A0A3Q0KG54_SCHMA Loading...

Pescadillo homolog

Required for maturation of ribosomal RNAs and formation of the large ribosomal subunit.

AlphaFold DB , UniProt , Accession A0A3Q0KG54, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 598 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
1M46.8Very low74.6Confident249 Ų249140 Ų140100%1.22775%0.752SS**  080.10-73.3-83.8-153.700109.5G3M1-G3 PolarHBondContact O-N 3.42Å
2G59.8Low75.4Confident81 Ų81132.9 Ų132.984%0.83574%0.737SS**  trans-76.8112.5177.200000110.5T4G2-T4 PolarHBondContact O-N 3.2Å
3G72Confident76.1Confident76 Ų76127.3 Ų127.378%0.78470%0.702SS**PPolyproline II helixtrans-65.3131.117700000111.2M1M1-G3 PolarHBondContact O-N 3.42Å
4T79Confident76.9Confident131 Ų131119.9 Ų119.980%0.80466%0.662SS**PPolyproline II helixtrans-53.2137.9175.744.50000111.4G2 K6G2-T4 PolarHBondContact O-N 3.2Å; T4-K6 PolarHBondContact O-N 3.39Å
5M78.9Confident77.6Confident189 Ų189117.5 Ų117.593%0.93165%0.651SS**PPolyproline II helixtrans-53.4116.3176.9-88.9178.565.300110.2K7M5-K7 PolarHBondContact O-N 3.22Å
6K79.2Confident78.5Confident151 Ų151113.1 Ų113.166%0.65764%0.635SS**PPolyproline II helixtrans-71.6131179.7-66.3170.4-1771590109.4T4 K8 K11T4-K6 PolarHBondContact O-N 3.39Å; K6-K8 PolarHBondContact O-N 3.41Å; K6-K11 HydrophobicContact CD-CD 4.09Å
7K82.6Confident79.4Confident176 Ų176108.3 Ų108.377%0.76561%0.606SS**PPolyproline II helixtrans-54.7134.6175-70.1-177.8179.1-178.10110.3M5 T10M5-K7 PolarHBondContact O-N 3.22Å; K7-T10 HydrophobicContact CB-CG2 3.64Å; K7-T10 WeakPolarHBondContact O-CB 3.33Å; K7-T10 WeakPolarHBondContact O-CG2 3.33Å; K7-T10 PolarHBondContact O-N 3.48Å; K7-T10 PolarHBondContact O-OG1 3.31Å
8K78.4Confident80.1Confident188 Ų188102.8 Ų102.882%0.81758%0.575SS**THydrogen-bonded Turntrans-54.6146.6174.1-67.4-178.2179.81770109.8K6 T10K6-K8 PolarHBondContact O-N 3.41Å; K8-T10 VanDerWaalsContact C-N 3.28Å; K8-T10 PolarHBondContact O-N 3.24Å
9H81.8Confident80.7Confident89 Ų8997.8 Ų97.841%0.41255%0.548SS..THydrogen-bonded Turntrans68.78.4-180-48.2-69.3000117.2V14H9-V14 HydrophobicContact CB-CG1 4.05Å
10T81.4Confident81.3Confident73 Ų7394.6 Ų94.645%0.44853%0.528SS..SBendtrans-91.7-12.1178.759.30000114.7K7 K8 V15K7-T10 HydrophobicContact CB-CG2 3.64Å; K7-T10 WeakPolarHBondContact O-CB 3.33Å; K7-T10 WeakPolarHBondContact O-CG2 3.33Å; K7-T10 PolarHBondContact O-N 3.48Å; K7-T10 PolarHBondContact O-OG1 3.31Å; K8-T10 VanDerWaalsContact C-N 3.28Å; K8-T10 PolarHBondContact O-N 3.24Å; T10-V15 WeakPolarHBondContact O-CG2 3.34Å
11K81.3Confident81.9Confident137 Ų13798 Ų9860%0.59654%0.538SS*.SBendtrans-138.6162.3179.7-63.4-162.7-179.3-161.20111.5K6K6-K11 HydrophobicContact CD-CD 4.09Å
12G83.8Confident84.1Confident55 Ų5589.2 Ų89.257%0.56749%0.493SS*.THydrogen-bonded Turntrans84.1-151.817700000113V14 V15 A16G12-V14 PolarHBondContact O-N 3.47Å; G12-V15 PolarHBondContact O-N 3.37Å; G12-A16 PolarHBondContact O-N 3.29Å
13Q83.9Confident85.8Confident60 Ų6085.3 Ų85.328%0.2845%0.454SS..Hα-helixtrans-55.6-29.3-174.5-69.2-179.4-14.700113.3V15 A16 F17 V54Q13-V15 PolarHBondContact O-N 3.41Å; Q13-A16 PolarHBondContact O-N 3.14Å; Q13-F17 HydrophobicContact CB-CD2 4.41Å; Q13-F17 HydrophobicContact CB-CE2 4.45Å; Q13-F17 VanDerWaalsContact O-CD2 3.26Å; Q13-F17 WeakPolarHBondContact O-CD2 3.46Å; Q13-F17 PolarHBondContact O-N 3.35Å; Q13-V54 HydrophobicContact CB-CG2 3.97Å
14V87.3Confident86.8Confident24 Ų2483.6 Ų83.615%0.14543%0.425CS..Hα-helixtrans-63.8-30.1179.9-164.50000112.9H9 G12 K53 K56H9-V14 HydrophobicContact CB-CG1 4.05Å; G12-V14 PolarHBondContact O-N 3.47Å; V14-K53 WeakPolarHBondContact CG2-O 3.4Å; V14-K56 HydrophobicContact CG1-CG 4.41Å
15V88.6Confident87.6Confident83 Ų8385.9 Ų85.950%0.50342%0.419SS..Hα-helixtrans-85.2-31.5177.1-179.50000111.3T10 G12 Q13 F17 A67T10-V15 WeakPolarHBondContact O-CG2 3.34Å; G12-V15 PolarHBondContact O-N 3.37Å; Q13-V15 PolarHBondContact O-N 3.41Å; V15-F17 VanDerWaalsContact C-N 3.29Å; V15-F17 PolarHBondContact O-N 3.11Å; V15-A67 VanDerWaalsContact O-CB 3.27Å; V15-A67 WeakPolarHBondContact O-CB 3.24Å
16A91.4Very high88.3Confident48 Ų4884.7 Ų84.740%0.39741%0.405SS..Hα-helixtrans-67.7-30.1-178.400000112.6G12 Q13 N66 A67G12-A16 PolarHBondContact O-N 3.29Å; Q13-A16 PolarHBondContact O-N 3.14Å; A16-N66 WeakPolarHBondContact O-CA 3.43Å; A16-A67 WeakPolarHBondContact O-CB 3.41Å; A16-A67 PolarHBondContact O-N 3.34Å
17F93.1Very high88.9Confident31 Ų3177.9 Ų77.914%0.13638%0.375CS..EExtended strand (participates in β ladder)trans-114.9143.3-176.5-62.4-73.8000112.2Q13 V15 V46 P48 V54 Y64 Y65 N66Q13-F17 HydrophobicContact CB-CD2 4.41Å; Q13-F17 HydrophobicContact CB-CE2 4.45Å; Q13-F17 VanDerWaalsContact O-CD2 3.26Å; Q13-F17 WeakPolarHBondContact O-CD2 3.46Å; Q13-F17 PolarHBondContact O-N 3.35Å; V15-F17 VanDerWaalsContact C-N 3.29Å; V15-F17 PolarHBondContact O-N 3.11Å; F17-V46 HydrophobicContact CE1-CB 4.15Å; F17-V46 HydrophobicContact CE1-CG1 3.76Å; F17-V46 HydrophobicContact CZ-CG1 4.43Å; F17-P48 HydrophobicContact CD2-CB 3.8Å; F17-P48 HydrophobicContact CE2-CB 3.82Å; F17-P48 HydrophobicContact CG-CB 4.24Å; F17-P48 HydrophobicContact CZ-CB 4.24Å; F17-V54 HydrophobicContact CB-CG1 3.66Å; F17-V54 HydrophobicContact CB-CG2 4.47Å; F17-V54 HydrophobicContact CD2-CG2 3.89Å; F17-V54 HydrophobicContact CG-CG1 4.49Å; F17-Y64 HydrophobicContact CB-CD1 4.42Å; F17-Y65 CarbonylContact C-O 3.57Å; F17-Y65 WeakPolarHBondContact CA-O 3.36Å; F17-N66 VanDerWaalsContact CE1-OD1 3.24Å; F17-N66 WeakPolarHBondContact CE1-OD1 3.48Å
18L92.3Very high89.4Confident9 Ų976.3 Ų76.35%0.04737%0.371CS..EExtended strand (participates in β ladder)trans-123.2133.3175.9-162.969.2000108.8Q22 A23 R26 Y64 Y65 I70L18-Q22 HydrophobicContact CD1-CB 3.53Å; L18-Q22 HydrophobicContact CD1-CG 4.37Å; L18-Q22 HydrophobicContact CD2-CB 4.3Å; L18-Q22 HydrophobicContact CG-CB 3.63Å; L18-A23 VanDerWaalsContact CD2-CA 3.44Å; L18-A23 HydrophobicContact CD2-CB 3.83Å; L18-A23 HydrophobicContact CG-CB 4.4Å; L18-R26 HydrophobicContact CD2-CG 4.4Å; L18-Y64 WeakPolarHBondContact O-CA 3.45Å; L18-Y65 PolarHBondContact N-O 2.84Å; L18-Y65 PolarHBondContact O-N 3.33Å; L18-I70 HydrophobicContact CD2-CB 4.37Å; L18-I70 HydrophobicContact CD2-CG1 4.39Å; L18-I70 HydrophobicContact CD2-CG2 4.01Å
19S92.5Very high89.9Confident9 Ų968 Ų686%0.06334%0.335CS..EExtended strand (participates in β ladder)trans-69153173.460.60000111.2K21 Q22 A23S19-K21 VanDerWaalsContact C-N 3.31Å; S19-K21 PolarHBondContact O-N 2.94Å; S19-Q22 VanDerWaalsContact N-OE1 3.15Å; S19-Q22 CarbonylContact O-C 3.59Å; S19-Q22 WeakPolarHBondContact O-CA 3.47Å; S19-Q22 WeakPolarHBondContact O-CB 3.32Å; S19-Q22 PolarHBondContact O-N 3.31Å; S19-Q22 WeakPolarHBondContact OG-CB 3.31Å; S19-Q22 WeakPolarHBondContact OG-CG 3.28Å; S19-Q22 PolarHBondContact OG-N 3.03Å; S19-Q22 PolarHBondContact OG-OE1 2.92Å; S19-A23 PolarHBondContact O-N 3.44Å
20Q93.1Very high90.4Very high33 Ų3368 Ų6815%0.15434%0.338CS..Hα-helixtrans-51.3-46.2177.9-175.4177.241.200113.1Q22 A23 M24 F34 I63 Y65Q20-Q22 VanDerWaalsContact C-N 3.26Å; Q20-Q22 PolarHBondContact O-N 2.91Å; Q20-A23 PolarHBondContact O-N 3.16Å; Q20-M24 HydrophobicContact CG-SD 4.09Å; Q20-M24 WeakPolarHBondContact O-CG 3.4Å; Q20-M24 PolarHBondContact O-N 2.75Å; Q20-F34 HydrophobicContact CG-CD1 4.32Å; Q20-F34 HydrophobicContact CG-CE1 3.88Å; Q20-I63 HydrophobicContact CB-CB 4.35Å; Q20-I63 PolarHBondContact N-O 3.27Å; Q20-Y65 HydrophobicContact CB-CE2 4.09Å; Q20-Y65 HydrophobicContact CG-CE2 4.2Å
21K93Very high90.8Very high166 Ų16667.6 Ų67.672%0.72233%0.333SS*.Hα-helixtrans-61.1-33176.9-69.7-172.4178.4-175.50112.7S19 R25S19-K21 VanDerWaalsContact C-N 3.31Å; S19-K21 PolarHBondContact O-N 2.94Å; K21-R25 WeakPolarHBondContact O-CG 3.36Å; K21-R25 PolarHBondContact O-N 3.39Å; K21-R25 PolarHBondContact O-NE 3.35Å
22Q93.3Very high91.1Very high64 Ų6464.5 Ų64.530%0.29933%0.327SS..Hα-helixtrans-77.8-38.3176.1-72.3165.3-20.200111.5L18 S19 Q20 R25 R26L18-Q22 HydrophobicContact CD1-CB 3.53Å; L18-Q22 HydrophobicContact CD1-CG 4.37Å; L18-Q22 HydrophobicContact CD2-CB 4.3Å; L18-Q22 HydrophobicContact CG-CB 3.63Å; S19-Q22 VanDerWaalsContact N-OE1 3.15Å; S19-Q22 CarbonylContact O-C 3.59Å; S19-Q22 WeakPolarHBondContact O-CA 3.47Å; S19-Q22 WeakPolarHBondContact O-CB 3.32Å; S19-Q22 PolarHBondContact O-N 3.31Å; S19-Q22 WeakPolarHBondContact OG-CB 3.31Å; S19-Q22 WeakPolarHBondContact OG-CG 3.28Å; S19-Q22 PolarHBondContact OG-N 3.03Å; S19-Q22 PolarHBondContact OG-OE1 2.92Å; Q20-Q22 VanDerWaalsContact C-N 3.26Å; Q20-Q22 PolarHBondContact O-N 2.91Å; Q22-R25 PolarHBondContact O-N 3.4Å; Q22-R26 WeakPolarHBondContact O-CG 3.26Å; Q22-R26 PolarHBondContact O-N 2.89Å
23A94.6Very high91.5Very high0 Ų063.2 Ų63.20%031%0.307CS..Hα-helixtrans-61.3-46.4175.500000111.8L18 S19 Q20 R25 R26 L27 F34 I70L18-A23 VanDerWaalsContact CD2-CA 3.44Å; L18-A23 HydrophobicContact CD2-CB 3.83Å; L18-A23 HydrophobicContact CG-CB 4.4Å; S19-A23 PolarHBondContact O-N 3.44Å; Q20-A23 PolarHBondContact O-N 3.16Å; A23-R25 VanDerWaalsContact C-N 3.34Å; A23-R25 PolarHBondContact O-N 3.08Å; A23-R26 PolarHBondContact O-N 2.64Å; A23-L27 PolarHBondContact O-N 3.3Å; A23-F34 HydrophobicContact CB-CE2 3.75Å; A23-F34 HydrophobicContact CB-CZ 3.77Å; A23-I70 HydrophobicContact CB-CD1 3.91Å; A23-I70 HydrophobicContact CB-CG1 3.94Å; A23-I70 HydrophobicContact CB-CG2 4.12Å
24M94.3Very high91.9Very high39 Ų3960.4 Ų60.419%0.19229%0.294CS..Hα-helixtrans-59.2-43175.3-71171.455.600112.5Q20 L27 Q28 L29 L31 F34Q20-M24 HydrophobicContact CG-SD 4.09Å; Q20-M24 WeakPolarHBondContact O-CG 3.4Å; Q20-M24 PolarHBondContact O-N 2.75Å; M24-L27 PolarHBondContact O-N 3.15Å; M24-Q28 WeakPolarHBondContact O-CA 3.42Å; M24-Q28 PolarHBondContact O-N 3.39Å; M24-L29 PolarHBondContact O-N 2.9Å; M24-L31 HydrophobicContact CE-CB 3.77Å; M24-L31 HydrophobicContact CE-CD1 4.35Å; M24-L31 HydrophobicContact SD-CB 4.26Å; M24-L31 HydrophobicContact SD-CD1 3.69Å; M24-F34 HydrophobicContact CG-CB 3.94Å; M24-F34 HydrophobicContact CG-CD1 3.9Å; M24-F34 HydrophobicContact CG-CD2 4.05Å; M24-F34 HydrophobicContact CG-CE1 4.48Å; M24-F34 HydrophobicContact CG-CG 3.66Å
25R94.6Very high92.2Very high179 Ų17963.5 Ų63.568%0.67530%0.303SS*.Hα-helixtrans-64.3-40.9177.2-80.4-173.3-74.6169.1-9.3112.4K21 Q22 A23 Q28K21-R25 WeakPolarHBondContact O-CG 3.36Å; K21-R25 PolarHBondContact O-N 3.39Å; K21-R25 PolarHBondContact O-NE 3.35Å; Q22-R25 PolarHBondContact O-N 3.4Å; A23-R25 VanDerWaalsContact C-N 3.34Å; A23-R25 PolarHBondContact O-N 3.08Å; R25-Q28 PolarHBondContact O-N 3.13Å
26R93.1Very high92.3Very high165 Ų16559.8 Ų59.862%0.62328%0.28SS*.Hα-helixtrans-64.6-41.8177.1-74.4-166.3-177.4175.1-0.4112.6L18 Q22 A23 Q28L18-R26 HydrophobicContact CD2-CG 4.4Å; Q22-R26 WeakPolarHBondContact O-CG 3.26Å; Q22-R26 PolarHBondContact O-N 2.89Å; A23-R26 PolarHBondContact O-N 2.64Å; R26-Q28 VanDerWaalsContact C-N 3.35Å
27L93.1Very high92.4Very high8 Ų857.5 Ų57.54%0.04226%0.261CS..Hα-helixtrans-82.6-11.6-179.8-64.3174.8000113.6A23 M24 L29 F34 L37 I70 L73 I79A23-L27 PolarHBondContact O-N 3.3Å; M24-L27 PolarHBondContact O-N 3.15Å; L27-L29 VanDerWaalsContact C-N 3.27Å; L27-L29 HydrophobicContact CB-CB 4.47Å; L27-L29 HydrophobicContact CB-CD1 4.05Å; L27-L29 HydrophobicContact CB-CG 4.09Å; L27-L29 HydrophobicContact CD1-CD1 4.45Å; L27-L29 PolarHBondContact O-N 3.34Å; L27-F34 HydrophobicContact CD1-CD2 3.95Å; L27-F34 HydrophobicContact CD1-CE2 3.93Å; L27-L37 HydrophobicContact CD1-CD2 4.48Å; L27-I70 HydrophobicContact CD1-CG2 4.21Å; L27-I70 HydrophobicContact CD2-CG2 4.49Å; L27-I70 HydrophobicContact CG-CG2 4.17Å; L27-L73 HydrophobicContact CD1-CB 4.09Å; L27-L73 HydrophobicContact CD1-CD1 3.99Å; L27-L73 HydrophobicContact CD2-CB 4.15Å; L27-I79 HydrophobicContact CD2-CD1 4.06Å
28Q92.3Very high92.4Very high142 Ų14256.2 Ų56.266%0.66426%0.256SS*.THydrogen-bonded Turntrans56.240.4-174.7-55.5174.9-15.300112.6M24 R25 R26M24-Q28 WeakPolarHBondContact O-CA 3.42Å; M24-Q28 PolarHBondContact O-N 3.39Å; R25-Q28 PolarHBondContact O-N 3.13Å; R26-Q28 VanDerWaalsContact C-N 3.35Å
29L90.2Very high92.4Very high13 Ų1357.9 Ų57.97%0.06826%0.264CS..  trans-114.1146.7-179.1-68.5176.5000111.7M24 L27 N33 F34 L37 I79M24-L29 PolarHBondContact O-N 2.9Å; L27-L29 VanDerWaalsContact C-N 3.27Å; L27-L29 HydrophobicContact CB-CB 4.47Å; L27-L29 HydrophobicContact CB-CD1 4.05Å; L27-L29 HydrophobicContact CB-CG 4.09Å; L27-L29 HydrophobicContact CD1-CD1 4.45Å; L27-L29 PolarHBondContact O-N 3.34Å; L29-N33 HydrophobicContact CD2-CB 4.33Å; L29-F34 HydrophobicContact CB-CB 4.38Å; L29-L37 HydrophobicContact CD1-CD2 3.82Å; L29-I79 HydrophobicContact CD1-CD1 4.44Å; L29-I79 HydrophobicContact CD1-CG1 4.28Å; L29-I79 HydrophobicContact CD2-CG2 4.31Å
30N90.3Very high92.4Very high91 Ų9157.4 Ų57.449%0.48726%0.261SS..  trans-71.8158.8169.9-671.1000110.5N33 F34N30-N33 PolarHBondContact O-N 3.4Å; N30-F34 WeakPolarHBondContact O-CB 3.47Å; N30-F34 PolarHBondContact O-N 2.94Å
31L90.4Very high92.4Very high64 Ų6456.9 Ų56.934%0.33526%0.258SS..Hα-helixtrans-53.7-45.5-176.8-178.765.2000114M24 F34 R35M24-L31 HydrophobicContact CE-CB 3.77Å; M24-L31 HydrophobicContact CE-CD1 4.35Å; M24-L31 HydrophobicContact SD-CB 4.26Å; M24-L31 HydrophobicContact SD-CD1 3.69Å; L31-F34 PolarHBondContact O-N 3.27Å; L31-R35 HydrophobicContact CD1-CG 4.24Å; L31-R35 WeakPolarHBondContact O-CG 3.38Å; L31-R35 PolarHBondContact O-N 3.34Å
32P89Confident92.3Very high72 Ų7250 Ų5047%0.46824%0.235SC..Hα-helixtrans-63.6-44.7179-22.935.2000112.7F34 R35 R36P32-F34 VanDerWaalsContact C-N 3.32Å; P32-F34 PolarHBondContact O-N 2.85Å; P32-R35 PolarHBondContact O-N 2.9Å; P32-R36 VanDerWaalsContact O-CB 3.26Å; P32-R36 WeakPolarHBondContact O-CB 3.48Å; P32-R36 PolarHBondContact O-N 3.15Å
33N91.2Very high92.3Very high28 Ų2847.9 Ų47.915%0.1523%0.225CC..Hα-helixtrans-67.9-34.7178.8-68.3-3.9000111.9L29 N30 L37 F82L29-N33 HydrophobicContact CD2-CB 4.33Å; N30-N33 PolarHBondContact O-N 3.4Å; N33-L37 WeakPolarHBondContact O-CB 3.27Å; N33-L37 PolarHBondContact O-N 3.4Å; N33-F82 HydrophobicContact CB-CD2 4.26Å
34F93.2Very high92.2Very high0 Ų052.9 Ų52.90%025%0.245CC..Hα-helixtrans-64.3-51.9174.1175.2-99.2000110.9Q20 A23 M24 L27 L29 N30 L31 P32 R36 L37 C38 Y65 I70Q20-F34 HydrophobicContact CG-CD1 4.32Å; Q20-F34 HydrophobicContact CG-CE1 3.88Å; A23-F34 HydrophobicContact CB-CE2 3.75Å; A23-F34 HydrophobicContact CB-CZ 3.77Å; M24-F34 HydrophobicContact CG-CB 3.94Å; M24-F34 HydrophobicContact CG-CD1 3.9Å; M24-F34 HydrophobicContact CG-CD2 4.05Å; M24-F34 HydrophobicContact CG-CE1 4.48Å; M24-F34 HydrophobicContact CG-CG 3.66Å; L27-F34 HydrophobicContact CD1-CD2 3.95Å; L27-F34 HydrophobicContact CD1-CE2 3.93Å; L29-F34 HydrophobicContact CB-CB 4.38Å; N30-F34 WeakPolarHBondContact O-CB 3.47Å; N30-F34 PolarHBondContact O-N 2.94Å; L31-F34 PolarHBondContact O-N 3.27Å; P32-F34 VanDerWaalsContact C-N 3.32Å; P32-F34 PolarHBondContact O-N 2.85Å; F34-R36 VanDerWaalsContact C-N 3.29Å; F34-R36 PolarHBondContact O-N 3.4Å; F34-L37 PolarHBondContact O-N 3.03Å; F34-C38 VanDerWaalsContact CZ-SG 3.53Å; F34-C38 PolarHBondContact O-N 2.83Å; F34-C38 PolarHBondContact O-SG 3.09Å; F34-Y65 HydrophobicContact CE1-CD2 4.48Å; F34-Y65 AromaticContact CE1-CE2 3.77Å; F34-Y65 HydrophobicContact CE1-CE2 3.77Å; F34-Y65 AromaticContact CE1-CZ 3.9Å; F34-Y65 HydrophobicContact CZ-CD2 4.13Å; F34-Y65 AromaticContact CZ-CE2 3.86Å; F34-Y65 HydrophobicContact CZ-CE2 3.86Å; F34-I70 HydrophobicContact CE2-CD1 4.06Å; F34-I70 HydrophobicContact CZ-CD1 4.17Å
35R91.9Very high92.2Very high89 Ų8954.9 Ų54.934%0.33626%0.26SS..Hα-helixtrans-57.4-44.8176-73.1-177-179.3-176.5-1.2111.1L31 P32 L37 C38 I39L31-R35 HydrophobicContact CD1-CG 4.24Å; L31-R35 WeakPolarHBondContact O-CG 3.38Å; L31-R35 PolarHBondContact O-N 3.34Å; P32-R35 PolarHBondContact O-N 2.9Å; R35-L37 PolarHBondContact O-N 3.37Å; R35-C38 PolarHBondContact O-N 3.27Å; R35-I39 WeakPolarHBondContact O-CD1 3.28Å; R35-I39 VanDerWaalsContact O-CG1 3.26Å; R35-I39 WeakPolarHBondContact O-CG1 3.46Å; R35-I39 PolarHBondContact O-N 3.47Å
36R91.9Very high92.1Very high5 Ų548.8 Ų48.82%0.01924%0.243CC..Hα-helixtrans-57.2-49.6176.7-179.2172.8-159.5150.77.7112.1P32 F34 C38 I39 L40 F82 Y114 T222 E225 V468 E472P32-R36 VanDerWaalsContact O-CB 3.26Å; P32-R36 WeakPolarHBondContact O-CB 3.48Å; P32-R36 PolarHBondContact O-N 3.15Å; F34-R36 VanDerWaalsContact C-N 3.29Å; F34-R36 PolarHBondContact O-N 3.4Å; R36-C38 VanDerWaalsContact C-N 3.34Å; R36-C38 PolarHBondContact O-N 3.41Å; R36-I39 PolarHBondContact O-N 2.84Å; R36-L40 HydrophobicContact CG-CD1 3.9Å; R36-L40 HydrophobicContact CG-CG 4.32Å; R36-L40 WeakPolarHBondContact O-CB 3.46Å; R36-L40 VanDerWaalsContact O-CG 3.23Å; R36-L40 WeakPolarHBondContact O-CG 3.32Å; R36-L40 PolarHBondContact O-N 3.48Å; R36-F82 HydrophobicContact CG-CZ 4.1Å; R36-Y114 PolarHBondContact NE-OH 2.82Å; R36-Y114 PolarHBondContact NH2-OH 2.98Å; R36-T222 HydrophobicContact CB-CG2 4.22Å; R36-T222 HydrophobicContact CG-CG2 3.67Å; R36-E225 IonicContact CZ-OE2 2.85Å; R36-E225 IonicContact NE-OE2 3.65Å; R36-E225 IonicContact NH2-OE1 2.67Å; R36-E225 PolarHBondContact NH2-OE1 2.81Å; R36-E225 IonicContact NH2-OE2 3.41Å; R36-E225 PolarHBondContact NH2-OE2 2.7Å; R36-V468 VanDerWaalsContact NH1-CB 3.32Å; R36-V468 VanDerWaalsContact NH2-CG2 3.32Å; R36-E472 IonicContact CZ-OE1 2.78Å; R36-E472 IonicContact NH1-OE1 3.08Å; R36-E472 PolarHBondContact NH1-OE1 3.2Å
37L92.8Very high91.9Very high0 Ų047.9 Ų47.90%025%0.246CC..Hα-helixtrans-61.4-42.8178.5-171.465.2000111.9L27 L29 N33 F34 R35 L40 K41 L73 E76 L78 I79 F82L27-L37 HydrophobicContact CD1-CD2 4.48Å; L29-L37 HydrophobicContact CD1-CD2 3.82Å; N33-L37 WeakPolarHBondContact O-CB 3.27Å; N33-L37 PolarHBondContact O-N 3.4Å; F34-L37 PolarHBondContact O-N 3.03Å; R35-L37 PolarHBondContact O-N 3.37Å; L37-L40 PolarHBondContact O-N 2.93Å; L37-K41 PolarHBondContact O-N 3.35Å; L37-L73 HydrophobicContact CD1-CD2 4.45Å; L37-L73 HydrophobicContact CD2-CB 4.27Å; L37-L73 HydrophobicContact CD2-CD1 4.21Å; L37-L73 HydrophobicContact CD2-CD2 3.97Å; L37-L73 HydrophobicContact CD2-CG 4.39Å; L37-L73 HydrophobicContact CG-CD1 4.46Å; L37-L73 HydrophobicContact CG-CD2 3.81Å; L37-E76 HydrophobicContact CD1-CG 3.99Å; L37-L78 HydrophobicContact CD1-CB 4.1Å; L37-L78 HydrophobicContact CD1-CD1 4.28Å; L37-I79 HydrophobicContact CD2-CD1 3.89Å; L37-I79 HydrophobicContact CD2-CG1 3.74Å; L37-F82 HydrophobicContact CB-CE2 4.24Å; L37-F82 HydrophobicContact CD1-CE2 4.23Å
38C93.7Very high91.7Very high5 Ų547.9 Ų47.93%0.03425%0.247CC..Hα-helixtrans-61-44.6176.4-66.20000111.9F34 R35 R36 K41 G42 I43F34-C38 VanDerWaalsContact CZ-SG 3.53Å; F34-C38 PolarHBondContact O-N 2.83Å; F34-C38 PolarHBondContact O-SG 3.09Å; R35-C38 PolarHBondContact O-N 3.27Å; R36-C38 VanDerWaalsContact C-N 3.34Å; R36-C38 PolarHBondContact O-N 3.41Å; C38-K41 PolarHBondContact O-N 3.49Å; C38-G42 PolarHBondContact O-N 3.3Å; C38-I43 HydrophobicContact CB-CB 4.49Å; C38-I43 PolarHBondContact O-N 3.36Å
39I92.4Very high91.5Very high43 Ų4352.6 Ų52.622%0.22126%0.258CS..Hα-helixtrans-64.2-42.2176.9-66.1160.6000111R35 R36 R123 I219 T222 C223R35-I39 WeakPolarHBondContact O-CD1 3.28Å; R35-I39 VanDerWaalsContact O-CG1 3.26Å; R35-I39 WeakPolarHBondContact O-CG1 3.46Å; R35-I39 PolarHBondContact O-N 3.47Å; R36-I39 PolarHBondContact O-N 2.84Å; I39-R123 PolarHBondContact O-NH2 2.89Å; I39-I219 HydrophobicContact CD1-CG2 3.81Å; I39-T222 HydrophobicContact CB-CG2 4.04Å; I39-T222 HydrophobicContact CD1-CG2 4.17Å; I39-T222 HydrophobicContact CG2-CG2 3.87Å; I39-C223 HydrophobicContact CG2-CB 4.43Å; I39-C223 VanDerWaalsContact CG2-SG 3.56Å
40L92.5Very high91.3Very high0 Ų053.7 Ų53.70%027%0.267CS..Hα-helixtrans-71.2-27.7-179.7-69.1177.9000112.8R36 L37 L78 F82 L116 I119 R123 T222 F226R36-L40 HydrophobicContact CG-CD1 3.9Å; R36-L40 HydrophobicContact CG-CG 4.32Å; R36-L40 WeakPolarHBondContact O-CB 3.46Å; R36-L40 VanDerWaalsContact O-CG 3.23Å; R36-L40 WeakPolarHBondContact O-CG 3.32Å; R36-L40 PolarHBondContact O-N 3.48Å; L37-L40 PolarHBondContact O-N 2.93Å; L40-L78 HydrophobicContact CD1-CD1 3.72Å; L40-F82 HydrophobicContact CD1-CZ 4.39Å; L40-L116 HydrophobicContact CD1-CD2 3.86Å; L40-L116 HydrophobicContact CD2-CD1 3.7Å; L40-L116 HydrophobicContact CD2-CD2 3.88Å; L40-L116 HydrophobicContact CD2-CG 4.47Å; L40-L116 HydrophobicContact CG-CD2 4.38Å; L40-I119 WeakPolarHBondContact O-CG2 3.5Å; L40-R123 PolarHBondContact O-NE 3.16Å; L40-R123 PolarHBondContact O-NH2 2.99Å; L40-T222 HydrophobicContact CD2-CG2 4.28Å; L40-T222 HydrophobicContact CG-CG2 4.27Å; L40-F226 HydrophobicContact CD2-CB 3.96Å
41K92.2Very high91.1Very high21 Ų2154.7 Ų54.79%0.09126%0.264CS..Hα-helixtrans-96-19.3174.9-80-74.6-179.4166.70115.7L37 C38 I43 F72 L73 E76 I119 E122 R123L37-K41 PolarHBondContact O-N 3.35Å; C38-K41 PolarHBondContact O-N 3.49Å; K41-I43 HydrophobicContact CB-CD1 4.16Å; K41-I43 HydrophobicContact CB-CG1 4.39Å; K41-F72 HydrophobicContact CD-CE1 4.37Å; K41-L73 HydrophobicContact CB-CD2 3.83Å; K41-L73 HydrophobicContact CG-CD2 3.74Å; K41-E76 WeakPolarHBondContact CE-OE1 3.24Å; K41-E76 WeakPolarHBondContact CE-OE2 3.44Å; K41-E76 IonicContact NZ-OE1 3.38Å; K41-E76 PolarHBondContact NZ-OE1 3.39Å; K41-E76 IonicContact NZ-OE2 2.99Å; K41-E76 PolarHBondContact NZ-OE2 2.96Å; K41-I119 HydrophobicContact CD-CG2 4.3Å; K41-E122 IonicContact NZ-OE2 3.69Å; K41-E122 PolarHBondContact NZ-OE2 3.18Å; K41-R123 VanDerWaalsContact C-NE 3.34Å; K41-R123 PolarHBondContact O-NE 3.18Å; K41-R123 VanDerWaalsContact O-NE 3.15Å
42G92.2Very high90.9Very high22 Ų2258.1 Ų58.123%0.22728%0.276CS..THydrogen-bonded Turntrans90.835.9174.500000110.5C38 Y44 R123C38-G42 PolarHBondContact O-N 3.3Å; G42-Y44 WeakPolarHBondContact O-CD2 3.36Å; G42-Y44 VanDerWaalsContact O-CE2 3.27Å; G42-Y44 WeakPolarHBondContact O-CE2 3.15Å; G42-R123 VanDerWaalsContact CA-CZ 3.43Å; G42-R123 VanDerWaalsContact CA-NH2 3.28Å; G42-R123 VanDerWaalsContact N-CZ 3.31Å
43I93.1Very high90.7Very high19 Ų1961.1 Ų61.110%0.09728%0.282CS..  trans-101.4113.4-179.4-65.4167.1000107.9C38 K41 Y65 D69 L73C38-I43 HydrophobicContact CB-CB 4.49Å; C38-I43 PolarHBondContact O-N 3.36Å; K41-I43 HydrophobicContact CB-CD1 4.16Å; K41-I43 HydrophobicContact CB-CG1 4.39Å; I43-Y65 HydrophobicContact CG2-CD1 3.79Å; I43-Y65 HydrophobicContact CG2-CE1 4.26Å; I43-D69 HydrophobicContact CD1-CB 4.03Å; I43-D69 HydrophobicContact CG1-CB 4.17Å; I43-D69 HydrophobicContact CG2-CB 3.95Å; I43-L73 HydrophobicContact CD1-CD1 3.56Å; I43-L73 HydrophobicContact CD1-CD2 3.44Å; I43-L73 VanDerWaalsContact CD1-CD2 3.44Å; I43-L73 HydrophobicContact CD1-CG 3.3Å
44Y92.7Very high90.6Very high106 Ų10660.4 Ų60.442%0.41628%0.278SS..  trans-98.9152.8-176.9-58.1-79000111G42 L436G42-Y44 WeakPolarHBondContact O-CD2 3.36Å; G42-Y44 VanDerWaalsContact O-CE2 3.27Å; G42-Y44 WeakPolarHBondContact O-CE2 3.15Å; Y44-L436 HydrophobicContact CE1-CD2 4.42Å
45P94.1Very high90.2Very high80 Ų8060.9 Ų60.952%0.51928%0.283SS..  trans-66143.5170.630-35.3000110.6I63 Y64 Y65P45-I63 HydrophobicContact CB-CG2 3.49Å; P45-I63 VanDerWaalsContact CB-CG2 3.49Å; P45-Y64 CarbonylContact C-O 3.57Å; P45-Y64 WeakPolarHBondContact CA-O 3.41Å; P45-Y65 HydrophobicContact CB-CE1 4.34Å
46V92Very high90Very high51 Ų5163 Ų6331%0.30930%0.295SS..  trans-122.3136.4-177.8-177.90000110F17 P48 Y64F17-V46 HydrophobicContact CE1-CB 4.15Å; F17-V46 HydrophobicContact CE1-CG1 3.76Å; F17-V46 HydrophobicContact CZ-CG1 4.43Å; V46-P48 WeakPolarHBondContact O-CD 3.31Å; V46-Y64 PolarHBondContact N-O 3.18Å; V46-Y64 WeakPolarHBondContact O-CB 3.35Å
47E89.2Confident89.5Confident147 Ų14765.6 Ų65.669%0.68732%0.324SS*.  trans-84.7120.2172.5-64.2-151.7163.100111.7R51E47-R51 IonicContact OE1-NH2 3.11Å; E47-R51 PolarHBondContact OE1-NH2 3.15Å; E47-R51 VanDerWaalsContact OE1-NH2 3.11Å; E47-R51 IonicContact OE2-CZ 3.77Å; E47-R51 IonicContact OE2-NH2 2.73Å; E47-R51 PolarHBondContact OE2-NH2 3.26Å
48P89.5Confident89.2Confident8 Ų868 Ų685%0.05234%0.336CS..  trans-74139176.829.5-33.6000111F17 V46 S50 R51 V54 Y64F17-P48 HydrophobicContact CD2-CB 3.8Å; F17-P48 HydrophobicContact CE2-CB 3.82Å; F17-P48 HydrophobicContact CG-CB 4.24Å; F17-P48 HydrophobicContact CZ-CB 4.24Å; V46-P48 WeakPolarHBondContact O-CD 3.31Å; P48-S50 PolarHBondContact O-N 3.46Å; P48-R51 HydrophobicContact CG-CG 4.31Å; P48-V54 HydrophobicContact CB-CB 4.35Å; P48-V54 HydrophobicContact CB-CG2 3.64Å; P48-V54 HydrophobicContact CG-CB 4.29Å; P48-V54 HydrophobicContact CG-CG2 4.11Å; P48-Y64 HydrophobicContact CG-CD2 3.72Å; P48-Y64 HydrophobicContact CG-CE2 4.05Å; P48-Y64 HydrophobicContact CG-CG 4.26Å
49R87.9Confident88.7Confident241 Ų24171.1 Ų71.191%0.90936%0.358SS*.SBendtrans-49.8-34.4176.1-66.3-173.4179.6-175.1-0.5113.5
50S86.1Confident88.4Confident35 Ų3574.5 Ų74.525%0.24537%0.373CS..  trans-128.494.2175.8-170.70000111.4P48 K52 K53 V54P48-S50 PolarHBondContact O-N 3.46Å; S50-K52 VanDerWaalsContact C-N 3.3Å; S50-K52 PolarHBondContact O-N 3.38Å; S50-K53 PolarHBondContact O-N 3.03Å; S50-K53 WeakPolarHBondContact OG-CG 3.35Å; S50-V54 PolarHBondContact O-N 3.33Å
51R85.4Confident88.1Confident113 Ų11380 Ų8043%0.42641%0.409SS..Hα-helixtrans-55.2-42.5179.4-63.1-179.3-177.1-177-0.9112.4E47 P48 K53 V54 G55E47-R51 IonicContact OE1-NH2 3.11Å; E47-R51 PolarHBondContact OE1-NH2 3.15Å; E47-R51 VanDerWaalsContact OE1-NH2 3.11Å; E47-R51 IonicContact OE2-CZ 3.77Å; E47-R51 IonicContact OE2-NH2 2.73Å; E47-R51 PolarHBondContact OE2-NH2 3.26Å; P48-R51 HydrophobicContact CG-CG 4.31Å; R51-K53 PolarHBondContact O-N 3.22Å; R51-V54 PolarHBondContact O-N 3.02Å; R51-G55 PolarHBondContact O-N 3.29Å
52K86Confident87.9Confident136 Ų13684.9 Ų84.959%0.59143%0.427SS*.Hα-helixtrans-62-40.5179.9-66.6-176179.4-179.20113.2S50 K56 G57S50-K52 VanDerWaalsContact C-N 3.3Å; S50-K52 PolarHBondContact O-N 3.38Å; K52-K56 PolarHBondContact O-N 2.97Å; K52-G57 PolarHBondContact O-N 2.81Å
53K85.6Confident87.9Confident135 Ų13587.6 Ų87.659%0.58744%0.435SS*.Hα-helixtrans-65.8-47.9179.6-72.9-179-178.51770110.7V14 S50 R51 K56V14-K53 WeakPolarHBondContact CG2-O 3.4Å; S50-K53 PolarHBondContact O-N 3.03Å; S50-K53 WeakPolarHBondContact OG-CG 3.35Å; R51-K53 PolarHBondContact O-N 3.22Å; K53-K56 PolarHBondContact O-N 2.77Å
54V87.9Confident87.9Confident12 Ų1287.2 Ų87.27%0.07343%0.433CS..Hα-helixtrans-69.2-39.8-178.7-177.60000111.7Q13 F17 P48 S50 R51 K56 Y64Q13-V54 HydrophobicContact CB-CG2 3.97Å; F17-V54 HydrophobicContact CB-CG1 3.66Å; F17-V54 HydrophobicContact CB-CG2 4.47Å; F17-V54 HydrophobicContact CD2-CG2 3.89Å; F17-V54 HydrophobicContact CG-CG1 4.49Å; P48-V54 HydrophobicContact CB-CB 4.35Å; P48-V54 HydrophobicContact CB-CG2 3.64Å; P48-V54 HydrophobicContact CG-CB 4.29Å; P48-V54 HydrophobicContact CG-CG2 4.11Å; S50-V54 PolarHBondContact O-N 3.33Å; R51-V54 PolarHBondContact O-N 3.02Å; V54-K56 PolarHBondContact O-N 3.47Å; V54-Y64 HydrophobicContact CB-CE1 4.35Å; V54-Y64 HydrophobicContact CG1-CD1 3.62Å; V54-Y64 HydrophobicContact CG1-CE1 3.41Å; V54-Y64 VanDerWaalsContact CG1-CE1 3.41Å; V54-Y64 HydrophobicContact CG1-CG 4.33Å
55G86.2Confident88Confident10 Ų1082.9 Ų82.910%0.10342%0.416CS..THydrogen-bonded Turntrans-70.96.9176.200000115.1R51 G57 N58 Y64R51-G55 PolarHBondContact O-N 3.29Å; G55-G57 VanDerWaalsContact C-N 3.27Å; G55-G57 PolarHBondContact O-N 3.13Å; G55-N58 VanDerWaalsContact O-CB 3.29Å; G55-N58 WeakPolarHBondContact O-CB 3.42Å; G55-N58 PolarHBondContact O-N 3.42Å; G55-Y64 WeakPolarHBondContact CA-OH 3.44Å
56K86.7Confident88Confident133 Ų13381.3 Ų81.358%0.57840%0.403SS*.THydrogen-bonded Turntrans51.443.5-175.6-58.4-177.1179.2-176.60112.8V14 K52 K53 V54V14-K56 HydrophobicContact CG1-CG 4.41Å; K52-K56 PolarHBondContact O-N 2.97Å; K53-K56 PolarHBondContact O-N 2.77Å; V54-K56 PolarHBondContact O-N 3.47Å
57G82.5Confident88.1Confident61 Ų6179.7 Ų79.763%0.62940%0.395SS*.THydrogen-bonded Turntrans94.9-17.7-176.600000114.2K52 G55K52-G57 PolarHBondContact O-N 2.81Å; G55-G57 VanDerWaalsContact C-N 3.27Å; G55-G57 PolarHBondContact O-N 3.13Å
58N86.2Confident88.3Confident50 Ų5081.2 Ų81.227%0.26740%0.399SS..  trans-77.7127.4174.9-167.9-17.5000110.9G55 Q60 R62G55-N58 VanDerWaalsContact O-CB 3.29Å; G55-N58 WeakPolarHBondContact O-CB 3.42Å; G55-N58 PolarHBondContact O-N 3.42Å; N58-Q60 PolarHBondContact ND2-OE1 2.91Å; N58-Q60 VanDerWaalsContact OD1-CB 3.23Å; N58-Q60 WeakPolarHBondContact OD1-CB 3.37Å; N58-Q60 WeakPolarHBondContact OD1-CG 3.28Å; N58-Q60 PolarHBondContact OD1-N 3.03Å; N58-R62 PolarHBondContact ND2-NH2 3.38Å; N58-R62 VanDerWaalsContact ND2-NH2 3.12Å
59S82.5Confident88.6Confident71 Ų7183.4 Ų83.450%0.49741%0.41SS..  trans-96.80.5179.1-161.60000114
60Q85.6Confident88.9Confident113 Ų11372.1 Ų72.153%0.52837%0.368SS..SBendtrans-60.6142.6178.4-74.1171.5-16.700111.5N58 R62N58-Q60 PolarHBondContact ND2-OE1 2.91Å; N58-Q60 VanDerWaalsContact OD1-CB 3.23Å; N58-Q60 WeakPolarHBondContact OD1-CB 3.37Å; N58-Q60 WeakPolarHBondContact OD1-CG 3.28Å; N58-Q60 PolarHBondContact OD1-N 3.03Å; Q60-R62 PolarHBondContact O-N 3.22Å; Q60-R62 VanDerWaalsContact O-N 3.17Å
61P86.1Confident89.3Confident115 Ų11573 Ų7375%0.74738%0.378SS*.  trans-64.3117.8175.827.6-33.1000109.3
62R88.6Confident89.6Confident125 Ų12573.5 Ų73.547%0.47238%0.383SS..  trans-132146.1177.2-69-178.1178.8-169.1-2.4109N58 Q60 Y64N58-R62 PolarHBondContact ND2-NH2 3.38Å; N58-R62 VanDerWaalsContact ND2-NH2 3.12Å; Q60-R62 PolarHBondContact O-N 3.22Å; Q60-R62 VanDerWaalsContact O-N 3.17Å; R62-Y64 HydrophobicContact CB-CE2 3.91Å; R62-Y64 WeakPolarHBondContact O-CD2 3.38Å; R62-Y64 VanDerWaalsContact O-CE2 3.3Å; R62-Y64 WeakPolarHBondContact O-CE2 3.31Å
63I91.8Very high89.9Confident79 Ų7967 Ų6741%0.40536%0.355SS..  trans-79.4123.3175-56.5173.7000108.5Q20 P45 Y65Q20-I63 HydrophobicContact CB-CB 4.35Å; Q20-I63 PolarHBondContact N-O 3.27Å; P45-I63 HydrophobicContact CB-CG2 3.49Å; P45-I63 VanDerWaalsContact CB-CG2 3.49Å; I63-Y65 HydrophobicContact CG2-CD2 4.46Å; I63-Y65 HydrophobicContact CG2-CE2 3.76Å
64Y93.2Very high90.2Very high11 Ų1163.7 Ų63.74%0.04335%0.349CS..EExtended strand (participates in β ladder)trans-112.1149.1177.2-63.6-78.9000110.7F17 L18 P45 V46 P48 V54 G55 R62F17-Y64 HydrophobicContact CB-CD1 4.42Å; L18-Y64 WeakPolarHBondContact O-CA 3.45Å; P45-Y64 CarbonylContact C-O 3.57Å; P45-Y64 WeakPolarHBondContact CA-O 3.41Å; V46-Y64 PolarHBondContact N-O 3.18Å; V46-Y64 WeakPolarHBondContact O-CB 3.35Å; P48-Y64 HydrophobicContact CG-CD2 3.72Å; P48-Y64 HydrophobicContact CG-CE2 4.05Å; P48-Y64 HydrophobicContact CG-CG 4.26Å; V54-Y64 HydrophobicContact CB-CE1 4.35Å; V54-Y64 HydrophobicContact CG1-CD1 3.62Å; V54-Y64 HydrophobicContact CG1-CE1 3.41Å; V54-Y64 VanDerWaalsContact CG1-CE1 3.41Å; V54-Y64 HydrophobicContact CG1-CG 4.33Å; G55-Y64 WeakPolarHBondContact CA-OH 3.44Å; R62-Y64 HydrophobicContact CB-CE2 3.91Å; R62-Y64 WeakPolarHBondContact O-CD2 3.38Å; R62-Y64 VanDerWaalsContact O-CE2 3.3Å; R62-Y64 WeakPolarHBondContact O-CE2 3.31Å
65Y94.7Very high90.3Very high15 Ų1570.8 Ų70.86%0.05938%0.38CS..EExtended strand (participates in β ladder)trans-125.9157172.5-68.3-88000108.7F17 L18 Q20 F34 I43 P45 I63 A67 I70F17-Y65 CarbonylContact C-O 3.57Å; F17-Y65 WeakPolarHBondContact CA-O 3.36Å; L18-Y65 PolarHBondContact N-O 2.84Å; L18-Y65 PolarHBondContact O-N 3.33Å; Q20-Y65 HydrophobicContact CB-CE2 4.09Å; Q20-Y65 HydrophobicContact CG-CE2 4.2Å; F34-Y65 HydrophobicContact CE1-CD2 4.48Å; F34-Y65 AromaticContact CE1-CE2 3.77Å; F34-Y65 HydrophobicContact CE1-CE2 3.77Å; F34-Y65 AromaticContact CE1-CZ 3.9Å; F34-Y65 HydrophobicContact CZ-CD2 4.13Å; F34-Y65 AromaticContact CZ-CE2 3.86Å; F34-Y65 HydrophobicContact CZ-CE2 3.86Å; I43-Y65 HydrophobicContact CG2-CD1 3.79Å; I43-Y65 HydrophobicContact CG2-CE1 4.26Å; P45-Y65 HydrophobicContact CB-CE1 4.34Å; I63-Y65 HydrophobicContact CG2-CD2 4.46Å; I63-Y65 HydrophobicContact CG2-CE2 3.76Å; Y65-A67 PolarHBondContact O-N 3.41Å; Y65-I70 HydrophobicContact CG-CD1 4.24Å
66N94.6Very high90.5Very high46 Ų4671.2 Ų71.225%0.24638%0.38CS..EExtended strand (participates in β ladder)trans-69.3135.7171.9-57.5-45.3000110A16 F17 K68 D69 I70A16-N66 WeakPolarHBondContact O-CA 3.43Å; F17-N66 VanDerWaalsContact CE1-OD1 3.24Å; F17-N66 WeakPolarHBondContact CE1-OD1 3.48Å; N66-K68 PolarHBondContact O-N 2.92Å; N66-D69 HydrophobicContact CB-CB 4.34Å; N66-D69 WeakPolarHBondContact CB-OD2 3.48Å; N66-D69 PolarHBondContact ND2-OD2 3.02Å; N66-D69 PolarHBondContact O-N 3.45Å; N66-I70 PolarHBondContact O-N 3.43Å
67A94.2Very high90.7Very high17 Ų1769.1 Ų69.114%0.1438%0.38CS..Hα-helixtrans-63.8-30.4178.500000112.3V15 A16 Y65 A71V15-A67 VanDerWaalsContact O-CB 3.27Å; V15-A67 WeakPolarHBondContact O-CB 3.24Å; A16-A67 WeakPolarHBondContact O-CB 3.41Å; A16-A67 PolarHBondContact O-N 3.34Å; Y65-A67 PolarHBondContact O-N 3.41Å; A67-A71 WeakPolarHBondContact O-CB 3.22Å; A67-A71 PolarHBondContact O-N 3Å
68K94Very high91.1Very high180 Ų18066.6 Ų66.678%0.78335%0.352SS*.Hα-helixtrans-64.1-45.5175.9-65.9-175.4179.5-177.60111.5N66 I70 A71 F72N66-K68 PolarHBondContact O-N 2.92Å; K68-I70 PolarHBondContact O-N 2.85Å; K68-A71 WeakPolarHBondContact O-CB 3.15Å; K68-A71 PolarHBondContact O-N 3.09Å; K68-A71 VanDerWaalsContact O-N 3.16Å; K68-F72 PolarHBondContact O-N 2.71Å
69D94.7Very high91.4Very high54 Ų5464.7 Ų64.729%0.28934%0.341SS..Hα-helixtrans-66.3-40.6-178.7-53.9-10.9000110.9I43 N66 A71 F72 L73I43-D69 HydrophobicContact CD1-CB 4.03Å; I43-D69 HydrophobicContact CG1-CB 4.17Å; I43-D69 HydrophobicContact CG2-CB 3.95Å; N66-D69 HydrophobicContact CB-CB 4.34Å; N66-D69 WeakPolarHBondContact CB-OD2 3.48Å; N66-D69 PolarHBondContact ND2-OD2 3.02Å; N66-D69 PolarHBondContact O-N 3.45Å; D69-A71 VanDerWaalsContact C-N 3.32Å; D69-A71 PolarHBondContact O-N 3.12Å; D69-F72 WeakPolarHBondContact O-CB 3.49Å; D69-F72 PolarHBondContact O-N 3.14Å; D69-L73 WeakPolarHBondContact O-CG 3.49Å; D69-L73 PolarHBondContact O-N 2.8Å
70I94.5Very high91.8Very high4 Ų465.3 Ų65.32%0.02134%0.336CS..Hα-helixtrans-67.3-33.9175-58.1-54.4000111.9L18 A23 L27 F34 Y65 N66 K68 L73 S74L18-I70 HydrophobicContact CD2-CB 4.37Å; L18-I70 HydrophobicContact CD2-CG1 4.39Å; L18-I70 HydrophobicContact CD2-CG2 4.01Å; A23-I70 HydrophobicContact CB-CD1 3.91Å; A23-I70 HydrophobicContact CB-CG1 3.94Å; A23-I70 HydrophobicContact CB-CG2 4.12Å; L27-I70 HydrophobicContact CD1-CG2 4.21Å; L27-I70 HydrophobicContact CD2-CG2 4.49Å; L27-I70 HydrophobicContact CG-CG2 4.17Å; F34-I70 HydrophobicContact CE2-CD1 4.06Å; F34-I70 HydrophobicContact CZ-CD1 4.17Å; Y65-I70 HydrophobicContact CG-CD1 4.24Å; N66-I70 PolarHBondContact O-N 3.43Å; K68-I70 PolarHBondContact O-N 2.85Å; I70-L73 HydrophobicContact CD1-CD1 3.96Å; I70-L73 PolarHBondContact O-N 2.62Å; I70-S74 PolarHBondContact O-N 3.04Å
71A93.6Very high92.1Very high54 Ų5461.2 Ų61.245%0.44632%0.319SS..Hα-helixtrans-65.6-42.4173.300000110.9A67 K68 D69 L73 S74A67-A71 WeakPolarHBondContact O-CB 3.22Å; A67-A71 PolarHBondContact O-N 3Å; K68-A71 WeakPolarHBondContact O-CB 3.15Å; K68-A71 PolarHBondContact O-N 3.09Å; K68-A71 VanDerWaalsContact O-N 3.16Å; D69-A71 VanDerWaalsContact C-N 3.32Å; D69-A71 PolarHBondContact O-N 3.12Å; A71-L73 VanDerWaalsContact C-N 3.34Å; A71-L73 PolarHBondContact O-N 2.86Å; A71-S74 WeakPolarHBondContact O-CB 3.48Å; A71-S74 PolarHBondContact O-N 2.87Å; A71-S74 VanDerWaalsContact O-N 3.16Å; A71-S74 PolarHBondContact O-OG 2.99Å
72F92.6Very high92.3Very high123 Ų12356 Ų5654%0.53929%0.285SS..Hα-helixtrans-59.2-43.3174-179-104.6000112.1K41 K68 D69 S74 H75K41-F72 HydrophobicContact CD-CE1 4.37Å; K68-F72 PolarHBondContact O-N 2.71Å; D69-F72 WeakPolarHBondContact O-CB 3.49Å; D69-F72 PolarHBondContact O-N 3.14Å; F72-S74 PolarHBondContact O-N 3.4Å; F72-S74 VanDerWaalsContact O-N 3.17Å; F72-H75 PolarHBondContact O-N 3.37Å
