact CZ3-CG2 3.83Å; W205-V209 WeakPolarHBondContact O-CB 3.29Å; W205-V209 PolarHBondContact O-N 3.25Å; W205-V209 VanDerWaalsContact O-N 3.1Å
210F93.6Very high92Very high36 Ų3662.8 Ų62.816%0.15833%0.332CS..  trans-129.3150.2176.3-65.5-98.7000109.9W136 V207 S212 Q215 H216 P217W136-F210 HydrophobicContact CZ2-CB 4.02Å; W136-F210 PolarHBondContact NE1-O 3.13Å; V207-F210 WeakPolarHBondContact O-CE2 3.34Å; F210-S212 VanDerWaalsContact C-N 3.31Å; F210-S212 PolarHBondContact O-N 3.16Å; F210-Q215 HydrophobicContact CD1-CB 4.34Å; F210-Q215 WeakPolarHBondContact CD1-O 3.43Å; F210-H216 HydrophobicContact CB-CB 4.48Å; F210-H216 HydrophobicContact CD2-CB 4.48Å; F210-H216 AromaticContact CD2-CD2 3.44Å; F210-H216 VanDerWaalsContact CD2-CD2 3.44Å; F210-H216 WeakPolarHBondContact CD2-CD2 3.36Å; F210-H216 AromaticContact CE2-CD2 3.94Å; F210-H216 HydrophobicContact CG-CB 4.44Å; F210-P217 HydrophobicContact CE1-CG 4.45Å; F210-P217 HydrophobicContact CE2-CG 4.35Å; F210-P217 HydrophobicContact CZ-CG 3.87Å
211N89.8Confident91.6Very high23 Ų2363.8 Ų63.812%0.12334%0.343CS..SBendtrans-68.4-31.4-175.2-74.9-45.4000112.8P82 K83 N135P82-N211 WeakPolarHBondContact CD-OD1 3.45Å; K83-N211 WeakPolarHBondContact CB-OD1 3.49Å; K83-N211 PolarHBondContact N-OD1 2.94Å; N135-N211 WeakPolarHBondContact CB-O 3.28Å; N135-N211 PolarHBondContact ND2-O 2.84Å
212S86.5Confident91.3Very high28 Ų2862 Ų6220%0.19635%0.346CS..SBendtrans-145.4154.8179.967.40000111.7F210 N214 Q215F210-S212 VanDerWaalsContact C-N 3.31Å; F210-S212 PolarHBondContact O-N 3.16Å; S212-N214 PolarHBondContact O-N 3.18Å; S212-N214 VanDerWaalsContact O-N 3.11Å; S212-Q215 PolarHBondContact O-N 3.38Å
213P87.4Confident91Very high3 Ų365.7 Ų65.72%0.01936%0.363CS..G310 helixtrans-55.4-26.9174-26.233.6000113.6N135 W136 Q215 H216 I219 I227N135-P213 VanDerWaalsContact O-CD 3.29Å; N135-P213 WeakPolarHBondContact O-CD 3.47Å; N135-P213 WeakPolarHBondContact O-CG 3.36Å; W136-P213 HydrophobicContact CD2-CG 4.15Å; W136-P213 HydrophobicContact CE3-CG 4.04Å; W136-P213 HydrophobicContact CH2-CB 4.49Å; W136-P213 HydrophobicContact CZ3-CB 4.37Å; W136-P213 HydrophobicContact CZ3-CG 4.26Å; P213-Q215 VanDerWaalsContact C-N 3.28Å; P213-Q215 PolarHBondContact O-N 3.44Å; P213-H216 PolarHBondContact O-N 3.17Å; P213-I219 HydrophobicContact CB-CD1 3.83Å; P213-I227 HydrophobicContact CG-CD1 4.17Å; P213-I227 HydrophobicContact CG-CG2 3.9Å
214N85.8Confident90.7Very high91 Ų9167.3 Ų67.349%0.48736%0.36SS..G310 helixtrans-65.5-30.1178.2-76.7-29.7000113.9S212 K224 L228S212-N214 PolarHBondContact O-N 3.18Å; S212-N214 VanDerWaalsContact O-N 3.11Å; N214-K224 WeakPolarHBondContact OD1-CE 3.32Å; N214-L228 VanDerWaalsContact OD1-CD1 3.27Å; N214-L228 WeakPolarHBondContact OD1-CD1 3.41Å
215Q86.6Confident90.2Very high111 Ų11170.3 Ų70.352%0.51937%0.372SS..G310 helixtrans-91.5-7-177.8-65.3175.8-14.600112.7F210 S212 P213F210-Q215 HydrophobicContact CD1-CB 4.34Å; F210-Q215 WeakPolarHBondContact CD1-O 3.43Å; S212-Q215 PolarHBondContact O-N 3.38Å; P213-Q215 VanDerWaalsContact C-N 3.28Å; P213-Q215 PolarHBondContact O-N 3.44Å
216H89.4Confident89.7Confident43 Ų4371.9 Ų71.920%0.19938%0.379CS..  trans-82124.7-173.9-171.3-83.7000111.2W136 F210 P213 W218 I219W136-H216 HydrophobicContact CH2-CB 3.6Å; W136-H216 AromaticContact CH2-CD2 3.52Å; W136-H216 AromaticContact CH2-CG 3.7Å; W136-H216 HydrophobicContact CZ2-CB 4.2Å; F210-H216 HydrophobicContact CB-CB 4.48Å; F210-H216 HydrophobicContact CD2-CB 4.48Å; F210-H216 AromaticContact CD2-CD2 3.44Å; F210-H216 VanDerWaalsContact CD2-CD2 3.44Å; F210-H216 WeakPolarHBondContact CD2-CD2 3.36Å; F210-H216 AromaticContact CE2-CD2 3.94Å; F210-H216 HydrophobicContact CG-CB 4.44Å; P213-H216 PolarHBondContact O-N 3.17Å; H216-W218 PolarHBondContact ND1-N 2.91Å; H216-W218 VanDerWaalsContact ND1-N 3.17Å; H216-I219 HydrophobicContact CB-CB 4.24Å; H216-I219 HydrophobicContact CB-CG2 4.13Å; H216-I219 PolarHBondContact ND1-N 3.39Å; H216-I219 WeakPolarHBondContact O-CG2 3.27Å
217P89.1Confident89.2Confident81 Ų8170.2 Ų70.253%0.52637%0.368SS..THydrogen-bonded Turntrans-75.1-27.1-172.927.9-34.1000113.9F210F210-P217 HydrophobicContact CE1-CG 4.45Å; F210-P217 HydrophobicContact CE2-CG 4.35Å; F210-P217 HydrophobicContact CZ-CG 3.87Å
218W90Very high88.7Confident174 Ų17469.1 Ų69.166%0.65936%0.359SS*.THydrogen-bonded Turntrans-109.713.6-172.4-49.9-59.2000114.4L208 H216L208-W218 HydrophobicContact CD2-CZ3 4.4Å; H216-W218 PolarHBondContact ND1-N 2.91Å; H216-W218 VanDerWaalsContact ND1-N 3.17Å
219I90.7Very high88Confident33 Ų3366.7 Ų66.717%0.16935%0.351CS..  trans-78.8135.5-179.7-168.7171.9000109.2W136 P213 H216 E223 K224 I227W136-I219 HydrophobicContact CZ3-CD1 4.18Å; P213-I219 HydrophobicContact CB-CD1 3.83Å; H216-I219 HydrophobicContact CB-CB 4.24Å; H216-I219 HydrophobicContact CB-CG2 4.13Å; H216-I219 PolarHBondContact ND1-N 3.39Å; H216-I219 WeakPolarHBondContact O-CG2 3.27Å; I219-E223 HydrophobicContact CD1-CG 4.24Å; I219-E223 HydrophobicContact CG1-CB 4.19Å; I219-E223 HydrophobicContact CG1-CG 4.24Å; I219-K224 HydrophobicContact CD1-CB 3.99Å; I219-K224 HydrophobicContact CG1-CB 4.22Å; I219-K224 HydrophobicContact CG2-CB 4.12Å; I219-K224 HydrophobicContact CG2-CD 4.15Å; I219-K224 HydrophobicContact CG2-CG 4.48Å; I219-I227 HydrophobicContact CD1-CD1 4.2Å
220S91.1Very high87.1Confident61 Ų6166.3 Ų66.343%0.42735%0.349SS..  trans-67.3146.3175.566.30000110.6S222 E223 K224S220-S222 PolarHBondContact O-N 3.19Å; S220-S222 PolarHBondContact OG-OG 2.86Å; S220-E223 PolarHBondContact O-N 2.83Å; S220-E223 WeakPolarHBondContact OG-CB 3.23Å; S220-E223 PolarHBondContact OG-N 3.17Å; S220-K224 WeakPolarHBondContact O-CB 3.35Å; S220-K224 PolarHBondContact O-N 3.37Å
221S88.1Confident85.7Confident102 Ų10266.6 Ų66.671%0.71336%0.355SS*.Hα-helixtrans-60.2-35.6179.9-55.20000112.4Q225S221-Q225 VanDerWaalsContact O-CB 3.31Å; S221-Q225 WeakPolarHBondContact O-CB 3.21Å; S221-Q225 PolarHBondContact O-N 2.75Å
222S89.3Confident84.1Confident87 Ų8769.6 Ų69.661%0.60837%0.374SS*.Hα-helixtrans-64.9-46.1176.552.10000112.2S220 Q225 Y226S220-S222 PolarHBondContact O-N 3.19Å; S220-S222 PolarHBondContact OG-OG 2.86Å; S222-Q225 PolarHBondContact O-N 2.88Å; S222-Y226 WeakPolarHBondContact O-CB 3.35Å; S222-Y226 PolarHBondContact O-N 3.43Å
223E90.5Very high81.9Confident81 Ų8173.5 Ų73.538%0.37939%0.389SS..Hα-helixtrans-67.6-44.7179-175.959.6-156.400111.3I219 S220 Q225 Y226 I227I219-E223 HydrophobicContact CD1-CG 4.24Å; I219-E223 HydrophobicContact CG1-CB 4.19Å; I219-E223 HydrophobicContact CG1-CG 4.24Å; S220-E223 PolarHBondContact O-N 2.83Å; S220-E223 WeakPolarHBondContact OG-CB 3.23Å; S220-E223 PolarHBondContact OG-N 3.17Å; E223-Q225 VanDerWaalsContact C-N 3.3Å; E223-Q225 PolarHBondContact O-N 2.97Å; E223-Y226 WeakPolarHBondContact O-CB 3.16Å; E223-Y226 PolarHBondContact O-N 3.48Å; E223-Y226 VanDerWaalsContact O-N 3.12Å; E223-I227 HydrophobicContact CG-CD1 4.05Å; E223-I227 WeakPolarHBondContact O-CG1 3.42Å; E223-I227 PolarHBondContact O-N 3.45Å
224K88Confident79.8Confident69 Ų6976.4 Ų76.430%0.340%0.404SS..Hα-helixtrans-56.7-46.2175.7-178.3175.6176.4172.40111.2N214 I219 S220 L228N214-K224 WeakPolarHBondContact OD1-CE 3.32Å; I219-K224 HydrophobicContact CD1-CB 3.99Å; I219-K224 HydrophobicContact CG1-CB 4.22Å; I219-K224 HydrophobicContact CG2-CB 4.12Å; I219-K224 HydrophobicContact CG2-CD 4.15Å; I219-K224 HydrophobicContact CG2-CG 4.48Å; S220-K224 WeakPolarHBondContact O-CB 3.35Å; S220-K224 PolarHBondContact O-N 3.37Å; K224-L228 HydrophobicContact CG-CD1 3.84Å; K224-L228 WeakPolarHBondContact O-CB 3.39Å; K224-L228 VanDerWaalsContact O-CG 3.22Å; K224-L228 WeakPolarHBondContact O-CG 2.95Å; K224-L228 PolarHBondContact O-N 3.39Å; K224-L228 VanDerWaalsContact O-N 3.11Å
225Q86.3Confident77.6Confident139 Ų13976.1 Ų76.165%0.6540%0.403SS*.Hα-helixtrans-66.4-38.7177.3-171175.41.100111.4S221 S222 E223 S229S221-Q225 VanDerWaalsContact O-CB 3.31Å; S221-Q225 WeakPolarHBondContact O-CB 3.21Å; S221-Q225 PolarHBondContact O-N 2.75Å; S222-Q225 PolarHBondContact O-N 2.88Å; E223-Q225 VanDerWaalsContact C-N 3.3Å; E223-Q225 PolarHBondContact O-N 2.97Å; Q225-S229 WeakPolarHBondContact O-CA 3.16Å; Q225-S229 WeakPolarHBondContact O-CB 3.37Å; Q225-S229 PolarHBondContact O-N 3.41Å; Q225-S229 PolarHBondContact O-OG 2.97Å
226Y86.4Confident75Confident95 Ų9573.1 Ų73.137%0.37339%0.394SS..Hα-helixtrans-60.8-49.7176.4178.3-115.2000112.3P138 S222 E223 L228 S229 T230P138-Y226 HydrophobicContact CB-CE1 4.08Å; P138-Y226 HydrophobicContact CG-CD1 4.03Å; P138-Y226 HydrophobicContact CG-CE1 3.55Å; S222-Y226 WeakPolarHBondContact O-CB 3.35Å; S222-Y226 PolarHBondContact O-N 3.43Å; E223-Y226 WeakPolarHBondContact O-CB 3.16Å; E223-Y226 PolarHBondContact O-N 3.48Å; E223-Y226 VanDerWaalsContact O-N 3.12Å; Y226-L228 PolarHBondContact O-N 3.27Å; Y226-S229 PolarHBondContact O-OG 3.03Å; Y226-T230 HydrophobicContact CD2-CG2 3.78Å; Y226-T230 HydrophobicContact CE2-CG2 3.53Å; Y226-T230 WeakPolarHBondContact O-CB 3.15Å; Y226-T230 VanDerWaalsContact O-CG2 3.24Å; Y226-T230 WeakPolarHBondContact O-CG2 3.35Å; Y226-T230 PolarHBondContact O-N 3.48Å; Y226-T230 PolarHBondContact O-OG1 2.89Å
227I84.1Confident72.3Confident4 Ų476.2 Ų76.22%0.02141%0.408CS..Hα-helixtrans-63.1-46.2179.8-62167.6000111.1P138 P213 I219 E223 T230 S231P138-I227 HydrophobicContact CG-CG1 4.25Å; P213-I227 HydrophobicContact CG-CD1 4.17Å; P213-I227 HydrophobicContact CG-CG2 3.9Å; I219-I227 HydrophobicContact CD1-CD1 4.2Å; E223-I227 HydrophobicContact CG-CD1 4.05Å; E223-I227 WeakPolarHBondContact O-CG1 3.42Å; E223-I227 PolarHBondContact O-N 3.45Å; I227-T230 PolarHBondContact O-OG1 3.39Å; I227-S231 WeakPolarHBondContact O-CB 3.47Å; I227-S231 PolarHBondContact O-N 3.24Å; I227-S231 PolarHBondContact O-OG 2.92Å
228L83.1Confident69.9Low62 Ų6276.4 Ų76.433%0.32541%0.405SS..Hα-helixtrans-71.1-45.1-177.9-65.2172000112N214 K224 Y226 S231 V232N214-L228 VanDerWaalsContact OD1-CD1 3.27Å; N214-L228 WeakPolarHBondContact OD1-CD1 3.41Å; K224-L228 HydrophobicContact CG-CD1 3.84Å; K224-L228 WeakPolarHBondContact O-CB 3.39Å; K224-L228 VanDerWaalsContact O-CG 3.22Å; K224-L228 WeakPolarHBondContact O-CG 2.95Å; K224-L228 PolarHBondContact O-N 3.39Å; K224-L228 VanDerWaalsContact O-N 3.11Å; Y226-L228 PolarHBondContact O-N 3.27Å; L228-S231 PolarHBondContact O-N 3.24Å; L228-V232 WeakPolarHBondContact O-CG2 3.44Å; L228-V232 PolarHBondContact O-N 3.25Å
229S79.1Confident67.4Low48 Ų4872.6 Ų72.634%0.33640%0.398SS..Hα-helixtrans-66.3-41.6179.864.40000111.4Q225 Y226 S231 V232 H233Q225-S229 WeakPolarHBondContact O-CA 3.16Å; Q225-S229 WeakPolarHBondContact O-CB 3.37Å; Q225-S229 PolarHBondContact O-N 3.41Å; Q225-S229 PolarHBondContact O-OG 2.97Å; Y226-S229 PolarHBondContact O-OG 3.03Å; S229-S231 VanDerWaalsContact C-N 3.28Å; S229-S231 PolarHBondContact O-N 3.24Å; S229-V232 CarbonylContact O-C 3.49Å; S229-V232 WeakPolarHBondContact O-CA 3.32Å; S229-V232 PolarHBondContact O-N 3.05Å; S229-H233 WeakPolarHBondContact O-CB 3.22Å; S229-H233 PolarHBondContact O-N 2.91Å
230T73.6Confident64.5Low22 Ų2277 Ų7714%0.13542%0.421CS..Hα-helixtrans-69-27.3177.755.10000113.3Y226 I227 V232 N234Y226-T230 HydrophobicContact CD2-CG2 3.78Å; Y226-T230 HydrophobicContact CE2-CG2 3.53Å; Y226-T230 WeakPolarHBondContact O-CB 3.15Å; Y226-T230 VanDerWaalsContact O-CG2 3.24Å; Y226-T230 WeakPolarHBondContact O-CG2 3.35Å; Y226-T230 PolarHBondContact O-N 3.48Å; Y226-T230 PolarHBondContact O-OG1 2.89Å; I227-T230 PolarHBondContact O-OG1 3.39Å; T230-V232 VanDerWaalsContact C-N 3.26Å; T230-N234 WeakPolarHBondContact O-CB 3.47Å; T230-N234 PolarHBondContact O-N 3.24Å; T230-N234 PolarHBondContact O-ND2 3.39Å
231S65.2Low61.6Low42 Ų4281.5 Ų81.529%0.29443%0.433SS..Hα-helixtrans-70.4-23.2170.5-590000112.5I227 L228 S229 N235I227-S231 WeakPolarHBondContact O-CB 3.47Å; I227-S231 PolarHBondContact O-N 3.24Å; I227-S231 PolarHBondContact O-OG 2.92Å; L228-S231 PolarHBondContact O-N 3.24Å; S229-S231 VanDerWaalsContact C-N 3.28Å; S229-S231 PolarHBondContact O-N 3.24Å; S231-N235 PolarHBondContact O-ND2 3.01Å; S231-N235 PolarHBondContact O-OD1 3.12Å
232V55.2Low59.1Low85 Ų8579.6 Ų79.652%0.51542%0.42SS..Hα-helixtrans-100-40.5178.8178.40000113.3L228 S229 T230 N235 S236L228-V232 WeakPolarHBondContact O-CG2 3.44Å; L228-V232 PolarHBondContact O-N 3.25Å; S229-V232 CarbonylContact O-C 3.49Å; S229-V232 WeakPolarHBondContact O-CA 3.32Å; S229-V232 PolarHBondContact O-N 3.05Å; T230-V232 VanDerWaalsContact C-N 3.26Å; V232-N235 WeakPolarHBondContact CA-ND2 3.2Å; V232-N235 VanDerWaalsContact O-CA 3.3Å; V232-N235 WeakPolarHBondContact O-CA 3.14Å; V232-N235 WeakPolarHBondContact O-CB 3.41Å; V232-N235 PolarHBondContact O-N 3.26Å; V232-N235 PolarHBondContact O-ND2 3.26Å; V232-S236 PolarHBondContact O-OG 3.31Å
233H41.2Very low56.3Low110 Ų11077.8 Ų77.851%0.50942%0.415SS..Hα-helixtrans-73.3-28.1-177.8-108.223.9000113S229 N235 S236 E237S229-H233 WeakPolarHBondContact O-CB 3.22Å; S229-H233 PolarHBondContact O-N 2.91Å; H233-N235 PolarHBondContact O-N 3.32Å; H233-N235 VanDerWaalsContact O-N 3.16Å; H233-S236 WeakPolarHBondContact CA-OG 3.42Å; H233-S236 PolarHBondContact O-N 3.19Å; H233-E237 PolarHBondContact O-N 3.46Å
234N42Very low53.1Low65 Ų6584 Ų8435%0.34844%0.435SS..THydrogen-bonded Turntrans-62.2-16.4164-85.5-54.7000112.7T230 N238T230-N234 WeakPolarHBondContact O-CB 3.47Å; T230-N234 PolarHBondContact O-N 3.24Å; T230-N234 PolarHBondContact O-ND2 3.39Å; N234-N238 PolarHBondContact O-ND2 3.39Å; N234-N238 VanDerWaalsContact O-ND2 3.07Å
235N40.2Very low50Low85 Ų8589.4 Ų89.446%0.45546%0.464SS..THydrogen-bonded Turntrans-84.8-13.5172.3-46.6-32.2000113.2S231 V232 H233 D239S231-N235 PolarHBondContact O-ND2 3.01Å; S231-N235 PolarHBondContact O-OD1 3.12Å; V232-N235 WeakPolarHBondContact CA-ND2 3.2Å; V232-N235 VanDerWaalsContact O-CA 3.3Å; V232-N235 WeakPolarHBondContact O-CA 3.14Å; V232-N235 WeakPolarHBondContact O-CB 3.41Å; V232-N235 PolarHBondContact O-N 3.26Å; V232-N235 PolarHBondContact O-ND2 3.26Å; H233-N235 PolarHBondContact O-N 3.32Å; H233-N235 VanDerWaalsContact O-N 3.16Å; N235-D239 VanDerWaalsContact O-OD2 3.06Å
236S32.9Very low47.1Very low47 Ų4788.4 Ų88.433%0.32947%0.467SS..THydrogen-bonded Turntrans-120.2-34.6-174.920.60000114.1V232 H233 N238 D239V232-S236 PolarHBondContact O-OG 3.31Å; H233-S236 WeakPolarHBondContact CA-OG 3.42Å; H233-S236 PolarHBondContact O-N 3.19Å; S236-N238 VanDerWaalsContact C-N 3.34Å; S236-N238 PolarHBondContact O-N 2.9Å; S236-D239 WeakPolarHBondContact O-CB 3.1Å; S236-D239 PolarHBondContact O-N 2.92Å
237E33Very low44.2Very low108 Ų10889 Ų8951%0.50549%0.485SS..Hα-helixtrans-72.1-27176.1-77.5-167.5150.500113.3H233 D239 N240 K241H233-E237 PolarHBondContact O-N 3.46Å; E237-D239 VanDerWaalsContact C-N 3.32Å; E237-N240 PolarHBondContact O-N 3.09Å; E237-K241 PolarHBondContact O-N 3.43Å
238N38.8Very low41.4Very low86 Ų8695.4 Ų95.446%0.4652%0.519SS..Hα-helixtrans-76.7-20.3175-73.4-39.1000112.8N234 S236 N240 S242N234-N238 PolarHBondContact O-ND2 3.39Å; N234-N238 VanDerWaalsContact O-ND2 3.07Å; S236-N238 VanDerWaalsContact C-N 3.34Å; S236-N238 PolarHBondContact O-N 2.9Å; N238-N240 VanDerWaalsContact C-N 3.33Å; N238-S242 WeakPolarHBondContact O-CB 3.42Å; N238-S242 PolarHBondContact O-N 3.17Å; N238-S242 VanDerWaalsContact O-N 3.16Å
239D36.4Very low38.6Very low94 Ų94101.4 Ų101.450%0.50355%0.548SS..Hα-helixtrans-67.7-36169.3-69.6-22000110.9N235 S236 E237N235-D239 VanDerWaalsContact O-OD2 3.06Å; S236-D239 WeakPolarHBondContact O-CB 3.1Å; S236-D239 PolarHBondContact O-N 2.92Å; E237-D239 VanDerWaalsContact C-N 3.32Å
240N30.3Very low36.3Very low125 Ų125105.7 Ų105.767%0.66857%0.572SS**Hα-helixtrans-77-34.6178-72.6-19000113.5E237 N238 G243E237-N240 PolarHBondContact O-N 3.09Å; N238-N240 VanDerWaalsContact C-N 3.33Å; N240-G243 PolarHBondContact O-N 2.82Å
241K30Very low34Very low156 Ų156111.3 Ų111.368%0.67860%0.601SS**Hα-helixtrans-77.3-31.2178.7-73.9-179.6-177.9169.10113.3E237 G243 R244E237-K241 PolarHBondContact O-N 3.43Å; K241-G243 PolarHBondContact O-N 3.38Å; K241-R244 PolarHBondContact O-N 3.44Å
242S35.4Very low32.6Very low62 Ų62115.4 Ų115.443%0.43463%0.626SS.*THydrogen-bonded Turntrans-63.6-20.8169.6-178.40000112.5N238N238-S242 WeakPolarHBondContact O-CB 3.42Å; N238-S242 PolarHBondContact O-N 3.17Å; N238-S242 VanDerWaalsContact O-N 3.16Å
243G30.1Very low31.4Very low49 Ų49116.4 Ų116.451%0.50564%0.635SS.*THydrogen-bonded Turntrans-92.3-7176.700000116.3N240 K241 M245N240-G243 PolarHBondContact O-N 2.82Å; K241-G243 PolarHBondContact O-N 3.38Å; G243-M245 PolarHBondContact O-N 2.82Å
244R23.2Very low30.7Very low212 Ų212118.2 Ų118.280%0.865%0.648SS**  trans-95.828-170-149.4176.3-179.81710.4115.5K241K241-R244 PolarHBondContact O-N 3.44Å
245M24.6Very low30.4Very low182 Ų182121.2 Ų121.290%0.89767%0.674SS**SBendtrans-108.566.1164.4-81.2-170.6175.700110.5G243G243-M245 PolarHBondContact O-N 2.82Å
246T24.7Very low29.8Very low118 Ų118128.7 Ų128.772%0.72470%0.696SS**  trans-172.281.514648.40000105.8D248T246-D248 PolarHBondContact O-N 3.48Å
247S24.5Very low29.5Very low106 Ų106130.3 Ų130.374%0.74171%0.708SS**  trans-92.665.1159.8178.30000106.7
248D25.9Very low29.4Very low140 Ų140132.9 Ų132.975%0.74972%0.724SS**  trans-75.2127.4160.3-77.7-28.2000107.4T246 V250T246-D248 PolarHBondContact O-N 3.48Å; D248-V250 PolarHBondContact O-N 2.65Å
249M24.4Very low29Very low187 Ų187136.2 Ų136.292%0.92174%0.742SS**  trans-54.1113.8-178-60.8172.8175.200110.5
250V29.9Very low28.6Very low139 Ų139138.2 Ų138.284%0.84275%0.752SS**  trans-131.7121.5159.7-178.10000108.4D248D248-V250 PolarHBondContact O-N 2.65Å
251N27.1Very low28.6Very low140 Ų140138.6 Ų138.675%0.74975%0.753SS**  trans-53.2154.3-178.3-67.2-50.4000113.2P253N251-P253 WeakPolarHBondContact O-CD 3.41Å
252P34Very low28.8Very low127 Ų127134.1 Ų134.183%0.82574%0.742SS**  trans-82.7134.7-177.833.1-30.6000111.1
253P31Very low29Very low107 Ų107136.6 Ų136.670%0.69575%0.754SS**  trans-127.7134.7144.531.5-17000112.4N251N251-P253 WeakPolarHBondContact O-CD 3.41Å
254D27.4Very low29.6Very low148 Ų148138 Ų13879%0.79175%0.747SS**  trans60.5117.3148.3-60.2-29.5000121.1R256D254-R256 PolarHBondContact O-N 3.05Å
255S34.1Very low30.5Very low127 Ų127131.4 Ų131.489%0.88873%0.731SS**SBendtrans-71.147-177.358.50000115.1
256R28.4Very low31.6Very low242 Ų242125.6 Ų125.691%0.91370%0.7SS**  trans-131.619.5179.3-83.4-169.4178.6176.81116.8D254D254-R256 PolarHBondContact O-N 3.05Å
257S27.5Very low32.7Very low82 Ų82123 Ų12357%0.57368%0.684SS**  trans-14074.6171.864.20000112.6
258L31Very low34.1Very low161 Ų161120.5 Ų120.584%0.84366%0.662SS**THydrogen-bonded Turntrans-76.6-3.5163.8-97.7145.4000112.7
259D30.1Very low35.2Very low157 Ų157121.1 Ų121.184%0.8466%0.655SS**THydrogen-bonded Turntrans-94.1-0.6-175.5-70.3-24.9000115.4
260N27Very low36.6Very low135 Ų135116.1 Ų116.172%0.72263%0.628SS**  trans-110.812.6-176.8-84-5.9000115.6S262N260-S262 PolarHBondContact O-N 3.41Å
261I30.2Very low38.4Very low133 Ų133113.4 Ų113.468%0.68261%0.609SS**  trans-78.481.6164.4-53.4177.6000107V263I261-V263 VanDerWaalsContact C-N 3.31Å; I261-V263 PolarHBondContact O-N 2.81Å
262S35.2Very low40.7Very low63 Ų63112.1 Ų112.144%0.44161%0.608SS.*  trans-55.8100.5162.153.90000107.2N260 E264N260-S262 PolarHBondContact O-N 3.41Å; S262-E264 VanDerWaalsContact C-N 3.33Å; S262-E264 PolarHBondContact O-N 2.66Å
263V39.1Very low42.9Very low113 Ų113108 Ų10869%0.68558%0.581SS**  trans-60.9102.3169.1178.30000105.8I261 T265I261-V263 VanDerWaalsContact C-N 3.31Å; I261-V263 PolarHBondContact O-N 2.81Å; V263-T265 VanDerWaalsContact C-N 3.3Å; V263-T265 PolarHBondContact O-N 3.01Å
264E42Very low45.5Very low78 Ų78104.1 Ų104.136%0.36456%0.556SS.*  trans-61.495.5168.8-87.5172-156.400108.1S262 K266 K486S262-E264 VanDerWaalsContact C-N 3.33Å; S262-E264 PolarHBondContact O-N 2.66Å; E264-K266 VanDerWaalsContact C-N 3.32Å; E264-K266 PolarHBondContact O-N 3.46Å; E264-K486 HydrophobicContact CG-CD 4.41Å; E264-K486 HydrophobicContact CG-CG 4.15Å; E264-K486 WeakPolarHBondContact OE1-CE 3.31Å; E264-K486 IonicContact OE1-NZ 2.85Å; E264-K486 PolarHBondContact OE1-NZ 3.41Å; E264-K486 WeakPolarHBondContact OE2-CD 3.25Å; E264-K486 WeakPolarHBondContact OE2-CE 3.43Å; E264-K486 IonicContact OE2-NZ 3.28Å; E264-K486 PolarHBondContact OE2-NZ 3.47Å
265T42.8Very low48.5Very low75 Ų75102.8 Ų102.846%0.4654%0.539SS..  trans-69.993.7171.3-44.90000108V263 V267 T487V263-T265 VanDerWaalsContact C-N 3.3Å; V263-T265 PolarHBondContact O-N 3.01Å; T265-V267 HydrophobicContact CG2-CG2 4.25Å; T265-V267 PolarHBondContact O-N 3.11Å; T265-V267 VanDerWaalsContact O-N 3.1Å; T265-T487 PolarHBondContact O-OG1 3.29Å; T265-T487 VanDerWaalsContact O-OG1 3.11Å
266K48.1Very low51.1Low60 Ų6099 Ų9926%0.26152%0.521SS..EExtended strand (participates in β ladder)trans-73.198.5169.3-74.5-178.7-178.2172.90108.2E264 L268 Y484 I485E264-K266 VanDerWaalsContact C-N 3.32Å; E264-K266 PolarHBondContact O-N 3.46Å; K266-L268 PolarHBondContact O-N 2.85Å; K266-Y484 HydrophobicContact CB-CD1 4.09Å; K266-Y484 HydrophobicContact CD-CD1 4.12Å; K266-Y484 HydrophobicContact CD-CG 4.42Å; K266-I485 WeakPolarHBondContact CA-O 3.32Å
267V48Very low54Low63 Ų6392.3 Ų92.338%0.38250%0.5SS..EExtended strand (participates in β ladder)trans-74.5121.9175.6-178.20000108.7T265 Y269 I485T265-V267 HydrophobicContact CG2-CG2 4.25Å; T265-V267 PolarHBondContact O-N 3.11Å; T265-V267 VanDerWaalsContact O-N 3.1Å; V267-Y269 HydrophobicContact CG1-CD2 4.17Å; V267-Y269 HydrophobicContact CG1-CE2 4.27Å; V267-I485 PolarHBondContact N-O 3.39Å; V267-I485 PolarHBondContact O-N 2.74Å
268L52.7Low57Low54 Ų5488.5 Ų88.528%0.28347%0.473SS..EExtended strand (participates in β ladder)trans-83.5111.2176.8-159.780.7000110.5K266 L482 Y484K266-L268 PolarHBondContact O-N 2.85Å; L268-L482 HydrophobicContact CD1-CB 4.04Å; L268-L482 HydrophobicContact CD1-CD1 3.53Å; L268-L482 HydrophobicContact CD1-CD2 3.78Å; L268-L482 HydrophobicContact CD1-CG 3.95Å; L268-L482 HydrophobicContact CD2-CD1 3.92Å; L268-L482 HydrophobicContact CD2-CD2 3.77Å; L268-L482 HydrophobicContact CD2-CG 4.46Å; L268-L482 HydrophobicContact CG-CD1 4.18Å; L268-L482 HydrophobicContact CG-CD2 3.75Å; L268-L482 HydrophobicContact CG-CG 4.45Å; L268-Y484 HydrophobicContact CD1-CD1 3.79Å; L268-Y484 HydrophobicContact CD1-CE1 3.39Å