73L92.6Very high92.4Very high0 Ų055 Ų550%028%0.281CS..Hα-helixtrans-57.7-30.6176.1-76.2-177.6000114L27 L37 K41 I43 D69 I70 A71 H75 E76 I79L27-L73 HydrophobicContact CD1-CB 4.09Å; L27-L73 HydrophobicContact CD1-CD1 3.99Å; L27-L73 HydrophobicContact CD2-CB 4.15Å; L37-L73 HydrophobicContact CD1-CD2 4.45Å; L37-L73 HydrophobicContact CD2-CB 4.27Å; L37-L73 HydrophobicContact CD2-CD1 4.21Å; L37-L73 HydrophobicContact CD2-CD2 3.97Å; L37-L73 HydrophobicContact CD2-CG 4.39Å; L37-L73 HydrophobicContact CG-CD1 4.46Å; L37-L73 HydrophobicContact CG-CD2 3.81Å; K41-L73 HydrophobicContact CB-CD2 3.83Å; K41-L73 HydrophobicContact CG-CD2 3.74Å; I43-L73 HydrophobicContact CD1-CD1 3.56Å; I43-L73 HydrophobicContact CD1-CD2 3.44Å; I43-L73 VanDerWaalsContact CD1-CD2 3.44Å; I43-L73 HydrophobicContact CD1-CG 3.3Å; D69-L73 WeakPolarHBondContact O-CG 3.49Å; D69-L73 PolarHBondContact O-N 2.8Å; I70-L73 HydrophobicContact CD1-CD1 3.96Å; I70-L73 PolarHBondContact O-N 2.62Å; A71-L73 VanDerWaalsContact C-N 3.34Å; A71-L73 PolarHBondContact O-N 2.86Å; L73-H75 PolarHBondContact O-N 2.9Å; L73-H75 VanDerWaalsContact O-N 3.15Å; L73-E76 VanDerWaalsContact O-CB 3.28Å; L73-E76 WeakPolarHBondContact O-CB 3.49Å; L73-E76 PolarHBondContact O-N 3.18Å; L73-I79 WeakPolarHBondContact O-CD1 3.39Å
74S91Very high92.4Very high65 Ų6556.5 Ų56.546%0.45529%0.285SS..THydrogen-bonded Turntrans-62.2-23.6-175.5740000113.8I70 A71 F72I70-S74 PolarHBondContact O-N 3.04Å; A71-S74 WeakPolarHBondContact O-CB 3.48Å; A71-S74 PolarHBondContact O-N 2.87Å; A71-S74 VanDerWaalsContact O-N 3.16Å; A71-S74 PolarHBondContact O-OG 2.99Å; F72-S74 PolarHBondContact O-N 3.4Å; F72-S74 VanDerWaalsContact O-N 3.17Å
75H90.5Very high92.3Very high160 Ų16056.2 Ų56.274%0.74128%0.284SS*.THydrogen-bonded Turntrans-90.6-1.8179.2-64-70.4000113.4F72 L73F72-H75 PolarHBondContact O-N 3.37Å; L73-H75 PolarHBondContact O-N 2.9Å; L73-H75 VanDerWaalsContact O-N 3.15Å
76E91Very high92Very high19 Ų1963 Ų639%0.08931%0.31CS..  trans-74.1124.8-172.1-176.457.6-170.800112.7L37 K41 L73 L78 I79 I119L37-E76 HydrophobicContact CD1-CG 3.99Å; K41-E76 WeakPolarHBondContact CE-OE1 3.24Å; K41-E76 WeakPolarHBondContact CE-OE2 3.44Å; K41-E76 IonicContact NZ-OE1 3.38Å; K41-E76 PolarHBondContact NZ-OE1 3.39Å; K41-E76 IonicContact NZ-OE2 2.99Å; K41-E76 PolarHBondContact NZ-OE2 2.96Å; L73-E76 VanDerWaalsContact O-CB 3.28Å; L73-E76 WeakPolarHBondContact O-CB 3.49Å; L73-E76 PolarHBondContact O-N 3.18Å; E76-L78 HydrophobicContact CG-CB 4.02Å; E76-L78 HydrophobicContact CG-CG 4.3Å; E76-L78 PolarHBondContact O-N 3.15Å; E76-L78 VanDerWaalsContact O-N 3.1Å; E76-I79 WeakPolarHBondContact O-CB 3.3Å; E76-I79 PolarHBondContact O-N 2.73Å; E76-I79 VanDerWaalsContact O-N 3.07Å; E76-I119 WeakPolarHBondContact OE1-CD1 3.27Å
77P90.9Very high91.9Very high89 Ų8964.4 Ų64.458%0.57832%0.32SS*.Hα-helixtrans-59.8-24.9-178.621.2-35.6000114.2I79 E80 T81P77-I79 PolarHBondContact O-N 2.89Å; P77-E80 PolarHBondContact O-N 2.79Å; P77-E80 VanDerWaalsContact O-N 3.14Å; P77-T81 PolarHBondContact O-N 2.81Å
78L90.6Very high91.9Very high8 Ų864.4 Ų64.44%0.04232%0.316CS..Hα-helixtrans-58.3-31.5176.1-70.8-172.1000112.8L37 L40 E76 E80 T81 F82 Y114 L116 I119L37-L78 HydrophobicContact CD1-CB 4.1Å; L37-L78 HydrophobicContact CD1-CD1 4.28Å; L40-L78 HydrophobicContact CD1-CD1 3.72Å; E76-L78 HydrophobicContact CG-CB 4.02Å; E76-L78 HydrophobicContact CG-CG 4.3Å; E76-L78 PolarHBondContact O-N 3.15Å; E76-L78 VanDerWaalsContact O-N 3.1Å; L78-E80 PolarHBondContact O-N 3.17Å; L78-T81 WeakPolarHBondContact CA-OG1 3.37Å; L78-T81 WeakPolarHBondContact O-CA 3.26Å; L78-T81 PolarHBondContact O-N 2.87Å; L78-T81 PolarHBondContact O-OG1 3.18Å; L78-F82 HydrophobicContact CB-CE2 4.34Å; L78-F82 HydrophobicContact CB-CZ 4.33Å; L78-F82 WeakPolarHBondContact O-CG 3.07Å; L78-F82 PolarHBondContact O-N 3.36Å; L78-Y114 HydrophobicContact CD2-CD2 3.57Å; L78-Y114 HydrophobicContact CD2-CE2 4.3Å; L78-Y114 HydrophobicContact CD2-CG 3.8Å; L78-L116 HydrophobicContact CD1-CD2 4.17Å; L78-I119 HydrophobicContact CD1-CD1 3.26Å; L78-I119 HydrophobicContact CG-CD1 3.91Å
79I91.7Very high91.6Very high10 Ų1057.5 Ų57.55%0.05129%0.287CS..Hα-helixtrans-57.4-43.4178.2-64.4-174.7000110.5L27 L29 L37 L73 E76 P77 T81 F82 R83L27-I79 HydrophobicContact CD2-CD1 4.06Å; L29-I79 HydrophobicContact CD1-CD1 4.44Å; L29-I79 HydrophobicContact CD1-CG1 4.28Å; L29-I79 HydrophobicContact CD2-CG2 4.31Å; L37-I79 HydrophobicContact CD2-CD1 3.89Å; L37-I79 HydrophobicContact CD2-CG1 3.74Å; L73-I79 WeakPolarHBondContact O-CD1 3.39Å; E76-I79 WeakPolarHBondContact O-CB 3.3Å; E76-I79 PolarHBondContact O-N 2.73Å; E76-I79 VanDerWaalsContact O-N 3.07Å; P77-I79 PolarHBondContact O-N 2.89Å; I79-T81 VanDerWaalsContact C-N 3.34Å; I79-F82 PolarHBondContact O-N 3.49Å; I79-R83 WeakPolarHBondContact O-CG 3.48Å; I79-R83 PolarHBondContact O-N 3.31Å
80E91.9Very high91.5Very high84 Ų8459.3 Ų59.339%0.39330%0.299SS..Hα-helixtrans-68.9-35.3178.7-173.551.6-14400111.5P77 L78 F82 R83 K84P77-E80 PolarHBondContact O-N 2.79Å; P77-E80 VanDerWaalsContact O-N 3.14Å; L78-E80 PolarHBondContact O-N 3.17Å; E80-F82 PolarHBondContact O-N 3.11Å; E80-R83 PolarHBondContact O-N 3.12Å; E80-R83 WeakPolarHBondContact OE2-CD 3.17Å; E80-R83 IonicContact OE2-NH1 3.39Å; E80-K84 WeakPolarHBondContact O-CG 3.49Å; E80-K84 PolarHBondContact O-N 2.84Å
81T90.7Very high91.4Very high27 Ų2764.8 Ų64.817%0.16632%0.323CS..Hα-helixtrans-65.2-38.5173.774.10000112.1P77 L78 I79 R83 K84 L85P77-T81 PolarHBondContact O-N 2.81Å; L78-T81 WeakPolarHBondContact CA-OG1 3.37Å; L78-T81 WeakPolarHBondContact O-CA 3.26Å; L78-T81 PolarHBondContact O-N 2.87Å; L78-T81 PolarHBondContact O-OG1 3.18Å; I79-T81 VanDerWaalsContact C-N 3.34Å; T81-R83 VanDerWaalsContact C-N 3.34Å; T81-R83 PolarHBondContact O-N 3.48Å; T81-K84 PolarHBondContact O-N 3.28Å; T81-L85 WeakPolarHBondContact O-CB 3.35Å; T81-L85 WeakPolarHBondContact O-CG 3.35Å; T81-L85 PolarHBondContact O-N 3.44Å
82F90.8Very high91.4Very high6 Ų662.9 Ų62.93%0.02631%0.306CS..Hα-helixtrans-65.6-37.1175.2-64.3-24.5000111.8N33 R36 L37 L40 L78 I79 E80 L85 R86 Y114N33-F82 HydrophobicContact CB-CD2 4.26Å; R36-F82 HydrophobicContact CG-CZ 4.1Å; L37-F82 HydrophobicContact CB-CE2 4.24Å; L37-F82 HydrophobicContact CD1-CE2 4.23Å; L40-F82 HydrophobicContact CD1-CZ 4.39Å; L78-F82 HydrophobicContact CB-CE2 4.34Å; L78-F82 HydrophobicContact CB-CZ 4.33Å; L78-F82 WeakPolarHBondContact O-CG 3.07Å; L78-F82 PolarHBondContact O-N 3.36Å; I79-F82 PolarHBondContact O-N 3.49Å; E80-F82 PolarHBondContact O-N 3.11Å; F82-L85 HydrophobicContact CD1-CD1 4.29Å; F82-L85 PolarHBondContact O-N 2.84Å; F82-R86 PolarHBondContact O-N 3.38Å; F82-Y114 HydrophobicContact CE1-CD1 4.47Å; F82-Y114 AromaticContact CE1-CE1 3.94Å; F82-Y114 HydrophobicContact CE1-CE1 3.94Å
83R90.9Very high91.4Very high103 Ų10363.4 Ų63.439%0.38931%0.307SS..Hα-helixtrans-64.2-46.2172.5-69.4171.1179.2170.5-1.2111.4I79 E80 T81 L85 R86 V87I79-R83 WeakPolarHBondContact O-CG 3.48Å; I79-R83 PolarHBondContact O-N 3.31Å; E80-R83 PolarHBondContact O-N 3.12Å; E80-R83 WeakPolarHBondContact OE2-CD 3.17Å; E80-R83 IonicContact OE2-NH1 3.39Å; T81-R83 VanDerWaalsContact C-N 3.34Å; T81-R83 PolarHBondContact O-N 3.48Å; R83-L85 VanDerWaalsContact C-N 3.32Å; R83-L85 PolarHBondContact O-N 3.31Å; R83-R86 WeakPolarHBondContact O-CB 3.36Å; R83-R86 PolarHBondContact O-N 2.91Å; R83-V87 WeakPolarHBondContact O-CG2 3.19Å; R83-V87 PolarHBondContact O-N 3.05Å
84K92.1Very high91.4Very high111 Ų11168.3 Ų68.348%0.48333%0.329SS..Hα-helixtrans-59.1-41.8174.5-72.1170.1-178.3171.60111.9E80 T81 V87 F88 P112E80-K84 WeakPolarHBondContact O-CG 3.49Å; E80-K84 PolarHBondContact O-N 2.84Å; T81-K84 PolarHBondContact O-N 3.28Å; K84-V87 PolarHBondContact O-N 3.44Å; K84-F88 WeakPolarHBondContact O-CB 3.49Å; K84-F88 PolarHBondContact O-N 3.01Å; K84-P112 HydrophobicContact CB-CB 4.16Å; K84-P112 HydrophobicContact CB-CG 4.13Å
85L90.8Very high91.5Very high5 Ų565.2 Ų65.23%0.02631%0.307CS..Hα-helixtrans-61.7-45.6174.3-81166.9000111.5T81 F82 R83 V87 F88 H89 P112 Y114T81-L85 WeakPolarHBondContact O-CB 3.35Å; T81-L85 WeakPolarHBondContact O-CG 3.35Å; T81-L85 PolarHBondContact O-N 3.44Å; F82-L85 HydrophobicContact CD1-CD1 4.29Å; F82-L85 PolarHBondContact O-N 2.84Å; R83-L85 VanDerWaalsContact C-N 3.32Å; R83-L85 PolarHBondContact O-N 3.31Å; L85-V87 VanDerWaalsContact C-N 3.33Å; L85-V87 PolarHBondContact O-N 3.06Å; L85-F88 WeakPolarHBondContact O-CB 3.42Å; L85-F88 PolarHBondContact O-N 3.19Å; L85-F88 VanDerWaalsContact O-N 3.17Å; L85-H89 PolarHBondContact O-N 3.42Å; L85-H89 PolarHBondContact O-ND1 2.96Å; L85-P112 HydrophobicContact CD2-CG 3.75Å; L85-P112 WeakPolarHBondContact CD2-O 3.5Å; L85-P112 HydrophobicContact CG-CG 3.9Å; L85-Y114 HydrophobicContact CD1-CD1 4.28Å; L85-Y114 HydrophobicContact CD1-CE1 4.22Å
86R89.3Confident91.6Very high159 Ų15964.1 Ų64.160%0.630%0.296SS*.Hα-helixtrans-57.3-46175-175.3179.7176.3-178.4-0.6111.6F82 R83 F88 H89 V90F82-R86 PolarHBondContact O-N 3.38Å; R83-R86 WeakPolarHBondContact O-CB 3.36Å; R83-R86 PolarHBondContact O-N 2.91Å; R86-F88 VanDerWaalsContact C-N 3.34Å; R86-F88 PolarHBondContact O-N 3.21Å; R86-H89 PolarHBondContact O-N 2.98Å; R86-V90 WeakPolarHBondContact O-CG2 3.2Å; R86-V90 PolarHBondContact O-N 3.05Å; R86-V90 VanDerWaalsContact O-N 3.09Å
87V92.2Very high91.8Very high75 Ų7569.2 Ų69.246%0.45532%0.32SS..Hα-helixtrans-62-41.9176.3173.40000111.4R83 K84 L85 H89 V90 K91R83-V87 WeakPolarHBondContact O-CG2 3.19Å; R83-V87 PolarHBondContact O-N 3.05Å; K84-V87 PolarHBondContact O-N 3.44Å; L85-V87 VanDerWaalsContact C-N 3.33Å; L85-V87 PolarHBondContact O-N 3.06Å; V87-H89 VanDerWaalsContact C-N 3.34Å; V87-H89 PolarHBondContact O-N 2.98Å; V87-V90 PolarHBondContact O-N 2.77Å; V87-K91 HydrophobicContact CG1-CD 4.08Å; V87-K91 HydrophobicContact CG1-CG 4.43Å; V87-K91 WeakPolarHBondContact O-CG 3.18Å; V87-K91 PolarHBondContact O-N 3.01Å
88F92.8Very high92Very high16 Ų1672.5 Ų72.57%0.0732%0.321CS..Hα-helixtrans-57.3-45.6174.2162-87.3000111.6K84 L85 R86 V90 K91 L92 V107 K111 P112K84-F88 WeakPolarHBondContact O-CB 3.49Å; K84-F88 PolarHBondContact O-N 3.01Å; L85-F88 WeakPolarHBondContact O-CB 3.42Å; L85-F88 PolarHBondContact O-N 3.19Å; L85-F88 VanDerWaalsContact O-N 3.17Å; R86-F88 VanDerWaalsContact C-N 3.34Å; R86-F88 PolarHBondContact O-N 3.21Å; F88-V90 PolarHBondContact O-N 2.92Å; F88-K91 PolarHBondContact O-N 3.41Å; F88-L92 HydrophobicContact CE1-CD2 4.23Å; F88-L92 HydrophobicContact CZ-CD2 4.3Å; F88-L92 WeakPolarHBondContact O-CB 3.37Å; F88-L92 PolarHBondContact O-N 3.27Å; F88-V107 HydrophobicContact CD2-CG1 3.69Å; F88-V107 HydrophobicContact CE2-CG1 3.69Å; F88-V107 WeakPolarHBondContact CE2-O 3.42Å; F88-V107 HydrophobicContact CZ-CG1 4.48Å; F88-K111 HydrophobicContact CD2-CB 4.25Å; F88-K111 HydrophobicContact CD2-CG 4.35Å; F88-K111 HydrophobicContact CE1-CD 4.28Å; F88-K111 HydrophobicContact CE1-CG 4.08Å; F88-K111 HydrophobicContact CE2-CB 3.61Å; F88-K111 HydrophobicContact CE2-CG 3.84Å; F88-K111 HydrophobicContact CZ-CB 3.9Å; F88-K111 HydrophobicContact CZ-CD 3.97Å; F88-K111 HydrophobicContact CZ-CG 3.73Å; F88-P112 HydrophobicContact CB-CG 4.16Å
89H88.7Confident92Very high35 Ų3580 Ų8016%0.16235%0.354CS..Hα-helixtrans-63.9-41178.8-68.4111.4000112.6L85 R86 V87 L92 K93 S469 I473L85-H89 PolarHBondContact O-N 3.42Å; L85-H89 PolarHBondContact O-ND1 2.96Å; R86-H89 PolarHBondContact O-N 2.98Å; V87-H89 VanDerWaalsContact C-N 3.34Å; V87-H89 PolarHBondContact O-N 2.98Å; H89-L92 PolarHBondContact O-N 3.49Å; H89-K93 WeakPolarHBondContact O-CB 3.23Å; H89-K93 PolarHBondContact O-N 2.88Å; H89-S469 PolarHBondContact CE1-OG 3.19Å; H89-I473 WeakPolarHBondContact CD2-CD1 3.26Å
90V92.2Very high92.1Very high92 Ų9282.7 Ų82.756%0.55837%0.368SS*.Hα-helixtrans-62.9-43.6174.5175.20000110.9R86 V87 F88 L92 K93 K94R86-V90 WeakPolarHBondContact O-CG2 3.2Å; R86-V90 PolarHBondContact O-N 3.05Å; R86-V90 VanDerWaalsContact O-N 3.09Å; V87-V90 PolarHBondContact O-N 2.77Å; F88-V90 PolarHBondContact O-N 2.92Å; V90-L92 PolarHBondContact O-N 3.32Å; V90-K93 PolarHBondContact O-N 3.26Å; V90-K94 WeakPolarHBondContact O-CB 3.36Å; V90-K94 PolarHBondContact O-N 3.22Å
91K92.8Very high92.1Very high119 Ų11987.1 Ų87.152%0.51739%0.386SS..Hα-helixtrans-62.5-41.7176-74.2175.8179.6175.60111.8V87 F88 K94 A95 V107V87-K91 HydrophobicContact CG1-CD 4.08Å; V87-K91 HydrophobicContact CG1-CG 4.43Å; V87-K91 WeakPolarHBondContact O-CG 3.18Å; V87-K91 PolarHBondContact O-N 3.01Å; F88-K91 PolarHBondContact O-N 3.41Å; K91-K94 PolarHBondContact O-N 3.43Å; K91-A95 WeakPolarHBondContact O-CB 3.41Å; K91-A95 PolarHBondContact O-N 3.34Å; K91-V107 HydrophobicContact CB-CG1 4.23Å; K91-V107 HydrophobicContact CB-CG2 4.21Å
92L92.4Very high92.1Very high15 Ų1592.7 Ų92.78%0.07941%0.41CS..Hα-helixtrans-66.3-45.5178.5-173.569.7000111.3F88 H89 V90 A95 R96 E104 V107 R108F88-L92 HydrophobicContact CE1-CD2 4.23Å; F88-L92 HydrophobicContact CZ-CD2 4.3Å; F88-L92 WeakPolarHBondContact O-CB 3.37Å; F88-L92 PolarHBondContact O-N 3.27Å; H89-L92 PolarHBondContact O-N 3.49Å; V90-L92 PolarHBondContact O-N 3.32Å; L92-A95 PolarHBondContact O-N 3.33Å; L92-R96 WeakPolarHBondContact O-CG 3.48Å; L92-R96 PolarHBondContact O-N 3.35Å; L92-E104 HydrophobicContact CD1-CG 3.65Å; L92-V107 HydrophobicContact CB-CG1 4.02Å; L92-V107 HydrophobicContact CD1-CG1 4.15Å; L92-R108 HydrophobicContact CD1-CG 3.76Å
93K92.9Very high92.1Very high133 Ų13395.4 Ų95.458%0.57842%0.422SS*.Hα-helixtrans-58.5-48.3174.9-177.5176.8173.8-1800111H89 V90 A95 R96 E97H89-K93 WeakPolarHBondContact O-CB 3.23Å; H89-K93 PolarHBondContact O-N 2.88Å; V90-K93 PolarHBondContact O-N 3.26Å; K93-A95 VanDerWaalsContact C-N 3.33Å; K93-A95 PolarHBondContact O-N 2.98Å; K93-R96 PolarHBondContact O-N 2.93Å; K93-E97 WeakPolarHBondContact CE-OE1 3.43Å; K93-E97 HydrophobicContact CG-CG 4.48Å; K93-E97 WeakPolarHBondContact CG-OE1 2.93Å; K93-E97 WeakPolarHBondContact O-CG 3.15Å; K93-E97 PolarHBondContact O-N 3.22Å
94K94Very high92.1Very high104 Ų10491.6 Ų91.645%0.45241%0.409SS..Hα-helixtrans-61.5-37.1177.6-172.3171.2-175.6169.90112.9V90 K91 R98V90-K94 WeakPolarHBondContact O-CB 3.36Å; V90-K94 PolarHBondContact O-N 3.22Å; K91-K94 PolarHBondContact O-N 3.43Å; K94-R98 VanDerWaalsContact CE-CZ 3.48Å; K94-R98 WeakPolarHBondContact O-CB 3.3Å; K94-R98 VanDerWaalsContact O-CG 3.24Å; K94-R98 WeakPolarHBondContact O-CG 3.5Å; K94-R98 PolarHBondContact O-N 3.01Å
95A93Very high92.1Very high0 Ų092.7 Ų92.70%041%0.413CS..Hα-helixtrans-67.4-43.3175.200000111.7K91 L92 K93 R98 K99 D100 K103 E104K91-A95 WeakPolarHBondContact O-CB 3.41Å; K91-A95 PolarHBondContact O-N 3.34Å; L92-A95 PolarHBondContact O-N 3.33Å; K93-A95 VanDerWaalsContact C-N 3.33Å; K93-A95 PolarHBondContact O-N 2.98Å; A95-R98 PolarHBondContact O-N 3.18Å; A95-K99 PolarHBondContact O-N 3.38Å; A95-D100 PolarHBondContact O-N 3.23Å; A95-D100 VanDerWaalsContact O-N 3.14Å; A95-K103 HydrophobicContact CB-CB 4.47Å; A95-K103 HydrophobicContact CB-CG 4.22Å; A95-E104 HydrophobicContact CB-CB 4.03Å; A95-E104 HydrophobicContact CB-CG 4.41Å
96R93Very high92.1Very high136 Ų13698.7 Ų98.751%0.51344%0.436SS..Hα-helixtrans-63.4-44.9176.8-74.1175176.3177.1-0.2112.8L92 K93 R98 K99 E104L92-R96 WeakPolarHBondContact O-CG 3.48Å; L92-R96 PolarHBondContact O-N 3.35Å; K93-R96 PolarHBondContact O-N 2.93Å; R96-R98 VanDerWaalsContact C-N 3.31Å; R96-R98 PolarHBondContact O-N 3.14Å; R96-K99 PolarHBondContact O-N 2.64Å; R96-E104 VanDerWaalsContact CG-CD 3.49Å; R96-E104 HydrophobicContact CG-CG 4.19Å; R96-E104 WeakPolarHBondContact CG-OE1 3.5Å; R96-E104 IonicContact CZ-OE1 3.52Å; R96-E104 IonicContact NE-OE1 3.64Å; R96-E104 PolarHBondContact NE-OE1 3.15Å; R96-E104 IonicContact NH2-OE1 3.79Å
97E94.7Very high92.2Very high127 Ų12792 Ų9259%0.59341%0.412SS*.Hα-helixtrans-63.2-38.3177.7-73.5169.5176.900112K93 K99K93-E97 WeakPolarHBondContact CE-OE1 3.43Å; K93-E97 HydrophobicContact CG-CG 4.48Å; K93-E97 WeakPolarHBondContact CG-OE1 2.93Å; K93-E97 WeakPolarHBondContact O-CG 3.15Å; K93-E97 PolarHBondContact O-N 3.22Å; E97-K99 PolarHBondContact O-N 3.23Å
98R94.1Very high92.1Very high157 Ų15794.7 Ų94.759%0.59242%0.415SS*.THydrogen-bonded Turntrans-75.4-9.4173.9-69.8177.9178.7-159.1-4.6113.6K94 A95 R96 D100K94-R98 VanDerWaalsContact CE-CZ 3.48Å; K94-R98 WeakPolarHBondContact O-CB 3.3Å; K94-R98 VanDerWaalsContact O-CG 3.24Å; K94-R98 WeakPolarHBondContact O-CG 3.5Å; K94-R98 PolarHBondContact O-N 3.01Å; A95-R98 PolarHBondContact O-N 3.18Å; R96-R98 VanDerWaalsContact C-N 3.31Å; R96-R98 PolarHBondContact O-N 3.14Å; R98-D100 HydrophobicContact CB-CB 4.4Å; R98-D100 PolarHBondContact O-N 3.01Å
99K90.9Very high92Very high167 Ų16799 Ų9973%0.72644%0.437SS*.THydrogen-bonded Turntrans55.627.7-174.7-57.7178.2-179.31740113.5A95 R96 E97 K101A95-K99 PolarHBondContact O-N 3.38Å; R96-K99 PolarHBondContact O-N 2.64Å; E97-K99 PolarHBondContact O-N 3.23Å; K99-K101 PolarHBondContact O-N 3.36Å
100D92.9Very high92.1Very high65 Ų65102.8 Ų102.835%0.34846%0.459SS..  trans-85.993.8178.5-178.5-10.5000109A95 R98 E102 K103 E104A95-D100 PolarHBondContact O-N 3.23Å; A95-D100 VanDerWaalsContact O-N 3.14Å; R98-D100 HydrophobicContact CB-CB 4.4Å; R98-D100 PolarHBondContact O-N 3.01Å; D100-E102 VanDerWaalsContact C-N 3.34Å; D100-E102 PolarHBondContact O-N 3.33Å; D100-E102 PolarHBondContact OD1-N 3.29Å; D100-K103 HydrophobicContact CB-CB 4.12Å; D100-K103 WeakPolarHBondContact OD1-CB 3.5Å; D100-K103 PolarHBondContact OD1-N 3.1Å; D100-K103 VanDerWaalsContact OD1-N 3.1Å; D100-K103 WeakPolarHBondContact OD2-CB 3.26Å; D100-E104 WeakPolarHBondContact O-CB 3.34Å; D100-E104 PolarHBondContact O-N 3.4Å
101K92.1Very high91.9Very high178 Ų178100.2 Ų100.277%0.77444%0.44SS*.Hα-helixtrans-63-38.7-174.6-68.1-175.3178.5-178.10112.4K99 E104 F105K99-K101 PolarHBondContact O-N 3.36Å; K101-E104 PolarHBondContact O-N 2.92Å; K101-F105 WeakPolarHBondContact O-CB 3.31Å; K101-F105 PolarHBondContact O-N 3.42Å
102E91.9Very high91.7Very high143 Ų14396.1 Ų96.167%0.66843%0.425SS*.Hα-helixtrans-68.4-47.3-177.7-171.2-170.1158.400110.6D100 E104 F105 R106D100-E102 VanDerWaalsContact C-N 3.34Å; D100-E102 PolarHBondContact O-N 3.33Å; D100-E102 PolarHBondContact OD1-N 3.29Å; E102-E104 VanDerWaalsContact C-N 3.28Å; E102-E104 PolarHBondContact O-N 2.61Å; E102-F105 PolarHBondContact O-N 2.91Å; E102-R106 PolarHBondContact O-N 2.95Å
103K90.7Very high91.3Very high63 Ų63101.1 Ų101.127%0.27444%0.443SS..Hα-helixtrans-62.8-38.3174.6-174.3170.6-173.2163.30111.8A95 D100 V107A95-K103 HydrophobicContact CB-CB 4.47Å; A95-K103 HydrophobicContact CB-CG 4.22Å; D100-K103 HydrophobicContact CB-CB 4.12Å; D100-K103 WeakPolarHBondContact OD1-CB 3.5Å; D100-K103 PolarHBondContact OD1-N 3.1Å; D100-K103 VanDerWaalsContact OD1-N 3.1Å; D100-K103 WeakPolarHBondContact OD2-CB 3.26Å; K103-V107 HydrophobicContact CG-CG2 4.49Å; K103-V107 WeakPolarHBondContact O-CB 3.24Å; K103-V107 VanDerWaalsContact O-CG2 3.23Å; K103-V107 WeakPolarHBondContact O-CG2 3.41Å; K103-V107 PolarHBondContact O-N 3.07Å
104E90.5Very high91.1Very high24 Ų2495.5 Ų95.511%0.11242%0.418CS..Hα-helixtrans-61.4-47.3175.7-164.3-172.7169.500111.3L92 A95 R96 D100 K101 E102 V107 R108L92-E104 HydrophobicContact CD1-CG 3.65Å; A95-E104 HydrophobicContact CB-CB 4.03Å; A95-E104 HydrophobicContact CB-CG 4.41Å; R96-E104 VanDerWaalsContact CG-CD 3.49Å; R96-E104 HydrophobicContact CG-CG 4.19Å; R96-E104 WeakPolarHBondContact CG-OE1 3.5Å; R96-E104 IonicContact CZ-OE1 3.52Å; R96-E104 IonicContact NE-OE1 3.64Å; R96-E104 PolarHBondContact NE-OE1 3.15Å; R96-E104 IonicContact NH2-OE1 3.79Å; D100-E104 WeakPolarHBondContact O-CB 3.34Å; D100-E104 PolarHBondContact O-N 3.4Å; K101-E104 PolarHBondContact O-N 2.92Å; E102-E104 VanDerWaalsContact C-N 3.28Å; E102-E104 PolarHBondContact O-N 2.61Å; E104-V107 PolarHBondContact O-N 3.26Å; E104-R108 WeakPolarHBondContact O-CG 3.27Å; E104-R108 PolarHBondContact O-N 2.91Å; E104-R108 IonicContact OE1-CZ 3.3Å; E104-R108 VanDerWaalsContact OE1-CZ 3.3Å; E104-R108 IonicContact OE1-NE 3.84Å; E104-R108 PolarHBondContact OE1-NE 3.42Å; E104-R108 VanDerWaalsContact OE1-NE 3.15Å; E104-R108 IonicContact OE1-NH2 3.48Å; E104-R108 PolarHBondContact OE1-NH2 3.05Å; E104-R108 IonicContact OE2-NH2 2.93Å; E104-R108 PolarHBondContact OE2-NH2 2.92Å
105F92Very high90.9Very high133 Ų13393.7 Ų93.758%0.58342%0.416SS*.Hα-helixtrans-59.3-48.2177.1-179.7-105.3000112K101 E102 V107 R108 I109K101-F105 WeakPolarHBondContact O-CB 3.31Å; K101-F105 PolarHBondContact O-N 3.42Å; E102-F105 PolarHBondContact O-N 2.91Å; F105-V107 VanDerWaalsContact C-N 3.32Å; F105-V107 PolarHBondContact O-N 3.41Å; F105-R108 PolarHBondContact O-N 3.45Å; F105-R108 VanDerWaalsContact O-N 3.15Å; F105-I109 HydrophobicContact CD1-CD1 3.81Å; F105-I109 HydrophobicContact CE1-CD1 3.24Å; F105-I109 HydrophobicContact CE1-CG1 4.35Å; F105-I109 HydrophobicContact CE2-CD1 4.02Å; F105-I109 HydrophobicContact CE2-CG1 4.48Å; F105-I109 HydrophobicContact CG-CD1 4.43Å; F105-I109 HydrophobicContact CZ-CD1 3.38Å; F105-I109 HydrophobicContact CZ-CG1 4.28Å; F105-I109 PolarHBondContact O-N 2.8Å
106R91.5Very high90.8Very high131 Ų13194 Ų9449%0.49442%0.418SS..Hα-helixtrans-59-42.4176.3-178.9173.161.1-140.4-5.7112.3E102 N110E102-R106 PolarHBondContact O-N 2.95Å; R106-N110 WeakPolarHBondContact O-CB 3.46Å; R106-N110 PolarHBondContact O-N 3.29Å
107V91.4Very high90.6Very high18 Ų1890.9 Ų90.911%0.10941%0.409CS..Hα-helixtrans-62.5-49.1176171.50000109.6F88 K91 L92 K103 E104 F105 I109 N110F88-V107 HydrophobicContact CD2-CG1 3.69Å; F88-V107 HydrophobicContact CE2-CG1 3.69Å; F88-V107 WeakPolarHBondContact CE2-O 3.42Å; F88-V107 HydrophobicContact CZ-CG1 4.48Å; K91-V107 HydrophobicContact CB-CG1 4.23Å; K91-V107 HydrophobicContact CB-CG2 4.21Å; L92-V107 HydrophobicContact CB-CG1 4.02Å; L92-V107 HydrophobicContact CD1-CG1 4.15Å; K103-V107 HydrophobicContact CG-CG2 4.49Å; K103-V107 WeakPolarHBondContact O-CB 3.24Å; K103-V107 VanDerWaalsContact O-CG2 3.23Å; K103-V107 WeakPolarHBondContact O-CG2 3.41Å; K103-V107 PolarHBondContact O-N 3.07Å; E104-V107 PolarHBondContact O-N 3.26Å; F105-V107 VanDerWaalsContact C-N 3.32Å; F105-V107 PolarHBondContact O-N 3.41Å; V107-I109 VanDerWaalsContact C-N 3.34Å; V107-I109 PolarHBondContact O-N 2.91Å; V107-N110 CarbonylContact O-C 3.5Å; V107-N110 PolarHBondContact O-N 3.46Å; V107-N110 VanDerWaalsContact O-N 3.14Å
108R90Very high90.4Very high133 Ų13390 Ų9050%0.50241%0.405SS..Hα-helixtrans-58-40.3-179.1-71.6-177.8-156.8174.67113.5L92 E104 F105 K111L92-R108 HydrophobicContact CD1-CG 3.76Å; E104-R108 WeakPolarHBondContact O-CG 3.27Å; E104-R108 PolarHBondContact O-N 2.91Å; E104-R108 IonicContact OE1-CZ 3.3Å; E104-R108 VanDerWaalsContact OE1-CZ 3.3Å; E104-R108 IonicContact OE1-NE 3.84Å; E104-R108 PolarHBondContact OE1-NE 3.42Å; E104-R108 VanDerWaalsContact OE1-NE 3.15Å; E104-R108 IonicContact OE1-NH2 3.48Å; E104-R108 PolarHBondContact OE1-NH2 3.05Å; E104-R108 IonicContact OE2-NH2 2.93Å; E104-R108 PolarHBondContact OE2-NH2 2.92Å; F105-R108 PolarHBondContact O-N 3.45Å; F105-R108 VanDerWaalsContact O-N 3.15Å; R108-K111 WeakPolarHBondContact O-CB 3.35Å
109I90.9Very high90.3Very high107 Ų10782.7 Ų82.755%0.54938%0.377SS..Hα-helixtrans-64.5-45.5176.2-71.3176.4000110.5F105 V107 K111F105-I109 HydrophobicContact CD1-CD1 3.81Å; F105-I109 HydrophobicContact CE1-CD1 3.24Å; F105-I109 HydrophobicContact CE1-CG1 4.35Å; F105-I109 HydrophobicContact CE2-CD1 4.02Å; F105-I109 HydrophobicContact CE2-CG1 4.48Å; F105-I109 HydrophobicContact CG-CD1 4.43Å; F105-I109 HydrophobicContact CZ-CD1 3.38Å; F105-I109 HydrophobicContact CZ-CG1 4.28Å; F105-I109 PolarHBondContact O-N 2.8Å; V107-I109 VanDerWaalsContact C-N 3.34Å; V107-I109 PolarHBondContact O-N 2.91Å; I109-K111 PolarHBondContact O-N 3.28Å
110N89.4Confident90.4Very high114 Ų11475.1 Ų75.161%0.6135%0.345SS*.THydrogen-bonded Turntrans-8234-177.8-65.8-14.4000112.9R106 V107 P112R106-N110 WeakPolarHBondContact O-CB 3.46Å; R106-N110 PolarHBondContact O-N 3.29Å; V107-N110 CarbonylContact O-C 3.5Å; V107-N110 PolarHBondContact O-N 3.46Å; V107-N110 VanDerWaalsContact O-N 3.14Å; N110-P112 WeakPolarHBondContact O-CD 3.39Å
111K88.7Confident90.3Very high38 Ų3876.4 Ų76.417%0.16535%0.348CS..  trans-68123.7177.4-176.3175.3-175175.70109.5F88 R108 I109 R113 G466F88-K111 HydrophobicContact CD2-CB 4.25Å; F88-K111 HydrophobicContact CD2-CG 4.35Å; F88-K111 HydrophobicContact CE1-CD 4.28Å; F88-K111 HydrophobicContact CE1-CG 4.08Å; F88-K111 HydrophobicContact CE2-CB 3.61Å; F88-K111 HydrophobicContact CE2-CG 3.84Å; F88-K111 HydrophobicContact CZ-CB 3.9Å; F88-K111 HydrophobicContact CZ-CD 3.97Å; F88-K111 HydrophobicContact CZ-CG 3.73Å; R108-K111 WeakPolarHBondContact O-CB 3.35Å; I109-K111 PolarHBondContact O-N 3.28Å; K111-R113 PolarHBondContact O-N 2.94Å; K111-G466 WeakPolarHBondContact CE-O 3.34Å; K111-G466 PolarHBondContact NZ-O 2.08Å
112P89.4Confident90.2Very high32 Ų3272.2 Ų72.221%0.20833%0.331CS..  trans-65.1135176.324.3-28.4000109.7K84 L85 F88 N110K84-P112 HydrophobicContact CB-CB 4.16Å; K84-P112 HydrophobicContact CB-CG 4.13Å; L85-P112 HydrophobicContact CD2-CG 3.75Å; L85-P112 WeakPolarHBondContact CD2-O 3.5Å; L85-P112 HydrophobicContact CG-CG 3.9Å; F88-P112 HydrophobicContact CB-CG 4.16Å; N110-P112 WeakPolarHBondContact O-CD 3.39Å
113R84Confident90.2Very high121 Ų12168.4 Ų68.446%0.45731%0.31SS..  trans-119.9150.9177.2-67.2172.4172.9-176.5-8.3108.1K111 D462K111-R113 PolarHBondContact O-N 2.94Å; R113-D462 WeakPolarHBondContact CD-O 3.36Å; R113-D462 IonicContact CZ-OD2 3.4Å; R113-D462 PolarHBondContact NE-O 2.98Å; R113-D462 VanDerWaalsContact NH1-CB 3.33Å; R113-D462 IonicContact NH1-OD2 3.96Å; R113-D462 PolarHBondContact NH1-OD2 2.91Å
114Y88.4Confident90.3Very high14 Ų1467 Ų676%0.05530%0.303CS..  trans-129.9161.2172.866.1-97.4000108.7R36 L78 F82 L85 L116 E225 A465R36-Y114 PolarHBondContact NE-OH 2.82Å; R36-Y114 PolarHBondContact NH2-OH 2.98Å; L78-Y114 HydrophobicContact CD2-CD2 3.57Å; L78-Y114 HydrophobicContact CD2-CE2 4.3Å; L78-Y114 HydrophobicContact CD2-CG 3.8Å; F82-Y114 HydrophobicContact CE1-CD1 4.47Å; F82-Y114 AromaticContact CE1-CE1 3.94Å; F82-Y114 HydrophobicContact CE1-CE1 3.94Å; L85-Y114 HydrophobicContact CD1-CD1 4.28Å; L85-Y114 HydrophobicContact CD1-CE1 4.22Å; Y114-L116 HydrophobicContact CD2-CD2 4.02Å; Y114-L116 HydrophobicContact CE2-CD2 3.71Å; Y114-L116 HydrophobicContact CE2-CG 4.18Å; Y114-E225 PolarHBondContact OH-OE1 2.94Å; Y114-E225 PolarHBondContact OH-OE2 3.26Å; Y114-A465 HydrophobicContact CD1-CB 3.44Å; Y114-A465 VanDerWaalsContact CD1-CB 3.44Å; Y114-A465 HydrophobicContact CD2-CB 3.93Å; Y114-A465 HydrophobicContact CE1-CB 3.4Å; Y114-A465 VanDerWaalsContact CE1-CB 3.4Å; Y114-A465 HydrophobicContact CE2-CB 3.9Å; Y114-A465 HydrophobicContact CG-CB 3.71Å; Y114-A465 WeakPolarHBondContact O-CB 3.43Å
115T88.7Confident90.3Very high67 Ų6768.2 Ų68.241%0.41131%0.314SS..  trans-125.9145.3179.953.10000109.1
116L91.3Very high90.3Very high5 Ų564.7 Ų64.73%0.02630%0.303CS..  trans-96.5-2.1-176.9-60.8177.5000113.8L40 L78 Y114 Q118 I119 V120 E225 F226 T229L40-L116 HydrophobicContact CD1-CD2 3.86Å; L40-L116 HydrophobicContact CD2-CD1 3.7Å; L40-L116 HydrophobicContact CD2-CD2 3.88Å; L40-L116 HydrophobicContact CD2-CG 4.47Å; L40-L116 HydrophobicContact CG-CD2 4.38Å; L78-L116 HydrophobicContact CD1-CD2 4.17Å; Y114-L116 HydrophobicContact CD2-CD2 4.02Å; Y114-L116 HydrophobicContact CE2-CD2 3.71Å; Y114-L116 HydrophobicContact CE2-CG 4.18Å; L116-Q118 VanDerWaalsContact C-N 3.29Å; L116-Q118 PolarHBondContact O-N 3.17Å; L116-I119 HydrophobicContact CD2-CD1 4.06Å; L116-I119 WeakPolarHBondContact O-CB 2.95Å; L116-I119 PolarHBondContact O-N 3.31Å; L116-V120 PolarHBondContact O-N 2.86Å; L116-E225 HydrophobicContact CD1-CG 3.89Å; L116-F226 HydrophobicContact CD1-CB 4.46Å; L116-T229 HydrophobicContact CB-CG2 4.19Å; L116-T229 HydrophobicContact CD1-CG2 4.22Å
117H90.2Very high90.2Very high72 Ų7261.1 Ų61.133%0.33329%0.29SS..Hα-helixtrans-54.2-40.4-174-61.6-64.3000114.1I119 V120 K121H117-I119 VanDerWaalsContact C-N 3.33Å; H117-I119 PolarHBondContact O-N 2.82Å; H117-V120 PolarHBondContact O-N 3.48Å; H117-K121 WeakPolarHBondContact O-CB 3.17Å; H117-K121 PolarHBondContact O-N 3.26Å
118Q90.2Very high90.2Very high108 Ų10865.4 Ų65.451%0.50531%0.308SS..Hα-helixtrans-64.2-40.7178.2-179.957.728.200111.7L116 K121 E122L116-Q118 VanDerWaalsContact C-N 3.29Å; L116-Q118 PolarHBondContact O-N 3.17Å; Q118-K121 PolarHBondContact O-N 3.48Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.01Å; Q118-E122 PolarHBondContact NE2-OE1 2.61Å; Q118-E122 WeakPolarHBondContact O-CG 3.37Å; Q118-E122 PolarHBondContact O-N 3.49Å
119I92Very high90.3Very high3 Ų361.7 Ų61.72%0.01530%0.299CS..Hα-helixtrans-69.2-40.2179.5-62.8178000110.9L40 K41 E76 L78 L116 H117 K121 E122 R123 F226L40-I119 WeakPolarHBondContact O-CG2 3.5Å; K41-I119 HydrophobicContact CD-CG2 4.3Å; E76-I119 WeakPolarHBondContact OE1-CD1 3.27Å; L78-I119 HydrophobicContact CD1-CD1 3.26Å; L78-I119 HydrophobicContact CG-CD1 3.91Å; L116-I119 HydrophobicContact CD2-CD1 4.06Å; L116-I119 WeakPolarHBondContact O-CB 2.95Å; L116-I119 PolarHBondContact O-N 3.31Å; H117-I119 VanDerWaalsContact C-N 3.33Å; H117-I119 PolarHBondContact O-N 2.82Å; I119-K121 VanDerWaalsContact C-N 3.33Å; I119-E122 PolarHBondContact O-N 3.03Å; I119-R123 PolarHBondContact O-N 3.26Å; I119-F226 HydrophobicContact CG2-CE2 4.16Å
120V92.1Very high90.4Very high9 Ų956.7 Ų56.76%0.05527%0.273CS..Hα-helixtrans-59-47.4174.3171.40000110.2L116 H117 E122 R123 Y124 F226 L230L116-V120 PolarHBondContact O-N 2.86Å; H117-V120 PolarHBondContact O-N 3.48Å; V120-E122 VanDerWaalsContact C-N 3.35Å; V120-E122 PolarHBondContact O-N 3.35Å; V120-R123 PolarHBondContact O-N 2.93Å; V120-Y124 PolarHBondContact O-N 3Å; V120-F226 HydrophobicContact CG2-CD2 4.22Å; V120-F226 HydrophobicContact CG2-CE2 3.69Å; V120-F226 HydrophobicContact CG2-CZ 4.23Å; V120-L230 HydrophobicContact CG1-CB 4.48Å; V120-L230 HydrophobicContact CG1-CD1 3.69Å
121K90.9Very high90.5Very high92 Ų9251.3 Ų51.340%0.425%0.245SC..Hα-helixtrans-65.5-33.5178.5-178.8170.2167.3167.10113.4H117 Q118 I119 Y124 F449H117-K121 WeakPolarHBondContact O-CB 3.17Å; H117-K121 PolarHBondContact O-N 3.26Å; Q118-K121 PolarHBondContact O-N 3.48Å; I119-K121 VanDerWaalsContact C-N 3.33Å; K121-Y124 CarbonylContact O-C 3.58Å; K121-F449 HydrophobicContact CD-CB 3.86Å; K121-F449 HydrophobicContact CD-CG 4.47Å; K121-F449 VanDerWaalsContact CE-CB 3.46Å; K121-F449 HydrophobicContact CG-CB 4.09Å; K121-F449 HydrophobicContact CG-CG 4.49Å; K121-F449 PolarHBondContact NZ-O 3.16Å
122E91Very high90.6Very high89 Ų8957.2 Ų57.242%0.41627%0.266SS..Hα-helixtrans-69.9-38175.5-77.4169.1-165.300112.8K41 Q118 I119 V120K41-E122 IonicContact NZ-OE2 3.69Å; K41-E122 PolarHBondContact NZ-OE2 3.18Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.01Å; Q118-E122 PolarHBondContact NE2-OE1 2.61Å; Q118-E122 WeakPolarHBondContact O-CG 3.37Å; Q118-E122 PolarHBondContact O-N 3.49Å; I119-E122 PolarHBondContact O-N 3.03Å; V120-E122 VanDerWaalsContact C-N 3.35Å; V120-E122 PolarHBondContact O-N 3.35Å
123R90.9Very high90.6Very high63 Ų6357 Ų5724%0.23826%0.263CS..Hα-helixtrans-77.2-40.9178-76.1-176.4175.2-152.628.1113.2I39 L40 K41 G42 I119 V120 P125 F226I39-R123 PolarHBondContact O-NH2 2.89Å; L40-R123 PolarHBondContact O-NE 3.16Å; L40-R123 PolarHBondContact O-NH2 2.99Å; K41-R123 VanDerWaalsContact C-NE 3.34Å; K41-R123 PolarHBondContact O-NE 3.18Å; K41-R123 VanDerWaalsContact O-NE 3.15Å; G42-R123 VanDerWaalsContact CA-CZ 3.43Å; G42-R123 VanDerWaalsContact CA-NH2 3.28Å; G42-R123 VanDerWaalsContact N-CZ 3.31Å; I119-R123 PolarHBondContact O-N 3.26Å; V120-R123 PolarHBondContact O-N 2.93Å; R123-P125 VanDerWaalsContact O-CD 3.32Å; R123-P125 WeakPolarHBondContact O-CD 3.4Å; R123-F226 VanDerWaalsContact CD-CZ 3.47Å
124Y92.2Very high91.1Very high33 Ų3351.3 Ų51.313%0.12924%0.241CC..  trans-120.680.7-175.4-61.6-70.5000108.7V120 K121 T126 D129 A130 D133 F226 L230V120-Y124 PolarHBondContact O-N 3Å; K121-Y124 CarbonylContact O-C 3.58Å; Y124-T126 PolarHBondContact O-N 3.22Å; Y124-D129 HydrophobicContact CD1-CB 4.2Å; Y124-A130 HydrophobicContact CD1-CB 4.22Å; Y124-A130 HydrophobicContact CG-CB 4.1Å; Y124-D133 HydrophobicContact CE1-CB 3.94Å; Y124-D133 WeakPolarHBondContact CE1-OD2 3.34Å; Y124-D133 PolarHBondContact OH-OD2 3.13Å; Y124-F226 HydrophobicContact CD2-CZ 4.37Å; Y124-F226 HydrophobicContact CE2-CE1 4.09Å; Y124-F226 AromaticContact CE2-CZ 3.9Å; Y124-F226 HydrophobicContact CE2-CZ 3.9Å; Y124-L230 HydrophobicContact CD2-CD1 3.66Å; Y124-L230 HydrophobicContact CD2-CD2 4.38Å; Y124-L230 HydrophobicContact CE2-CD1 4.09Å; Y124-L230 HydrophobicContact CE2-CD2 3.96Å; Y124-L230 HydrophobicContact CG-CD1 4.28Å
125P91.2Very high91.3Very high50 Ų5052 Ų5233%0.32525%0.249SC..SBendtrans-69.4-24.1-178.128.6-35.1000112R123 F449R123-P125 VanDerWaalsContact O-CD 3.32Å; R123-P125 WeakPolarHBondContact O-CD 3.4Å; P125-F449 WeakPolarHBondContact O-CD2 3.39Å
126T91.1Very high91.4Very high60 Ų6054 Ų5437%0.36826%0.257SS..SBendtrans-118.6154.2175.280.10000111.4Y124 Q128 D129 A130Y124-T126 PolarHBondContact O-N 3.22Å; T126-Q128 VanDerWaalsContact C-N 3.3Å; T126-Q128 PolarHBondContact O-N 2.92Å; T126-D129 PolarHBondContact O-N 2.93Å; T126-D129 PolarHBondContact OG1-N 3.17Å; T126-D129 VanDerWaalsContact OG1-N 3.15Å; T126-D129 PolarHBondContact OG1-OD2 3.11Å; T126-A130 PolarHBondContact O-N 3.33Å
127R89.9Confident91.5Very high56 Ų5654 Ų5421%0.21126%0.257CS..Hα-helixtrans-61.8-39173.4170.8176.962.3152.9-6.6112D129 A130 L131 D195 L234 H237 I241R127-D129 VanDerWaalsContact C-N 3.33Å; R127-D129 PolarHBondContact O-N 2.94Å; R127-A130 WeakPolarHBondContact O-CB 3.37Å; R127-A130 PolarHBondContact O-N 3.27Å; R127-L131 HydrophobicContact CG-CD1 3.88Å; R127-L131 HydrophobicContact CG-CG 4.16Å; R127-L131 WeakPolarHBondContact O-CG 3.38Å; R127-L131 PolarHBondContact O-N 3.46Å; R127-D195 IonicContact CZ-OD1 2.81Å; R127-D195 IonicContact CZ-OD2 2.89Å; R127-D195 IonicContact NE-OD2 2.84Å; R127-D195 IonicContact NH1-OD1 2.75Å; R127-D195 PolarHBondContact NH1-OD1 3Å; R127-D195 IonicContact NH1-OD2 2.73Å; R127-D195 PolarHBondContact NH1-OD2 3.28Å; R127-D195 IonicContact NH2-OD1 2.7Å; R127-D195 IonicContact NH2-OD2 3.57Å; R127-L234 HydrophobicContact CG-CD2 4.38Å; R127-H237 VanDerWaalsContact CD-CD2 3.42Å; R127-H237 WeakPolarHBondContact CD-CD2 3.29Å; R127-I241 VanDerWaalsContact CZ-CD1 3.44Å
128Q91.5Very high91.7Very high107 Ų10750.6 Ų50.650%0.524%0.241SC..Hα-helixtrans-64.5-40.6-178-69.1-178.8-5.600110.9T126 A130 L131 R132 I197T126-Q128 VanDerWaalsContact C-N 3.3Å; T126-Q128 PolarHBondContact O-N 2.92Å; Q128-A130 VanDerWaalsContact C-N 3.28Å; Q128-A130 PolarHBondContact O-N 2.83Å; Q128-L131 PolarHBondContact O-N 2.61Å; Q128-R132 WeakPolarHBondContact O-CG 3.42Å; Q128-R132 PolarHBondContact O-N 3.35Å; Q128-I197 HydrophobicContact CB-CD1 4.14Å; Q128-I197 HydrophobicContact CG-CD1 4.34Å
129D91.7Very high91.9Very high55 Ų5547.4 Ų47.429%0.29423%0.228SC..Hα-helixtrans-60.8-40.9175-60.5-34.5000111.2Y124 T126 R127 R132Y124-D129 HydrophobicContact CD1-CB 4.2Å; T126-D129 PolarHBondContact O-N 2.93Å; T126-D129 PolarHBondContact OG1-N 3.17Å; T126-D129 VanDerWaalsContact OG1-N 3.15Å; T126-D129 PolarHBondContact OG1-OD2 3.11Å; R127-D129 VanDerWaalsContact C-N 3.33Å; R127-D129 PolarHBondContact O-N 2.94Å; D129-R132 PolarHBondContact O-N 3.19Å