269Y49Very low59.9Low152 Ų15285.5 Ų85.560%0.59645%0.454SS*.EExtended strand (participates in β ladder)trans-94117.5171.1-105.3-90.6000110.8V267 N271 I485V267-Y269 HydrophobicContact CG1-CD2 4.17Å; V267-Y269 HydrophobicContact CG1-CE2 4.27Å; Y269-N271 PolarHBondContact O-N 3.03Å; Y269-I485 HydrophobicContact CD2-CD1 4.13Å
270K54.9Low63Low82 Ų8286.9 Ų86.936%0.35745%0.452SS..  trans-83.4110166.5-174.9175.5179.9176.20108.1I413K270-I413 HydrophobicContact CD-CG2 4.21Å; K270-I413 HydrophobicContact CG-CG2 4.3Å
271N66.7Low66.2Low83 Ų8380.9 Ų80.944%0.44442%0.421SS..PPolyproline II helixtrans-58.6147.7170.8-79-17.9000110.2Y269 Y414Y269-N271 PolarHBondContact O-N 3.03Å; N271-Y414 PolarHBondContact O-OH 2.82Å
272P75.1Confident69.3Low112 Ų11276.7 Ų76.773%0.72741%0.406SS*.PPolyproline II helixtrans-51.3149.2169.225.2-34.6000109.4P274P272-P274 VanDerWaalsContact O-CD 3.3Å; P272-P274 WeakPolarHBondContact O-CD 3.19Å; P272-P274 VanDerWaalsContact O-N 3.07Å
273V80Confident72.2Confident41 Ų4174.3 Ų74.325%0.24839%0.389CS..PPolyproline II helixtrans-56.1119-173.4-177.10000109.6W275 I278 Y414 N417V273-W275 HydrophobicContact CB-CD2 4.43Å; V273-W275 HydrophobicContact CB-CZ2 4.26Å; V273-W275 HydrophobicContact CG1-CD2 3.78Å; V273-W275 HydrophobicContact CG1-CE3 4.11Å; V273-W275 HydrophobicContact CG1-CG 4.28Å; V273-W275 HydrophobicContact CG1-CH2 4.15Å; V273-W275 HydrophobicContact CG1-CZ2 3.83Å; V273-W275 HydrophobicContact CG1-CZ3 4.27Å; V273-W275 PolarHBondContact O-N 3.42Å; V273-I278 HydrophobicContact CG1-CD1 3.65Å; V273-Y414 HydrophobicContact CB-CE1 4.49Å; V273-Y414 HydrophobicContact CG1-CD1 4.3Å; V273-Y414 HydrophobicContact CG2-CD1 4.37Å; V273-Y414 HydrophobicContact CG2-CE1 4.29Å; V273-N417 VanDerWaalsContact CG1-ND2 3.26Å; V273-N417 WeakPolarHBondContact CG1-ND2 3.39Å; V273-N417 WeakPolarHBondContact CG2-ND2 3.35Å
274P87Confident74.9Confident26 Ų2669.3 Ų69.317%0.16936%0.359CS..  trans-80.965.7-173.533.1-36.4000110.8P272 G276 Q277 I278 Y414 W479P272-P274 VanDerWaalsContact O-CD 3.3Å; P272-P274 WeakPolarHBondContact O-CD 3.19Å; P272-P274 VanDerWaalsContact O-N 3.07Å; P274-G276 VanDerWaalsContact C-N 3.27Å; P274-G276 PolarHBondContact O-N 3.45Å; P274-G276 VanDerWaalsContact O-N 3.17Å; P274-Q277 HydrophobicContact CB-CB 4.25Å; P274-Q277 PolarHBondContact O-N 3.49Å; P274-I278 HydrophobicContact CG-CG1 4.46Å; P274-I278 WeakPolarHBondContact O-CG1 3.29Å; P274-I278 PolarHBondContact O-N 3.47Å; P274-Y414 VanDerWaalsContact CD-CZ 3.49Å; P274-Y414 HydrophobicContact CG-CE2 4.09Å; P274-W479 HydrophobicContact CG-CE3 3.95Å
275W89.8Confident77.5Confident119 Ų11971.2 Ų71.245%0.45136%0.363SS..Hα-helixtrans-50.1-45.2-174.3-68.5115.7000113.1V273 Q277 I278 F279 N417 V421V273-W275 HydrophobicContact CB-CD2 4.43Å; V273-W275 HydrophobicContact CB-CZ2 4.26Å; V273-W275 HydrophobicContact CG1-CD2 3.78Å; V273-W275 HydrophobicContact CG1-CE3 4.11Å; V273-W275 HydrophobicContact CG1-CG 4.28Å; V273-W275 HydrophobicContact CG1-CH2 4.15Å; V273-W275 HydrophobicContact CG1-CZ2 3.83Å; V273-W275 HydrophobicContact CG1-CZ3 4.27Å; V273-W275 PolarHBondContact O-N 3.42Å; W275-Q277 VanDerWaalsContact C-N 3.25Å; W275-Q277 PolarHBondContact O-N 3.48Å; W275-I278 HydrophobicContact CE3-CD1 4.31Å; W275-I278 PolarHBondContact O-N 3.02Å; W275-F279 HydrophobicContact CB-CD2 4.43Å; W275-F279 HydrophobicContact CB-CE2 4.41Å; W275-F279 AromaticContact CE3-CE2 3.87Å; W275-F279 HydrophobicContact CE3-CE2 3.87Å; W275-F279 HydrophobicContact CE3-CZ 4.41Å; W275-F279 WeakPolarHBondContact O-CD2 3.46Å; W275-F279 PolarHBondContact O-N 3.48Å; W275-N417 HydrophobicContact CH2-CB 4.23Å; W275-V421 HydrophobicContact CH2-CG2 4.28Å; W275-V421 HydrophobicContact CZ3-CG2 3.76Å
276G88.9Confident80.1Confident49 Ų4967.7 Ų67.751%0.50534%0.341SS..Hα-helixtrans-60.6-31.8178.700000113.9P274 K280P274-G276 VanDerWaalsContact C-N 3.27Å; P274-G276 PolarHBondContact O-N 3.45Å; P274-G276 VanDerWaalsContact O-N 3.17Å; G276-K280 WeakPolarHBondContact O-CB 3.36Å; G276-K280 WeakPolarHBondContact O-CD 3.5Å; G276-K280 WeakPolarHBondContact O-CG 3.3Å; G276-K280 PolarHBondContact O-N 2.92Å
277Q89.2Confident82.4Confident100 Ų10065 Ų6547%0.46733%0.329SS..Hα-helixtrans-83.5-36.1177.5-66.4172.5-1200111.6P274 W275 K280 S281 W479P274-Q277 HydrophobicContact CB-CB 4.25Å; P274-Q277 PolarHBondContact O-N 3.49Å; W275-Q277 VanDerWaalsContact C-N 3.25Å; W275-Q277 PolarHBondContact O-N 3.48Å; Q277-K280 PolarHBondContact O-N 2.84Å; Q277-S281 WeakPolarHBondContact O-CB 3.11Å; Q277-S281 PolarHBondContact O-N 2.94Å; Q277-W479 HydrophobicContact CB-CB 4.39Å; Q277-W479 HydrophobicContact CB-CG 4.08Å
278I90.3Very high84.7Confident2 Ų263.3 Ų63.31%0.0132%0.318CS..Hα-helixtrans-57.9-49.9173.4-65174.7000109.8V273 P274 W275 K280 S281 V284 I418 W479V273-I278 HydrophobicContact CG1-CD1 3.65Å; P274-I278 HydrophobicContact CG-CG1 4.46Å; P274-I278 WeakPolarHBondContact O-CG1 3.29Å; P274-I278 PolarHBondContact O-N 3.47Å; W275-I278 HydrophobicContact CE3-CD1 4.31Å; W275-I278 PolarHBondContact O-N 3.02Å; I278-K280 VanDerWaalsContact C-N 3.3Å; I278-K280 PolarHBondContact O-N 3.26Å; I278-S281 WeakPolarHBondContact O-CB 3.26Å; I278-S281 PolarHBondContact O-N 3.22Å; I278-V284 HydrophobicContact CG2-CG1 3.92Å; I278-V284 HydrophobicContact CG2-CG2 4.4Å; I278-I418 HydrophobicContact CG2-CG1 4.31Å; I278-W479 HydrophobicContact CG1-CE3 4.49Å; I278-W479 HydrophobicContact CG1-CH2 3.94Å; I278-W479 HydrophobicContact CG1-CZ2 4.47Å; I278-W479 HydrophobicContact CG1-CZ3 3.94Å
279F92.8Very high86.8Confident99 Ų9962.1 Ų62.143%0.43431%0.312SS..Hα-helixtrans-73.7-16.8179.9-70.7-64000114.4W275 W285 V421W275-F279 HydrophobicContact CB-CD2 4.43Å; W275-F279 HydrophobicContact CB-CE2 4.41Å; W275-F279 AromaticContact CE3-CE2 3.87Å; W275-F279 HydrophobicContact CE3-CE2 3.87Å; W275-F279 HydrophobicContact CE3-CZ 4.41Å; W275-F279 WeakPolarHBondContact O-CD2 3.46Å; W275-F279 PolarHBondContact O-N 3.48Å; F279-W285 PolarHBondContact O-NE1 2.89Å; F279-V421 HydrophobicContact CE1-CG1 3.9Å; F279-V421 HydrophobicContact CZ-CG1 4.13Å
280K94.1Very high89.1Confident186 Ų18654.9 Ų54.981%0.80928%0.284SS*.Hα-helixtrans-88.5-12172.3-76177.4-178.7-175.50113.2G276 Q277 I278 A282G276-K280 WeakPolarHBondContact O-CB 3.36Å; G276-K280 WeakPolarHBondContact O-CD 3.5Å; G276-K280 WeakPolarHBondContact O-CG 3.3Å; G276-K280 PolarHBondContact O-N 2.92Å; Q277-K280 PolarHBondContact O-N 2.84Å; I278-K280 VanDerWaalsContact C-N 3.3Å; I278-K280 PolarHBondContact O-N 3.26Å; K280-A282 PolarHBondContact O-N 3.37Å
281S94.5Very high91.1Very high8 Ų851.8 Ų51.86%0.05627%0.27CS..  trans-79.1116.9-175-178.10000111.6Q277 I278 P283 V284 W285Q277-S281 WeakPolarHBondContact O-CB 3.11Å; Q277-S281 PolarHBondContact O-N 2.94Å; I278-S281 WeakPolarHBondContact O-CB 3.26Å; I278-S281 PolarHBondContact O-N 3.22Å; S281-P283 WeakPolarHBondContact OG-CD 3.31Å; S281-V284 WeakPolarHBondContact O-CB 2.98Å; S281-V284 PolarHBondContact O-N 2.84Å; S281-W285 PolarHBondContact O-N 3.49Å; S281-W285 VanDerWaalsContact O-N 3.17Å
282A95.3Very high92.6Very high46 Ų4649.8 Ų49.838%0.3826%0.261SS..Hα-helixtrans-58-41.7176.500000113.6K280 V284 W285 S286 L471K280-A282 PolarHBondContact O-N 3.37Å; A282-V284 VanDerWaalsContact C-N 3.32Å; A282-V284 PolarHBondContact O-N 2.66Å; A282-W285 WeakPolarHBondContact O-CB 3.43Å; A282-W285 PolarHBondContact O-N 2.89Å; A282-W285 VanDerWaalsContact O-N 3.16Å; A282-S286 PolarHBondContact O-N 3.08Å; A282-L471 HydrophobicContact CB-CD2 3.93Å
283P95.9Very high93.6Very high12 Ų1244.7 Ų44.78%0.07823%0.228CC..Hα-helixtrans-62.8-33.1174.3-26.835.6000114.8S281 S286 I287 L410 L471S281-P283 WeakPolarHBondContact OG-CD 3.31Å; P283-S286 VanDerWaalsContact O-CB 3.3Å; P283-S286 WeakPolarHBondContact O-CB 3.42Å; P283-S286 PolarHBondContact O-N 2.78Å; P283-I287 WeakPolarHBondContact O-CG1 3.39Å; P283-I287 PolarHBondContact O-N 3.28Å; P283-L410 HydrophobicContact CB-CD1 3.49Å; P283-L410 VanDerWaalsContact CB-CD1 3.49Å; P283-L410 HydrophobicContact CB-CD2 3.49Å; P283-L410 VanDerWaalsContact CB-CD2 3.49Å; P283-L410 HydrophobicContact CB-CG 4.12Å; P283-L410 HydrophobicContact CG-CD2 4.16Å; P283-L471 VanDerWaalsContact CA-O 3.31Å; P283-L471 WeakPolarHBondContact CA-O 3.5Å
284V95.7Very high94.4Very high9 Ų943.4 Ų43.46%0.05522%0.219CC..Hα-helixtrans-65.6-41.8173.3173.90000110.6I278 S281 A282 S286 I287 L288 L410 I418 W479I278-V284 HydrophobicContact CG2-CG1 3.92Å; I278-V284 HydrophobicContact CG2-CG2 4.4Å; S281-V284 WeakPolarHBondContact O-CB 2.98Å; S281-V284 PolarHBondContact O-N 2.84Å; A282-V284 VanDerWaalsContact C-N 3.32Å; A282-V284 PolarHBondContact O-N 2.66Å; V284-S286 VanDerWaalsContact C-N 3.3Å; V284-S286 PolarHBondContact O-N 2.99Å; V284-I287 PolarHBondContact O-N 2.9Å; V284-L288 PolarHBondContact O-N 2.93Å; V284-L410 HydrophobicContact CG2-CD1 4.34Å; V284-I418 HydrophobicContact CG1-CG2 4.31Å; V284-I418 HydrophobicContact CG2-CD1 4.23Å; V284-W479 HydrophobicContact CG2-CH2 4.49Å; V284-W479 HydrophobicContact CG2-CZ2 4.21Å
285W96.6Very high94.8Very high117 Ų11742.5 Ų42.544%0.44321%0.213SC..Hα-helixtrans-61.9-36.2172.3-82.1102.5000112.7F279 S281 A282 I287 L288 I289F279-W285 PolarHBondContact O-NE1 2.89Å; S281-W285 PolarHBondContact O-N 3.49Å; S281-W285 VanDerWaalsContact O-N 3.17Å; A282-W285 WeakPolarHBondContact O-CB 3.43Å; A282-W285 PolarHBondContact O-N 2.89Å; A282-W285 VanDerWaalsContact O-N 3.16Å; W285-I287 VanDerWaalsContact C-N 3.34Å; W285-I287 PolarHBondContact O-N 2.88Å; W285-L288 HydrophobicContact CE3-CD2 4.15Å; W285-L288 HydrophobicContact CZ3-CD1 4.41Å; W285-L288 HydrophobicContact CZ3-CD2 4.02Å; W285-L288 PolarHBondContact O-N 3.45Å; W285-I289 WeakPolarHBondContact O-CB 3.32Å; W285-I289 VanDerWaalsContact O-CG1 3.28Å; W285-I289 WeakPolarHBondContact O-CG1 3.15Å; W285-I289 PolarHBondContact O-N 3.49Å
286S97.1Very high95.1Very high1 Ų138.6 Ų38.61%0.00720%0.198CC..Hα-helixtrans-57.7-47.2173.4-163.60000111.9A282 P283 V284 L288 I289 C290 T472A282-S286 PolarHBondContact O-N 3.08Å; P283-S286 VanDerWaalsContact O-CB 3.3Å; P283-S286 WeakPolarHBondContact O-CB 3.42Å; P283-S286 PolarHBondContact O-N 2.78Å; V284-S286 VanDerWaalsContact C-N 3.3Å; V284-S286 PolarHBondContact O-N 2.99Å; S286-L288 VanDerWaalsContact C-N 3.34Å; S286-L288 PolarHBondContact O-N 3.35Å; S286-I289 PolarHBondContact O-N 3.44Å; S286-C290 WeakPolarHBondContact O-CB 3.1Å; S286-C290 PolarHBondContact O-N 3.11Å; S286-C290 PolarHBondContact O-SG 3.44Å; S286-T472 PolarHBondContact OG-N 3.23Å; S286-T472 PolarHBondContact OG-OG1 3.44Å
287I96.1Very high95.4Very high3 Ų336.3 Ų36.32%0.01517%0.174CC..Hα-helixtrans-60.9-46.9177.9-62.7171.3000110P283 V284 W285 C290 H291 Y403 N406 A407 L410 I418 T422P283-I287 WeakPolarHBondContact O-CG1 3.39Å; P283-I287 PolarHBondContact O-N 3.28Å; V284-I287 PolarHBondContact O-N 2.9Å; W285-I287 VanDerWaalsContact C-N 3.34Å; W285-I287 PolarHBondContact O-N 2.88Å; I287-C290 PolarHBondContact O-N 2.57Å; I287-H291 WeakPolarHBondContact O-CB 3.17Å; I287-H291 PolarHBondContact O-N 3.26Å; I287-Y403 HydrophobicContact CG2-CD2 4.22Å; I287-N406 HydrophobicContact CD1-CB 3.94Å; I287-N406 HydrophobicContact CG1-CB 4Å; I287-A407 HydrophobicContact CD1-CB 3.91Å; I287-L410 HydrophobicContact CD1-CD1 3.51Å; I287-L410 HydrophobicContact CG1-CD1 4.45Å; I287-I418 HydrophobicContact CD1-CG2 4.34Å; I287-T422 HydrophobicContact CB-CG2 4.49Å; I287-T422 HydrophobicContact CG2-CG2 3.98Å
288L96.5Very high95.6Very high29 Ų2933.5 Ų33.515%0.15216%0.16CC..Hα-helixtrans-58.3-50.9179-170.3147.2000111.6V284 W285 S286 H291 V292 T422 A425V284-L288 PolarHBondContact O-N 2.93Å; W285-L288 HydrophobicContact CE3-CD2 4.15Å; W285-L288 HydrophobicContact CZ3-CD1 4.41Å; W285-L288 HydrophobicContact CZ3-CD2 4.02Å; W285-L288 PolarHBondContact O-N 3.45Å; S286-L288 VanDerWaalsContact C-N 3.34Å; S286-L288 PolarHBondContact O-N 3.35Å; L288-H291 PolarHBondContact O-N 3.25Å; L288-V292 HydrophobicContact CD2-CG2 4.19Å; L288-V292 VanDerWaalsContact O-CG2 3.29Å; L288-V292 WeakPolarHBondContact O-CG2 3.29Å; L288-V292 PolarHBondContact O-N 2.82Å; L288-T422 HydrophobicContact CB-CG2 3.9Å; L288-T422 HydrophobicContact CG-CG2 4.39Å; L288-A425 HydrophobicContact CD1-CB 4.25Å; L288-A425 HydrophobicContact CG-CB 4.34Å
289I97.5Very high95.7Very high29 Ų2934.1 Ų34.115%0.14916%0.163CC..Hα-helixtrans-62-49.2-178.9-69165.9000110.3W285 S286 H291 V292 C293 F463 M467 L471W285-I289 WeakPolarHBondContact O-CB 3.32Å; W285-I289 VanDerWaalsContact O-CG1 3.28Å; W285-I289 WeakPolarHBondContact O-CG1 3.15Å; W285-I289 PolarHBondContact O-N 3.49Å; S286-I289 PolarHBondContact O-N 3.44Å; I289-H291 VanDerWaalsContact C-N 3.3Å; I289-H291 PolarHBondContact O-N 3.2Å; I289-V292 PolarHBondContact O-N 2.88Å; I289-C293 WeakPolarHBondContact O-CB 3.21Å; I289-C293 PolarHBondContact O-N 2.92Å; I289-C293 PolarHBondContact O-SG 3.13Å; I289-F463 HydrophobicContact CG2-CD1 4.21Å; I289-F463 HydrophobicContact CG2-CE1 3.8Å; I289-M467 HydrophobicContact CD1-CB 4.45Å; I289-M467 HydrophobicContact CD1-CG 4.48Å; I289-M467 HydrophobicContact CG2-CB 4.1Å; I289-M467 HydrophobicContact CG2-CG 4.34Å; I289-L471 HydrophobicContact CD1-CD1 3.86Å
290C97.8Very high95.6Very high0 Ų029.8 Ų29.80%015%0.145CC..Hα-helixtrans-60.1-42.3178.6-68.30000111.7S286 I287 C293 F294 L365 Y403S286-C290 WeakPolarHBondContact O-CB 3.1Å; S286-C290 PolarHBondContact O-N 3.11Å; S286-C290 PolarHBondContact O-SG 3.44Å; I287-C290 PolarHBondContact O-N 2.57Å; C290-C293 PolarHBondContact O-N 2.92Å; C290-F294 VanDerWaalsContact O-CB 3.24Å; C290-F294 WeakPolarHBondContact O-CB 3.35Å; C290-F294 PolarHBondContact O-N 3.24Å; C290-L365 HydrophobicContact CB-CD1 4.22Å; C290-Y403 HydrophobicContact CB-CD1 3.86Å; C290-Y403 HydrophobicContact CB-CG 3.92Å
291H96.6Very high95.4Very high16 Ų1621.5 Ų21.57%0.07411%0.109CC..Hα-helixtrans-65-44.9-179.8-165.6176.4000111.4I287 L288 I289 F294 N295 Y403 N423 A426I287-H291 WeakPolarHBondContact O-CB 3.17Å; I287-H291 PolarHBondContact O-N 3.26Å; L288-H291 PolarHBondContact O-N 3.25Å; I289-H291 VanDerWaalsContact C-N 3.3Å; I289-H291 PolarHBondContact O-N 3.2Å; H291-F294 PolarHBondContact O-N 3.49Å; H291-N295 PolarHBondContact CD2-ND2 2.99Å; H291-N295 PolarHBondContact NE2-ND2 3.43Å; H291-N295 WeakPolarHBondContact O-CB 3.39Å; H291-N295 PolarHBondContact O-N 3.25Å; H291-Y403 HydrophobicContact CB-CD2 3.9Å; H291-Y403 HydrophobicContact CB-CE2 3.58Å; H291-Y403 AromaticContact CD2-CE2 3.58Å; H291-Y403 AromaticContact CD2-CZ 3.64Å; H291-Y403 PolarHBondContact CD2-OH 3.32Å; H291-Y403 AromaticContact CG-CE2 3.46Å; H291-Y403 VanDerWaalsContact CG-CE2 3.46Å; H291-Y403 AromaticContact CG-CZ 3.93Å; H291-Y403 AromaticContact ND1-CE2 3.96Å; H291-N423 PolarHBondContact CE1-OD1 3.43Å; H291-A426 HydrophobicContact CB-CB 3.93Å; H291-A426 WeakPolarHBondContact CD2-CB 3.32Å
292V97.2Very high95.2Very high41 Ų4121.7 Ų21.725%0.24811%0.109CC..Hα-helixtrans-62-46.3175.5172.40000111L288 I289 F294 N295 W296 A425 A426 P429L288-V292 HydrophobicContact CD2-CG2 4.19Å; L288-V292 VanDerWaalsContact O-CG2 3.29Å; L288-V292 WeakPolarHBondContact O-CG2 3.29Å; L288-V292 PolarHBondContact O-N 2.82Å; I289-V292 PolarHBondContact O-N 2.88Å; V292-F294 PolarHBondContact O-N 2.91Å; V292-N295 PolarHBondContact O-N 3.32Å; V292-W296 PolarHBondContact O-N 3.35Å; V292-A425 HydrophobicContact CG2-CB 4.33Å; V292-A426 HydrophobicContact CG2-CB 4.12Å; V292-P429 HydrophobicContact CG1-CG 3.92Å
293C97.5Very high94.9Very high5 Ų519.5 Ų19.53%0.0349%0.092CC..Hα-helixtrans-65.2-40.1-179.5-63.20000112.3I289 C290 L365 I460I289-C293 WeakPolarHBondContact O-CB 3.21Å; I289-C293 PolarHBondContact O-N 2.92Å; I289-C293 PolarHBondContact O-SG 3.13Å; C290-C293 PolarHBondContact O-N 2.92Å; C293-L365 HydrophobicContact CB-CD1 4.35Å; C293-L365 HydrophobicContact CB-CD2 4.23Å; C293-I460 HydrophobicContact CB-CG2 3.99Å; C293-I460 PolarHBondContact SG-O 3.32Å
294F96.6Very high94.5Very high15 Ų1519.2 Ų19.27%0.0669%0.09CC..Hα-helixtrans-62.8-50.2173.6170.8-89000111C290 H291 V292 W296 S297 F298 L365 M396 S399 Y403C290-F294 VanDerWaalsContact O-CB 3.24Å; C290-F294 WeakPolarHBondContact O-CB 3.35Å; C290-F294 PolarHBondContact O-N 3.24Å; H291-F294 PolarHBondContact O-N 3.49Å; V292-F294 PolarHBondContact O-N 2.91Å; F294-W296 VanDerWaalsContact C-N 3.28Å; F294-W296 PolarHBondContact O-N 3.41Å; F294-S297 PolarHBondContact O-N 3.47Å; F294-F298 HydrophobicContact CD1-CB 4.35Å; F294-F298 HydrophobicContact CE1-CB 4Å; F294-F298 HydrophobicContact CE1-CG 4.14Å; F294-F298 HydrophobicContact CZ-CB 4.37Å; F294-F298 HydrophobicContact CZ-CD2 4.38Å; F294-F298 HydrophobicContact CZ-CG 4.39Å; F294-F298 WeakPolarHBondContact O-CB 3.35Å; F294-F298 PolarHBondContact O-N 2.9Å; F294-L365 HydrophobicContact CB-CD2 4.07Å; F294-M396 HydrophobicContact CD2-CB 4.39Å; F294-M396 HydrophobicContact CD2-CE 3.48Å; F294-M396 VanDerWaalsContact CD2-CE 3.48Å; F294-M396 HydrophobicContact CE2-CB 3.86Å; F294-M396 HydrophobicContact CE2-CE 3.44Å; F294-M396 VanDerWaalsContact CE2-CE 3.44Å; F294-M396 HydrophobicContact CG-CE 4.13Å; F294-M396 HydrophobicContact CZ-CE 4.02Å; F294-S399 VanDerWaalsContact CD2-OG 3.32Å; F294-S399 WeakPolarHBondContact CD2-OG 3.5Å; F294-S399 WeakPolarHBondContact CE2-OG 3.31Å; F294-Y403 HydrophobicContact CB-CE1 3.81Å; F294-Y403 HydrophobicContact CD1-CE1 4.31Å; F294-Y403 WeakPolarHBondContact CD1-OH 3.48Å; F294-Y403 HydrophobicContact CD2-CE1 4.33Å; F294-Y403 AromaticContact CG-CE1 3.91Å; F294-Y403 HydrophobicContact CG-CE1 3.91Å
295N95.2Very high94.2Very high6 Ų618.9 Ų18.93%0.0329%0.088CC..Hα-helixtrans-67.8-27.4-176.8-84-1.1000113H291 V292 Y299 A426H291-N295 PolarHBondContact CD2-ND2 2.99Å; H291-N295 PolarHBondContact NE2-ND2 3.43Å; H291-N295 WeakPolarHBondContact O-CB 3.39Å; H291-N295 PolarHBondContact O-N 3.25Å; V292-N295 PolarHBondContact O-N 3.32Å; N295-Y299 HydrophobicContact CB-CD2 3.95Å; N295-Y299 HydrophobicContact CB-CE2 3.79Å; N295-Y299 VanDerWaalsContact O-CB 3.26Å; N295-Y299 WeakPolarHBondContact O-CB 3.3Å; N295-Y299 WeakPolarHBondContact O-CD2 3.23Å; N295-Y299 PolarHBondContact O-N 2.62Å; N295-A426 HydrophobicContact CB-CB 4.22Å; N295-A426 WeakPolarHBondContact CB-O 3.19Å; N295-A426 VanDerWaalsContact ND2-CB 3.28Å; N295-A426 WeakPolarHBondContact ND2-CB 3.29Å; N295-A426 PolarHBondContact ND2-O 3.03Å
296W96.8Very high93.8Very high38 Ų3813.3 Ų13.314%0.1447%0.067CC..Hα-helixtrans-53.5-57.5170.4-179.4-82.3000111.6V292 F294 S300 P429 F432 V436 I456 I460V292-W296 PolarHBondContact O-N 3.35Å; F294-W296 VanDerWaalsContact C-N 3.28Å; F294-W296 PolarHBondContact O-N 3.41Å; W296-S300 WeakPolarHBondContact O-CB 3.37Å; W296-S300 PolarHBondContact O-N 3.26Å; W296-S300 PolarHBondContact O-OG 3.37Å; W296-P429 HydrophobicContact CB-CB 3.81Å; W296-P429 HydrophobicContact CB-CG 4.26Å; W296-P429 HydrophobicContact CD2-CB 4.31Å; W296-P429 HydrophobicContact CE3-CB 3.77Å; W296-P429 HydrophobicContact CE3-CG 4.38Å; W296-P429 HydrophobicContact CG-CB 4.41Å; W296-F432 HydrophobicContact CZ3-CB 4.17Å; W296-V436 HydrophobicContact CH2-CG2 4.08Å; W296-I456 HydrophobicContact CZ2-CG2 3.97Å; W296-I460 HydrophobicContact CB-CG2 4.2Å; W296-I460 HydrophobicContact CD2-CD1 3.5Å; W296-I460 VanDerWaalsContact CE2-CD1 3.43Å; W296-I460 HydrophobicContact CE3-CD1 3.95Å; W296-I460 HydrophobicContact CG-CD1 3.86Å; W296-I460 HydrophobicContact CG-CG2 4.26Å; W296-I460 HydrophobicContact CH2-CD1 4.29Å; W296-I460 HydrophobicContact CZ2-CD1 3.86Å; W296-I460 HydrophobicContact CZ3-CD1 4.32Å
297S94.3Very high93.4Very high0 Ų014 Ų140%07%0.071CC..Hα-helixtrans-72.2-40.7-178.3-61.20000111.2F294 Y299 S300 L301 L368F294-S297 PolarHBondContact O-N 3.47Å; S297-Y299 PolarHBondContact O-N 3.06Å; S297-S300 PolarHBondContact O-N 2.96Å; S297-L301 WeakPolarHBondContact O-CB 3.48Å; S297-L301 WeakPolarHBondContact O-CD1 3.48Å; S297-L301 WeakPolarHBondContact O-CG 3.42Å; S297-L301 PolarHBondContact O-N 3.44Å; S297-L368 VanDerWaalsContact CB-CD2 3.46Å
298F93.4Very high93Very high42 Ų4214.1 Ų14.118%0.1847%0.071CC..Hα-helixtrans-59-50.9179.1-179.6-107.3000112.1F294 I302 Y328 M396F294-F298 HydrophobicContact CD1-CB 4.35Å; F294-F298 HydrophobicContact CE1-CB 4Å; F294-F298 HydrophobicContact CE1-CG 4.14Å; F294-F298 HydrophobicContact CZ-CB 4.37Å; F294-F298 HydrophobicContact CZ-CD2 4.38Å; F294-F298 HydrophobicContact CZ-CG 4.39Å; F294-F298 WeakPolarHBondContact O-CB 3.35Å; F294-F298 PolarHBondContact O-N 2.9Å; F298-I302 HydrophobicContact CZ-CD1 4.26Å; F298-I302 WeakPolarHBondContact O-CB 3.44Å; F298-I302 WeakPolarHBondContact O-CG2 3.45Å; F298-I302 PolarHBondContact O-N 2.91Å; F298-Y328 HydrophobicContact CD2-CE1 4.1Å; F298-Y328 AromaticContact CE2-CD1 3.89Å; F298-Y328 HydrophobicContact CE2-CD1 3.89Å; F298-Y328 AromaticContact CE2-CE1 3.81Å; F298-Y328 HydrophobicContact CE2-CE1 3.81Å; F298-M396 HydrophobicContact CB-CE 3.87Å
299Y92.3Very high92.5Very high14 Ų1412.7 Ų12.76%0.0556%0.064CC..Hα-helixtrans-71.7-39.9-179.9-66.1-30.7000113F63 N295 S297 T303 A426F63-Y299 HydrophobicContact CD1-CD2 4.5Å; F63-Y299 HydrophobicContact CD1-CE2 4.39Å; F63-Y299 AromaticContact CE1-CD1 3.84Å; F63-Y299 HydrophobicContact CE1-CD1 3.84Å; F63-Y299 AromaticContact CE1-CD2 3.71Å; F63-Y299 HydrophobicContact CE1-CD2 3.71Å; F63-Y299 AromaticContact CE1-CE1 3.87Å; F63-Y299 HydrophobicContact CE1-CE1 3.87Å; F63-Y299 AromaticContact CE1-CE2 3.76Å; F63-Y299 HydrophobicContact CE1-CE2 3.76Å; F63-Y299 AromaticContact CE1-CG 3.74Å; F63-Y299 HydrophobicContact CE1-CG 3.74Å; F63-Y299 AromaticContact CE1-CZ 3.83Å; F63-Y299 AromaticContact CZ-CD1 3.89Å; F63-Y299 HydrophobicContact CZ-CD1 3.89Å; F63-Y299 HydrophobicContact CZ-CD2 4.05Å; F63-Y299 HydrophobicContact CZ-CE1 4.37Å; F63-Y299 AromaticContact CZ-CG 3.69Å; F63-Y299 HydrophobicContact CZ-CG 3.69Å; N295-Y299 HydrophobicContact CB-CD2 3.95Å; N295-Y299 HydrophobicContact CB-CE2 3.79Å; N295-Y299 VanDerWaalsContact O-CB 3.26Å; N295-Y299 WeakPolarHBondContact O-CB 3.3Å; N295-Y299 WeakPolarHBondContact O-CD2 3.23Å; N295-Y299 PolarHBondContact O-N 2.62Å; S297-Y299 PolarHBondContact O-N 3.06Å; Y299-T303 WeakPolarHBondContact O-CB 3.3Å; Y299-T303 PolarHBondContact O-N 3.19Å; Y299-T303 VanDerWaalsContact O-N 3.1Å; Y299-T303 PolarHBondContact O-OG1 3.46Å; Y299-A426 WeakPolarHBondContact CE2-O 3.46Å