130A93.3Very high91.9Very high2 Ų248.4 Ų48.42%0.01723%0.233CC..Hα-helixtrans-67-40.6177.200000112.7Y124 T126 R127 Q128 R132 D133 I134 L230 L234Y124-A130 HydrophobicContact CD1-CB 4.22Å; Y124-A130 HydrophobicContact CG-CB 4.1Å; T126-A130 PolarHBondContact O-N 3.33Å; R127-A130 WeakPolarHBondContact O-CB 3.37Å; R127-A130 PolarHBondContact O-N 3.27Å; Q128-A130 VanDerWaalsContact C-N 3.28Å; Q128-A130 PolarHBondContact O-N 2.83Å; A130-R132 VanDerWaalsContact C-N 3.33Å; A130-R132 PolarHBondContact O-N 3.14Å; A130-D133 PolarHBondContact O-N 2.92Å; A130-I134 PolarHBondContact O-N 3.06Å; A130-I134 VanDerWaalsContact O-N 3.09Å; A130-L230 HydrophobicContact CB-CD1 4.17Å; A130-L234 HydrophobicContact CB-CD1 3.78Å; A130-L234 HydrophobicContact CB-CD2 3.53Å; A130-L234 HydrophobicContact CB-CG 4.15Å
131L92.1Very high92Very high2 Ų248 Ų481%0.0123%0.23CC..Hα-helixtrans-67.3-31178.2-76.2174.8000112.8R127 Q128 D133 I134 I194 D195 I197 L238R127-L131 HydrophobicContact CG-CD1 3.88Å; R127-L131 HydrophobicContact CG-CG 4.16Å; R127-L131 WeakPolarHBondContact O-CG 3.38Å; R127-L131 PolarHBondContact O-N 3.46Å; Q128-L131 PolarHBondContact O-N 2.61Å; L131-D133 PolarHBondContact O-N 2.85Å; L131-I134 HydrophobicContact CD2-CD1 4.3Å; L131-I134 WeakPolarHBondContact O-CG2 3.36Å; L131-I194 HydrophobicContact CD1-CG2 4.35Å; L131-I194 HydrophobicContact CD2-CG2 4.11Å; L131-D195 HydrophobicContact CD1-CB 4.08Å; L131-D195 WeakPolarHBondContact CD1-OD2 3.33Å; L131-I197 HydrophobicContact CB-CD1 3.76Å; L131-I197 HydrophobicContact CD1-CD1 4.25Å; L131-L238 HydrophobicContact CD2-CD1 4.31Å
132R90.6Very high92.2Very high162 Ų16243.8 Ų43.861%0.61121%0.212SC*.Hα-helixtrans-64.5-30.3174.9-72.9174.6-176.81801.5112.7Q128 D129 A130 I197Q128-R132 WeakPolarHBondContact O-CG 3.42Å; Q128-R132 PolarHBondContact O-N 3.35Å; D129-R132 PolarHBondContact O-N 3.19Å; A130-R132 VanDerWaalsContact C-N 3.33Å; A130-R132 PolarHBondContact O-N 3.14Å; R132-I197 HydrophobicContact CG-CD1 4.31Å
133D90.4Very high92.2Very high28 Ų2843.3 Ų43.315%0.1521%0.212CC..Hα-helixtrans-100.4-9.5-176.4-75.22.6000114Y124 A130 L131 S135 D136 R439Y124-D133 HydrophobicContact CE1-CB 3.94Å; Y124-D133 WeakPolarHBondContact CE1-OD2 3.34Å; Y124-D133 PolarHBondContact OH-OD2 3.13Å; A130-D133 PolarHBondContact O-N 2.92Å; L131-D133 PolarHBondContact O-N 2.85Å; D133-S135 PolarHBondContact O-N 3.49Å; D133-S135 VanDerWaalsContact O-N 3.08Å; D133-D136 PolarHBondContact O-N 2.89Å; D133-R439 IonicContact OD1-CZ 3.06Å; D133-R439 VanDerWaalsContact OD1-CZ 3.23Å; D133-R439 IonicContact OD1-NH1 3.43Å; D133-R439 PolarHBondContact OD1-NH1 3.09Å; D133-R439 IonicContact OD1-NH2 2.74Å; D133-R439 PolarHBondContact OD1-NH2 2.86Å; D133-R439 IonicContact OD2-CZ 2.67Å; D133-R439 IonicContact OD2-NH1 2.92Å; D133-R439 PolarHBondContact OD2-NH1 3.29Å
134I92.6Very high92.1Very high0 Ų040.3 Ų40.30%020%0.201CC..Hα-helixtrans-61.9-23.7-172.5-155.3-179.8000113A130 L131 D136 S137 L138 V199 I231 L234 M235A130-I134 PolarHBondContact O-N 3.06Å; A130-I134 VanDerWaalsContact O-N 3.09Å; L131-I134 HydrophobicContact CD2-CD1 4.3Å; L131-I134 WeakPolarHBondContact O-CG2 3.36Å; I134-D136 PolarHBondContact O-N 3.03Å; I134-S137 PolarHBondContact O-N 3.42Å; I134-L138 HydrophobicContact CD1-CD1 4.41Å; I134-L138 HydrophobicContact CG1-CD1 4.15Å; I134-L138 HydrophobicContact CG1-CG 4.13Å; I134-L138 HydrophobicContact CG2-CD1 4.12Å; I134-L138 WeakPolarHBondContact O-CB 3.46Å; I134-L138 VanDerWaalsContact O-CG 3.24Å; I134-L138 WeakPolarHBondContact O-CG 3.18Å; I134-L138 PolarHBondContact O-N 3.14Å; I134-V199 HydrophobicContact CG2-CB 4.3Å; I134-V199 HydrophobicContact CG2-CG1 3.49Å; I134-V199 VanDerWaalsContact CG2-CG1 3.49Å; I134-V199 HydrophobicContact CG2-CG2 3.74Å; I134-I231 HydrophobicContact CD1-CG1 4.44Å; I134-I231 HydrophobicContact CG1-CG1 4.09Å; I134-L234 HydrophobicContact CD1-CD1 3.8Å; I134-L234 HydrophobicContact CG1-CD1 4.18Å; I134-M235 HydrophobicContact CD1-CE 4.21Å
135S93Very high92Very high30 Ų3040 Ų4021%0.2120%0.2CC..Hα-helixtrans-56.6-47.8179.7174.80000112.3D133 L138 N139 V200D133-S135 PolarHBondContact O-N 3.49Å; D133-S135 VanDerWaalsContact O-N 3.08Å; S135-L138 PolarHBondContact O-N 3.06Å; S135-N139 VanDerWaalsContact O-CG 3.22Å; S135-N139 PolarHBondContact O-N 2.89Å; S135-N139 PolarHBondContact O-ND2 3Å; S135-N139 VanDerWaalsContact O-ND2 3.12Å; S135-V200 WeakPolarHBondContact CB-O 3.4Å; S135-V200 PolarHBondContact OG-O 3.39Å
136D91.1Very high91.8Very high108 Ų10840.7 Ų40.758%0.57820%0.198SC*.Hα-helixtrans-66-45.9179.7-172.749.6000111.1D133 I134 L138 N139 L140D133-D136 PolarHBondContact O-N 2.89Å; I134-D136 PolarHBondContact O-N 3.03Å; D136-L138 VanDerWaalsContact C-N 3.31Å; D136-L138 PolarHBondContact O-N 3.21Å; D136-N139 PolarHBondContact O-N 3.38Å; D136-L140 PolarHBondContact O-N 3.33Å
137S93.4Very high91.6Very high4 Ų438.8 Ų38.83%0.02819%0.186CC..Hα-helixtrans-59.1-40.1175.8-59.40000112.3I134 L141 D227I134-S137 PolarHBondContact O-N 3.42Å; S137-L141 VanDerWaalsContact O-CB 3.29Å; S137-L141 WeakPolarHBondContact O-CB 3.47Å; S137-L141 PolarHBondContact O-N 3.44Å; S137-L141 VanDerWaalsContact O-N 3.09Å; S137-D227 WeakPolarHBondContact CB-OD1 3.17Å; S137-D227 PolarHBondContact OG-OD1 2.96Å
138L94.7Very high91.4Very high1 Ų139 Ų391%0.00519%0.194CC..Hα-helixtrans-67.2-44.8177-75.8168.4000111.4I134 S135 D136 L140 L141 F142 F168 V199 W201 I231I134-L138 HydrophobicContact CD1-CD1 4.41Å; I134-L138 HydrophobicContact CG1-CD1 4.15Å; I134-L138 HydrophobicContact CG1-CG 4.13Å; I134-L138 HydrophobicContact CG2-CD1 4.12Å; I134-L138 WeakPolarHBondContact O-CB 3.46Å; I134-L138 VanDerWaalsContact O-CG 3.24Å; I134-L138 WeakPolarHBondContact O-CG 3.18Å; I134-L138 PolarHBondContact O-N 3.14Å; S135-L138 PolarHBondContact O-N 3.06Å; D136-L138 VanDerWaalsContact C-N 3.31Å; D136-L138 PolarHBondContact O-N 3.21Å; L138-L140 VanDerWaalsContact C-N 3.3Å; L138-L140 PolarHBondContact O-N 3.41Å; L138-L141 PolarHBondContact O-N 3.25Å; L138-L141 VanDerWaalsContact O-N 3.08Å; L138-F142 HydrophobicContact CB-CD2 4.44Å; L138-F142 HydrophobicContact CD2-CE2 4.34Å; L138-F142 VanDerWaalsContact O-CD2 3.26Å; L138-F142 WeakPolarHBondContact O-CD2 3.21Å; L138-F142 PolarHBondContact O-N 2.96Å; L138-F168 HydrophobicContact CD1-CD1 4.49Å; L138-F168 HydrophobicContact CD1-CE1 3.8Å; L138-F168 HydrophobicContact CD1-CE2 3.95Å; L138-F168 HydrophobicContact CD1-CZ 3.48Å; L138-F168 VanDerWaalsContact CD1-CZ 3.48Å; L138-F168 HydrophobicContact CD2-CD1 3.82Å; L138-F168 HydrophobicContact CD2-CD2 4.13Å; L138-F168 HydrophobicContact CD2-CE1 3.96Å; L138-F168 HydrophobicContact CD2-CE2 4.26Å; L138-F168 HydrophobicContact CD2-CG 3.91Å; L138-F168 HydrophobicContact CD2-CZ 4.18Å; L138-V199 HydrophobicContact CD1-CG1 3.69Å; L138-W201 HydrophobicContact CB-CB 4.05Å; L138-W201 HydrophobicContact CD1-CB 4.49Å; L138-W201 HydrophobicContact CD1-CE3 4.47Å; L138-I231 HydrophobicContact CD2-CD1 3.93Å; L138-I231 HydrophobicContact CG-CD1 4.21Å
139N94.1Very high91.1Very high42 Ų4242.4 Ų42.423%0.22521%0.208CC..Hα-helixtrans-58.1-44.1178-70.4-32.4000111.4S135 D136 L141 L143 W201 I202S135-N139 VanDerWaalsContact O-CG 3.22Å; S135-N139 PolarHBondContact O-N 2.89Å; S135-N139 PolarHBondContact O-ND2 3Å; S135-N139 VanDerWaalsContact O-ND2 3.12Å; D136-N139 PolarHBondContact O-N 3.38Å; N139-L141 VanDerWaalsContact C-N 3.31Å; N139-L141 PolarHBondContact O-N 2.98Å; N139-L143 WeakPolarHBondContact O-CB 3.35Å; N139-L143 PolarHBondContact O-N 2.83Å; N139-W201 VanDerWaalsContact OD1-CA 3.31Å; N139-W201 WeakPolarHBondContact OD1-CA 3.41Å; N139-I202 PolarHBondContact OD1-N 2.63Å
140L92.8Very high90.7Very high23 Ų2341.6 Ų41.612%0.1220%0.203CC..Hα-helixtrans-63.5-39.9176-168.565.6000111.6D136 L138 L143 F144 L220 C223 L224 D227D136-L140 PolarHBondContact O-N 3.33Å; L138-L140 VanDerWaalsContact C-N 3.3Å; L138-L140 PolarHBondContact O-N 3.41Å; L140-L143 PolarHBondContact O-N 2.79Å; L140-F144 HydrophobicContact CD1-CD2 3.94Å; L140-F144 HydrophobicContact CD1-CE2 3.66Å; L140-F144 HydrophobicContact CG-CD2 4.05Å; L140-F144 HydrophobicContact CG-CE2 4.06Å; L140-F144 VanDerWaalsContact O-CD2 3.31Å; L140-F144 WeakPolarHBondContact O-CD2 3.42Å; L140-F144 PolarHBondContact O-N 3.25Å; L140-L220 HydrophobicContact CD1-CD2 4.23Å; L140-C223 HydrophobicContact CD2-CB 3.72Å; L140-L224 HydrophobicContact CD2-CB 3.97Å; L140-L224 HydrophobicContact CG-CB 4.49Å; L140-L224 HydrophobicContact CG-CD1 4.36Å; L140-D227 VanDerWaalsContact CD2-OD2 3.26Å; L140-D227 WeakPolarHBondContact CD2-OD2 3.41Å
141L93.9Very high90.1Very high1 Ų147 Ų471%0.00524%0.236CC..Hα-helixtrans-68.3-45-177.9-162.9156.2000111.9S137 L138 N139 L143 F144 E145 S161 L164 C165 L224 I231S137-L141 VanDerWaalsContact O-CB 3.29Å; S137-L141 WeakPolarHBondContact O-CB 3.47Å; S137-L141 PolarHBondContact O-N 3.44Å; S137-L141 VanDerWaalsContact O-N 3.09Å; L138-L141 PolarHBondContact O-N 3.25Å; L138-L141 VanDerWaalsContact O-N 3.08Å; N139-L141 VanDerWaalsContact C-N 3.31Å; N139-L141 PolarHBondContact O-N 2.98Å; L141-L143 VanDerWaalsContact C-N 3.35Å; L141-L143 PolarHBondContact O-N 3.35Å; L141-F144 PolarHBondContact O-N 3.17Å; L141-E145 PolarHBondContact O-N 2.89Å; L141-E145 VanDerWaalsContact O-N 3.08Å; L141-S161 WeakPolarHBondContact CD2-O 3.43Å; L141-L164 HydrophobicContact CD1-CB 3.73Å; L141-L164 HydrophobicContact CD1-CD1 3.85Å; L141-L164 HydrophobicContact CD1-CG 4.47Å; L141-L164 HydrophobicContact CD2-CB 4.14Å; L141-C165 HydrophobicContact CD2-CB 4.11Å; L141-C165 WeakPolarHBondContact CD2-SG 3.3Å; L141-L224 HydrophobicContact CB-CD1 4.28Å; L141-L224 HydrophobicContact CG-CD1 4.39Å; L141-I231 HydrophobicContact CB-CD1 4.43Å; L141-I231 HydrophobicContact CD1-CB 4.48Å; L141-I231 HydrophobicContact CD1-CD1 3.55Å; L141-I231 HydrophobicContact CD1-CG2 4.41Å
142F93.8Very high89.6Confident3 Ų349.9 Ų49.91%0.01325%0.25CC..Hα-helixtrans-64.7-35.6173.6-82.5-72.2000112.7L138 E145 C165 F168 L169 W201 M203L138-F142 HydrophobicContact CB-CD2 4.44Å; L138-F142 HydrophobicContact CD2-CE2 4.34Å; L138-F142 VanDerWaalsContact O-CD2 3.26Å; L138-F142 WeakPolarHBondContact O-CD2 3.21Å; L138-F142 PolarHBondContact O-N 2.96Å; F142-E145 WeakPolarHBondContact O-CB 3.46Å; F142-E145 PolarHBondContact O-N 2.83Å; F142-C165 HydrophobicContact CD1-CB 4.35Å; F142-C165 WeakPolarHBondContact CD1-SG 3.28Å; F142-C165 HydrophobicContact CE1-CB 3.92Å; F142-C165 VanDerWaalsContact CE1-SG 3.51Å; F142-C165 HydrophobicContact CZ-CB 4.33Å; F142-F168 HydrophobicContact CE2-CD1 4.29Å; F142-F168 HydrophobicContact CZ-CD1 4.33Å; F142-L169 HydrophobicContact CE1-CD1 4.24Å; F142-L169 HydrophobicContact CE1-CD2 4.38Å; F142-L169 HydrophobicContact CE1-CG 4.39Å; F142-L169 HydrophobicContact CZ-CD1 4.47Å; F142-L169 HydrophobicContact CZ-CD2 3.89Å; F142-L169 HydrophobicContact CZ-CG 4.12Å; F142-W201 AromaticContact CD2-CD1 3.65Å; F142-W201 HydrophobicContact CD2-CG 4.34Å; F142-W201 AromaticContact CE2-CD1 3.28Å; F142-W201 AromaticContact CE2-CG 3.99Å; F142-W201 HydrophobicContact CE2-CG 3.99Å; F142-W201 AromaticContact CE2-NE1 3.6Å; F142-W201 AromaticContact CZ-CD1 3.89Å; F142-W201 AromaticContact CZ-NE1 3.77Å; F142-M203 HydrophobicContact CD1-CG 4.16Å; F142-M203 HydrophobicContact CE1-CG 4.01Å; F142-M203 HydrophobicContact CZ-CG 4.35Å
143L90.9Very high89.1Confident79 Ų7942.5 Ų42.541%0.41422%0.222SC..Hα-helixtrans-62.3-50.3173.5-179.965.4000111N139 L140 L141 E145 K146 L147N139-L143 WeakPolarHBondContact O-CB 3.35Å; N139-L143 PolarHBondContact O-N 2.83Å; L140-L143 PolarHBondContact O-N 2.79Å; L141-L143 VanDerWaalsContact C-N 3.35Å; L141-L143 PolarHBondContact O-N 3.35Å; L143-E145 VanDerWaalsContact C-N 3.26Å; L143-E145 PolarHBondContact O-N 3.43Å; L143-K146 PolarHBondContact O-N 3.48Å; L143-L147 WeakPolarHBondContact O-CG 3.22Å; L143-L147 PolarHBondContact O-N 3.29Å
144F90.1Very high88.7Confident0 Ų043.6 Ų43.60%023%0.226CC..Hα-helixtrans-67-24.1-178.4-92.1-101.2000114.2L140 L141 K146 L147 F153 L220 L224L140-F144 HydrophobicContact CD1-CD2 3.94Å; L140-F144 HydrophobicContact CD1-CE2 3.66Å; L140-F144 HydrophobicContact CG-CD2 4.05Å; L140-F144 HydrophobicContact CG-CE2 4.06Å; L140-F144 VanDerWaalsContact O-CD2 3.31Å; L140-F144 WeakPolarHBondContact O-CD2 3.42Å; L140-F144 PolarHBondContact O-N 3.25Å; L141-F144 PolarHBondContact O-N 3.17Å; F144-K146 VanDerWaalsContact C-N 3.34Å; F144-L147 HydrophobicContact CD1-CD1 4.05Å; F144-L147 HydrophobicContact CD2-CD1 4.22Å; F144-L147 HydrophobicContact CE1-CD1 4.3Å; F144-L147 HydrophobicContact CE2-CD1 4.45Å; F144-L147 HydrophobicContact CG-CD1 4.04Å; F144-F153 HydrophobicContact CD1-CE1 4.4Å; F144-F153 HydrophobicContact CD1-CZ 4.22Å; F144-F153 HydrophobicContact CE1-CD1 4.06Å; F144-F153 AromaticContact CE1-CE1 3.83Å; F144-F153 HydrophobicContact CE1-CE1 3.83Å; F144-F153 HydrophobicContact CE1-CG 4.48Å; F144-F153 HydrophobicContact CE1-CZ 4.1Å; F144-L220 HydrophobicContact CE2-CB 3.87Å; F144-L220 HydrophobicContact CZ-CB 3.69Å; F144-L224 HydrophobicContact CB-CD1 4.4Å; F144-L224 HydrophobicContact CB-CD2 3.81Å; F144-L224 HydrophobicContact CD1-CD2 3.42Å; F144-L224 VanDerWaalsContact CD1-CD2 3.42Å; F144-L224 HydrophobicContact CD2-CD1 4.46Å; F144-L224 HydrophobicContact CD2-CD2 3.99Å; F144-L224 HydrophobicContact CE1-CD2 3.85Å; F144-L224 HydrophobicContact CE2-CD2 4.38Å; F144-L224 HydrophobicContact CG-CD1 4.46Å; F144-L224 HydrophobicContact CG-CD2 3.48Å; F144-L224 VanDerWaalsContact CG-CD2 3.48Å; F144-L224 HydrophobicContact CG-CG 4.47Å; F144-L224 HydrophobicContact CZ-CD2 4.3Å
145E89.7Confident88.4Confident27 Ų2746.4 Ų46.413%0.12624%0.244CC..Hα-helixtrans-60.4-43.3172.1-173.3-159.4141.600111.8L141 F142 L143 R162 C165L141-E145 PolarHBondContact O-N 2.89Å; L141-E145 VanDerWaalsContact O-N 3.08Å; F142-E145 WeakPolarHBondContact O-CB 3.46Å; F142-E145 PolarHBondContact O-N 2.83Å; L143-E145 VanDerWaalsContact C-N 3.26Å; L143-E145 PolarHBondContact O-N 3.43Å; E145-R162 HydrophobicContact CG-CB 3.99Å; E145-R162 HydrophobicContact CG-CG 3.9Å; E145-C165 WeakPolarHBondContact OE2-CB 3.32Å; E145-C165 PolarHBondContact OE2-SG 2.83Å
146K87.7Confident88.1Confident65 Ų6546.4 Ų46.428%0.28324%0.244SC..Hα-helixtrans-87.9-11-176-54.5-54.2-171.5-162.50113.2L143 F144 P204 E335L143-K146 PolarHBondContact O-N 3.48Å; F144-K146 VanDerWaalsContact C-N 3.34Å; K146-P204 HydrophobicContact CG-CB 4.4Å; K146-E335 IonicContact NZ-OE1 2.78Å; K146-E335 PolarHBondContact NZ-OE1 3.38Å; K146-E335 IonicContact NZ-OE2 3.3Å; K146-E335 PolarHBondContact NZ-OE2 3.04Å
147L85.5Confident88Confident19 Ų1941.4 Ų41.410%0.09922%0.217CC..SBendtrans-67142.3177.5-74.7178.5000112.3L143 F144 T211 Y217L143-L147 WeakPolarHBondContact O-CG 3.22Å; L143-L147 PolarHBondContact O-N 3.29Å; F144-L147 HydrophobicContact CD1-CD1 4.05Å; F144-L147 HydrophobicContact CD2-CD1 4.22Å; F144-L147 HydrophobicContact CE1-CD1 4.3Å; F144-L147 HydrophobicContact CE2-CD1 4.45Å; F144-L147 HydrophobicContact CG-CD1 4.04Å; L147-T211 HydrophobicContact CD2-CG2 4.25Å; L147-Y217 HydrophobicContact CD1-CD1 4.39Å; L147-Y217 HydrophobicContact CD1-CE1 4.24Å
148P86.1Confident87.8Confident61 Ų6142.2 Ų42.240%0.39622%0.221SC..  trans-67.7163.3172.430.2-35.2000111.4L150 T211P148-L150 HydrophobicContact CG-CD2 4.48Å; P148-L150 PolarHBondContact O-N 3.17Å; P148-T211 HydrophobicContact CG-CG2 3.42Å; P148-T211 VanDerWaalsContact CG-CG2 3.42Å
149K84.8Confident87.6Confident178 Ų17846 Ų4677%0.77425%0.248SC*.  trans-67.4100.2176.6-66.1176.2-176.21710110.3P155 I158K149-P155 HydrophobicContact CD-CB 4.45Å; K149-P155 HydrophobicContact CG-CB 4.43Å; K149-I158 HydrophobicContact CG-CD1 4.17Å
150L83.1Confident87.4Confident39 Ų3944.5 Ų44.520%0.20424%0.24CC..  trans-89.7161.2176.6-64.8175.7000112.2P148 F153 T211 Y217P148-L150 HydrophobicContact CG-CD2 4.48Å; P148-L150 PolarHBondContact O-N 3.17Å; L150-F153 HydrophobicContact CB-CD1 4.37Å; L150-F153 HydrophobicContact CB-CE1 3.77Å; L150-F153 HydrophobicContact CB-CZ 3.99Å; L150-F153 HydrophobicContact CD1-CE1 3.88Å; L150-F153 HydrophobicContact CD1-CZ 4.39Å; L150-F153 HydrophobicContact CG-CE1 4.24Å; L150-F153 HydrophobicContact CG-CZ 4.39Å; L150-T211 HydrophobicContact CD1-CG2 4.3Å; L150-T211 HydrophobicContact CD2-CG2 4.31Å; L150-Y217 HydrophobicContact CD1-CD1 3.94Å; L150-Y217 HydrophobicContact CD1-CD2 4.15Å; L150-Y217 HydrophobicContact CD1-CE1 3.88Å; L150-Y217 HydrophobicContact CD1-CE2 4.11Å; L150-Y217 HydrophobicContact CD1-CG 4.07Å
151T81.8Confident87.4Confident114 Ų11443.5 Ų43.570%0.69923%0.234SC*.SBendtrans-82.4-17.9179.156.60000113.6F153T151-F153 VanDerWaalsContact C-N 3.33Å; T151-F153 PolarHBondContact O-N 2.88Å
152Q81Confident87.3Confident64 Ų6447.6 Ų47.630%0.29925%0.25SC..SBendtrans-76.9-17.5-173.1-59.2-170.59.900113.8Y217 R218 A471Q152-Y217 VanDerWaalsContact OE1-CB 3.25Å; Q152-Y217 VanDerWaalsContact OE1-CD2 3.3Å; Q152-R218 HydrophobicContact CB-CG 4.34Å; Q152-A471 VanDerWaalsContact O-CB 3.29Å; Q152-A471 WeakPolarHBondContact O-CB 3.34Å
153F81.3Confident87.2Confident7 Ų749.4 Ų49.43%0.03126%0.257CS..SBendtrans-140.7169.8176.461-102.8000110.1F144 L150 T151 L157 I158 A221F144-F153 HydrophobicContact CD1-CE1 4.4Å; F144-F153 HydrophobicContact CD1-CZ 4.22Å; F144-F153 HydrophobicContact CE1-CD1 4.06Å; F144-F153 AromaticContact CE1-CE1 3.83Å; F144-F153 HydrophobicContact CE1-CE1 3.83Å; F144-F153 HydrophobicContact CE1-CG 4.48Å; F144-F153 HydrophobicContact CE1-CZ 4.1Å; L150-F153 HydrophobicContact CB-CD1 4.37Å; L150-F153 HydrophobicContact CB-CE1 3.77Å; L150-F153 HydrophobicContact CB-CZ 3.99Å; L150-F153 HydrophobicContact CD1-CE1 3.88Å; L150-F153 HydrophobicContact CD1-CZ 4.39Å; L150-F153 HydrophobicContact CG-CE1 4.24Å; L150-F153 HydrophobicContact CG-CZ 4.39Å; T151-F153 VanDerWaalsContact C-N 3.33Å; T151-F153 PolarHBondContact O-N 2.88Å; F153-L157 HydrophobicContact CB-CD1 3.96Å; F153-L157 HydrophobicContact CD2-CB 4.48Å; F153-L157 HydrophobicContact CD2-CD1 4.39Å; F153-I158 HydrophobicContact CE2-CD1 3.59Å; F153-I158 HydrophobicContact CE2-CG1 3.68Å; F153-I158 HydrophobicContact CZ-CD1 4Å; F153-I158 HydrophobicContact CZ-CG1 4.22Å; F153-A221 HydrophobicContact CB-CB 3.74Å; F153-A221 HydrophobicContact CG-CB 4.43Å
154H81.9Confident87.4Confident50 Ų5045.8 Ų45.823%0.23124%0.238CC..  trans-85.5137.5-178-166.6-93.2000111.7S156 L157 L467H154-S156 PolarHBondContact CE1-OG 3.06Å; H154-S156 WeakPolarHBondContact ND1-CB 3.41Å; H154-S156 PolarHBondContact ND1-N 3.5Å; H154-S156 VanDerWaalsContact ND1-N 3.17Å; H154-S156 PolarHBondContact ND1-OG 3.45Å; H154-S156 PolarHBondContact O-N 2.84Å; H154-L157 WeakPolarHBondContact O-CB 3.41Å; H154-L157 PolarHBondContact O-N 3.48Å; H154-L467 HydrophobicContact CB-CB 3.59Å; H154-L467 HydrophobicContact CB-CD1 4.28Å; H154-L467 HydrophobicContact CB-CD2 4.35Å; H154-L467 HydrophobicContact CB-CG 4.26Å; H154-L467 WeakPolarHBondContact CD2-CD2 3.45Å; H154-L467 WeakPolarHBondContact CE1-CD2 3.17Å; H154-L467 VanDerWaalsContact CG-CD2 3.49Å; H154-L467 VanDerWaalsContact ND1-CD1 3.26Å; H154-L467 WeakPolarHBondContact ND1-CD1 3.5Å; H154-L467 WeakPolarHBondContact ND1-CD2 3.27Å; H154-L467 VanDerWaalsContact NE2-CD2 3.3Å; H154-L467 WeakPolarHBondContact NE2-CD2 3.45Å
155P85.4Confident87.6Confident59 Ų5945.9 Ų45.938%0.38324%0.238SC..Hα-helixtrans-59.7-19.5-178.222.8-35.8000114.7K149 L157 I158 S159K149-P155 HydrophobicContact CD-CB 4.45Å; K149-P155 HydrophobicContact CG-CB 4.43Å; P155-L157 PolarHBondContact O-N 2.99Å; P155-I158 PolarHBondContact O-N 3.2Å; P155-S159 PolarHBondContact O-N 3.21Å
156S86.5Confident87.8Confident31 Ų3145 Ų4522%0.21724%0.235CC..Hα-helixtrans-63.6-26.3173.4-53.10000113.2H154 S159 I160 L467H154-S156 PolarHBondContact CE1-OG 3.06Å; H154-S156 WeakPolarHBondContact ND1-CB 3.41Å; H154-S156 PolarHBondContact ND1-N 3.5Å; H154-S156 VanDerWaalsContact ND1-N 3.17Å; H154-S156 PolarHBondContact ND1-OG 3.45Å; H154-S156 PolarHBondContact O-N 2.84Å; S156-S159 PolarHBondContact O-N 3.23Å; S156-I160 VanDerWaalsContact O-CG1 3.27Å; S156-I160 WeakPolarHBondContact O-CG1 3.34Å; S156-I160 PolarHBondContact O-N 3.2Å; S156-L467 WeakPolarHBondContact OG-CD1 3.42Å
157L89Confident88.1Confident2 Ų242.1 Ų42.11%0.0122%0.222CC..Hα-helixtrans-61.5-47.2175.2-77.6163.2000110.4F153 H154 P155 S159 I160 S161 A221 L224 L464 V468F153-L157 HydrophobicContact CB-CD1 3.96Å; F153-L157 HydrophobicContact CD2-CB 4.48Å; F153-L157 HydrophobicContact CD2-CD1 4.39Å; H154-L157 WeakPolarHBondContact O-CB 3.41Å; H154-L157 PolarHBondContact O-N 3.48Å; P155-L157 PolarHBondContact O-N 2.99Å; L157-S159 VanDerWaalsContact C-N 3.29Å; L157-S159 PolarHBondContact O-N 3.21Å; L157-I160 PolarHBondContact O-N 3.06Å; L157-I160 VanDerWaalsContact O-N 3.16Å; L157-S161 PolarHBondContact O-N 3.26Å; L157-S161 PolarHBondContact O-OG 3.33Å; L157-S161 VanDerWaalsContact O-OG 3.08Å; L157-A221 HydrophobicContact CD1-CB 4.11Å; L157-L224 HydrophobicContact CB-CD2 4.14Å; L157-L224 HydrophobicContact CD2-CD2 4.24Å; L157-L464 HydrophobicContact CD2-CD2 3.25Å; L157-L464 HydrophobicContact CG-CD2 4.17Å; L157-V468 HydrophobicContact CD1-CG2 4.44Å
158I89.7Confident88.5Confident22 Ų2241.2 Ų41.211%0.11322%0.218CC..Hα-helixtrans-58-44.1174.7-61.8167000110.6K149 F153 P155 I160 S161 R162K149-I158 HydrophobicContact CG-CD1 4.17Å; F153-I158 HydrophobicContact CE2-CD1 3.59Å; F153-I158 HydrophobicContact CE2-CG1 3.68Å; F153-I158 HydrophobicContact CZ-CD1 4Å; F153-I158 HydrophobicContact CZ-CG1 4.22Å; P155-I158 PolarHBondContact O-N 3.2Å; I158-I160 VanDerWaalsContact C-N 3.33Å; I158-I160 PolarHBondContact O-N 3.14Å; I158-S161 PolarHBondContact O-N 3.47Å; I158-R162 WeakPolarHBondContact O-CB 3.45Å; I158-R162 PolarHBondContact O-N 2.74Å
159S89.8Confident89Confident80 Ų8038.8 Ų38.856%0.55920%0.201SC*.Hα-helixtrans-63-38.3178.9-1730000112.8P155 S156 L157 R163P155-S159 PolarHBondContact O-N 3.21Å; S156-S159 PolarHBondContact O-N 3.23Å; L157-S159 VanDerWaalsContact C-N 3.29Å; L157-S159 PolarHBondContact O-N 3.21Å; S159-R163 PolarHBondContact O-N 2.99Å; S159-R163 VanDerWaalsContact O-N 3.08Å
160I91.1Very high89.4Confident11 Ų1130.5 Ų30.56%0.05617%0.165CC..Hα-helixtrans-71.3-42.9177.7-70164.1000110S156 L157 I158 R163 L164 A228 E460 L464S156-I160 VanDerWaalsContact O-CG1 3.27Å; S156-I160 WeakPolarHBondContact O-CG1 3.34Å; S156-I160 PolarHBondContact O-N 3.2Å; L157-I160 PolarHBondContact O-N 3.06Å; L157-I160 VanDerWaalsContact O-N 3.16Å; I158-I160 VanDerWaalsContact C-N 3.33Å; I158-I160 PolarHBondContact O-N 3.14Å; I160-R163 PolarHBondContact O-N 3.38Å; I160-L164 HydrophobicContact CG2-CD1 3.87Å; I160-L164 HydrophobicContact CG2-CG 4.32Å; I160-L164 WeakPolarHBondContact O-CB 3.18Å; I160-L164 WeakPolarHBondContact O-CG 3.3Å; I160-L164 PolarHBondContact O-N 2.82Å; I160-A228 HydrophobicContact CG2-CB 4.2Å; I160-E460 HydrophobicContact CD1-CB 4.22Å; I160-E460 HydrophobicContact CG1-CB 4.26Å; I160-L464 HydrophobicContact CD1-CD1 4.06Å; I160-L464 HydrophobicContact CD1-CD2 3.52Å; I160-L464 HydrophobicContact CD1-CG 3.65Å
161S92.5Very high89.9Confident1 Ų128.8 Ų28.81%0.00716%0.156CC..Hα-helixtrans-58-51173.3-590000111.1L141 L157 I158 R163 L164 C165L141-S161 WeakPolarHBondContact CD2-O 3.43Å; L157-S161 PolarHBondContact O-N 3.26Å; L157-S161 PolarHBondContact O-OG 3.33Å; L157-S161 VanDerWaalsContact O-OG 3.08Å; I158-S161 PolarHBondContact O-N 3.47Å; S161-R163 PolarHBondContact O-N 2.91Å; S161-L164 PolarHBondContact O-N 3.46Å; S161-L164 VanDerWaalsContact O-N 3.14Å; S161-C165 PolarHBondContact O-N 3.49Å
162R91.7Very high90.6Very high87 Ų8723.3 Ų23.333%0.32812%0.123SC..Hα-helixtrans-55.6-42.2176.8-163.4-173.5179-151.9-9111.5E145 I158 V166 F270 E271E145-R162 HydrophobicContact CG-CB 3.99Å; E145-R162 HydrophobicContact CG-CG 3.9Å; I158-R162 WeakPolarHBondContact O-CB 3.45Å; I158-R162 PolarHBondContact O-N 2.74Å; R162-V166 VanDerWaalsContact O-CG2 3.27Å; R162-V166 WeakPolarHBondContact O-CG2 3.4Å; R162-V166 PolarHBondContact O-N 3.24Å; R162-V166 VanDerWaalsContact O-N 3.17Å; R162-F270 HydrophobicContact CB-CZ 4.38Å; R162-F270 HydrophobicContact CG-CE1 3.95Å; R162-F270 HydrophobicContact CG-CZ 3.82Å; R162-E271 IonicContact CZ-OE1 2.68Å; R162-E271 VanDerWaalsContact CZ-OE1 3.3Å; R162-E271 IonicContact NH1-OE1 3.28Å; R162-E271 PolarHBondContact NH1-OE1 3.36Å; R162-E271 VanDerWaalsContact NH2-CD 3.31Å; R162-E271 IonicContact NH2-OE1 3.71Å; R162-E271 PolarHBondContact NH2-OE1 3.28Å; R162-E271 IonicContact NH2-OE2 3.54Å; R162-E271 PolarHBondContact NH2-OE2 3.3Å; R162-E271 VanDerWaalsContact NH2-OE2 3.08Å
163R91.9Very high91.2Very high42 Ų4221 Ų2116%0.15811%0.113CC..Hα-helixtrans-62.6-52.3176.1-171.1-171.867.6164-3.2112.3S159 I160 S161 C165 V166 E167 F270 E460S159-R163 PolarHBondContact O-N 2.99Å; S159-R163 VanDerWaalsContact O-N 3.08Å; I160-R163 PolarHBondContact O-N 3.38Å; S161-R163 PolarHBondContact O-N 2.91Å; R163-C165 VanDerWaalsContact C-N 3.34Å; R163-C165 PolarHBondContact O-N 2.79Å; R163-V166 PolarHBondContact O-N 3.13Å; R163-E167 VanDerWaalsContact CD-OE1 3.3Å; R163-E167 WeakPolarHBondContact CD-OE1 3.5Å; R163-E167 HydrophobicContact CG-CG 4.31Å; R163-E167 WeakPolarHBondContact CG-OE1 3.47Å; R163-E167 IonicContact CZ-OE1 2.62Å; R163-E167 IonicContact NE-OE1 2.9Å; R163-E167 PolarHBondContact NE-OE1 3.04Å; R163-E167 WeakPolarHBondContact O-CG 3.45Å; R163-E167 PolarHBondContact O-N 3.47Å; R163-F270 HydrophobicContact CB-CE2 4.14Å; R163-F270 HydrophobicContact CG-CE2 4.18Å; R163-E460 IonicContact CZ-OE1 3.88Å; R163-E460 IonicContact CZ-OE2 3.35Å; R163-E460 IonicContact NH1-OE1 3.87Å; R163-E460 PolarHBondContact NH1-OE1 3.12Å; R163-E460 IonicContact NH1-OE2 3.73Å; R163-E460 PolarHBondContact NH1-OE2 3.35Å; R163-E460 IonicContact NH2-OE2 3.15Å; R163-E460 PolarHBondContact NH2-OE2 3.37Å
164L94Very high91.7Very high3 Ų321.5 Ų21.52%0.01612%0.118CC..Hα-helixtrans-64.5-36-178-70.8174.8000112.3L141 I160 S161 E167 F168 A228 I231L141-L164 HydrophobicContact CD1-CB 3.73Å; L141-L164 HydrophobicContact CD1-CD1 3.85Å; L141-L164 HydrophobicContact CD1-CG 4.47Å; L141-L164 HydrophobicContact CD2-CB 4.14Å; I160-L164 HydrophobicContact CG2-CD1 3.87Å; I160-L164 HydrophobicContact CG2-CG 4.32Å; I160-L164 WeakPolarHBondContact O-CB 3.18Å; I160-L164 WeakPolarHBondContact O-CG 3.3Å; I160-L164 PolarHBondContact O-N 2.82Å; S161-L164 PolarHBondContact O-N 3.46Å; S161-L164 VanDerWaalsContact O-N 3.14Å; L164-E167 PolarHBondContact O-N 3.21Å; L164-F168 VanDerWaalsContact O-CB 3.28Å; L164-F168 WeakPolarHBondContact O-CB 3.37Å; L164-F168 PolarHBondContact O-N 2.83Å; L164-A228 HydrophobicContact CD1-CB 3.78Å; L164-A228 WeakPolarHBondContact CD1-O 3.32Å; L164-I231 HydrophobicContact CB-CG2 4.45Å
165C94.7Very high92.2Very high1 Ų120.8 Ų20.81%0.00712%0.117CC..Hα-helixtrans-55-54169.6-81.10000110.6L141 F142 E145 S161 R163 E167 F168 L169L141-C165 HydrophobicContact CD2-CB 4.11Å; L141-C165 WeakPolarHBondContact CD2-SG 3.3Å; F142-C165 HydrophobicContact CD1-CB 4.35Å; F142-C165 WeakPolarHBondContact CD1-SG 3.28Å; F142-C165 HydrophobicContact CE1-CB 3.92Å; F142-C165 VanDerWaalsContact CE1-SG 3.51Å; F142-C165 HydrophobicContact CZ-CB 4.33Å; E145-C165 WeakPolarHBondContact OE2-CB 3.32Å; E145-C165 PolarHBondContact OE2-SG 2.83Å; S161-C165 PolarHBondContact O-N 3.49Å; R163-C165 VanDerWaalsContact C-N 3.34Å; R163-C165 PolarHBondContact O-N 2.79Å; C165-E167 PolarHBondContact O-N 2.91Å; C165-F168 PolarHBondContact O-N 3.09Å; C165-F168 VanDerWaalsContact O-N 3.17Å; C165-L169 VanDerWaalsContact O-CG 3.29Å; C165-L169 WeakPolarHBondContact O-CG 3.27Å; C165-L169 PolarHBondContact O-N 3.19Å
166V93.6Very high92.6Very high9 Ų920.8 Ų20.86%0.05511%0.112CC..Hα-helixtrans-63.9-41.3-177.3172.80000111.2R162 R163 F168 L169 N170 F270 M273 S274R162-V166 VanDerWaalsContact O-CG2 3.27Å; R162-V166 WeakPolarHBondContact O-CG2 3.4Å; R162-V166 PolarHBondContact O-N 3.24Å; R162-V166 VanDerWaalsContact O-N 3.17Å; R163-V166 PolarHBondContact O-N 3.13Å; V166-F168 VanDerWaalsContact C-N 3.34Å; V166-L169 PolarHBondContact O-N 3.24Å; V166-N170 WeakPolarHBondContact CG1-ND2 3.5Å; V166-N170 WeakPolarHBondContact O-CB 3.34Å; V166-N170 PolarHBondContact O-N 3.15Å; V166-N170 PolarHBondContact O-ND2 2.93Å; V166-F270 HydrophobicContact CB-CE2 4.09Å; V166-F270 HydrophobicContact CB-CZ 4.18Å; V166-F270 HydrophobicContact CG1-CE2 4.32Å; V166-F270 HydrophobicContact CG2-CE1 4.46Å; V166-F270 HydrophobicContact CG2-CE2 4.12Å; V166-F270 HydrophobicContact CG2-CZ 3.69Å; V166-M273 HydrophobicContact CG1-CB 3.82Å; V166-M273 HydrophobicContact CG1-CE 4.45Å; V166-S274 VanDerWaalsContact CG2-OG 3.28Å; V166-S274 WeakPolarHBondContact CG2-OG 3.26Å
167E93.8Very high92.9Very high5 Ų519.4 Ų19.42%0.02310%0.103CC..Hα-helixtrans-60.7-43173.9-67.5-179.5-172.100111.5R163 L164 C165 L171 Y239 Y246 P248R163-E167 VanDerWaalsContact CD-OE1 3.3Å; R163-E167 WeakPolarHBondContact CD-OE1 3.5Å; R163-E167 HydrophobicContact CG-CG 4.31Å; R163-E167 WeakPolarHBondContact CG-OE1 3.47Å; R163-E167 IonicContact CZ-OE1 2.62Å; R163-E167 IonicContact NE-OE1 2.9Å; R163-E167 PolarHBondContact NE-OE1 3.04Å; R163-E167 WeakPolarHBondContact O-CG 3.45Å; R163-E167 PolarHBondContact O-N 3.47Å; L164-E167 PolarHBondContact O-N 3.21Å; C165-E167 PolarHBondContact O-N 2.91Å; E167-L171 PolarHBondContact O-N 3.07Å; E167-Y239 PolarHBondContact O-OH 3.46Å; E167-Y246 VanDerWaalsContact OE2-CE2 3.3Å; E167-Y246 WeakPolarHBondContact OE2-CE2 3.21Å; E167-Y246 PolarHBondContact OE2-OH 2.87Å; E167-P248 HydrophobicContact CB-CG 4.32Å; E167-P248 HydrophobicContact CG-CG 3.67Å
168F95.2Very high93.2Very high0 Ų019.5 Ų19.50%010%0.104CC..Hα-helixtrans-66.7-46.3178.1177.8-106.2000112.2L138 F142 L164 C165 V166 N170 L171 V172 I194 W201 M235L138-F168 HydrophobicContact CD1-CD1 4.49Å; L138-F168 HydrophobicContact CD1-CE1 3.8Å; L138-F168 HydrophobicContact CD1-CE2 3.95Å; L138-F168 HydrophobicContact CD1-CZ 3.48Å; L138-F168 VanDerWaalsContact CD1-CZ 3.48Å; L138-F168 HydrophobicContact CD2-CD1 3.82Å; L138-F168 HydrophobicContact CD2-CD2 4.13Å; L138-F168 HydrophobicContact CD2-CE1 3.96Å; L138-F168 HydrophobicContact CD2-CE2 4.26Å; L138-F168 HydrophobicContact CD2-CG 3.91Å; L138-F168 HydrophobicContact CD2-CZ 4.18Å; F142-F168 HydrophobicContact CE2-CD1 4.29Å; F142-F168 HydrophobicContact CZ-CD1 4.33Å; L164-F168 VanDerWaalsContact O-CB 3.28Å; L164-F168 WeakPolarHBondContact O-CB 3.37Å; L164-F168 PolarHBondContact O-N 2.83Å; C165-F168 PolarHBondContact O-N 3.09Å; C165-F168 VanDerWaalsContact O-N 3.17Å; V166-F168 VanDerWaalsContact C-N 3.34Å; F168-N170 VanDerWaalsContact C-N 3.35Å; F168-N170 PolarHBondContact O-N 3.28Å; F168-L171 WeakPolarHBondContact O-CB 3.35Å; F168-L171 PolarHBondContact O-N 3.43Å; F168-L171 VanDerWaalsContact O-N 3.15Å; F168-V172 HydrophobicContact CD1-CG2 4.39Å; F168-V172 HydrophobicContact CE1-CG2 3.96Å; F168-V172 HydrophobicContact CE2-CG2 4.14Å; F168-V172 HydrophobicContact CZ-CG2 3.83Å; F168-V172 WeakPolarHBondContact O-CG2 3.18Å; F168-V172 PolarHBondContact O-N 3.32Å; F168-I194 HydrophobicContact CE2-CD1 3.72Å; F168-I194 HydrophobicContact CZ-CD1 4.07Å; F168-W201 AromaticContact CE1-CD2 3.91Å; F168-W201 HydrophobicContact CE1-CD2 3.91Å; F168-W201 AromaticContact CE1-CE2 3.77Å; F168-W201 AromaticContact CE1-CE3 3.96Å; F168-W201 HydrophobicContact CE1-CE3 3.96Å; F168-W201 AromaticContact CE1-CH2 3.74Å; F168-W201 HydrophobicContact CE1-CH2 3.74Å; F168-W201 AromaticContact CE1-CZ2 3.69Å; F168-W201 HydrophobicContact CE1-CZ2 3.69Å; F168-W201 AromaticContact CE1-CZ3 3.88Å; F168-W201 HydrophobicContact CE1-CZ3 3.88Å; F168-W201 HydrophobicContact CZ-CD2 4.48Å; F168-W201 HydrophobicContact CZ-CE3 4.09Å; F168-W201 HydrophobicContact CZ-CH2 4.01Å; F168-W201 HydrophobicContact CZ-CZ2 4.43Å; F168-W201 AromaticContact CZ-CZ3 3.84Å; F168-W201 HydrophobicContact CZ-CZ3 3.84Å; F168-M235 HydrophobicContact CB-SD 4.22Å; F168-M235 HydrophobicContact CD2-CE 3.61Å; F168-M235 HydrophobicContact CD2-SD 3.88Å; F168-M235 HydrophobicContact CE2-CE 4.22Å
169L95.4Very high93.4Very high10 Ų1020.5 Ų20.55%0.05211%0.106CC..Hα-helixtrans-61.4-43.3178.1-68179.2000111.5F142 C165 V166 L171 V172 V173 W201 M203 L276 L339F142-L169 HydrophobicContact CE1-CD1 4.24Å; F142-L169 HydrophobicContact CE1-CD2 4.38Å; F142-L169 HydrophobicContact CE1-CG 4.39Å; F142-L169 HydrophobicContact CZ-CD1 4.47Å; F142-L169 HydrophobicContact CZ-CD2 3.89Å; F142-L169 HydrophobicContact CZ-CG 4.12Å; C165-L169 VanDerWaalsContact O-CG 3.29Å; C165-L169 WeakPolarHBondContact O-CG 3.27Å; C165-L169 PolarHBondContact O-N 3.19Å; V166-L169 PolarHBondContact O-N 3.24Å; L169-L171 VanDerWaalsContact C-N 3.3Å; L169-L171 PolarHBondContact O-N 3.08Å; L169-V172 PolarHBondContact O-N 2.68Å; L169-V173 WeakPolarHBondContact O-CG2 3.41Å; L169-V173 PolarHBondContact O-N 3.36Å; L169-W201 HydrophobicContact CD2-CZ2 4.46Å; L169-M203 HydrophobicContact CD1-CE 4.36Å; L169-M203 HydrophobicContact CD2-SD 4.29Å; L169-L276 HydrophobicContact CB-CD1 4.2Å; L169-L276 HydrophobicContact CB-CD2 3.89Å; L169-L276 HydrophobicContact CD1-CD1 4.41Å; L169-L339 HydrophobicContact CD2-CD1 4.03Å; L169-L339 HydrophobicContact CD2-CD2 3.81Å; L169-L339 HydrophobicContact CD2-CG 4.5Å
170N94.3Very high93.6Very high3 Ų319.4 Ų19.42%0.0169%0.091CC..Hα-helixtrans-64.8-34.3175.9-81.6-76.9000112.5V166 F168 A174 M273 L276 L280V166-N170 WeakPolarHBondContact CG1-ND2 3.5Å; V166-N170 WeakPolarHBondContact O-CB 3.34Å; V166-N170 PolarHBondContact O-N 3.15Å; V166-N170 PolarHBondContact O-ND2 2.93Å; F168-N170 VanDerWaalsContact C-N 3.35Å; F168-N170 PolarHBondContact O-N 3.28Å; N170-A174 WeakPolarHBondContact O-CB 3.45Å; N170-A174 PolarHBondContact O-N 2.63Å; N170-M273 PolarHBondContact ND2-O 2.78Å; N170-L276 HydrophobicContact CB-CD2 4.42Å; N170-L276 WeakPolarHBondContact ND2-CD2 3.45Å; N170-L280 HydrophobicContact CB-CD1 3.9Å; N170-L280 HydrophobicContact CB-CD2 4.23Å; N170-L280 HydrophobicContact CB-CG 4.22Å
171L94.2Very high93.8Very high3 Ų318.9 Ų18.92%0.0169%0.089CC..Hα-helixtrans-62.2-50.2172.5178.868.8000110.4E167 F168 L169 V173 A174 T175 M235 L238 Y239 L244E167-L171 PolarHBondContact O-N 3.07Å; F168-L171 WeakPolarHBondContact O-CB 3.35Å; F168-L171 PolarHBondContact O-N 3.43Å; F168-L171 VanDerWaalsContact O-N 3.15Å; L169-L171 VanDerWaalsContact C-N 3.3Å; L169-L171 PolarHBondContact O-N 3.08Å; L171-V173 VanDerWaalsContact C-N 3.31Å; L171-V173 PolarHBondContact O-N 3.48Å; L171-A174 PolarHBondContact O-N 3.26Å; L171-A174 VanDerWaalsContact O-N 3.14Å; L171-T175 HydrophobicContact CD1-CG2 4.04Å; L171-T175 HydrophobicContact CG-CG2 4.45Å; L171-T175 WeakPolarHBondContact O-CG2 3.49Å; L171-T175 PolarHBondContact O-N 3.15Å; L171-T175 PolarHBondContact O-OG1 3.48Å; L171-M235 HydrophobicContact CD2-CE 4.23Å; L171-M235 HydrophobicContact CD2-SD 3.67Å; L171-L238 HydrophobicContact CD1-CB 4.49Å; L171-L238 HydrophobicContact CD2-CB 3.76Å; L171-L238 HydrophobicContact CD2-CD1 3.8Å; L171-L238 HydrophobicContact CD2-CG 4.42Å; L171-Y239 HydrophobicContact CB-CD2 4.46Å; L171-Y239 HydrophobicContact CB-CE2 3.72Å; L171-Y239 HydrophobicContact CD1-CD2 3.91Å; L171-Y239 HydrophobicContact CD1-CE2 3.99Å; L171-Y239 HydrophobicContact CD1-CG 4.42Å; L171-Y239 HydrophobicContact CD2-CD2 4.4Å; L171-Y239 HydrophobicContact CD2-CE2 4.3Å; L171-Y239 HydrophobicContact CG-CD2 4.49Å; L171-Y239 HydrophobicContact CG-CE2 4.21Å; L171-L244 HydrophobicContact CD1-CD1 3.81Å
172V95.1Very high93.9Very high0 Ų020.6 Ų20.60%010%0.096CC..Hα-helixtrans-59.4-40.9179.9171.30000111.8F168 L169 T175 Q176 A177 V178 A192 W201 L339F168-V172 HydrophobicContact CD1-CG2 4.39Å; F168-V172 HydrophobicContact CE1-CG2 3.96Å; F168-V172 HydrophobicContact CE2-CG2 4.14Å; F168-V172 HydrophobicContact CZ-CG2 3.83Å; F168-V172 WeakPolarHBondContact O-CG2 3.18Å; F168-V172 PolarHBondContact O-N 3.32Å; L169-V172 PolarHBondContact O-N 2.68Å; V172-T175 PolarHBondContact O-OG1 3.39Å; V172-Q176 PolarHBondContact O-N 3.49Å; V172-A177 HydrophobicContact CG1-CB 4.41Å; V172-A177 PolarHBondContact O-N 3.04Å; V172-V178 HydrophobicContact CG1-CG2 3.5Å; V172-V178 VanDerWaalsContact CG1-CG2 3.5Å; V172-A192 HydrophobicContact CG1-CB 3.96Å; V172-A192 HydrophobicContact CG2-CB 4.35Å; V172-W201 HydrophobicContact CG1-CH2 4.26Å; V172-W201 HydrophobicContact CG2-CH2 4.02Å; V172-L339 HydrophobicContact CB-CD1 4.38Å; V172-L339 HydrophobicContact CG1-CD1 4.04Å
173V94.4Very high94Very high14 Ų1418.8 Ų18.89%0.0859%0.092CC..Hα-helixtrans-64.6-47.2173.9171.30000111.1L169 L171 T175 Q176 L276 L339 R342L169-V173 WeakPolarHBondContact O-CG2 3.41Å; L169-V173 PolarHBondContact O-N 3.36Å; L171-V173 VanDerWaalsContact C-N 3.31Å; L171-V173 PolarHBondContact O-N 3.48Å; V173-T175 VanDerWaalsContact C-N 3.28Å; V173-T175 PolarHBondContact O-N 3.32Å; V173-Q176 PolarHBondContact O-N 3.4Å; V173-L276 HydrophobicContact CG2-CD1 4.47Å; V173-L339 HydrophobicContact CG2-CD1 3.64Å; V173-R342 HydrophobicContact CG1-CB 3.56Å; V173-R342 HydrophobicContact CG2-CB 4.24Å
174A92.6Very high94Very high18 Ų1818.3 Ų18.315%0.14910%0.095CC..Hα-helixtrans-67.2-27.5-176.800000113.5N170 L171 L244 L280 R282N170-A174 WeakPolarHBondContact O-CB 3.45Å; N170-A174 PolarHBondContact O-N 2.63Å; L171-A174 PolarHBondContact O-N 3.26Å; L171-A174 VanDerWaalsContact O-N 3.14Å; A174-L244 HydrophobicContact CB-CD1 3.9Å; A174-L244 HydrophobicContact CB-CD2 4.28Å; A174-L280 HydrophobicContact CB-CD1 4.2Å; A174-R282 PolarHBondContact O-NH2 3.36Å
175T91.5Very high93.8Very high35 Ų3526.2 Ų26.222%0.21514%0.136CC..Hα-helixtrans-94.6-7.8176.560.90000113.6L171 V172 V173 A177 N242L171-T175 HydrophobicContact CD1-CG2 4.04Å; L171-T175 HydrophobicContact CG-CG2 4.45Å; L171-T175 WeakPolarHBondContact O-CG2 3.49Å; L171-T175 PolarHBondContact O-N 3.15Å; L171-T175 PolarHBondContact O-OG1 3.48Å; V172-T175 PolarHBondContact O-OG1 3.39Å; V173-T175 VanDerWaalsContact C-N 3.28Å; V173-T175 PolarHBondContact O-N 3.32Å; T175-A177 VanDerWaalsContact C-N 3.3Å; T175-A177 PolarHBondContact O-N 3.46Å; T175-A177 WeakPolarHBondContact OG1-CB 3.23Å; T175-N242 HydrophobicContact CG2-CB 4.14Å; T175-N242 WeakPolarHBondContact CG2-ND2 3.39Å
176Q93.6Very high93.5Very high59 Ų5933.4 Ų33.428%0.27617%0.167SC..THydrogen-bonded Turntrans51.750.2-177.3-58.8-175.6-48.400111.8V172 V173 R179 K318 S343V172-Q176 PolarHBondContact O-N 3.49Å; V173-Q176 PolarHBondContact O-N 3.4Å; Q176-R179 PolarHBondContact O-NH1 3.21Å; Q176-K318 HydrophobicContact CB-CB 4.46Å; Q176-K318 HydrophobicContact CB-CD 4.31Å; Q176-K318 HydrophobicContact CB-CG 3.85Å; Q176-K318 PolarHBondContact NE2-O 3.26Å; Q176-S343 WeakPolarHBondContact CB-O 3.27Å; Q176-S343 VanDerWaalsContact CG-O 3.24Å; Q176-S343 WeakPolarHBondContact CG-O 3.42Å
177A93.1Very high93.5Very high3 Ų333 Ų333%0.02517%0.165CC..  trans-92.1-10.7-168.700000114.5V172 T175 R179 A192 E193V172-A177 HydrophobicContact CG1-CB 4.41Å; V172-A177 PolarHBondContact O-N 3.04Å; T175-A177 VanDerWaalsContact C-N 3.3Å; T175-A177 PolarHBondContact O-N 3.46Å; T175-A177 WeakPolarHBondContact OG1-CB 3.23Å; A177-R179 VanDerWaalsContact C-NH1 3.31Å; A177-R179 PolarHBondContact O-NH1 2.89Å; A177-A192 HydrophobicContact CB-CB 3.93Å; A177-A192 CarbonylContact O-C 3.59Å; A177-A192 WeakPolarHBondContact O-CA 3.19Å; A177-A192 WeakPolarHBondContact O-CB 3.22Å; A177-E193 WeakPolarHBondContact CB-O 3.42Å; A177-E193 PolarHBondContact O-N 3.26Å
178V95.4Very high93.5Very high3 Ų333.4 Ų33.42%0.01817%0.166CC..EExtended strand (participates in β ladder)trans-64137.7-178.7-178.10000110.8V172 V190 L339 S343 L395V172-V178 HydrophobicContact CG1-CG2 3.5Å; V172-V178 VanDerWaalsContact CG1-CG2 3.5Å; V178-V190 HydrophobicContact CG1-CG1 4.11Å; V178-V190 HydrophobicContact CG2-CG1 4.32Å; V178-L339 HydrophobicContact CG2-CG 4.44Å; V178-S343 WeakPolarHBondContact CG2-OG 3.06Å; V178-L395 HydrophobicContact CG1-CD1 4.26Å; V178-L395 HydrophobicContact CG1-CD2 3.76Å
179R93.3Very high93.5Very high44 Ų4434.4 Ų34.417%0.16617%0.17CC..EExtended strand (participates in β ladder)trans-126.9-44.3179.6-62-64.1177.7-94.1-7.6113.4Q176 A177 Q191 E193Q176-R179 PolarHBondContact O-NH1 3.21Å; A177-R179 VanDerWaalsContact C-NH1 3.31Å; A177-R179 PolarHBondContact O-NH1 2.89Å; R179-Q191 PolarHBondContact N-O 3.05Å; R179-E193 HydrophobicContact CG-CB 4.04Å; R179-E193 IonicContact CZ-OE2 3.92Å; R179-E193 IonicContact NE-OE2 2.66Å; R179-E193 PolarHBondContact NE-OE2 3.14Å; R179-E193 IonicContact NH2-OE2 3.23Å; R179-E193 PolarHBondContact NH2-OE2 3.05Å
180K94.3Very high93.6Very high57 Ų5733.9 Ų33.925%0.24817%0.168CC..EExtended strand (participates in β ladder)trans-133.5144.8-178.8-57.3-174.8178.6-1750109.4Q191 N396 P418 F419K180-Q191 HydrophobicContact CB-CB 4.03Å; K180-Q191 PolarHBondContact N-O 2.72Å; K180-Q191 PolarHBondContact O-N 3.17Å; K180-N396 WeakPolarHBondContact CA-OD1 3.19Å; K180-P418 HydrophobicContact CB-CB 4.34Å; K180-P418 HydrophobicContact CB-CG 3.89Å; K180-P418 HydrophobicContact CD-CB 3.96Å; K180-P418 HydrophobicContact CD-CG 4.21Å; K180-P418 HydrophobicContact CG-CB 4.32Å; K180-P418 HydrophobicContact CG-CG 4.41Å; K180-P418 PolarHBondContact NZ-O 3.34Å; K180-F419 HydrophobicContact CB-CE1 4.27Å; K180-F419 HydrophobicContact CB-CZ 4.15Å; K180-F419 HydrophobicContact CD-CD1 4.47Å; K180-F419 HydrophobicContact CD-CE1 4.28Å
181A95.2Very high93.6Very high0 Ų035.2 Ų35.20%017%0.173CC..EExtended strand (participates in β ladder)trans-143.7149.1170.400000110.9Y189 I340 F392 L395 N396A181-Y189 CarbonylContact C-O 3.6Å; A181-Y189 WeakPolarHBondContact CA-O 3.43Å; A181-I340 HydrophobicContact CB-CD1 3.72Å; A181-I340 HydrophobicContact CB-CG1 4.39Å; A181-F392 HydrophobicContact CB-CD1 3.58Å; A181-F392 HydrophobicContact CB-CE1 3.89Å; A181-L395 HydrophobicContact CB-CD2 3.57Å; A181-N396 PolarHBondContact N-OD1 2.88Å; A181-N396 PolarHBondContact O-ND2 3.3Å; A181-N396 PolarHBondContact O-OD1 3.32Å
182F94.8Very high93.6Very high37 Ų3735 Ų3516%0.16217%0.173CC..EExtended strand (participates in β ladder)trans-146.3136-179.5178.8-110.7000111.2Y189 H415 F419F182-Y189 HydrophobicContact CD1-CD2 4.19Å; F182-Y189 PolarHBondContact N-O 3.03Å; F182-Y189 PolarHBondContact O-N 3.22Å; F182-H415 AromaticContact CD2-CD2 3.51Å; F182-H415 AromaticContact CD2-NE2 3.25Å; F182-H415 WeakPolarHBondContact CD2-NE2 3.3Å; F182-H415 AromaticContact CE2-CD2 3.38Å; F182-H415 WeakPolarHBondContact CE2-CD2 3.45Å; F182-H415 AromaticContact CE2-NE2 3.68Å; F182-F419 HydrophobicContact CB-CD2 4.31Å; F182-F419 HydrophobicContact CB-CE2 3.83Å
183I93.5Very high93.5Very high48 Ų4838.4 Ų38.425%0.24619%0.188CC..EExtended strand (participates in β ladder)trans-92.7124.5176.3-49.2177.2000108.6F188 F392 H415I183-F188 HydrophobicContact CB-CD1 4.49Å; I183-F188 HydrophobicContact CD1-CE1 4.5Å; I183-F188 HydrophobicContact CG1-CD1 4.05Å; I183-F188 HydrophobicContact CG1-CE1 4.17Å; I183-F188 HydrophobicContact CG2-CD1 4.24Å; I183-F188 HydrophobicContact CG2-CE1 4Å; I183-F392 HydrophobicContact CD1-CD1 4.32Å; I183-F392 HydrophobicContact CD1-CD2 3.58Å; I183-F392 HydrophobicContact CD1-CE1 4.33Å; I183-F392 HydrophobicContact CD1-CE2 3.58Å; I183-F392 HydrophobicContact CD1-CG 3.97Å; I183-F392 HydrophobicContact CD1-CZ 3.98Å; I183-F392 HydrophobicContact CG1-CD1 3.72Å; I183-F392 HydrophobicContact CG1-CD2 3.93Å; I183-F392 HydrophobicContact CG1-CE1 3.65Å; I183-F392 HydrophobicContact CG1-CE2 3.85Å; I183-F392 HydrophobicContact CG1-CG 3.86Å; I183-F392 HydrophobicContact CG1-CZ 3.72Å; I183-H415 PolarHBondContact N-NE2 2.97Å
184S91.9Very high93.4Very high33 Ų3338.4 Ų38.423%0.23119%0.188CC..EExtended strand (participates in β ladder)trans-128.2167.5176.3-176.10000111K186 G187 Y189 H205S184-K186 PolarHBondContact O-N 2.88Å; S184-G187 WeakPolarHBondContact CB-O 3.42Å; S184-G187 PolarHBondContact N-O 2.79Å; S184-G187 PolarHBondContact O-N 2.9Å; S184-Y189 VanDerWaalsContact CB-CE2 3.48Å; S184-H205 PolarHBondContact O-NE2 2.97Å
185I90.9Very high93.2Very high169 Ų16940.7 Ų40.787%0.86720%0.198SC*.THydrogen-bonded Turntrans-58.5-33.1172.2-56.6170.9000111.1H205I185-H205 PolarHBondContact O-CD2 3.44Å
186K88.7Confident93Very high152 Ų15241.6 Ų41.666%0.66121%0.213SC*.THydrogen-bonded Turntrans-74.1-28.4179.7-63.9-176.8-177.7175.20113.3S184S184-K186 PolarHBondContact O-N 2.88Å
187G92.5Very high92.9Very high0 Ų040 Ų400%021%0.207CC..EExtended strand (participates in β ladder)trans152.9-168.2-170.600000112.5S184 M203 H205S184-G187 WeakPolarHBondContact CB-O 3.42Å; S184-G187 PolarHBondContact N-O 2.79Å; S184-G187 PolarHBondContact O-N 2.9Å; G187-M203 CarbonylContact C-O 3.54Å; G187-M203 VanDerWaalsContact CA-O 3.29Å; G187-M203 WeakPolarHBondContact CA-O 3.38Å; G187-H205 WeakPolarHBondContact CA-NE2 3.39Å
188F94.4Very high92.9Very high14 Ų1443.7 Ų43.76%0.06123%0.23CC..EExtended strand (participates in β ladder)trans-94.7118.7175.6-51.8-86.2000109.7I183 I202 M203 H205 P333 A336 F392I183-F188 HydrophobicContact CB-CD1 4.49Å; I183-F188 HydrophobicContact CD1-CE1 4.5Å; I183-F188 HydrophobicContact CG1-CD1 4.05Å; I183-F188 HydrophobicContact CG1-CE1 4.17Å; I183-F188 HydrophobicContact CG2-CD1 4.24Å; I183-F188 HydrophobicContact CG2-CE1 4Å; F188-I202 CarbonylContact O-C 3.45Å; F188-I202 WeakPolarHBondContact O-CA 3.2Å; F188-M203 HydrophobicContact CB-CB 4.3Å; F188-M203 HydrophobicContact CD2-CB 4.45Å; F188-M203 PolarHBondContact N-O 3.48Å; F188-M203 PolarHBondContact O-N 2.94Å; F188-H205 AromaticContact CE1-CE1 3.96Å; F188-H205 AromaticContact CE2-CE1 3.49Å; F188-H205 VanDerWaalsContact CE2-CE1 3.49Å; F188-H205 WeakPolarHBondContact CE2-CE1 3.5Å; F188-H205 AromaticContact CE2-ND1 3.21Å; F188-H205 WeakPolarHBondContact CE2-ND1 3.4Å; F188-H205 AromaticContact CZ-CE1 3.4Å; F188-H205 VanDerWaalsContact CZ-CE1 3.4Å; F188-H205 WeakPolarHBondContact CZ-CE1 3.28Å; F188-H205 AromaticContact CZ-ND1 3.43Å; F188-H205 WeakPolarHBondContact CZ-ND1 3.42Å; F188-P333 HydrophobicContact CE1-CB 4.3Å; F188-P333 HydrophobicContact CE1-CG 3.94Å; F188-P333 HydrophobicContact CE2-CB 4.02Å; F188-P333 HydrophobicContact CZ-CB 3.49Å; F188-P333 VanDerWaalsContact CZ-CB 3.49Å; F188-P333 HydrophobicContact CZ-CG 3.55Å; F188-A336 HydrophobicContact CB-CB 4.27Å; F188-A336 HydrophobicContact CD1-CB 3.97Å; F188-A336 HydrophobicContact CD2-CB 3.94Å; F188-A336 HydrophobicContact CE1-CB 4.33Å; F188-A336 HydrophobicContact CE2-CB 4.3Å; F188-A336 HydrophobicContact CG-CB 3.78Å; F188-A336 HydrophobicContact CZ-CB 4.5Å; F188-F392 HydrophobicContact CD1-CE1 4.01Å; F188-F392 AromaticContact CD1-CZ 3.67Å; F188-F392 HydrophobicContact CD1-CZ 3.67Å; F188-F392 HydrophobicContact CE1-CZ 4.05Å
189Y95.6Very high92.8Very high20 Ų2043.7 Ų43.78%0.07823%0.23CC..EExtended strand (participates in β ladder)trans-84.5125.9170.1-69-103.6000107.9A181 F182 S184 I202 L429A181-Y189 CarbonylContact C-O 3.6Å; A181-Y189 WeakPolarHBondContact CA-O 3.43Å; F182-Y189 HydrophobicContact CD1-CD2 4.19Å; F182-Y189 PolarHBondContact N-O 3.03Å; F182-Y189 PolarHBondContact O-N 3.22Å; S184-Y189 VanDerWaalsContact CB-CE2 3.48Å; Y189-I202 HydrophobicContact CD1-CD1 4.16Å; Y189-I202 HydrophobicContact CD1-CG1 3.71Å; Y189-I202 HydrophobicContact CE1-CD1 3.41Å; Y189-I202 VanDerWaalsContact CE1-CD1 3.41Å; Y189-I202 HydrophobicContact CE1-CG1 3.51Å; Y189-I202 HydrophobicContact CG-CG1 4.33Å; Y189-L429 HydrophobicContact CE1-CD2 3.92Å
190V95.5Very high92.9Very high0 Ų043 Ų430%023%0.231CC..EExtended strand (participates in β ladder)trans-127.3131.9176.8-176.90000108.2V178 V200 W201 M203 L339V178-V190 HydrophobicContact CG1-CG1 4.11Å; V178-V190 HydrophobicContact CG2-CG1 4.32Å; V190-V200 WeakPolarHBondContact O-CA 3.45Å; V190-W201 HydrophobicContact CB-CD2 4.46Å; V190-W201 HydrophobicContact CB-CH2 4.35Å; V190-W201 HydrophobicContact CB-CZ2 3.86Å; V190-W201 HydrophobicContact CG1-CH2 3.84Å; V190-W201 HydrophobicContact CG1-CZ2 3.63Å; V190-W201 PolarHBondContact N-O 2.94Å; V190-W201 PolarHBondContact O-N 2.96Å; V190-M203 HydrophobicContact CG2-SD 4.4Å; V190-L339 HydrophobicContact CG1-CD2 4.2Å; V190-L339 HydrophobicContact CG2-CD2 4.35Å
191Q95.3Very high92.9Very high30 Ų3040.3 Ų40.314%0.1422%0.219CC..EExtended strand (participates in β ladder)trans-109125.5170.5-177.2-179.6-17.700109.2R179 K180 P198 V199 V200 F419R179-Q191 PolarHBondContact N-O 3.05Å; K180-Q191 HydrophobicContact CB-CB 4.03Å; K180-Q191 PolarHBondContact N-O 2.72Å; K180-Q191 PolarHBondContact O-N 3.17Å; Q191-P198 HydrophobicContact CG-CB 4.34Å; Q191-V199 WeakPolarHBondContact CA-O 3.39Å; Q191-V200 HydrophobicContact CB-CG2 4.02Å; Q191-V200 HydrophobicContact CG-CG2 3.87Å; Q191-F419 HydrophobicContact CB-CE1 4.11Å; Q191-F419 HydrophobicContact CB-CZ 4.31Å
192A94.8Very high92.9Very high0 Ų042.5 Ų42.50%023%0.23CC..EExtended strand (participates in β ladder)trans-121.614516700000111.4V172 A177 V199 W201V172-A192 HydrophobicContact CG1-CB 3.96Å; V172-A192 HydrophobicContact CG2-CB 4.35Å; A177-A192 HydrophobicContact CB-CB 3.93Å; A177-A192 CarbonylContact O-C 3.59Å; A177-A192 WeakPolarHBondContact O-CA 3.19Å; A177-A192 WeakPolarHBondContact O-CB 3.22Å; A192-V199 PolarHBondContact N-O 2.77Å; A192-V199 PolarHBondContact O-N 2.79Å; A192-W201 HydrophobicContact CB-CH2 3.53Å; A192-W201 HydrophobicContact CB-CZ3 3.6Å
193E93.3Very high92.8Very high70 Ų7041 Ų4133%0.32722%0.224SC..EExtended strand (participates in β ladder)trans-97.3109.8177.9-173.5-175.9-171.900109.5A177 R179A177-E193 WeakPolarHBondContact CB-O 3.42Å; A177-E193 PolarHBondContact O-N 3.26Å; R179-E193 HydrophobicContact CG-CB 4.04Å; R179-E193 IonicContact CZ-OE2 3.92Å; R179-E193 IonicContact NE-OE2 2.66Å; R179-E193 PolarHBondContact NE-OE2 3.14Å; R179-E193 IonicContact NH2-OE2 3.23Å; R179-E193 PolarHBondContact NH2-OE2 3.05Å
194I92.2Very high92.8Very high14 Ų1440.3 Ų40.37%0.07222%0.223CC..EExtended strand (participates in β ladder)trans-115.6119.8-178.7-55.6177000107.6L131 F168 G196 I197 V199 L238L131-I194 HydrophobicContact CD1-CG2 4.35Å; L131-I194 HydrophobicContact CD2-CG2 4.11Å; F168-I194 HydrophobicContact CE2-CD1 3.72Å; F168-I194 HydrophobicContact CZ-CD1 4.07Å; I194-G196 PolarHBondContact O-N 3.32Å; I194-I197 PolarHBondContact N-O 2.83Å; I194-I197 PolarHBondContact O-N 3.4Å; I194-V199 HydrophobicContact CD1-CG2 4.33Å; I194-L238 HydrophobicContact CG2-CD1 4.22Å; I194-L238 HydrophobicContact CG2-CD2 4.02Å
195D87.9Confident92.7Very high67 Ų6741.6 Ų41.636%0.35823%0.225SC..THydrogen-bonded Turntrans51.435.2-175.2-59.1-52.8000113.9R127 L131 I197 L238R127-D195 IonicContact CZ-OD1 2.81Å; R127-D195 IonicContact CZ-OD2 2.89Å; R127-D195 IonicContact NE-OD2 2.84Å; R127-D195 IonicContact NH1-OD1 2.75Å; R127-D195 PolarHBondContact NH1-OD1 3Å; R127-D195 IonicContact NH1-OD2 2.73Å; R127-D195 PolarHBondContact NH1-OD2 3.28Å; R127-D195 IonicContact NH2-OD1 2.7Å; R127-D195 IonicContact NH2-OD2 3.57Å; L131-D195 HydrophobicContact CD1-CB 4.08Å; L131-D195 WeakPolarHBondContact CD1-OD2 3.33Å; D195-I197 PolarHBondContact O-N 2.83Å; D195-L238 WeakPolarHBondContact OD2-CD2 3.5Å
196G87.1Confident92.3Very high53 Ų5338.1 Ų38.155%0.54622%0.221SC..THydrogen-bonded Turntrans77.20.9-177.300000114.9I194I194-G196 PolarHBondContact O-N 3.32Å
197I91.4Very high91.8Very high27 Ų2735 Ų3514%0.13822%0.218CC..EExtended strand (participates in β ladder)trans-97123.5175.1-61.3170.2000108.6Q128 L131 R132 I194 D195 V199Q128-I197 HydrophobicContact CB-CD1 4.14Å; Q128-I197 HydrophobicContact CG-CD1 4.34Å; L131-I197 HydrophobicContact CB-CD1 3.76Å; L131-I197 HydrophobicContact CD1-CD1 4.25Å; R132-I197 HydrophobicContact CG-CD1 4.31Å; I194-I197 PolarHBondContact N-O 2.83Å; I194-I197 PolarHBondContact O-N 3.4Å; D195-I197 PolarHBondContact O-N 2.83Å; I197-V199 PolarHBondContact O-N 3.33Å
198P93Very high90.7Very high79 Ų7942.2 Ų42.251%0.51326%0.263SS..EExtended strand (participates in β ladder)trans-73.2118.5173.529.9-33.1000110Q191Q191-P198 HydrophobicContact CG-CB 4.34Å
199V94.2Very high89.6Confident3 Ų345.5 Ų45.52%0.01828%0.284CS..EExtended strand (participates in β ladder)trans-107.3120.7174.8-178.50000108.2I134 L138 Q191 A192 I194 I197 W201I134-V199 HydrophobicContact CG2-CB 4.3Å; I134-V199 HydrophobicContact CG2-CG1 3.49Å; I134-V199 VanDerWaalsContact CG2-CG1 3.49Å; I134-V199 HydrophobicContact CG2-CG2 3.74Å; L138-V199 HydrophobicContact CD1-CG1 3.69Å; Q191-V199 WeakPolarHBondContact CA-O 3.39Å; A192-V199 PolarHBondContact N-O 2.77Å; A192-V199 PolarHBondContact O-N 2.79Å; I194-V199 HydrophobicContact CD1-CG2 4.33Å; I197-V199 PolarHBondContact O-N 3.33Å; V199-W201 HydrophobicContact CG1-CE3 4.05Å; V199-W201 HydrophobicContact CG1-CZ3 4.39Å; V199-W201 WeakPolarHBondContact O-CZ3 3.26Å
200V94.1Very high88.7Confident29 Ų2952 Ų5218%0.17632%0.315CS..EExtended strand (participates in β ladder)trans-108.6133176.4-175.90000108.9S135 V190 Q191 F419S135-V200 WeakPolarHBondContact CB-O 3.4Å; S135-V200 PolarHBondContact OG-O 3.39Å; V190-V200 WeakPolarHBondContact O-CA 3.45Å; Q191-V200 HydrophobicContact CB-CG2 4.02Å; Q191-V200 HydrophobicContact CG-CG2 3.87Å; V200-F419 HydrophobicContact CG1-CE1 4.46Å; V200-F419 HydrophobicContact CG1-CZ 4.5Å; V200-F419 HydrophobicContact CG2-CE1 4.3Å
201W95Very high88.1Confident1 Ų153.7 Ų53.70%0.00433%0.325CS..EExtended strand (participates in β ladder)trans-141.1162.6172.16894.7000111L138 N139 F142 F168 L169 V172 V190 A192 V199 L339L138-W201 HydrophobicContact CB-CB 4.05Å; L138-W201 HydrophobicContact CD1-CB 4.49Å; L138-W201 HydrophobicContact CD1-CE3 4.47Å; N139-W201 VanDerWaalsContact OD1-CA 3.31Å; N139-W201 WeakPolarHBondContact OD1-CA 3.41Å; F142-W201 AromaticContact CD2-CD1 3.65Å; F142-W201 HydrophobicContact CD2-CG 4.34Å; F142-W201 AromaticContact CE2-CD1 3.28Å; F142-W201 AromaticContact CE2-CG 3.99Å; F142-W201 HydrophobicContact CE2-CG 3.99Å; F142-W201 AromaticContact CE2-NE1 3.6Å; F142-W201 AromaticContact CZ-CD1 3.89Å; F142-W201 AromaticContact CZ-NE1 3.77Å; F168-W201 AromaticContact CE1-CD2 3.91Å; F168-W201 HydrophobicContact CE1-CD2 3.91Å; F168-W201 AromaticContact CE1-CE2 3.77Å; F168-W201 AromaticContact CE1-CE3 3.96Å; F168-W201 HydrophobicContact CE1-CE3 3.96Å; F168-W201 AromaticContact CE1-CH2 3.74Å; F168-W201 HydrophobicContact CE1-CH2 3.74Å; F168-W201 AromaticContact CE1-CZ2 3.69Å; F168-W201 HydrophobicContact CE1-CZ2 3.69Å; F168-W201 AromaticContact CE1-CZ3 3.88Å; F168-W201 HydrophobicContact CE1-CZ3 3.88Å; F168-W201 HydrophobicContact CZ-CD2 4.48Å; F168-W201 HydrophobicContact CZ-CE3 4.09Å; F168-W201 HydrophobicContact CZ-CH2 4.01Å; F168-W201 HydrophobicContact CZ-CZ2 4.43Å; F168-W201 AromaticContact CZ-CZ3 3.84Å; F168-W201 HydrophobicContact CZ-CZ3 3.84Å; L169-W201 HydrophobicContact CD2-CZ2 4.46Å; V172-W201 HydrophobicContact CG1-CH2 4.26Å; V172-W201 HydrophobicContact CG2-CH2 4.02Å; V190-W201 HydrophobicContact CB-CD2 4.46Å; V190-W201 HydrophobicContact CB-CH2 4.35Å; V190-W201 HydrophobicContact CB-CZ2 3.86Å; V190-W201 HydrophobicContact CG1-CH2 3.84Å; V190-W201 HydrophobicContact CG1-CZ2 3.63Å; V190-W201 PolarHBondContact N-O 2.94Å; V190-W201 PolarHBondContact O-N 2.96Å; A192-W201 HydrophobicContact CB-CH2 3.53Å; A192-W201 HydrophobicContact CB-CZ3 3.6Å; V199-W201 HydrophobicContact CG1-CE3 4.05Å; V199-W201 HydrophobicContact CG1-CZ3 4.39Å; V199-W201 WeakPolarHBondContact O-CZ3 3.26Å; W201-L339 HydrophobicContact CZ2-CD2 4.35Å
202I94.4Very high87.7Confident46 Ų4654.8 Ų54.824%0.23634%0.335CS..EExtended strand (participates in β ladder)trans-109.1125.2179.2-53.8173.1000108.7N139 F188 Y189 P204N139-I202 PolarHBondContact OD1-N 2.63Å; F188-I202 CarbonylContact O-C 3.45Å; F188-I202 WeakPolarHBondContact O-CA 3.2Å; Y189-I202 HydrophobicContact CD1-CD1 4.16Å; Y189-I202 HydrophobicContact CD1-CG1 3.71Å; Y189-I202 HydrophobicContact CE1-CD1 3.41Å; Y189-I202 VanDerWaalsContact CE1-CD1 3.41Å; Y189-I202 HydrophobicContact CE1-CG1 3.51Å; Y189-I202 HydrophobicContact CG-CG1 4.33Å; I202-P204 WeakPolarHBondContact O-CD 3.25Å
203M93.2Very high87.1Confident7 Ų761.1 Ų61.13%0.03437%0.373CS..EExtended strand (participates in β ladder)trans-95.2110.9166.9-64.2175.859.800108.6F142 L169 G187 F188 V190 E335 L339F142-M203 HydrophobicContact CD1-CG 4.16Å; F142-M203 HydrophobicContact CE1-CG 4.01Å; F142-M203 HydrophobicContact CZ-CG 4.35Å; L169-M203 HydrophobicContact CD1-CE 4.36Å; L169-M203 HydrophobicContact CD2-SD 4.29Å; G187-M203 CarbonylContact C-O 3.54Å; G187-M203 VanDerWaalsContact CA-O 3.29Å; G187-M203 WeakPolarHBondContact CA-O 3.38Å; F188-M203 HydrophobicContact CB-CB 4.3Å; F188-M203 HydrophobicContact CD2-CB 4.45Å; F188-M203 PolarHBondContact N-O 3.48Å; F188-M203 PolarHBondContact O-N 2.94Å; V190-M203 HydrophobicContact CG2-SD 4.4Å; M203-E335 HydrophobicContact CE-CB 4Å; M203-L339 HydrophobicContact SD-CD2 4.03Å
204P92.8Very high86.9Confident33 Ų3364.2 Ų64.221%0.21439%0.392CS..EExtended strand (participates in β ladder)trans-61.1147.3178.5-21.432.5000111.8K146 I202K146-P204 HydrophobicContact CG-CB 4.4Å; I202-P204 WeakPolarHBondContact O-CD 3.25Å
205H90.8Very high86.7Confident59 Ų5966 Ų6627%0.27340%0.404SS..  trans-59.9146.9170.1-70.5-57.5000110.8S184 I185 G187 F188 S207S184-H205 PolarHBondContact O-NE2 2.97Å; I185-H205 PolarHBondContact O-CD2 3.44Å; G187-H205 WeakPolarHBondContact CA-NE2 3.39Å; F188-H205 AromaticContact CE1-CE1 3.96Å; F188-H205 AromaticContact CE2-CE1 3.49Å; F188-H205 VanDerWaalsContact CE2-CE1 3.49Å; F188-H205 WeakPolarHBondContact CE2-CE1 3.5Å; F188-H205 AromaticContact CE2-ND1 3.21Å; F188-H205 WeakPolarHBondContact CE2-ND1 3.4Å; F188-H205 AromaticContact CZ-CE1 3.4Å; F188-H205 VanDerWaalsContact CZ-CE1 3.4Å; F188-H205 WeakPolarHBondContact CZ-CE1 3.28Å; F188-H205 AromaticContact CZ-ND1 3.43Å; F188-H205 WeakPolarHBondContact CZ-ND1 3.42Å; H205-S207 PolarHBondContact O-N 3.45Å
206A82.9Confident86.7Confident96 Ų9665 Ų6579%0.79340%0.398SS*.SBendtrans-72.924.8-176.300000114.7
207S77.7Confident86.8Confident86 Ų8663 Ų6360%0.60137%0.374SS*.SBendtrans-84.9145.8-176.4-60.50000111.6H205 T209H205-S207 PolarHBondContact O-N 3.45Å; S207-T209 PolarHBondContact O-N 3.09Å
208V69.1Low86.6Confident153 Ų15364.7 Ų64.793%0.92738%0.379SS*.  trans-69.3103.7174.4-176.80000108.8
209T71.1Confident86.5Confident83 Ų8363.7 Ų63.751%0.50937%0.369SS..  trans-85137.9174.456.20000110.6S207 T211S207-T209 PolarHBondContact O-N 3.09Å; T209-T211 PolarHBondContact O-N 3.29Å
210H77.9Confident86.3Confident157 Ų15765.9 Ų65.973%0.72738%0.38SS*.  trans-61.9123.6164.5173.4-86.5000109.1P212H210-P212 WeakPolarHBondContact O-CD 3.29Å
211T82.2Confident86.2Confident35 Ų3564.6 Ų64.622%0.21537%0.372CS..  trans-76.9110.4175.151.50000109.4L147 P148 L150 T209L147-T211 HydrophobicContact CD2-CG2 4.25Å; P148-T211 HydrophobicContact CG-CG2 3.42Å; P148-T211 VanDerWaalsContact CG-CG2 3.42Å; L150-T211 HydrophobicContact CD1-CG2 4.3Å; L150-T211 HydrophobicContact CD2-CG2 4.31Å; T209-T211 PolarHBondContact O-N 3.29Å
212P86.7Confident86.1Confident53 Ų5365 Ų6534%0.34438%0.375SS..  trans-69144.8-178.135.9-41.8000110.3H210 D214 V215 Y217H210-P212 WeakPolarHBondContact O-CD 3.29Å; P212-D214 VanDerWaalsContact CB-OD1 3.27Å; P212-D214 WeakPolarHBondContact CB-OD1 3.4Å; P212-V215 HydrophobicContact CG-CG2 3.9Å; P212-Y217 VanDerWaalsContact CD-OH 3.23Å; P212-Y217 WeakPolarHBondContact CD-OH 3.32Å; P212-Y217 VanDerWaalsContact O-CE2 3.31Å; P212-Y217 WeakPolarHBondContact O-CE2 3.44Å; P212-Y217 PolarHBondContact O-OH 2.92Å
213T83.2Confident86Confident132 Ų13264.5 Ų64.581%0.8138%0.375SS*.SBendtrans-90.7-13.7-172.748.10000113.9
214D87.9Confident86Confident135 Ų13564.1 Ų64.172%0.72237%0.373SS*.SBendtrans-74.1-24177.361.2-19.6000113.1P212P212-D214 VanDerWaalsContact CB-OD1 3.27Å; P212-D214 WeakPolarHBondContact CB-OD1 3.4Å
215V87.8Confident85.9Confident52 Ų5262.7 Ų62.732%0.31536%0.364SS..SBendtrans-78.3127.4178.7-177.90000111.7P212 Y217 L220P212-V215 HydrophobicContact CG-CG2 3.9Å; V215-Y217 HydrophobicContact CB-CE2 4.14Å; V215-Y217 HydrophobicContact CG1-CE1 4.46Å; V215-Y217 WeakPolarHBondContact O-CD2 3.41Å; V215-Y217 WeakPolarHBondContact O-CE2 3.27Å; V215-Y217 PolarHBondContact O-N 3.04Å; V215-Y217 VanDerWaalsContact O-N 3.14Å; V215-L220 HydrophobicContact CG1-CD1 3.52Å; V215-L220 HydrophobicContact CG1-CG 4.46Å
216D88.3Confident86.1Confident45 Ų4560.2 Ų60.224%0.24135%0.352CS..  trans-82.288.3173.4-167.1-5.6000111R218 I219 L220D216-R218 PolarHBondContact O-N 3.34Å; D216-R218 WeakPolarHBondContact OD1-CB 3.47Å; D216-R218 IonicContact OD1-CZ 3.03Å; D216-R218 PolarHBondContact OD1-N 2.87Å; D216-R218 IonicContact OD1-NE 3.98Å; D216-R218 PolarHBondContact OD1-NE 3.26Å; D216-R218 IonicContact OD1-NH2 3.56Å; D216-R218 IonicContact OD2-NE 3.87Å; D216-R218 IonicContact OD2-NH2 3.34Å; D216-I219 HydrophobicContact CB-CD1 4.21Å; D216-I219 HydrophobicContact CB-CG1 4.41Å; D216-I219 PolarHBondContact O-N 3.14Å; D216-I219 VanDerWaalsContact O-N 3.15Å; D216-L220 PolarHBondContact O-N 3.08Å
217Y89.2Confident86.6Confident12 Ų1256.3 Ų56.35%0.04732%0.318CS..Hα-helixtrans-63.8-12.5-179.7-57.6-93.7000113.6L147 L150 Q152 P212 V215 L220 A221L147-Y217 HydrophobicContact CD1-CD1 4.39Å; L147-Y217 HydrophobicContact CD1-CE1 4.24Å; L150-Y217 HydrophobicContact CD1-CD1 3.94Å; L150-Y217 HydrophobicContact CD1-CD2 4.15Å; L150-Y217 HydrophobicContact CD1-CE1 3.88Å; L150-Y217 HydrophobicContact CD1-CE2 4.11Å; L150-Y217 HydrophobicContact CD1-CG 4.07Å; Q152-Y217 VanDerWaalsContact OE1-CB 3.25Å; Q152-Y217 VanDerWaalsContact OE1-CD2 3.3Å; P212-Y217 VanDerWaalsContact CD-OH 3.23Å; P212-Y217 WeakPolarHBondContact CD-OH 3.32Å; P212-Y217 VanDerWaalsContact O-CE2 3.31Å; P212-Y217 WeakPolarHBondContact O-CE2 3.44Å; P212-Y217 PolarHBondContact O-OH 2.92Å; V215-Y217 HydrophobicContact CB-CE2 4.14Å; V215-Y217 HydrophobicContact CG1-CE1 4.46Å; V215-Y217 WeakPolarHBondContact O-CD2 3.41Å; V215-Y217 WeakPolarHBondContact O-CE2 3.27Å; V215-Y217 PolarHBondContact O-N 3.04Å; V215-Y217 VanDerWaalsContact O-N 3.14Å; Y217-L220 HydrophobicContact CD1-CD1 4.38Å; Y217-A221 WeakPolarHBondContact O-CB 3.42Å; Y217-A221 PolarHBondContact O-N 3.22Å
218R86.9Confident87.3Confident62 Ų6252.4 Ų52.423%0.23429%0.291CS..Hα-helixtrans-71.8-36.9175.6-61.4175.4-67.8-175.5-5.2112Q152 D216 T222Q152-R218 HydrophobicContact CB-CG 4.34Å; D216-R218 PolarHBondContact O-N 3.34Å; D216-R218 WeakPolarHBondContact OD1-CB 3.47Å; D216-R218 IonicContact OD1-CZ 3.03Å; D216-R218 PolarHBondContact OD1-N 2.87Å; D216-R218 IonicContact OD1-NE 3.98Å; D216-R218 PolarHBondContact OD1-NE 3.26Å; D216-R218 IonicContact OD1-NH2 3.56Å; D216-R218 IonicContact OD2-NE 3.87Å; D216-R218 IonicContact OD2-NH2 3.34Å; R218-T222 PolarHBondContact O-N 3.17Å; R218-T222 PolarHBondContact O-OG1 2.84Å
219I90.4Very high88.4Confident59 Ų5945.9 Ų45.930%0.30325%0.251SS..Hα-helixtrans-66.1-50.6174-67.3176.9000108.3I39 D216 A221 T222 C223I39-I219 HydrophobicContact CD1-CG2 3.81Å; D216-I219 HydrophobicContact CB-CD1 4.21Å; D216-I219 HydrophobicContact CB-CG1 4.41Å; D216-I219 PolarHBondContact O-N 3.14Å; D216-I219 VanDerWaalsContact O-N 3.15Å; I219-A221 VanDerWaalsContact C-N 3.32Å; I219-A221 PolarHBondContact O-N 3.24Å; I219-T222 WeakPolarHBondContact O-CA 3.33Å; I219-T222 VanDerWaalsContact O-CB 3.31Å; I219-T222 WeakPolarHBondContact O-CB 3.49Å; I219-T222 PolarHBondContact O-N 3.17Å; I219-C223 PolarHBondContact O-N 3.48Å; I219-C223 PolarHBondContact O-SG 3.48Å
220L91.4Very high89.5Confident48 Ų4842 Ų4225%0.25123%0.227SC..Hα-helixtrans-59.5-39.8178.2-64.8179.8000112.8L140 F144 V215 D216 Y217 T222 C223 L224L140-L220 HydrophobicContact CD1-CD2 4.23Å; F144-L220 HydrophobicContact CE2-CB 3.87Å; F144-L220 HydrophobicContact CZ-CB 3.69Å; V215-L220 HydrophobicContact CG1-CD1 3.52Å; V215-L220 HydrophobicContact CG1-CG 4.46Å; D216-L220 PolarHBondContact O-N 3.08Å; Y217-L220 HydrophobicContact CD1-CD1 4.38Å; L220-T222 PolarHBondContact O-N 3.44Å; L220-C223 WeakPolarHBondContact O-CB 3.33Å; L220-C223 PolarHBondContact O-N 2.87Å; L220-L224 WeakPolarHBondContact O-CB 3.38Å; L220-L224 PolarHBondContact O-N 2.82Å
221A91.8Very high90.3Very high2 Ų234.5 Ų34.52%0.01719%0.193CC..Hα-helixtrans-64.3-28.717600000112.8F153 L157 Y217 I219 E225F153-A221 HydrophobicContact CB-CB 3.74Å; F153-A221 HydrophobicContact CG-CB 4.43Å; L157-A221 HydrophobicContact CD1-CB 4.11Å; Y217-A221 WeakPolarHBondContact O-CB 3.42Å; Y217-A221 PolarHBondContact O-N 3.22Å; I219-A221 VanDerWaalsContact C-N 3.32Å; I219-A221 PolarHBondContact O-N 3.24Å; A221-E225 WeakPolarHBondContact O-CB 3.47Å; A221-E225 PolarHBondContact O-N 3.46Å; A221-E225 VanDerWaalsContact O-N 3.08Å
222T91.6Very high90.8Very high9 Ų933.6 Ų33.66%0.05519%0.191CC..Hα-helixtrans-74.2-42.2173.7-56.90000111.2R36 I39 L40 R218 I219 L220 E225 F226R36-T222 HydrophobicContact CB-CG2 4.22Å; R36-T222 HydrophobicContact CG-CG2 3.67Å; I39-T222 HydrophobicContact CB-CG2 4.04Å; I39-T222 HydrophobicContact CD1-CG2 4.17Å; I39-T222 HydrophobicContact CG2-CG2 3.87Å; L40-T222 HydrophobicContact CD2-CG2 4.28Å; L40-T222 HydrophobicContact CG-CG2 4.27Å; R218-T222 PolarHBondContact O-N 3.17Å; R218-T222 PolarHBondContact O-OG1 2.84Å; I219-T222 WeakPolarHBondContact O-CA 3.33Å; I219-T222 VanDerWaalsContact O-CB 3.31Å; I219-T222 WeakPolarHBondContact O-CB 3.49Å; I219-T222 PolarHBondContact O-N 3.17Å; L220-T222 PolarHBondContact O-N 3.44Å; T222-E225 PolarHBondContact O-N 2.79Å; T222-F226 PolarHBondContact O-N 3.36Å
223C93.2Very high91Very high36 Ų3632.7 Ų32.724%0.24319%0.186CC..Hα-helixtrans-58.4-50.6172.9-59.10000110I39 L140 I219 L220 E225 F226 D227I39-C223 HydrophobicContact CG2-CB 4.43Å; I39-C223 VanDerWaalsContact CG2-SG 3.56Å; L140-C223 HydrophobicContact CD2-CB 3.72Å; I219-C223 PolarHBondContact O-N 3.48Å; I219-C223 PolarHBondContact O-SG 3.48Å; L220-C223 WeakPolarHBondContact O-CB 3.33Å; L220-C223 PolarHBondContact O-N 2.87Å; C223-E225 VanDerWaalsContact C-N 3.27Å; C223-E225 PolarHBondContact O-N 3.19Å; C223-F226 WeakPolarHBondContact O-CA 3.41Å; C223-F226 WeakPolarHBondContact O-CB 3.49Å; C223-F226 PolarHBondContact O-N 2.89Å; C223-D227 VanDerWaalsContact O-CG 3.31Å; C223-D227 PolarHBondContact O-N 3.46Å; C223-D227 VanDerWaalsContact O-OD2 3.08Å
224L93.2Very high91.4Very high0 Ų026.7 Ų26.70%015%0.149CC..Hα-helixtrans-58.5-36.7178.6-178.570.5000113L140 L141 F144 L157 L220 F226 D227 A228L140-L224 HydrophobicContact CD2-CB 3.97Å; L140-L224 HydrophobicContact CG-CB 4.49Å; L140-L224 HydrophobicContact CG-CD1 4.36Å; L141-L224 HydrophobicContact CB-CD1 4.28Å; L141-L224 HydrophobicContact CG-CD1 4.39Å; F144-L224 HydrophobicContact CB-CD1 4.4Å; F144-L224 HydrophobicContact CB-CD2 3.81Å; F144-L224 HydrophobicContact CD1-CD2 3.42Å; F144-L224 VanDerWaalsContact CD1-CD2 3.42Å; F144-L224 HydrophobicContact CD2-CD1 4.46Å; F144-L224 HydrophobicContact CD2-CD2 3.99Å; F144-L224 HydrophobicContact CE1-CD2 3.85Å; F144-L224 HydrophobicContact CE2-CD2 4.38Å; F144-L224 HydrophobicContact CG-CD1 4.46Å; F144-L224 HydrophobicContact CG-CD2 3.48Å; F144-L224 VanDerWaalsContact CG-CD2 3.48Å; F144-L224 HydrophobicContact CG-CG 4.47Å; F144-L224 HydrophobicContact CZ-CD2 4.3Å; L157-L224 HydrophobicContact CB-CD2 4.14Å; L157-L224 HydrophobicContact CD2-CD2 4.24Å; L220-L224 WeakPolarHBondContact O-CB 3.38Å; L220-L224 PolarHBondContact O-N 2.82Å; L224-F226 VanDerWaalsContact C-N 3.31Å; L224-F226 PolarHBondContact O-N 3.48Å; L224-D227 PolarHBondContact O-N 2.9Å; L224-A228 WeakPolarHBondContact O-CB 3.47Å; L224-A228 PolarHBondContact O-N 3.37Å
225E91.3Very high91.7Very high2 Ų220.2 Ų20.21%0.00911%0.114CC..Hα-helixtrans-61.2-43175.8-174.9-176.3-157.100111.5R36 Y114 L116 A221 T222 C223 T229 L464 A465R36-E225 IonicContact CZ-OE2 2.85Å; R36-E225 IonicContact NE-OE2 3.65Å; R36-E225 IonicContact NH2-OE1 2.67Å; R36-E225 PolarHBondContact NH2-OE1 2.81Å; R36-E225 IonicContact NH2-OE2 3.41Å; R36-E225 PolarHBondContact NH2-OE2 2.7Å; Y114-E225 PolarHBondContact OH-OE1 2.94Å; Y114-E225 PolarHBondContact OH-OE2 3.26Å; L116-E225 HydrophobicContact CD1-CG 3.89Å; A221-E225 WeakPolarHBondContact O-CB 3.47Å; A221-E225 PolarHBondContact O-N 3.46Å; A221-E225 VanDerWaalsContact O-N 3.08Å; T222-E225 PolarHBondContact O-N 2.79Å; C223-E225 VanDerWaalsContact C-N 3.27Å; C223-E225 PolarHBondContact O-N 3.19Å; E225-T229 WeakPolarHBondContact O-CG2 3.24Å; E225-T229 PolarHBondContact O-N 3.45Å; E225-T229 PolarHBondContact O-OG1 3.02Å; E225-L464 HydrophobicContact CG-CB 4.2Å; E225-A465 WeakPolarHBondContact OE1-CA 3.24Å; E225-A465 PolarHBondContact OE1-N 3.45Å
226F93.3Very high91.9Very high8 Ų819.4 Ų19.44%0.03511%0.11CC..Hα-helixtrans-65.1-50.4173.8176-96.8000111.1L40 L116 I119 V120 R123 Y124 T222 C223 L224 A228 T229 L230L40-F226 HydrophobicContact CD2-CB 3.96Å; L116-F226 HydrophobicContact CD1-CB 4.46Å; I119-F226 HydrophobicContact CG2-CE2 4.16Å; V120-F226 HydrophobicContact CG2-CD2 4.22Å; V120-F226 HydrophobicContact CG2-CE2 3.69Å; V120-F226 HydrophobicContact CG2-CZ 4.23Å; R123-F226 VanDerWaalsContact CD-CZ 3.47Å; Y124-F226 HydrophobicContact CD2-CZ 4.37Å; Y124-F226 HydrophobicContact CE2-CE1 4.09Å; Y124-F226 AromaticContact CE2-CZ 3.9Å; Y124-F226 HydrophobicContact CE2-CZ 3.9Å; T222-F226 PolarHBondContact O-N 3.36Å; C223-F226 WeakPolarHBondContact O-CA 3.41Å; C223-F226 WeakPolarHBondContact O-CB 3.49Å; C223-F226 PolarHBondContact O-N 2.89Å; L224-F226 VanDerWaalsContact C-N 3.31Å; L224-F226 PolarHBondContact O-N 3.48Å; F226-A228 VanDerWaalsContact C-N 3.34Å; F226-A228 PolarHBondContact O-N 3.49Å; F226-T229 PolarHBondContact O-N 2.92Å; F226-T229 PolarHBondContact O-OG1 3.36Å; F226-L230 HydrophobicContact CE1-CD2 4.39Å; F226-L230 PolarHBondContact O-N 3.41Å
227D94Very high92Very high13 Ų1320.7 Ų20.77%0.0712%0.115CC..Hα-helixtrans-60.5-40.9-178.2-66.2-37.4000112.5S137 L140 C223 L224 T229 L230 I231S137-D227 WeakPolarHBondContact CB-OD1 3.17Å; S137-D227 PolarHBondContact OG-OD1 2.96Å; L140-D227 VanDerWaalsContact CD2-OD2 3.26Å; L140-D227 WeakPolarHBondContact CD2-OD2 3.41Å; C223-D227 VanDerWaalsContact O-CG 3.31Å; C223-D227 PolarHBondContact O-N 3.46Å; C223-D227 VanDerWaalsContact O-OD2 3.08Å; L224-D227 PolarHBondContact O-N 2.9Å; D227-T229 VanDerWaalsContact C-N 3.3Å; D227-T229 PolarHBondContact O-N 3.33Å; D227-L230 WeakPolarHBondContact O-CB 3.38Å; D227-L230 PolarHBondContact O-N 2.97Å; D227-I231 WeakPolarHBondContact O-CB 3.31Å; D227-I231 WeakPolarHBondContact O-CG1 3.18Å; D227-I231 PolarHBondContact O-N 2.97Å
228A93.3Very high92.2Very high5 Ų520.1 Ų20.14%0.04111%0.113CC..Hα-helixtrans-63.1-37175.400000111.9I160 L164 L224 F226 G232I160-A228 HydrophobicContact CG2-CB 4.2Å; L164-A228 HydrophobicContact CD1-CB 3.78Å; L164-A228 WeakPolarHBondContact CD1-O 3.32Å; L224-A228 WeakPolarHBondContact O-CB 3.47Å; L224-A228 PolarHBondContact O-N 3.37Å; F226-A228 VanDerWaalsContact C-N 3.34Å; F226-A228 PolarHBondContact O-N 3.49Å; A228-G232 PolarHBondContact O-N 3.09Å
229T92.4Very high92.5Very high15 Ų1517.2 Ų17.29%0.09210%0.101CC..Hα-helixtrans-72.8-37175.160.50000112.7L116 E225 F226 D227 S233 L464L116-T229 HydrophobicContact CB-CG2 4.19Å; L116-T229 HydrophobicContact CD1-CG2 4.22Å; E225-T229 WeakPolarHBondContact O-CG2 3.24Å; E225-T229 PolarHBondContact O-N 3.45Å; E225-T229 PolarHBondContact O-OG1 3.02Å; F226-T229 PolarHBondContact O-N 2.92Å; F226-T229 PolarHBondContact O-OG1 3.36Å; D227-T229 VanDerWaalsContact C-N 3.3Å; D227-T229 PolarHBondContact O-N 3.33Å; T229-S233 WeakPolarHBondContact O-CB 3.39Å; T229-S233 PolarHBondContact O-N 3.29Å; T229-S233 PolarHBondContact O-OG 3.39Å; T229-L464 HydrophobicContact CG2-CD1 4.38Å