300S89.9Confident91.9Very high9 Ų912.6 Ų12.66%0.0637%0.065CC..Hα-helixtrans-62.7-45.5177.2-63.10000111.3W296 S297 S304W296-S300 WeakPolarHBondContact O-CB 3.37Å; W296-S300 PolarHBondContact O-N 3.26Å; W296-S300 PolarHBondContact O-OG 3.37Å; S297-S300 PolarHBondContact O-N 2.96Å; S300-S304 WeakPolarHBondContact O-CB 3.41Å; S300-S304 PolarHBondContact O-N 2.91Å
301L91.4Very high91.1Very high11 Ų1113.6 Ų13.66%0.0587%0.069CC..Hα-helixtrans-68.1-50.5178.9-65.3168.1000110.5S297 T303 S304 M305 L368 L372 F389 I393 F454S297-L301 WeakPolarHBondContact O-CB 3.48Å; S297-L301 WeakPolarHBondContact O-CD1 3.48Å; S297-L301 WeakPolarHBondContact O-CG 3.42Å; S297-L301 PolarHBondContact O-N 3.44Å; L301-T303 PolarHBondContact O-N 2.86Å; L301-S304 PolarHBondContact O-N 3.5Å; L301-M305 WeakPolarHBondContact O-CA 3.45Å; L301-M305 WeakPolarHBondContact O-CB 3.34Å; L301-M305 PolarHBondContact O-N 3.01Å; L301-L368 HydrophobicContact CD1-CD1 4.36Å; L301-L372 HydrophobicContact CD1-CD2 4.22Å; L301-L372 HydrophobicContact CD2-CD2 4.14Å; L301-F389 HydrophobicContact CD2-CE1 4Å; L301-I393 HydrophobicContact CB-CD1 4.48Å; L301-I393 HydrophobicContact CD1-CD1 4.07Å; L301-I393 HydrophobicContact CD1-CG1 4Å; L301-F454 HydrophobicContact CD2-CE1 4.24Å
302I89.7Confident90.5Very high12 Ų1213 Ų136%0.0627%0.066CC..Hα-helixtrans-64.4-24.5-176.4-158.1172.4000112.8V3 N6 F298 Y328V3-I302 HydrophobicContact CG1-CD1 4.09Å; V3-I302 HydrophobicContact CG1-CG1 4.32Å; N6-I302 PolarHBondContact ND2-O 2.91Å; F298-I302 HydrophobicContact CZ-CD1 4.26Å; F298-I302 WeakPolarHBondContact O-CB 3.44Å; F298-I302 WeakPolarHBondContact O-CG2 3.45Å; F298-I302 PolarHBondContact O-N 2.91Å; I302-Y328 WeakPolarHBondContact CA-OH 3.13Å; I302-Y328 HydrophobicContact CB-CE1 4.07Å; I302-Y328 HydrophobicContact CB-CE2 4.44Å; I302-Y328 WeakPolarHBondContact CB-OH 3.21Å; I302-Y328 HydrophobicContact CD1-CE1 4.26Å; I302-Y328 HydrophobicContact CG1-CE1 4.15Å; I302-Y328 HydrophobicContact CG1-CE2 4.06Å; I302-Y328 PolarHBondContact N-OH 3.2Å
303T88.7Confident89.9Confident1 Ų111 Ų111%0.0065%0.054CC..Hα-helixtrans-86.6-40.8-178.8-55.40000112.5N6 L59 Y299 L301 P434N6-T303 WeakPolarHBondContact ND2-CA 3.35Å; L59-T303 HydrophobicContact CB-CG2 3.63Å; L59-T303 HydrophobicContact CD1-CG2 3.67Å; L59-T303 HydrophobicContact CD2-CG2 4.25Å; L59-T303 HydrophobicContact CG-CG2 4.03Å; Y299-T303 WeakPolarHBondContact O-CB 3.3Å; Y299-T303 PolarHBondContact O-N 3.19Å; Y299-T303 VanDerWaalsContact O-N 3.1Å; Y299-T303 PolarHBondContact O-OG1 3.46Å; L301-T303 PolarHBondContact O-N 2.86Å; T303-P434 HydrophobicContact CG2-CB 4.32Å; T303-P434 HydrophobicContact CG2-CG 3.8Å
304S88.4Confident89.1Confident5 Ų511.4 Ų11.44%0.0356%0.059CC..Hα-helixtrans-114.7-2.2-170.8-52.20000113.9S300 L301 T307 Y308 I437 W450S300-S304 WeakPolarHBondContact O-CB 3.41Å; S300-S304 PolarHBondContact O-N 2.91Å; L301-S304 PolarHBondContact O-N 3.5Å; S304-T307 WeakPolarHBondContact O-CA 3.23Å; S304-T307 VanDerWaalsContact O-CB 3.25Å; S304-T307 WeakPolarHBondContact O-CB 3.48Å; S304-T307 PolarHBondContact O-N 3.3Å; S304-T307 VanDerWaalsContact O-N 3.12Å; S304-Y308 PolarHBondContact O-N 3.44Å; S304-I437 WeakPolarHBondContact OG-CD1 3.31Å; S304-W450 WeakPolarHBondContact O-CH2 3.32Å
305M89.6Confident88.5Confident3 Ų311.6 Ų11.62%0.0156%0.06CC..Hα-helixtrans-60.4-42.9173.3179168.9-141.200112.5L301 T307 Y308 M309 P327 Y328 F389 I393L301-M305 WeakPolarHBondContact O-CA 3.45Å; L301-M305 WeakPolarHBondContact O-CB 3.34Å; L301-M305 PolarHBondContact O-N 3.01Å; M305-T307 PolarHBondContact O-N 3.41Å; M305-Y308 PolarHBondContact O-N 3.3Å; M305-Y308 VanDerWaalsContact O-N 3.1Å; M305-M309 HydrophobicContact CE-CE 3.45Å; M305-M309 VanDerWaalsContact CE-CE 3.45Å; M305-M309 HydrophobicContact CG-CE 4.21Å; M305-M309 HydrophobicContact CG-CG 4.17Å; M305-M309 WeakPolarHBondContact O-CB 3.49Å; M305-M309 VanDerWaalsContact O-CG 3.31Å; M305-M309 WeakPolarHBondContact O-CG 3.42Å; M305-M309 PolarHBondContact O-N 3.41Å; M305-P327 HydrophobicContact CE-CB 4.41Å; M305-P327 HydrophobicContact CE-CG 3.64Å; M305-P327 HydrophobicContact SD-CG 4.35Å; M305-Y328 HydrophobicContact SD-CE2 4.05Å; M305-F389 HydrophobicContact CE-CB 3.63Å; M305-F389 HydrophobicContact CE-CD1 3.87Å; M305-F389 HydrophobicContact CE-CD2 3.8Å; M305-F389 HydrophobicContact CE-CE1 4.45Å; M305-F389 HydrophobicContact CE-CE2 4.36Å; M305-F389 HydrophobicContact CE-CG 3.52Å; M305-I393 HydrophobicContact CE-CD1 3.97Å; M305-I393 HydrophobicContact SD-CD1 4.13Å
306P87.8Confident87.9Confident0 Ų013.1 Ų13.10%07%0.071CC..Hα-helixtrans-56.8-38.9172.8-26.536.2000112.1N6 V7 L10 C310 N320N6-P306 HydrophobicContact CB-CG 4.47Å; V7-P306 HydrophobicContact CG2-CB 4.2Å; V7-P306 HydrophobicContact CG2-CG 4.01Å; L10-P306 HydrophobicContact CD1-CB 3.91Å; L10-P306 WeakPolarHBondContact CD1-O 3.35Å; P306-C310 WeakPolarHBondContact O-CB 3.44Å; P306-C310 PolarHBondContact O-N 3.41Å; P306-N320 WeakPolarHBondContact CA-ND2 3.45Å; P306-N320 WeakPolarHBondContact CA-OD1 3.37Å; P306-N320 PolarHBondContact O-ND2 3.17Å
307T87.3Confident87Confident15 Ų1512.2 Ų12.29%0.0927%0.069CC..Hα-helixtrans-63.5-44.2176.6-54.30000112.2L10 S304 M305 R311 W450L10-T307 HydrophobicContact CD2-CG2 4.16Å; S304-T307 WeakPolarHBondContact O-CA 3.23Å; S304-T307 VanDerWaalsContact O-CB 3.25Å; S304-T307 WeakPolarHBondContact O-CB 3.48Å; S304-T307 PolarHBondContact O-N 3.3Å; S304-T307 VanDerWaalsContact O-N 3.12Å; M305-T307 PolarHBondContact O-N 3.41Å; T307-R311 HydrophobicContact CG2-CG 4.27Å; T307-R311 VanDerWaalsContact O-CB 3.25Å; T307-R311 WeakPolarHBondContact O-CB 3.16Å; T307-R311 PolarHBondContact O-N 2.85Å; T307-W450 HydrophobicContact CG2-CZ2 4.25Å
308Y88.5Confident86.2Confident5 Ų514.9 Ų14.92%0.029%0.085CC..Hα-helixtrans-63.3-50177.2-179.2-97.6000111.9S304 M305 C310 V312 L313 F389 W450 F454S304-Y308 PolarHBondContact O-N 3.44Å; M305-Y308 PolarHBondContact O-N 3.3Å; M305-Y308 VanDerWaalsContact O-N 3.1Å; Y308-C310 VanDerWaalsContact C-N 3.34Å; Y308-C310 PolarHBondContact O-N 3.35Å; Y308-V312 HydrophobicContact CD2-CB 3.88Å; Y308-V312 HydrophobicContact CD2-CG1 4.29Å; Y308-V312 HydrophobicContact CD2-CG2 3.56Å; Y308-V312 HydrophobicContact CE2-CB 3.87Å; Y308-V312 HydrophobicContact CE2-CG1 3.78Å; Y308-V312 HydrophobicContact CE2-CG2 3.89Å; Y308-V312 HydrophobicContact CG-CB 4.41Å; Y308-V312 HydrophobicContact CG-CG2 4.28Å; Y308-V312 WeakPolarHBondContact O-CA 3.16Å; Y308-V312 WeakPolarHBondContact O-CB 3.24Å; Y308-V312 PolarHBondContact O-N 3.4Å; Y308-L313 HydrophobicContact CD1-CD1 4.19Å; Y308-L313 HydrophobicContact CD1-CG 4.19Å; Y308-L313 HydrophobicContact CE1-CD1 3.73Å; Y308-L313 HydrophobicContact CE1-CD2 4.05Å; Y308-L313 HydrophobicContact CE1-CG 3.69Å; Y308-L313 PolarHBondContact O-N 2.93Å; Y308-F389 AromaticContact CD1-CE2 3.65Å; Y308-F389 HydrophobicContact CD1-CE2 3.65Å; Y308-F389 AromaticContact CD1-CZ 3.93Å; Y308-F389 HydrophobicContact CD1-CZ 3.93Å; Y308-F389 AromaticContact CE1-CE2 3.48Å; Y308-F389 HydrophobicContact CE1-CE2 3.48Å; Y308-F389 VanDerWaalsContact CE1-CE2 3.48Å; Y308-F389 AromaticContact CE1-CZ 3.9Å; Y308-F389 HydrophobicContact CE1-CZ 3.9Å; Y308-W450 HydrophobicContact CD2-CB 4.1Å; Y308-W450 AromaticContact CD2-CD2 3.45Å; Y308-W450 HydrophobicContact CD2-CD2 3.45Å; Y308-W450 VanDerWaalsContact CD2-CD2 3.45Å; Y308-W450 AromaticContact CD2-CE2 3.78Å; Y308-W450 AromaticContact CD2-CE3 3.74Å; Y308-W450 HydrophobicContact CD2-CE3 3.74Å; Y308-W450 AromaticContact CD2-CG 3.62Å; Y308-W450 HydrophobicContact CD2-CG 3.62Å; Y308-W450 HydrophobicContact CD2-CZ2 4.3Å; Y308-W450 HydrophobicContact CD2-CZ3 4.27Å; Y308-W450 HydrophobicContact CE2-CB 3.85Å; Y308-W450 HydrophobicContact CE2-CD2 4.14Å; Y308-W450 HydrophobicContact CE2-CE3 4.47Å; Y308-W450 AromaticContact CE2-CG 3.87Å; Y308-W450 HydrophobicContact CE2-CG 3.87Å; Y308-W450 HydrophobicContact CG-CD2 4.43Å; Y308-W450 HydrophobicContact CG-CE3 4.47Å; Y308-F454 HydrophobicContact CD2-CE2 4.09Å; Y308-F454 AromaticContact CD2-CZ 3.72Å; Y308-F454 HydrophobicContact CD2-CZ 3.72Å; Y308-F454 HydrophobicContact CE1-CZ 4.49Å; Y308-F454 AromaticContact CE2-CE2 3.57Å; Y308-F454 HydrophobicContact CE2-CE2 3.57Å; Y308-F454 AromaticContact CE2-CZ 3.69Å; Y308-F454 HydrophobicContact CE2-CZ 3.69Å; Y308-F454 HydrophobicContact CG-CZ 4.13Å; Y308-F454 AromaticContact CZ-CE2 3.86Å
309M86.9Confident85.8Confident0 Ų017.6 Ų17.60%010%0.098CC..Hα-helixtrans-60.7-41.9-177.9-70.8-66.3179.200112.3M305 L313 G314 F315 N320 I386 F389M305-M309 HydrophobicContact CE-CE 3.45Å; M305-M309 VanDerWaalsContact CE-CE 3.45Å; M305-M309 HydrophobicContact CG-CE 4.21Å; M305-M309 HydrophobicContact CG-CG 4.17Å; M305-M309 WeakPolarHBondContact O-CB 3.49Å; M305-M309 VanDerWaalsContact O-CG 3.31Å; M305-M309 WeakPolarHBondContact O-CG 3.42Å; M305-M309 PolarHBondContact O-N 3.41Å; M309-L313 WeakPolarHBondContact O-CB 3.28Å; M309-L313 HydrophobicContact SD-CD1 3.62Å; M309-G314 PolarHBondContact O-N 3.39Å; M309-F315 HydrophobicContact CB-CD2 4.35Å; M309-F315 PolarHBondContact O-N 3.1Å; M309-F315 HydrophobicContact SD-CD2 4.14Å; M309-F315 HydrophobicContact SD-CE2 4.25Å; M309-N320 WeakPolarHBondContact CB-OD1 3.36Å; M309-I386 HydrophobicContact CE-CG1 3.98Å; M309-I386 HydrophobicContact SD-CG1 4.09Å; M309-F389 HydrophobicContact CE-CD2 3.63Å; M309-F389 HydrophobicContact CE-CE2 4.02Å; M309-F389 HydrophobicContact CE-CG 4.48Å
310C83.6Confident85.5Confident27 Ų2716.9 Ų16.918%0.18210%0.096CC..Hα-helixtrans-78.1-55.8177.3-178.20000112.3L10 P306 Y308 G314 F315 M317L10-C310 HydrophobicContact CD1-CB 4.02Å; P306-C310 WeakPolarHBondContact O-CB 3.44Å; P306-C310 PolarHBondContact O-N 3.41Å; Y308-C310 VanDerWaalsContact C-N 3.34Å; Y308-C310 PolarHBondContact O-N 3.35Å; C310-G314 WeakPolarHBondContact O-CA 3.45Å; C310-G314 PolarHBondContact O-N 3.33Å; C310-G314 VanDerWaalsContact O-N 3.1Å; C310-F315 WeakPolarHBondContact CA-O 3.29Å; C310-M317 HydrophobicContact CB-CE 4.09Å; C310-M317 HydrophobicContact CB-SD 4.4Å; C310-M317 WeakPolarHBondContact SG-CE 3.03Å
311R81.4Confident85Confident21 Ų2116.5 Ų16.58%0.0799%0.093CC..Hα-helixtrans-78-28.7-169.2-61.9-169.6173125-1.3114.1D15 F28 T307D15-R311 IonicContact OD1-CZ 3.52Å; D15-R311 IonicContact OD1-NE 3.54Å; D15-R311 PolarHBondContact OD1-NE 3.44Å; D15-R311 IonicContact OD1-NH2 3.4Å; D15-R311 PolarHBondContact OD1-NH2 3.49Å; D15-R311 IonicContact OD2-CZ 3.72Å; D15-R311 IonicContact OD2-NE 2.89Å; D15-R311 PolarHBondContact OD2-NE 2.86Å; D15-R311 IonicContact OD2-NH2 3.26Å; D15-R311 PolarHBondContact OD2-NH2 3.47Å; F28-R311 WeakPolarHBondContact CD1-O 3.41Å; F28-R311 VanDerWaalsContact CE1-O 3.31Å; F28-R311 WeakPolarHBondContact CE1-O 3.41Å; T307-R311 HydrophobicContact CG2-CG 4.27Å; T307-R311 VanDerWaalsContact O-CB 3.25Å; T307-R311 WeakPolarHBondContact O-CB 3.16Å; T307-R311 PolarHBondContact O-N 2.85Å
312V84.1Confident84.8Confident3 Ų320.5 Ų20.52%0.01811%0.114CC..THydrogen-bonded Turntrans-100.1-52.1-177.1-170.60000110.8Y308 S445 I447 W450Y308-V312 HydrophobicContact CD2-CB 3.88Å; Y308-V312 HydrophobicContact CD2-CG1 4.29Å; Y308-V312 HydrophobicContact CD2-CG2 3.56Å; Y308-V312 HydrophobicContact CE2-CB 3.87Å; Y308-V312 HydrophobicContact CE2-CG1 3.78Å; Y308-V312 HydrophobicContact CE2-CG2 3.89Å; Y308-V312 HydrophobicContact CG-CB 4.41Å; Y308-V312 HydrophobicContact CG-CG2 4.28Å; Y308-V312 WeakPolarHBondContact O-CA 3.16Å; Y308-V312 WeakPolarHBondContact O-CB 3.24Å; Y308-V312 PolarHBondContact O-N 3.4Å; V312-S445 WeakPolarHBondContact CG2-O 3.43Å; V312-I447 HydrophobicContact CG1-CD1 4.5Å; V312-I447 HydrophobicContact CG1-CG1 3.5Å; V312-I447 VanDerWaalsContact CG1-CG1 3.5Å; V312-W450 HydrophobicContact CG2-CG 4.1Å; V312-W450 VanDerWaalsContact CG2-NE1 3.29Å
313L85.1Confident84.8Confident0 Ų021.6 Ų21.60%012%0.119CC..THydrogen-bonded Turntrans-83.9-14.2-177.7-59.3-174.9000113.4Y308 M309 F315 R382 A385Y308-L313 HydrophobicContact CD1-CD1 4.19Å; Y308-L313 HydrophobicContact CD1-CG 4.19Å; Y308-L313 HydrophobicContact CE1-CD1 3.73Å; Y308-L313 HydrophobicContact CE1-CD2 4.05Å; Y308-L313 HydrophobicContact CE1-CG 3.69Å; Y308-L313 PolarHBondContact O-N 2.93Å; M309-L313 WeakPolarHBondContact O-CB 3.28Å; M309-L313 HydrophobicContact SD-CD1 3.62Å; L313-F315 HydrophobicContact CB-CD2 3.76Å; L313-F315 HydrophobicContact CB-CE2 3.85Å; L313-F315 HydrophobicContact CD1-CD2 4.29Å; L313-F315 HydrophobicContact CD1-CE2 3.86Å; L313-R382 HydrophobicContact CB-CG 4.41Å; L313-R382 WeakPolarHBondContact O-CD 3.42Å; L313-R382 PolarHBondContact O-NE 3.12Å; L313-A385 HydrophobicContact CD1-CB 3.75Å; L313-A385 HydrophobicContact CD2-CB 4.25Å
314G80.3Confident84.7Confident13 Ų1321.6 Ų21.613%0.13412%0.119CC..  trans73.827.6175.800000114.3M309 C310 R382M309-G314 PolarHBondContact O-N 3.39Å; C310-G314 WeakPolarHBondContact O-CA 3.45Å; C310-G314 PolarHBondContact O-N 3.33Å; C310-G314 VanDerWaalsContact O-N 3.1Å; G314-R382 PolarHBondContact O-NH1 2.81Å
315F83Confident84.7Confident19 Ų1921.4 Ų21.48%0.08312%0.118CC..  trans-74145170.2-73.2-70.3000111.3M309 C310 L313 E319 N320 L323 R382 I386M309-F315 HydrophobicContact CB-CD2 4.35Å; M309-F315 PolarHBondContact O-N 3.1Å; M309-F315 HydrophobicContact SD-CD2 4.14Å; M309-F315 HydrophobicContact SD-CE2 4.25Å; C310-F315 WeakPolarHBondContact CA-O 3.29Å; L313-F315 HydrophobicContact CB-CD2 3.76Å; L313-F315 HydrophobicContact CB-CE2 3.85Å; L313-F315 HydrophobicContact CD1-CD2 4.29Å; L313-F315 HydrophobicContact CD1-CE2 3.86Å; F315-E319 HydrophobicContact CD1-CB 4.39Å; F315-N320 HydrophobicContact CB-CB 4.47Å; F315-L323 HydrophobicContact CD1-CD1 3.69Å; F315-L323 HydrophobicContact CD2-CD1 4.46Å; F315-L323 HydrophobicContact CE1-CD1 3.68Å; F315-L323 HydrophobicContact CE2-CD1 4.46Å; F315-L323 HydrophobicContact CG-CD1 4.1Å; F315-L323 HydrophobicContact CZ-CD1 4.09Å; F315-R382 HydrophobicContact CE1-CB 4.46Å; F315-R382 HydrophobicContact CE2-CB 3.8Å; F315-R382 HydrophobicContact CE2-CG 4.5Å; F315-R382 HydrophobicContact CZ-CB 3.52Å; F315-R382 HydrophobicContact CZ-CG 4.38Å; F315-I386 HydrophobicContact CE1-CD1 4.17Å; F315-I386 HydrophobicContact CE2-CD1 3.52Å; F315-I386 HydrophobicContact CE2-CG1 4.18Å; F315-I386 HydrophobicContact CZ-CD1 3.28Å; F315-I386 HydrophobicContact CZ-CG1 4.37Å
316S82.5Confident84.8Confident37 Ų3724.4 Ų24.426%0.25913%0.134SC..  trans-63.9159.4171.366.10000111.2T318 E319 N320S316-T318 PolarHBondContact O-N 3.35Å; S316-E319 PolarHBondContact N-OE2 2.85Å; S316-E319 PolarHBondContact O-N 2.88Å; S316-E319 WeakPolarHBondContact OG-CB 3.4Å; S316-E319 VanDerWaalsContact OG-CD 3.26Å; S316-E319 VanDerWaalsContact OG-CG 3.25Å; S316-E319 WeakPolarHBondContact OG-CG 3.16Å; S316-E319 PolarHBondContact OG-N 2.96Å; S316-E319 PolarHBondContact OG-OE2 3.48Å; S316-N320 WeakPolarHBondContact O-CB 3.1Å; S316-N320 PolarHBondContact O-N 3.47Å
317M78.6Confident85Confident20 Ų2024.4 Ų24.410%0.09913%0.134CC..Hα-helixtrans-61.7-34.7177.9-62.6-62.8163.100112.2L10 G165 Q169 C310 G321L10-M317 HydrophobicContact CB-CE 3.35Å; L10-M317 HydrophobicContact CB-SD 3.64Å; L10-M317 HydrophobicContact CD1-CE 4.01Å; L10-M317 HydrophobicContact CD1-SD 3.64Å; L10-M317 HydrophobicContact CG-CE 4.28Å; L10-M317 HydrophobicContact CG-SD 4.3Å; G165-M317 VanDerWaalsContact CA-O 3.28Å; G165-M317 WeakPolarHBondContact CA-O 3.42Å; Q169-M317 HydrophobicContact CB-CB 4.43Å; Q169-M317 VanDerWaalsContact OE1-CB 3.25Å; C310-M317 HydrophobicContact CB-CE 4.09Å; C310-M317 HydrophobicContact CB-SD 4.4Å; C310-M317 WeakPolarHBondContact SG-CE 3.03Å; M317-G321 PolarHBondContact O-N 2.89Å; M317-G321 VanDerWaalsContact O-N 3.1Å
318T78.6Confident85.1Confident56 Ų5624.2 Ų24.234%0.34413%0.131SC..Hα-helixtrans-64.9-50.9178.9-60.60000111.3V166 S316V166-T318 HydrophobicContact CG2-CG2 3.93Å; S316-T318 PolarHBondContact O-N 3.35Å
319E84.6Confident85.2Confident98 Ų9827 Ų2746%0.45815%0.146SC..Hα-helixtrans-66.3-41176.9-67.2165141.700111.1F315 S316 G321 L322 L323F315-E319 HydrophobicContact CD1-CB 4.39Å; S316-E319 PolarHBondContact N-OE2 2.85Å; S316-E319 PolarHBondContact O-N 2.88Å; S316-E319 WeakPolarHBondContact OG-CB 3.4Å; S316-E319 VanDerWaalsContact OG-CD 3.26Å; S316-E319 VanDerWaalsContact OG-CG 3.25Å; S316-E319 WeakPolarHBondContact OG-CG 3.16Å; S316-E319 PolarHBondContact OG-N 2.96Å; S316-E319 PolarHBondContact OG-OE2 3.48Å; E319-G321 VanDerWaalsContact C-N 3.35Å; E319-G321 PolarHBondContact O-N 2.8Å; E319-L322 PolarHBondContact O-N 2.9Å; E319-L323 HydrophobicContact CB-CD1 3.96Å; E319-L323 VanDerWaalsContact O-CB 3.31Å; E319-L323 WeakPolarHBondContact O-CB 3.35Å; E319-L323 WeakPolarHBondContact O-CG 3.06Å; E319-L323 PolarHBondContact O-N 3.34Å
320N84.5Confident85.5Confident0 Ų028.3 Ų28.30%016%0.156CC..Hα-helixtrans-57.4-44.3-178.7-177.819.2000112.7P306 M309 F315 S316 L322 L323 S324P306-N320 WeakPolarHBondContact CA-ND2 3.45Å; P306-N320 WeakPolarHBondContact CA-OD1 3.37Å; P306-N320 PolarHBondContact O-ND2 3.17Å; M309-N320 WeakPolarHBondContact CB-OD1 3.36Å; F315-N320 HydrophobicContact CB-CB 4.47Å; S316-N320 WeakPolarHBondContact O-CB 3.1Å; S316-N320 PolarHBondContact O-N 3.47Å; N320-L322 VanDerWaalsContact C-N 3.31Å; N320-L322 PolarHBondContact O-N 2.88Å; N320-L323 PolarHBondContact O-N 2.79Å; N320-S324 WeakPolarHBondContact O-CB 3.11Å; N320-S324 PolarHBondContact O-N 2.93Å; N320-S324 PolarHBondContact O-OG 2.82Å; N320-S324 PolarHBondContact OD1-OG 3.42Å
321G81Confident85.9Confident0 Ų028 Ų280%015%0.153CC..Hα-helixtrans-59.4-40.7178.400000112.9Q161 M317 E319Q161-G321 WeakPolarHBondContact CB-O 3.28Å; Q161-G321 WeakPolarHBondContact O-CA 3.26Å; M317-G321 PolarHBondContact O-N 2.89Å; M317-G321 VanDerWaalsContact O-N 3.1Å; E319-G321 VanDerWaalsContact C-N 3.35Å; E319-G321 PolarHBondContact O-N 2.8Å
322L86.5Confident86.3Confident96 Ų9628.5 Ų28.550%0.50316%0.159SC..Hα-helixtrans-75.9-49.3177.7-178.362.5000111.7E319 N320 S324 S325E319-L322 PolarHBondContact O-N 2.9Å; N320-L322 VanDerWaalsContact C-N 3.31Å; N320-L322 PolarHBondContact O-N 2.88Å; L322-S324 VanDerWaalsContact C-N 3.34Å; L322-S324 PolarHBondContact O-N 3.27Å; L322-S325 WeakPolarHBondContact O-CB 3.25Å; L322-S325 PolarHBondContact O-N 3.45Å; L322-S325 PolarHBondContact O-OG 3.42Å
323L89.1Confident86.7Confident34 Ų3433 Ų3318%0.17818%0.182CC..Hα-helixtrans-65.1-35.9-176.1-67.7172.1000112.4F315 E319 N320 S325 I326 P327 I386F315-L323 HydrophobicContact CD1-CD1 3.69Å; F315-L323 HydrophobicContact CD2-CD1 4.46Å; F315-L323 HydrophobicContact CE1-CD1 3.68Å; F315-L323 HydrophobicContact CE2-CD1 4.46Å; F315-L323 HydrophobicContact CG-CD1 4.1Å; F315-L323 HydrophobicContact CZ-CD1 4.09Å; E319-L323 HydrophobicContact CB-CD1 3.96Å; E319-L323 VanDerWaalsContact O-CB 3.31Å; E319-L323 WeakPolarHBondContact O-CB 3.35Å; E319-L323 WeakPolarHBondContact O-CG 3.06Å; E319-L323 PolarHBondContact O-N 3.34Å; N320-L323 PolarHBondContact O-N 2.79Å; L323-S325 PolarHBondContact O-N 3.34Å; L323-I326 HydrophobicContact CD2-CD1 3.82Å; L323-I326 PolarHBondContact O-N 2.9Å; L323-P327 WeakPolarHBondContact O-CD 3.45Å; L323-I386 HydrophobicContact CB-CD1 4.46Å; L323-I386 HydrophobicContact CD1-CD1 3.83Å; L323-I386 HydrophobicContact CD2-CD1 4.13Å; L323-I386 HydrophobicContact CG-CD1 4.36Å
324S88.1Confident87.1Confident1 Ų134.8 Ų34.81%0.00719%0.193CC..THydrogen-bonded Turntrans-66-19.6174.7-68.10000112.9Q161 N320 L322 Y328Q161-S324 VanDerWaalsContact OE1-CB 3.23Å; N320-S324 WeakPolarHBondContact O-CB 3.11Å; N320-S324 PolarHBondContact O-N 2.93Å; N320-S324 PolarHBondContact O-OG 2.82Å; N320-S324 PolarHBondContact OD1-OG 3.42Å; L322-S324 VanDerWaalsContact C-N 3.34Å; L322-S324 PolarHBondContact O-N 3.27Å; S324-Y328 WeakPolarHBondContact O-CD2 3.21Å; S324-Y328 WeakPolarHBondContact O-CE2 3.31Å
325S87.3Confident87.7Confident2 Ų235.1 Ų35.11%0.01419%0.193CC..THydrogen-bonded Turntrans-86.1-26.8179.7810000113.9L322 L323 Y328 I329L322-S325 WeakPolarHBondContact O-CB 3.25Å; L322-S325 PolarHBondContact O-N 3.45Å; L322-S325 PolarHBondContact O-OG 3.42Å; L323-S325 PolarHBondContact O-N 3.34Å; S325-Y328 PolarHBondContact O-N 2.74Å; S325-Y328 VanDerWaalsContact O-N 3.12Å; S325-I329 PolarHBondContact O-N 2.94Å
326I91.1Very high88Confident66 Ų6639.1 Ų39.134%0.33822%0.215SC..Hα-helixtrans-53.9-46.9-177.8-65.1173.4000112.5L323 Y328 I329 A330L323-I326 HydrophobicContact CD2-CD1 3.82Å; L323-I326 PolarHBondContact O-N 2.9Å; I326-Y328 VanDerWaalsContact C-N 3.26Å; I326-Y328 PolarHBondContact O-N 3.26Å; I326-I329 WeakPolarHBondContact O-CB 3.33Å; I326-I329 PolarHBondContact O-N 2.88Å; I326-A330 PolarHBondContact O-N 3.39Å
327P92.4Very high88.4Confident0 Ų042.7 Ų42.70%023%0.23CC..Hα-helixtrans-61.6-31.5-179.1-24.635.7000114M305 L323 A330 Q331 F389 I393M305-P327 HydrophobicContact CE-CB 4.41Å; M305-P327 HydrophobicContact CE-CG 3.64Å; M305-P327 HydrophobicContact SD-CG 4.35Å; L323-P327 WeakPolarHBondContact O-CD 3.45Å; P327-A330 PolarHBondContact O-N 3.01Å; P327-Q331 PolarHBondContact O-N 2.71Å; P327-F389 HydrophobicContact CG-CB 4.27Å; P327-I393 HydrophobicContact CB-CB 3.78Å; P327-I393 HydrophobicContact CB-CD1 3.54Å; P327-I393 HydrophobicContact CB-CG1 4.2Å; P327-I393 HydrophobicContact CB-CG2 4.03Å; P327-I393 HydrophobicContact CG-CD1 4.27Å