230L93.7Very high92.6Very high1 Ų123.2 Ų23.21%0.00512%0.12CC..Hα-helixtrans-60.6-58.9173.4174.865.5000110.2V120 Y124 A130 F226 D227 G232 S233 L234V120-L230 HydrophobicContact CG1-CB 4.48Å; V120-L230 HydrophobicContact CG1-CD1 3.69Å; Y124-L230 HydrophobicContact CD2-CD1 3.66Å; Y124-L230 HydrophobicContact CD2-CD2 4.38Å; Y124-L230 HydrophobicContact CE2-CD1 4.09Å; Y124-L230 HydrophobicContact CE2-CD2 3.96Å; Y124-L230 HydrophobicContact CG-CD1 4.28Å; A130-L230 HydrophobicContact CB-CD1 4.17Å; F226-L230 HydrophobicContact CE1-CD2 4.39Å; F226-L230 PolarHBondContact O-N 3.41Å; D227-L230 WeakPolarHBondContact O-CB 3.38Å; D227-L230 PolarHBondContact O-N 2.97Å; L230-G232 PolarHBondContact O-N 3.48Å; L230-S233 PolarHBondContact O-N 3.08Å; L230-S233 VanDerWaalsContact O-N 3.14Å; L230-S233 PolarHBondContact O-OG 2.58Å; L230-L234 HydrophobicContact CD1-CD1 4.06Å; L230-L234 HydrophobicContact CD1-CG 4.41Å; L230-L234 HydrophobicContact CG-CD1 4.07Å; L230-L234 WeakPolarHBondContact O-CG 3.15Å; L230-L234 PolarHBondContact O-N 3.32Å
231I94.2Very high92.6Very high0 Ų024.5 Ų24.50%013%0.127CC..Hα-helixtrans-59.7-45.6-179.4-69.1169.6000110.5I134 L138 L141 L164 D227 S233 L234 M235I134-I231 HydrophobicContact CD1-CG1 4.44Å; I134-I231 HydrophobicContact CG1-CG1 4.09Å; L138-I231 HydrophobicContact CD2-CD1 3.93Å; L138-I231 HydrophobicContact CG-CD1 4.21Å; L141-I231 HydrophobicContact CB-CD1 4.43Å; L141-I231 HydrophobicContact CD1-CB 4.48Å; L141-I231 HydrophobicContact CD1-CD1 3.55Å; L141-I231 HydrophobicContact CD1-CG2 4.41Å; L164-I231 HydrophobicContact CB-CG2 4.45Å; D227-I231 WeakPolarHBondContact O-CB 3.31Å; D227-I231 WeakPolarHBondContact O-CG1 3.18Å; D227-I231 PolarHBondContact O-N 2.97Å; I231-S233 VanDerWaalsContact C-N 3.3Å; I231-S233 PolarHBondContact O-N 3.35Å; I231-L234 PolarHBondContact O-N 3.15Å; I231-M235 HydrophobicContact CG2-CE 4.27Å; I231-M235 HydrophobicContact CG2-CG 3.96Å; I231-M235 WeakPolarHBondContact O-CB 3.25Å; I231-M235 VanDerWaalsContact O-CG 3.26Å; I231-M235 WeakPolarHBondContact O-CG 3.38Å; I231-M235 PolarHBondContact O-N 3.18Å
232G92.3Very high92.5Very high17 Ų1727 Ų2718%0.17514%0.14CC..Hα-helixtrans-58.7-39.6177.400000113.4A228 L230 C236A228-G232 PolarHBondContact O-N 3.09Å; L230-G232 PolarHBondContact O-N 3.48Å; G232-C236 PolarHBondContact O-N 2.9Å
233S91.2Very high92.5Very high34 Ų3429.5 Ų29.524%0.23815%0.153CC..Hα-helixtrans-69.7-38.4176.171.30000112.9T229 L230 I231 H237T229-S233 WeakPolarHBondContact O-CB 3.39Å; T229-S233 PolarHBondContact O-N 3.29Å; T229-S233 PolarHBondContact O-OG 3.39Å; L230-S233 PolarHBondContact O-N 3.08Å; L230-S233 VanDerWaalsContact O-N 3.14Å; L230-S233 PolarHBondContact O-OG 2.58Å; I231-S233 VanDerWaalsContact C-N 3.3Å; I231-S233 PolarHBondContact O-N 3.35Å; S233-H237 PolarHBondContact O-N 3.04Å
234L92.8Very high92.4Very high5 Ų528.2 Ų28.23%0.02614%0.143CC..Hα-helixtrans-68.1-45175.8-69.4171.3000111.7R127 A130 I134 L230 I231 C236 H237 L238R127-L234 HydrophobicContact CG-CD2 4.38Å; A130-L234 HydrophobicContact CB-CD1 3.78Å; A130-L234 HydrophobicContact CB-CD2 3.53Å; A130-L234 HydrophobicContact CB-CG 4.15Å; I134-L234 HydrophobicContact CD1-CD1 3.8Å; I134-L234 HydrophobicContact CG1-CD1 4.18Å; L230-L234 HydrophobicContact CD1-CD1 4.06Å; L230-L234 HydrophobicContact CD1-CG 4.41Å; L230-L234 HydrophobicContact CG-CD1 4.07Å; L230-L234 WeakPolarHBondContact O-CG 3.15Å; L230-L234 PolarHBondContact O-N 3.32Å; I231-L234 PolarHBondContact O-N 3.15Å; L234-C236 VanDerWaalsContact C-N 3.34Å; L234-C236 PolarHBondContact O-N 3.26Å; L234-H237 PolarHBondContact O-N 3.37Å; L234-L238 WeakPolarHBondContact O-CG 3.44Å; L234-L238 PolarHBondContact O-N 3.35Å
235M92.7Very high92.3Very high0 Ų030.1 Ų30.10%016%0.155CC..Hα-helixtrans-58-47178.2-70.7-51.9108.700110.8I134 F168 L171 I231 H237 L238 Y239 Y246I134-M235 HydrophobicContact CD1-CE 4.21Å; F168-M235 HydrophobicContact CB-SD 4.22Å; F168-M235 HydrophobicContact CD2-CE 3.61Å; F168-M235 HydrophobicContact CD2-SD 3.88Å; F168-M235 HydrophobicContact CE2-CE 4.22Å; L171-M235 HydrophobicContact CD2-CE 4.23Å; L171-M235 HydrophobicContact CD2-SD 3.67Å; I231-M235 HydrophobicContact CG2-CE 4.27Å; I231-M235 HydrophobicContact CG2-CG 3.96Å; I231-M235 WeakPolarHBondContact O-CB 3.25Å; I231-M235 VanDerWaalsContact O-CG 3.26Å; I231-M235 WeakPolarHBondContact O-CG 3.38Å; I231-M235 PolarHBondContact O-N 3.18Å; M235-H237 PolarHBondContact O-N 2.83Å; M235-H237 VanDerWaalsContact O-N 3.14Å; M235-L238 HydrophobicContact CE-CD1 3.69Å; M235-L238 PolarHBondContact O-N 3.35Å; M235-Y239 HydrophobicContact CB-CD2 4.33Å; M235-Y239 HydrophobicContact CB-CE2 4.46Å; M235-Y239 WeakPolarHBondContact O-CB 3.41Å; M235-Y239 WeakPolarHBondContact O-CD2 3.08Å; M235-Y239 PolarHBondContact O-N 3.36Å; M235-Y239 HydrophobicContact SD-CE2 4.42Å; M235-Y246 HydrophobicContact CB-CE2 4.27Å
236C91.8Very high92.2Very high35 Ų3531.7 Ų31.724%0.23616%0.161CC..Hα-helixtrans-54.2-37.9176.7-175.80000112.6G232 L234 R240 Y246G232-C236 PolarHBondContact O-N 2.9Å; L234-C236 VanDerWaalsContact C-N 3.34Å; L234-C236 PolarHBondContact O-N 3.26Å; C236-R240 PolarHBondContact O-N 2.69Å; C236-Y246 HydrophobicContact CB-CD1 3.82Å; C236-Y246 HydrophobicContact CB-CE1 3.81Å; C236-Y246 HydrophobicContact CB-CG 4.49Å
237H91.9Very high91.9Very high71 Ų7133.5 Ų33.533%0.32917%0.174SC..Hα-helixtrans-78.7-44.8179.8-176.490.2000112.7R127 S233 L234 M235 R240 I241R127-H237 VanDerWaalsContact CD-CD2 3.42Å; R127-H237 WeakPolarHBondContact CD-CD2 3.29Å; S233-H237 PolarHBondContact O-N 3.04Å; L234-H237 PolarHBondContact O-N 3.37Å; M235-H237 PolarHBondContact O-N 2.83Å; M235-H237 VanDerWaalsContact O-N 3.14Å; H237-R240 WeakPolarHBondContact O-CB 3.09Å; H237-R240 PolarHBondContact O-N 2.82Å; H237-I241 VanDerWaalsContact CD2-CD1 3.48Å; H237-I241 WeakPolarHBondContact CD2-CD1 3.49Å; H237-I241 WeakPolarHBondContact NE2-CD1 3.36Å; H237-I241 PolarHBondContact O-N 2.87Å
238L92.9Very high91.7Very high1 Ų133.2 Ų33.21%0.00517%0.173CC..Hα-helixtrans-62.5-44178.3-68.4172.7000111.5L131 L171 I194 D195 L234 M235 R240 I241 N242L131-L238 HydrophobicContact CD2-CD1 4.31Å; L171-L238 HydrophobicContact CD1-CB 4.49Å; L171-L238 HydrophobicContact CD2-CB 3.76Å; L171-L238 HydrophobicContact CD2-CD1 3.8Å; L171-L238 HydrophobicContact CD2-CG 4.42Å; I194-L238 HydrophobicContact CG2-CD1 4.22Å; I194-L238 HydrophobicContact CG2-CD2 4.02Å; D195-L238 WeakPolarHBondContact OD2-CD2 3.5Å; L234-L238 WeakPolarHBondContact O-CG 3.44Å; L234-L238 PolarHBondContact O-N 3.35Å; M235-L238 HydrophobicContact CE-CD1 3.69Å; M235-L238 PolarHBondContact O-N 3.35Å; L238-R240 VanDerWaalsContact C-N 3.27Å; L238-R240 PolarHBondContact O-N 3.12Å; L238-I241 PolarHBondContact O-N 2.98Å; L238-N242 WeakPolarHBondContact O-CB 3.26Å; L238-N242 PolarHBondContact O-N 3.12Å; L238-N242 PolarHBondContact O-OD1 2.84Å
239Y93.8Very high91.3Very high0 Ų038.7 Ų38.70%020%0.196CC..Hα-helixtrans-56.6-44174.6-89.8-106000111.6E167 L171 M235 N242 N243 L244 Y246 P248 L280E167-Y239 PolarHBondContact O-OH 3.46Å; L171-Y239 HydrophobicContact CB-CD2 4.46Å; L171-Y239 HydrophobicContact CB-CE2 3.72Å; L171-Y239 HydrophobicContact CD1-CD2 3.91Å; L171-Y239 HydrophobicContact CD1-CE2 3.99Å; L171-Y239 HydrophobicContact CD1-CG 4.42Å; L171-Y239 HydrophobicContact CD2-CD2 4.4Å; L171-Y239 HydrophobicContact CD2-CE2 4.3Å; L171-Y239 HydrophobicContact CG-CD2 4.49Å; L171-Y239 HydrophobicContact CG-CE2 4.21Å; M235-Y239 HydrophobicContact CB-CD2 4.33Å; M235-Y239 HydrophobicContact CB-CE2 4.46Å; M235-Y239 WeakPolarHBondContact O-CB 3.41Å; M235-Y239 WeakPolarHBondContact O-CD2 3.08Å; M235-Y239 PolarHBondContact O-N 3.36Å; M235-Y239 HydrophobicContact SD-CE2 4.42Å; Y239-N242 PolarHBondContact O-N 3.27Å; Y239-N243 PolarHBondContact O-N 3.43Å; Y239-L244 HydrophobicContact CD1-CB 3.52Å; Y239-L244 HydrophobicContact CD1-CD1 4.13Å; Y239-L244 HydrophobicContact CD1-CG 4.47Å; Y239-L244 HydrophobicContact CE1-CB 4.2Å; Y239-L244 HydrophobicContact CE1-CD1 4.27Å; Y239-L244 HydrophobicContact CG-CB 4.21Å; Y239-L244 WeakPolarHBondContact O-CA 3.4Å; Y239-L244 WeakPolarHBondContact O-CB 3.49Å; Y239-L244 PolarHBondContact O-N 3.4Å; Y239-Y246 HydrophobicContact CD1-CD2 4.12Å; Y239-Y246 HydrophobicContact CD2-CD2 4.04Å; Y239-Y246 HydrophobicContact CE2-CD2 4.45Å; Y239-Y246 AromaticContact CG-CD2 3.85Å; Y239-Y246 HydrophobicContact CG-CD2 3.85Å; Y239-P248 HydrophobicContact CE1-CB 3.79Å; Y239-P248 HydrophobicContact CE1-CG 4.04Å; Y239-L280 HydrophobicContact CE1-CD1 3.75Å
240R92.1Very high91Very high185 Ų18538.8 Ų38.870%0.69820%0.196SC*.Hα-helixtrans-64.5-41.3178.5-177.6176.1176.1164.9-0.9112.3C236 H237 L238 N242 N243C236-R240 PolarHBondContact O-N 2.69Å; H237-R240 WeakPolarHBondContact O-CB 3.09Å; H237-R240 PolarHBondContact O-N 2.82Å; L238-R240 VanDerWaalsContact C-N 3.27Å; L238-R240 PolarHBondContact O-N 3.12Å; R240-N242 VanDerWaalsContact C-N 3.34Å; R240-N243 PolarHBondContact O-N 3Å
241I91.4Very high90.5Very high75 Ų7541.6 Ų41.639%0.38522%0.219SC..Hα-helixtrans-67.5-36.6178.8-75.1179.7000111.6R127 H237 L238 N243R127-I241 VanDerWaalsContact CZ-CD1 3.44Å; H237-I241 VanDerWaalsContact CD2-CD1 3.48Å; H237-I241 WeakPolarHBondContact CD2-CD1 3.49Å; H237-I241 WeakPolarHBondContact NE2-CD1 3.36Å; H237-I241 PolarHBondContact O-N 2.87Å; L238-I241 PolarHBondContact O-N 2.98Å; I241-N243 PolarHBondContact O-N 3.02Å
242N90.2Very high89.9Confident56 Ų5645 Ų4530%0.29924%0.239SC..THydrogen-bonded Turntrans-86.117.1179-68.182.6000113.3T175 L238 Y239 R240 L244T175-N242 HydrophobicContact CG2-CB 4.14Å; T175-N242 WeakPolarHBondContact CG2-ND2 3.39Å; L238-N242 WeakPolarHBondContact O-CB 3.26Å; L238-N242 PolarHBondContact O-N 3.12Å; L238-N242 PolarHBondContact O-OD1 2.84Å; Y239-N242 PolarHBondContact O-N 3.27Å; R240-N242 VanDerWaalsContact C-N 3.34Å; N242-L244 HydrophobicContact CB-CD1 4.15Å; N242-L244 HydrophobicContact CB-CG 4.39Å; N242-L244 PolarHBondContact O-N 2.79Å
243N91.4Very high89Confident60 Ų6055.6 Ų55.632%0.32127%0.274SS..THydrogen-bonded Turntrans55.833.2179.5-67.8-23.2000113.9Y239 R240 I241 R282 T283 E284Y239-N243 PolarHBondContact O-N 3.43Å; R240-N243 PolarHBondContact O-N 3Å; I241-N243 PolarHBondContact O-N 3.02Å; N243-R282 CarbonylContact O-C 3.47Å; N243-R282 WeakPolarHBondContact O-CA 3.49Å; N243-T283 PolarHBondContact O-N 3.33Å; N243-E284 HydrophobicContact CB-CB 4.3Å; N243-E284 PolarHBondContact ND2-OE2 2.98Å
244L90.7Very high87.9Confident9 Ų956.2 Ų56.25%0.04728%0.276CS..BIsolated β-bridgetrans-102.8147.8176.7-62.8166.8000110.7L171 A174 Y239 N242 L280 R282L171-L244 HydrophobicContact CD1-CD1 3.81Å; A174-L244 HydrophobicContact CB-CD1 3.9Å; A174-L244 HydrophobicContact CB-CD2 4.28Å; Y239-L244 HydrophobicContact CD1-CB 3.52Å; Y239-L244 HydrophobicContact CD1-CD1 4.13Å; Y239-L244 HydrophobicContact CD1-CG 4.47Å; Y239-L244 HydrophobicContact CE1-CB 4.2Å; Y239-L244 HydrophobicContact CE1-CD1 4.27Å; Y239-L244 HydrophobicContact CG-CB 4.21Å; Y239-L244 WeakPolarHBondContact O-CA 3.4Å; Y239-L244 WeakPolarHBondContact O-CB 3.49Å; Y239-L244 PolarHBondContact O-N 3.4Å; N242-L244 HydrophobicContact CB-CD1 4.15Å; N242-L244 HydrophobicContact CB-CG 4.39Å; N242-L244 PolarHBondContact O-N 2.79Å; L244-L280 HydrophobicContact CD1-CD1 4.26Å; L244-L280 HydrophobicContact CD2-CB 3.96Å; L244-L280 HydrophobicContact CD2-CD1 4.32Å; L244-R282 HydrophobicContact CD2-CG 3.7Å
245V90.9Very high86.4Confident40 Ų4064.4 Ų64.424%0.24231%0.314CS..  trans-77.7131.1175.8179.90000109.8P247 P248 K281V245-P247 CarbonylContact C-O 3.47Å; V245-P247 CarbonylContact O-C 3.1Å; V245-P247 VanDerWaalsContact O-C 3.31Å; V245-P248 WeakPolarHBondContact O-CA 3.43Å; V245-K281 HydrophobicContact CG2-CG 4.46Å; V245-K281 PolarHBondContact N-O 3.37Å
246Y88.7Confident85.1Confident35 Ų3567.5 Ų67.514%0.13733%0.329CS..SBendtrans-114.7130.6172.5-165.6-107.1000111.2E167 M235 C236 Y239 Y456E167-Y246 VanDerWaalsContact OE2-CE2 3.3Å; E167-Y246 WeakPolarHBondContact OE2-CE2 3.21Å; E167-Y246 PolarHBondContact OE2-OH 2.87Å; M235-Y246 HydrophobicContact CB-CE2 4.27Å; C236-Y246 HydrophobicContact CB-CD1 3.82Å; C236-Y246 HydrophobicContact CB-CE1 3.81Å; C236-Y246 HydrophobicContact CB-CG 4.49Å; Y239-Y246 HydrophobicContact CD1-CD2 4.12Å; Y239-Y246 HydrophobicContact CD2-CD2 4.04Å; Y239-Y246 HydrophobicContact CE2-CD2 4.45Å; Y239-Y246 AromaticContact CG-CD2 3.85Å; Y239-Y246 HydrophobicContact CG-CD2 3.85Å; Y246-Y456 AromaticContact CD1-CD1 3.79Å; Y246-Y456 HydrophobicContact CD1-CD1 3.79Å; Y246-Y456 AromaticContact CD1-CE1 3.68Å; Y246-Y456 HydrophobicContact CD1-CE1 3.68Å; Y246-Y456 HydrophobicContact CD1-CG 4.38Å; Y246-Y456 AromaticContact CE1-CD1 3.55Å; Y246-Y456 HydrophobicContact CE1-CD1 3.55Å; Y246-Y456 AromaticContact CE1-CE1 3.23Å; Y246-Y456 HydrophobicContact CE1-CE1 3.23Å
247P88.4Confident83.7Confident47 Ų4768.7 Ų68.731%0.30533%0.333SS..SBendcis-57.8151.1-7.7-28.638.8000113.9V245 K249 Y456V245-P247 CarbonylContact C-O 3.47Å; V245-P247 CarbonylContact O-C 3.1Å; V245-P247 VanDerWaalsContact O-C 3.31Å; P247-K249 PolarHBondContact O-N 3.08Å; P247-Y456 WeakPolarHBondContact CD-OH 3.4Å; P247-Y456 HydrophobicContact CG-CE2 4.18Å; P247-Y456 WeakPolarHBondContact CG-OH 3.13Å
248P88.2Confident82.3Confident7 Ų770.5 Ų70.55%0.04535%0.351CS..  trans-55.8137.5179.69.3-17.7000111.8E167 Y239 V245 M273 L280E167-P248 HydrophobicContact CB-CG 4.32Å; E167-P248 HydrophobicContact CG-CG 3.67Å; Y239-P248 HydrophobicContact CE1-CB 3.79Å; Y239-P248 HydrophobicContact CE1-CG 4.04Å; V245-P248 WeakPolarHBondContact O-CA 3.43Å; P248-M273 HydrophobicContact CB-CE 3.76Å; P248-M273 HydrophobicContact CG-CE 3.59Å; P248-L280 HydrophobicContact CB-CD1 4.38Å; P248-L280 HydrophobicContact CB-CD2 3.85Å
249K86.8Confident80.9Confident120 Ų12076.6 Ų76.652%0.52238%0.383SS..  trans-129.1142.9171.2-66.1178.9-178.3176.70107.8P247 K281P247-K249 PolarHBondContact O-N 3.08Å; K249-K281 HydrophobicContact CB-CB 4.42Å; K249-K281 WeakPolarHBondContact O-CB 3.4Å; K249-K281 PolarHBondContact O-N 3.08Å
250L85.6Confident79.3Confident17 Ų1777.8 Ų77.89%0.08940%0.396CS..BIsolated β-bridgetrans-68.9145.2172.9-59.3177.5000109.8V252 V254 L269 F272 M273 F278 L280L250-V252 VanDerWaalsContact C-N 3.32Å; L250-V254 HydrophobicContact CD1-CG2 3.95Å; L250-L269 HydrophobicContact CD1-CD1 4.07Å; L250-L269 HydrophobicContact CG-CD1 4.16Å; L250-F272 HydrophobicContact CD1-CB 3.75Å; L250-M273 HydrophobicContact CD1-CG 4.32Å; L250-M273 HydrophobicContact CD2-CG 3.76Å; L250-M273 HydrophobicContact CG-CG 3.96Å; L250-F278 HydrophobicContact CD1-CD2 4.39Å; L250-F278 HydrophobicContact CD2-CB 4.14Å; L250-L280 HydrophobicContact CD2-CD2 4.32Å
251A83.1Confident77.9Confident60 Ų6079.5 Ų79.550%0.49640%0.404SS..SBendtrans-69.9-35174.500000111.4P279A251-P279 HydrophobicContact CB-CG 4.35Å; A251-P279 WeakPolarHBondContact CB-O 3.14Å; A251-P279 PolarHBondContact N-O 3.38Å
252V82Confident76.4Confident70 Ų7081.3 Ų81.342%0.42441%0.407SS..SBendtrans-85.8134.9179.8-175.40000109.8L250 V254 F278L250-V252 VanDerWaalsContact C-N 3.32Å; V252-V254 PolarHBondContact O-N 3.09Å; V252-V254 VanDerWaalsContact O-N 3.16Å; V252-F278 HydrophobicContact CB-CD1 4.39Å; V252-F278 HydrophobicContact CG2-CD1 4.23Å
253R71.6Confident75Confident241 Ų24179.7 Ų79.791%0.90940%0.399SS*.  trans-73.6103.8166.4-72.4-174179.81781.8107.8E255R253-E255 PolarHBondContact O-N 2.84Å
254V69.4Low73.7Confident47 Ų4778.9 Ų78.929%0.28541%0.406SS..  trans-84.1109.9175.6-171.70000108.1L250 V252 F272 F278L250-V254 HydrophobicContact CD1-CG2 3.95Å; V252-V254 PolarHBondContact O-N 3.09Å; V252-V254 VanDerWaalsContact O-N 3.16Å; V254-F272 HydrophobicContact CB-CD2 4.23Å; V254-F272 HydrophobicContact CB-CE2 4.28Å; V254-F272 HydrophobicContact CB-CG 4.46Å; V254-F272 HydrophobicContact CB-CZ 4.5Å; V254-F272 HydrophobicContact CG1-CD1 3.8Å; V254-F272 HydrophobicContact CG1-CD2 3.76Å; V254-F272 HydrophobicContact CG1-CE1 3.43Å; V254-F272 VanDerWaalsContact CG1-CE1 3.43Å; V254-F272 HydrophobicContact CG1-CE2 3.44Å; V254-F272 VanDerWaalsContact CG1-CE2 3.44Å; V254-F272 HydrophobicContact CG1-CG 3.97Å; V254-F272 HydrophobicContact CG1-CZ 3.27Å; V254-F278 HydrophobicContact CG2-CD2 4.14Å; V254-F278 HydrophobicContact CG2-CE2 4.06Å
255E61.6Low72.3Confident177 Ų17786.3 Ų86.383%0.82744%0.44SS*.  trans-69.7130.2171.6-65.8-170.4168.900109.1R253 D257R253-E255 PolarHBondContact O-N 2.84Å; E255-D257 PolarHBondContact O-N 2.81Å
256H63.6Low70.9Confident64 Ų6494.1 Ų94.130%0.29647%0.471SS..  trans-72.3118.6174.5176.761.3000108.2P258 C263H256-P258 WeakPolarHBondContact O-CD 3.27Å; H256-P258 VanDerWaalsContact O-N 3.13Å; H256-C263 PolarHBondContact CE1-O 2.87Å
257D64.3Low69.9Low61 Ų6198.4 Ų98.433%0.32649%0.492SS..  trans-63110.3167.4-171.3-15.3000107.5E255 N259 G260 K352E255-D257 PolarHBondContact O-N 2.81Å; D257-N259 PolarHBondContact O-N 3.3Å; D257-N259 VanDerWaalsContact O-N 3.12Å; D257-N259 PolarHBondContact OD1-N 2.92Å; D257-N259 VanDerWaalsContact OD1-N 3.17Å; D257-G260 WeakPolarHBondContact O-CA 3.37Å; D257-G260 PolarHBondContact O-N 2.85Å; D257-K352 IonicContact OD2-NZ 3.46Å; D257-K352 PolarHBondContact OD2-NZ 2.92Å
258P60.5Low69.1Low108 Ų10897.2 Ų97.270%0.70148%0.484SS*.THydrogen-bonded Turntrans-64.7-16.8-176.526-32.4000112.5H256H256-P258 WeakPolarHBondContact O-CD 3.27Å; H256-P258 VanDerWaalsContact O-N 3.13Å
259N64.2Low68.6Low129 Ų129100.9 Ų100.969%0.6950%0.503SS*.THydrogen-bonded Turntrans-94.64.5173.9-65.6-26.6000112.7D257 Y261D257-N259 PolarHBondContact O-N 3.3Å; D257-N259 VanDerWaalsContact O-N 3.12Å; D257-N259 PolarHBondContact OD1-N 2.92Å; D257-N259 VanDerWaalsContact OD1-N 3.17Å; N259-Y261 WeakPolarHBondContact O-CD2 3.37Å; N259-Y261 PolarHBondContact O-N 3.35Å; N259-Y261 VanDerWaalsContact O-N 3.17Å
260G61.3Low68.4Low26 Ų2697.3 Ų97.327%0.26849%0.488SS..  trans-68.8108.7-18000000112D257 Y262D257-G260 WeakPolarHBondContact O-CA 3.37Å; D257-G260 PolarHBondContact O-N 2.85Å; G260-Y262 PolarHBondContact O-N 3.08Å; G260-Y262 VanDerWaalsContact O-N 3.11Å
261Y62.8Low68.3Low220 Ų22098.4 Ų98.486%0.86349%0.493SS*.THydrogen-bonded Turntrans-64.5-12.5178.4-71.9-86.9000114.7N259N259-Y261 WeakPolarHBondContact O-CD2 3.37Å; N259-Y261 PolarHBondContact O-N 3.35Å; N259-Y261 VanDerWaalsContact O-N 3.17Å
262Y59.1Low68.4Low114 Ų11496.8 Ų96.845%0.44747%0.474SS..THydrogen-bonded Turntrans-88.8-24.8-165.1-59-75.3000115G260 I353G260-Y262 PolarHBondContact O-N 3.08Å; G260-Y262 VanDerWaalsContact O-N 3.11Å; Y262-I353 WeakPolarHBondContact CE1-O 3.4Å; Y262-I353 VanDerWaalsContact OH-C 3.24Å; Y262-I353 WeakPolarHBondContact OH-CA 3.5Å; Y262-I353 PolarHBondContact OH-O 3.3Å
263C60.2Low68.6Low21 Ų2194.1 Ų94.114%0.14246%0.458CS..  trans-149134-166.4-149.80000114.5H256 E267 S268H256-C263 PolarHBondContact CE1-O 2.87Å; C263-E267 WeakPolarHBondContact SG-CB 3.42Å; C263-E267 PolarHBondContact SG-O 3.08Å; C263-S268 WeakPolarHBondContact SG-CA 3.38Å; C263-S268 PolarHBondContact SG-N 3.31Å
264G64Low69.4Low44 Ų4483.7 Ų83.745%0.45442%0.421SS..  trans-67.6150.7165.300000110.7K266 E267 S268G264-K266 PolarHBondContact O-N 2.84Å; G264-E267 PolarHBondContact O-N 3.07Å; G264-S268 PolarHBondContact O-N 3.5Å
265Q61.9Low70.3Confident164 Ų16482 Ų8277%0.76641%0.411SS*.THydrogen-bonded Turntrans-51.1-28.2-178.4-67.6177.9-4.700114.7S268Q265-S268 PolarHBondContact O-OG 2.96Å
266K61Low71.6Confident205 Ų20573.7 Ų73.789%0.89137%0.373SS*.THydrogen-bonded Turntrans-82.8-24-179.5-67.3-174.8178.8-179.70114.1G264G264-K266 PolarHBondContact O-N 2.84Å
267E67.9Low72.7Confident125 Ų12571 Ų7158%0.58436%0.361SS*.THydrogen-bonded Turntrans-101-10.2-175.5-68.8173.2177.600111.5C263 G264 L269 F270 E271C263-E267 WeakPolarHBondContact SG-CB 3.42Å; C263-E267 PolarHBondContact SG-O 3.08Å; G264-E267 PolarHBondContact O-N 3.07Å; E267-L269 PolarHBondContact O-N 3.33Å; E267-F270 WeakPolarHBondContact O-CB 3.22Å; E267-F270 PolarHBondContact O-N 2.9Å; E267-E271 PolarHBondContact O-N 3.16Å; E267-E271 VanDerWaalsContact O-N 3.07Å
268S71Confident73.8Confident21 Ų2169.9 Ų69.915%0.14735%0.353CS..Hα-helixtrans-56.3-50.2-174.461.60000111.9C263 G264 Q265 F270 E271 F272C263-S268 WeakPolarHBondContact SG-CA 3.38Å; C263-S268 PolarHBondContact SG-N 3.31Å; G264-S268 PolarHBondContact O-N 3.5Å; Q265-S268 PolarHBondContact O-OG 2.96Å; S268-F270 PolarHBondContact O-N 3.27Å; S268-E271 PolarHBondContact O-N 3.34Å; S268-F272 WeakPolarHBondContact O-CD2 3.3Å; S268-F272 PolarHBondContact O-N 3.5Å
269L77.5Confident75.1Confident84 Ų8467.8 Ų67.844%0.4434%0.34SS..Hα-helixtrans-57.1-39.9178.6-179.365.4000111.9L250 E267 F272 M273L250-L269 HydrophobicContact CD1-CD1 4.07Å; L250-L269 HydrophobicContact CG-CD1 4.16Å; E267-L269 PolarHBondContact O-N 3.33Å; L269-F272 PolarHBondContact O-N 3.24Å; L269-M273 HydrophobicContact CD1-CG 4.49Å; L269-M273 HydrophobicContact CD1-SD 4.25Å; L269-M273 HydrophobicContact CD2-SD 4.48Å; L269-M273 HydrophobicContact CG-SD 3.94Å; L269-M273 WeakPolarHBondContact O-CB 3.38Å; L269-M273 VanDerWaalsContact O-CG 3.27Å; L269-M273 WeakPolarHBondContact O-CG 3.49Å; L269-M273 PolarHBondContact O-N 3.14Å
270F83.4Confident76.4Confident45 Ų4562.3 Ų62.320%0.19731%0.311CS..Hα-helixtrans-66.3-47.8-178.8-174.8-100000111.4R162 R163 V166 E267 S268 F272 M273 S274R162-F270 HydrophobicContact CB-CZ 4.38Å; R162-F270 HydrophobicContact CG-CE1 3.95Å; R162-F270 HydrophobicContact CG-CZ 3.82Å; R163-F270 HydrophobicContact CB-CE2 4.14Å; R163-F270 HydrophobicContact CG-CE2 4.18Å; V166-F270 HydrophobicContact CB-CE2 4.09Å; V166-F270 HydrophobicContact CB-CZ 4.18Å; V166-F270 HydrophobicContact CG1-CE2 4.32Å; V166-F270 HydrophobicContact CG2-CE1 4.46Å; V166-F270 HydrophobicContact CG2-CE2 4.12Å; V166-F270 HydrophobicContact CG2-CZ 3.69Å; E267-F270 WeakPolarHBondContact O-CB 3.22Å; E267-F270 PolarHBondContact O-N 2.9Å; S268-F270 PolarHBondContact O-N 3.27Å; F270-F272 VanDerWaalsContact C-N 3.34Å; F270-F272 PolarHBondContact O-N 3.01Å; F270-M273 PolarHBondContact O-N 3.19Å; F270-M273 VanDerWaalsContact O-N 3.17Å; F270-S274 PolarHBondContact O-N 3.17Å; F270-S274 PolarHBondContact O-OG 3.43Å; F270-S274 VanDerWaalsContact O-OG 3.04Å
271E83.7Confident77.7Confident41 Ų4166.5 Ų66.519%0.19232%0.321CS..Hα-helixtrans-65.4-37.5178-63.4-61.7153.300111.7R162 E267 S268 M273 S274 S275 P356R162-E271 IonicContact CZ-OE1 2.68Å; R162-E271 VanDerWaalsContact CZ-OE1 3.3Å; R162-E271 IonicContact NH1-OE1 3.28Å; R162-E271 PolarHBondContact NH1-OE1 3.36Å; R162-E271 VanDerWaalsContact NH2-CD 3.31Å; R162-E271 IonicContact NH2-OE1 3.71Å; R162-E271 PolarHBondContact NH2-OE1 3.28Å; R162-E271 IonicContact NH2-OE2 3.54Å; R162-E271 PolarHBondContact NH2-OE2 3.3Å; R162-E271 VanDerWaalsContact NH2-OE2 3.08Å; E267-E271 PolarHBondContact O-N 3.16Å; E267-E271 VanDerWaalsContact O-N 3.07Å; S268-E271 PolarHBondContact O-N 3.34Å; E271-M273 VanDerWaalsContact C-N 3.34Å; E271-M273 PolarHBondContact O-N 3.36Å; E271-S274 PolarHBondContact O-N 3.03Å; E271-S275 PolarHBondContact O-N 2.86Å; E271-S275 VanDerWaalsContact O-N 3.09Å; E271-P356 HydrophobicContact CB-CG 3.8Å
272F85Confident78.9Confident26 Ų2660.7 Ų60.711%0.11430%0.298CS..Hα-helixtrans-63.1-39.3172.1-74.6-63.8000112.2L250 V254 S268 L269 F270 S275 F278 P356L250-F272 HydrophobicContact CD1-CB 3.75Å; V254-F272 HydrophobicContact CB-CD2 4.23Å; V254-F272 HydrophobicContact CB-CE2 4.28Å; V254-F272 HydrophobicContact CB-CG 4.46Å; V254-F272 HydrophobicContact CB-CZ 4.5Å; V254-F272 HydrophobicContact CG1-CD1 3.8Å; V254-F272 HydrophobicContact CG1-CD2 3.76Å; V254-F272 HydrophobicContact CG1-CE1 3.43Å; V254-F272 VanDerWaalsContact CG1-CE1 3.43Å; V254-F272 HydrophobicContact CG1-CE2 3.44Å; V254-F272 VanDerWaalsContact CG1-CE2 3.44Å; V254-F272 HydrophobicContact CG1-CG 3.97Å; V254-F272 HydrophobicContact CG1-CZ 3.27Å; S268-F272 WeakPolarHBondContact O-CD2 3.3Å; S268-F272 PolarHBondContact O-N 3.5Å; L269-F272 PolarHBondContact O-N 3.24Å; F270-F272 VanDerWaalsContact C-N 3.34Å; F270-F272 PolarHBondContact O-N 3.01Å; F272-S275 WeakPolarHBondContact O-CB 3.45Å; F272-S275 PolarHBondContact O-N 3.34Å; F272-S275 PolarHBondContact O-OG 3.31Å; F272-F278 HydrophobicContact CD1-CE2 4.11Å; F272-P356 HydrophobicContact CD1-CB 4.03Å; F272-P356 HydrophobicContact CE1-CB 3.62Å; F272-P356 HydrophobicContact CZ-CB 3.9Å
273M87.3Confident80.2Confident14 Ų1459.9 Ų59.97%0.06931%0.305CS..Hα-helixtrans-69.7-36.2174.5-73.5169.451.800112.6V166 N170 P248 L250 L269 F270 E271 S275 L276V166-M273 HydrophobicContact CG1-CB 3.82Å; V166-M273 HydrophobicContact CG1-CE 4.45Å; N170-M273 PolarHBondContact ND2-O 2.78Å; P248-M273 HydrophobicContact CB-CE 3.76Å; P248-M273 HydrophobicContact CG-CE 3.59Å; L250-M273 HydrophobicContact CD1-CG 4.32Å; L250-M273 HydrophobicContact CD2-CG 3.76Å; L250-M273 HydrophobicContact CG-CG 3.96Å; L269-M273 HydrophobicContact CD1-CG 4.49Å; L269-M273 HydrophobicContact CD1-SD 4.25Å; L269-M273 HydrophobicContact CD2-SD 4.48Å; L269-M273 HydrophobicContact CG-SD 3.94Å; L269-M273 WeakPolarHBondContact O-CB 3.38Å; L269-M273 VanDerWaalsContact O-CG 3.27Å; L269-M273 WeakPolarHBondContact O-CG 3.49Å; L269-M273 PolarHBondContact O-N 3.14Å; F270-M273 PolarHBondContact O-N 3.19Å; F270-M273 VanDerWaalsContact O-N 3.17Å; E271-M273 VanDerWaalsContact C-N 3.34Å; E271-M273 PolarHBondContact O-N 3.36Å; M273-S275 PolarHBondContact O-N 3Å; M273-L276 PolarHBondContact O-N 2.99Å
274S88.1Confident81.1Confident21 Ų2164.2 Ų64.215%0.14732%0.323CS..Hα-helixtrans-62.5-25173.7-610000112.4V166 F270 E271 L276V166-S274 VanDerWaalsContact CG2-OG 3.28Å; V166-S274 WeakPolarHBondContact CG2-OG 3.26Å; F270-S274 PolarHBondContact O-N 3.17Å; F270-S274 PolarHBondContact O-OG 3.43Å; F270-S274 VanDerWaalsContact O-OG 3.04Å; E271-S274 PolarHBondContact O-N 3.03Å; S274-L276 VanDerWaalsContact C-N 3.3Å; S274-L276 PolarHBondContact O-N 2.87Å
275S87.2Confident81.6Confident11 Ų1167.6 Ų67.68%0.07734%0.337CS..THydrogen-bonded Turntrans-74.2-17.2-179.885.90000114.2E271 F272 M273 S277 W350E271-S275 PolarHBondContact O-N 2.86Å; E271-S275 VanDerWaalsContact O-N 3.09Å; F272-S275 WeakPolarHBondContact O-CB 3.45Å; F272-S275 PolarHBondContact O-N 3.34Å; F272-S275 PolarHBondContact O-OG 3.31Å; M273-S275 PolarHBondContact O-N 3Å; S275-S277 PolarHBondContact O-N 2.93Å; S275-S277 PolarHBondContact OG-OG 3.32Å; S275-W350 WeakPolarHBondContact O-CH2 3.41Å
276L90.3Very high82Confident3 Ų364.3 Ų64.32%0.01632%0.324CS..  trans57.44.6178.8-54.6176.4000116L169 N170 V173 M273 S274 L339 R342L169-L276 HydrophobicContact CB-CD1 4.2Å; L169-L276 HydrophobicContact CB-CD2 3.89Å; L169-L276 HydrophobicContact CD1-CD1 4.41Å; N170-L276 HydrophobicContact CB-CD2 4.42Å; N170-L276 WeakPolarHBondContact ND2-CD2 3.45Å; V173-L276 HydrophobicContact CG2-CD1 4.47Å; M273-L276 PolarHBondContact O-N 2.99Å; S274-L276 VanDerWaalsContact C-N 3.3Å; S274-L276 PolarHBondContact O-N 2.87Å; L276-L339 HydrophobicContact CD1-CB 4.07Å; L276-L339 HydrophobicContact CD1-CD1 4.48Å; L276-R342 WeakPolarHBondContact O-CG 3.28Å; L276-R342 PolarHBondContact O-NE 3.3Å
277S86.6Confident82.1Confident8 Ų861.6 Ų61.66%0.05632%0.32CS..  trans-71.8-44.2-17656.60000112.3S275 R342 G357S275-S277 PolarHBondContact O-N 2.93Å; S275-S277 PolarHBondContact OG-OG 3.32Å; S277-R342 PolarHBondContact O-NE 3.17Å; S277-R342 PolarHBondContact O-NH2 2.69Å; S277-G357 VanDerWaalsContact CB-O 3.28Å; S277-G357 WeakPolarHBondContact CB-O 3.37Å; S277-G357 PolarHBondContact OG-O 3Å
278F86.4Confident81.9Confident37 Ų3761.5 Ų61.516%0.16232%0.323CS..SBendtrans-87.8142.5-174.9-59.3-68.2000113.4L250 V252 V254 F272 T359L250-F278 HydrophobicContact CD1-CD2 4.39Å; L250-F278 HydrophobicContact CD2-CB 4.14Å; V252-F278 HydrophobicContact CB-CD1 4.39Å; V252-F278 HydrophobicContact CG2-CD1 4.23Å; V254-F278 HydrophobicContact CG2-CD2 4.14Å; V254-F278 HydrophobicContact CG2-CE2 4.06Å; F272-F278 HydrophobicContact CD1-CE2 4.11Å; F278-T359 HydrophobicContact CE1-CG2 4.05Å; F278-T359 HydrophobicContact CZ-CG2 4.39Å
279P88.9Confident81.5Confident65 Ų6564.3 Ų64.342%0.42234%0.339SS..PPolyproline II helixtrans-69.4149.117528.9-33.7000112.1A251A251-P279 HydrophobicContact CB-CG 4.35Å; A251-P279 WeakPolarHBondContact CB-O 3.14Å; A251-P279 PolarHBondContact N-O 3.38Å
280L89.9Confident80.9Confident13 Ų1366.2 Ų66.27%0.06835%0.346CS..BIsolated β-bridgetrans-73.9151.8173.4-69.1-176.7000112.1N170 A174 Y239 L244 P248 L250 R282N170-L280 HydrophobicContact CB-CD1 3.9Å; N170-L280 HydrophobicContact CB-CD2 4.23Å; N170-L280 HydrophobicContact CB-CG 4.22Å; A174-L280 HydrophobicContact CB-CD1 4.2Å; Y239-L280 HydrophobicContact CE1-CD1 3.75Å; L244-L280 HydrophobicContact CD1-CD1 4.26Å; L244-L280 HydrophobicContact CD2-CB 3.96Å; L244-L280 HydrophobicContact CD2-CD1 4.32Å; P248-L280 HydrophobicContact CB-CD1 4.38Å; P248-L280 HydrophobicContact CB-CD2 3.85Å; L250-L280 HydrophobicContact CD2-CD2 4.32Å; L280-R282 PolarHBondContact O-N 3.46Å
281K88.9Confident80Confident114 Ų11465.3 Ų65.350%0.49634%0.344SS..PPolyproline II helixtrans-70.1119.2173.1-173.8174.3-178.9176.30110.4V245 K249V245-K281 HydrophobicContact CG2-CG 4.46Å; V245-K281 PolarHBondContact N-O 3.37Å; K249-K281 HydrophobicContact CB-CB 4.42Å; K249-K281 WeakPolarHBondContact O-CB 3.4Å; K249-K281 PolarHBondContact O-N 3.08Å
282R87.9Confident79Confident98 Ų9869 Ų6937%0.3737%0.365SS..BIsolated β-bridgetrans-90.3151.5172.5-68.3177.9172.8167.5-3.2111.3A174 N243 L244 L280 E284 L286A174-R282 PolarHBondContact O-NH2 3.36Å; N243-R282 CarbonylContact O-C 3.47Å; N243-R282 WeakPolarHBondContact O-CA 3.49Å; L244-R282 HydrophobicContact CD2-CG 3.7Å; L280-R282 PolarHBondContact O-N 3.46Å; R282-E284 WeakPolarHBondContact CB-O 2.99Å; R282-L286 VanDerWaalsContact NH1-CB 3.28Å
283T86.3Confident78.3Confident98 Ų9872.3 Ų72.360%0.60138%0.384SS*.SBendtrans-82.1-38.5173.3-54.20000110.6N243N243-T283 PolarHBondContact O-N 3.33Å
284E80.1Confident77.3Confident111 Ų11173 Ų7352%0.51939%0.388SS..SBendtrans-126.3147.3178.5-65.2177.9172.500109.7N243 R282N243-E284 HydrophobicContact CB-CB 4.3Å; N243-E284 PolarHBondContact ND2-OE2 2.98Å; R282-E284 WeakPolarHBondContact CB-O 2.99Å
285P74.5Confident76.4Confident115 Ų11575.2 Ų75.275%0.74740%0.401SS*.  trans-64.3148.7171.729-33.5000110.4
286L71Confident75.4Confident95 Ų9582.4 Ų82.450%0.49743%0.433SS..  trans-84.7129177.6-162.183.9000108.5R282 D288R282-L286 VanDerWaalsContact NH1-CB 3.28Å; L286-D288 WeakPolarHBondContact CD2-OD1 3.37Å; L286-D288 PolarHBondContact O-N 2.72Å
287N63Low74.2Confident148 Ų14886.7 Ų86.779%0.79146%0.455SS*.  trans-83.8108.7166.5-67.5-11.1000107.3V289N287-V289 PolarHBondContact O-N 3.32Å
288D63.3Low73Confident123 Ų12389.4 Ų89.466%0.65847%0.467SS*.PPolyproline II helixtrans-71.5118.5172.9-74.2-23000108.2L286 E290L286-D288 WeakPolarHBondContact CD2-OD1 3.37Å; L286-D288 PolarHBondContact O-N 2.72Å; D288-E290 PolarHBondContact O-N 3.04Å
289V62.6Low72Confident81 Ų8192.4 Ų92.449%0.49150%0.499SS..PPolyproline II helixtrans-72.6121.1169.4-1770000107.2N287 L294N287-V289 PolarHBondContact O-N 3.32Å; V289-L294 HydrophobicContact CG1-CG 4.44Å
290E63.7Low71.1Confident123 Ų12395.4 Ų95.458%0.57551%0.51SS*.PPolyproline II helixtrans-71.7142.5177.4-64.2-170.7164.400109.5D288 D292D288-E290 PolarHBondContact O-N 3.04Å; E290-D292 PolarHBondContact O-N 2.75Å
291V64.7Low70.4Confident27 Ų2798.8 Ų98.816%0.16453%0.528CS..Hα-helixtrans-70.3-25.7-175.7178.30000110.5D293 L294 T295 I312 Q315V291-D293 VanDerWaalsContact C-N 3.31Å; V291-D293 PolarHBondContact O-N 2.9Å; V291-L294 PolarHBondContact O-N 3.14Å; V291-L294 VanDerWaalsContact O-N 3.11Å; V291-T295 PolarHBondContact O-N 2.96Å; V291-T295 PolarHBondContact O-OG1 2.8Å; V291-I312 HydrophobicContact CG1-CG1 4.45Å; V291-Q315 HydrophobicContact CG2-CB 3.94Å; V291-Q315 HydrophobicContact CG2-CG 4.38Å
292D64.3Low69.9Low119 Ų119100.1 Ų100.164%0.63654%0.536SS*.Hα-helixtrans-61.6-41.2-179.3-62.9-12.9000110.5E290 L294 T295E290-D292 PolarHBondContact O-N 2.75Å; D292-L294 VanDerWaalsContact C-N 3.25Å; D292-L294 PolarHBondContact O-N 2.66Å; D292-T295 PolarHBondContact O-N 2.83Å
293D69.3Low69.5Low94 Ų94102.8 Ų102.850%0.50355%0.553SS.*Hα-helixtrans-60.6-30.7175.8-61.9-20.5000113.5V291V291-D293 VanDerWaalsContact C-N 3.31Å; V291-D293 PolarHBondContact O-N 2.9Å
294L67Low69.2Low29 Ų29100.9 Ų100.915%0.15254%0.541CS..Hα-helixtrans-79.7-29.7-177.9-65.5172.4000112.1V289 V291 D292 E296 L297 I308 Q311 Q315V289-L294 HydrophobicContact CG1-CG 4.44Å; V291-L294 PolarHBondContact O-N 3.14Å; V291-L294 VanDerWaalsContact O-N 3.11Å; D292-L294 VanDerWaalsContact C-N 3.25Å; D292-L294 PolarHBondContact O-N 2.66Å; L294-E296 VanDerWaalsContact C-N 3.34Å; L294-L297 PolarHBondContact O-N 2.91Å; L294-I308 HydrophobicContact CB-CG2 4.42Å; L294-I308 WeakPolarHBondContact O-CG2 3.26Å; L294-Q311 HydrophobicContact CD1-CG 3.94Å; L294-Q315 HydrophobicContact CD1-CG 4.43Å
295T68.6Low69.2Low67 Ų6797.8 Ų97.841%0.41153%0.531SS..Hα-helixtrans-70.8-33.8-175.3-49.50000110.8V291 D292 L297 Q298V291-T295 PolarHBondContact O-N 2.96Å; V291-T295 PolarHBondContact O-OG1 2.8Å; D292-T295 PolarHBondContact O-N 2.83Å; T295-L297 VanDerWaalsContact C-N 3.25Å; T295-L297 PolarHBondContact O-N 2.62Å; T295-Q298 PolarHBondContact O-N 3.28Å
296E65.6Low69.6Low163 Ų16397 Ų9776%0.76252%0.518SS*.G310 helixtrans-64.6-26.6178.2-62.4-171.7169.700113.5L294 Q298L294-E296 VanDerWaalsContact C-N 3.34Å; E296-Q298 VanDerWaalsContact C-N 3.34Å; E296-Q298 PolarHBondContact O-N 2.94Å
297L65.2Low70.1Confident92 Ų9295.5 Ų95.548%0.48252%0.519SS..G310 helixtrans-83.6-5.1-176.8-64173.9000114.1L294 T295 A299 I308L294-L297 PolarHBondContact O-N 2.91Å; T295-L297 VanDerWaalsContact C-N 3.25Å; T295-L297 PolarHBondContact O-N 2.62Å; L297-A299 PolarHBondContact O-N 2.68Å; L297-I308 VanDerWaalsContact C-CD1 3.46Å; L297-I308 HydrophobicContact CB-CD1 3.72Å; L297-I308 WeakPolarHBondContact O-CD1 3.45Å
298Q62.2Low71.1Confident66 Ų6689.2 Ų89.231%0.30849%0.485SS..G310 helixtrans-67.6-18.7-175.3-70.9-176.5-21.300114.5T295 E296 I300 I308T295-Q298 PolarHBondContact O-N 3.28Å; E296-Q298 VanDerWaalsContact C-N 3.34Å; E296-Q298 PolarHBondContact O-N 2.94Å; Q298-I300 VanDerWaalsContact C-N 3.33Å; Q298-I300 PolarHBondContact O-N 3.15Å; Q298-I308 HydrophobicContact CG-CB 4.1Å; Q298-I308 HydrophobicContact CG-CD1 4.17Å; Q298-I308 HydrophobicContact CG-CG2 3.53Å
299A66.2Low72.1Confident99 Ų9985.5 Ų85.582%0.81847%0.469SS*.G310 helixtrans-82.94.2-168.600000115.7L297L297-A299 PolarHBondContact O-N 2.68Å
300I68.8Low73.2Confident128 Ų12887.8 Ų87.866%0.65647%0.472SS*.SBendtrans-93-47.8-166.5-56.3174.2000113.1Q298Q298-I300 VanDerWaalsContact C-N 3.33Å; Q298-I300 PolarHBondContact O-N 3.15Å
301D74.7Confident74.2Confident84 Ų8486 Ų8645%0.44946%0.463SS..  trans-157.6154.6-173.8-176.526.3000110.8V304 S305D301-V304 HydrophobicContact CB-CB 4.15Å; D301-V304 HydrophobicContact CB-CG2 3.94Å; D301-V304 PolarHBondContact O-N 3.3Å; D301-S305 WeakPolarHBondContact O-CB 3.49Å; D301-S305 PolarHBondContact O-N 2.64Å
302E79.8Confident75.2Confident143 Ų14386 Ų8667%0.66846%0.462SS*.Hα-helixtrans-66.5-40.5-176.9-171.4176.5-177.600111.8V304 S305 Q306E302-V304 VanDerWaalsContact C-N 3.33Å; E302-V304 PolarHBondContact O-N 3.23Å; E302-S305 PolarHBondContact O-N 3.19Å; E302-Q306 WeakPolarHBondContact O-CG 3.31Å; E302-Q306 PolarHBondContact O-N 3.18Å
303Q79.3Confident76.3Confident154 Ų15486.1 Ų86.172%0.7246%0.459SS*.Hα-helixtrans-66.4-38.6176.9-63.5-172.81.400111.7Q306 A307Q303-Q306 PolarHBondContact O-N 2.72Å; Q303-A307 PolarHBondContact O-N 3.06Å; Q303-A307 VanDerWaalsContact O-N 3.11Å
304V79Confident77.2Confident58 Ų5882.6 Ų82.635%0.35244%0.441SS..Hα-helixtrans-67.6-43.8177.3176.40000110.1D301 E302 Q306 A307 I308D301-V304 HydrophobicContact CB-CB 4.15Å; D301-V304 HydrophobicContact CB-CG2 3.94Å; D301-V304 PolarHBondContact O-N 3.3Å; E302-V304 VanDerWaalsContact C-N 3.33Å; E302-V304 PolarHBondContact O-N 3.23Å; V304-Q306 VanDerWaalsContact C-N 3.35Å; V304-Q306 PolarHBondContact O-N 3.32Å; V304-A307 PolarHBondContact O-N 2.61Å; V304-A307 VanDerWaalsContact O-N 3.15Å; V304-I308 HydrophobicContact CG1-CD1 3.62Å; V304-I308 HydrophobicContact CG1-CG1 4.3Å; V304-I308 VanDerWaalsContact O-CG1 3.26Å; V304-I308 WeakPolarHBondContact O-CG1 3.46Å; V304-I308 PolarHBondContact O-N 3.04Å