328Y90Very high89.1Confident10 Ų1041.8 Ų41.84%0.03923%0.226CC..Hα-helixtrans-78.8-30.6178.5-59.6-73.6000112.5F298 I302 M305 S324 S325 I326 S332 I393F298-Y328 HydrophobicContact CD2-CE1 4.1Å; F298-Y328 AromaticContact CE2-CD1 3.89Å; F298-Y328 HydrophobicContact CE2-CD1 3.89Å; F298-Y328 AromaticContact CE2-CE1 3.81Å; F298-Y328 HydrophobicContact CE2-CE1 3.81Å; I302-Y328 WeakPolarHBondContact CA-OH 3.13Å; I302-Y328 HydrophobicContact CB-CE1 4.07Å; I302-Y328 HydrophobicContact CB-CE2 4.44Å; I302-Y328 WeakPolarHBondContact CB-OH 3.21Å; I302-Y328 HydrophobicContact CD1-CE1 4.26Å; I302-Y328 HydrophobicContact CG1-CE1 4.15Å; I302-Y328 HydrophobicContact CG1-CE2 4.06Å; I302-Y328 PolarHBondContact N-OH 3.2Å; M305-Y328 HydrophobicContact SD-CE2 4.05Å; S324-Y328 WeakPolarHBondContact O-CD2 3.21Å; S324-Y328 WeakPolarHBondContact O-CE2 3.31Å; S325-Y328 PolarHBondContact O-N 2.74Å; S325-Y328 VanDerWaalsContact O-N 3.12Å; I326-Y328 VanDerWaalsContact C-N 3.26Å; I326-Y328 PolarHBondContact O-N 3.26Å; Y328-S332 PolarHBondContact O-N 2.85Å; Y328-S332 VanDerWaalsContact O-N 3.1Å; Y328-S332 PolarHBondContact O-OG 3.37Å; Y328-I393 HydrophobicContact CD1-CG2 4.1Å; Y328-I393 HydrophobicContact CE1-CG2 4.08Å
329I90.8Very high89.6Confident65 Ų6540.7 Ų40.733%0.33322%0.223SC..Hα-helixtrans-63.7-47.7167.9-61.3171.9000109.2V154 V158 S325 I326 Q331 S332 I333V154-I329 HydrophobicContact CG1-CG1 4.41Å; V158-I329 HydrophobicContact CG1-CD1 4.29Å; V158-I329 HydrophobicContact CG2-CD1 3.64Å; V158-I329 HydrophobicContact CG2-CG1 3.53Å; S325-I329 PolarHBondContact O-N 2.94Å; I326-I329 WeakPolarHBondContact O-CB 3.33Å; I326-I329 PolarHBondContact O-N 2.88Å; I329-Q331 VanDerWaalsContact C-N 3.33Å; I329-Q331 PolarHBondContact O-N 3.17Å; I329-S332 WeakPolarHBondContact O-CB 3.41Å; I329-S332 PolarHBondContact O-N 2.88Å; I329-S332 VanDerWaalsContact O-N 3.08Å; I329-I333 HydrophobicContact CG2-CD1 4.01Å; I329-I333 PolarHBondContact O-N 3.1Å
330A93Very high89.9Confident26 Ų2644.4 Ų44.422%0.21523%0.234CC..Hα-helixtrans-57.6-45.4176.800000111.6I326 P327 S332 I333 V334I326-A330 PolarHBondContact O-N 3.39Å; P327-A330 PolarHBondContact O-N 3.01Å; A330-S332 VanDerWaalsContact C-N 3.26Å; A330-S332 PolarHBondContact O-N 2.95Å; A330-I333 PolarHBondContact O-N 3.1Å; A330-V334 WeakPolarHBondContact O-CB 3.34Å; A330-V334 VanDerWaalsContact O-CG2 3.26Å; A330-V334 WeakPolarHBondContact O-CG2 3.28Å; A330-V334 PolarHBondContact O-N 3.03Å
331Q92.8Very high90.3Very high22 Ų2248.3 Ų48.310%0.10325%0.254CS..Hα-helixtrans-54.7-42.4174.2-174.4-177.227.100112.4P327 I329 S335 I393P327-Q331 PolarHBondContact O-N 2.71Å; I329-Q331 VanDerWaalsContact C-N 3.33Å; I329-Q331 PolarHBondContact O-N 3.17Å; Q331-S335 VanDerWaalsContact O-CB 3.29Å; Q331-S335 WeakPolarHBondContact O-CB 3.32Å; Q331-S335 PolarHBondContact O-N 3.17Å; Q331-I393 HydrophobicContact CB-CG2 4.16Å; Q331-I393 WeakPolarHBondContact CB-O 3.35Å; Q331-I393 WeakPolarHBondContact CG-O 3.39Å
332S89.6Confident90.9Very high31 Ų3148.4 Ų48.422%0.21726%0.255CS..Hα-helixtrans-68.1-46-177.5-56.50000111.4V154 Y328 I329 A330 S335 L336V154-S332 WeakPolarHBondContact CG1-OG 3.47Å; V154-S332 WeakPolarHBondContact CG2-OG 3.24Å; Y328-S332 PolarHBondContact O-N 2.85Å; Y328-S332 VanDerWaalsContact O-N 3.1Å; Y328-S332 PolarHBondContact O-OG 3.37Å; I329-S332 WeakPolarHBondContact O-CB 3.41Å; I329-S332 PolarHBondContact O-N 2.88Å; I329-S332 VanDerWaalsContact O-N 3.08Å; A330-S332 VanDerWaalsContact C-N 3.26Å; A330-S332 PolarHBondContact O-N 2.95Å; S332-S335 PolarHBondContact O-N 3.39Å; S332-S335 PolarHBondContact O-OG 3.38Å; S332-L336 PolarHBondContact O-N 3.27Å
333I91.8Very high91Very high98 Ų9848.7 Ų48.750%0.50326%0.257SS..Hα-helixtrans-61.9-48.2175.8-64.4170.3000110.4I329 A330 S335 L336 L337I329-I333 HydrophobicContact CG2-CD1 4.01Å; I329-I333 PolarHBondContact O-N 3.1Å; A330-I333 PolarHBondContact O-N 3.1Å; I333-S335 VanDerWaalsContact C-N 3.29Å; I333-S335 PolarHBondContact O-N 3.1Å; I333-L336 PolarHBondContact O-N 3.3Å; I333-L337 HydrophobicContact CG2-CD1 4.2Å; I333-L337 WeakPolarHBondContact O-CG 3.11Å; I333-L337 PolarHBondContact O-N 3.29Å; I333-L337 VanDerWaalsContact O-N 3.16Å
334V94.2Very high91.1Very high37 Ų3751.2 Ų51.222%0.22427%0.266CS..Hα-helixtrans-62.7-36.3179173.70000111.4A330 L336 L337 A338 G394 F398A330-V334 WeakPolarHBondContact O-CB 3.34Å; A330-V334 VanDerWaalsContact O-CG2 3.26Å; A330-V334 WeakPolarHBondContact O-CG2 3.28Å; A330-V334 PolarHBondContact O-N 3.03Å; V334-L336 VanDerWaalsContact C-N 3.33Å; V334-L336 PolarHBondContact O-N 2.93Å; V334-L337 PolarHBondContact O-N 3.45Å; V334-A338 VanDerWaalsContact O-CB 3.23Å; V334-A338 WeakPolarHBondContact O-CB 3.37Å; V334-A338 PolarHBondContact O-N 2.98Å; V334-G394 VanDerWaalsContact CB-O 3.3Å; V334-G394 WeakPolarHBondContact CB-O 3.36Å; V334-G394 WeakPolarHBondContact CG1-O 3.5Å; V334-F398 HydrophobicContact CG1-CD2 3.74Å; V334-F398 HydrophobicContact CG1-CE2 3.57Å
335S91.1Very high91.4Very high20 Ų2052.7 Ų52.714%0.1427%0.274CS..Hα-helixtrans-62.7-37.6177.475.40000113Q331 S332 I333 A339 G397Q331-S335 VanDerWaalsContact O-CB 3.29Å; Q331-S335 WeakPolarHBondContact O-CB 3.32Å; Q331-S335 PolarHBondContact O-N 3.17Å; S332-S335 PolarHBondContact O-N 3.39Å; S332-S335 PolarHBondContact O-OG 3.38Å; I333-S335 VanDerWaalsContact C-N 3.29Å; I333-S335 PolarHBondContact O-N 3.1Å; S335-A339 WeakPolarHBondContact O-CB 3.42Å; S335-A339 PolarHBondContact O-N 3.49Å; S335-G397 WeakPolarHBondContact CA-O 3.41Å; S335-G397 WeakPolarHBondContact CB-O 3.43Å
336L89.4Confident91.6Very high102 Ų10254.3 Ų54.353%0.53428%0.282SS..Hα-helixtrans-69-43.2176-66.1174.2000111.4T147 S332 I333 V334 A339 Y340T147-L336 HydrophobicContact CG2-CD2 3.75Å; S332-L336 PolarHBondContact O-N 3.27Å; I333-L336 PolarHBondContact O-N 3.3Å; V334-L336 VanDerWaalsContact C-N 3.33Å; V334-L336 PolarHBondContact O-N 2.93Å; L336-A339 PolarHBondContact O-N 3.45Å; L336-Y340 PolarHBondContact O-N 3.09Å; L336-Y340 VanDerWaalsContact O-N 3.11Å
337L92.3Very high91.5Very high113 Ų11354.7 Ų54.759%0.59230%0.295SS*.Hα-helixtrans-64.5-42.4176.4-65.2175.3000111.6I333 V334 A339 Y340 L341I333-L337 HydrophobicContact CG2-CD1 4.2Å; I333-L337 WeakPolarHBondContact O-CG 3.11Å; I333-L337 PolarHBondContact O-N 3.29Å; I333-L337 VanDerWaalsContact O-N 3.16Å; V334-L337 PolarHBondContact O-N 3.45Å; L337-A339 VanDerWaalsContact C-N 3.33Å; L337-A339 PolarHBondContact O-N 3.29Å; L337-Y340 PolarHBondContact O-N 3.05Å; L337-L341 WeakPolarHBondContact O-CB 3.26Å; L337-L341 PolarHBondContact O-N 3.45Å
338A93.6Very high91.5Very high0 Ų061 Ų610%032%0.323CS..Hα-helixtrans-63.5-38.2176.900000111.9V334 S342 F398V334-A338 VanDerWaalsContact O-CB 3.23Å; V334-A338 WeakPolarHBondContact O-CB 3.37Å; V334-A338 PolarHBondContact O-N 2.98Å; A338-S342 VanDerWaalsContact O-CB 3.26Å; A338-S342 WeakPolarHBondContact O-CB 3.14Å; A338-S342 PolarHBondContact O-N 3.09Å; A338-S342 PolarHBondContact O-OG 3.45Å; A338-F398 HydrophobicContact CB-CB 4.45Å; A338-F398 HydrophobicContact CB-CD1 3.58Å; A338-F398 HydrophobicContact CB-CD2 4.15Å; A338-F398 HydrophobicContact CB-CE1 3.74Å; A338-F398 HydrophobicContact CB-CE2 4.29Å; A338-F398 HydrophobicContact CB-CG 3.81Å; A338-F398 HydrophobicContact CB-CZ 4.09Å
339A88.5Confident91.5Very high34 Ų3468.5 Ų68.528%0.28136%0.358SS..Hα-helixtrans-63.2-50.417500000111.5S335 L336 L337 L341 S342 D343 S401S335-A339 WeakPolarHBondContact O-CB 3.42Å; S335-A339 PolarHBondContact O-N 3.49Å; L336-A339 PolarHBondContact O-N 3.45Å; L337-A339 VanDerWaalsContact C-N 3.33Å; L337-A339 PolarHBondContact O-N 3.29Å; A339-L341 PolarHBondContact O-N 2.77Å; A339-S342 PolarHBondContact O-N 3.46Å; A339-D343 PolarHBondContact O-N 2.81Å; A339-S401 WeakPolarHBondContact CA-OG 3.09Å; A339-S401 PolarHBondContact N-OG 3.15Å
340Y89.9Confident91.5Very high176 Ų17672 Ų7269%0.6937%0.371SS*.Hα-helixtrans-59.8-44.9177.1-178.3-96.1000112.3L336 L337 S342 D343 F344L336-Y340 PolarHBondContact O-N 3.09Å; L336-Y340 VanDerWaalsContact O-N 3.11Å; L337-Y340 PolarHBondContact O-N 3.05Å; Y340-S342 PolarHBondContact O-N 2.69Å; Y340-D343 PolarHBondContact O-N 3.38Å; Y340-F344 WeakPolarHBondContact O-CB 3.44Å; Y340-F344 PolarHBondContact O-N 3.5Å
341L93.6Very high91.5Very high82 Ų8273.9 Ų73.943%0.42938%0.377SS..Hα-helixtrans-62.5-42.3177.5179.361.1000111.8L337 A339 F344 L345L337-L341 WeakPolarHBondContact O-CB 3.26Å; L337-L341 PolarHBondContact O-N 3.45Å; A339-L341 PolarHBondContact O-N 2.77Å; L341-F344 PolarHBondContact O-N 3.47Å; L341-L345 HydrophobicContact CD1-CD1 4.1Å; L341-L345 HydrophobicContact CD1-CG 4.18Å; L341-L345 HydrophobicContact CG-CD1 3.96Å; L341-L345 HydrophobicContact CG-CG 4.46Å; L341-L345 WeakPolarHBondContact O-CB 3.33Å; L341-L345 VanDerWaalsContact O-CG 3.23Å; L341-L345 WeakPolarHBondContact O-CG 3.48Å; L341-L345 PolarHBondContact O-N 3.35Å
342S92.8Very high91.6Very high1 Ų175.8 Ų75.81%0.00739%0.393CS..Hα-helixtrans-62.7-47.1178.7-61.40000111.6A338 A339 Y340 F344 L345 I346 N360 S401A338-S342 VanDerWaalsContact O-CB 3.26Å; A338-S342 WeakPolarHBondContact O-CB 3.14Å; A338-S342 PolarHBondContact O-N 3.09Å; A338-S342 PolarHBondContact O-OG 3.45Å; A339-S342 PolarHBondContact O-N 3.46Å; Y340-S342 PolarHBondContact O-N 2.69Å; S342-F344 VanDerWaalsContact C-N 3.33Å; S342-F344 PolarHBondContact O-N 3.42Å; S342-L345 PolarHBondContact O-N 2.95Å; S342-I346 VanDerWaalsContact O-CG1 3.25Å; S342-I346 WeakPolarHBondContact O-CG1 3.37Å; S342-I346 PolarHBondContact O-N 2.99Å; S342-N360 PolarHBondContact OG-ND2 3.17Å; S342-S401 WeakPolarHBondContact OG-CB 3.49Å
343D89.5Confident91.7Very high103 Ų10376.1 Ų76.155%0.55139%0.394SS*.Hα-helixtrans-64.2-39.8178.5-70.7-12.3000111.1A339 Y340 I346 A347A339-D343 PolarHBondContact O-N 2.81Å; Y340-D343 PolarHBondContact O-N 3.38Å; D343-I346 PolarHBondContact O-N 2.7Å; D343-A347 WeakPolarHBondContact O-CB 3.34Å; D343-A347 PolarHBondContact O-N 3.16Å
344F91.7Very high91.8Very high86 Ų8672.6 Ų72.638%0.37738%0.376SS..Hα-helixtrans-61.2-47.5174.8176-95.3000112.3Y340 L341 S342 I346 A347 K348 F350Y340-F344 WeakPolarHBondContact O-CB 3.44Å; Y340-F344 PolarHBondContact O-N 3.5Å; L341-F344 PolarHBondContact O-N 3.47Å; S342-F344 VanDerWaalsContact C-N 3.33Å; S342-F344 PolarHBondContact O-N 3.42Å; F344-I346 VanDerWaalsContact C-N 3.32Å; F344-I346 PolarHBondContact O-N 3.33Å; F344-A347 PolarHBondContact O-N 3.21Å; F344-K348 HydrophobicContact CD2-CG 4.17Å; F344-K348 HydrophobicContact CE1-CG 4.43Å; F344-K348 HydrophobicContact CE2-CG 3.85Å; F344-K348 HydrophobicContact CZ-CG 3.99Å; F344-K348 WeakPolarHBondContact O-CB 3.31Å; F344-K348 WeakPolarHBondContact O-CG 3.18Å; F344-K348 PolarHBondContact O-N 3.12Å; F344-F350 HydrophobicContact CE1-CD2 4.26Å; F344-F350 AromaticContact CE1-CE2 3.98Å; F344-F350 HydrophobicContact CE1-CE2 3.98Å; F344-F350 HydrophobicContact CZ-CE2 4.24Å
345L94.1Very high91.8Very high33 Ų3373.3 Ų73.317%0.17338%0.383CS..Hα-helixtrans-63-38.6-180-71.2168.9000112.2L341 S342 H349 F350 L351 V356L341-L345 HydrophobicContact CD1-CD1 4.1Å; L341-L345 HydrophobicContact CD1-CG 4.18Å; L341-L345 HydrophobicContact CG-CD1 3.96Å; L341-L345 HydrophobicContact CG-CG 4.46Å; L341-L345 WeakPolarHBondContact O-CB 3.33Å; L341-L345 VanDerWaalsContact O-CG 3.23Å; L341-L345 WeakPolarHBondContact O-CG 3.48Å; L341-L345 PolarHBondContact O-N 3.35Å; S342-L345 PolarHBondContact O-N 2.95Å; L345-H349 PolarHBondContact O-N 3.12Å; L345-F350 HydrophobicContact CD2-CB 4.13Å; L345-F350 HydrophobicContact CD2-CD2 4.37Å; L345-F350 PolarHBondContact O-N 2.68Å; L345-L351 HydrophobicContact CD1-CD1 4.32Å; L345-L351 PolarHBondContact O-N 3.17Å; L345-V356 HydrophobicContact CB-CG2 4.13Å
346I90.7Very high92.1Very high36 Ų3672.4 Ų72.419%0.18538%0.377CS..Hα-helixtrans-72.9-48.1177.6-65.1168.4000110.5S342 D343 F344 K348 H349 T353 V356S342-I346 VanDerWaalsContact O-CG1 3.25Å; S342-I346 WeakPolarHBondContact O-CG1 3.37Å; S342-I346 PolarHBondContact O-N 2.99Å; D343-I346 PolarHBondContact O-N 2.7Å; F344-I346 VanDerWaalsContact C-N 3.32Å; F344-I346 PolarHBondContact O-N 3.33Å; I346-K348 VanDerWaalsContact C-N 3.29Å; I346-K348 PolarHBondContact O-N 3.11Å; I346-H349 PolarHBondContact O-N 3.3Å; I346-T353 HydrophobicContact CD1-CG2 4.27Å; I346-V356 HydrophobicContact CD1-CB 4.26Å; I346-V356 HydrophobicContact CD1-CG1 4.17Å; I346-V356 HydrophobicContact CD1-CG2 4.44Å; I346-V356 HydrophobicContact CG1-CB 4.2Å; I346-V356 HydrophobicContact CG1-CG1 4.39Å; I346-V356 HydrophobicContact CG1-CG2 3.84Å
347A89.4Confident92.4Very high74 Ų7468.1 Ų68.161%0.61235%0.354SS*.Hα-helixtrans-66.1-30.7-176.700000113D343 F344 H349D343-A347 WeakPolarHBondContact O-CB 3.34Å; D343-A347 PolarHBondContact O-N 3.16Å; F344-A347 PolarHBondContact O-N 3.21Å; A347-H349 VanDerWaalsContact C-N 3.29Å
348K92.7Very high92.6Very high132 Ų13265.5 Ų65.557%0.57434%0.337SS*.THydrogen-bonded Turntrans-86.12.3173.3-66.6-63.1-174.5-178.30113.6F344 I346 F350F344-K348 HydrophobicContact CD2-CG 4.17Å; F344-K348 HydrophobicContact CE1-CG 4.43Å; F344-K348 HydrophobicContact CE2-CG 3.85Å; F344-K348 HydrophobicContact CZ-CG 3.99Å; F344-K348 WeakPolarHBondContact O-CB 3.31Å; F344-K348 WeakPolarHBondContact O-CG 3.18Å; F344-K348 PolarHBondContact O-N 3.12Å; I346-K348 VanDerWaalsContact C-N 3.29Å; I346-K348 PolarHBondContact O-N 3.11Å; K348-F350 HydrophobicContact CB-CD2 3.48Å; K348-F350 VanDerWaalsContact CB-CD2 3.48Å; K348-F350 HydrophobicContact CB-CE2 3.58Å; K348-F350 HydrophobicContact CB-CG 4.35Å; K348-F350 HydrophobicContact CG-CD2 4.36Å; K348-F350 HydrophobicContact CG-CE2 4.11Å; K348-F350 PolarHBondContact O-N 3.01Å; K348-F350 VanDerWaalsContact O-N 3.12Å
349H89.7Confident92.8Very high168 Ų16869.1 Ų69.178%0.77836%0.356SS*.THydrogen-bonded Turntrans54.625.1-176.9-59.9-69000114.1L345 I346 A347 L351L345-H349 PolarHBondContact O-N 3.12Å; I346-H349 PolarHBondContact O-N 3.3Å; A347-H349 VanDerWaalsContact C-N 3.29Å; H349-L351 VanDerWaalsContact C-N 3.31Å
350F91.7Very high93.2Very high138 Ų13867.7 Ų67.761%0.60534%0.344SS*.SBendtrans-67.3-36.9174.6-77.4-58.1000111.3F344 L345 K348F344-F350 HydrophobicContact CE1-CD2 4.26Å; F344-F350 AromaticContact CE1-CE2 3.98Å; F344-F350 HydrophobicContact CE1-CE2 3.98Å; F344-F350 HydrophobicContact CZ-CE2 4.24Å; L345-F350 HydrophobicContact CD2-CB 4.13Å; L345-F350 HydrophobicContact CD2-CD2 4.37Å; L345-F350 PolarHBondContact O-N 2.68Å; K348-F350 HydrophobicContact CB-CD2 3.48Å; K348-F350 VanDerWaalsContact CB-CD2 3.48Å; K348-F350 HydrophobicContact CB-CE2 3.58Å; K348-F350 HydrophobicContact CB-CG 4.35Å; K348-F350 HydrophobicContact CG-CD2 4.36Å; K348-F350 HydrophobicContact CG-CE2 4.11Å; K348-F350 PolarHBondContact O-N 3.01Å; K348-F350 VanDerWaalsContact O-N 3.12Å
351L93.2Very high93.6Very high65 Ų6559.3 Ų59.334%0.3431%0.311SS..SBendtrans-137146.5178-67.7177000109.9L345 H349 V356 L359L345-L351 HydrophobicContact CD1-CD1 4.32Å; L345-L351 PolarHBondContact O-N 3.17Å; H349-L351 VanDerWaalsContact C-N 3.31Å; L351-V356 HydrophobicContact CB-CG2 3.55Å; L351-V356 HydrophobicContact CD1-CG2 4.1Å; L351-V356 HydrophobicContact CG-CG2 4.49Å; L351-L359 HydrophobicContact CD1-CD2 4.28Å
352S94Very high93.8Very high62 Ų6257.5 Ų57.543%0.43430%0.303SS..  trans-65.6154.3170.277.30000110.8T354 S355 V356S352-T354 PolarHBondContact O-N 2.93Å; S352-S355 WeakPolarHBondContact O-CB 3.28Å; S352-S355 PolarHBondContact O-N 3.41Å; S352-S355 WeakPolarHBondContact OG-CB 3.49Å; S352-S355 PolarHBondContact OG-N 2.75Å; S352-S355 PolarHBondContact OG-OG 2.93Å; S352-V356 WeakPolarHBondContact O-CG2 3.32Å; S352-V356 PolarHBondContact O-N 3.48Å
353T90.9Very high94Very high39 Ų3959.9 Ų59.924%0.23932%0.315CS..Hα-helixtrans-51.5-45.8173.7-52.10000111I346 S355 V356 R357 D409I346-T353 HydrophobicContact CD1-CG2 4.27Å; T353-S355 PolarHBondContact O-N 3.32Å; T353-V356 PolarHBondContact O-N 2.83Å; T353-R357 HydrophobicContact CG2-CG 4.38Å; T353-R357 VanDerWaalsContact O-CG 3.31Å; T353-R357 WeakPolarHBondContact O-CG 3.4Å; T353-R357 PolarHBondContact O-N 3.44Å; T353-D409 HydrophobicContact CG2-CB 4.32Å; T353-D409 WeakPolarHBondContact CG2-OD2 3.48Å
354T94.2Very high94.4Very high23 Ų2355 Ų5514%0.14129%0.289CS..Hα-helixtrans-56.4-47.6175.9-57.80000112.4S352 R357 K358 T472 G474S352-T354 PolarHBondContact O-N 2.93Å; T354-R357 PolarHBondContact O-N 3.07Å; T354-K358 HydrophobicContact CG2-CD 4.22Å; T354-K358 WeakPolarHBondContact O-CB 3.44Å; T354-K358 WeakPolarHBondContact O-CG 3.48Å; T354-K358 PolarHBondContact O-N 3.17Å; T354-T472 WeakPolarHBondContact CG2-O 3.07Å; T354-G474 PolarHBondContact OG1-N 3.18Å
355S95.6Very high94.7Very high53 Ų5350.9 Ų50.937%0.37127%0.271SS..Hα-helixtrans-63.5-41.8179.4-590000111.6S352 T353 K358 L359S352-S355 WeakPolarHBondContact O-CB 3.28Å; S352-S355 PolarHBondContact O-N 3.41Å; S352-S355 WeakPolarHBondContact OG-CB 3.49Å; S352-S355 PolarHBondContact OG-N 2.75Å; S352-S355 PolarHBondContact OG-OG 2.93Å; T353-S355 PolarHBondContact O-N 3.32Å; S355-K358 PolarHBondContact O-N 3.31Å; S355-L359 VanDerWaalsContact O-CB 3.28Å; S355-L359 WeakPolarHBondContact O-CB 3.37Å; S355-L359 PolarHBondContact O-N 2.87Å
356V95.9Very high94.9Very high0 Ų049.5 Ų49.50%027%0.265CS..Hα-helixtrans-63.9-45.9176.4174.40000111L345 I346 L351 S352 T353 K358 L359 N360L345-V356 HydrophobicContact CB-CG2 4.13Å; I346-V356 HydrophobicContact CD1-CB 4.26Å; I346-V356 HydrophobicContact CD1-CG1 4.17Å; I346-V356 HydrophobicContact CD1-CG2 4.44Å; I346-V356 HydrophobicContact CG1-CB 4.2Å; I346-V356 HydrophobicContact CG1-CG1 4.39Å; I346-V356 HydrophobicContact CG1-CG2 3.84Å; L351-V356 HydrophobicContact CB-CG2 3.55Å; L351-V356 HydrophobicContact CD1-CG2 4.1Å; L351-V356 HydrophobicContact CG-CG2 4.49Å; S352-V356 WeakPolarHBondContact O-CG2 3.32Å; S352-V356 PolarHBondContact O-N 3.48Å; T353-V356 PolarHBondContact O-N 2.83Å; V356-K358 PolarHBondContact O-N 3.28Å; V356-L359 PolarHBondContact O-N 3.14Å; V356-N360 WeakPolarHBondContact O-CB 3.45Å; V356-N360 PolarHBondContact O-N 2.7Å; V356-N360 PolarHBondContact O-ND2 3.46Å
357R96Very high95.2Very high13 Ų1348.7 Ų48.75%0.04927%0.265CS..Hα-helixtrans-62.1-43.3177.1-61.3-38.8176.9-144.3-8.9111.9T353 T354 N361 S401 N406 D409 T472T353-R357 HydrophobicContact CG2-CG 4.38Å; T353-R357 VanDerWaalsContact O-CG 3.31Å; T353-R357 WeakPolarHBondContact O-CG 3.4Å; T353-R357 PolarHBondContact O-N 3.44Å; T354-R357 PolarHBondContact O-N 3.07Å; R357-N361 PolarHBondContact O-N 3.26Å; R357-N361 VanDerWaalsContact O-N 3.09Å; R357-N361 PolarHBondContact O-ND2 3.03Å; R357-S401 WeakPolarHBondContact CD-O 3.37Å; R357-S401 PolarHBondContact NH1-O 3.22Å; R357-N406 HydrophobicContact CG-CB 4.38Å; R357-D409 IonicContact CZ-OD2 2.82Å; R357-D409 VanDerWaalsContact CZ-OD2 3.23Å; R357-D409 IonicContact NE-OD2 2.78Å; R357-D409 PolarHBondContact NE-OD2 2.05Å; R357-D409 IonicContact NH2-OD1 3.05Å; R357-D409 IonicContact NH2-OD2 3.17Å; R357-D409 PolarHBondContact NH2-OD2 3.42Å; R357-T472 HydrophobicContact CB-CG2 3.83Å
358K97.7Very high95.5Very high57 Ų5745.1 Ų45.125%0.24824%0.236CC..Hα-helixtrans-60.1-50.3176.3-77.1-177.6-176.3-1670111.4T354 S355 V356 N361 V362 N468 L469 T472T354-K358 HydrophobicContact CG2-CD 4.22Å; T354-K358 WeakPolarHBondContact O-CB 3.44Å; T354-K358 WeakPolarHBondContact O-CG 3.48Å; T354-K358 PolarHBondContact O-N 3.17Å; S355-K358 PolarHBondContact O-N 3.31Å; V356-K358 PolarHBondContact O-N 3.28Å; K358-N361 PolarHBondContact O-N 3.21Å; K358-V362 VanDerWaalsContact O-CG2 3.24Å; K358-V362 WeakPolarHBondContact O-CG2 3.27Å; K358-V362 PolarHBondContact O-N 2.77Å; K358-N468 PolarHBondContact O-ND2 3.29Å; K358-L469 VanDerWaalsContact CE-O 3.31Å; K358-L469 WeakPolarHBondContact CE-O 3.36Å; K358-L469 PolarHBondContact NZ-O 2.94Å; K358-T472 WeakPolarHBondContact CE-O 3.42Å; K358-T472 HydrophobicContact CG-CG2 3.9Å
359L97.2Very high95.7Very high77 Ų7738.9 Ų38.940%0.40321%0.209SC..Hα-helixtrans-59.6-49.2179.9178.562.2000111.4L351 S355 V356 N361 V362 I363L351-L359 HydrophobicContact CD1-CD2 4.28Å; S355-L359 VanDerWaalsContact O-CB 3.28Å; S355-L359 WeakPolarHBondContact O-CB 3.37Å; S355-L359 PolarHBondContact O-N 2.87Å; V356-L359 PolarHBondContact O-N 3.14Å; L359-N361 VanDerWaalsContact C-N 3.34Å; L359-N361 PolarHBondContact O-N 3.21Å; L359-V362 PolarHBondContact O-N 3.14Å; L359-V362 VanDerWaalsContact O-N 3.13Å; L359-I363 HydrophobicContact CD1-CD1 4Å; L359-I363 HydrophobicContact CD1-CG1 4.26Å; L359-I363 HydrophobicContact CG-CD1 3.87Å; L359-I363 WeakPolarHBondContact O-CG1 3.3Å; L359-I363 PolarHBondContact O-N 3.35Å
360N97.3Very high96Very high4 Ų435.9 Ų35.92%0.02120%0.198CC..Hα-helixtrans-59.8-42.8-179.8-73.8-12000112.4S342 V356 I363 A364 F398 S401S342-N360 PolarHBondContact OG-ND2 3.17Å; V356-N360 WeakPolarHBondContact O-CB 3.45Å; V356-N360 PolarHBondContact O-N 2.7Å; V356-N360 PolarHBondContact O-ND2 3.46Å; N360-I363 PolarHBondContact O-N 3.45Å; N360-A364 VanDerWaalsContact O-CB 3.31Å; N360-A364 WeakPolarHBondContact O-CB 3.37Å; N360-A364 PolarHBondContact O-N 3.05Å; N360-F398 HydrophobicContact CB-CB 4.43Å; N360-F398 HydrophobicContact CB-CD1 4.5Å; N360-F398 WeakPolarHBondContact OD1-CD1 3.34Å; N360-S401 WeakPolarHBondContact ND2-CB 3.22Å; N360-S401 PolarHBondContact ND2-O 3.06Å
361N97.6Very high96.2Very high0 Ų029.7 Ų29.70%017%0.173CC..Hα-helixtrans-66.6-35.4176.2-77.9-29000112.6R357 K358 L359 L365 G402 Y403 N468R357-N361 PolarHBondContact O-N 3.26Å; R357-N361 VanDerWaalsContact O-N 3.09Å; R357-N361 PolarHBondContact O-ND2 3.03Å; K358-N361 PolarHBondContact O-N 3.21Å; L359-N361 VanDerWaalsContact C-N 3.34Å; L359-N361 PolarHBondContact O-N 3.21Å; N361-L365 WeakPolarHBondContact O-CB 3.08Å; N361-L365 PolarHBondContact O-N 3.28Å; N361-G402 WeakPolarHBondContact OD1-CA 3.37Å; N361-Y403 PolarHBondContact ND2-N 3.47Å; N361-Y403 PolarHBondContact OD1-N 3.03Å; N361-N468 HydrophobicContact CB-CB 4.23Å; N361-N468 VanDerWaalsContact CB-CG 3.41Å; N361-N468 VanDerWaalsContact CB-OD1 3.31Å; N361-N468 WeakPolarHBondContact CB-OD1 3.32Å; N361-N468 PolarHBondContact ND2-OD1 3.26Å