305S80.1Confident78.2Confident45 Ų4582.3 Ų82.332%0.31544%0.439SS..Hα-helixtrans-56.3-46174.6175.80000112D301 E302 A307 I308 S309D301-S305 WeakPolarHBondContact O-CB 3.49Å; D301-S305 PolarHBondContact O-N 2.64Å; E302-S305 PolarHBondContact O-N 3.19Å; S305-A307 PolarHBondContact O-N 2.87Å; S305-I308 PolarHBondContact O-N 3.3Å; S305-S309 WeakPolarHBondContact O-CB 3.29Å; S305-S309 PolarHBondContact O-N 3.34Å; S305-S309 PolarHBondContact O-OG 3.22Å
306Q82.8Confident79.3Confident100 Ų10083.1 Ų83.147%0.46744%0.441SS..Hα-helixtrans-65.5-34.4176.7-69.317916.500113.6E302 Q303 V304 S309 K310E302-Q306 WeakPolarHBondContact O-CG 3.31Å; E302-Q306 PolarHBondContact O-N 3.18Å; Q303-Q306 PolarHBondContact O-N 2.72Å; V304-Q306 VanDerWaalsContact C-N 3.35Å; V304-Q306 PolarHBondContact O-N 3.32Å; Q306-S309 PolarHBondContact O-OG 2.83Å; Q306-K310 VanDerWaalsContact O-CG 3.3Å; Q306-K310 WeakPolarHBondContact O-CG 3.39Å; Q306-K310 PolarHBondContact O-N 3.39Å
307A82Confident80.6Confident62 Ų6276.2 Ų76.251%0.51241%0.409SS..Hα-helixtrans-70.2-39.6175.400000111.3Q303 V304 S305 Q311Q303-A307 PolarHBondContact O-N 3.06Å; Q303-A307 VanDerWaalsContact O-N 3.11Å; V304-A307 PolarHBondContact O-N 2.61Å; V304-A307 VanDerWaalsContact O-N 3.15Å; S305-A307 PolarHBondContact O-N 2.87Å; A307-Q311 PolarHBondContact O-N 3.42Å
308I83.7Confident81.8Confident17 Ų1773.8 Ų73.89%0.08740%0.395CS..Hα-helixtrans-69.2-43177.7-65.9166.3000110.9L294 L297 Q298 V304 S305 K310 Q311 I312L294-I308 HydrophobicContact CB-CG2 4.42Å; L294-I308 WeakPolarHBondContact O-CG2 3.26Å; L297-I308 VanDerWaalsContact C-CD1 3.46Å; L297-I308 HydrophobicContact CB-CD1 3.72Å; L297-I308 WeakPolarHBondContact O-CD1 3.45Å; Q298-I308 HydrophobicContact CG-CB 4.1Å; Q298-I308 HydrophobicContact CG-CD1 4.17Å; Q298-I308 HydrophobicContact CG-CG2 3.53Å; V304-I308 HydrophobicContact CG1-CD1 3.62Å; V304-I308 HydrophobicContact CG1-CG1 4.3Å; V304-I308 VanDerWaalsContact O-CG1 3.26Å; V304-I308 WeakPolarHBondContact O-CG1 3.46Å; V304-I308 PolarHBondContact O-N 3.04Å; S305-I308 PolarHBondContact O-N 3.3Å; I308-K310 VanDerWaalsContact C-N 3.32Å; I308-K310 PolarHBondContact O-N 3.48Å; I308-Q311 CarbonylContact O-C 3.49Å; I308-Q311 WeakPolarHBondContact O-CA 3.34Å; I308-Q311 WeakPolarHBondContact O-CB 3.46Å; I308-Q311 PolarHBondContact O-N 2.98Å; I308-I312 HydrophobicContact CG2-CD1 3.85Å; I308-I312 HydrophobicContact CG2-CG1 4.28Å; I308-I312 WeakPolarHBondContact O-CG1 3.5Å; I308-I312 PolarHBondContact O-N 2.8Å
309S84.8Confident83.3Confident45 Ų4574.3 Ų74.332%0.31540%0.396SS..Hα-helixtrans-59.4-44.1178.467.40000111.4S305 Q306 Q311 I312 E313S305-S309 WeakPolarHBondContact O-CB 3.29Å; S305-S309 PolarHBondContact O-N 3.34Å; S305-S309 PolarHBondContact O-OG 3.22Å; Q306-S309 PolarHBondContact O-OG 2.83Å; S309-Q311 VanDerWaalsContact C-N 3.32Å; S309-Q311 PolarHBondContact O-N 3Å; S309-I312 PolarHBondContact O-N 3.42Å; S309-E313 WeakPolarHBondContact O-CG 3.47Å; S309-E313 PolarHBondContact O-N 3.08Å
310K85Confident84.6Confident129 Ų12970.6 Ų70.656%0.56136%0.363SS*.Hα-helixtrans-59.1-42.3172-72.3174.4-175.7175.40112Q306 I308 I312 E313 V314Q306-K310 VanDerWaalsContact O-CG 3.3Å; Q306-K310 WeakPolarHBondContact O-CG 3.39Å; Q306-K310 PolarHBondContact O-N 3.39Å; I308-K310 VanDerWaalsContact C-N 3.32Å; I308-K310 PolarHBondContact O-N 3.48Å; K310-I312 VanDerWaalsContact C-N 3.33Å; K310-I312 PolarHBondContact O-N 3.4Å; K310-E313 PolarHBondContact O-N 3.46Å; K310-V314 VanDerWaalsContact O-CG2 3.27Å; K310-V314 WeakPolarHBondContact O-CG2 3.41Å; K310-V314 PolarHBondContact O-N 3.02Å
311Q84.8Confident85.8Confident84 Ų8464.5 Ų64.539%0.39333%0.331SS..Hα-helixtrans-65-38.1177.9-172.366.3-1.800111.8L294 A307 I308 S309 V314 Q315L294-Q311 HydrophobicContact CD1-CG 3.94Å; A307-Q311 PolarHBondContact O-N 3.42Å; I308-Q311 CarbonylContact O-C 3.49Å; I308-Q311 WeakPolarHBondContact O-CA 3.34Å; I308-Q311 WeakPolarHBondContact O-CB 3.46Å; I308-Q311 PolarHBondContact O-N 2.98Å; S309-Q311 VanDerWaalsContact C-N 3.32Å; S309-Q311 PolarHBondContact O-N 3Å; Q311-V314 PolarHBondContact O-N 3.18Å; Q311-Q315 VanDerWaalsContact O-CG 3.28Å; Q311-Q315 WeakPolarHBondContact O-CG 3.35Å; Q311-Q315 PolarHBondContact O-N 3.27Å
312I86.7Confident86.7Confident28 Ų2866 Ų6614%0.14433%0.334CS..Hα-helixtrans-65.5-46175.1-68.6168000110.6V291 I308 S309 K310 V314 Q315 N316V291-I312 HydrophobicContact CG1-CG1 4.45Å; I308-I312 HydrophobicContact CG2-CD1 3.85Å; I308-I312 HydrophobicContact CG2-CG1 4.28Å; I308-I312 WeakPolarHBondContact O-CG1 3.5Å; I308-I312 PolarHBondContact O-N 2.8Å; S309-I312 PolarHBondContact O-N 3.42Å; K310-I312 VanDerWaalsContact C-N 3.33Å; K310-I312 PolarHBondContact O-N 3.4Å; I312-V314 VanDerWaalsContact C-N 3.27Å; I312-V314 PolarHBondContact O-N 3.4Å; I312-Q315 PolarHBondContact O-N 3.35Å; I312-Q315 VanDerWaalsContact O-N 3.09Å; I312-N316 WeakPolarHBondContact O-CB 3.49Å; I312-N316 PolarHBondContact O-N 3.19Å; I312-N316 PolarHBondContact O-ND2 3.06Å
313E87.4Confident87.3Confident122 Ų12265.9 Ų65.957%0.5734%0.338SS*.Hα-helixtrans-55.7-44.8174.2-72.8175.1-174.300111.3S309 K310 Q315 N316 V317S309-E313 WeakPolarHBondContact O-CG 3.47Å; S309-E313 PolarHBondContact O-N 3.08Å; K310-E313 PolarHBondContact O-N 3.46Å; E313-Q315 PolarHBondContact O-N 3.26Å; E313-N316 PolarHBondContact O-N 3.46Å; E313-V317 WeakPolarHBondContact O-CG2 3.46Å; E313-V317 PolarHBondContact O-N 3.16Å
314V88.5Confident88Confident20 Ų2061.6 Ų61.612%0.12132%0.317CS..Hα-helixtrans-61-43.8175.5168.50000111.5K310 Q311 I312 N316 V317 K318K310-V314 VanDerWaalsContact O-CG2 3.27Å; K310-V314 WeakPolarHBondContact O-CG2 3.41Å; K310-V314 PolarHBondContact O-N 3.02Å; Q311-V314 PolarHBondContact O-N 3.18Å; I312-V314 VanDerWaalsContact C-N 3.27Å; I312-V314 PolarHBondContact O-N 3.4Å; V314-N316 VanDerWaalsContact C-N 3.35Å; V314-V317 PolarHBondContact O-N 2.62Å; V314-K318 HydrophobicContact CG1-CD 4.31Å; V314-K318 VanDerWaalsContact O-CG 3.27Å; V314-K318 WeakPolarHBondContact O-CG 3.46Å; V314-K318 PolarHBondContact O-N 3.01Å
315Q88.2Confident88.8Confident23 Ų2362.7 Ų62.711%0.10731%0.314CS..Hα-helixtrans-66-37.1177.4-69.3-65-14.600112.4V291 L294 Q311 I312 E313 K318 K319V291-Q315 HydrophobicContact CG2-CB 3.94Å; V291-Q315 HydrophobicContact CG2-CG 4.38Å; L294-Q315 HydrophobicContact CD1-CG 4.43Å; Q311-Q315 VanDerWaalsContact O-CG 3.28Å; Q311-Q315 WeakPolarHBondContact O-CG 3.35Å; Q311-Q315 PolarHBondContact O-N 3.27Å; I312-Q315 PolarHBondContact O-N 3.35Å; I312-Q315 VanDerWaalsContact O-N 3.09Å; E313-Q315 PolarHBondContact O-N 3.26Å; Q315-K318 PolarHBondContact O-N 2.85Å; Q315-K319 PolarHBondContact O-N 3.37Å; Q315-K319 VanDerWaalsContact O-N 3.15Å
316N90.7Very high89.6Confident83 Ų8360.5 Ų60.544%0.44430%0.3SS..Hα-helixtrans-63.5-45.8175.8-69.9-15.9000110.9I312 E313 V314 K318 K319 L320I312-N316 WeakPolarHBondContact O-CB 3.49Å; I312-N316 PolarHBondContact O-N 3.19Å; I312-N316 PolarHBondContact O-ND2 3.06Å; E313-N316 PolarHBondContact O-N 3.46Å; V314-N316 VanDerWaalsContact C-N 3.35Å; N316-K318 PolarHBondContact O-N 2.95Å; N316-K319 CarbonylContact O-C 3.57Å; N316-K319 PolarHBondContact O-N 3.28Å; N316-L320 PolarHBondContact O-N 2.96Å
317V92.2Very high90.1Very high18 Ų1855.8 Ų55.811%0.10928%0.277CS..Hα-helixtrans-62.6-41.6176.4174.40000111.4E313 V314 K319 L320 L395E313-V317 WeakPolarHBondContact O-CG2 3.46Å; E313-V317 PolarHBondContact O-N 3.16Å; V314-V317 PolarHBondContact O-N 2.62Å; V317-K319 PolarHBondContact O-N 3.15Å; V317-L320 VanDerWaalsContact O-CB 3.26Å; V317-L320 WeakPolarHBondContact O-CB 3.26Å; V317-L320 PolarHBondContact O-N 2.96Å; V317-L395 HydrophobicContact CG1-CD1 3.87Å
318K91.8Very high90.8Very high42 Ų4252.9 Ų52.918%0.18325%0.253CS..Hα-helixtrans-60.6-30.2176.3-73.7177.2179.31780113.6Q176 V314 Q315 N316 C344Q176-K318 HydrophobicContact CB-CB 4.46Å; Q176-K318 HydrophobicContact CB-CD 4.31Å; Q176-K318 HydrophobicContact CB-CG 3.85Å; Q176-K318 PolarHBondContact NE2-O 3.26Å; V314-K318 HydrophobicContact CG1-CD 4.31Å; V314-K318 VanDerWaalsContact O-CG 3.27Å; V314-K318 WeakPolarHBondContact O-CG 3.46Å; V314-K318 PolarHBondContact O-N 3.01Å; Q315-K318 PolarHBondContact O-N 2.85Å; N316-K318 PolarHBondContact O-N 2.95Å; K318-C344 CarbonylContact O-C 3.56Å; K318-C344 VanDerWaalsContact O-O 3.06Å
319K92.1Very high91.2Very high77 Ų7753.2 Ų53.234%0.33526%0.255SS..THydrogen-bonded Turntrans-102.55.3-178.7-65.1176.2-176.6174.40112.9Q315 N316 V317 F321 K322Q315-K319 PolarHBondContact O-N 3.37Å; Q315-K319 VanDerWaalsContact O-N 3.15Å; N316-K319 CarbonylContact O-C 3.57Å; N316-K319 PolarHBondContact O-N 3.28Å; V317-K319 PolarHBondContact O-N 3.15Å; K319-F321 VanDerWaalsContact C-N 3.31Å; K319-F321 PolarHBondContact O-N 2.91Å; K319-K322 HydrophobicContact CB-CB 4.39Å; K319-K322 HydrophobicContact CG-CD 4.46Å; K319-K322 VanDerWaalsContact O-CB 3.24Å; K319-K322 WeakPolarHBondContact O-CB 3.13Å; K319-K322 PolarHBondContact O-N 2.94Å
320L93.5Very high91.4Very high21 Ų2160.3 Ų60.311%0.1128%0.275CS..THydrogen-bonded Turntrans-56.7-39.8-171178.565.6000113.6N316 V317 C344 C394 L400N316-L320 PolarHBondContact O-N 2.96Å; V317-L320 VanDerWaalsContact O-CB 3.26Å; V317-L320 WeakPolarHBondContact O-CB 3.26Å; V317-L320 PolarHBondContact O-N 2.96Å; L320-C344 HydrophobicContact CB-CB 4.19Å; L320-C344 PolarHBondContact N-O 3.23Å; L320-C394 HydrophobicContact CD2-CB 4.49Å; L320-L400 HydrophobicContact CD1-CD2 3.98Å; L320-L400 HydrophobicContact CD1-CG 4.18Å; L320-L400 HydrophobicContact CG-CD2 4.22Å
321F95.1Very high91.6Very high0 Ų057.1 Ų57.10%026%0.261CS..THydrogen-bonded Turntrans-11020.7177.8-61.2-47.3000112.7K319 N323 K324 F326 C344 G345 G346 W390 V391 C394 L400K319-F321 VanDerWaalsContact C-N 3.31Å; K319-F321 PolarHBondContact O-N 2.91Å; F321-N323 PolarHBondContact O-N 2.91Å; F321-K324 HydrophobicContact CB-CB 4.43Å; F321-K324 WeakPolarHBondContact O-CB 3.43Å; F321-K324 PolarHBondContact O-N 3.4Å; F321-F326 HydrophobicContact CB-CE2 4.07Å; F321-F326 AromaticContact CD1-CE2 3.9Å; F321-F326 HydrophobicContact CD1-CE2 3.9Å; F321-F326 AromaticContact CD1-CZ 3.72Å; F321-F326 HydrophobicContact CD1-CZ 3.72Å; F321-F326 HydrophobicContact CD2-CE2 4.43Å; F321-F326 HydrophobicContact CE1-CE2 4.48Å; F321-F326 AromaticContact CE1-CZ 3.88Å; F321-F326 HydrophobicContact CE1-CZ 3.88Å; F321-F326 AromaticContact CG-CE2 3.9Å; F321-F326 HydrophobicContact CG-CE2 3.9Å; F321-F326 HydrophobicContact CG-CZ 4.11Å; F321-F326 HydrophobicContact CZ-CZ 4.41Å; F321-C344 HydrophobicContact CB-CB 4.33Å; F321-C344 HydrophobicContact CD2-CB 3.48Å; F321-C344 VanDerWaalsContact CD2-CB 3.48Å; F321-C344 HydrophobicContact CE2-CB 4.09Å; F321-C344 HydrophobicContact CG-CB 4.2Å; F321-C344 PolarHBondContact N-O 3.07Å; F321-G345 CarbonylContact O-C 3.54Å; F321-G346 WeakPolarHBondContact O-CA 3.46Å; F321-G346 PolarHBondContact O-N 2.92Å; F321-W390 HydrophobicContact CE1-CH2 4.05Å; F321-W390 AromaticContact CE1-CZ3 3.9Å; F321-W390 HydrophobicContact CE1-CZ3 3.9Å; F321-W390 HydrophobicContact CZ-CZ3 4.33Å; F321-V391 HydrophobicContact CE2-CG1 4.28Å; F321-C394 HydrophobicContact CE1-CB 4.43Å; F321-C394 HydrophobicContact CZ-CB 4.04Å; F321-L400 HydrophobicContact CD1-CD2 3.64Å; F321-L400 HydrophobicContact CE1-CD2 3.37Å
322K92.8Very high91.9Very high116 Ų11653.3 Ų53.350%0.50424%0.244SC..THydrogen-bonded Turntrans-56.3131.5178.9-174176.2179.1179.40110.3K319 K324K319-K322 HydrophobicContact CB-CB 4.39Å; K319-K322 HydrophobicContact CG-CD 4.46Å; K319-K322 VanDerWaalsContact O-CB 3.24Å; K319-K322 WeakPolarHBondContact O-CB 3.13Å; K319-K322 PolarHBondContact O-N 2.94Å; K322-K324 PolarHBondContact O-N 3.26Å
323N92.1Very high92.2Very high139 Ų13954.2 Ų54.274%0.74325%0.252SS*.THydrogen-bonded Turntrans61.917.4-177.2-53.3-24.3000115.2F321F321-N323 PolarHBondContact O-N 2.91Å
324K94.3Very high92.4Very high65 Ų6551.7 Ų51.728%0.28324%0.237SC..  trans-100.6135.4174.7-60.2-56.6-170.4176.50111.5F321 K322 F326 E347 D368 Y369F321-K324 HydrophobicContact CB-CB 4.43Å; F321-K324 WeakPolarHBondContact O-CB 3.43Å; F321-K324 PolarHBondContact O-N 3.4Å; K322-K324 PolarHBondContact O-N 3.26Å; K324-F326 HydrophobicContact CB-CD2 4.43Å; K324-F326 HydrophobicContact CB-CE2 3.81Å; K324-E347 PolarHBondContact O-N 3.34Å; K324-D368 VanDerWaalsContact CA-OD2 3.31Å; K324-D368 WeakPolarHBondContact CA-OD2 3.3Å; K324-Y369 HydrophobicContact CB-CD2 4.47Å; K324-Y369 HydrophobicContact CB-CE2 4.31Å; K324-Y369 HydrophobicContact CD-CE2 4.07Å; K324-Y369 HydrophobicContact CG-CE2 4.21Å
325R95.7Very high92.5Very high80 Ų8054.1 Ų54.130%0.30225%0.247SC..EExtended strand (participates in β ladder)trans-105.2121.8178.4-72.1-174.8164.9175.82.9111.5E347 F360 T366 D368 Y369R325-E347 HydrophobicContact CG-CB 4.33Å; R325-E347 IonicContact CZ-OE2 2.82Å; R325-E347 IonicContact NE-OE2 3.99Å; R325-E347 PolarHBondContact NE-OE2 3.29Å; R325-E347 IonicContact NH2-OE2 2.87Å; R325-E347 PolarHBondContact NH2-OE2 2.89Å; R325-F360 HydrophobicContact CB-CE1 4.29Å; R325-F360 HydrophobicContact CB-CZ 3.92Å; R325-F360 HydrophobicContact CG-CE1 4.13Å; R325-F360 HydrophobicContact CG-CZ 4.27Å; R325-T366 WeakPolarHBondContact CD-O 3.45Å; R325-T366 PolarHBondContact NH1-OG1 2.87Å; R325-D368 PolarHBondContact N-OD2 3.47Å; R325-D368 PolarHBondContact O-N 2.97Å; R325-D368 VanDerWaalsContact O-N 3.12Å; R325-Y369 PolarHBondContact O-N 3.37Å; R325-Y369 VanDerWaalsContact O-N 3.09Å
326F96.5Very high92.8Very high0 Ų053.1 Ų53.10%024%0.243CC..EExtended strand (participates in β ladder)trans-109.1128.7178.8-72.5-96.6000111.3F321 K324 I341 E347 S349 F360 Y369 V371 W390F321-F326 HydrophobicContact CB-CE2 4.07Å; F321-F326 AromaticContact CD1-CE2 3.9Å; F321-F326 HydrophobicContact CD1-CE2 3.9Å; F321-F326 AromaticContact CD1-CZ 3.72Å; F321-F326 HydrophobicContact CD1-CZ 3.72Å; F321-F326 HydrophobicContact CD2-CE2 4.43Å; F321-F326 HydrophobicContact CE1-CE2 4.48Å; F321-F326 AromaticContact CE1-CZ 3.88Å; F321-F326 HydrophobicContact CE1-CZ 3.88Å; F321-F326 AromaticContact CG-CE2 3.9Å; F321-F326 HydrophobicContact CG-CE2 3.9Å; F321-F326 HydrophobicContact CG-CZ 4.11Å; F321-F326 HydrophobicContact CZ-CZ 4.41Å; K324-F326 HydrophobicContact CB-CD2 4.43Å; K324-F326 HydrophobicContact CB-CE2 3.81Å; F326-I341 HydrophobicContact CB-CD1 3.82Å; F326-I341 HydrophobicContact CB-CG2 4.41Å; F326-I341 HydrophobicContact CD1-CD1 3.83Å; F326-I341 HydrophobicContact CD2-CD1 4.22Å; F326-I341 HydrophobicContact CD2-CG1 4.41Å; F326-I341 HydrophobicContact CD2-CG2 3.63Å; F326-I341 HydrophobicContact CE1-CD1 4.47Å; F326-I341 HydrophobicContact CE2-CG2 4.16Å; F326-I341 HydrophobicContact CG-CD1 3.68Å; F326-I341 HydrophobicContact CG-CG1 4.33Å; F326-I341 HydrophobicContact CG-CG2 4.13Å; F326-E347 PolarHBondContact N-O 3.45Å; F326-S349 PolarHBondContact O-N 3.29Å; F326-F360 WeakPolarHBondContact O-CZ 3.45Å; F326-Y369 CarbonylContact C-O 3.52Å; F326-Y369 WeakPolarHBondContact CA-O 3.37Å; F326-Y369 HydrophobicContact CD1-CD2 4.38Å; F326-Y369 HydrophobicContact CD1-CG 4.26Å; F326-Y369 AromaticContact CE1-CD2 3.77Å; F326-Y369 HydrophobicContact CE1-CD2 3.77Å; F326-Y369 AromaticContact CE1-CG 3.74Å; F326-Y369 HydrophobicContact CE1-CG 3.74Å; F326-Y369 HydrophobicContact CE2-CD2 4.03Å; F326-Y369 AromaticContact CZ-CD2 3.56Å; F326-Y369 HydrophobicContact CZ-CD2 3.56Å; F326-Y369 HydrophobicContact CZ-CE2 4.18Å; F326-Y369 HydrophobicContact CZ-CG 4.03Å; F326-V371 HydrophobicContact CD1-CG2 3.97Å; F326-W390 HydrophobicContact CE1-CE3 4.38Å; F326-W390 AromaticContact CE1-CZ3 3.65Å; F326-W390 HydrophobicContact CE1-CZ3 3.65Å; F326-W390 HydrophobicContact CZ-CH2 4.4Å; F326-W390 AromaticContact CZ-CZ3 3.78Å; F326-W390 HydrophobicContact CZ-CZ3 3.78Å
327F95.3Very high93Very high1 Ų149.2 Ų49.20%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-104.8121168.7-167.1-95.9000110.1M329 D351 F360 E362 I367 Y369 Q370 V371F327-M329 HydrophobicContact CE1-CE 4.15Å; F327-M329 HydrophobicContact CE1-SD 4.34Å; F327-D351 HydrophobicContact CZ-CB 4.25Å; F327-F360 HydrophobicContact CB-CE2 4.48Å; F327-F360 HydrophobicContact CD2-CD2 4.33Å; F327-F360 HydrophobicContact CD2-CE2 4.26Å; F327-E362 HydrophobicContact CD1-CG 4.22Å; F327-E362 HydrophobicContact CE1-CB 3.78Å; F327-E362 HydrophobicContact CE1-CG 3.74Å; F327-E362 HydrophobicContact CE2-CB 3.95Å; F327-E362 HydrophobicContact CZ-CB 3.46Å; F327-E362 VanDerWaalsContact CZ-CB 3.46Å; F327-E362 HydrophobicContact CZ-CG 3.99Å; F327-I367 HydrophobicContact CB-CD1 3.93Å; F327-I367 HydrophobicContact CB-CG1 4.43Å; F327-I367 HydrophobicContact CB-CG2 3.82Å; F327-I367 HydrophobicContact CD2-CD1 3.95Å; F327-I367 HydrophobicContact CG-CD1 4.1Å; F327-Y369 PolarHBondContact N-O 2.94Å; F327-Q370 HydrophobicContact CD1-CG 4.25Å; F327-Q370 WeakPolarHBondContact O-CA 3.5Å; F327-V371 PolarHBondContact O-N 3.1Å
328L94.9Very high93.1Very high1 Ų148.4 Ų48.41%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-99.4122.5-177.6-54.1-176.8000110.2I337 C338 I341 C348 S349 W350 V371L328-I337 HydrophobicContact CD1-CG2 4.13Å; L328-I337 HydrophobicContact CD2-CG2 3.66Å; L328-C338 HydrophobicContact CD1-CB 4.26Å; L328-I341 HydrophobicContact CD2-CD1 4.07Å; L328-C348 HydrophobicContact CD1-CB 4.48Å; L328-S349 PolarHBondContact N-O 2.9Å; L328-W350 WeakPolarHBondContact O-CB 3.38Å; L328-V371 HydrophobicContact CD2-CB 3.82Å; L328-V371 HydrophobicContact CD2-CG2 3.68Å
329M92.6Very high93.2Very high23 Ų2346.4 Ų46.411%0.11321%0.208CC..  trans-72.5162.7173.9-82-66.5179.300113.1F327 E331 V332 E362 V371 V372 M376F327-M329 HydrophobicContact CE1-CE 4.15Å; F327-M329 HydrophobicContact CE1-SD 4.34Å; M329-E331 VanDerWaalsContact C-N 3.27Å; M329-E331 VanDerWaalsContact CB-OE1 3.23Å; M329-E331 WeakPolarHBondContact CB-OE1 3.33Å; M329-E331 WeakPolarHBondContact CB-OE2 3.44Å; M329-E331 PolarHBondContact O-N 3.47Å; M329-V332 HydrophobicContact CB-CG2 4.36Å; M329-V332 WeakPolarHBondContact O-CB 3.45Å; M329-V332 PolarHBondContact O-N 3.46Å; M329-E362 WeakPolarHBondContact CE-OE1 3.17Å; M329-V371 WeakPolarHBondContact CB-O 3.33Å; M329-V371 PolarHBondContact N-O 3.15Å; M329-V371 VanDerWaalsContact N-O 3.15Å; M329-V372 HydrophobicContact CG-CB 4.49Å; M329-V372 HydrophobicContact CG-CG1 4.37Å; M329-V372 HydrophobicContact CG-CG2 3.81Å; M329-M376 HydrophobicContact CE-CE 3.65Å
330R89.7Confident93.4Very high195 Ų19542.8 Ų42.874%0.73619%0.192SC*.THydrogen-bonded Turntrans-61.3-31.7-171.4177.7172.567.6-176.3-1.1113.7V332 V354R330-V332 VanDerWaalsContact C-N 3.34Å; R330-V354 HydrophobicContact CB-CG1 4.46Å; R330-V354 HydrophobicContact CB-CG2 4.16Å; R330-V354 HydrophobicContact CG-CG1 3.95Å; R330-V354 HydrophobicContact CG-CG2 4.24Å
331E88.5Confident93.5Very high61 Ų6141.8 Ų41.829%0.28519%0.187SC..THydrogen-bonded Turntrans-78-19.2-178.267.1-78.2-179.200113.9M329 V372 D373 R374M329-E331 VanDerWaalsContact C-N 3.27Å; M329-E331 VanDerWaalsContact CB-OE1 3.23Å; M329-E331 WeakPolarHBondContact CB-OE1 3.33Å; M329-E331 WeakPolarHBondContact CB-OE2 3.44Å; M329-E331 PolarHBondContact O-N 3.47Å; E331-V372 WeakPolarHBondContact OE1-CG1 3.39Å; E331-D373 HydrophobicContact CG-CB 3.75Å; E331-D373 PolarHBondContact OE1-N 3.05Å; E331-R374 HydrophobicContact CG-CG 4.27Å
332V92Very high93.5Very high4 Ų443.7 Ų43.72%0.02419%0.194CC..SBendtrans-77.2137.8-172.51740000110.4M329 R330 R334 I337 V371 P388M329-V332 HydrophobicContact CB-CG2 4.36Å; M329-V332 WeakPolarHBondContact O-CB 3.45Å; M329-V332 PolarHBondContact O-N 3.46Å; R330-V332 VanDerWaalsContact C-N 3.34Å; V332-R334 VanDerWaalsContact C-N 3.34Å; V332-R334 WeakPolarHBondContact O-CG 3.47Å; V332-R334 PolarHBondContact O-N 3.4Å; V332-I337 HydrophobicContact CG1-CD1 3.15Å; V332-I337 HydrophobicContact CG1-CG1 4.42Å; V332-V371 HydrophobicContact CG1-CG1 3.91Å; V332-V371 HydrophobicContact CG2-CG1 4.06Å; V332-V371 WeakPolarHBondContact CG2-O 3.46Å; V332-P388 HydrophobicContact CG1-CB 4.39Å
333P92.2Very high93.6Very high47 Ų4738.3 Ų38.331%0.30517%0.171SC..  trans-68.488.317927.6-34.8000111.4F188 E335 A336 I337F188-P333 HydrophobicContact CE1-CB 4.3Å; F188-P333 HydrophobicContact CE1-CG 3.94Å; F188-P333 HydrophobicContact CE2-CB 4.02Å; F188-P333 HydrophobicContact CZ-CB 3.49Å; F188-P333 VanDerWaalsContact CZ-CB 3.49Å; F188-P333 HydrophobicContact CZ-CG 3.55Å; P333-E335 PolarHBondContact O-N 3.45Å; P333-A336 PolarHBondContact O-N 2.96Å; P333-I337 HydrophobicContact CG-CD1 3.79Å; P333-I337 PolarHBondContact O-N 3.22Å
334R91.4Very high93.7Very high69 Ų6931.7 Ų31.726%0.2614%0.136SC..Hα-helixtrans-59.2-43.1-168.9-49.6-174.9-44.2-140.21.3114V332 A336 I337 C338 V354 S355V332-R334 VanDerWaalsContact C-N 3.34Å; V332-R334 WeakPolarHBondContact O-CG 3.47Å; V332-R334 PolarHBondContact O-N 3.4Å; R334-A336 PolarHBondContact O-N 2.89Å; R334-I337 PolarHBondContact O-N 3.35Å; R334-C338 VanDerWaalsContact O-CB 3.24Å; R334-C338 WeakPolarHBondContact O-CB 3.14Å; R334-C338 PolarHBondContact O-N 3.2Å; R334-V354 PolarHBondContact NH1-O 3.06Å; R334-S355 PolarHBondContact NH2-OG 3.05Å
335E91.5Very high93.6Very high72 Ų7229.7 Ų29.734%0.33613%0.134SC..Hα-helixtrans-59.5-50-174.7-68.5176.2-178.700110.9K146 M203 P333 L339K146-E335 IonicContact NZ-OE1 2.78Å; K146-E335 PolarHBondContact NZ-OE1 3.38Å; K146-E335 IonicContact NZ-OE2 3.3Å; K146-E335 PolarHBondContact NZ-OE2 3.04Å; M203-E335 HydrophobicContact CE-CB 4Å; P333-E335 PolarHBondContact O-N 3.45Å; E335-L339 VanDerWaalsContact O-CB 3.22Å; E335-L339 WeakPolarHBondContact O-CB 3.45Å; E335-L339 PolarHBondContact O-N 2.58Å; E335-L339 VanDerWaalsContact O-N 3.12Å
336A93.6Very high93.5Very high2 Ų225.9 Ų25.92%0.01712%0.119CC..Hα-helixtrans-70.1-41.7-179.200000112.3F188 P333 R334 L339 I340 F392F188-A336 HydrophobicContact CB-CB 4.27Å; F188-A336 HydrophobicContact CD1-CB 3.97Å; F188-A336 HydrophobicContact CD2-CB 3.94Å; F188-A336 HydrophobicContact CE1-CB 4.33Å; F188-A336 HydrophobicContact CE2-CB 4.3Å; F188-A336 HydrophobicContact CG-CB 3.78Å; F188-A336 HydrophobicContact CZ-CB 4.5Å; P333-A336 PolarHBondContact O-N 2.96Å; R334-A336 PolarHBondContact O-N 2.89Å; A336-L339 WeakPolarHBondContact O-CB 3.44Å; A336-I340 WeakPolarHBondContact O-CG1 2.77Å; A336-I340 PolarHBondContact O-N 3.09Å; A336-F392 HydrophobicContact CB-CZ 4.43Å
337I94.8Very high93.4Very high0 Ų030 Ų300%014%0.138CC..Hα-helixtrans-74.5-43.1-176.4-73.4164.7000111.5L328 V332 P333 R334 L339 I340 I341 P388 V391 F392L328-I337 HydrophobicContact CD1-CG2 4.13Å; L328-I337 HydrophobicContact CD2-CG2 3.66Å; V332-I337 HydrophobicContact CG1-CD1 3.15Å; V332-I337 HydrophobicContact CG1-CG1 4.42Å; P333-I337 HydrophobicContact CG-CD1 3.79Å; P333-I337 PolarHBondContact O-N 3.22Å; R334-I337 PolarHBondContact O-N 3.35Å; I337-L339 VanDerWaalsContact C-N 3.31Å; I337-L339 PolarHBondContact O-N 2.95Å; I337-I340 PolarHBondContact O-N 3.07Å; I337-I341 HydrophobicContact CG2-CD1 3.44Å; I337-I341 VanDerWaalsContact CG2-CD1 3.44Å; I337-I341 HydrophobicContact CG2-CG1 4.22Å; I337-I341 WeakPolarHBondContact O-CB 3.21Å; I337-I341 VanDerWaalsContact O-CG1 3.3Å; I337-I341 WeakPolarHBondContact O-CG1 3.43Å; I337-I341 PolarHBondContact O-N 3.06Å; I337-P388 HydrophobicContact CD1-CB 3.51Å; I337-V391 HydrophobicContact CG2-CG2 4.44Å; I337-F392 HydrophobicContact CD1-CE2 4.36Å; I337-F392 HydrophobicContact CG1-CE2 3.81Å; I337-F392 HydrophobicContact CG1-CZ 4.35Å
338C94.5Very high93.3Very high2 Ų230 Ų301%0.01414%0.139CC..Hα-helixtrans-66.8-34.6175.7-173.60000111.2L328 R334 I340 I341 R342 C348L328-C338 HydrophobicContact CD1-CB 4.26Å; R334-C338 VanDerWaalsContact O-CB 3.24Å; R334-C338 WeakPolarHBondContact O-CB 3.14Å; R334-C338 PolarHBondContact O-N 3.2Å; C338-I340 VanDerWaalsContact C-N 3.34Å; C338-I340 PolarHBondContact O-N 3.07Å; C338-I341 PolarHBondContact O-N 3.08Å; C338-R342 VanDerWaalsContact O-CB 3.23Å; C338-R342 WeakPolarHBondContact O-CB 2.96Å; C338-R342 WeakPolarHBondContact O-CG 3.38Å; C338-R342 PolarHBondContact O-N 2.6Å; C338-R342 WeakPolarHBondContact SG-CG 3.06Å; C338-C348 HydrophobicContact CB-CB 4.03Å; C338-C348 WeakPolarHBondContact CB-SG 3.45Å; C338-C348 WeakPolarHBondContact SG-CB 3.4Å; C338-C348 CovalentContact SG-SG 2.08Å; C338-C348 PolarHBondContact SG-SG 3.5Å
339L95.1Very high93.3Very high0 Ų030 Ų300%014%0.139CC..Hα-helixtrans-53.7-49.5170.5173.467.9000111.6L169 V172 V173 V178 V190 W201 M203 L276 E335 A336 I337 S343L169-L339 HydrophobicContact CD2-CD1 4.03Å; L169-L339 HydrophobicContact CD2-CD2 3.81Å; L169-L339 HydrophobicContact CD2-CG 4.5Å; V172-L339 HydrophobicContact CB-CD1 4.38Å; V172-L339 HydrophobicContact CG1-CD1 4.04Å; V173-L339 HydrophobicContact CG2-CD1 3.64Å; V178-L339 HydrophobicContact CG2-CG 4.44Å; V190-L339 HydrophobicContact CG1-CD2 4.2Å; V190-L339 HydrophobicContact CG2-CD2 4.35Å; W201-L339 HydrophobicContact CZ2-CD2 4.35Å; M203-L339 HydrophobicContact SD-CD2 4.03Å; L276-L339 HydrophobicContact CD1-CB 4.07Å; L276-L339 HydrophobicContact CD1-CD1 4.48Å; E335-L339 VanDerWaalsContact O-CB 3.22Å; E335-L339 WeakPolarHBondContact O-CB 3.45Å; E335-L339 PolarHBondContact O-N 2.58Å; E335-L339 VanDerWaalsContact O-N 3.12Å; A336-L339 WeakPolarHBondContact O-CB 3.44Å; I337-L339 VanDerWaalsContact C-N 3.31Å; I337-L339 PolarHBondContact O-N 2.95Å; L339-S343 WeakPolarHBondContact O-CB 3.34Å; L339-S343 PolarHBondContact O-N 2.82Å; L339-S343 PolarHBondContact O-OG 3.23Å
340I95.8Very high93.3Very high0 Ų029 Ų290%013%0.134CC..Hα-helixtrans-67.1-51-179.6-65.1166.2000110.9A181 A336 I337 C338 R342 S343 C344 V391 F392 L395A181-I340 HydrophobicContact CB-CD1 3.72Å; A181-I340 HydrophobicContact CB-CG1 4.39Å; A336-I340 WeakPolarHBondContact O-CG1 2.77Å; A336-I340 PolarHBondContact O-N 3.09Å; I337-I340 PolarHBondContact O-N 3.07Å; C338-I340 VanDerWaalsContact C-N 3.34Å; C338-I340 PolarHBondContact O-N 3.07Å; I340-R342 PolarHBondContact O-N 3.05Å; I340-S343 PolarHBondContact O-N 3.16Å; I340-C344 PolarHBondContact O-N 2.99Å; I340-C344 PolarHBondContact O-SG 3.1Å; I340-V391 HydrophobicContact CB-CG1 4.15Å; I340-V391 HydrophobicContact CG2-CG1 3.7Å; I340-F392 HydrophobicContact CD1-CD1 3.73Å; I340-F392 HydrophobicContact CD1-CD2 4.41Å; I340-F392 HydrophobicContact CD1-CE1 3.47Å; I340-F392 VanDerWaalsContact CD1-CE1 3.47Å; I340-F392 HydrophobicContact CD1-CE2 4.21Å; I340-F392 HydrophobicContact CD1-CG 4.19Å; I340-F392 HydrophobicContact CD1-CZ 3.73Å; I340-L395 HydrophobicContact CD1-CD2 4.38Å; I340-L395 HydrophobicContact CG1-CD2 4.27Å; I340-L395 HydrophobicContact CG2-CB 4.13Å; I340-L395 HydrophobicContact CG2-CD1 4.36Å; I340-L395 HydrophobicContact CG2-CD2 3.92Å; I340-L395 HydrophobicContact CG2-CG 4.36Å
341I96.1Very high93.3Very high0 Ų022.8 Ų22.80%012%0.115CC..Hα-helixtrans-58.8-49-176.6-68.5167.8000110.8F326 L328 I337 C338 C344 G345 G346 C348 V391F326-I341 HydrophobicContact CB-CD1 3.82Å; F326-I341 HydrophobicContact CB-CG2 4.41Å; F326-I341 HydrophobicContact CD1-CD1 3.83Å; F326-I341 HydrophobicContact CD2-CD1 4.22Å; F326-I341 HydrophobicContact CD2-CG1 4.41Å; F326-I341 HydrophobicContact CD2-CG2 3.63Å; F326-I341 HydrophobicContact CE1-CD1 4.47Å; F326-I341 HydrophobicContact CE2-CG2 4.16Å; F326-I341 HydrophobicContact CG-CD1 3.68Å; F326-I341 HydrophobicContact CG-CG1 4.33Å; F326-I341 HydrophobicContact CG-CG2 4.13Å; L328-I341 HydrophobicContact CD2-CD1 4.07Å; I337-I341 HydrophobicContact CG2-CD1 3.44Å; I337-I341 VanDerWaalsContact CG2-CD1 3.44Å; I337-I341 HydrophobicContact CG2-CG1 4.22Å; I337-I341 WeakPolarHBondContact O-CB 3.21Å; I337-I341 VanDerWaalsContact O-CG1 3.3Å; I337-I341 WeakPolarHBondContact O-CG1 3.43Å; I337-I341 PolarHBondContact O-N 3.06Å; C338-I341 PolarHBondContact O-N 3.08Å; I341-C344 CarbonylContact O-C 3.54Å; I341-C344 PolarHBondContact O-N 2.77Å; I341-G345 PolarHBondContact O-N 3.35Å; I341-G346 PolarHBondContact O-N 3.41Å; I341-C348 HydrophobicContact CG2-CB 4.33Å; I341-V391 HydrophobicContact CD1-CG2 4.5Å; I341-V391 HydrophobicContact CG1-CG1 3.95Å
342R94.8Very high93.2Very high40 Ų4023.8 Ų23.815%0.15112%0.118CC..Hα-helixtrans-67.4-38.1-179.4-64.3-70.5-59.7121.1-1.6111.8V173 L276 S277 C338 I340 C344 G345 G346V173-R342 HydrophobicContact CG1-CB 3.56Å; V173-R342 HydrophobicContact CG2-CB 4.24Å; L276-R342 WeakPolarHBondContact O-CG 3.28Å; L276-R342 PolarHBondContact O-NE 3.3Å; S277-R342 PolarHBondContact O-NE 3.17Å; S277-R342 PolarHBondContact O-NH2 2.69Å; C338-R342 VanDerWaalsContact O-CB 3.23Å; C338-R342 WeakPolarHBondContact O-CB 2.96Å; C338-R342 WeakPolarHBondContact O-CG 3.38Å; C338-R342 PolarHBondContact O-N 2.6Å; C338-R342 WeakPolarHBondContact SG-CG 3.06Å; I340-R342 PolarHBondContact O-N 3.05Å; R342-C344 PolarHBondContact O-N 3.25Å; R342-G345 PolarHBondContact O-N 3.14Å; R342-G345 VanDerWaalsContact O-N 3.13Å; R342-G346 WeakPolarHBondContact CD-O 3.45Å; R342-G346 PolarHBondContact NH1-O 2.61Å
343S93.9Very high92.8Very high3 Ų328.9 Ų28.92%0.02114%0.144CC..Hα-helixtrans-63.9-29.9175.6-61.20000112.4Q176 V178 L339 I340 G345Q176-S343 WeakPolarHBondContact CB-O 3.27Å; Q176-S343 VanDerWaalsContact CG-O 3.24Å; Q176-S343 WeakPolarHBondContact CG-O 3.42Å; V178-S343 WeakPolarHBondContact CG2-OG 3.06Å; L339-S343 WeakPolarHBondContact O-CB 3.34Å; L339-S343 PolarHBondContact O-N 2.82Å; L339-S343 PolarHBondContact O-OG 3.23Å; I340-S343 PolarHBondContact O-N 3.16Å; S343-G345 VanDerWaalsContact C-N 3.33Å
344C94.6Very high92.5Very high1 Ų128.4 Ų28.41%0.00714%0.141CC..THydrogen-bonded Turntrans-91.711.5176.6-60.10000113.6K318 L320 F321 I340 I341 R342K318-C344 CarbonylContact O-C 3.56Å; K318-C344 VanDerWaalsContact O-O 3.06Å; L320-C344 HydrophobicContact CB-CB 4.19Å; L320-C344 PolarHBondContact N-O 3.23Å; F321-C344 HydrophobicContact CB-CB 4.33Å; F321-C344 HydrophobicContact CD2-CB 3.48Å; F321-C344 VanDerWaalsContact CD2-CB 3.48Å; F321-C344 HydrophobicContact CE2-CB 4.09Å; F321-C344 HydrophobicContact CG-CB 4.2Å; F321-C344 PolarHBondContact N-O 3.07Å; I340-C344 PolarHBondContact O-N 2.99Å; I340-C344 PolarHBondContact O-SG 3.1Å; I341-C344 CarbonylContact O-C 3.54Å; I341-C344 PolarHBondContact O-N 2.77Å; R342-C344 PolarHBondContact O-N 3.25Å
345G91.8Very high91.9Very high22 Ų2225.5 Ų25.523%0.22713%0.131CC..THydrogen-bonded Turntrans86.86.2173.700000116.3F321 I341 R342 S343F321-G345 CarbonylContact O-C 3.54Å; I341-G345 PolarHBondContact O-N 3.35Å; R342-G345 PolarHBondContact O-N 3.14Å; R342-G345 VanDerWaalsContact O-N 3.13Å; S343-G345 VanDerWaalsContact C-N 3.33Å
346G93.7Very high91.6Very high0 Ų023.1 Ų23.10%012%0.121CC..  trans-83.1165.117700000113.8F321 I341 R342F321-G346 WeakPolarHBondContact O-CA 3.46Å; F321-G346 PolarHBondContact O-N 2.92Å; I341-G346 PolarHBondContact O-N 3.41Å; R342-G346 WeakPolarHBondContact CD-O 3.45Å; R342-G346 PolarHBondContact NH1-O 2.61Å
347E94Very high91.1Very high86 Ų8623.1 Ų23.140%0.40212%0.122SC..EExtended strand (participates in β ladder)trans-101.7133.7171.7-62.2-174.3156.900109.7K324 R325 F326 F360K324-E347 PolarHBondContact O-N 3.34Å; R325-E347 HydrophobicContact CG-CB 4.33Å; R325-E347 IonicContact CZ-OE2 2.82Å; R325-E347 IonicContact NE-OE2 3.99Å; R325-E347 PolarHBondContact NE-OE2 3.29Å; R325-E347 IonicContact NH2-OE2 2.87Å; R325-E347 PolarHBondContact NH2-OE2 2.89Å; F326-E347 PolarHBondContact N-O 3.45Å; E347-F360 HydrophobicContact CB-CE1 4.13Å
348C93.7Very high90.7Very high2 Ų226.8 Ų26.81%0.01414%0.136CC..EExtended strand (participates in β ladder)trans-116.3137.1179.4870000108.9L328 C338 I341 W350 T359L328-C348 HydrophobicContact CD1-CB 4.48Å; C338-C348 HydrophobicContact CB-CB 4.03Å; C338-C348 WeakPolarHBondContact CB-SG 3.45Å; C338-C348 WeakPolarHBondContact SG-CB 3.4Å; C338-C348 CovalentContact SG-SG 2.08Å; C338-C348 PolarHBondContact SG-SG 3.5Å; I341-C348 HydrophobicContact CG2-CB 4.33Å; C348-W350 VanDerWaalsContact SG-CZ3 3.6Å; C348-T359 PolarHBondContact O-OG1 3.32Å
349S94.2Very high90.4Very high0 Ų029.8 Ų29.80%015%0.154CC..EExtended strand (participates in β ladder)trans-140.5169.4169.5-160.10000111F326 L328 T359 F360F326-S349 PolarHBondContact O-N 3.29Å; L328-S349 PolarHBondContact N-O 2.9Å; S349-T359 VanDerWaalsContact CB-OG1 3.31Å; S349-T359 WeakPolarHBondContact CB-OG1 3.47Å; S349-T359 PolarHBondContact OG-N 3.24Å; S349-T359 PolarHBondContact OG-OG1 2.99Å; S349-F360 VanDerWaalsContact CB-CZ 3.45Å; S349-F360 WeakPolarHBondContact CB-O 3.23Å; S349-F360 PolarHBondContact OG-N 2.67Å; S349-F360 PolarHBondContact OG-O 3.05Å
350W92.8Very high90.2Very high4 Ų430.4 Ų30.42%0.01516%0.157CC..EExtended strand (participates in β ladder)trans-152.1173.6177.850.981.8000109.4S275 L328 C348 S355 P356 G357 Y358S275-W350 WeakPolarHBondContact O-CH2 3.41Å; L328-W350 WeakPolarHBondContact O-CB 3.38Å; C348-W350 VanDerWaalsContact SG-CZ3 3.6Å; W350-S355 PolarHBondContact NE1-O 3.21Å; W350-P356 WeakPolarHBondContact CZ2-O 3.47Å; W350-G357 WeakPolarHBondContact CZ2-O 3.31Å; W350-Y358 VanDerWaalsContact O-CB 3.22Å; W350-Y358 WeakPolarHBondContact O-CB 3.48Å
351D90.6Very high90Very high63 Ų6336.1 Ų36.134%0.33718%0.184SC..  trans-66.1139.8178.4176.629.1000112.6F327 I353 V354F327-D351 HydrophobicContact CZ-CB 4.25Å; D351-I353 PolarHBondContact O-N 3.3Å; D351-I353 WeakPolarHBondContact OD2-CB 3.35Å; D351-V354 HydrophobicContact CB-CG2 4Å; D351-V354 PolarHBondContact O-N 2.94Å
352K85.9Confident89.7Confident82 Ų8238.8 Ų38.836%0.35720%0.196SC..THydrogen-bonded Turntrans-52.5-29.2-178.8177.3171.5-171.6177.30112.4D257 V354 Y358D257-K352 IonicContact OD2-NZ 3.46Å; D257-K352 PolarHBondContact OD2-NZ 2.92Å; K352-V354 VanDerWaalsContact C-N 3.33Å; K352-Y358 HydrophobicContact CB-CD1 4.02Å; K352-Y358 HydrophobicContact CB-CE1 3.83Å; K352-Y358 HydrophobicContact CD-CE1 3.91Å; K352-Y358 WeakPolarHBondContact CD-OH 3.5Å; K352-Y358 HydrophobicContact CG-CD1 4.13Å; K352-Y358 HydrophobicContact CG-CE1 3.52Å
353I84.6Confident89.5Confident111 Ų11142.7 Ų42.757%0.56922%0.22SC*.THydrogen-bonded Turntrans-74.8-22.8-176.3-56.7173.2000112.3Y262 D351Y262-I353 WeakPolarHBondContact CE1-O 3.4Å; Y262-I353 VanDerWaalsContact OH-C 3.24Å; Y262-I353 WeakPolarHBondContact OH-CA 3.5Å; Y262-I353 PolarHBondContact OH-O 3.3Å; D351-I353 PolarHBondContact O-N 3.3Å; D351-I353 WeakPolarHBondContact OD2-CB 3.35Å
354V84.4Confident89.4Confident38 Ų3844.5 Ų44.523%0.2323%0.23CC..THydrogen-bonded Turntrans-86.8-39.7-169.6-157.70000112.4R330 R334 D351 K352R330-V354 HydrophobicContact CB-CG1 4.46Å; R330-V354 HydrophobicContact CB-CG2 4.16Å; R330-V354 HydrophobicContact CG-CG1 3.95Å; R330-V354 HydrophobicContact CG-CG2 4.24Å; R334-V354 PolarHBondContact NH1-O 3.06Å; D351-V354 HydrophobicContact CB-CG2 4Å; D351-V354 PolarHBondContact O-N 2.94Å; K352-V354 VanDerWaalsContact C-N 3.33Å
355S80.2Confident89.2Confident8 Ų849.2 Ų49.26%0.05626%0.26CS..  trans-164.3150.9-179.3178.80000111.4R334 W350R334-S355 PolarHBondContact NH2-OG 3.05Å; W350-S355 PolarHBondContact NE1-O 3.21Å
356P83.5Confident89.2Confident21 Ų2151.1 Ų51.114%0.13627%0.268CS..THydrogen-bonded Turntrans-58.9154.4162.428.5-35.9000110.6E271 F272 W350E271-P356 HydrophobicContact CB-CG 3.8Å; F272-P356 HydrophobicContact CD1-CB 4.03Å; F272-P356 HydrophobicContact CE1-CB 3.62Å; F272-P356 HydrophobicContact CZ-CB 3.9Å; W350-P356 WeakPolarHBondContact CZ2-O 3.47Å
357G83.5Confident89.3Confident2 Ų251.2 Ų51.22%0.02127%0.268CS..THydrogen-bonded Turntrans101.69.3174.100000116S277 W350S277-G357 VanDerWaalsContact CB-O 3.28Å; S277-G357 WeakPolarHBondContact CB-O 3.37Å; S277-G357 PolarHBondContact OG-O 3Å; W350-G357 WeakPolarHBondContact CZ2-O 3.31Å
358Y87.7Confident89.3Confident78 Ų7849.5 Ų49.531%0.30626%0.262SS..  trans-62.1145.8169.871.4-87000110.6W350 K352W350-Y358 VanDerWaalsContact O-CB 3.22Å; W350-Y358 WeakPolarHBondContact O-CB 3.48Å; K352-Y358 HydrophobicContact CB-CD1 4.02Å; K352-Y358 HydrophobicContact CB-CE1 3.83Å; K352-Y358 HydrophobicContact CD-CE1 3.91Å; K352-Y358 WeakPolarHBondContact CD-OH 3.5Å; K352-Y358 HydrophobicContact CG-CD1 4.13Å; K352-Y358 HydrophobicContact CG-CE1 3.52Å