362V98Very high96.3Very high43 Ų4326.6 Ų26.626%0.26116%0.157SC..Iπ-helixtrans-68-43175.3171.30000110.9K358 L359 G366 G367 L469K358-V362 VanDerWaalsContact O-CG2 3.24Å; K358-V362 WeakPolarHBondContact O-CG2 3.27Å; K358-V362 PolarHBondContact O-N 2.77Å; L359-V362 PolarHBondContact O-N 3.14Å; L359-V362 VanDerWaalsContact O-N 3.13Å; V362-G366 WeakPolarHBondContact O-CA 3.45Å; V362-G366 PolarHBondContact O-N 2.91Å; V362-G367 PolarHBondContact O-N 3.43Å; V362-L469 HydrophobicContact CG2-CD2 3.6Å; V362-L469 HydrophobicContact CG2-CG 4.22Å
363I97.7Very high96.4Very high51 Ų5127 Ų2726%0.26215%0.153SC..Iπ-helixtrans-61.8-47.5175-66.9168.6000110L359 N360 G367 L395 F398L359-I363 HydrophobicContact CD1-CD1 4Å; L359-I363 HydrophobicContact CD1-CG1 4.26Å; L359-I363 HydrophobicContact CG-CD1 3.87Å; L359-I363 WeakPolarHBondContact O-CG1 3.3Å; L359-I363 PolarHBondContact O-N 3.35Å; N360-I363 PolarHBondContact O-N 3.45Å; I363-G367 VanDerWaalsContact O-CA 3.22Å; I363-G367 WeakPolarHBondContact O-CA 3.44Å; I363-G367 PolarHBondContact O-N 3.24Å; I363-L395 HydrophobicContact CG2-CD2 3.97Å; I363-F398 HydrophobicContact CB-CB 4.45Å; I363-F398 HydrophobicContact CB-CD1 4.45Å; I363-F398 HydrophobicContact CB-CG 4.27Å; I363-F398 HydrophobicContact CD1-CD1 4.17Å; I363-F398 HydrophobicContact CD1-CE1 4.09Å; I363-F398 HydrophobicContact CG2-CB 4.25Å; I363-F398 HydrophobicContact CG2-CD1 4.18Å; I363-F398 HydrophobicContact CG2-CD2 3.65Å; I363-F398 HydrophobicContact CG2-CE1 4.47Å; I363-F398 HydrophobicContact CG2-CE2 3.97Å; I363-F398 HydrophobicContact CG2-CG 3.76Å; I363-F398 HydrophobicContact CG2-CZ 4.38Å
364A97.5Very high96.5Very high0 Ų027.1 Ų27.10%016%0.156CC..Iπ-helixtrans-65-54.5-177.700000112.5N360 L368 L395 F398N360-A364 VanDerWaalsContact O-CB 3.31Å; N360-A364 WeakPolarHBondContact O-CB 3.37Å; N360-A364 PolarHBondContact O-N 3.05Å; A364-L368 WeakPolarHBondContact O-CB 3.38Å; A364-L368 PolarHBondContact O-N 3.37Å; A364-L368 VanDerWaalsContact O-N 3.16Å; A364-L395 WeakPolarHBondContact CA-O 3.43Å; A364-F398 HydrophobicContact CB-CB 4.04Å
365L97.9Very high96.4Very high1 Ų126 Ų261%0.00515%0.149CC..Iπ-helixtrans-85.7-39.9-173.7-66.3176.4000112.7C290 C293 F294 N361 L368 G369 A461 A465C290-L365 HydrophobicContact CB-CD1 4.22Å; C293-L365 HydrophobicContact CB-CD1 4.35Å; C293-L365 HydrophobicContact CB-CD2 4.23Å; F294-L365 HydrophobicContact CB-CD2 4.07Å; N361-L365 WeakPolarHBondContact O-CB 3.08Å; N361-L365 PolarHBondContact O-N 3.28Å; L365-L368 HydrophobicContact CD2-CD2 4.42Å; L365-G369 PolarHBondContact O-N 3.3Å; L365-A461 WeakPolarHBondContact CB-O 3.41Å; L365-A461 WeakPolarHBondContact O-CB 3.48Å; L365-A465 HydrophobicContact CB-CB 3.94Å
366G97.3Very high96Very high4 Ų424.2 Ų24.24%0.04114%0.136CC..Iπ-helixtrans-69.1-42.7175.100000111.9V362 L368 G369 L370V362-G366 WeakPolarHBondContact O-CA 3.45Å; V362-G366 PolarHBondContact O-N 2.91Å; G366-L368 VanDerWaalsContact C-N 3.34Å; G366-L368 PolarHBondContact O-N 3.22Å; G366-G369 PolarHBondContact O-N 3.45Å; G366-L370 WeakPolarHBondContact O-CB 3.39Å; G366-L370 PolarHBondContact O-N 3.49Å
367G96.9Very high95.7Very high18 Ų1830.2 Ų30.219%0.18617%0.168CC..Hα-helixtrans-62.6-40.1173.400000112.5V362 I363 G371V362-G367 PolarHBondContact O-N 3.43Å; I363-G367 VanDerWaalsContact O-CA 3.22Å; I363-G367 WeakPolarHBondContact O-CA 3.44Å; I363-G367 PolarHBondContact O-N 3.24Å; G367-G371 WeakPolarHBondContact O-CA 3.43Å; G367-G371 PolarHBondContact O-N 3.15Å
368L96.8Very high95.3Very high0 Ų031.2 Ų31.20%018%0.175CC..Hα-helixtrans-59.8-48.5170.8171.365.1000112.3S297 L301 A364 L365 G366 G371 L372 T392 M396 A461S297-L368 VanDerWaalsContact CB-CD2 3.46Å; L301-L368 HydrophobicContact CD1-CD1 4.36Å; A364-L368 WeakPolarHBondContact O-CB 3.38Å; A364-L368 PolarHBondContact O-N 3.37Å; A364-L368 VanDerWaalsContact O-N 3.16Å; L365-L368 HydrophobicContact CD2-CD2 4.42Å; G366-L368 VanDerWaalsContact C-N 3.34Å; G366-L368 PolarHBondContact O-N 3.22Å; L368-G371 PolarHBondContact O-N 3.27Å; L368-L372 HydrophobicContact CD1-CD1 3.78Å; L368-L372 HydrophobicContact CD1-CG 3.93Å; L368-L372 HydrophobicContact CG-CD1 4.21Å; L368-L372 WeakPolarHBondContact O-CB 3.38Å; L368-L372 WeakPolarHBondContact O-CG 3.42Å; L368-L372 PolarHBondContact O-N 2.85Å; L368-T392 HydrophobicContact CD1-CG2 3.74Å; L368-M396 HydrophobicContact CB-CG 4.07Å; L368-M396 HydrophobicContact CD1-CG 3.94Å; L368-M396 HydrophobicContact CD1-SD 3.6Å; L368-M396 VanDerWaalsContact CD1-SD 3.6Å; L368-M396 HydrophobicContact CD2-CE 3.99Å; L368-M396 HydrophobicContact CD2-CG 4.04Å; L368-M396 HydrophobicContact CD2-SD 3.91Å; L368-M396 HydrophobicContact CG-CG 4.25Å; L368-M396 HydrophobicContact CG-SD 4.27Å; L368-A461 HydrophobicContact CD2-CB 3.99Å; L368-A461 HydrophobicContact CG-CB 4.21Å
369G96.7Very high94.6Very high0 Ų029.7 Ų29.70%018%0.175CC..Hα-helixtrans-62.8-47.5-179.300000112.7L365 G366 I373 A458L365-G369 PolarHBondContact O-N 3.3Å; G366-G369 PolarHBondContact O-N 3.45Å; G369-I373 WeakPolarHBondContact O-CG1 3.23Å; G369-I373 PolarHBondContact O-N 2.81Å; G369-A458 WeakPolarHBondContact O-CB 3.36Å
370L96.8Very high93.8Very high105 Ų10528.8 Ų28.855%0.5518%0.175SC..Hα-helixtrans-64.4-41.4175.6-178.162000111.9G366 I373 S374G366-L370 WeakPolarHBondContact O-CB 3.39Å; G366-L370 PolarHBondContact O-N 3.49Å; L370-I373 PolarHBondContact O-N 3.06Å; L370-S374 WeakPolarHBondContact O-CB 3.35Å; L370-S374 PolarHBondContact O-N 3.33Å; L370-S374 PolarHBondContact O-OG 3.29Å
371G95.9Very high93.4Very high8 Ų833 Ų338%0.08220%0.197CC..Hα-helixtrans-65.5-41.8-179.700000113.2G367 L368 S374 V375 T392G367-G371 WeakPolarHBondContact O-CA 3.43Å; G367-G371 PolarHBondContact O-N 3.15Å; L368-G371 PolarHBondContact O-N 3.27Å; G371-S374 WeakPolarHBondContact O-CB 3.15Å; G371-S374 PolarHBondContact O-N 3.39Å; G371-S374 VanDerWaalsContact O-N 3.15Å; G371-V375 WeakPolarHBondContact O-CG2 3.29Å; G371-V375 PolarHBondContact O-N 2.93Å; G371-T392 VanDerWaalsContact CA-OG1 3.23Å; G371-T392 WeakPolarHBondContact CA-OG1 3.14Å
372L95Very high92.8Very high1 Ų136 Ų361%0.00521%0.209CC..Hα-helixtrans-65.3-39.3175.8-73.8179.1000112.7L301 L368 S374 V375 S376 F389 T392 F454 A457 A458L301-L372 HydrophobicContact CD1-CD2 4.22Å; L301-L372 HydrophobicContact CD2-CD2 4.14Å; L368-L372 HydrophobicContact CD1-CD1 3.78Å; L368-L372 HydrophobicContact CD1-CG 3.93Å; L368-L372 HydrophobicContact CG-CD1 4.21Å; L368-L372 WeakPolarHBondContact O-CB 3.38Å; L368-L372 WeakPolarHBondContact O-CG 3.42Å; L368-L372 PolarHBondContact O-N 2.85Å; L372-S374 VanDerWaalsContact C-N 3.32Å; L372-V375 PolarHBondContact O-N 2.93Å; L372-S376 WeakPolarHBondContact O-CB 3.49Å; L372-S376 PolarHBondContact O-N 3.05Å; L372-F389 HydrophobicContact CD2-CE1 4.12Å; L372-T392 HydrophobicContact CD2-CG2 4.48Å; L372-T392 HydrophobicContact CG-CG2 4.27Å; L372-F454 HydrophobicContact CB-CB 4.29Å; L372-F454 HydrophobicContact CD2-CD1 4.14Å; L372-A457 HydrophobicContact CD1-CB 3.69Å; L372-A458 HydrophobicContact CB-CB 4.45Å
373I94.5Very high92.3Very high70 Ų7039.8 Ų39.836%0.35923%0.225SC..Hα-helixtrans-62.3-44.5171.3-66.4167.7000109.6G369 L370 V375 S376 L377 A458G369-I373 WeakPolarHBondContact O-CG1 3.23Å; G369-I373 PolarHBondContact O-N 2.81Å; L370-I373 PolarHBondContact O-N 3.06Å; I373-V375 PolarHBondContact O-N 3.08Å; I373-S376 WeakPolarHBondContact O-CB 3.44Å; I373-S376 PolarHBondContact O-N 3.02Å; I373-S376 VanDerWaalsContact O-N 3.09Å; I373-S376 PolarHBondContact O-OG 2.97Å; I373-L377 HydrophobicContact CG2-CD1 4.23Å; I373-L377 WeakPolarHBondContact O-CG 3.31Å; I373-L377 PolarHBondContact O-N 3.24Å; I373-A458 HydrophobicContact CD1-CB 4.06Å; I373-A458 HydrophobicContact CG1-CB 3.83Å
374S94.1Very high92Very high41 Ų4138.8 Ų38.829%0.28722%0.224SC..Hα-helixtrans-60-46.7178.9-56.70000111.9L370 G371 L372 S376 L377 V378L370-S374 WeakPolarHBondContact O-CB 3.35Å; L370-S374 PolarHBondContact O-N 3.33Å; L370-S374 PolarHBondContact O-OG 3.29Å; G371-S374 WeakPolarHBondContact O-CB 3.15Å; G371-S374 PolarHBondContact O-N 3.39Å; G371-S374 VanDerWaalsContact O-N 3.15Å; L372-S374 VanDerWaalsContact C-N 3.32Å; S374-S376 PolarHBondContact O-N 3.43Å; S374-L377 PolarHBondContact O-N 3.45Å; S374-V378 WeakPolarHBondContact O-CG2 3.34Å; S374-V378 PolarHBondContact O-N 2.9Å
375V92.2Very high91.8Very high1 Ų138.8 Ų38.81%0.00622%0.224CC..Hα-helixtrans-57.6-40174.4171.80000111.2G371 L372 I373 L377 V378 L388 F389 F454G371-V375 WeakPolarHBondContact O-CG2 3.29Å; G371-V375 PolarHBondContact O-N 2.93Å; L372-V375 PolarHBondContact O-N 2.93Å; I373-V375 PolarHBondContact O-N 3.08Å; V375-L377 PolarHBondContact O-N 3.38Å; V375-V378 PolarHBondContact O-N 3.32Å; V375-L388 HydrophobicContact CG2-CB 3.58Å; V375-F389 HydrophobicContact CG1-CD2 4.16Å; V375-F389 HydrophobicContact CG1-CE1 4.01Å; V375-F389 HydrophobicContact CG1-CE2 3.63Å; V375-F389 HydrophobicContact CG1-CZ 3.55Å; V375-F389 HydrophobicContact CG2-CD1 4.2Å; V375-F389 HydrophobicContact CG2-CD2 4.49Å; V375-F389 HydrophobicContact CG2-CE1 4.37Å; V375-F389 HydrophobicContact CG2-CG 4.26Å; V375-F454 HydrophobicContact CG1-CE2 4.23Å
376S87.7Confident91.5Very high14 Ų1439.1 Ų39.110%0.09823%0.226CC..Hα-helixtrans-63.5-24179.186.10000113.4L372 I373 S374L372-S376 WeakPolarHBondContact O-CB 3.49Å; L372-S376 PolarHBondContact O-N 3.05Å; I373-S376 WeakPolarHBondContact O-CB 3.44Å; I373-S376 PolarHBondContact O-N 3.02Å; I373-S376 VanDerWaalsContact O-N 3.09Å; I373-S376 PolarHBondContact O-OG 2.97Å; S374-S376 PolarHBondContact O-N 3.43Å
377L88.8Confident91.3Very high126 Ų12642.9 Ų42.966%0.6625%0.248SC*.Hα-helixtrans-93.7-14.8-178.8-62.6174.6000113.8I373 S374 V375 G379 M451I373-L377 HydrophobicContact CG2-CD1 4.23Å; I373-L377 WeakPolarHBondContact O-CG 3.31Å; I373-L377 PolarHBondContact O-N 3.24Å; S374-L377 PolarHBondContact O-N 3.45Å; V375-L377 PolarHBondContact O-N 3.38Å; L377-G379 PolarHBondContact O-N 2.69Å; L377-M451 HydrophobicContact CD2-CE 4.35Å
378V88.7Confident91.2Very high35 Ų3544.6 Ų44.621%0.21225%0.253CS..SBendtrans-63.6-23.3-179.7171.90000112.3S374 V375 C380 N381 A384 A385 L388S374-V378 WeakPolarHBondContact O-CG2 3.34Å; S374-V378 PolarHBondContact O-N 2.9Å; V375-V378 PolarHBondContact O-N 3.32Å; V378-C380 PolarHBondContact O-N 3Å; V378-C380 VanDerWaalsContact O-N 3.13Å; V378-N381 HydrophobicContact CG1-CB 3.82Å; V378-N381 VanDerWaalsContact CG1-O 3.3Å; V378-N381 WeakPolarHBondContact CG1-O 3.08Å; V378-A384 HydrophobicContact CG1-CB 3.67Å; V378-A385 HydrophobicContact CG1-CB 4.36Å; V378-L388 HydrophobicContact CG2-CD1 3.21Å
379G81.2Confident91.1Very high24 Ų2444.6 Ų44.625%0.24725%0.253CS..THydrogen-bonded Turntrans62.3-114.5-176.500000110.5L377L377-G379 PolarHBondContact O-N 2.69Å
380C82.1Confident91Very high58 Ų5845.5 Ų45.539%0.39226%0.259SS..THydrogen-bonded Turntrans-104.25-168.7-78.60000117.2C29 V378 R382 I447C29-C380 WeakPolarHBondContact CA-SG 3.04Å; C29-C380 HydrophobicContact CB-CB 3.57Å; C29-C380 WeakPolarHBondContact CB-SG 3.4Å; C29-C380 WeakPolarHBondContact SG-CA 3.03Å; C29-C380 WeakPolarHBondContact SG-CB 3.5Å; C29-C380 CovalentContact SG-SG 2.05Å; C29-C380 PolarHBondContact SG-SG 2.99Å; V378-C380 PolarHBondContact O-N 3Å; V378-C380 VanDerWaalsContact O-N 3.13Å; C380-R382 PolarHBondContact O-N 2.92Å; C380-I447 VanDerWaalsContact SG-CD1 3.57Å
381N87.5Confident91Very high92 Ų9244.3 Ų44.349%0.49226%0.256SS..  trans-75.494.7173.1-173-24.8000110.4V378 M383 A384 A385V378-N381 HydrophobicContact CG1-CB 3.82Å; V378-N381 VanDerWaalsContact CG1-O 3.3Å; V378-N381 WeakPolarHBondContact CG1-O 3.08Å; N381-M383 VanDerWaalsContact C-N 3.33Å; N381-M383 PolarHBondContact O-N 3.1Å; N381-M383 PolarHBondContact OD1-N 3.02Å; N381-A384 HydrophobicContact CB-CB 3.92Å; N381-A384 VanDerWaalsContact CG-CB 3.46Å; N381-A384 PolarHBondContact O-N 2.99Å; N381-A384 PolarHBondContact OD1-N 3.03Å; N381-A385 PolarHBondContact O-N 3.04Å
382R86.2Confident91Very high64 Ų6444.1 Ų44.124%0.24225%0.253CS..Hα-helixtrans-57.8-42.4-175.3-50.2-178.4-170.8-166.3-2.3112.8L313 G314 F315 C380 A385 I386L313-R382 HydrophobicContact CB-CG 4.41Å; L313-R382 WeakPolarHBondContact O-CD 3.42Å; L313-R382 PolarHBondContact O-NE 3.12Å; G314-R382 PolarHBondContact O-NH1 2.81Å; F315-R382 HydrophobicContact CE1-CB 4.46Å; F315-R382 HydrophobicContact CE2-CB 3.8Å; F315-R382 HydrophobicContact CE2-CG 4.5Å; F315-R382 HydrophobicContact CZ-CB 3.52Å; F315-R382 HydrophobicContact CZ-CG 4.38Å; C380-R382 PolarHBondContact O-N 2.92Å; R382-A385 PolarHBondContact O-N 3.24Å; R382-I386 WeakPolarHBondContact O-CG1 3.49Å; R382-I386 PolarHBondContact O-N 2.65Å
383M87.9Confident91Very high122 Ų12244.1 Ų44.160%0.60125%0.253SS*.Hα-helixtrans-70.4-42-179.3-69.3-54.4-6200111.9N381 A385 I386 V387N381-M383 VanDerWaalsContact C-N 3.33Å; N381-M383 PolarHBondContact O-N 3.1Å; N381-M383 PolarHBondContact OD1-N 3.02Å; M383-A385 VanDerWaalsContact C-N 3.28Å; M383-A385 PolarHBondContact O-N 2.75Å; M383-I386 PolarHBondContact O-N 3.1Å; M383-I386 HydrophobicContact SD-CD1 4.46Å; M383-V387 WeakPolarHBondContact O-CG2 3.36Å; M383-V387 PolarHBondContact O-N 2.82Å
384A91.3Very high91Very high30 Ų3040.9 Ų40.925%0.24824%0.238CC..Hα-helixtrans-61.3-39.1174.800000111.5V378 N381 V387 L388V378-A384 HydrophobicContact CG1-CB 3.67Å; N381-A384 HydrophobicContact CB-CB 3.92Å; N381-A384 VanDerWaalsContact CG-CB 3.46Å; N381-A384 PolarHBondContact O-N 2.99Å; N381-A384 PolarHBondContact OD1-N 3.03Å; A384-V387 PolarHBondContact O-N 3.29Å; A384-L388 VanDerWaalsContact O-CB 3.3Å; A384-L388 WeakPolarHBondContact O-CB 3.45Å; A384-L388 WeakPolarHBondContact O-CG 3.45Å; A384-L388 PolarHBondContact O-N 2.91Å
385A91.8Very high91.1Very high0 Ų041.5 Ų41.50%024%0.237CC..Hα-helixtrans-61.8-45.3176.400000112L313 V378 N381 R382 M383 L388 F389L313-A385 HydrophobicContact CD1-CB 3.75Å; L313-A385 HydrophobicContact CD2-CB 4.25Å; V378-A385 HydrophobicContact CG1-CB 4.36Å; N381-A385 PolarHBondContact O-N 3.04Å; R382-A385 PolarHBondContact O-N 3.24Å; M383-A385 VanDerWaalsContact C-N 3.28Å; M383-A385 PolarHBondContact O-N 2.75Å; A385-L388 PolarHBondContact O-N 3.48Å; A385-F389 WeakPolarHBondContact O-CB 3.25Å; A385-F389 WeakPolarHBondContact O-CD2 2.84Å; A385-F389 PolarHBondContact O-N 2.93Å
386I91.6Very high91.2Very high9 Ų941.5 Ų41.55%0.04624%0.237CC..Hα-helixtrans-64.1-45.3177.7-67.6161.8000111.6M309 F315 L323 R382 M383 L388 F389 S390M309-I386 HydrophobicContact CE-CG1 3.98Å; M309-I386 HydrophobicContact SD-CG1 4.09Å; F315-I386 HydrophobicContact CE1-CD1 4.17Å; F315-I386 HydrophobicContact CE2-CD1 3.52Å; F315-I386 HydrophobicContact CE2-CG1 4.18Å; F315-I386 HydrophobicContact CZ-CD1 3.28Å; F315-I386 HydrophobicContact CZ-CG1 4.37Å; L323-I386 HydrophobicContact CB-CD1 4.46Å; L323-I386 HydrophobicContact CD1-CD1 3.83Å; L323-I386 HydrophobicContact CD2-CD1 4.13Å; L323-I386 HydrophobicContact CG-CD1 4.36Å; R382-I386 WeakPolarHBondContact O-CG1 3.49Å; R382-I386 PolarHBondContact O-N 2.65Å; M383-I386 PolarHBondContact O-N 3.1Å; M383-I386 HydrophobicContact SD-CD1 4.46Å; I386-L388 VanDerWaalsContact C-N 3.35Å; I386-F389 PolarHBondContact O-N 3.14Å; I386-S390 WeakPolarHBondContact O-CB 3.48Å; I386-S390 PolarHBondContact O-N 2.95Å; I386-S390 PolarHBondContact O-OG 3.3Å
387V94.4Very high91.5Very high83 Ų8341 Ų4150%0.50323%0.234SC..Hα-helixtrans-61.5-46.5178.6171.30000110M383 A384 S390 V391M383-V387 WeakPolarHBondContact O-CG2 3.36Å; M383-V387 PolarHBondContact O-N 2.82Å; A384-V387 PolarHBondContact O-N 3.29Å; V387-S390 WeakPolarHBondContact O-CB 3.08Å; V387-S390 PolarHBondContact O-N 3.13Å; V387-V391 WeakPolarHBondContact O-CG2 3.18Å; V387-V391 PolarHBondContact O-N 2.93Å
388L94.8Very high91.8Very high53 Ų5336.3 Ų36.328%0.27721%0.208SC..Hα-helixtrans-66.4-40.8178.9-76.5165.6000112.3V375 V378 A384 A385 I386 S390 V391 T392V375-L388 HydrophobicContact CG2-CB 3.58Å; V378-L388 HydrophobicContact CG2-CD1 3.21Å; A384-L388 VanDerWaalsContact O-CB 3.3Å; A384-L388 WeakPolarHBondContact O-CB 3.45Å; A384-L388 WeakPolarHBondContact O-CG 3.45Å; A384-L388 PolarHBondContact O-N 2.91Å; A385-L388 PolarHBondContact O-N 3.48Å; I386-L388 VanDerWaalsContact C-N 3.35Å; L388-S390 VanDerWaalsContact C-N 3.3Å; L388-S390 PolarHBondContact O-N 3.18Å; L388-V391 PolarHBondContact O-N 3.13Å; L388-T392 WeakPolarHBondContact O-CB 3.48Å; L388-T392 PolarHBondContact O-N 3.27Å; L388-T392 PolarHBondContact O-OG1 3.33Å
389F94Very high92.1Very high1 Ų134.9 Ų34.90%0.00420%0.2CC..Hα-helixtrans-59.4-42.5171.1-86.9-56.5000112L301 M305 Y308 M309 P327 L372 V375 A385 I386 T392 I393 F454L301-F389 HydrophobicContact CD2-CE1 4Å; M305-F389 HydrophobicContact CE-CB 3.63Å; M305-F389 HydrophobicContact CE-CD1 3.87Å; M305-F389 HydrophobicContact CE-CD2 3.8Å; M305-F389 HydrophobicContact CE-CE1 4.45Å; M305-F389 HydrophobicContact CE-CE2 4.36Å; M305-F389 HydrophobicContact CE-CG 3.52Å; Y308-F389 AromaticContact CD1-CE2 3.65Å; Y308-F389 HydrophobicContact CD1-CE2 3.65Å; Y308-F389 AromaticContact CD1-CZ 3.93Å; Y308-F389 HydrophobicContact CD1-CZ 3.93Å; Y308-F389 AromaticContact CE1-CE2 3.48Å; Y308-F389 HydrophobicContact CE1-CE2 3.48Å; Y308-F389 VanDerWaalsContact CE1-CE2 3.48Å; Y308-F389 AromaticContact CE1-CZ 3.9Å; Y308-F389 HydrophobicContact CE1-CZ 3.9Å; M309-F389 HydrophobicContact CE-CD2 3.63Å; M309-F389 HydrophobicContact CE-CE2 4.02Å; M309-F389 HydrophobicContact CE-CG 4.48Å; P327-F389 HydrophobicContact CG-CB 4.27Å; L372-F389 HydrophobicContact CD2-CE1 4.12Å; V375-F389 HydrophobicContact CG1-CD2 4.16Å; V375-F389 HydrophobicContact CG1-CE1 4.01Å; V375-F389 HydrophobicContact CG1-CE2 3.63Å; V375-F389 HydrophobicContact CG1-CZ 3.55Å; V375-F389 HydrophobicContact CG2-CD1 4.2Å; V375-F389 HydrophobicContact CG2-CD2 4.49Å; V375-F389 HydrophobicContact CG2-CE1 4.37Å; V375-F389 HydrophobicContact CG2-CG 4.26Å; A385-F389 WeakPolarHBondContact O-CB 3.25Å; A385-F389 WeakPolarHBondContact O-CD2 2.84Å; A385-F389 PolarHBondContact O-N 2.93Å; I386-F389 PolarHBondContact O-N 3.14Å; F389-T392 PolarHBondContact O-N 3.49Å; F389-I393 HydrophobicContact CD1-CD1 4.36Å; F389-I393 WeakPolarHBondContact O-CB 2.96Å; F389-I393 WeakPolarHBondContact O-CG1 3.36Å; F389-I393 PolarHBondContact O-N 3.25Å; F389-F454 HydrophobicContact CE1-CE1 4.38Å; F389-F454 HydrophobicContact CE1-CZ 4.29Å; F389-F454 HydrophobicContact CZ-CE1 4.21Å; F389-F454 HydrophobicContact CZ-CE2 4.28Å; F389-F454 AromaticContact CZ-CZ 3.7Å; F389-F454 HydrophobicContact CZ-CZ 3.7Å
390S94.9Very high92.4Very high18 Ų1838.5 Ų38.513%0.12621%0.213CC..Hα-helixtrans-64.3-42-180-57.70000111.8I386 V387 L388 G394I386-S390 WeakPolarHBondContact O-CB 3.48Å; I386-S390 PolarHBondContact O-N 2.95Å; I386-S390 PolarHBondContact O-OG 3.3Å; V387-S390 WeakPolarHBondContact O-CB 3.08Å; V387-S390 PolarHBondContact O-N 3.13Å; L388-S390 VanDerWaalsContact C-N 3.3Å; L388-S390 PolarHBondContact O-N 3.18Å; S390-G394 VanDerWaalsContact O-CA 3.27Å; S390-G394 WeakPolarHBondContact O-CA 3.37Å; S390-G394 PolarHBondContact O-N 3.35Å
391V96Very high92.9Very high81 Ų8136 Ų3649%0.49120%0.196SC..Hα-helixtrans-66.1-47.3173.3173.40000110.6V387 L388 G394 L395V387-V391 WeakPolarHBondContact O-CG2 3.18Å; V387-V391 PolarHBondContact O-N 2.93Å; L388-V391 PolarHBondContact O-N 3.13Å; V391-G394 WeakPolarHBondContact O-CA 3.43Å; V391-G394 PolarHBondContact O-N 2.95Å; V391-L395 HydrophobicContact CG1-CD1 4.38Å; V391-L395 WeakPolarHBondContact O-CG 3.37Å; V391-L395 PolarHBondContact O-N 3.46Å
392T95.9Very high93.2Very high4 Ų431.6 Ų31.63%0.02517%0.172CC..Hα-helixtrans-62.4-52-176.1-58.80000111.9L368 G371 L372 L388 F389 G394 L395 M396L368-T392 HydrophobicContact CD1-CG2 3.74Å; G371-T392 VanDerWaalsContact CA-OG1 3.23Å; G371-T392 WeakPolarHBondContact CA-OG1 3.14Å; L372-T392 HydrophobicContact CD2-CG2 4.48Å; L372-T392 HydrophobicContact CG-CG2 4.27Å; L388-T392 WeakPolarHBondContact O-CB 3.48Å; L388-T392 PolarHBondContact O-N 3.27Å; L388-T392 PolarHBondContact O-OG1 3.33Å; F389-T392 PolarHBondContact O-N 3.49Å; T392-G394 VanDerWaalsContact C-N 3.32Å; T392-L395 PolarHBondContact O-N 2.91Å; T392-M396 PolarHBondContact O-N 3.12Å
393I94.7Very high93.6Very high0 Ų029.5 Ų29.50%017%0.165CC..Hα-helixtrans-72-31.4177.3-62.4168.5000110L301 M305 P327 Y328 Q331 F389 M396L301-I393 HydrophobicContact CB-CD1 4.48Å; L301-I393 HydrophobicContact CD1-CD1 4.07Å; L301-I393 HydrophobicContact CD1-CG1 4Å; M305-I393 HydrophobicContact CE-CD1 3.97Å; M305-I393 HydrophobicContact SD-CD1 4.13Å; P327-I393 HydrophobicContact CB-CB 3.78Å; P327-I393 HydrophobicContact CB-CD1 3.54Å; P327-I393 HydrophobicContact CB-CG1 4.2Å; P327-I393 HydrophobicContact CB-CG2 4.03Å; P327-I393 HydrophobicContact CG-CD1 4.27Å; Y328-I393 HydrophobicContact CD1-CG2 4.1Å; Y328-I393 HydrophobicContact CE1-CG2 4.08Å; Q331-I393 HydrophobicContact CB-CG2 4.16Å; Q331-I393 WeakPolarHBondContact CB-O 3.35Å; Q331-I393 WeakPolarHBondContact CG-O 3.39Å; F389-I393 HydrophobicContact CD1-CD1 4.36Å; F389-I393 WeakPolarHBondContact O-CB 2.96Å; F389-I393 WeakPolarHBondContact O-CG1 3.36Å; F389-I393 PolarHBondContact O-N 3.25Å; I393-M396 HydrophobicContact CG1-SD 4.41Å; I393-M396 HydrophobicContact CG2-SD 4.44Å; I393-M396 VanDerWaalsContact O-CB 3.23Å; I393-M396 WeakPolarHBondContact O-CB 3.44Å; I393-M396 PolarHBondContact O-N 3.27Å; I393-M396 VanDerWaalsContact O-N 3.17Å
394G95.3Very high93.6Very high3 Ų325 Ų253%0.03115%0.149CC..Hα-helixtrans-53-52.5168.700000112.4V334 S390 V391 T392 M396 G397V334-G394 VanDerWaalsContact CB-O 3.3Å; V334-G394 WeakPolarHBondContact CB-O 3.36Å; V334-G394 WeakPolarHBondContact CG1-O 3.5Å; S390-G394 VanDerWaalsContact O-CA 3.27Å; S390-G394 WeakPolarHBondContact O-CA 3.37Å; S390-G394 PolarHBondContact O-N 3.35Å; V391-G394 WeakPolarHBondContact O-CA 3.43Å; V391-G394 PolarHBondContact O-N 2.95Å; T392-G394 VanDerWaalsContact C-N 3.32Å; G394-M396 PolarHBondContact O-N 2.7Å; G394-G397 PolarHBondContact O-N 2.93Å
395L96.4Very high93.4Very high54 Ų5425.4 Ų25.428%0.28315%0.15SC..Hα-helixtrans-60.8-29.3178-70.3175.6000112.8I363 A364 V391 T392 G397 F398I363-L395 HydrophobicContact CG2-CD2 3.97Å; A364-L395 WeakPolarHBondContact CA-O 3.43Å; V391-L395 HydrophobicContact CG1-CD1 4.38Å; V391-L395 WeakPolarHBondContact O-CG 3.37Å; V391-L395 PolarHBondContact O-N 3.46Å; T392-L395 PolarHBondContact O-N 2.91Å; L395-G397 PolarHBondContact O-N 2.88Å; L395-F398 HydrophobicContact CD2-CE2 4.37Å; L395-F398 WeakPolarHBondContact O-CD2 3.39Å; L395-F398 PolarHBondContact O-N 3.1Å; L395-F398 VanDerWaalsContact O-N 3.11Å
396M95Very high93.5Very high1 Ų125.4 Ų25.41%0.00515%0.15CC..THydrogen-bonded Turntrans-57.6-20.8172-61.9-179.264.300112.4F294 F298 L368 T392 I393 G394 F398 S399F294-M396 HydrophobicContact CD2-CB 4.39Å; F294-M396 HydrophobicContact CD2-CE 3.48Å; F294-M396 VanDerWaalsContact CD2-CE 3.48Å; F294-M396 HydrophobicContact CE2-CB 3.86Å; F294-M396 HydrophobicContact CE2-CE 3.44Å; F294-M396 VanDerWaalsContact CE2-CE 3.44Å; F294-M396 HydrophobicContact CG-CE 4.13Å; F294-M396 HydrophobicContact CZ-CE 4.02Å; F298-M396 HydrophobicContact CB-CE 3.87Å; L368-M396 HydrophobicContact CB-CG 4.07Å; L368-M396 HydrophobicContact CD1-CG 3.94Å; L368-M396 HydrophobicContact CD1-SD 3.6Å; L368-M396 VanDerWaalsContact CD1-SD 3.6Å; L368-M396 HydrophobicContact CD2-CE 3.99Å; L368-M396 HydrophobicContact CD2-CG 4.04Å; L368-M396 HydrophobicContact CD2-SD 3.91Å; L368-M396 HydrophobicContact CG-CG 4.25Å; L368-M396 HydrophobicContact CG-SD 4.27Å; T392-M396 PolarHBondContact O-N 3.12Å; I393-M396 HydrophobicContact CG1-SD 4.41Å; I393-M396 HydrophobicContact CG2-SD 4.44Å; I393-M396 VanDerWaalsContact O-CB 3.23Å; I393-M396 WeakPolarHBondContact O-CB 3.44Å; I393-M396 PolarHBondContact O-N 3.27Å; I393-M396 VanDerWaalsContact O-N 3.17Å; G394-M396 PolarHBondContact O-N 2.7Å; M396-F398 PolarHBondContact O-N 3.1Å; M396-S399 WeakPolarHBondContact O-CB 3.44Å; M396-S399 PolarHBondContact O-N 2.98Å; M396-S399 PolarHBondContact O-OG 3.33Å
397G93.3Very high93.4Very high2 Ų225 Ų252%0.02115%0.148CC..THydrogen-bonded Turntrans-58.2-25.6175.400000114.2S335 G394 L395 S399S335-G397 WeakPolarHBondContact CA-O 3.41Å; S335-G397 WeakPolarHBondContact CB-O 3.43Å; G394-G397 PolarHBondContact O-N 2.93Å; L395-G397 PolarHBondContact O-N 2.88Å; G397-S399 PolarHBondContact O-N 3.42Å
398F96Very high93Very high29 Ų2924.8 Ų24.813%0.12714%0.144CC..Hα-helixtrans-64.7-18.1174.2-80-98.4000113.3V334 A338 N360 I363 A364 L395 M396 L400 S401 G402V334-F398 HydrophobicContact CG1-CD2 3.74Å; V334-F398 HydrophobicContact CG1-CE2 3.57Å; A338-F398 HydrophobicContact CB-CB 4.45Å; A338-F398 HydrophobicContact CB-CD1 3.58Å; A338-F398 HydrophobicContact CB-CD2 4.15Å; A338-F398 HydrophobicContact CB-CE1 3.74Å; A338-F398 HydrophobicContact CB-CE2 4.29Å; A338-F398 HydrophobicContact CB-CG 3.81Å; A338-F398 HydrophobicContact CB-CZ 4.09Å; N360-F398 HydrophobicContact CB-CB 4.43Å; N360-F398 HydrophobicContact CB-CD1 4.5Å; N360-F398 WeakPolarHBondContact OD1-CD1 3.34Å; I363-F398 HydrophobicContact CB-CB 4.45Å; I363-F398 HydrophobicContact CB-CD1 4.45Å; I363-F398 HydrophobicContact CB-CG 4.27Å; I363-F398 HydrophobicContact CD1-CD1 4.17Å; I363-F398 HydrophobicContact CD1-CE1 4.09Å; I363-F398 HydrophobicContact CG2-CB 4.25Å; I363-F398 HydrophobicContact CG2-CD1 4.18Å; I363-F398 HydrophobicContact CG2-CD2 3.65Å; I363-F398 HydrophobicContact CG2-CE1 4.47Å; I363-F398 HydrophobicContact CG2-CE2 3.97Å; I363-F398 HydrophobicContact CG2-CG 3.76Å; I363-F398 HydrophobicContact CG2-CZ 4.38Å; A364-F398 HydrophobicContact CB-CB 4.04Å; L395-F398 HydrophobicContact CD2-CE2 4.37Å; L395-F398 WeakPolarHBondContact O-CD2 3.39Å; L395-F398 PolarHBondContact O-N 3.1Å; L395-F398 VanDerWaalsContact O-N 3.11Å; M396-F398 PolarHBondContact O-N 3.1Å; F398-L400 VanDerWaalsContact C-N 3.27Å; F398-L400 PolarHBondContact O-N 3.48Å; F398-S401 CarbonylContact O-C 3.56Å; F398-S401 PolarHBondContact O-N 3.34Å; F398-G402 PolarHBondContact O-N 3.32Å
399S93.1Very high92.6Very high5 Ų523.9 Ų23.94%0.03514%0.139CC..Hα-helixtrans-64.1-31.7-177.377.40000113.1F294 M396 G397 S401 G402 Y403 G404F294-S399 VanDerWaalsContact CD2-OG 3.32Å; F294-S399 WeakPolarHBondContact CD2-OG 3.5Å; F294-S399 WeakPolarHBondContact CE2-OG 3.31Å; M396-S399 WeakPolarHBondContact O-CB 3.44Å; M396-S399 PolarHBondContact O-N 2.98Å; M396-S399 PolarHBondContact O-OG 3.33Å; G397-S399 PolarHBondContact O-N 3.42Å; S399-S401 VanDerWaalsContact C-N 3.33Å; S399-S401 PolarHBondContact O-N 3.5Å; S399-G402 CarbonylContact O-C 3.42Å; S399-G402 WeakPolarHBondContact O-CA 3.48Å; S399-G402 PolarHBondContact O-N 2.92Å; S399-G402 VanDerWaalsContact O-N 3.09Å; S399-Y403 PolarHBondContact O-N 3.26Å; S399-G404 PolarHBondContact O-N 2.9Å; S399-G404 VanDerWaalsContact O-N 3.08Å
400L89.4Confident92.3Very high100 Ų10023.8 Ų23.852%0.52414%0.139SC..Iπ-helixtrans-64.8-39.2178.4-171.262.6000111.2F398 G402 G404 S405F398-L400 VanDerWaalsContact C-N 3.27Å; F398-L400 PolarHBondContact O-N 3.48Å; L400-G402 VanDerWaalsContact C-N 3.33Å; L400-G404 CarbonylContact O-C 3.58Å; L400-G404 WeakPolarHBondContact O-CA 3.45Å; L400-S405 PolarHBondContact O-N 3.2Å; L400-S405 PolarHBondContact O-OG 3.13Å
401S91.4Very high92Very high4 Ų423 Ų233%0.02813%0.133CC..Iπ-helixtrans-85.8-5.3174-49.30000113.5A339 S342 R357 N360 F398 S399A339-S401 WeakPolarHBondContact CA-OG 3.09Å; A339-S401 PolarHBondContact N-OG 3.15Å; S342-S401 WeakPolarHBondContact OG-CB 3.49Å; R357-S401 WeakPolarHBondContact CD-O 3.37Å; R357-S401 PolarHBondContact NH1-O 3.22Å; N360-S401 WeakPolarHBondContact ND2-CB 3.22Å; N360-S401 PolarHBondContact ND2-O 3.06Å; F398-S401 CarbonylContact O-C 3.56Å; F398-S401 PolarHBondContact O-N 3.34Å; S399-S401 VanDerWaalsContact C-N 3.33Å; S399-S401 PolarHBondContact O-N 3.5Å
402G94Very high91.1Very high0 Ų019.5 Ų19.50%011%0.112CC..Iπ-helixtrans-93.5-109.9171.400000110.5N361 F398 S399 L400 G404 N406N361-G402 WeakPolarHBondContact OD1-CA 3.37Å; F398-G402 PolarHBondContact O-N 3.32Å; S399-G402 CarbonylContact O-C 3.42Å; S399-G402 WeakPolarHBondContact O-CA 3.48Å; S399-G402 PolarHBondContact O-N 2.92Å; S399-G402 VanDerWaalsContact O-N 3.09Å; L400-G402 VanDerWaalsContact C-N 3.33Å; G402-G404 VanDerWaalsContact C-N 3.26Å; G402-G404 PolarHBondContact O-N 2.97Å; G402-N406 PolarHBondContact O-N 3.34Å
403Y94.2Very high90.2Very high21 Ų2121 Ų218%0.08212%0.119CC..Iπ-helixtrans-62.4-31.3-179.181.7-99.4000113.3I287 C290 H291 F294 N361 S399 S405 N406I287-Y403 HydrophobicContact CG2-CD2 4.22Å; C290-Y403 HydrophobicContact CB-CD1 3.86Å; C290-Y403 HydrophobicContact CB-CG 3.92Å; H291-Y403 HydrophobicContact CB-CD2 3.9Å; H291-Y403 HydrophobicContact CB-CE2 3.58Å; H291-Y403 AromaticContact CD2-CE2 3.58Å; H291-Y403 AromaticContact CD2-CZ 3.64Å; H291-Y403 PolarHBondContact CD2-OH 3.32Å; H291-Y403 AromaticContact CG-CE2 3.46Å; H291-Y403 VanDerWaalsContact CG-CE2 3.46Å; H291-Y403 AromaticContact CG-CZ 3.93Å; H291-Y403 AromaticContact ND1-CE2 3.96Å; F294-Y403 HydrophobicContact CB-CE1 3.81Å; F294-Y403 HydrophobicContact CD1-CE1 4.31Å; F294-Y403 WeakPolarHBondContact CD1-OH 3.48Å; F294-Y403 HydrophobicContact CD2-CE1 4.33Å; F294-Y403 AromaticContact CG-CE1 3.91Å; F294-Y403 HydrophobicContact CG-CE1 3.91Å; N361-Y403 PolarHBondContact ND2-N 3.47Å; N361-Y403 PolarHBondContact OD1-N 3.03Å; S399-Y403 PolarHBondContact O-N 3.26Å; Y403-S405 VanDerWaalsContact C-N 3.29Å; Y403-S405 PolarHBondContact O-N 2.94Å; Y403-N406 PolarHBondContact O-N 3.24Å
404G88.3Confident89.6Confident26 Ų2621.3 Ų21.327%0.26812%0.121SC..Iπ-helixtrans-63.1-34.7-175.300000113.3S399 L400 G402S399-G404 PolarHBondContact O-N 2.9Å; S399-G404 VanDerWaalsContact O-N 3.08Å; L400-G404 CarbonylContact O-C 3.58Å; L400-G404 WeakPolarHBondContact O-CA 3.45Å; G402-G404 VanDerWaalsContact C-N 3.26Å; G402-G404 PolarHBondContact O-N 2.97Å
405S88.3Confident89Confident39 Ų3922 Ų2227%0.27312%0.124SC..Hα-helixtrans-91.4-19176.2-58.20000112.7L400 Y403 A407 L408 D409L400-S405 PolarHBondContact O-N 3.2Å; L400-S405 PolarHBondContact O-OG 3.13Å; Y403-S405 VanDerWaalsContact C-N 3.29Å; Y403-S405 PolarHBondContact O-N 2.94Å; S405-A407 VanDerWaalsContact C-N 3.3Å; S405-A407 PolarHBondContact O-N 2.86Å; S405-L408 WeakPolarHBondContact O-CB 3.37Å; S405-L408 PolarHBondContact O-N 3.36Å; S405-L408 VanDerWaalsContact O-N 3.11Å; S405-D409 PolarHBondContact O-N 3.21Å
406N92.7Very high88.1Confident0 Ų020.9 Ų20.90%013%0.125CC..Hα-helixtrans-65.5-30-172.1-163.339000113.6I287 R357 G402 Y403 L408 D409 L410 S473I287-N406 HydrophobicContact CD1-CB 3.94Å; I287-N406 HydrophobicContact CG1-CB 4Å; R357-N406 HydrophobicContact CG-CB 4.38Å; G402-N406 PolarHBondContact O-N 3.34Å; Y403-N406 PolarHBondContact O-N 3.24Å; N406-L408 PolarHBondContact O-N 3.47Å; N406-D409 PolarHBondContact O-N 3.3Å; N406-L410 WeakPolarHBondContact O-CG 3.42Å; N406-L410 PolarHBondContact O-N 3.23Å; N406-S473 PolarHBondContact ND2-O 3.09Å; N406-S473 PolarHBondContact OD1-O 2.61Å
407A89.5Confident87.5Confident1 Ų123 Ų231%0.00814%0.136CC..Hα-helixtrans-62.5-34.8176.600000112.1I287 S405 A411 N415 I418 I419I287-A407 HydrophobicContact CD1-CB 3.91Å; S405-A407 VanDerWaalsContact C-N 3.3Å; S405-A407 PolarHBondContact O-N 2.86Å; A407-A411 PolarHBondContact O-N 3.03Å; A407-A411 VanDerWaalsContact O-N 3.09Å; A407-N415 VanDerWaalsContact C-OD1 3.28Å; A407-N415 WeakPolarHBondContact CB-OD1 3.27Å; A407-I418 HydrophobicContact CB-CB 4.26Å; A407-I418 HydrophobicContact CB-CG2 3.88Å; A407-I419 HydrophobicContact CB-CD1 4.46Å; A407-I419 HydrophobicContact CB-CG1 3.94Å
408L85.5Confident87.2Confident78 Ų7822.9 Ų22.941%0.40814%0.136SC..Hα-helixtrans-69.5-40.1176-174.569.2000111.2S405 N406 P412 N415S405-L408 WeakPolarHBondContact O-CB 3.37Å; S405-L408 PolarHBondContact O-N 3.36Å; S405-L408 VanDerWaalsContact O-N 3.11Å; N406-L408 PolarHBondContact O-N 3.47Å; L408-P412 HydrophobicContact CD1-CB 4.35Å; L408-P412 VanDerWaalsContact O-CD 3.28Å; L408-P412 WeakPolarHBondContact O-CD 3.5Å; L408-P412 VanDerWaalsContact O-CG 3.25Å; L408-P412 WeakPolarHBondContact O-CG 3.39Å; L408-N415 HydrophobicContact CD1-CB 4.37Å; L408-N415 PolarHBondContact N-OD1 2.9Å
409D86.5Confident86.8Confident34 Ų3424.8 Ų24.818%0.18215%0.147CC..Hα-helixtrans-66.6-40.1178.6-61.8-34.4000111.6T353 R357 S405 N406 I476T353-D409 HydrophobicContact CG2-CB 4.32Å; T353-D409 WeakPolarHBondContact CG2-OD2 3.48Å; R357-D409 IonicContact CZ-OD2 2.82Å; R357-D409 VanDerWaalsContact CZ-OD2 3.23Å; R357-D409 IonicContact NE-OD2 2.78Å; R357-D409 PolarHBondContact NE-OD2 2.05Å; R357-D409 IonicContact NH2-OD1 3.05Å; R357-D409 IonicContact NH2-OD2 3.17Å; R357-D409 PolarHBondContact NH2-OD2 3.42Å; S405-D409 PolarHBondContact O-N 3.21Å; N406-D409 PolarHBondContact O-N 3.3Å; D409-I476 WeakPolarHBondContact O-CG1 3.46Å
410L89.2Confident86.4Confident0 Ų027.2 Ų27.20%016%0.163CC..Hα-helixtrans-71.6-46.7-179.8-71.2179.1000113.4P283 V284 I287 N406 S473 E475 I476 Q477P283-L410 HydrophobicContact CB-CD1 3.49Å; P283-L410 VanDerWaalsContact CB-CD1 3.49Å; P283-L410 HydrophobicContact CB-CD2 3.49Å; P283-L410 VanDerWaalsContact CB-CD2 3.49Å; P283-L410 HydrophobicContact CB-CG 4.12Å; P283-L410 HydrophobicContact CG-CD2 4.16Å; V284-L410 HydrophobicContact CG2-CD1 4.34Å; I287-L410 HydrophobicContact CD1-CD1 3.51Å; I287-L410 HydrophobicContact CG1-CD1 4.45Å; N406-L410 WeakPolarHBondContact O-CG 3.42Å; N406-L410 PolarHBondContact O-N 3.23Å; L410-S473 WeakPolarHBondContact CD2-O 3.17Å; L410-E475 WeakPolarHBondContact CD2-O 3.32Å; L410-I476 WeakPolarHBondContact O-CA 3.43Å; L410-Q477 HydrophobicContact CB-CG 4.31Å; L410-Q477 HydrophobicContact CD2-CG 3.98Å; L410-Q477 PolarHBondContact O-N 2.95Å
411A86.9Confident86.4Confident0 Ų024 Ų240%015%0.148CC..  trans-151.778.4-170.800000112.6A407 I413 Y414 N415 I418 W479 S480A407-A411 PolarHBondContact O-N 3.03Å; A407-A411 VanDerWaalsContact O-N 3.09Å; A411-I413 PolarHBondContact O-N 2.86Å; A411-Y414 CarbonylContact O-C 3.41Å; A411-Y414 PolarHBondContact O-N 3.43Å; A411-N415 WeakPolarHBondContact O-CA 3.43Å; A411-N415 WeakPolarHBondContact O-CB 3.48Å; A411-N415 PolarHBondContact O-N 3.39Å; A411-I418 HydrophobicContact CB-CD1 3.78Å; A411-W479 HydrophobicContact CB-CH2 3.49Å; A411-W479 VanDerWaalsContact CB-CH2 3.49Å; A411-W479 HydrophobicContact CB-CZ3 3.51Å; A411-S480 WeakPolarHBondContact CA-OG 3.35Å; A411-S480 VanDerWaalsContact CB-OG 3.3Å; A411-S480 WeakPolarHBondContact CB-OG 3.38Å
412P77.5Confident86.4Confident9 Ų924 Ų246%0.05815%0.148CC..THydrogen-bonded Turntrans-54-35.2-173.8-23.127.1000114.6L408 N415L408-P412 HydrophobicContact CD1-CB 4.35Å; L408-P412 VanDerWaalsContact O-CD 3.28Å; L408-P412 WeakPolarHBondContact O-CD 3.5Å; L408-P412 VanDerWaalsContact O-CG 3.25Å; L408-P412 WeakPolarHBondContact O-CG 3.39Å; P412-N415 WeakPolarHBondContact O-CB 3.46Å
413I77.8Confident86.1Confident34 Ų3425.6 Ų25.617%0.17416%0.156CC..THydrogen-bonded Turntrans-76-36.4-178-52.3161.9000111.9K270 A411 S480 L482 P506K270-I413 HydrophobicContact CD-CG2 4.21Å; K270-I413 HydrophobicContact CG-CG2 4.3Å; A411-I413 PolarHBondContact O-N 2.86Å; I413-S480 WeakPolarHBondContact CD1-O 3.23Å; I413-L482 HydrophobicContact CD1-CD1 4.26Å; I413-L482 HydrophobicContact CD1-CD2 3.49Å; I413-L482 VanDerWaalsContact CD1-CD2 3.49Å; I413-L482 HydrophobicContact CD1-CG 3.5Å; I413-L482 HydrophobicContact CG1-CD2 4.44Å; I413-L482 HydrophobicContact CG1-CG 4.45Å; I413-P506 HydrophobicContact CD1-CG 4.48Å; I413-P506 HydrophobicContact CG1-CG 4.16Å
414Y82.5Confident85.8Confident8 Ų826.2 Ų26.23%0.03116%0.162CC..THydrogen-bonded Turntrans-102.97.5-177.3-58-66.2000112.2N271 V273 P274 A411 G416 N417 I418 W479N271-Y414 PolarHBondContact O-OH 2.82Å; V273-Y414 HydrophobicContact CB-CE1 4.49Å; V273-Y414 HydrophobicContact CG1-CD1 4.3Å; V273-Y414 HydrophobicContact CG2-CD1 4.37Å; V273-Y414 HydrophobicContact CG2-CE1 4.29Å; P274-Y414 VanDerWaalsContact CD-CZ 3.49Å; P274-Y414 HydrophobicContact CG-CE2 4.09Å; A411-Y414 CarbonylContact O-C 3.41Å; A411-Y414 PolarHBondContact O-N 3.43Å; Y414-G416 VanDerWaalsContact C-N 3.3Å; Y414-G416 PolarHBondContact O-N 2.93Å; Y414-N417 WeakPolarHBondContact O-CB 3.41Å; Y414-N417 PolarHBondContact O-N 3.23Å; Y414-I418 PolarHBondContact O-N 3.09Å; Y414-W479 AromaticContact CD2-CE3 4Å; Y414-W479 HydrophobicContact CD2-CE3 4Å; Y414-W479 AromaticContact CD2-CZ3 3.77Å; Y414-W479 HydrophobicContact CD2-CZ3 3.77Å; Y414-W479 HydrophobicContact CE2-CE3 4.39Å; Y414-W479 HydrophobicContact CG-CZ3 4.37Å
415N82.3Confident86Confident17 Ų1726.1 Ų26.19%0.09116%0.159CC..Hα-helixtrans-51.8-48.3-178.8173.148.5000111.5A407 L408 A411 P412 N417 I418 I419A407-N415 VanDerWaalsContact C-OD1 3.28Å; A407-N415 WeakPolarHBondContact CB-OD1 3.27Å; L408-N415 HydrophobicContact CD1-CB 4.37Å; L408-N415 PolarHBondContact N-OD1 2.9Å; A411-N415 WeakPolarHBondContact O-CA 3.43Å; A411-N415 WeakPolarHBondContact O-CB 3.48Å; A411-N415 PolarHBondContact O-N 3.39Å; P412-N415 WeakPolarHBondContact O-CB 3.46Å; N415-N417 VanDerWaalsContact C-N 3.27Å; N415-N417 PolarHBondContact O-N 3.45Å; N415-I418 PolarHBondContact O-N 3.26Å; N415-I419 WeakPolarHBondContact O-CG1 2.91Å; N415-I419 PolarHBondContact O-N 3.21Å; N415-I419 WeakPolarHBondContact OD1-CD1 3.34Å
416G76.8Confident86.2Confident31 Ų3124.2 Ų24.232%0.3215%0.146SC..Hα-helixtrans-56.2-40.917700000112.9Y414 I419 S420Y414-G416 VanDerWaalsContact C-N 3.3Å; Y414-G416 PolarHBondContact O-N 2.93Å; G416-I419 PolarHBondContact O-N 2.91Å; G416-S420 WeakPolarHBondContact O-CB 3.27Å; G416-S420 PolarHBondContact O-N 3.13Å; G416-S420 PolarHBondContact O-OG 3.23Å
417N82.6Confident86.2Confident44 Ų4424.2 Ų24.224%0.23515%0.146CC..Hα-helixtrans-69.1-42.4-179.9-58-11000111.5V273 W275 Y414 N415 S420 V421V273-N417 VanDerWaalsContact CG1-ND2 3.26Å; V273-N417 WeakPolarHBondContact CG1-ND2 3.39Å; V273-N417 WeakPolarHBondContact CG2-ND2 3.35Å; W275-N417 HydrophobicContact CH2-CB 4.23Å; Y414-N417 WeakPolarHBondContact O-CB 3.41Å; Y414-N417 PolarHBondContact O-N 3.23Å; N415-N417 VanDerWaalsContact C-N 3.27Å; N415-N417 PolarHBondContact O-N 3.45Å; N417-S420 PolarHBondContact O-N 2.87Å; N417-V421 WeakPolarHBondContact O-CG2 3.49Å; N417-V421 PolarHBondContact O-N 3.18Å
418I87.3Confident86.3Confident1 Ų127.6 Ų27.61%0.00516%0.163CC..Hα-helixtrans-63.5-47.6177-63.5168.4000110I278 V284 I287 A407 A411 Y414 N415 S420 V421 T422 W479I278-I418 HydrophobicContact CG2-CG1 4.31Å; V284-I418 HydrophobicContact CG1-CG2 4.31Å; V284-I418 HydrophobicContact CG2-CD1 4.23Å; I287-I418 HydrophobicContact CD1-CG2 4.34Å; A407-I418 HydrophobicContact CB-CB 4.26Å; A407-I418 HydrophobicContact CB-CG2 3.88Å; A411-I418 HydrophobicContact CB-CD1 3.78Å; Y414-I418 PolarHBondContact O-N 3.09Å; N415-I418 PolarHBondContact O-N 3.26Å; I418-S420 VanDerWaalsContact C-N 3.34Å; I418-S420 PolarHBondContact O-N 3.1Å; I418-V421 PolarHBondContact O-N 3.23Å; I418-T422 HydrophobicContact CG2-CG2 4.2Å; I418-T422 WeakPolarHBondContact O-CB 3.18Å; I418-T422 VanDerWaalsContact O-CG2 3.22Å; I418-T422 WeakPolarHBondContact O-CG2 3Å; I418-T422 PolarHBondContact O-N 2.98Å; I418-T422 PolarHBondContact O-OG1 3.4Å; I418-W479 HydrophobicContact CD1-CH2 4.06Å
419I87.8Confident86.7Confident69 Ų6924.1 Ų24.135%0.35415%0.145SC..Hα-helixtrans-59.5-45.5177-68.4174.4000110.1A407 N415 G416 V421 T422 N423A407-I419 HydrophobicContact CB-CD1 4.46Å; A407-I419 HydrophobicContact CB-CG1 3.94Å; N415-I419 WeakPolarHBondContact O-CG1 2.91Å; N415-I419 PolarHBondContact O-N 3.21Å; N415-I419 WeakPolarHBondContact OD1-CD1 3.34Å; G416-I419 PolarHBondContact O-N 2.91Å; I419-V421 PolarHBondContact O-N 3.39Å; I419-T422 PolarHBondContact O-N 2.91Å; I419-T422 PolarHBondContact O-OG1 3.25Å; I419-T422 VanDerWaalsContact O-OG1 3.09Å; I419-N423 WeakPolarHBondContact O-CB 3.17Å; I419-N423 PolarHBondContact O-N 2.9Å
420S84Confident86.9Confident55 Ų5522.5 Ų22.539%0.38514%0.137SC..Hα-helixtrans-62.2-43.5179-65.80000113.7G416 N417 I418 T424G416-S420 WeakPolarHBondContact O-CB 3.27Å; G416-S420 PolarHBondContact O-N 3.13Å; G416-S420 PolarHBondContact O-OG 3.23Å; N417-S420 PolarHBondContact O-N 2.87Å; I418-S420 VanDerWaalsContact C-N 3.34Å; I418-S420 PolarHBondContact O-N 3.1Å; S420-T424 PolarHBondContact O-N 2.89Å; S420-T424 VanDerWaalsContact O-N 3.11Å; S420-T424 PolarHBondContact O-OG1 3.21Å
421V88.8Confident87Confident34 Ų3422.6 Ų22.621%0.20614%0.137CC..Hα-helixtrans-65.7-48.4177.4170.40000110.7W275 F279 N417 I418 I419 N423 T424 A425W275-V421 HydrophobicContact CH2-CG2 4.28Å; W275-V421 HydrophobicContact CZ3-CG2 3.76Å; F279-V421 HydrophobicContact CE1-CG1 3.9Å; F279-V421 HydrophobicContact CZ-CG1 4.13Å; N417-V421 WeakPolarHBondContact O-CG2 3.49Å; N417-V421 PolarHBondContact O-N 3.18Å; I418-V421 PolarHBondContact O-N 3.23Å; I419-V421 PolarHBondContact O-N 3.39Å; V421-N423 VanDerWaalsContact C-N 3.35Å; V421-N423 PolarHBondContact O-N 3.42Å; V421-T424 PolarHBondContact O-N 3.29Å; V421-A425 PolarHBondContact O-N 3.43Å
422T92.2Very high87.3Confident3 Ų327.5 Ų27.52%0.01816%0.158CC..Hα-helixtrans-66.5-37.1-178.759.70000111.8I287 L288 I418 I419 A425 A426I287-T422 HydrophobicContact CB-CG2 4.49Å; I287-T422 HydrophobicContact CG2-CG2 3.98Å; L288-T422 HydrophobicContact CB-CG2 3.9Å; L288-T422 HydrophobicContact CG-CG2 4.39Å; I418-T422 HydrophobicContact CG2-CG2 4.2Å; I418-T422 WeakPolarHBondContact O-CB 3.18Å; I418-T422 VanDerWaalsContact O-CG2 3.22Å; I418-T422 WeakPolarHBondContact O-CG2 3Å; I418-T422 PolarHBondContact O-N 2.98Å; I418-T422 PolarHBondContact O-OG1 3.4Å; I419-T422 PolarHBondContact O-N 2.91Å; I419-T422 PolarHBondContact O-OG1 3.25Å; I419-T422 VanDerWaalsContact O-OG1 3.09Å; T422-A425 PolarHBondContact O-N 3.01Å; T422-A426 WeakPolarHBondContact O-CB 3.26Å; T422-A426 PolarHBondContact O-N 3.46Å
423N88.3Confident88Confident34 Ų3427.1 Ų27.118%0.18216%0.156CC..Hα-helixtrans-68-37.8178-162.547.7000112.6Q70 H291 I419 V421 A426 T427Q70-N423 PolarHBondContact OE1-ND2 3.48Å; H291-N423 PolarHBondContact CE1-OD1 3.43Å; I419-N423 WeakPolarHBondContact O-CB 3.17Å; I419-N423 PolarHBondContact O-N 2.9Å; V421-N423 VanDerWaalsContact C-N 3.35Å; V421-N423 PolarHBondContact O-N 3.42Å; N423-A426 CarbonylContact O-C 3.57Å; N423-A426 PolarHBondContact O-N 3.47Å; N423-T427 PolarHBondContact O-N 2.94Å; N423-T427 PolarHBondContact O-OG1 2.93Å
424T87.5Confident88.6Confident33 Ų3325.6 Ų25.620%0.20215%0.148CC..Hα-helixtrans-58.9-54172.3-58.70000110.2I67 S420 V421 A426 T427I67-T424 HydrophobicContact CD1-CG2 3.95Å; I67-T424 VanDerWaalsContact CD1-O 3.24Å; I67-T424 WeakPolarHBondContact CD1-O 3.23Å; I67-T424 HydrophobicContact CG1-CG2 3.66Å; S420-T424 PolarHBondContact O-N 2.89Å; S420-T424 VanDerWaalsContact O-N 3.11Å; S420-T424 PolarHBondContact O-OG1 3.21Å; V421-T424 PolarHBondContact O-N 3.29Å; T424-A426 VanDerWaalsContact C-N 3.35Å; T424-A426 PolarHBondContact O-N 2.86Å; T424-T427 WeakPolarHBondContact O-CB 3.38Å; T424-T427 PolarHBondContact O-N 2.88Å; T424-T427 VanDerWaalsContact O-N 3.1Å
425A91.4Very high89Confident24 Ų2427 Ų2720%0.19816%0.156CC..Hα-helixtrans-61.6-42.4178.400000112.2L288 V292 V421 T422 T427 L428L288-A425 HydrophobicContact CD1-CB 4.25Å; L288-A425 HydrophobicContact CG-CB 4.34Å; V292-A425 HydrophobicContact CG2-CB 4.33Å; V421-A425 PolarHBondContact O-N 3.43Å; T422-A425 PolarHBondContact O-N 3.01Å; A425-T427 PolarHBondContact O-N 3.47Å; A425-T427 VanDerWaalsContact O-N 3.17Å; A425-L428 WeakPolarHBondContact O-CB 3.43Å; A425-L428 WeakPolarHBondContact O-CG 3.47Å; A425-L428 PolarHBondContact O-N 3.42Å
426A93.5Very high89.5Confident0 Ų028.4 Ų28.40%017%0.166CC..THydrogen-bonded Turntrans-72.7-2.1178.600000113.6H291 V292 N295 Y299 T422 N423 T424 P429H291-A426 HydrophobicContact CB-CB 3.93Å; H291-A426 WeakPolarHBondContact CD2-CB 3.32Å; V292-A426 HydrophobicContact CG2-CB 4.12Å; N295-A426 HydrophobicContact CB-CB 4.22Å; N295-A426 WeakPolarHBondContact CB-O 3.19Å; N295-A426 VanDerWaalsContact ND2-CB 3.28Å; N295-A426 WeakPolarHBondContact ND2-CB 3.29Å; N295-A426 PolarHBondContact ND2-O 3.03Å; Y299-A426 WeakPolarHBondContact CE2-O 3.46Å; T422-A426 WeakPolarHBondContact O-CB 3.26Å; T422-A426 PolarHBondContact O-N 3.46Å; N423-A426 CarbonylContact O-C 3.57Å; N423-A426 PolarHBondContact O-N 3.47Å; T424-A426 VanDerWaalsContact C-N 3.35Å; T424-A426 PolarHBondContact O-N 2.86Å; A426-P429 WeakPolarHBondContact O-CD 3.34Å