359T87.6Confident89.4Confident64 Ų6450.4 Ų50.439%0.39327%0.265SS..  trans-107.9-39.3179.9520000111.7F278 C348 S349F278-T359 HydrophobicContact CE1-CG2 4.05Å; F278-T359 HydrophobicContact CZ-CG2 4.39Å; C348-T359 PolarHBondContact O-OG1 3.32Å; S349-T359 VanDerWaalsContact CB-OG1 3.31Å; S349-T359 WeakPolarHBondContact CB-OG1 3.47Å; S349-T359 PolarHBondContact OG-N 3.24Å; S349-T359 PolarHBondContact OG-OG1 2.99Å
360F91.8Very high89.4Confident13 Ų1350.4 Ų50.46%0.05727%0.265CS..SBendtrans-139.2156.4177.946.8-98.8000111.5R325 F326 F327 E347 S349 D364 I367R325-F360 HydrophobicContact CB-CE1 4.29Å; R325-F360 HydrophobicContact CB-CZ 3.92Å; R325-F360 HydrophobicContact CG-CE1 4.13Å; R325-F360 HydrophobicContact CG-CZ 4.27Å; F326-F360 WeakPolarHBondContact O-CZ 3.45Å; F327-F360 HydrophobicContact CB-CE2 4.48Å; F327-F360 HydrophobicContact CD2-CD2 4.33Å; F327-F360 HydrophobicContact CD2-CE2 4.26Å; E347-F360 HydrophobicContact CB-CE1 4.13Å; S349-F360 VanDerWaalsContact CB-CZ 3.45Å; S349-F360 WeakPolarHBondContact CB-O 3.23Å; S349-F360 PolarHBondContact OG-N 2.67Å; S349-F360 PolarHBondContact OG-O 3.05Å; F360-D364 HydrophobicContact CB-CB 4.37Å; F360-D364 WeakPolarHBondContact CB-OD2 3.43Å; F360-I367 HydrophobicContact CD2-CD1 4.02Å; F360-I367 HydrophobicContact CD2-CG1 3.84Å; F360-I367 HydrophobicContact CE2-CD1 4.21Å; F360-I367 HydrophobicContact CE2-CG1 3.79Å
361Q91.6Very high89.5Confident120 Ų12050.2 Ų50.256%0.56126%0.264SS*.  trans-90.4164-177.3-65.7-174.2-53.300112.1D363 D364 I367Q361-D363 PolarHBondContact O-N 3.46Å; Q361-D364 VanDerWaalsContact O-CB 3.28Å; Q361-D364 WeakPolarHBondContact O-CB 3.36Å; Q361-D364 PolarHBondContact O-N 3.48Å; Q361-D364 VanDerWaalsContact O-N 3.13Å; Q361-I367 WeakPolarHBondContact O-CD1 3.47Å
362E89.6Confident89.7Confident56 Ų5647.3 Ų47.326%0.26225%0.249SC..THydrogen-bonded Turntrans-59.4-29.3-179.8-171.9171.1178.600113.2F327 M329 D364 Q370 K380 R383F327-E362 HydrophobicContact CD1-CG 4.22Å; F327-E362 HydrophobicContact CE1-CB 3.78Å; F327-E362 HydrophobicContact CE1-CG 3.74Å; F327-E362 HydrophobicContact CE2-CB 3.95Å; F327-E362 HydrophobicContact CZ-CB 3.46Å; F327-E362 VanDerWaalsContact CZ-CB 3.46Å; F327-E362 HydrophobicContact CZ-CG 3.99Å; M329-E362 WeakPolarHBondContact CE-OE1 3.17Å; E362-D364 PolarHBondContact O-N 3.34Å; E362-Q370 PolarHBondContact OE1-NE2 3.4Å; E362-K380 PolarHBondContact O-NZ 3.27Å; E362-K380 VanDerWaalsContact O-NZ 3.15Å; E362-R383 VanDerWaalsContact O-CZ 3.26Å; E362-R383 PolarHBondContact O-NH1 2.93Å; E362-R383 PolarHBondContact O-NH2 3.49Å
363D89.5Confident89.9Confident123 Ų12347.4 Ų47.466%0.65825%0.253SS*.THydrogen-bonded Turntrans-79.6-5-178.2-62.9-38.7000114.2Q361 P365 K380Q361-D363 PolarHBondContact O-N 3.46Å; D363-P365 WeakPolarHBondContact O-CD 3.14Å; D363-K380 IonicContact OD1-NZ 3.4Å; D363-K380 PolarHBondContact OD1-NZ 3.15Å
364D91.5Very high90Very high41 Ų4150.4 Ų50.422%0.21926%0.257CS..  trans-64.9121.8179.3-167.5-23000110.8F360 Q361 E362 T366 I367 R383F360-D364 HydrophobicContact CB-CB 4.37Å; F360-D364 WeakPolarHBondContact CB-OD2 3.43Å; Q361-D364 VanDerWaalsContact O-CB 3.28Å; Q361-D364 WeakPolarHBondContact O-CB 3.36Å; Q361-D364 PolarHBondContact O-N 3.48Å; Q361-D364 VanDerWaalsContact O-N 3.13Å; E362-D364 PolarHBondContact O-N 3.34Å; D364-T366 PolarHBondContact O-N 3.41Å; D364-T366 WeakPolarHBondContact OD1-CB 3.46Å; D364-T366 WeakPolarHBondContact OD1-CG2 3.42Å; D364-T366 PolarHBondContact OD1-N 3.41Å; D364-T366 PolarHBondContact OD1-OG1 3.29Å; D364-T366 PolarHBondContact OD2-OG1 2.78Å; D364-T366 VanDerWaalsContact OD2-OG1 3.08Å; D364-I367 HydrophobicContact CB-CD1 4.11Å; D364-I367 HydrophobicContact CB-CG1 4.24Å; D364-I367 WeakPolarHBondContact O-CD1 3.39Å; D364-I367 WeakPolarHBondContact O-CG1 3.23Å; D364-R383 PolarHBondContact O-NH2 2.85Å
365P91Very high90Very high99 Ų9953.8 Ų53.864%0.64328%0.28SS*.THydrogen-bonded Turntrans-70.4-12177.829.3-36000113.5D363 I367D363-P365 WeakPolarHBondContact O-CD 3.14Å; P365-I367 PolarHBondContact O-N 2.83Å
366T92.5Very high89.9Confident63 Ų6356.4 Ų56.439%0.38729%0.292SS..THydrogen-bonded Turntrans-80.1-0.7179.765.40000114.3R325 D364 D368R325-T366 WeakPolarHBondContact CD-O 3.45Å; R325-T366 PolarHBondContact NH1-OG1 2.87Å; D364-T366 PolarHBondContact O-N 3.41Å; D364-T366 WeakPolarHBondContact OD1-CB 3.46Å; D364-T366 WeakPolarHBondContact OD1-CG2 3.42Å; D364-T366 PolarHBondContact OD1-N 3.41Å; D364-T366 PolarHBondContact OD1-OG1 3.29Å; D364-T366 PolarHBondContact OD2-OG1 2.78Å; D364-T366 VanDerWaalsContact OD2-OG1 3.08Å; T366-D368 PolarHBondContact O-N 3.34Å
367I94.5Very high89.6Confident2 Ų261.9 Ų61.91%0.0133%0.326CS..  trans-73.8120.5178.2-64.9166.7000109.6F327 F360 Q361 D364 P365 Y369 R383F327-I367 HydrophobicContact CB-CD1 3.93Å; F327-I367 HydrophobicContact CB-CG1 4.43Å; F327-I367 HydrophobicContact CB-CG2 3.82Å; F327-I367 HydrophobicContact CD2-CD1 3.95Å; F327-I367 HydrophobicContact CG-CD1 4.1Å; F360-I367 HydrophobicContact CD2-CD1 4.02Å; F360-I367 HydrophobicContact CD2-CG1 3.84Å; F360-I367 HydrophobicContact CE2-CD1 4.21Å; F360-I367 HydrophobicContact CE2-CG1 3.79Å; Q361-I367 WeakPolarHBondContact O-CD1 3.47Å; D364-I367 HydrophobicContact CB-CD1 4.11Å; D364-I367 HydrophobicContact CB-CG1 4.24Å; D364-I367 WeakPolarHBondContact O-CD1 3.39Å; D364-I367 WeakPolarHBondContact O-CG1 3.23Å; P365-I367 PolarHBondContact O-N 2.83Å; I367-Y369 WeakPolarHBondContact CG2-O 3.47Å; I367-R383 VanDerWaalsContact O-CB 3.31Å; I367-R383 WeakPolarHBondContact O-CB 3.29Å
368D94.4Very high89.6Confident50 Ų5068 Ų6827%0.26736%0.358SS..  trans-81.8-46.6175.9-60.6-69000111.8K324 R325 T366 Y384K324-D368 VanDerWaalsContact CA-OD2 3.31Å; K324-D368 WeakPolarHBondContact CA-OD2 3.3Å; R325-D368 PolarHBondContact N-OD2 3.47Å; R325-D368 PolarHBondContact O-N 2.97Å; R325-D368 VanDerWaalsContact O-N 3.12Å; T366-D368 PolarHBondContact O-N 3.34Å; D368-Y384 PolarHBondContact O-N 3.17Å
369Y95.5Very high89.4Confident20 Ų2069.1 Ų69.18%0.07837%0.367CS..EExtended strand (participates in β ladder)trans-126.7134.1-172.1-60.7-79.9000111.1K324 R325 F326 F327 I367 Y384 W390 T403K324-Y369 HydrophobicContact CB-CD2 4.47Å; K324-Y369 HydrophobicContact CB-CE2 4.31Å; K324-Y369 HydrophobicContact CD-CE2 4.07Å; K324-Y369 HydrophobicContact CG-CE2 4.21Å; R325-Y369 PolarHBondContact O-N 3.37Å; R325-Y369 VanDerWaalsContact O-N 3.09Å; F326-Y369 CarbonylContact C-O 3.52Å; F326-Y369 WeakPolarHBondContact CA-O 3.37Å; F326-Y369 HydrophobicContact CD1-CD2 4.38Å; F326-Y369 HydrophobicContact CD1-CG 4.26Å; F326-Y369 AromaticContact CE1-CD2 3.77Å; F326-Y369 HydrophobicContact CE1-CD2 3.77Å; F326-Y369 AromaticContact CE1-CG 3.74Å; F326-Y369 HydrophobicContact CE1-CG 3.74Å; F326-Y369 HydrophobicContact CE2-CD2 4.03Å; F326-Y369 AromaticContact CZ-CD2 3.56Å; F326-Y369 HydrophobicContact CZ-CD2 3.56Å; F326-Y369 HydrophobicContact CZ-CE2 4.18Å; F326-Y369 HydrophobicContact CZ-CG 4.03Å; F327-Y369 PolarHBondContact N-O 2.94Å; I367-Y369 WeakPolarHBondContact CG2-O 3.47Å; Y369-Y384 CarbonylContact C-O 3.55Å; Y369-Y384 WeakPolarHBondContact CA-O 3.19Å; Y369-Y384 HydrophobicContact CE1-CD2 4.17Å; Y369-Y384 HydrophobicContact CE1-CG 4.38Å; Y369-W390 HydrophobicContact CD1-CH2 4.08Å; Y369-W390 HydrophobicContact CD1-CZ3 4.32Å; Y369-W390 AromaticContact CE1-CH2 3.7Å; Y369-W390 HydrophobicContact CE1-CH2 3.7Å; Y369-W390 HydrophobicContact CE1-CZ2 4.05Å; Y369-W390 HydrophobicContact CE1-CZ3 4.38Å; Y369-W390 HydrophobicContact CE2-CH2 4.27Å; Y369-W390 AromaticContact CZ-CH2 3.81Å; Y369-T403 HydrophobicContact CD1-CG2 4.48Å; Y369-T403 HydrophobicContact CE1-CG2 3.86Å
370Q94.8Very high89.3Confident0 Ų069.1 Ų69.10%036%0.361CS..EExtended strand (participates in β ladder)trans-116.6113.8172.9-175.2161.1-21.400109F327 E362 V372 Y384 Y385 V386F327-Q370 HydrophobicContact CD1-CG 4.25Å; F327-Q370 WeakPolarHBondContact O-CA 3.5Å; E362-Q370 PolarHBondContact OE1-NE2 3.4Å; Q370-V372 HydrophobicContact CG-CG2 3.76Å; Q370-Y384 PolarHBondContact N-O 3.31Å; Q370-Y385 HydrophobicContact CB-CD1 4.08Å; Q370-Y385 HydrophobicContact CB-CE1 4.09Å; Q370-Y385 VanDerWaalsContact CD-CE1 3.42Å; Q370-Y385 HydrophobicContact CG-CD1 4.09Å; Q370-Y385 HydrophobicContact CG-CE1 3.85Å; Q370-Y385 WeakPolarHBondContact O-CA 3.42Å; Q370-Y385 PolarHBondContact OE1-OH 2.78Å; Q370-V386 PolarHBondContact O-N 2.83Å
371V95.3Very high89.1Confident0 Ų077.1 Ų77.10%040%0.404CS..EExtended strand (participates in β ladder)trans-87.3117.6-178.4-171.40000108.7F326 F327 L328 M329 V332 V386 P388 V391F326-V371 HydrophobicContact CD1-CG2 3.97Å; F327-V371 PolarHBondContact O-N 3.1Å; L328-V371 HydrophobicContact CD2-CB 3.82Å; L328-V371 HydrophobicContact CD2-CG2 3.68Å; M329-V371 WeakPolarHBondContact CB-O 3.33Å; M329-V371 PolarHBondContact N-O 3.15Å; M329-V371 VanDerWaalsContact N-O 3.15Å; V332-V371 HydrophobicContact CG1-CG1 3.91Å; V332-V371 HydrophobicContact CG2-CG1 4.06Å; V332-V371 WeakPolarHBondContact CG2-O 3.46Å; V371-V386 CarbonylContact C-O 3.59Å; V371-V386 VanDerWaalsContact CA-O 3.26Å; V371-V386 WeakPolarHBondContact CA-O 3.45Å; V371-V386 HydrophobicContact CG2-CG2 4.21Å; V371-P388 HydrophobicContact CG1-CB 4.03Å; V371-V391 HydrophobicContact CG2-CG2 4.47Å
372V93.6Very high89Confident3 Ų376 Ų762%0.01841%0.406CS..  trans-137.7134-174.8-167.70000109.3M329 E331 Q370 R374 Y385 V386 Q387 P408M329-V372 HydrophobicContact CG-CB 4.49Å; M329-V372 HydrophobicContact CG-CG1 4.37Å; M329-V372 HydrophobicContact CG-CG2 3.81Å; E331-V372 WeakPolarHBondContact OE1-CG1 3.39Å; Q370-V372 HydrophobicContact CG-CG2 3.76Å; V372-R374 WeakPolarHBondContact CG1-O 3.37Å; V372-Y385 HydrophobicContact CG2-CD1 3.8Å; V372-Y385 HydrophobicContact CG2-CE1 4.3Å; V372-V386 PolarHBondContact N-O 3.34Å; V372-Q387 WeakPolarHBondContact O-CA 3.42Å; V372-P408 HydrophobicContact CB-CG 4.23Å
373D89.9Confident89.1Confident83 Ų8374 Ų7444%0.44440%0.396SS..SBendtrans-101.8-28.8178.2-167.541000112E331 P388E331-D373 HydrophobicContact CG-CB 3.75Å; E331-D373 PolarHBondContact OE1-N 3.05Å; D373-P388 HydrophobicContact CB-CG 4.36Å
374R87.9Confident89.3Confident175 Ų17574.7 Ų74.766%0.6639%0.39SS*.SBendtrans-90.4144.4178.6-69.4175.6-177.6-99.7-3.7111.3E331 V372 M376E331-R374 HydrophobicContact CG-CG 4.27Å; V372-R374 WeakPolarHBondContact CG1-O 3.37Å; R374-M376 PolarHBondContact O-N 3.1Å
375P83.9Confident89.4Confident109 Ų10973.2 Ų73.271%0.70838%0.381SS*.  trans-60.6131.4171.926.6-33.5000109.6
376M79.1Confident89.6Confident63 Ų6368.5 Ų68.531%0.3135%0.351SS..  trans-118.3137.8-175.8-167.1175.9-136.800109.7M329 R374 M379 Y385M329-M376 HydrophobicContact CE-CE 3.65Å; R374-M376 PolarHBondContact O-N 3.1Å; M376-M379 WeakPolarHBondContact O-CE 3.49Å; M376-Y385 HydrophobicContact SD-CE1 4Å
377T76.9Confident89.6Confident136 Ų13666.4 Ų66.483%0.83434%0.336SS*.SBendtrans-80.6-38.5178.6-44.20000111.9
378D82.3Confident89.6Confident131 Ų13167 Ų6770%0.70134%0.34SS*.  trans-101.2101.7-173.7-61.3-27.6000110.7
379M84Confident89.6Confident100 Ų10065.8 Ų65.849%0.49333%0.333SS..  trans-107.9128.1176.9-63-174.2-17200110.9M376 Y385M376-M379 WeakPolarHBondContact O-CE 3.49Å; M379-Y385 HydrophobicContact CB-CD2 4.05Å; M379-Y385 HydrophobicContact CB-CE2 3.67Å; M379-Y385 HydrophobicContact CG-CD2 4.14Å; M379-Y385 HydrophobicContact CG-CE1 4.47Å; M379-Y385 HydrophobicContact CG-CE2 4.1Å; M379-Y385 HydrophobicContact CG-CG 4.37Å; M379-Y385 HydrophobicContact SD-CD2 4.31Å; M379-Y385 HydrophobicContact SD-CG 4.4Å
380K86.6Confident89.7Confident64 Ų6464.9 Ų64.928%0.27833%0.329SS..  trans-80127.8174.3-66177.9178.8178.60109.7E362 D363 T382 R383 Y385E362-K380 PolarHBondContact O-NZ 3.27Å; E362-K380 VanDerWaalsContact O-NZ 3.15Å; D363-K380 IonicContact OD1-NZ 3.4Å; D363-K380 PolarHBondContact OD1-NZ 3.15Å; K380-T382 PolarHBondContact O-N 3.38Å; K380-T382 VanDerWaalsContact O-N 3.15Å; K380-R383 HydrophobicContact CB-CG 4.32Å; K380-Y385 PolarHBondContact N-OH 3.34Å; K380-Y385 WeakPolarHBondContact O-CE2 3.45Å
381L86Confident89.7Confident182 Ų18264.9 Ų64.995%0.95333%0.329SS*.THydrogen-bonded Turntrans-66-17.9-177.8-166.763.7000113.8R383L381-R383 VanDerWaalsContact C-N 3.27Å; L381-R383 PolarHBondContact O-N 3.41Å
382T89.2Confident89.7Confident97 Ų9764.9 Ų64.960%0.59533%0.329SS*.THydrogen-bonded Turntrans-75.9-9-174.454.20000114.8K380K380-T382 PolarHBondContact O-N 3.38Å; K380-T382 VanDerWaalsContact O-N 3.15Å
383R92.3Very high89.8Confident13 Ų1365.6 Ų65.65%0.04933%0.333CS..SBendtrans-143159-169.565.7-172.266.9179.4-0.8112E362 D364 I367 K380 L381 Y385E362-R383 VanDerWaalsContact O-CZ 3.26Å; E362-R383 PolarHBondContact O-NH1 2.93Å; E362-R383 PolarHBondContact O-NH2 3.49Å; D364-R383 PolarHBondContact O-NH2 2.85Å; I367-R383 VanDerWaalsContact O-CB 3.31Å; I367-R383 WeakPolarHBondContact O-CB 3.29Å; K380-R383 HydrophobicContact CB-CG 4.32Å; L381-R383 VanDerWaalsContact C-N 3.27Å; L381-R383 PolarHBondContact O-N 3.41Å; R383-Y385 HydrophobicContact CG-CD2 4.4Å; R383-Y385 HydrophobicContact CG-CE2 3.77Å
384Y93.4Very high90Very high138 Ų13861.6 Ų61.654%0.54131%0.312SS..EExtended strand (participates in β ladder)trans-92.4126.5176.3-64-79000111.1D368 Y369 Q370 T403D368-Y384 PolarHBondContact O-N 3.17Å; Y369-Y384 CarbonylContact C-O 3.55Å; Y369-Y384 WeakPolarHBondContact CA-O 3.19Å; Y369-Y384 HydrophobicContact CE1-CD2 4.17Å; Y369-Y384 HydrophobicContact CE1-CG 4.38Å; Q370-Y384 PolarHBondContact N-O 3.31Å; Y384-T403 HydrophobicContact CG-CG2 4.47Å
385Y93.9Very high90.3Very high10 Ų1053.4 Ų53.44%0.03928%0.281CS..EExtended strand (participates in β ladder)trans-89.8126.8173.1-71.2-96.7000109.6Q370 V372 M376 M379 K380 R383 L407Q370-Y385 HydrophobicContact CB-CD1 4.08Å; Q370-Y385 HydrophobicContact CB-CE1 4.09Å; Q370-Y385 VanDerWaalsContact CD-CE1 3.42Å; Q370-Y385 HydrophobicContact CG-CD1 4.09Å; Q370-Y385 HydrophobicContact CG-CE1 3.85Å; Q370-Y385 WeakPolarHBondContact O-CA 3.42Å; Q370-Y385 PolarHBondContact OE1-OH 2.78Å; V372-Y385 HydrophobicContact CG2-CD1 3.8Å; V372-Y385 HydrophobicContact CG2-CE1 4.3Å; M376-Y385 HydrophobicContact SD-CE1 4Å; M379-Y385 HydrophobicContact CB-CD2 4.05Å; M379-Y385 HydrophobicContact CB-CE2 3.67Å; M379-Y385 HydrophobicContact CG-CD2 4.14Å; M379-Y385 HydrophobicContact CG-CE1 4.47Å; M379-Y385 HydrophobicContact CG-CE2 4.1Å; M379-Y385 HydrophobicContact CG-CG 4.37Å; M379-Y385 HydrophobicContact SD-CD2 4.31Å; M379-Y385 HydrophobicContact SD-CG 4.4Å; K380-Y385 PolarHBondContact N-OH 3.34Å; K380-Y385 WeakPolarHBondContact O-CE2 3.45Å; R383-Y385 HydrophobicContact CG-CD2 4.4Å; R383-Y385 HydrophobicContact CG-CE2 3.77Å; Y385-L407 WeakPolarHBondContact O-CD2 3.27Å
386V94.9Very high90.8Very high0 Ų050.5 Ų50.50%026%0.26CS..EExtended strand (participates in β ladder)trans-138.2147.7-178.9-65.70000111.5Q370 V371 V372 W390 T403 Y406Q370-V386 PolarHBondContact O-N 2.83Å; V371-V386 CarbonylContact C-O 3.59Å; V371-V386 VanDerWaalsContact CA-O 3.26Å; V371-V386 WeakPolarHBondContact CA-O 3.45Å; V371-V386 HydrophobicContact CG2-CG2 4.21Å; V372-V386 PolarHBondContact N-O 3.34Å; V386-W390 HydrophobicContact CB-CB 4.18Å; V386-W390 HydrophobicContact CB-CD2 4.45Å; V386-W390 HydrophobicContact CB-CG 4.29Å; V386-W390 HydrophobicContact CG1-CD2 4.3Å; V386-W390 HydrophobicContact CG1-CG 4.31Å; V386-W390 HydrophobicContact CG2-CD2 4.4Å; V386-W390 HydrophobicContact CG2-CE3 4.1Å; V386-T403 HydrophobicContact CG1-CG2 3.85Å; V386-Y406 CarbonylContact C-O 3.55Å; V386-Y406 WeakPolarHBondContact CA-O 3.39Å
387Q94.1Very high91.4Very high18 Ų1849.9 Ų49.98%0.08427%0.265CS..  trans-75.1152.3171.2-71-171.154.700111.1V372 Q389 W390 Y406 L407 C410 L412V372-Q387 WeakPolarHBondContact O-CA 3.42Å; Q387-Q389 PolarHBondContact O-N 3.42Å; Q387-Q389 VanDerWaalsContact O-N 3.09Å; Q387-W390 WeakPolarHBondContact O-CB 3.5Å; Q387-W390 PolarHBondContact O-N 2.94Å; Q387-Y406 WeakPolarHBondContact CG-O 3.26Å; Q387-Y406 PolarHBondContact N-O 3.5Å; Q387-L407 PolarHBondContact NE2-O 2.92Å; Q387-C410 PolarHBondContact NE2-O 3.46Å; Q387-L412 HydrophobicContact CB-CD2 4.05Å; Q387-L412 HydrophobicContact CG-CD2 4.31Å
388P94.1Very high92.1Very high14 Ų1444.8 Ų44.89%0.09124%0.24CC..THydrogen-bonded Turntrans-56.9-29.1-175.820.4-33.4000114.3V332 I337 V371 D373 W390 V391 F392V332-P388 HydrophobicContact CG1-CB 4.39Å; I337-P388 HydrophobicContact CD1-CB 3.51Å; V371-P388 HydrophobicContact CG1-CB 4.03Å; D373-P388 HydrophobicContact CB-CG 4.36Å; P388-W390 PolarHBondContact O-N 3.22Å; P388-V391 PolarHBondContact O-N 2.67Å; P388-F392 WeakPolarHBondContact O-CD2 3.43Å
389Q94.6Very high92.6Very high25 Ų2546.8 Ų46.812%0.11724%0.237CC..Hα-helixtrans-56.3-33.5177.6-170.7-178.4-45.600112.6Q387 V391 F392 D393 Y406 L412 P413 H415Q387-Q389 PolarHBondContact O-N 3.42Å; Q387-Q389 VanDerWaalsContact O-N 3.09Å; Q389-V391 PolarHBondContact O-N 2.85Å; Q389-F392 PolarHBondContact O-N 3.27Å; Q389-D393 PolarHBondContact NE2-OD2 3.49Å; Q389-D393 PolarHBondContact O-N 3.17Å; Q389-Y406 HydrophobicContact CB-CD1 4.34Å; Q389-Y406 HydrophobicContact CB-CE1 4.3Å; Q389-Y406 HydrophobicContact CG-CE1 4.12Å; Q389-L412 HydrophobicContact CB-CD1 4.15Å; Q389-P413 PolarHBondContact NE2-O 3.43Å; Q389-H415 HydrophobicContact CG-CB 4.36Å
390W95.8Very high93.1Very high1 Ų145.4 Ų45.40%0.00423%0.232CC..Hα-helixtrans-56.2-38.3-179.9-176.679.6000112.5F321 F326 Y369 V386 Q387 P388 F392 D393 C394 L400 L401 T403 Y406F321-W390 HydrophobicContact CE1-CH2 4.05Å; F321-W390 AromaticContact CE1-CZ3 3.9Å; F321-W390 HydrophobicContact CE1-CZ3 3.9Å; F321-W390 HydrophobicContact CZ-CZ3 4.33Å; F326-W390 HydrophobicContact CE1-CE3 4.38Å; F326-W390 AromaticContact CE1-CZ3 3.65Å; F326-W390 HydrophobicContact CE1-CZ3 3.65Å; F326-W390 HydrophobicContact CZ-CH2 4.4Å; F326-W390 AromaticContact CZ-CZ3 3.78Å; F326-W390 HydrophobicContact CZ-CZ3 3.78Å; Y369-W390 HydrophobicContact CD1-CH2 4.08Å; Y369-W390 HydrophobicContact CD1-CZ3 4.32Å; Y369-W390 AromaticContact CE1-CH2 3.7Å; Y369-W390 HydrophobicContact CE1-CH2 3.7Å; Y369-W390 HydrophobicContact CE1-CZ2 4.05Å; Y369-W390 HydrophobicContact CE1-CZ3 4.38Å; Y369-W390 HydrophobicContact CE2-CH2 4.27Å; Y369-W390 AromaticContact CZ-CH2 3.81Å; V386-W390 HydrophobicContact CB-CB 4.18Å; V386-W390 HydrophobicContact CB-CD2 4.45Å; V386-W390 HydrophobicContact CB-CG 4.29Å; V386-W390 HydrophobicContact CG1-CD2 4.3Å; V386-W390 HydrophobicContact CG1-CG 4.31Å; V386-W390 HydrophobicContact CG2-CD2 4.4Å; V386-W390 HydrophobicContact CG2-CE3 4.1Å; Q387-W390 WeakPolarHBondContact O-CB 3.5Å; Q387-W390 PolarHBondContact O-N 2.94Å; P388-W390 PolarHBondContact O-N 3.22Å; W390-F392 PolarHBondContact O-N 3.23Å; W390-D393 PolarHBondContact O-N 2.96Å; W390-C394 VanDerWaalsContact O-CB 3.26Å; W390-C394 WeakPolarHBondContact O-CB 3.38Å; W390-C394 PolarHBondContact O-N 3.34Å; W390-C394 PolarHBondContact O-SG 2.96Å; W390-L400 HydrophobicContact CH2-CD2 4.1Å; W390-L400 HydrophobicContact CZ2-CD2 4.46Å; W390-L401 PolarHBondContact NE1-O 3.16Å; W390-T403 HydrophobicContact CZ2-CG2 4.08Å; W390-Y406 HydrophobicContact CB-CD1 3.71Å; W390-Y406 HydrophobicContact CB-CD2 4.43Å; W390-Y406 HydrophobicContact CB-CE1 4.33Å; W390-Y406 HydrophobicContact CB-CG 3.76Å; W390-Y406 AromaticContact CD1-CD2 3.48Å; W390-Y406 VanDerWaalsContact CD1-CD2 3.48Å; W390-Y406 AromaticContact CD1-CE2 3.94Å; W390-Y406 AromaticContact CD1-CG 3.66Å; W390-Y406 HydrophobicContact CG-CD1 4.45Å; W390-Y406 HydrophobicContact CG-CD2 4.34Å; W390-Y406 HydrophobicContact CG-CG 4.1Å
391V95.8Very high93.5Very high0 Ų044 Ų440%023%0.227CC..Hα-helixtrans-65.6-39.7179.6178.10000111.3F321 I337 I340 I341 V371 P388 Q389 L395F321-V391 HydrophobicContact CE2-CG1 4.28Å; I337-V391 HydrophobicContact CG2-CG2 4.44Å; I340-V391 HydrophobicContact CB-CG1 4.15Å; I340-V391 HydrophobicContact CG2-CG1 3.7Å; I341-V391 HydrophobicContact CD1-CG2 4.5Å; I341-V391 HydrophobicContact CG1-CG1 3.95Å; V371-V391 HydrophobicContact CG2-CG2 4.47Å; P388-V391 PolarHBondContact O-N 2.67Å; Q389-V391 PolarHBondContact O-N 2.85Å; V391-L395 WeakPolarHBondContact O-CB 3.36Å; V391-L395 PolarHBondContact O-N 2.89Å; V391-L395 VanDerWaalsContact O-N 3.17Å
392F95.4Very high93.8Very high0 Ų038.8 Ų38.80%020%0.204CC..Hα-helixtrans-72.1-43.5179-69.5-101.7000111.3A181 I183 F188 A336 I337 I340 P388 Q389 W390 L395 N396A181-F392 HydrophobicContact CB-CD1 3.58Å; A181-F392 HydrophobicContact CB-CE1 3.89Å; I183-F392 HydrophobicContact CD1-CD1 4.32Å; I183-F392 HydrophobicContact CD1-CD2 3.58Å; I183-F392 HydrophobicContact CD1-CE1 4.33Å; I183-F392 HydrophobicContact CD1-CE2 3.58Å; I183-F392 HydrophobicContact CD1-CG 3.97Å; I183-F392 HydrophobicContact CD1-CZ 3.98Å; I183-F392 HydrophobicContact CG1-CD1 3.72Å; I183-F392 HydrophobicContact CG1-CD2 3.93Å; I183-F392 HydrophobicContact CG1-CE1 3.65Å; I183-F392 HydrophobicContact CG1-CE2 3.85Å; I183-F392 HydrophobicContact CG1-CG 3.86Å; I183-F392 HydrophobicContact CG1-CZ 3.72Å; F188-F392 HydrophobicContact CD1-CE1 4.01Å; F188-F392 AromaticContact CD1-CZ 3.67Å; F188-F392 HydrophobicContact CD1-CZ 3.67Å; F188-F392 HydrophobicContact CE1-CZ 4.05Å; A336-F392 HydrophobicContact CB-CZ 4.43Å; I337-F392 HydrophobicContact CD1-CE2 4.36Å; I337-F392 HydrophobicContact CG1-CE2 3.81Å; I337-F392 HydrophobicContact CG1-CZ 4.35Å; I340-F392 HydrophobicContact CD1-CD1 3.73Å; I340-F392 HydrophobicContact CD1-CD2 4.41Å; I340-F392 HydrophobicContact CD1-CE1 3.47Å; I340-F392 VanDerWaalsContact CD1-CE1 3.47Å; I340-F392 HydrophobicContact CD1-CE2 4.21Å; I340-F392 HydrophobicContact CD1-CG 4.19Å; I340-F392 HydrophobicContact CD1-CZ 3.73Å; P388-F392 WeakPolarHBondContact O-CD2 3.43Å; Q389-F392 PolarHBondContact O-N 3.27Å; W390-F392 PolarHBondContact O-N 3.23Å; F392-L395 PolarHBondContact O-N 3.22Å; F392-N396 VanDerWaalsContact O-CG 3.28Å; F392-N396 PolarHBondContact O-N 3.22Å; F392-N396 PolarHBondContact O-ND2 3.14Å
393D95.1Very high94Very high18 Ų1834.9 Ų34.910%0.09618%0.18CC..Hα-helixtrans-68.5-38.4-179.5-68.5-5.7000111.1Q389 W390 N396 A397 L401 Y406 H415Q389-D393 PolarHBondContact NE2-OD2 3.49Å; Q389-D393 PolarHBondContact O-N 3.17Å; W390-D393 PolarHBondContact O-N 2.96Å; D393-N396 PolarHBondContact O-N 3.12Å; D393-A397 WeakPolarHBondContact O-CB 3.34Å; D393-A397 PolarHBondContact O-N 3.09Å; D393-L401 HydrophobicContact CB-CD1 3.52Å; D393-Y406 HydrophobicContact CB-CE1 4.35Å; D393-Y406 WeakPolarHBondContact CB-OH 3.32Å; D393-Y406 VanDerWaalsContact OD2-CE1 3.25Å; D393-Y406 WeakPolarHBondContact OD2-CE1 3.09Å; D393-Y406 PolarHBondContact OD2-OH 3.03Å; D393-H415 IonicContact OD1-CE1 3.05Å; D393-H415 PolarHBondContact OD1-CE1 3.28Å; D393-H415 IonicContact OD1-ND1 3.14Å; D393-H415 PolarHBondContact OD1-ND1 2.98Å
394C95.2Very high94Very high0 Ų040 Ų400%020%0.204CC..Hα-helixtrans-62.3-42.8173-720000112.5L320 F321 W390 A397 G398 R399 L401L320-C394 HydrophobicContact CD2-CB 4.49Å; F321-C394 HydrophobicContact CE1-CB 4.43Å; F321-C394 HydrophobicContact CZ-CB 4.04Å; W390-C394 VanDerWaalsContact O-CB 3.26Å; W390-C394 WeakPolarHBondContact O-CB 3.38Å; W390-C394 PolarHBondContact O-N 3.34Å; W390-C394 PolarHBondContact O-SG 2.96Å; C394-A397 PolarHBondContact O-N 2.67Å; C394-G398 PolarHBondContact O-N 2.65Å; C394-R399 WeakPolarHBondContact CA-O 3.26Å; C394-R399 PolarHBondContact O-N 3.45Å; C394-L401 PolarHBondContact SG-N 2.94Å
395L94.6Very high93.9Very high2 Ų237.4 Ų37.41%0.0120%0.2CC..Hα-helixtrans-59.3-51.6175.6172.573.1000110.5V178 A181 V317 I340 V391 F392 A397 G398V178-L395 HydrophobicContact CG1-CD1 4.26Å; V178-L395 HydrophobicContact CG1-CD2 3.76Å; A181-L395 HydrophobicContact CB-CD2 3.57Å; V317-L395 HydrophobicContact CG1-CD1 3.87Å; I340-L395 HydrophobicContact CD1-CD2 4.38Å; I340-L395 HydrophobicContact CG1-CD2 4.27Å; I340-L395 HydrophobicContact CG2-CB 4.13Å; I340-L395 HydrophobicContact CG2-CD1 4.36Å; I340-L395 HydrophobicContact CG2-CD2 3.92Å; I340-L395 HydrophobicContact CG2-CG 4.36Å; V391-L395 WeakPolarHBondContact O-CB 3.36Å; V391-L395 PolarHBondContact O-N 2.89Å; V391-L395 VanDerWaalsContact O-N 3.17Å; F392-L395 PolarHBondContact O-N 3.22Å; L395-A397 VanDerWaalsContact C-N 3.31Å; L395-A397 PolarHBondContact O-N 3.48Å; L395-G398 PolarHBondContact O-N 3.16Å; L395-G398 VanDerWaalsContact O-N 3.13Å
396N93.2Very high93.9Very high48 Ų4837.5 Ų37.526%0.25720%0.2SC..Hα-helixtrans-68-31.3-176.2-67.8-26000112.6K180 A181 F392 D393 G398 P418K180-N396 WeakPolarHBondContact CA-OD1 3.19Å; A181-N396 PolarHBondContact N-OD1 2.88Å; A181-N396 PolarHBondContact O-ND2 3.3Å; A181-N396 PolarHBondContact O-OD1 3.32Å; F392-N396 VanDerWaalsContact O-CG 3.28Å; F392-N396 PolarHBondContact O-N 3.22Å; F392-N396 PolarHBondContact O-ND2 3.14Å; D393-N396 PolarHBondContact O-N 3.12Å; N396-G398 VanDerWaalsContact C-N 3.33Å; N396-P418 HydrophobicContact CB-CB 4.36Å
397A92.2Very high93.8Very high50 Ų5040.6 Ų40.641%0.41322%0.217SC..Hα-helixtrans-78.6-15.7174.700000113.3D393 C394 L395 R399 L401D393-A397 WeakPolarHBondContact O-CB 3.34Å; D393-A397 PolarHBondContact O-N 3.09Å; C394-A397 PolarHBondContact O-N 2.67Å; L395-A397 VanDerWaalsContact C-N 3.31Å; L395-A397 PolarHBondContact O-N 3.48Å; A397-R399 HydrophobicContact CB-CG 4.15Å; A397-R399 PolarHBondContact O-N 3.26Å; A397-L401 HydrophobicContact CB-CD1 4.47Å; A397-L401 HydrophobicContact CB-CD2 4.04Å; A397-L401 HydrophobicContact CB-CG 4.39Å
398G91.2Very high93.5Very high30 Ų3040.5 Ų40.531%0.30922%0.218SC..THydrogen-bonded Turntrans66.714.9-175.700000114.6C394 L395 N396C394-G398 PolarHBondContact O-N 2.65Å; L395-G398 PolarHBondContact O-N 3.16Å; L395-G398 VanDerWaalsContact O-N 3.13Å; N396-G398 VanDerWaalsContact C-N 3.33Å
399R93.3Very high93.2Very high172 Ų17243 Ų4365%0.64925%0.245SC*.SBendtrans-151.3158.2-17866.8-178.6-178.6178.2-0111.1C394 A397 L401C394-R399 WeakPolarHBondContact CA-O 3.26Å; C394-R399 PolarHBondContact O-N 3.45Å; A397-R399 HydrophobicContact CB-CG 4.15Å; A397-R399 PolarHBondContact O-N 3.26Å; R399-L401 PolarHBondContact O-N 3.47Å
400L94.3Very high92.8Very high72 Ų7244.6 Ų44.638%0.37726%0.259SS..PPolyproline II helixtrans-71119.6174.9-59179.2000109.8L320 F321 W390L320-L400 HydrophobicContact CD1-CD2 3.98Å; L320-L400 HydrophobicContact CD1-CG 4.18Å; L320-L400 HydrophobicContact CG-CD2 4.22Å; F321-L400 HydrophobicContact CD1-CD2 3.64Å; F321-L400 HydrophobicContact CE1-CD2 3.37Å; W390-L400 HydrophobicContact CH2-CD2 4.1Å; W390-L400 HydrophobicContact CZ2-CD2 4.46Å
401L94.1Very high92.6Very high33 Ų3350.1 Ų50.117%0.17330%0.298CS..PPolyproline II helixtrans-83.6155176.7-63.1175.5000111W390 D393 C394 A397 R399 T403 Y406W390-L401 PolarHBondContact NE1-O 3.16Å; D393-L401 HydrophobicContact CB-CD1 3.52Å; C394-L401 PolarHBondContact SG-N 2.94Å; A397-L401 HydrophobicContact CB-CD1 4.47Å; A397-L401 HydrophobicContact CB-CD2 4.04Å; A397-L401 HydrophobicContact CB-CG 4.39Å; R399-L401 PolarHBondContact O-N 3.47Å; L401-T403 PolarHBondContact O-N 3.02Å; L401-Y406 HydrophobicContact CB-CE2 4.49Å; L401-Y406 HydrophobicContact CD1-CE2 4.46Å
402P94Very high92.4Very high73 Ų7352.9 Ų52.947%0.47431%0.312SS..PPolyproline II helixtrans-54133.8173.5-24.334.5000111.7
403T92.9Very high92.2Very high16 Ų1654.7 Ų54.710%0.09832%0.324CS..SBendtrans-78.6-21.3-177.154.20000112.9Y369 Y384 V386 W390 L401 D405 Y406 L407Y369-T403 HydrophobicContact CD1-CG2 4.48Å; Y369-T403 HydrophobicContact CE1-CG2 3.86Å; Y384-T403 HydrophobicContact CG-CG2 4.47Å; V386-T403 HydrophobicContact CG1-CG2 3.85Å; W390-T403 HydrophobicContact CZ2-CG2 4.08Å; L401-T403 PolarHBondContact O-N 3.02Å; T403-D405 VanDerWaalsContact C-N 3.27Å; T403-D405 PolarHBondContact O-N 3.48Å; T403-Y406 PolarHBondContact O-N 2.97Å; T403-Y406 VanDerWaalsContact O-N 3.14Å; T403-L407 PolarHBondContact O-N 3.24Å
404Q91.6Very high92.1Very high119 Ų11958.9 Ų58.956%0.55635%0.352SS*.G310 helixtrans-60.6-36.8-175.5-64.782.212.400112.2Y406 L407Q404-Y406 PolarHBondContact O-N 3.27Å; Q404-L407 WeakPolarHBondContact O-CG 3.47Å
405D91.9Very high91.7Very high84 Ų8461 Ų6145%0.44936%0.362SS..G310 helixtrans-72.9-13-177.9-56.8-26.5000112.9T403 P413T403-D405 VanDerWaalsContact C-N 3.27Å; T403-D405 PolarHBondContact O-N 3.48Å; D405-P413 HydrophobicContact CB-CG 4.02Å
406Y94.1Very high91.4Very high12 Ų1266.8 Ų66.85%0.04739%0.392CS..G310 helixtrans-119.316.6-173.4-64.2-97.8000112.9V386 Q387 Q389 W390 D393 L401 T403 Q404 L412 P413V386-Y406 CarbonylContact C-O 3.55Å; V386-Y406 WeakPolarHBondContact CA-O 3.39Å; Q387-Y406 WeakPolarHBondContact CG-O 3.26Å; Q387-Y406 PolarHBondContact N-O 3.5Å; Q389-Y406 HydrophobicContact CB-CD1 4.34Å; Q389-Y406 HydrophobicContact CB-CE1 4.3Å; Q389-Y406 HydrophobicContact CG-CE1 4.12Å; W390-Y406 HydrophobicContact CB-CD1 3.71Å; W390-Y406 HydrophobicContact CB-CD2 4.43Å; W390-Y406 HydrophobicContact CB-CE1 4.33Å; W390-Y406 HydrophobicContact CB-CG 3.76Å; W390-Y406 AromaticContact CD1-CD2 3.48Å; W390-Y406 VanDerWaalsContact CD1-CD2 3.48Å; W390-Y406 AromaticContact CD1-CE2 3.94Å; W390-Y406 AromaticContact CD1-CG 3.66Å; W390-Y406 HydrophobicContact CG-CD1 4.45Å; W390-Y406 HydrophobicContact CG-CD2 4.34Å; W390-Y406 HydrophobicContact CG-CG 4.1Å; D393-Y406 HydrophobicContact CB-CE1 4.35Å; D393-Y406 WeakPolarHBondContact CB-OH 3.32Å; D393-Y406 VanDerWaalsContact OD2-CE1 3.25Å; D393-Y406 WeakPolarHBondContact OD2-CE1 3.09Å; D393-Y406 PolarHBondContact OD2-OH 3.03Å; L401-Y406 HydrophobicContact CB-CE2 4.49Å; L401-Y406 HydrophobicContact CD1-CE2 4.46Å; T403-Y406 PolarHBondContact O-N 2.97Å; T403-Y406 VanDerWaalsContact O-N 3.14Å; Q404-Y406 PolarHBondContact O-N 3.27Å; Y406-L412 HydrophobicContact CD1-CD2 3.86Å; Y406-L412 HydrophobicContact CG-CD2 4.37Å; Y406-P413 HydrophobicContact CE1-CG 4.34Å; Y406-P413 HydrophobicContact CE2-CG 3.99Å
407L91.5Very high91.2Very high66 Ų6665.9 Ų65.935%0.34639%0.39SS..  trans-61.5147.5176.7-70168.9000111.1Y385 Q387 T403 Q404 G409 C410Y385-L407 WeakPolarHBondContact O-CD2 3.27Å; Q387-L407 PolarHBondContact NE2-O 2.92Å; T403-L407 PolarHBondContact O-N 3.24Å; Q404-L407 WeakPolarHBondContact O-CG 3.47Å; L407-G409 PolarHBondContact O-N 3.23Å; L407-C410 HydrophobicContact CB-CB 4.4Å; L407-C410 WeakPolarHBondContact O-CB 3.44Å; L407-C410 PolarHBondContact O-N 3.15Å; L407-C410 VanDerWaalsContact O-N 3.13Å
408P89.7Confident90.9Very high16 Ų1664.9 Ų64.910%0.10438%0.379CS..THydrogen-bonded Turntrans-56.6124.5174.4-24.534.2000111.7V372V372-P408 HydrophobicContact CB-CG 4.23Å
409G86.4Confident90.5Very high65 Ų6564.1 Ų64.167%0.6737%0.367SS*.THydrogen-bonded Turntrans90.4-8.7-179.600000115.6L407L407-G409 PolarHBondContact O-N 3.23Å
410C87.3Confident89.2Confident60 Ų6062.4 Ų62.441%0.40537%0.37SS..SBendtrans-77.2155.1171-70.70000111.8Q387 L407 L412Q387-C410 PolarHBondContact NE2-O 3.46Å; L407-C410 HydrophobicContact CB-CB 4.4Å; L407-C410 WeakPolarHBondContact O-CB 3.44Å; L407-C410 PolarHBondContact O-N 3.15Å; L407-C410 VanDerWaalsContact O-N 3.13Å; C410-L412 PolarHBondContact O-N 3.36Å
411S90.8Very high87.3Confident117 Ų11762.4 Ų62.482%0.81839%0.387SS*.  trans-72.4111.617155.90000109.8
412L91.3Very high85.1Confident57 Ų5763.3 Ų63.330%0.29840%0.396SS..PPolyproline II helixtrans-68.1149.9-176.3-63.9176000112.7Q387 Q389 Y406 C410Q387-L412 HydrophobicContact CB-CD2 4.05Å; Q387-L412 HydrophobicContact CG-CD2 4.31Å; Q389-L412 HydrophobicContact CB-CD1 4.15Å; Y406-L412 HydrophobicContact CD1-CD2 3.86Å; Y406-L412 HydrophobicContact CG-CD2 4.37Å; C410-L412 PolarHBondContact O-N 3.36Å
413P92.5Very high82.3Confident39 Ų3965.9 Ų65.925%0.25342%0.416SS..PPolyproline II helixtrans-56.6154.9165-23.934.7000112Q389 D405 Y406 H415Q389-P413 PolarHBondContact NE2-O 3.43Å; D405-P413 HydrophobicContact CB-CG 4.02Å; Y406-P413 HydrophobicContact CE1-CG 4.34Å; Y406-P413 HydrophobicContact CE2-CG 3.99Å; P413-H415 PolarHBondContact O-N 2.96Å
414P91.5Very high79.9Confident106 Ų10666.8 Ų66.869%0.68843%0.428SS*.PPolyproline II helixtrans-63.5124.917826.2-33.7000111L416P414-L416 PolarHBondContact O-N 3.26Å; P414-L416 VanDerWaalsContact O-N 3.12Å
415H88.3Confident77.4Confident44 Ų4462 Ų6220%0.20441%0.407CS..  trans-77.598176.4-169.950.6000110.4F182 I183 Q389 D393 P413F182-H415 AromaticContact CD2-CD2 3.51Å; F182-H415 AromaticContact CD2-NE2 3.25Å; F182-H415 WeakPolarHBondContact CD2-NE2 3.3Å; F182-H415 AromaticContact CE2-CD2 3.38Å; F182-H415 WeakPolarHBondContact CE2-CD2 3.45Å; F182-H415 AromaticContact CE2-NE2 3.68Å; I183-H415 PolarHBondContact N-NE2 2.97Å; Q389-H415 HydrophobicContact CG-CB 4.36Å; D393-H415 IonicContact OD1-CE1 3.05Å; D393-H415 PolarHBondContact OD1-CE1 3.28Å; D393-H415 IonicContact OD1-ND1 3.14Å; D393-H415 PolarHBondContact OD1-ND1 2.98Å; P413-H415 PolarHBondContact O-N 2.96Å
416L87.3Confident74.8Confident123 Ų12364.3 Ų64.364%0.64442%0.419SS*.  trans-86.6139.2-178.5-62.8177.2000111.6P414P414-L416 PolarHBondContact O-N 3.26Å; P414-L416 VanDerWaalsContact O-N 3.12Å
417S89.8Confident72.2Confident30 Ų3070.1 Ų70.121%0.2145%0.447CS..  trans-71.7124.5175.8172.80000110.5F419 I420S417-F419 PolarHBondContact O-N 3.22Å; S417-F419 VanDerWaalsContact O-N 3.15Å; S417-F419 WeakPolarHBondContact OG-CD2 3.5Å; S417-F419 PolarHBondContact OG-N 2.92Å; S417-I420 WeakPolarHBondContact O-CG1 3.42Å; S417-I420 PolarHBondContact O-N 2.92Å
418P85.8Confident70Confident29 Ų2972 Ų7219%0.18846%0.457CS..THydrogen-bonded Turntrans-774.1177.837.9-40.2000112.3K180 N396K180-P418 HydrophobicContact CB-CB 4.34Å; K180-P418 HydrophobicContact CB-CG 3.89Å; K180-P418 HydrophobicContact CD-CB 3.96Å; K180-P418 HydrophobicContact CD-CG 4.21Å; K180-P418 HydrophobicContact CG-CB 4.32Å; K180-P418 HydrophobicContact CG-CG 4.41Å; K180-P418 PolarHBondContact NZ-O 3.34Å; N396-P418 HydrophobicContact CB-CB 4.36Å
419F82.7Confident67.8Low13 Ų1374.8 Ų74.86%0.05747%0.47CS..THydrogen-bonded Turntrans-95.5-4.1179.3-56.4-73.7000112.9K180 F182 Q191 V200 S417 G421 T425K180-F419 HydrophobicContact CB-CE1 4.27Å; K180-F419 HydrophobicContact CB-CZ 4.15Å; K180-F419 HydrophobicContact CD-CD1 4.47Å; K180-F419 HydrophobicContact CD-CE1 4.28Å; F182-F419 HydrophobicContact CB-CD2 4.31Å; F182-F419 HydrophobicContact CB-CE2 3.83Å; Q191-F419 HydrophobicContact CB-CE1 4.11Å; Q191-F419 HydrophobicContact CB-CZ 4.31Å; V200-F419 HydrophobicContact CG1-CE1 4.46Å; V200-F419 HydrophobicContact CG1-CZ 4.5Å; V200-F419 HydrophobicContact CG2-CE1 4.3Å; S417-F419 PolarHBondContact O-N 3.22Å; S417-F419 VanDerWaalsContact O-N 3.15Å; S417-F419 WeakPolarHBondContact OG-CD2 3.5Å; S417-F419 PolarHBondContact OG-N 2.92Å; F419-G421 PolarHBondContact O-N 3.47Å; F419-T425 HydrophobicContact CD1-CG2 4.29Å; F419-T425 PolarHBondContact O-OG1 3.38Å
420I65.2Low65.4Low137 Ų13777.3 Ų77.370%0.70347%0.468SS*.THydrogen-bonded Turntrans-72.9118.5176.3-59165.6000108.3S417S417-I420 WeakPolarHBondContact O-CG1 3.42Å; S417-I420 PolarHBondContact O-N 2.92Å
421G54.1Low63Low72 Ų7276.7 Ų76.774%0.74246%0.463SS*.THydrogen-bonded Turntrans103-4.5176.900000116.3F419 S423F419-G421 PolarHBondContact O-N 3.47Å; G421-S423 PolarHBondContact O-N 3.48Å
422S47.9Very low60.3Low51 Ų5174.3 Ų74.336%0.35745%0.45SS..  trans-83104165.1-60.80000107.8G424 T425S422-G424 PolarHBondContact O-N 2.87Å; S422-T425 WeakPolarHBondContact CB-OG1 3.35Å; S422-T425 PolarHBondContact O-N 3.39Å; S422-T425 PolarHBondContact O-OG1 3.46Å
423S36.1Very low57.6Low128 Ų12877 Ų7790%0.89547%0.469SS*.THydrogen-bonded Turntrans-58.75.3-173.5-43.60000116.1G421G421-S423 PolarHBondContact O-N 3.48Å
424G42Very low54.6Low34 Ų3482.3 Ų82.335%0.35149%0.492SS..THydrogen-bonded Turntrans-117.5-2.7172.600000115.2S422 L428S422-G424 PolarHBondContact O-N 2.87Å; G424-L428 VanDerWaalsContact O-CG 3.3Å; G424-L428 WeakPolarHBondContact O-CG 3.13Å; G424-L428 PolarHBondContact O-N 2.94Å