427T92.1Very high90.2Very high0 Ų027.5 Ų27.50%015%0.153CC..THydrogen-bonded Turntrans-81.6-25.5170.5-61.50000111.9F63 Y66 I67 Q70 N423 T424 A425 P429 G430F63-T427 HydrophobicContact CB-CG2 4.32Å; F63-T427 HydrophobicContact CD1-CG2 4Å; Y66-T427 HydrophobicContact CD1-CG2 3.73Å; Y66-T427 HydrophobicContact CE1-CG2 4.5Å; I67-T427 HydrophobicContact CB-CG2 3.91Å; I67-T427 HydrophobicContact CG1-CG2 4.34Å; Q70-T427 PolarHBondContact NE2-OG1 2.97Å; Q70-T427 VanDerWaalsContact NE2-OG1 3.1Å; N423-T427 PolarHBondContact O-N 2.94Å; N423-T427 PolarHBondContact O-OG1 2.93Å; T424-T427 WeakPolarHBondContact O-CB 3.38Å; T424-T427 PolarHBondContact O-N 2.88Å; T424-T427 VanDerWaalsContact O-N 3.1Å; A425-T427 PolarHBondContact O-N 3.47Å; A425-T427 VanDerWaalsContact O-N 3.17Å; T427-P429 VanDerWaalsContact C-CD 3.42Å; T427-G430 PolarHBondContact O-N 2.92Å
428L92.6Very high90.5Very high72 Ų7225.7 Ų25.738%0.37715%0.145SC..Hα-helixtrans-54.2-40.3-178.9-65.1172.7000114.6I67 A425 G430 I431 F432I67-L428 HydrophobicContact CD1-CD2 3.83Å; I67-L428 HydrophobicContact CD1-CG 4.23Å; A425-L428 WeakPolarHBondContact O-CB 3.43Å; A425-L428 WeakPolarHBondContact O-CG 3.47Å; A425-L428 PolarHBondContact O-N 3.42Å; L428-G430 PolarHBondContact O-N 3.2Å; L428-G430 VanDerWaalsContact O-N 3.14Å; L428-I431 HydrophobicContact CD2-CD1 4.32Å; L428-I431 WeakPolarHBondContact O-CB 3.49Å; L428-I431 PolarHBondContact O-N 3.42Å; L428-F432 HydrophobicContact CB-CD2 4.37Å; L428-F432 HydrophobicContact CB-CE2 4.39Å; L428-F432 HydrophobicContact CD2-CE2 4.45Å; L428-F432 WeakPolarHBondContact O-CD2 3.22Å; L428-F432 PolarHBondContact O-N 2.95Å; L428-F432 VanDerWaalsContact O-N 3.13Å
429P93.9Very high90.7Very high5 Ų532.7 Ų32.73%0.03217%0.172CC..Hα-helixtrans-61.3-21.7176.4-23.434.6000114.4V292 W296 A426 T427 I431 G433V292-P429 HydrophobicContact CG1-CG 3.92Å; W296-P429 HydrophobicContact CB-CB 3.81Å; W296-P429 HydrophobicContact CB-CG 4.26Å; W296-P429 HydrophobicContact CD2-CB 4.31Å; W296-P429 HydrophobicContact CE3-CB 3.77Å; W296-P429 HydrophobicContact CE3-CG 4.38Å; W296-P429 HydrophobicContact CG-CB 4.41Å; A426-P429 WeakPolarHBondContact O-CD 3.34Å; T427-P429 VanDerWaalsContact C-CD 3.42Å; P429-I431 VanDerWaalsContact C-N 3.27Å; P429-I431 PolarHBondContact O-N 3.22Å; P429-G433 WeakPolarHBondContact O-CA 3.43Å; P429-G433 PolarHBondContact O-N 3.46Å
430G90.7Very high90.8Very high0 Ų030.7 Ų30.70%016%0.163CC..Hα-helixtrans-68.3-28.8172.600000112.8F63 T427 L428 P434F63-G430 WeakPolarHBondContact CD2-O 3.21Å; F63-G430 VanDerWaalsContact CE2-CA 3.48Å; F63-G430 WeakPolarHBondContact CE2-O 3.25Å; F63-G430 VanDerWaalsContact CZ-CA 3.49Å; T427-G430 PolarHBondContact O-N 2.92Å; L428-G430 PolarHBondContact O-N 3.2Å; L428-G430 VanDerWaalsContact O-N 3.14Å; G430-P434 WeakPolarHBondContact O-CD 3.36Å; G430-P434 WeakPolarHBondContact O-CG 3.49Å
431I91.1Very high90.9Very high1 Ų128.3 Ų28.31%0.00515%0.146CC..Hα-helixtrans-76.7-55.6173.7-58.7170.7000109.4F63 W64 L428 P429 L435F63-I431 HydrophobicContact CB-CD1 4.42Å; F63-I431 HydrophobicContact CB-CG1 3.47Å; F63-I431 VanDerWaalsContact CB-CG1 3.47Å; W64-I431 HydrophobicContact CD2-CD1 3.82Å; W64-I431 HydrophobicContact CD2-CG2 4.44Å; W64-I431 HydrophobicContact CE3-CD1 4.08Å; W64-I431 HydrophobicContact CG-CD1 4.15Å; W64-I431 HydrophobicContact CG-CG1 4.43Å; W64-I431 HydrophobicContact CZ2-CD1 4.41Å; W64-I431 HydrophobicContact CZ2-CG2 3.95Å; W64-I431 HydrophobicContact CZ3-CD1 4.47Å; W64-I431 VanDerWaalsContact NE1-CG2 3.29Å; L428-I431 HydrophobicContact CD2-CD1 4.32Å; L428-I431 WeakPolarHBondContact O-CB 3.49Å; L428-I431 PolarHBondContact O-N 3.42Å; P429-I431 VanDerWaalsContact C-N 3.27Å; P429-I431 PolarHBondContact O-N 3.22Å; I431-L435 HydrophobicContact CG2-CD1 4.34Å; I431-L435 WeakPolarHBondContact O-CD1 3.19Å; I431-L435 WeakPolarHBondContact O-CG 3.45Å
432F91.9Very high90.6Very high103 Ų10332.6 Ų32.645%0.45216%0.159SC..Hα-helixtrans-80.1-30.4-169.5-64.8-65.4000114.1W296 L428 L435 V436W296-F432 HydrophobicContact CZ3-CB 4.17Å; L428-F432 HydrophobicContact CB-CD2 4.37Å; L428-F432 HydrophobicContact CB-CE2 4.39Å; L428-F432 HydrophobicContact CD2-CE2 4.45Å; L428-F432 WeakPolarHBondContact O-CD2 3.22Å; L428-F432 PolarHBondContact O-N 2.95Å; L428-F432 VanDerWaalsContact O-N 3.13Å; F432-L435 HydrophobicContact CD1-CD1 4.48Å; F432-L435 WeakPolarHBondContact O-CB 3.4Å; F432-L435 PolarHBondContact O-N 2.89Å; F432-V436 WeakPolarHBondContact O-CG2 3.4Å; F432-V436 PolarHBondContact O-N 2.82Å
433G92.9Very high89.8Confident1 Ų136.8 Ų36.81%0.0118%0.181CC..Hα-helixtrans-56.6-59.9-178.700000112.5P429 L435 V436 I437P429-G433 WeakPolarHBondContact O-CA 3.43Å; P429-G433 PolarHBondContact O-N 3.46Å; G433-L435 PolarHBondContact O-N 3.19Å; G433-V436 PolarHBondContact O-N 3.07Å; G433-I437 WeakPolarHBondContact O-CG1 3.5Å; G433-I437 PolarHBondContact O-N 3.26Å
434P90.5Very high89.2Confident2 Ų236.5 Ų36.51%0.01318%0.182CC..Hα-helixtrans-58.6-30.8176.9-25.936.1000114L59 T303 G430 G438L59-P434 HydrophobicContact CB-CB 4.21Å; T303-P434 HydrophobicContact CG2-CB 4.32Å; T303-P434 HydrophobicContact CG2-CG 3.8Å; G430-P434 WeakPolarHBondContact O-CD 3.36Å; G430-P434 WeakPolarHBondContact O-CG 3.49Å; P434-G438 PolarHBondContact O-N 3.4Å
435L91.2Very high88.7Confident37 Ų3735.3 Ų35.319%0.19417%0.174CC..Hα-helixtrans-69.1-45.6176.1-68174.7000112.2L53 L57 I431 F432 G433 I437 G438 Y439L53-L435 HydrophobicContact CD1-CD2 4.35Å; L57-L435 HydrophobicContact CB-CD2 4.37Å; L57-L435 HydrophobicContact CD2-CD2 3.55Å; L57-L435 HydrophobicContact CG-CD2 3.66Å; I431-L435 HydrophobicContact CG2-CD1 4.34Å; I431-L435 WeakPolarHBondContact O-CD1 3.19Å; I431-L435 WeakPolarHBondContact O-CG 3.45Å; F432-L435 HydrophobicContact CD1-CD1 4.48Å; F432-L435 WeakPolarHBondContact O-CB 3.4Å; F432-L435 PolarHBondContact O-N 2.89Å; G433-L435 PolarHBondContact O-N 3.19Å; L435-I437 VanDerWaalsContact C-N 3.31Å; L435-I437 PolarHBondContact O-N 3.38Å; L435-G438 PolarHBondContact O-N 2.88Å; L435-Y439 WeakPolarHBondContact O-CB 3.41Å; L435-Y439 PolarHBondContact O-N 2.96Å
436V93.3Very high88.3Confident48 Ų4834.6 Ų34.629%0.29117%0.168SC..Hα-helixtrans-62.2-42.8175.5170.80000110.1W296 F432 G433 Y439 V440 I456W296-V436 HydrophobicContact CH2-CG2 4.08Å; F432-V436 WeakPolarHBondContact O-CG2 3.4Å; F432-V436 PolarHBondContact O-N 2.82Å; G433-V436 PolarHBondContact O-N 3.07Å; V436-Y439 PolarHBondContact O-N 3.35Å; V436-V440 HydrophobicContact CG1-CG2 4.24Å; V436-V440 WeakPolarHBondContact O-CB 3.47Å; V436-V440 VanDerWaalsContact O-CG2 3.29Å; V436-V440 WeakPolarHBondContact O-CG2 3.21Å; V436-V440 PolarHBondContact O-N 3.4Å; V436-I456 HydrophobicContact CG1-CD1 4.07Å
437I91.5Very high87.9Confident12 Ų1235.5 Ų35.56%0.06217%0.173CC..Hα-helixtrans-60.5-51.5176.1-65.4172.9000110.3S304 G433 L435 Y439 V440 T441 W450 V453S304-I437 WeakPolarHBondContact OG-CD1 3.31Å; G433-I437 WeakPolarHBondContact O-CG1 3.5Å; G433-I437 PolarHBondContact O-N 3.26Å; L435-I437 VanDerWaalsContact C-N 3.31Å; L435-I437 PolarHBondContact O-N 3.38Å; I437-Y439 PolarHBondContact O-N 3.22Å; I437-V440 PolarHBondContact O-N 3.31Å; I437-T441 HydrophobicContact CG2-CG2 4.29Å; I437-T441 PolarHBondContact O-N 2.82Å; I437-T441 PolarHBondContact O-OG1 3.11Å; I437-W450 HydrophobicContact CG2-CH2 4.07Å; I437-W450 HydrophobicContact CG2-CZ2 4.42Å; I437-W450 HydrophobicContact CG2-CZ3 4.49Å; I437-V453 HydrophobicContact CD1-CG1 4.07Å; I437-V453 HydrophobicContact CG1-CG1 3.69Å; I437-V453 HydrophobicContact CG1-CG2 4.19Å
438G88Confident87.6Confident5 Ų541.2 Ų41.25%0.05220%0.199CC..Hα-helixtrans-58.2-35.4178.500000113.3R52 P434 L435 R442R52-G438 VanDerWaalsContact CB-O 3.26Å; R52-G438 WeakPolarHBondContact CB-O 3.39Å; P434-G438 PolarHBondContact O-N 3.4Å; L435-G438 PolarHBondContact O-N 2.88Å; G438-R442 PolarHBondContact O-N 3.5Å
439Y90.5Very high87.5Confident149 Ų14938.9 Ų38.958%0.58419%0.187SC*.Hα-helixtrans-71-46.6175.1179.8-97.1000112.7L435 V436 I437 R442L435-Y439 WeakPolarHBondContact O-CB 3.41Å; L435-Y439 PolarHBondContact O-N 2.96Å; V436-Y439 PolarHBondContact O-N 3.35Å; I437-Y439 PolarHBondContact O-N 3.22Å; Y439-R442 WeakPolarHBondContact O-CB 3.35Å; Y439-R442 WeakPolarHBondContact O-CD 3.21Å; Y439-R442 WeakPolarHBondContact O-CG 3.47Å; Y439-R442 PolarHBondContact O-N 3.42Å
440V90.9Very high87.3Confident26 Ų2638.9 Ų38.916%0.15819%0.187CC..Hα-helixtrans-67.8-39.4-178.8172.90000111V436 I437 R442 N449 I452 V453V436-V440 HydrophobicContact CG1-CG2 4.24Å; V436-V440 WeakPolarHBondContact O-CB 3.47Å; V436-V440 VanDerWaalsContact O-CG2 3.29Å; V436-V440 WeakPolarHBondContact O-CG2 3.21Å; V436-V440 PolarHBondContact O-N 3.4Å; I437-V440 PolarHBondContact O-N 3.31Å; V440-R442 VanDerWaalsContact C-N 3.29Å; V440-R442 PolarHBondContact O-N 3.21Å; V440-N449 HydrophobicContact CG1-CB 4.15Å; V440-N449 VanDerWaalsContact CG1-O 3.3Å; V440-N449 WeakPolarHBondContact CG1-O 3.46Å; V440-I452 HydrophobicContact CG1-CB 4.01Å; V440-I452 HydrophobicContact CG1-CG2 4.02Å; V440-I452 HydrophobicContact CG2-CG2 4.4Å; V440-V453 HydrophobicContact CB-CG2 4.02Å; V440-V453 HydrophobicContact CG1-CG2 3.84Å
441T86.6Confident87.4Confident5 Ų542.1 Ų42.13%0.03120%0.202CC..THydrogen-bonded Turntrans-88.811.7-179.9680000113.5I437 N443 N449 V453I437-T441 HydrophobicContact CG2-CG2 4.29Å; I437-T441 PolarHBondContact O-N 2.82Å; I437-T441 PolarHBondContact O-OG1 3.11Å; T441-N443 VanDerWaalsContact C-N 3.32Å; T441-N443 PolarHBondContact O-N 3.25Å; T441-N449 HydrophobicContact CG2-CB 4.45Å; T441-V453 HydrophobicContact CG2-CG2 4.5Å
442R81.3Confident87.5Confident125 Ų12545.5 Ų45.547%0.47222%0.22SC..SBendtrans-58.1-38.6-172.971.5-179.4175.796.2-8.6114.3G438 Y439 V440G438-R442 PolarHBondContact O-N 3.5Å; Y439-R442 WeakPolarHBondContact O-CB 3.35Å; Y439-R442 WeakPolarHBondContact O-CD 3.21Å; Y439-R442 WeakPolarHBondContact O-CG 3.47Å; Y439-R442 PolarHBondContact O-N 3.42Å; V440-R442 VanDerWaalsContact C-N 3.29Å; V440-R442 PolarHBondContact O-N 3.21Å
443N75.3Confident87.6Confident91 Ų9141.2 Ų41.249%0.48720%0.202SC..SBendtrans-95.4-32.1-173.3-67.8-22.6000112T441T441-N443 VanDerWaalsContact C-N 3.32Å; T441-N443 PolarHBondContact O-N 3.25Å
444S76.4Confident87.7Confident28 Ų2841.3 Ų41.320%0.19620%0.202CC..  trans-157.1145.2176.4650000110.3S446 N449S444-S446 PolarHBondContact O-N 3.15Å; S444-S446 PolarHBondContact OG-OG 3.4Å; S444-N449 PolarHBondContact O-ND2 2.92Å; S444-N449 PolarHBondContact OG-ND2 3.2Å
445S77.1Confident87.9Confident7 Ų743.1 Ų43.15%0.04922%0.221CC..  trans-87.638.8167.9-66.50000110.9V312V312-S445 WeakPolarHBondContact CG2-O 3.43Å
446S82.9Confident88.2Confident9 Ų944.2 Ų44.26%0.06323%0.226CC..  trans-69.6156.3-179.265.90000111.6S444 H448 N449 W450S444-S446 PolarHBondContact O-N 3.15Å; S444-S446 PolarHBondContact OG-OG 3.4Å; S446-H448 PolarHBondContact O-N 3.18Å; S446-N449 PolarHBondContact O-N 3.22Å; S446-N449 PolarHBondContact OG-N 3.02Å; S446-W450 PolarHBondContact O-N 2.93Å
447I84.6Confident88.3Confident19 Ų1942.2 Ų42.210%0.09722%0.215CC..Hα-helixtrans-52.4-40.6173.6-66.8166.2000110.7F27 V312 C380 N449 W450 M451F27-I447 HydrophobicContact CB-CD1 4.49Å; F27-I447 WeakPolarHBondContact O-CD1 3.28Å; F27-I447 WeakPolarHBondContact O-CG1 3.27Å; V312-I447 HydrophobicContact CG1-CD1 4.5Å; V312-I447 HydrophobicContact CG1-CG1 3.5Å; V312-I447 VanDerWaalsContact CG1-CG1 3.5Å; C380-I447 VanDerWaalsContact SG-CD1 3.57Å; I447-N449 PolarHBondContact O-N 3.23Å; I447-W450 CarbonylContact O-C 3.52Å; I447-W450 WeakPolarHBondContact O-CA 3.45Å; I447-W450 WeakPolarHBondContact O-CB 3.4Å; I447-W450 PolarHBondContact O-N 3.1Å; I447-W450 VanDerWaalsContact O-N 3.11Å; I447-M451 HydrophobicContact CG2-CG 4.24Å; I447-M451 HydrophobicContact CG2-SD 4.35Å; I447-M451 VanDerWaalsContact O-CG 3.32Å; I447-M451 WeakPolarHBondContact O-CG 3.49Å; I447-M451 PolarHBondContact O-N 3.46Å
448H86.5Confident88.6Confident120 Ų12041.8 Ų41.856%0.55621%0.213SC*.Hα-helixtrans-59.5-44.7-179.8-174.274.7000113.4S446 W450 M451 I452S446-H448 PolarHBondContact O-N 3.18Å; H448-W450 VanDerWaalsContact C-N 3.27Å; H448-W450 PolarHBondContact O-N 3.24Å; H448-M451 WeakPolarHBondContact O-CB 3.36Å; H448-M451 PolarHBondContact O-N 3.37Å; H448-M451 VanDerWaalsContact O-N 3.15Å; H448-I452 PolarHBondContact O-N 3.35Å
449N90.2Very high89Confident24 Ų2443.6 Ų43.613%0.12823%0.231CC..Hα-helixtrans-65.4-35.9177.1-71.2-15.9000111.2V440 T441 S444 S446 I447 I452 V453V440-N449 HydrophobicContact CG1-CB 4.15Å; V440-N449 VanDerWaalsContact CG1-O 3.3Å; V440-N449 WeakPolarHBondContact CG1-O 3.46Å; T441-N449 HydrophobicContact CG2-CB 4.45Å; S444-N449 PolarHBondContact O-ND2 2.92Å; S444-N449 PolarHBondContact OG-ND2 3.2Å; S446-N449 PolarHBondContact O-N 3.22Å; S446-N449 PolarHBondContact OG-N 3.02Å; I447-N449 PolarHBondContact O-N 3.23Å; N449-I452 WeakPolarHBondContact O-CB 3.33Å; N449-I452 PolarHBondContact O-N 3.37Å; N449-V453 PolarHBondContact O-N 2.97Å; N449-V453 VanDerWaalsContact O-N 3.1Å
450W90.8Very high89.3Confident5 Ų538.6 Ų38.62%0.01921%0.214CC..Hα-helixtrans-70.1-30.8173.4-80.3100.9000113.5S304 T307 Y308 V312 I437 S446 I447 H448 I452 V453 F454S304-W450 WeakPolarHBondContact O-CH2 3.32Å; T307-W450 HydrophobicContact CG2-CZ2 4.25Å; Y308-W450 HydrophobicContact CD2-CB 4.1Å; Y308-W450 AromaticContact CD2-CD2 3.45Å; Y308-W450 HydrophobicContact CD2-CD2 3.45Å; Y308-W450 VanDerWaalsContact CD2-CD2 3.45Å; Y308-W450 AromaticContact CD2-CE2 3.78Å; Y308-W450 AromaticContact CD2-CE3 3.74Å; Y308-W450 HydrophobicContact CD2-CE3 3.74Å; Y308-W450 AromaticContact CD2-CG 3.62Å; Y308-W450 HydrophobicContact CD2-CG 3.62Å; Y308-W450 HydrophobicContact CD2-CZ2 4.3Å; Y308-W450 HydrophobicContact CD2-CZ3 4.27Å; Y308-W450 HydrophobicContact CE2-CB 3.85Å; Y308-W450 HydrophobicContact CE2-CD2 4.14Å; Y308-W450 HydrophobicContact CE2-CE3 4.47Å; Y308-W450 AromaticContact CE2-CG 3.87Å; Y308-W450 HydrophobicContact CE2-CG 3.87Å; Y308-W450 HydrophobicContact CG-CD2 4.43Å; Y308-W450 HydrophobicContact CG-CE3 4.47Å; V312-W450 HydrophobicContact CG2-CG 4.1Å; V312-W450 VanDerWaalsContact CG2-NE1 3.29Å; I437-W450 HydrophobicContact CG2-CH2 4.07Å; I437-W450 HydrophobicContact CG2-CZ2 4.42Å; I437-W450 HydrophobicContact CG2-CZ3 4.49Å; S446-W450 PolarHBondContact O-N 2.93Å; I447-W450 CarbonylContact O-C 3.52Å; I447-W450 WeakPolarHBondContact O-CA 3.45Å; I447-W450 WeakPolarHBondContact O-CB 3.4Å; I447-W450 PolarHBondContact O-N 3.1Å; I447-W450 VanDerWaalsContact O-N 3.11Å; H448-W450 VanDerWaalsContact C-N 3.27Å; H448-W450 PolarHBondContact O-N 3.24Å; W450-I452 VanDerWaalsContact C-N 3.26Å; W450-I452 PolarHBondContact O-N 2.87Å; W450-V453 HydrophobicContact CE3-CB 4.06Å; W450-V453 HydrophobicContact CE3-CG1 3.91Å; W450-V453 HydrophobicContact CE3-CG2 4.43Å; W450-V453 HydrophobicContact CZ3-CG1 3.98Å; W450-V453 PolarHBondContact O-N 2.89Å; W450-F454 HydrophobicContact CB-CE2 4.15Å; W450-F454 HydrophobicContact CD2-CZ 4.4Å; W450-F454 HydrophobicContact CE3-CD1 4.44Å; W450-F454 AromaticContact CE3-CE1 3.67Å; W450-F454 HydrophobicContact CE3-CE1 3.67Å; W450-F454 HydrophobicContact CE3-CE2 4.27Å; W450-F454 AromaticContact CE3-CZ 3.55Å; W450-F454 HydrophobicContact CE3-CZ 3.55Å; W450-F454 AromaticContact CZ3-CE1 3.93Å; W450-F454 HydrophobicContact CZ3-CE1 3.93Å; W450-F454 HydrophobicContact CZ3-CZ 4.08Å; W450-F454 WeakPolarHBondContact O-CB 3.49Å; W450-F454 VanDerWaalsContact O-CD2 3.23Å; W450-F454 WeakPolarHBondContact O-CD2 3.3Å; W450-F454 VanDerWaalsContact O-CG 3.26Å; W450-F454 WeakPolarHBondContact O-CG 3.49Å; W450-F454 PolarHBondContact O-N 3.3Å
451M92.1Very high89.7Confident68 Ų6837.4 Ų37.434%0.33521%0.207SC..Hα-helixtrans-60.6-38.2169.8-63.9172.976.100111.1L377 I447 H448 G455L377-M451 HydrophobicContact CD2-CE 4.35Å; I447-M451 HydrophobicContact CG2-CG 4.24Å; I447-M451 HydrophobicContact CG2-SD 4.35Å; I447-M451 VanDerWaalsContact O-CG 3.32Å; I447-M451 WeakPolarHBondContact O-CG 3.49Å; I447-M451 PolarHBondContact O-N 3.46Å; H448-M451 WeakPolarHBondContact O-CB 3.36Å; H448-M451 PolarHBondContact O-N 3.37Å; H448-M451 VanDerWaalsContact O-N 3.15Å; M451-G455 PolarHBondContact O-N 3.29Å
452I93.2Very high90.2Very high72 Ų7242 Ų4237%0.36922%0.224SC..Hα-helixtrans-64.9-47.3174-61169.5000110.5V440 H448 N449 W450 F454 G455 I456V440-I452 HydrophobicContact CG1-CB 4.01Å; V440-I452 HydrophobicContact CG1-CG2 4.02Å; V440-I452 HydrophobicContact CG2-CG2 4.4Å; H448-I452 PolarHBondContact O-N 3.35Å; N449-I452 WeakPolarHBondContact O-CB 3.33Å; N449-I452 PolarHBondContact O-N 3.37Å; W450-I452 VanDerWaalsContact C-N 3.26Å; W450-I452 PolarHBondContact O-N 2.87Å; I452-F454 PolarHBondContact O-N 3.19Å; I452-G455 PolarHBondContact O-N 3.22Å; I452-I456 HydrophobicContact CG2-CD1 4.04Å; I452-I456 WeakPolarHBondContact O-CG1 3.41Å; I452-I456 PolarHBondContact O-N 2.77Å
453V93.9Very high91Very high12 Ų1241.2 Ų41.27%0.07322%0.224CC..Hα-helixtrans-56.6-49.5177.2169.40000111.3I437 V440 T441 N449 W450 I456 A457I437-V453 HydrophobicContact CD1-CG1 4.07Å; I437-V453 HydrophobicContact CG1-CG1 3.69Å; I437-V453 HydrophobicContact CG1-CG2 4.19Å; V440-V453 HydrophobicContact CB-CG2 4.02Å; V440-V453 HydrophobicContact CG1-CG2 3.84Å; T441-V453 HydrophobicContact CG2-CG2 4.5Å; N449-V453 PolarHBondContact O-N 2.97Å; N449-V453 VanDerWaalsContact O-N 3.1Å; W450-V453 HydrophobicContact CE3-CB 4.06Å; W450-V453 HydrophobicContact CE3-CG1 3.91Å; W450-V453 HydrophobicContact CE3-CG2 4.43Å; W450-V453 HydrophobicContact CZ3-CG1 3.98Å; W450-V453 PolarHBondContact O-N 2.89Å; V453-I456 PolarHBondContact O-N 2.95Å; V453-A457 PolarHBondContact O-N 2.68Å; V453-A457 VanDerWaalsContact O-N 3.13Å
454F95.1Very high92Very high4 Ų436.9 Ų36.92%0.01820%0.201CC..Hα-helixtrans-68.3-34.9179-62.4-31.5000112.1L301 Y308 L372 V375 F389 W450 I452 A457 A458L301-F454 HydrophobicContact CD2-CE1 4.24Å; Y308-F454 HydrophobicContact CD2-CE2 4.09Å; Y308-F454 AromaticContact CD2-CZ 3.72Å; Y308-F454 HydrophobicContact CD2-CZ 3.72Å; Y308-F454 HydrophobicContact CE1-CZ 4.49Å; Y308-F454 AromaticContact CE2-CE2 3.57Å; Y308-F454 HydrophobicContact CE2-CE2 3.57Å; Y308-F454 AromaticContact CE2-CZ 3.69Å; Y308-F454 HydrophobicContact CE2-CZ 3.69Å; Y308-F454 HydrophobicContact CG-CZ 4.13Å; Y308-F454 AromaticContact CZ-CE2 3.86Å; L372-F454 HydrophobicContact CB-CB 4.29Å; L372-F454 HydrophobicContact CD2-CD1 4.14Å; V375-F454 HydrophobicContact CG1-CE2 4.23Å; F389-F454 HydrophobicContact CE1-CE1 4.38Å; F389-F454 HydrophobicContact CE1-CZ 4.29Å; F389-F454 HydrophobicContact CZ-CE1 4.21Å; F389-F454 HydrophobicContact CZ-CE2 4.28Å; F389-F454 AromaticContact CZ-CZ 3.7Å; F389-F454 HydrophobicContact CZ-CZ 3.7Å; W450-F454 HydrophobicContact CB-CE2 4.15Å; W450-F454 HydrophobicContact CD2-CZ 4.4Å; W450-F454 HydrophobicContact CE3-CD1 4.44Å; W450-F454 AromaticContact CE3-CE1 3.67Å; W450-F454 HydrophobicContact CE3-CE1 3.67Å; W450-F454 HydrophobicContact CE3-CE2 4.27Å; W450-F454 AromaticContact CE3-CZ 3.55Å; W450-F454 HydrophobicContact CE3-CZ 3.55Å; W450-F454 AromaticContact CZ3-CE1 3.93Å; W450-F454 HydrophobicContact CZ3-CE1 3.93Å; W450-F454 HydrophobicContact CZ3-CZ 4.08Å; W450-F454 WeakPolarHBondContact O-CB 3.49Å; W450-F454 VanDerWaalsContact O-CD2 3.23Å; W450-F454 WeakPolarHBondContact O-CD2 3.3Å; W450-F454 VanDerWaalsContact O-CG 3.26Å; W450-F454 WeakPolarHBondContact O-CG 3.49Å; W450-F454 PolarHBondContact O-N 3.3Å; I452-F454 PolarHBondContact O-N 3.19Å; F454-A457 PolarHBondContact O-N 3.16Å; F454-A458 VanDerWaalsContact O-CB 3.23Å; F454-A458 WeakPolarHBondContact O-CB 3.17Å; F454-A458 PolarHBondContact O-N 3.25Å
455G95.4Very high93Very high39 Ų3935.6 Ų35.640%0.40219%0.192SC..Hα-helixtrans-62.7-43.1174.100000112.9M451 I452 A458 G459M451-G455 PolarHBondContact O-N 3.29Å; I452-G455 PolarHBondContact O-N 3.22Å; G455-A458 PolarHBondContact O-N 2.92Å; G455-G459 PolarHBondContact O-N 3.36Å
456I96Very high94Very high61 Ų6138.9 Ų38.931%0.31321%0.209SC..Hα-helixtrans-61.5-49.3174.5-67.4166.3000110.3W296 V436 I452 V453 A458 G459 I460W296-I456 HydrophobicContact CZ2-CG2 3.97Å; V436-I456 HydrophobicContact CG1-CD1 4.07Å; I452-I456 HydrophobicContact CG2-CD1 4.04Å; I452-I456 WeakPolarHBondContact O-CG1 3.41Å; I452-I456 PolarHBondContact O-N 2.77Å; V453-I456 PolarHBondContact O-N 2.95Å; I456-A458 VanDerWaalsContact C-N 3.32Å; I456-A458 PolarHBondContact O-N 3.31Å; I456-G459 PolarHBondContact O-N 3.49Å; I456-I460 HydrophobicContact CG2-CD1 3.91Å; I456-I460 WeakPolarHBondContact O-CG1 3.43Å; I456-I460 PolarHBondContact O-N 3.02Å
457A96.4Very high94.7Very high6 Ų640.8 Ų40.85%0.0522%0.217CC..Hα-helixtrans-61.8-39.9178.600000112.2L372 V453 F454 I460 A461L372-A457 HydrophobicContact CD1-CB 3.69Å; V453-A457 PolarHBondContact O-N 2.68Å; V453-A457 VanDerWaalsContact O-N 3.13Å; F454-A457 PolarHBondContact O-N 3.16Å; A457-I460 PolarHBondContact O-N 2.66Å; A457-A461 WeakPolarHBondContact O-CB 3.48Å; A457-A461 PolarHBondContact O-N 2.95Å
458A96.8Very high95.2Very high2 Ų239.9 Ų39.92%0.01721%0.212CC..Hα-helixtrans-65.8-42.1176.200000112.4G369 L372 I373 F454 G455 I456 A461 W462G369-A458 WeakPolarHBondContact O-CB 3.36Å; L372-A458 HydrophobicContact CB-CB 4.45Å; I373-A458 HydrophobicContact CD1-CB 4.06Å; I373-A458 HydrophobicContact CG1-CB 3.83Å; F454-A458 VanDerWaalsContact O-CB 3.23Å; F454-A458 WeakPolarHBondContact O-CB 3.17Å; F454-A458 PolarHBondContact O-N 3.25Å; G455-A458 PolarHBondContact O-N 2.92Å; I456-A458 VanDerWaalsContact C-N 3.32Å; I456-A458 PolarHBondContact O-N 3.31Å; A458-A461 PolarHBondContact O-N 2.9Å; A458-W462 PolarHBondContact O-N 2.89Å
459G97.2Very high95.7Very high43 Ų4337.8 Ų37.844%0.44321%0.205SC..Hα-helixtrans-61.2-44.6175.500000112.4G455 I456 W462 F463G455-G459 PolarHBondContact O-N 3.36Å; I456-G459 PolarHBondContact O-N 3.49Å; G459-W462 PolarHBondContact O-N 2.88Å; G459-F463 WeakPolarHBondContact O-CB 3.29Å; G459-F463 PolarHBondContact O-N 3.1Å
460I97.4Very high95.9Very high45 Ų4545.4 Ų45.423%0.23123%0.232CC..Hα-helixtrans-63.4-42.5175.4-67.6167.8000110.8C293 W296 I456 A457 F463 G464C293-I460 HydrophobicContact CB-CG2 3.99Å; C293-I460 PolarHBondContact SG-O 3.32Å; W296-I460 HydrophobicContact CB-CG2 4.2Å; W296-I460 HydrophobicContact CD2-CD1 3.5Å; W296-I460 VanDerWaalsContact CE2-CD1 3.43Å; W296-I460 HydrophobicContact CE3-CD1 3.95Å; W296-I460 HydrophobicContact CG-CD1 3.86Å; W296-I460 HydrophobicContact CG-CG2 4.26Å; W296-I460 HydrophobicContact CH2-CD1 4.29Å; W296-I460 HydrophobicContact CZ2-CD1 3.86Å; W296-I460 HydrophobicContact CZ3-CD1 4.32Å; I456-I460 HydrophobicContact CG2-CD1 3.91Å; I456-I460 WeakPolarHBondContact O-CG1 3.43Å; I456-I460 PolarHBondContact O-N 3.02Å; A457-I460 PolarHBondContact O-N 2.66Å; I460-F463 WeakPolarHBondContact O-CB 3.37Å; I460-F463 PolarHBondContact O-N 2.97Å; I460-G464 PolarHBondContact O-N 3.2Å; I460-G464 VanDerWaalsContact O-N 3.08Å
461A97.7Very high96.1Very high0 Ų047.4 Ų47.40%024%0.243CC..Hα-helixtrans-63-46.9178.200000111.7L365 L368 A457 A458 F463 G464 A465L365-A461 WeakPolarHBondContact CB-O 3.41Å; L365-A461 WeakPolarHBondContact O-CB 3.48Å; L368-A461 HydrophobicContact CD2-CB 3.99Å; L368-A461 HydrophobicContact CG-CB 4.21Å; A457-A461 WeakPolarHBondContact O-CB 3.48Å; A457-A461 PolarHBondContact O-N 2.95Å; A458-A461 PolarHBondContact O-N 2.9Å; A461-F463 PolarHBondContact O-N 3.29Å; A461-G464 PolarHBondContact O-N 2.78Å; A461-A465 PolarHBondContact O-N 3.05Å
462W97.8Very high96.3Very high103 Ų10344.4 Ų44.439%0.3923%0.228SC..Hα-helixtrans-64.5-37.4176.3-85.5109.7000113A458 G459 G464 A465 L466A458-W462 PolarHBondContact O-N 2.89Å; G459-W462 PolarHBondContact O-N 2.88Å; W462-G464 VanDerWaalsContact C-N 3.33Å; W462-G464 PolarHBondContact O-N 2.87Å; W462-A465 HydrophobicContact CE3-CB 4.23Å; W462-A465 PolarHBondContact O-N 3.23Å; W462-L466 WeakPolarHBondContact O-CB 3.31Å; W462-L466 VanDerWaalsContact O-CG 3.27Å; W462-L466 WeakPolarHBondContact O-CG 3.26Å; W462-L466 PolarHBondContact O-N 2.86Å
463F97.9Very high96.4Very high107 Ų10742 Ų4247%0.46922%0.218SC..Hα-helixtrans-55.9-48.6171.5172.1-100.3000111.2I289 G459 I460 A461 A465 L466 M467I289-F463 HydrophobicContact CG2-CD1 4.21Å; I289-F463 HydrophobicContact CG2-CE1 3.8Å; G459-F463 WeakPolarHBondContact O-CB 3.29Å; G459-F463 PolarHBondContact O-N 3.1Å; I460-F463 WeakPolarHBondContact O-CB 3.37Å; I460-F463 PolarHBondContact O-N 2.97Å; A461-F463 PolarHBondContact O-N 3.29Å; F463-A465 PolarHBondContact O-N 2.8Å; F463-L466 PolarHBondContact O-N 3.5Å; F463-M467 HydrophobicContact CD1-CG 4.43Å; F463-M467 HydrophobicContact CD2-CE 4.24Å; F463-M467 HydrophobicContact CD2-CG 4.16Å; F463-M467 HydrophobicContact CE1-CG 4.05Å; F463-M467 HydrophobicContact CE2-CE 3.84Å; F463-M467 HydrophobicContact CE2-CG 3.76Å; F463-M467 HydrophobicContact CE2-SD 4.16Å; F463-M467 HydrophobicContact CG-CG 4.49Å; F463-M467 HydrophobicContact CZ-CG 3.69Å; F463-M467 HydrophobicContact CZ-SD 4.32Å; F463-M467 WeakPolarHBondContact O-CB 3.42Å; F463-M467 VanDerWaalsContact O-CG 3.29Å; F463-M467 WeakPolarHBondContact O-CG 3.36Å; F463-M467 PolarHBondContact O-N 3.02Å
464G97.6Very high96.1Very high0 Ų042 Ų420%022%0.22CC..Hα-helixtrans-62.4-42175.800000113.4I460 A461 W462 L466 N468I460-G464 PolarHBondContact O-N 3.2Å; I460-G464 VanDerWaalsContact O-N 3.08Å; A461-G464 PolarHBondContact O-N 2.78Å; W462-G464 VanDerWaalsContact C-N 3.33Å; W462-G464 PolarHBondContact O-N 2.87Å; G464-L466 PolarHBondContact O-N 3.28Å; G464-N468 VanDerWaalsContact O-CB 3.29Å; G464-N468 WeakPolarHBondContact O-CB 3.35Å; G464-N468 PolarHBondContact O-N 3.28Å
465A97.4Very high95.9Very high1 Ų148.2 Ų48.21%0.00825%0.249CC..Hα-helixtrans-61.2-42.7177.700000112.4L365 A461 W462 F463 N468L365-A465 HydrophobicContact CB-CB 3.94Å; A461-A465 PolarHBondContact O-N 3.05Å; W462-A465 HydrophobicContact CE3-CB 4.23Å; W462-A465 PolarHBondContact O-N 3.23Å; F463-A465 PolarHBondContact O-N 2.8Å; A465-N468 WeakPolarHBondContact O-CB 3.41Å
466L97.4Very high95.5Very high77 Ų7748.9 Ų48.940%0.40324%0.243SC..Hα-helixtrans-71.3-47.3179.3-68.9172.7000111.9W462 F463 G464 N468 L469 W470W462-L466 WeakPolarHBondContact O-CB 3.31Å; W462-L466 VanDerWaalsContact O-CG 3.27Å; W462-L466 WeakPolarHBondContact O-CG 3.26Å; W462-L466 PolarHBondContact O-N 2.86Å; F463-L466 PolarHBondContact O-N 3.5Å; G464-L466 PolarHBondContact O-N 3.28Å; L466-N468 PolarHBondContact O-N 3.04Å; L466-L469 HydrophobicContact CD2-CD1 4.46Å; L466-L469 WeakPolarHBondContact O-CB 3.22Å; L466-L469 PolarHBondContact O-N 2.84Å; L466-W470 HydrophobicContact CB-CZ3 4.43Å
467M97Very high95.1Very high48 Ų4847.6 Ų47.624%0.23624%0.236CC..Hα-helixtrans-57.5-38.1176.8-72.4-58.212200112I289 F463 L469 W470 L471I289-M467 HydrophobicContact CD1-CB 4.45Å; I289-M467 HydrophobicContact CD1-CG 4.48Å; I289-M467 HydrophobicContact CG2-CB 4.1Å; I289-M467 HydrophobicContact CG2-CG 4.34Å; F463-M467 HydrophobicContact CD1-CG 4.43Å; F463-M467 HydrophobicContact CD2-CE 4.24Å; F463-M467 HydrophobicContact CD2-CG 4.16Å; F463-M467 HydrophobicContact CE1-CG 4.05Å; F463-M467 HydrophobicContact CE2-CE 3.84Å; F463-M467 HydrophobicContact CE2-CG 3.76Å; F463-M467 HydrophobicContact CE2-SD 4.16Å; F463-M467 HydrophobicContact CG-CG 4.49Å; F463-M467 HydrophobicContact CZ-CG 3.69Å; F463-M467 HydrophobicContact CZ-SD 4.32Å; F463-M467 WeakPolarHBondContact O-CB 3.42Å; F463-M467 VanDerWaalsContact O-CG 3.29Å; F463-M467 WeakPolarHBondContact O-CG 3.36Å; F463-M467 PolarHBondContact O-N 3.02Å; M467-L469 VanDerWaalsContact C-N 3.28Å; M467-L469 PolarHBondContact O-N 3.15Å; M467-W470 HydrophobicContact CE-CE3 3.98Å; M467-W470 HydrophobicContact CE-CZ3 3.53Å; M467-W470 PolarHBondContact O-N 3.07Å; M467-W470 HydrophobicContact SD-CE3 4.32Å; M467-W470 HydrophobicContact SD-CZ3 4.45Å; M467-L471 HydrophobicContact CB-CD1 4.27Å; M467-L471 WeakPolarHBondContact O-CB 3.39Å; M467-L471 WeakPolarHBondContact O-CG 3.41Å; M467-L471 PolarHBondContact O-N 2.96Å
468N96.4Very high94.5Very high0 Ų051.7 Ų51.70%026%0.262CS..Hα-helixtrans-58.2-35.3175.8159.579.8000113.5K358 N361 G464 A465 L466 W470 T472K358-N468 PolarHBondContact O-ND2 3.29Å; N361-N468 HydrophobicContact CB-CB 4.23Å; N361-N468 VanDerWaalsContact CB-CG 3.41Å; N361-N468 VanDerWaalsContact CB-OD1 3.31Å; N361-N468 WeakPolarHBondContact CB-OD1 3.32Å; N361-N468 PolarHBondContact ND2-OD1 3.26Å; G464-N468 VanDerWaalsContact O-CB 3.29Å; G464-N468 WeakPolarHBondContact O-CB 3.35Å; G464-N468 PolarHBondContact O-N 3.28Å; A465-N468 WeakPolarHBondContact O-CB 3.41Å; L466-N468 PolarHBondContact O-N 3.04Å; N468-W470 PolarHBondContact O-N 2.81Å; N468-T472 WeakPolarHBondContact O-CB 3.39Å; N468-T472 PolarHBondContact O-N 3.05Å; N468-T472 VanDerWaalsContact O-N 3.11Å; N468-T472 PolarHBondContact O-OG1 2.91Å; N468-T472 VanDerWaalsContact O-OG1 3.13Å; N468-T472 WeakPolarHBondContact OD1-CB 3.22Å; N468-T472 PolarHBondContact OD1-OG1 3.34Å
469L95.9Very high93.9Very high77 Ų7753.5 Ų53.540%0.40327%0.268SS..Hα-helixtrans-62.6-34.8-179.2-66.1177000112.1K358 V362 L466 M467K358-L469 VanDerWaalsContact CE-O 3.31Å; K358-L469 WeakPolarHBondContact CE-O 3.36Å; K358-L469 PolarHBondContact NZ-O 2.94Å; V362-L469 HydrophobicContact CG2-CD2 3.6Å; V362-L469 HydrophobicContact CG2-CG 4.22Å; L466-L469 HydrophobicContact CD2-CD1 4.46Å; L466-L469 WeakPolarHBondContact O-CB 3.22Å; L466-L469 PolarHBondContact O-N 2.84Å; M467-L469 VanDerWaalsContact C-N 3.28Å; M467-L469 PolarHBondContact O-N 3.15Å
470W94.3Very high93.2Very high184 Ų18451.6 Ų51.670%0.69725%0.248SC*.Hα-helixtrans-90.8-40.3-179.2-58.8-52000113.2L466 M467 N468L466-W470 HydrophobicContact CB-CZ3 4.43Å; M467-W470 HydrophobicContact CE-CE3 3.98Å; M467-W470 HydrophobicContact CE-CZ3 3.53Å; M467-W470 PolarHBondContact O-N 3.07Å; M467-W470 HydrophobicContact SD-CE3 4.32Å; M467-W470 HydrophobicContact SD-CZ3 4.45Å; N468-W470 PolarHBondContact O-N 2.81Å
471L95.9Very high92.2Very high47 Ų4754 Ų5425%0.24626%0.255CS..Hα-helixtrans-92.4-27.9-169.1-61.5174.7000114.2A282 P283 I289 M467 S473A282-L471 HydrophobicContact CB-CD2 3.93Å; P283-L471 VanDerWaalsContact CA-O 3.31Å; P283-L471 WeakPolarHBondContact CA-O 3.5Å; I289-L471 HydrophobicContact CD1-CD1 3.86Å; M467-L471 HydrophobicContact CB-CD1 4.27Å; M467-L471 WeakPolarHBondContact O-CB 3.39Å; M467-L471 WeakPolarHBondContact O-CG 3.41Å; M467-L471 PolarHBondContact O-N 2.96Å; L471-S473 PolarHBondContact O-N 3.22Å
472T96Very high90.8Very high4 Ų454.6 Ų54.63%0.02526%0.258CS..  trans-69.8128.3-174-65.90000111.7S286 T354 R357 K358 N468S286-T472 PolarHBondContact OG-N 3.23Å; S286-T472 PolarHBondContact OG-OG1 3.44Å; T354-T472 WeakPolarHBondContact CG2-O 3.07Å; R357-T472 HydrophobicContact CB-CG2 3.83Å; K358-T472 WeakPolarHBondContact CE-O 3.42Å; K358-T472 HydrophobicContact CG-CG2 3.9Å; N468-T472 WeakPolarHBondContact O-CB 3.39Å; N468-T472 PolarHBondContact O-N 3.05Å; N468-T472 VanDerWaalsContact O-N 3.11Å; N468-T472 PolarHBondContact O-OG1 2.91Å; N468-T472 VanDerWaalsContact O-OG1 3.13Å; N468-T472 WeakPolarHBondContact OD1-CB 3.22Å; N468-T472 PolarHBondContact OD1-OG1 3.34Å
473S94.5Very high89Confident22 Ų2252.3 Ų52.315%0.15425%0.252CS..  trans-130144164.1-178.50000108.3N406 L410 L471 E475N406-S473 PolarHBondContact ND2-O 3.09Å; N406-S473 PolarHBondContact OD1-O 2.61Å; L410-S473 WeakPolarHBondContact CD2-O 3.17Å; L471-S473 PolarHBondContact O-N 3.22Å; S473-E475 PolarHBondContact OG-N 3.16Å; S473-E475 VanDerWaalsContact OG-N 3.16Å
474G87.9Confident87.2Confident11 Ų1148.7 Ų48.711%0.11324%0.236CC..  trans-104.817.2169.600000112.4T354T354-G474 PolarHBondContact OG1-N 3.18Å
475E90.3Very high85Confident135 Ų13551 Ų5163%0.63125%0.248SC*.SBendtrans-93.2137.4178-64.8-179.6-179.900111.8L410 S473 Q477L410-E475 WeakPolarHBondContact CD2-O 3.32Å; S473-E475 PolarHBondContact OG-N 3.16Å; S473-E475 VanDerWaalsContact OG-N 3.16Å; E475-Q477 PolarHBondContact O-N 3.24Å; E475-Q477 PolarHBondContact O-NE2 3.16Å; E475-Q477 VanDerWaalsContact O-NE2 3.11Å
476I88.6Confident82.9Confident53 Ų5353.9 Ų53.927%0.27226%0.26SS..PPolyproline II helixtrans-58123.3177.9-61.8170.4000109.7D409 L410 R481D409-I476 WeakPolarHBondContact O-CG1 3.46Å; L410-I476 WeakPolarHBondContact O-CA 3.43Å; I476-R481 HydrophobicContact CG2-CG 4.25Å
477Q87.9Confident80.5Confident34 Ų3452.8 Ų52.816%0.15926%0.257CS..PPolyproline II helixtrans-73.2142-179.7-61.6-64.1-68.300111.1L410 E475 W479 S480L410-Q477 HydrophobicContact CB-CG 4.31Å; L410-Q477 HydrophobicContact CD2-CG 3.98Å; L410-Q477 PolarHBondContact O-N 2.95Å; E475-Q477 PolarHBondContact O-N 3.24Å; E475-Q477 PolarHBondContact O-NE2 3.16Å; E475-Q477 VanDerWaalsContact O-NE2 3.11Å; Q477-W479 HydrophobicContact CB-CD2 4.02Å; Q477-W479 VanDerWaalsContact CB-CE2 3.44Å; Q477-W479 HydrophobicContact CB-CG 4.28Å; Q477-W479 HydrophobicContact CB-CZ2 3.74Å; Q477-W479 HydrophobicContact CG-CZ2 3.81Å; Q477-W479 PolarHBondContact O-N 2.7Å; Q477-W479 VanDerWaalsContact O-N 3.13Å; Q477-S480 PolarHBondContact O-N 3.21Å
478P83.4Confident78.3Confident92 Ų9255.2 Ų55.260%0.59727%0.271SS*.G310 helixtrans-55.6-36.7-175.5-2734.1000114S480 R481P478-S480 PolarHBondContact O-N 2.99Å; P478-R481 PolarHBondContact O-N 2.75Å
479W84.4Confident76Confident40 Ų4061.4 Ų61.415%0.15230%0.304CS..G310 helixtrans-72.5-13.6179.653-103.2000114.6P274 Q277 I278 V284 A411 Y414 I418 Q477P274-W479 HydrophobicContact CG-CE3 3.95Å; Q277-W479 HydrophobicContact CB-CB 4.39Å; Q277-W479 HydrophobicContact CB-CG 4.08Å; I278-W479 HydrophobicContact CG1-CE3 4.49Å; I278-W479 HydrophobicContact CG1-CH2 3.94Å; I278-W479 HydrophobicContact CG1-CZ2 4.47Å; I278-W479 HydrophobicContact CG1-CZ3 3.94Å; V284-W479 HydrophobicContact CG2-CH2 4.49Å; V284-W479 HydrophobicContact CG2-CZ2 4.21Å; A411-W479 HydrophobicContact CB-CH2 3.49Å; A411-W479 VanDerWaalsContact CB-CH2 3.49Å; A411-W479 HydrophobicContact CB-CZ3 3.51Å; Y414-W479 AromaticContact CD2-CE3 4Å; Y414-W479 HydrophobicContact CD2-CE3 4Å; Y414-W479 AromaticContact CD2-CZ3 3.77Å; Y414-W479 HydrophobicContact CD2-CZ3 3.77Å; Y414-W479 HydrophobicContact CE2-CE3 4.39Å; Y414-W479 HydrophobicContact CG-CZ3 4.37Å; I418-W479 HydrophobicContact CD1-CH2 4.06Å; Q477-W479 HydrophobicContact CB-CD2 4.02Å; Q477-W479 VanDerWaalsContact CB-CE2 3.44Å; Q477-W479 HydrophobicContact CB-CG 4.28Å; Q477-W479 HydrophobicContact CB-CZ2 3.74Å; Q477-W479 HydrophobicContact CG-CZ2 3.81Å; Q477-W479 PolarHBondContact O-N 2.7Å; Q477-W479 VanDerWaalsContact O-N 3.13Å
480S80.8Confident73.5Confident4 Ų463.1 Ų63.13%0.02831%0.313CS..G310 helixtrans-92.7-1.6173.7-171.60000113A411 I413 Q477 P478A411-S480 WeakPolarHBondContact CA-OG 3.35Å; A411-S480 VanDerWaalsContact CB-OG 3.3Å; A411-S480 WeakPolarHBondContact CB-OG 3.38Å; I413-S480 WeakPolarHBondContact CD1-O 3.23Å; Q477-S480 PolarHBondContact O-N 3.21Å; P478-S480 PolarHBondContact O-N 2.99Å
481R77Confident71Confident96 Ų9660 Ų6036%0.36231%0.31SS..SBendtrans-74.1139.5179.2-64-175.3-1741730.6110.4I476 P478 N503I476-R481 HydrophobicContact CG2-CG 4.25Å; P478-R481 PolarHBondContact O-N 2.75Å; R481-N503 PolarHBondContact NE-OD1 3.25Å; R481-N503 PolarHBondContact NH1-OD1 3.31Å
482L67.7Low68.5Low12 Ų1263.3 Ų63.36%0.06334%0.335CS..PPolyproline II helixtrans-72.7142.9173.1-76166.6000110.8L268 I413 Y484 P506L268-L482 HydrophobicContact CD1-CB 4.04Å; L268-L482 HydrophobicContact CD1-CD1 3.53Å; L268-L482 HydrophobicContact CD1-CD2 3.78Å; L268-L482 HydrophobicContact CD1-CG 3.95Å; L268-L482 HydrophobicContact CD2-CD1 3.92Å; L268-L482 HydrophobicContact CD2-CD2 3.77Å; L268-L482 HydrophobicContact CD2-CG 4.46Å; L268-L482 HydrophobicContact CG-CD1 4.18Å; L268-L482 HydrophobicContact CG-CD2 3.75Å; L268-L482 HydrophobicContact CG-CG 4.45Å; I413-L482 HydrophobicContact CD1-CD1 4.26Å; I413-L482 HydrophobicContact CD1-CD2 3.49Å; I413-L482 VanDerWaalsContact CD1-CD2 3.49Å; I413-L482 HydrophobicContact CD1-CG 3.5Å; I413-L482 HydrophobicContact CG1-CD2 4.44Å; I413-L482 HydrophobicContact CG1-CG 4.45Å; L482-Y484 HydrophobicContact CB-CE2 3.99Å; L482-P506 HydrophobicContact CD1-CB 3.79Å; L482-P506 HydrophobicContact CD1-CG 3.21Å; L482-P506 HydrophobicContact CG-CG 4.1Å
483I60.7Low65.9Low55 Ų5571 Ų7128%0.28238%0.375SS..EExtended strand (participates in β ladder)trans-101119.6168.2-61.7170.2000107.3I499I483-I499 HydrophobicContact CG2-CG2 3.74Å
484Y59.3Low63.1Low30 Ų3075.5 Ų75.512%0.11840%0.397CS..EExtended strand (participates in β ladder)trans-95.2125.4172-62.2-87.7000108.8K266 L268 L482 T500K266-Y484 HydrophobicContact CB-CD1 4.09Å; K266-Y484 HydrophobicContact CD-CD1 4.12Å; K266-Y484 HydrophobicContact CD-CG 4.42Å; L268-Y484 HydrophobicContact CD1-CD1 3.79Å; L268-Y484 HydrophobicContact CD1-CE1 3.39Å; L482-Y484 HydrophobicContact CB-CE2 3.99Å; Y484-T500 PolarHBondContact N-O 2.96Å; Y484-T500 PolarHBondContact O-N 3.33Å
485I53Low60.6Low49 Ų4986 Ų8625%0.25143%0.433SS..EExtended strand (participates in β ladder)trans-94.5116167.7-58.9175.3000107.3K266 V267 Y269 T487K266-I485 WeakPolarHBondContact CA-O 3.32Å; V267-I485 PolarHBondContact N-O 3.39Å; V267-I485 PolarHBondContact O-N 2.74Å; Y269-I485 HydrophobicContact CD2-CD1 4.13Å; I485-T487 HydrophobicContact CG2-CG2 4.39Å
486K51.7Low57.8Low61 Ų6187.3 Ų87.327%0.26544%0.44SS..EExtended strand (participates in β ladder)trans-84.2111170.1-178.4168.9163.81480108.6E264E264-K486 HydrophobicContact CG-CD 4.41Å; E264-K486 HydrophobicContact CG-CG 4.15Å; E264-K486 WeakPolarHBondContact OE1-CE 3.31Å; E264-K486 IonicContact OE1-NZ 2.85Å; E264-K486 PolarHBondContact OE1-NZ 3.41Å; E264-K486 WeakPolarHBondContact OE2-CD 3.25Å; E264-K486 WeakPolarHBondContact OE2-CE 3.43Å; E264-K486 IonicContact OE2-NZ 3.28Å; E264-K486 PolarHBondContact OE2-NZ 3.47Å
487T48.5Very low55.4Low55 Ų5588.8 Ų88.834%0.33745%0.454SS..  trans-89.1107.8170.549.20000109.4T265 I485 N489T265-T487 PolarHBondContact O-OG1 3.29Å; T265-T487 VanDerWaalsContact O-OG1 3.11Å; I485-T487 HydrophobicContact CG2-CG2 4.39Å; T487-N489 PolarHBondContact O-N 3.2Å
488N49.5Very low52.9Low99 Ų9990.1 Ų90.153%0.52947%0.467SS..  trans-74.4110.4165.6-85.3-1.7000108.3N490N488-N490 PolarHBondContact O-N 3.31Å
489N48.6Very low50.6Low129 Ų12991.6 Ų91.669%0.6947%0.469SS*.  trans-78.31.9173.2-85.2-6.4000113.5T487 N491T487-N489 PolarHBondContact O-N 3.2Å; N489-N491 PolarHBondContact O-N 3.39Å
490N44.1Very low48.6Very low114 Ų11493.2 Ų93.261%0.6148%0.483SS*.SBendtrans-91.5100.2176.6-65.2-2.7000109.2N488N488-N490 PolarHBondContact O-N 3.31Å
491N41.3Very low46.6Very low118 Ų11897.4 Ų97.463%0.63151%0.509SS*.  trans91.8109.2177-64-23000116.9N489 L493 N494N489-N491 PolarHBondContact O-N 3.39Å; N491-L493 PolarHBondContact O-N 3.4Å; N491-N494 PolarHBondContact O-N 3.15Å
492P43.9Very low44.9Very low117 Ų11793.9 Ų93.976%0.7650%0.502SS*.THydrogen-bonded Turntrans-64.2-12.5178.224.2-31.8000114.5
493L40.5Very low43.4Very low166 Ų16698.4 Ų98.487%0.86953%0.527SS*.THydrogen-bonded Turntrans-87.4-18.1-178.4-75.9159.6000114.5N491N491-L493 PolarHBondContact O-N 3.4Å
494N36.7Very low42Very low116 Ų116100.3 Ų100.362%0.6254%0.541SS*.  trans-12166.1177.5-85.6-10.9000110.8N491 Q496N491-N494 PolarHBondContact O-N 3.15Å; N494-Q496 PolarHBondContact O-N 3.01Å
495R34.5Very low40.5Very low230 Ų230102.7 Ų102.787%0.86856%0.562SS**  trans-70.171.4161.9-71.1-174.7-172.9178.52.4109.7
496Q32.4Very low39.7Very low164 Ų164102.3 Ų102.377%0.76656%0.563SS**  trans-95.3102.1164.1-81.7179.7-17.700108.3N494 S498N494-Q496 PolarHBondContact O-N 3.01Å; Q496-S498 PolarHBondContact O-N 2.73Å
497S37Very low38.9Very low83 Ų83107.9 Ų107.958%0.5859%0.587SS**  trans-69.5119.3168.341.90000109
498S35.9Very low38.1Very low62 Ų62111.3 Ų111.343%0.43460%0.597SS.*EExtended strand (participates in β ladder)trans-92.1129.8167.147.10000109.3Q496Q496-S498 PolarHBondContact O-N 2.73Å
499I35.2Very low37.3Very low124 Ų124111.6 Ų111.664%0.63660%0.596SS**EExtended strand (participates in β ladder)trans-94115-179.8-63.2176.3000107.6I483I483-I499 HydrophobicContact CG2-CG2 3.74Å
500T41.7Very low36.3Very low73 Ų73112.1 Ų112.145%0.44860%0.598SS.*EExtended strand (participates in β ladder)trans-118.4136.3170.448.80000111Y484Y484-T500 PolarHBondContact N-O 2.96Å; Y484-T500 PolarHBondContact O-N 3.33Å
501T38.9Very low35.6Very low93 Ų93111.8 Ų111.857%0.57160%0.595SS**EExtended strand (participates in β ladder)trans-98.5124.1176.354.10000109.7
502G42.7Very low34.8Very low21 Ų21111.7 Ų111.722%0.21660%0.599CS.*  trans-96.6140.6176.300000112
503N35.1Very low34Very low108 Ų108111 Ų11158%0.57859%0.592SS**  trans-88.65.8177.4-87.2-8.8000114.2R481R481-N503 PolarHBondContact NE-OD1 3.25Å; R481-N503 PolarHBondContact NH1-OD1 3.31Å
504T32.6Very low33.3Very low95 Ų95109.4 Ų109.458%0.58359%0.585SS**SBendtrans-90.5137.4-172.9490000112.4P506T504-P506 WeakPolarHBondContact O-CD 3.26Å; T504-P506 WeakPolarHBondContact O-CG 3.31Å
505S27.7Very low32.8Very low80 Ų80111.7 Ų111.756%0.55959%0.592SS**  trans-66.4112.7175.554.20000111.3
506P35.2Very low32.5Very low41 Ų41105.8 Ų105.827%0.26658%0.581SS.*  trans-92.3137178.60.121.4000110.6I413 L482 T504I413-P506 HydrophobicContact CD1-CG 4.48Å; I413-P506 HydrophobicContact CG1-CG 4.16Å; L482-P506 HydrophobicContact CD1-CB 3.79Å; L482-P506 HydrophobicContact CD1-CG 3.21Å; L482-P506 HydrophobicContact CG-CG 4.1Å; T504-P506 WeakPolarHBondContact O-CD 3.26Å; T504-P506 WeakPolarHBondContact O-CG 3.31Å
507K35.3Very low32.4Very low178 Ų178106.6 Ų106.677%0.77459%0.585SS**  trans-101.7121.9178.4-70.8-179.8178.2177.90110.4
508F31Very low32.1Very low126 Ų126109.9 Ų109.955%0.55360%0.596SS**  trans14.9117.1170.7-71.3-84.8000120.6
509Q33.1Very low31.8Very low106 Ų106119.7 Ų119.750%0.49564%0.635SS.*  trans-88.7146.1163.3-86173.5-40.500112.3
510N26.9Very low31.6Very low139 Ų139119.5 Ų119.574%0.74364%0.635SS**  trans-78.8121.3146.7-87.5-20.9000108.1V512N510-V512 PolarHBondContact O-N 2.8Å
511I30.1Very low31.1Very low108 Ų108121.9 Ų121.955%0.55464%0.644SS**  trans-78.9106.8171-62.2170.2000106.3T513I511-T513 HydrophobicContact CG2-CG2 3.84Å; I511-T513 PolarHBondContact O-N 2.88Å
512V25.2Very low30.7Very low116 Ų116123.5 Ų123.570%0.70365%0.648SS**  trans-75.3102.3153.2179.80000104.8N510 N514N510-V512 PolarHBondContact O-N 2.8Å; V512-N514 VanDerWaalsContact C-N 3.33Å; V512-N514 PolarHBondContact O-N 3.48Å
513T26.3Very low30Very low101 Ų101129.5 Ų129.562%0.6267%0.674SS**  trans-65.2102.5160.342.20000105.7I511 E515I511-T513 HydrophobicContact CG2-CG2 3.84Å; I511-T513 PolarHBondContact O-N 2.88Å; T513-E515 PolarHBondContact O-N 3.17Å
514N25.6Very low29.7Very low133 Ų133130.9 Ų130.971%0.71168%0.68SS**  trans-67.578.3158.5-84.6-2.4000106.9V512 T516V512-N514 VanDerWaalsContact C-N 3.33Å; V512-N514 PolarHBondContact O-N 3.48Å; N514-T516 PolarHBondContact O-N 3.33Å; N514-T516 VanDerWaalsContact O-N 3.09Å
515E25.6Very low29.5Very low164 Ų164133.3 Ų133.377%0.76669%0.686SS**  trans-73.473.2146.6-77.2179.7172.300106.1T513 E517T513-E515 PolarHBondContact O-N 3.17Å; E515-E517 PolarHBondContact O-N 3.28Å
516T29.7Very low29.6Very low106 Ų106137.1 Ų137.165%0.6570%0.695SS**  trans-84.886.9148.146.70000104.8N514 N518N514-T516 PolarHBondContact O-N 3.33Å; N514-T516 VanDerWaalsContact O-N 3.09Å; T516-N518 PolarHBondContact O-N 2.97Å; T516-N518 VanDerWaalsContact O-N 3.12Å
517E30.2Very low29.1Very low181 Ų181144.5 Ų144.585%0.84673%0.728SS**  trans-52114.3157.2-76-177.9148.900106.7E515E515-E517 PolarHBondContact O-N 3.28Å
518N30.2Very low28.6Very low153 Ų153141.7 Ų141.782%0.81873%0.725SS**  trans-60.4133.4164.8-79-33.9000107.8T516T516-N518 PolarHBondContact O-N 2.97Å; T516-N518 VanDerWaalsContact O-N 3.12Å
519H29.8Very low28.4Very low267 Ų267143.1 Ų143.1100%1.23674%0.74SS**  trans-20.30172.5-74.2-67.1000118

Retrieved 519 of 519 residues in 768.1 ms (Link to these results)

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