425T40.1Very low51.8Low18 Ų1880 Ų8011%0.1148%0.478CS..Hα-helixtrans-90.9-29.3-177.642.20000114.4F419 S422 L428 L429F419-T425 HydrophobicContact CD1-CG2 4.29Å; F419-T425 PolarHBondContact O-OG1 3.38Å; S422-T425 WeakPolarHBondContact CB-OG1 3.35Å; S422-T425 PolarHBondContact O-N 3.39Å; S422-T425 PolarHBondContact O-OG1 3.46Å; T425-L428 HydrophobicContact CG2-CD1 4.35Å; T425-L428 PolarHBondContact O-N 2.99Å; T425-L428 VanDerWaalsContact O-N 3.14Å; T425-L429 WeakPolarHBondContact O-CB 3.4Å; T425-L429 PolarHBondContact O-N 2.94Å
426D36.9Very low49.3Very low133 Ų13384 Ų8471%0.71150%0.501SS*.Hα-helixtrans-66.1-34.1166.5-87.5-14.4000110.3D430D426-D430 WeakPolarHBondContact O-CB 3.18Å; D426-D430 PolarHBondContact O-N 3.37Å
427E38.2Very low46.8Very low135 Ų13583.2 Ų83.263%0.63151%0.505SS*.Hα-helixtrans-60.4-59.2162.3-77.7-172.9169.200109.4L429 D430 T431E427-L429 VanDerWaalsContact C-N 3.28Å; E427-L429 PolarHBondContact O-N 2.87Å; E427-D430 CarbonylContact O-C 3.31Å; E427-D430 PolarHBondContact O-N 3.2Å; E427-D430 VanDerWaalsContact O-N 3.09Å; E427-T431 VanDerWaalsContact C-CB 3.5Å; E427-T431 WeakPolarHBondContact CA-OG1 3.31Å; E427-T431 WeakPolarHBondContact O-CA 3.36Å; E427-T431 WeakPolarHBondContact O-CB 3.23Å; E427-T431 PolarHBondContact O-N 3.18Å; E427-T431 PolarHBondContact O-OG1 3.04Å
428L45.4Very low44Very low106 Ų10689.1 Ų89.156%0.55554%0.535SS*.Hα-helixtrans-57-31.2-177.3-70.6162.1000116G424 T425 A432G424-L428 VanDerWaalsContact O-CG 3.3Å; G424-L428 WeakPolarHBondContact O-CG 3.13Å; G424-L428 PolarHBondContact O-N 2.94Å; T425-L428 HydrophobicContact CG2-CD1 4.35Å; T425-L428 PolarHBondContact O-N 2.99Å; T425-L428 VanDerWaalsContact O-N 3.14Å; L428-A432 WeakPolarHBondContact O-CB 3.45Å; L428-A432 PolarHBondContact O-N 2.9Å
429L43.3Very low41.5Very low73 Ų7395.7 Ų95.738%0.38256%0.556SS.*Hα-helixtrans-75-36.2176.1-89142.5000113.1Y189 T425 E427Y189-L429 HydrophobicContact CE1-CD2 3.92Å; T425-L429 WeakPolarHBondContact O-CB 3.4Å; T425-L429 PolarHBondContact O-N 2.94Å; E427-L429 VanDerWaalsContact C-N 3.28Å; E427-L429 PolarHBondContact O-N 2.87Å
430D36Very low38.8Very low118 Ų11898.7 Ų98.763%0.63159%0.59SS**Hα-helixtrans-91.5-24.2173.9-103.6-3.3000113.6D426 E427 V433 M434D426-D430 WeakPolarHBondContact O-CB 3.18Å; D426-D430 PolarHBondContact O-N 3.37Å; E427-D430 CarbonylContact O-C 3.31Å; E427-D430 PolarHBondContact O-N 3.2Å; E427-D430 VanDerWaalsContact O-N 3.09Å; D430-V433 CarbonylContact O-C 3.56Å; D430-V433 WeakPolarHBondContact O-CA 3.2Å; D430-V433 WeakPolarHBondContact O-CB 3.43Å; D430-V433 PolarHBondContact O-N 3.14Å; D430-M434 PolarHBondContact O-N 2.93Å
431T37.4Very low37.1Very low47 Ų4795.5 Ų95.529%0.28859%0.591SS.*Hα-helixtrans-80.3-23.6-178.5-600000109.8E427 V433 M434 S435E427-T431 VanDerWaalsContact C-CB 3.5Å; E427-T431 WeakPolarHBondContact CA-OG1 3.31Å; E427-T431 WeakPolarHBondContact O-CA 3.36Å; E427-T431 WeakPolarHBondContact O-CB 3.23Å; E427-T431 PolarHBondContact O-N 3.18Å; E427-T431 PolarHBondContact O-OG1 3.04Å; T431-V433 PolarHBondContact O-N 3.03Å; T431-M434 PolarHBondContact O-N 3.15Å; T431-S435 WeakPolarHBondContact O-CA 3.33Å; T431-S435 WeakPolarHBondContact O-CB 3.38Å; T431-S435 PolarHBondContact O-N 3.25Å; T431-S435 PolarHBondContact O-OG 3.23Å
432A33.8Very low36Very low67 Ų67100.3 Ų100.355%0.55460%0.599SS**Hα-helixtrans-59.2-23.9160.900000112.5L428L428-A432 WeakPolarHBondContact O-CB 3.45Å; L428-A432 PolarHBondContact O-N 2.9Å
433V34.6Very low35.1Very low115 Ų115104 Ų10470%0.69762%0.619SS**Hα-helixtrans-98.9-21.9176.5-169.10000112D430 T431D430-V433 CarbonylContact O-C 3.56Å; D430-V433 WeakPolarHBondContact O-CA 3.2Å; D430-V433 WeakPolarHBondContact O-CB 3.43Å; D430-V433 PolarHBondContact O-N 3.14Å; T431-V433 PolarHBondContact O-N 3.03Å
434M30.4Very low34.8Very low149 Ų149100.9 Ų100.973%0.73461%0.607SS**Hα-helixtrans-114.8-13.6-173.6-70.8-72.3-156.600117D430 T431 L436D430-M434 PolarHBondContact O-N 2.93Å; T431-M434 PolarHBondContact O-N 3.15Å; M434-L436 VanDerWaalsContact C-N 3.33Å; M434-L436 PolarHBondContact O-N 3.33Å
435S32.7Very low34Very low57 Ų57106.9 Ų106.940%0.39964%0.636SS.*G310 helixtrans-79.2-1.2-16780.70000117.2T431 S437T431-S435 WeakPolarHBondContact O-CA 3.33Å; T431-S435 WeakPolarHBondContact O-CB 3.38Å; T431-S435 PolarHBondContact O-N 3.25Å; T431-S435 PolarHBondContact O-OG 3.23Å; S435-S437 PolarHBondContact O-N 3.46Å; S435-S437 VanDerWaalsContact O-N 3.08Å
436L36.5Very low33.6Very low129 Ų129109.8 Ų109.868%0.67566%0.662SS**G310 helixtrans-68.2-4.5176.8-82142.7000114.1Y44 M434Y44-L436 HydrophobicContact CE1-CD2 4.42Å; M434-L436 VanDerWaalsContact C-N 3.33Å; M434-L436 PolarHBondContact O-N 3.33Å
437S33.3Very low33.4Very low106 Ų106109.9 Ų109.974%0.74167%0.67SS**G310 helixtrans-107.4-9.4-172.4-85.40000117S435S435-S437 PolarHBondContact O-N 3.46Å; S435-S437 VanDerWaalsContact O-N 3.08Å
438N31.9Very low33.1Very low154 Ų154106.9 Ų106.982%0.82468%0.675SS**  trans-135.323.8-164.1-100.60.4000118.5
439R32Very low32.6Very low168 Ų168104.4 Ų104.463%0.63466%0.66SS**  trans-108.181171.4-72-178.6171.8-162-1.8112D133D133-R439 IonicContact OD1-CZ 3.06Å; D133-R439 VanDerWaalsContact OD1-CZ 3.23Å; D133-R439 IonicContact OD1-NH1 3.43Å; D133-R439 PolarHBondContact OD1-NH1 3.09Å; D133-R439 IonicContact OD1-NH2 2.74Å; D133-R439 PolarHBondContact OD1-NH2 2.86Å; D133-R439 IonicContact OD2-CZ 2.67Å; D133-R439 IonicContact OD2-NH1 2.92Å; D133-R439 PolarHBondContact OD2-NH1 3.29Å
440G27.4Very low32.3Very low76 Ų76103.7 Ų103.778%0.78467%0.67SS**  trans-123.7121.1168.700000110.7
441G28.6Very low32.5Very low69 Ų69105 Ų10571%0.71168%0.677SS**  trans110.7139.4160.900000115.4
442L30.5Very low32.5Very low174 Ų174104.3 Ų104.391%0.91168%0.679SS**  trans84.9126-176.4-47.2171000111
443V29.8Very low32.6Very low129 Ų129103.9 Ų103.978%0.78268%0.676SS**  -155.8147.551.8171.50000111
444G29.8Very low32.8Very low62 Ų62103 Ų10364%0.63967%0.674SS**  trans-73.5175.4175.200000114.8A446G444-A446 PolarHBondContact O-N 2.81Å
445V26.3Very low33.2Very low160 Ų160102.5 Ų102.597%0.9767%0.673SS**  trans-65.5114.4-173.2-174.30000111.1
446A30.4Very low33.5Very low78 Ų78103.1 Ų103.165%0.64567%0.667SS**  trans-126.9136.7165.400000109.6G444G444-A446 PolarHBondContact O-N 2.81Å
447P32.8Very low33.8Very low136 Ų136105.2 Ų105.288%0.88367%0.666SS**  trans-82.3135.3-172.131.7-31.7000111.9
448G33.1Very low34.2Very low71 Ų71101 Ų10173%0.73264%0.637SS**  trans124.973.815300000117.6
449F33.5Very low34.6Very low55 Ų5597.9 Ų97.924%0.24163%0.625CS.*  trans-102.2102.7147.9-144.5-100.4000106.9K121 P125 A453K121-F449 HydrophobicContact CD-CB 3.86Å; K121-F449 HydrophobicContact CD-CG 4.47Å; K121-F449 VanDerWaalsContact CE-CB 3.46Å; K121-F449 HydrophobicContact CG-CB 4.09Å; K121-F449 HydrophobicContact CG-CG 4.49Å; K121-F449 PolarHBondContact NZ-O 3.16Å; P125-F449 WeakPolarHBondContact O-CD2 3.39Å; F449-A453 HydrophobicContact CD1-CB 4.41Å; F449-A453 HydrophobicContact CE1-CB 4.37Å
450G38.2Very low35.3Very low58 Ų5892.9 Ų92.960%0.59861%0.609SS**  trans-56.6152.8-170.900000114.4G452G450-G452 PolarHBondContact O-N 2.96Å
451D39.7Very low35.9Very low146 Ų14690.2 Ų90.278%0.78158%0.579SS**THydrogen-bonded Turntrans-53.66.4-175.2-100.3-27.3000117.4S454D451-S454 PolarHBondContact O-OG 2.82Å
452G37.4Very low36.4Very low32 Ų3289.1 Ų89.133%0.3356%0.557SS.*THydrogen-bonded Turntrans-82.2-23.1-179.500000115.1G450 S454 I455G450-G452 PolarHBondContact O-N 2.96Å; G452-S454 PolarHBondContact O-N 3.48Å; G452-I455 PolarHBondContact O-N 2.95Å
453A36.2Very low36.9Very low58 Ų5886.9 Ų86.948%0.47954%0.537SS..THydrogen-bonded Turntrans-75-11.2-177.100000113.7F449F449-A453 HydrophobicContact CD1-CB 4.41Å; F449-A453 HydrophobicContact CE1-CB 4.37Å
454S38Very low37.5Very low96 Ų9681.2 Ų81.267%0.67150%0.502SS*.THydrogen-bonded Turntrans-88.4-10.2176.564.60000113.5D451 G452D451-S454 PolarHBondContact O-OG 2.82Å; G452-S454 PolarHBondContact O-N 3.48Å
455I40Very low38.3Very low139 Ų13978.3 Ų78.371%0.71347%0.472SS*.SBendtrans-95.4-17.6-167.4-58.8176.8000112.7G452G452-I455 PolarHBondContact O-N 2.95Å
456Y38.7Very low38.9Very low69 Ų6970.9 Ų70.927%0.27143%0.428SS..  trans-113.8108.9175.5-172.1-103.1000111.9Y246 P247 P458Y246-Y456 AromaticContact CD1-CD1 3.79Å; Y246-Y456 HydrophobicContact CD1-CD1 3.79Å; Y246-Y456 AromaticContact CD1-CE1 3.68Å; Y246-Y456 HydrophobicContact CD1-CE1 3.68Å; Y246-Y456 HydrophobicContact CD1-CG 4.38Å; Y246-Y456 AromaticContact CE1-CD1 3.55Å; Y246-Y456 HydrophobicContact CE1-CD1 3.55Å; Y246-Y456 AromaticContact CE1-CE1 3.23Å; Y246-Y456 HydrophobicContact CE1-CE1 3.23Å; P247-Y456 WeakPolarHBondContact CD-OH 3.4Å; P247-Y456 HydrophobicContact CG-CE2 4.18Å; P247-Y456 WeakPolarHBondContact CG-OH 3.13Å; Y456-P458 HydrophobicContact CD1-CG 4.08Å; Y456-P458 HydrophobicContact CE1-CB 3.86Å; Y456-P458 HydrophobicContact CE1-CG 3.58Å; Y456-P458 WeakPolarHBondContact O-CD 3.37Å
457R42.1Very low39.5Very low174 Ų17468 Ų6866%0.65740%0.401SS*.  trans-10899.6172.2179.2-176.9-91.7159.2-5.9108.4D462R457-D462 IonicContact NE-OD1 2.61Å
458P42.2Very low40.2Very low18 Ų1862 Ų6212%0.11736%0.363CS..  trans-60.5135170.31.81.6000109.3Y456 E460 A461Y456-P458 HydrophobicContact CD1-CG 4.08Å; Y456-P458 HydrophobicContact CE1-CB 3.86Å; Y456-P458 HydrophobicContact CE1-CG 3.58Å; Y456-P458 WeakPolarHBondContact O-CD 3.37Å; P458-E460 WeakPolarHBondContact CB-OE2 3.24Å; P458-E460 PolarHBondContact O-N 3.45Å; P458-A461 HydrophobicContact CG-CB 4.47Å; P458-A461 PolarHBondContact O-N 3.28Å
459P40Very low40.8Very low88 Ų8859 Ų5957%0.57133%0.33SS*.THydrogen-bonded Turntrans-53.4-20.3179-26.133.9000114.1Y463P459-Y463 VanDerWaalsContact O-CD2 3.27Å; P459-Y463 WeakPolarHBondContact O-CD2 3.46Å
460E47.1Very low41.4Very low63 Ų6359.8 Ų59.829%0.29434%0.337SS..THydrogen-bonded Turntrans-84.1-22.4-178.8-50.685.7176.800114.2I160 R163 P458 D462 Y463I160-E460 HydrophobicContact CD1-CB 4.22Å; I160-E460 HydrophobicContact CG1-CB 4.26Å; R163-E460 IonicContact CZ-OE1 3.88Å; R163-E460 IonicContact CZ-OE2 3.35Å; R163-E460 IonicContact NH1-OE1 3.87Å; R163-E460 PolarHBondContact NH1-OE1 3.12Å; R163-E460 IonicContact NH1-OE2 3.73Å; R163-E460 PolarHBondContact NH1-OE2 3.35Å; R163-E460 IonicContact NH2-OE2 3.15Å; R163-E460 PolarHBondContact NH2-OE2 3.37Å; P458-E460 WeakPolarHBondContact CB-OE2 3.24Å; P458-E460 PolarHBondContact O-N 3.45Å; E460-D462 PolarHBondContact O-N 3.19Å; E460-Y463 WeakPolarHBondContact O-CB 3.44Å; E460-Y463 PolarHBondContact O-N 2.88Å
461A40Very low41.7Very low19 Ų1957.3 Ų57.316%0.15731%0.31CS..Hα-helixtrans-62.6-30.117700000111.6P458 Y463P458-A461 HydrophobicContact CG-CB 4.47Å; P458-A461 PolarHBondContact O-N 3.28Å; A461-Y463 PolarHBondContact O-N 3.18Å
462D38.8Very low42.2Very low46 Ų4652.4 Ų52.425%0.24628%0.283CS..Hα-helixtrans-66.4-17.7173-101.329.5000113.6R113 R457 E460R113-D462 WeakPolarHBondContact CD-O 3.36Å; R113-D462 IonicContact CZ-OD2 3.4Å; R113-D462 PolarHBondContact NE-O 2.98Å; R113-D462 VanDerWaalsContact NH1-CB 3.33Å; R113-D462 IonicContact NH1-OD2 3.96Å; R113-D462 PolarHBondContact NH1-OD2 2.91Å; R457-D462 IonicContact NE-OD1 2.61Å; E460-D462 PolarHBondContact O-N 3.19Å
463Y40.7Very low42.8Very low127 Ų12755 Ų5550%0.49829%0.288SS..Hα-helixtrans-89.2-38.8-178.2-78.8-99.5000112.9P459 E460 A461 A465 G466 L467P459-Y463 VanDerWaalsContact O-CD2 3.27Å; P459-Y463 WeakPolarHBondContact O-CD2 3.46Å; E460-Y463 WeakPolarHBondContact O-CB 3.44Å; E460-Y463 PolarHBondContact O-N 2.88Å; A461-Y463 PolarHBondContact O-N 3.18Å; Y463-A465 PolarHBondContact O-N 3.03Å; Y463-G466 PolarHBondContact O-N 3.41Å; Y463-L467 HydrophobicContact CD1-CD1 4.4Å; Y463-L467 WeakPolarHBondContact O-CD1 3.16Å; Y463-L467 WeakPolarHBondContact O-CG 3.39Å; Y463-L467 PolarHBondContact O-N 3.04Å
464L43.6Very low43.3Very low11 Ų1160.2 Ų60.26%0.05830%0.296CS..Hα-helixtrans-56.7-52.7-167.2-76.2165.8000114.5L157 I160 E225 T229 G466 L467L157-L464 HydrophobicContact CD2-CD2 3.25Å; L157-L464 HydrophobicContact CG-CD2 4.17Å; I160-L464 HydrophobicContact CD1-CD1 4.06Å; I160-L464 HydrophobicContact CD1-CD2 3.52Å; I160-L464 HydrophobicContact CD1-CG 3.65Å; E225-L464 HydrophobicContact CG-CB 4.2Å; T229-L464 HydrophobicContact CG2-CD1 4.38Å; L464-G466 PolarHBondContact O-N 3.02Å; L464-G466 VanDerWaalsContact O-N 3.16Å; L464-L467 PolarHBondContact O-N 3.38Å
465A45Very low43.6Very low1 Ų156.3 Ų56.31%0.00827%0.27CS..Hα-helixtrans-60-31.5-177.800000114.2Y114 E225 Y463Y114-A465 HydrophobicContact CD1-CB 3.44Å; Y114-A465 VanDerWaalsContact CD1-CB 3.44Å; Y114-A465 HydrophobicContact CD2-CB 3.93Å; Y114-A465 HydrophobicContact CE1-CB 3.4Å; Y114-A465 VanDerWaalsContact CE1-CB 3.4Å; Y114-A465 HydrophobicContact CE2-CB 3.9Å; Y114-A465 HydrophobicContact CG-CB 3.71Å; Y114-A465 WeakPolarHBondContact O-CB 3.43Å; E225-A465 WeakPolarHBondContact OE1-CA 3.24Å; E225-A465 PolarHBondContact OE1-N 3.45Å; Y463-A465 PolarHBondContact O-N 3.03Å
466G40.2Very low44Very low3 Ų352.3 Ų52.33%0.03126%0.258CS..Hα-helixtrans-78.1-32.7178.800000112.8K111 Y463 L464K111-G466 WeakPolarHBondContact CE-O 3.34Å; K111-G466 PolarHBondContact NZ-O 2.08Å; Y463-G466 PolarHBondContact O-N 3.41Å; L464-G466 PolarHBondContact O-N 3.02Å; L464-G466 VanDerWaalsContact O-N 3.16Å
467L43.3Very low44.2Very low18 Ų1857.8 Ų57.89%0.09428%0.278CS..Hα-helixtrans-80.9-36.3-162.5-74.4174.8000113.2H154 S156 Y463 L464 S469 L470 A471H154-L467 HydrophobicContact CB-CB 3.59Å; H154-L467 HydrophobicContact CB-CD1 4.28Å; H154-L467 HydrophobicContact CB-CD2 4.35Å; H154-L467 HydrophobicContact CB-CG 4.26Å; H154-L467 WeakPolarHBondContact CD2-CD2 3.45Å; H154-L467 WeakPolarHBondContact CE1-CD2 3.17Å; H154-L467 VanDerWaalsContact CG-CD2 3.49Å; H154-L467 VanDerWaalsContact ND1-CD1 3.26Å; H154-L467 WeakPolarHBondContact ND1-CD1 3.5Å; H154-L467 WeakPolarHBondContact ND1-CD2 3.27Å; H154-L467 VanDerWaalsContact NE2-CD2 3.3Å; H154-L467 WeakPolarHBondContact NE2-CD2 3.45Å; S156-L467 WeakPolarHBondContact OG-CD1 3.42Å; Y463-L467 HydrophobicContact CD1-CD1 4.4Å; Y463-L467 WeakPolarHBondContact O-CD1 3.16Å; Y463-L467 WeakPolarHBondContact O-CG 3.39Å; Y463-L467 PolarHBondContact O-N 3.04Å; L464-L467 PolarHBondContact O-N 3.38Å; L467-S469 VanDerWaalsContact C-N 3.29Å; L467-S469 PolarHBondContact O-N 3.14Å; L467-L470 WeakPolarHBondContact O-CB 3.35Å; L467-L470 PolarHBondContact O-N 3.1Å; L467-L470 VanDerWaalsContact O-N 3.15Å; L467-A471 PolarHBondContact O-N 3.39Å
468V46.1Very low44.3Very low11 Ų1154 Ų547%0.06727%0.274CS..Hα-helixtrans-63.9-35.4176.5-174.80000111.3R36 L157 L470 A471 E472R36-V468 VanDerWaalsContact NH1-CB 3.32Å; R36-V468 VanDerWaalsContact NH2-CG2 3.32Å; L157-V468 HydrophobicContact CD1-CG2 4.44Å; V468-L470 PolarHBondContact O-N 3.45Å; V468-A471 WeakPolarHBondContact O-CB 2.9Å; V468-A471 PolarHBondContact O-N 3.46Å; V468-A471 VanDerWaalsContact O-N 3.1Å; V468-E472 WeakPolarHBondContact O-CG 3.48Å; V468-E472 PolarHBondContact O-N 3.33Å
469S46Very low44.3Very low7 Ų756.5 Ų56.55%0.04928%0.284CS..Hα-helixtrans-70.1-20.7178-155.70000114H89 L467 E472 I473H89-S469 PolarHBondContact CE1-OG 3.19Å; L467-S469 VanDerWaalsContact C-N 3.29Å; L467-S469 PolarHBondContact O-N 3.14Å; S469-E472 VanDerWaalsContact CA-OE2 3.3Å; S469-E472 WeakPolarHBondContact CA-OE2 3.46Å; S469-E472 WeakPolarHBondContact CB-OE2 3.26Å; S469-E472 PolarHBondContact OG-OE2 3.42Å; S469-I473 WeakPolarHBondContact O-CG1 3.37Å; S469-I473 PolarHBondContact O-N 3.27Å
470L45.3Very low44.6Very low72 Ų7255.6 Ų55.638%0.37728%0.284SS..Hα-helixtrans-76.2-33172.3-126143000111.8L467 V468 R474L467-L470 WeakPolarHBondContact O-CB 3.35Å; L467-L470 PolarHBondContact O-N 3.1Å; L467-L470 VanDerWaalsContact O-N 3.15Å; V468-L470 PolarHBondContact O-N 3.45Å; L470-R474 PolarHBondContact O-N 3.05Å
471A45.7Very low44.2Very low6 Ų659 Ų595%0.0530%0.3CS..Hα-helixtrans-72.3-36.9172.600000111.6Q152 L467 V468 I473 R474 G475Q152-A471 VanDerWaalsContact O-CB 3.29Å; Q152-A471 WeakPolarHBondContact O-CB 3.34Å; L467-A471 PolarHBondContact O-N 3.39Å; V468-A471 WeakPolarHBondContact O-CB 2.9Å; V468-A471 PolarHBondContact O-N 3.46Å; V468-A471 VanDerWaalsContact O-N 3.1Å; A471-I473 VanDerWaalsContact C-N 3.28Å; A471-I473 PolarHBondContact O-N 2.93Å; A471-R474 PolarHBondContact O-N 3.31Å; A471-R474 VanDerWaalsContact O-N 3.16Å; A471-G475 PolarHBondContact O-N 3.49Å
472E49.2Very low44.1Very low43 Ų4361.6 Ų61.620%0.20132%0.317CS..Hα-helixtrans-54.9-41172.6-72.6165.2-175.100112.1R36 V468 S469 A476R36-E472 IonicContact CZ-OE1 2.78Å; R36-E472 IonicContact NH1-OE1 3.08Å; R36-E472 PolarHBondContact NH1-OE1 3.2Å; V468-E472 WeakPolarHBondContact O-CG 3.48Å; V468-E472 PolarHBondContact O-N 3.33Å; S469-E472 VanDerWaalsContact CA-OE2 3.3Å; S469-E472 WeakPolarHBondContact CA-OE2 3.46Å; S469-E472 WeakPolarHBondContact CB-OE2 3.26Å; S469-E472 PolarHBondContact OG-OE2 3.42Å; E472-A476 WeakPolarHBondContact O-CB 3.27Å; E472-A476 PolarHBondContact O-N 2.85Å
473I50.1Low44Very low87 Ų8765.6 Ų65.645%0.44633%0.334SS..Hα-helixtrans-70.9-38.9179-64.5165.1000112.2H89 S469 A471 R477H89-I473 WeakPolarHBondContact CD2-CD1 3.26Å; S469-I473 WeakPolarHBondContact O-CG1 3.37Å; S469-I473 PolarHBondContact O-N 3.27Å; A471-I473 VanDerWaalsContact C-N 3.28Å; A471-I473 PolarHBondContact O-N 2.93Å; I473-R477 PolarHBondContact O-N 3.26Å
474R46.6Very low43.7Very low167 Ų16762.7 Ų62.763%0.6334%0.343SS*.Hα-helixtrans-69.9-44.8177.6-75-178.9173.1165.8-2.7110.6L470 A471 R477 V478L470-R474 PolarHBondContact O-N 3.05Å; A471-R474 PolarHBondContact O-N 3.31Å; A471-R474 VanDerWaalsContact O-N 3.16Å; R474-R477 PolarHBondContact O-N 2.87Å; R474-V478 WeakPolarHBondContact O-CG2 3.47Å; R474-V478 PolarHBondContact O-N 3.09Å
475G44.3Very low43.1Very low14 Ų1467.9 Ų67.914%0.14438%0.375CS..Hα-helixtrans-65.9-41.8177.600000113.3A471 R477 V478 Q479A471-G475 PolarHBondContact O-N 3.49Å; G475-R477 PolarHBondContact O-N 3.4Å; G475-V478 PolarHBondContact O-N 3.45Å; G475-V478 VanDerWaalsContact O-N 3.09Å; G475-Q479 PolarHBondContact O-N 3.05Å
476A49.4Very low42.3Very low54 Ų5474.2 Ų74.245%0.44641%0.408SS..Hα-helixtrans-64-30.2175.600000112.5E472 A480E472-A476 WeakPolarHBondContact O-CB 3.27Å; E472-A476 PolarHBondContact O-N 2.85Å; A476-A480 WeakPolarHBondContact O-CB 3.36Å; A476-A480 PolarHBondContact O-N 3.42Å
477R42Very low41.7Very low184 Ų18483.4 Ų83.469%0.69445%0.45SS*.Hα-helixtrans-70.9-33.6173.3-170.2176.2-176.8173.10.7112.3I473 R474 G475 Q481I473-R477 PolarHBondContact O-N 3.26Å; R474-R477 PolarHBondContact O-N 2.87Å; G475-R477 PolarHBondContact O-N 3.4Å; R477-Q481 VanDerWaalsContact O-CG 3.28Å; R477-Q481 WeakPolarHBondContact O-CG 3.5Å; R477-Q481 PolarHBondContact O-N 3.23Å
478V44.5Very low40.7Very low95 Ų9588.1 Ų88.158%0.57648%0.484SS*.Hα-helixtrans-74.3-44.3176.3176.20000110.6R474 G475 Q481 S482R474-V478 WeakPolarHBondContact O-CG2 3.47Å; R474-V478 PolarHBondContact O-N 3.09Å; G475-V478 PolarHBondContact O-N 3.45Å; G475-V478 VanDerWaalsContact O-N 3.09Å; V478-Q481 WeakPolarHBondContact O-CB 3.47Å; V478-Q481 PolarHBondContact O-N 3.49Å; V478-Q481 VanDerWaalsContact O-N 3.14Å; V478-S482 PolarHBondContact O-N 3.06Å; V478-S482 VanDerWaalsContact O-N 3.14Å
479Q42.5Very low40Very low70 Ų7096.3 Ų96.333%0.32752%0.522SS..Hα-helixtrans-64.7-40.5175.3-88.4-174.4-41.300113.1G475 Q481 S482 E483G475-Q479 PolarHBondContact O-N 3.05Å; Q479-Q481 PolarHBondContact O-N 3.33Å; Q479-S482 WeakPolarHBondContact CA-OG 3.43Å; Q479-S482 PolarHBondContact O-N 3.3Å; Q479-S482 VanDerWaalsContact O-N 3.11Å; Q479-S482 PolarHBondContact O-OG 3.31Å; Q479-E483 WeakPolarHBondContact O-CB 3.44Å; Q479-E483 PolarHBondContact O-N 2.96Å
480A45.3Very low39.1Very low69 Ų69101 Ų10157%0.5755%0.554SS**Hα-helixtrans-65.4-18.7174.900000113.3A476A476-A480 WeakPolarHBondContact O-CB 3.36Å; A476-A480 PolarHBondContact O-N 3.42Å
481Q40.4Very low38.4Very low134 Ų134106.8 Ų106.863%0.62658%0.579SS**Hα-helixtrans-87.4-27173.6-75.5178.6-3100112.6R477 V478 Q479R477-Q481 VanDerWaalsContact O-CG 3.28Å; R477-Q481 WeakPolarHBondContact O-CG 3.5Å; R477-Q481 PolarHBondContact O-N 3.23Å; V478-Q481 WeakPolarHBondContact O-CB 3.47Å; V478-Q481 PolarHBondContact O-N 3.49Å; V478-Q481 VanDerWaalsContact O-N 3.14Å; Q479-Q481 PolarHBondContact O-N 3.33Å
482S36.4Very low37.6Very low74 Ų74112.4 Ų112.452%0.51761%0.613SS.*Hα-helixtrans-86.9-31.9176.659.10000113.5V478 Q479V478-S482 PolarHBondContact O-N 3.06Å; V478-S482 VanDerWaalsContact O-N 3.14Å; Q479-S482 WeakPolarHBondContact CA-OG 3.43Å; Q479-S482 PolarHBondContact O-N 3.3Å; Q479-S482 VanDerWaalsContact O-N 3.11Å; Q479-S482 PolarHBondContact O-OG 3.31Å
483E38.3Very low36.7Very low130 Ų130118.2 Ų118.261%0.60765%0.645SS**G310 helixtrans-83.4-10.3178.9-69172.7-179.200112.8Q479 T485Q479-E483 WeakPolarHBondContact O-CB 3.44Å; Q479-E483 PolarHBondContact O-N 2.96Å; E483-T485 PolarHBondContact O-N 3.44Å
484G33.4Very low35.6Very low66 Ų66120.7 Ų120.768%0.6866%0.66SS**G310 helixtrans-75.92.9-178.900000116.3
485T30.9Very low35Very low121 Ų121120.7 Ų120.774%0.74267%0.672SS**G310 helixtrans-121.6-5-172.8-460000113.1E483E483-T485 PolarHBondContact O-N 3.44Å
486I28.2Very low34.4Very low133 Ų133127 Ų12768%0.68270%0.702SS**SBendtrans-14094.6-175.9-52.5173.8000107.6
487E27.7Very low33.8Very low196 Ų196133.1 Ų133.192%0.91673%0.726SS**  trans150.870.2158.7-84.6175.1-166.500110
488S23.3Very low33.1Very low117 Ų117131.2 Ų131.282%0.81873%0.73SS**  trans-112.883.2158.146.90000107.5
489Q30Very low32.5Very low184 Ų184133.8 Ų133.886%0.8674%0.74SS**  trans-166.4114158.9-105.1161.233.100110.4
490S26.8Very low32Very low104 Ų104134 Ų13473%0.72775%0.749SS**  trans50.4109.5151.858.90000119.5
491E31.9Very low31.2Very low194 Ų194135.8 Ų135.891%0.90776%0.758SS**  -168.2113115.5-100.5168.6-158.200109.1
492V27.8Very low30.8Very low124 Ų124136.2 Ų136.275%0.75277%0.77SS**  trans-84.5115.1174.8175.80000106.5
493D31.6Very low30.3Very low165 Ų165142.6 Ų142.688%0.88279%0.788SS**  trans-136.7108.7157.1-97.4-22.4000108.5
494N26.5Very low30Very low140 Ų140146 Ų14675%0.74980%0.801SS**  trans-68.6125.8171.1-78.9-49.2000109
495D34.5Very low29.8Very low167 Ų167151.4 Ų151.489%0.89381%0.808SS**  trans-137.2115.4150.5-102.9-25.7000110.2
496L31Very low29.9Very low147 Ų147153.3 Ų153.377%0.7781%0.814SS**  trans-55.3136176.8-74.3124.8000112.8
497L35.7Very low29.9Very low182 Ų182154.4 Ų154.495%0.95382%0.822SS**  trans-142.396.4139-75.5-178.5000108.2
498D27.8Very low30.2Very low143 Ų143152.8 Ų152.877%0.76582%0.818SS**  trans-80128.5163.2-173.518.4000108
499D31.9Very low30.5Very low149 Ų149156.5 Ų156.580%0.79782%0.82SS**  trans-142.787.7158.4-151.40.8000111
500S32Very low30.6Very low75 Ų75154.1 Ų154.152%0.52482%0.818SS.*  trans9.9115.6141.971.70000120.1
501S28.1Very low30.6Very low106 Ų106156.6 Ų156.674%0.74182%0.823SS**  trans21.4117.3132.858.40000120.4
502T32Very low30.7Very low144 Ų144153.5 Ų153.588%0.88382%0.817SS**  trans-138.8104.1136.727.50000110.7
503K27.8Very low30.9Very low207 Ų207155.9 Ų155.990%0.982%0.82SS**  trans-73.1124.7158.7-75.3174176.6172.60108.1
504K31.8Very low31Very low202 Ų202154.6 Ų154.688%0.87882%0.818SS**  trans-134.6102.3151.4-83.7-171.8176.8178.40108.9
505Q29.3Very low31.2Very low179 Ų179157.1 Ų157.184%0.83682%0.822SS**  trans-66.6139.9149.2-81.3169.9-35.200107.6
506N31.6Very low31.3Very low162 Ų162158.8 Ų158.887%0.86683%0.825SS**  trans-163.9114135.8-94.4-9.8000108.3
507D28.5Very low31.4Very low156 Ų156161.8 Ų161.883%0.83483%0.826SS**  trans-56.5141.4160.8-73.1-56.3000110.2
508L34.5Very low31.3Very low161 Ų161159.7 Ų159.784%0.84383%0.825SS**  trans-158.9108.5148.6-99.8139.9000109.2
509K29.6Very low31.6Very low196 Ų196160.2 Ų160.285%0.85282%0.821SS**  trans-69.6133.5157.7-66.1169.3176.6172.30107.6
510T31.6Very low31.6Very low134 Ų134159.5 Ų159.582%0.82282%0.816SS**  trans-171.6128.5138.223.60000111
511N26.3Very low31.8Very low156 Ų156165.9 Ų165.983%0.83483%0.834SS**  trans-53.4137.5164.2-92.6-32.4000111.6
512V34.6Very low32Very low129 Ų129170 Ų17078%0.78284%0.839SS**  trans-139.5119.4144.9-179.30000108.6
513Q31.3Very low32.3Very low174 Ų174169.6 Ų169.681%0.81384%0.836SS**  trans-75.6131.4165.4-62.5171.94.800108.5
514T34.5Very low32.9Very low137 Ų137165 Ų16584%0.8483%0.83SS**  trans-151.9125148.8-2.10000110.7
515K31.2Very low33.1Very low194 Ų194165.6 Ų165.684%0.84383%0.832SS**  trans-68.4148.8179.1-66158.1173166.70109.9
516E36.5Very low33.4Very low202 Ų202160.5 Ų160.594%0.94483%0.828SS**  trans-153.2123.6135.2-112.2171-152.800111.4
517R32.7Very low33.9Very low209 Ų209162.9 Ų162.979%0.78983%0.831SS**  trans-90.7134.9177.9-91.6171.1146.9179.1-3.2108.1
518C34.2Very low34.4Very low139 Ų139164.5 Ų164.594%0.93983%0.833SS**  trans-124.3128.3149.3-90.30000109.7
519K33.6Very low34.8Very low154 Ų154162.4 Ų162.467%0.6783%0.829SS**  trans-99147-168.7-91.7176171.1-175.40111.5
520L33Very low35.4Very low134 Ų134162.9 Ų162.970%0.70283%0.831SS**  trans69.2123.7139.4-79.7143.6000120.6
521K35.7Very low35.8Very low208 Ų208162.8 Ų162.890%0.90483%0.831SS**  -160.5126.6111.6-100.5170.8-173.6-176.50111.4
522K31Very low37.1Very low192 Ų192161 Ų16184%0.83583%0.826SS**  trans-81.3144.9170.8-77.2174.8171.41760109.5
523V39.3Very low37.6Very low136 Ų136161 Ų16182%0.82483%0.828SS**  trans-136117.2158.3177.10000110.8
524S40.3Very low38.2Very low110 Ų110156.3 Ų156.377%0.76983%0.826SS**  trans33.4132.3154.561.10000124.8
525K35.7Very low39Very low215 Ų215161.3 Ų161.394%0.93583%0.83SS**  trans-54.1152.3163.5-71.7169.7166.9177.80114.7
526G35.4Very low39.8Very low73 Ų73156.7 Ų156.775%0.75383%0.828SS**  trans119.689.1134.800000117.1
527K42.3Very low40.5Very low212 Ų212151.8 Ų151.892%0.92281%0.805SS**  trans-158.7120.2142.8-110.3172.5-174.2-179.50109.3
528E38.3Very low41.9Very low189 Ų189144.9 Ų144.988%0.88379%0.788SS**  trans-63.2137.4-179.8-62.2178.2159.100111.3K530E528-K530 PolarHBondContact O-N 3.04Å
529P43.6Very low43.6Very low117 Ų117147 Ų14776%0.7678%0.782SS**  trans-77.810917230.2-29.6000109.6V531P529-V531 PolarHBondContact O-N 3.24Å
530K41.6Very low45.2Very low206 Ų206143.9 Ų143.990%0.89678%0.775SS**  trans-62.3113161.1-94.4179.6174.7178.10108.6E528 T532E528-K530 PolarHBondContact O-N 3.04Å; K530-T532 PolarHBondContact O-N 3.44Å
531V40.9Very low47Very low133 Ų133140.4 Ų140.481%0.80676%0.76SS**  trans-74.7110.5173.7179.80000108.6P529P529-V531 PolarHBondContact O-N 3.24Å
532T52.5Low48.8Very low119 Ų119136.6 Ų136.673%0.7374%0.743SS**PPolyproline II helixtrans-89.1133.316248.20000109.1K530 G534K530-T532 PolarHBondContact O-N 3.44Å; T532-G534 PolarHBondContact O-N 2.79Å
533P45Very low50.8Low128 Ų128132.5 Ų132.583%0.83173%0.728SS**PPolyproline II helixtrans-58.9126.3-17921.2-30.6000111.3R535P533-R535 PolarHBondContact O-N 3.29Å
534G44.1Very low52.5Low75 Ų75133.5 Ų133.577%0.77372%0.719SS**PPolyproline II helixtrans-66.5126.9-176.800000112.2T532 A536T532-G534 PolarHBondContact O-N 2.79Å; G534-A536 PolarHBondContact O-N 3.2Å
535R51.2Low54.2Low243 Ų243132.4 Ų132.492%0.91770%0.7SS**PPolyproline II helixtrans-53.6123.3166-174.6169.6-178.1168.10.6108.8P533 E537P533-R535 PolarHBondContact O-N 3.29Å; R535-E537 PolarHBondContact O-N 2.81Å
536A48Very low56.3Low97 Ų97128.2 Ų128.280%0.80268%0.683SS**  trans-56.3112.3-177.600000111G534 S538G534-A536 PolarHBondContact O-N 3.2Å; A536-S538 PolarHBondContact O-N 2.86Å
537E52.7Low58.2Low98 Ų98131.2 Ų131.246%0.45868%0.676SS.*  trans-61.4128.2170.1-67.7-168.9156.700108.9R535 K545R535-E537 PolarHBondContact O-N 2.81Å; E537-K545 IonicContact OE1-NZ 3.56Å; E537-K545 PolarHBondContact OE1-NZ 2.89Å; E537-K545 IonicContact OE2-NZ 2.61Å; E537-K545 PolarHBondContact OE2-NZ 3.11Å
538S61.9Low59.9Low64 Ų64128 Ų12845%0.44866%0.664SS.*  trans-57.7142.8179.660.70000110.7A536 T540 V541 K542A536-S538 PolarHBondContact O-N 2.86Å; S538-T540 PolarHBondContact O-N 2.73Å; S538-V541 PolarHBondContact O-N 3.11Å; S538-V541 WeakPolarHBondContact OG-CG2 3.42Å; S538-K542 PolarHBondContact O-N 3.33Å
539K68.8Low61.9Low185 Ų185125.4 Ų125.480%0.80465%0.652SS**Hα-helixtrans-49-33.3178.9-69.2-179.5178178.50112.2K542 M543K539-K542 PolarHBondContact O-N 2.99Å; K539-M543 WeakPolarHBondContact O-CG 3.45Å; K539-M543 PolarHBondContact O-N 2.92Å; K539-M543 VanDerWaalsContact O-N 3.08Å
540T68Low63.7Low87 Ų87122.5 Ų122.553%0.53464%0.638SS.*Hα-helixtrans-60.6-46.1175.7-43.50000112.6S538 M543 Y544S538-T540 PolarHBondContact O-N 2.73Å; T540-M543 PolarHBondContact O-N 2.97Å; T540-Y544 HydrophobicContact CG2-CD2 3.92Å; T540-Y544 HydrophobicContact CG2-CE2 3.65Å; T540-Y544 WeakPolarHBondContact O-CD2 3.43Å; T540-Y544 PolarHBondContact O-N 3.24Å; T540-Y544 VanDerWaalsContact O-N 3.07Å
541V71.3Confident65.5Low62 Ų62116.6 Ų116.638%0.37662%0.616SS.*Hα-helixtrans-67.1-39.4-179.4174.70000111.1S538 Y544 K545S538-V541 PolarHBondContact O-N 3.11Å; S538-V541 WeakPolarHBondContact OG-CG2 3.42Å; V541-Y544 PolarHBondContact O-N 3.19Å; V541-K545 HydrophobicContact CG1-CD 4.46Å; V541-K545 PolarHBondContact O-N 2.87Å
542K72.4Confident67.4Low128 Ų128113 Ų11356%0.55760%0.601SS**Hα-helixtrans-60.4-47.5173.8-72.1-172.9177.7-175.60111.9S538 K539 Y544 K545 E546S538-K542 PolarHBondContact O-N 3.33Å; K539-K542 PolarHBondContact O-N 2.99Å; K542-Y544 VanDerWaalsContact C-N 3.29Å; K542-Y544 PolarHBondContact O-N 3.5Å; K542-K545 PolarHBondContact O-N 3.26Å; K542-E546 WeakPolarHBondContact O-CB 3.38Å; K542-E546 PolarHBondContact O-N 3.3Å
543M73.3Confident68.7Low105 Ų105112.1 Ų112.152%0.51759%0.588SS.*Hα-helixtrans-59.9-36176.8-76.3-69.9-66.400113.2K539 T540 K547K539-M543 WeakPolarHBondContact O-CG 3.45Å; K539-M543 PolarHBondContact O-N 2.92Å; K539-M543 VanDerWaalsContact O-N 3.08Å; T540-M543 PolarHBondContact O-N 2.97Å; M543-K547 WeakPolarHBondContact O-CB 3.33Å; M543-K547 WeakPolarHBondContact O-CG 3.43Å; M543-K547 PolarHBondContact O-N 3.01Å
544Y74.6Confident70.4Confident158 Ų158112.2 Ų112.262%0.6257%0.572SS**Hα-helixtrans-71.9-43.2175.7-83-71.3000112.2T540 V541 K542 K547 E548T540-Y544 HydrophobicContact CG2-CD2 3.92Å; T540-Y544 HydrophobicContact CG2-CE2 3.65Å; T540-Y544 WeakPolarHBondContact O-CD2 3.43Å; T540-Y544 PolarHBondContact O-N 3.24Å; T540-Y544 VanDerWaalsContact O-N 3.07Å; V541-Y544 PolarHBondContact O-N 3.19Å; K542-Y544 VanDerWaalsContact C-N 3.29Å; K542-Y544 PolarHBondContact O-N 3.5Å; Y544-K547 PolarHBondContact O-N 3.37Å; Y544-E548 WeakPolarHBondContact O-CG 3.31Å; Y544-E548 PolarHBondContact O-N 3.14Å
545K77.6Confident72.2Confident87 Ų87113.4 Ų113.438%0.37856%0.556SS.*Hα-helixtrans-60.4-47175.9-75.6-179.7-177172.80111.7E537 V541 K542 K547 E548 E549E537-K545 IonicContact OE1-NZ 3.56Å; E537-K545 PolarHBondContact OE1-NZ 2.89Å; E537-K545 IonicContact OE2-NZ 2.61Å; E537-K545 PolarHBondContact OE2-NZ 3.11Å; V541-K545 HydrophobicContact CG1-CD 4.46Å; V541-K545 PolarHBondContact O-N 2.87Å; K542-K545 PolarHBondContact O-N 3.26Å; K545-K547 VanDerWaalsContact C-N 3.32Å; K545-K547 PolarHBondContact O-N 2.94Å; K545-E548 WeakPolarHBondContact O-CB 3.49Å; K545-E548 PolarHBondContact O-N 3.26Å; K545-E549 WeakPolarHBondContact O-CG 3.36Å; K545-E549 PolarHBondContact O-N 3.14Å
546E78.1Confident73.6Confident126 Ų126106.5 Ų106.559%0.58954%0.537SS*.Hα-helixtrans-62.4-39179.2-166.1174.9-173.100111.9K542 E549 A550K542-E546 WeakPolarHBondContact O-CB 3.38Å; K542-E546 PolarHBondContact O-N 3.3Å; E546-E549 PolarHBondContact O-N 3.41Å; E546-A550 WeakPolarHBondContact O-CB 3.28Å; E546-A550 PolarHBondContact O-N 3.19Å
547K77.1Confident75.2Confident136 Ų136109.4 Ų109.459%0.59153%0.527SS*.Hα-helixtrans-64.9-37.4171.3-82.7179.4179173.60113.1M543 Y544 K545 N551M543-K547 WeakPolarHBondContact O-CB 3.33Å; M543-K547 WeakPolarHBondContact O-CG 3.43Å; M543-K547 PolarHBondContact O-N 3.01Å; Y544-K547 PolarHBondContact O-N 3.37Å; K545-K547 VanDerWaalsContact C-N 3.32Å; K545-K547 PolarHBondContact O-N 2.94Å; K547-N551 VanDerWaalsContact O-CB 3.27Å; K547-N551 WeakPolarHBondContact O-CB 3.34Å; K547-N551 PolarHBondContact O-N 3.4Å; K547-N551 VanDerWaalsContact O-N 3.09Å
548E76.3Confident76.5Confident145 Ų145107.9 Ų107.968%0.67852%0.52SS*.Hα-helixtrans-67.2-43.3176.2-76.5-166.3152.800111.7Y544 K545 N551 A552Y544-E548 WeakPolarHBondContact O-CG 3.31Å; Y544-E548 PolarHBondContact O-N 3.14Å; K545-E548 WeakPolarHBondContact O-CB 3.49Å; K545-E548 PolarHBondContact O-N 3.26Å; E548-N551 PolarHBondContact O-N 3.41Å; E548-A552 WeakPolarHBondContact O-CB 3.36Å; E548-A552 PolarHBondContact O-N 2.99Å
549E80.6Confident77.4Confident134 Ų134110.8 Ų110.863%0.62653%0.53SS*.Hα-helixtrans-61.3-49.3175.8-72.7174.2-17500111.3K545 E546 N551 A552 E553K545-E549 WeakPolarHBondContact O-CG 3.36Å; K545-E549 PolarHBondContact O-N 3.14Å; E546-E549 PolarHBondContact O-N 3.41Å; E549-N551 VanDerWaalsContact C-N 3.29Å; E549-N551 PolarHBondContact O-N 3.02Å; E549-A552 WeakPolarHBondContact O-CB 3.43Å; E549-A552 PolarHBondContact O-N 3.42Å; E549-A552 VanDerWaalsContact O-N 3.12Å; E549-E553 PolarHBondContact O-N 2.94Å
550A81.3Confident78.2Confident57 Ų57109 Ų10947%0.47153%0.526SS..Hα-helixtrans-60.2-37176.300000112.8E546 R554E546-A550 WeakPolarHBondContact O-CB 3.28Å; E546-A550 PolarHBondContact O-N 3.19Å; A550-R554 WeakPolarHBondContact O-CB 3.47Å; A550-R554 PolarHBondContact O-N 3.41Å
551N79.9Confident78.9Confident82 Ų82107.3 Ų107.344%0.43951%0.513SS..Hα-helixtrans-74.4-32.2177.5-162.61.4000112.2K547 E548 E549 K555K547-N551 VanDerWaalsContact O-CB 3.27Å; K547-N551 WeakPolarHBondContact O-CB 3.34Å; K547-N551 PolarHBondContact O-N 3.4Å; K547-N551 VanDerWaalsContact O-N 3.09Å; E548-N551 PolarHBondContact O-N 3.41Å; E549-N551 VanDerWaalsContact C-N 3.29Å; E549-N551 PolarHBondContact O-N 3.02Å; N551-K555 WeakPolarHBondContact O-CG 3.38Å; N551-K555 PolarHBondContact O-N 3.27Å
552A80.5Confident79.7Confident58 Ų58108.2 Ų108.248%0.47952%0.52SS..Hα-helixtrans-66.7-45.1172.200000110.9E548 E549 R554 K555 L556E548-A552 WeakPolarHBondContact O-CB 3.36Å; E548-A552 PolarHBondContact O-N 2.99Å; E549-A552 WeakPolarHBondContact O-CB 3.43Å; E549-A552 PolarHBondContact O-N 3.42Å; E549-A552 VanDerWaalsContact O-N 3.12Å; A552-R554 PolarHBondContact O-N 2.98Å; A552-K555 PolarHBondContact O-N 3.32Å; A552-L556 PolarHBondContact O-N 3.25Å
553E81.1Confident80.2Confident100 Ų100111.4 Ų111.447%0.46753%0.534SS..Hα-helixtrans-61.6-44.6177.3-164.3-170.2167.600111.8E549 K555 L556 R557E549-E553 PolarHBondContact O-N 2.94Å; E553-K555 VanDerWaalsContact C-N 3.31Å; E553-K555 PolarHBondContact O-N 3.08Å; E553-L556 WeakPolarHBondContact O-CB 3.37Å; E553-L556 PolarHBondContact O-N 2.87Å; E553-L556 VanDerWaalsContact O-N 3.17Å; E553-R557 PolarHBondContact O-N 3.41Å; E553-R557 IonicContact OE1-CZ 3.33Å; E553-R557 IonicContact OE1-NE 3.88Å; E553-R557 PolarHBondContact OE1-NE 3.17Å; E553-R557 IonicContact OE1-NH2 2.77Å; E553-R557 PolarHBondContact OE1-NH2 2.93Å
554R80.6Confident80.8Confident129 Ų129115.5 Ų115.549%0.48755%0.549SS..Hα-helixtrans-57.7-42175.1-175.2179178.8166.15.3112.4A550 A552 R557 E558A550-R554 WeakPolarHBondContact O-CB 3.47Å; A550-R554 PolarHBondContact O-N 3.41Å; A552-R554 PolarHBondContact O-N 2.98Å; R554-R557 PolarHBondContact O-N 3.34Å; R554-E558 PolarHBondContact O-N 2.97Å
555K80.5Confident81.4Confident100 Ų100113.2 Ų113.244%0.43554%0.544SS..Hα-helixtrans-68.9-37.1177.7-74.9171.7-172.4162.10112.1N551 A552 E553 E558 L559N551-K555 WeakPolarHBondContact O-CG 3.38Å; N551-K555 PolarHBondContact O-N 3.27Å; A552-K555 PolarHBondContact O-N 3.32Å; E553-K555 VanDerWaalsContact C-N 3.31Å; E553-K555 PolarHBondContact O-N 3.08Å; K555-E558 PolarHBondContact O-N 3.44Å; K555-L559 PolarHBondContact O-N 3.03Å
556L81.6Confident81.8Confident98 Ų98112.4 Ų112.451%0.51354%0.54SS..Hα-helixtrans-63-43.9175.5-172.865000110.7A552 E553 E558 L559 M560A552-L556 PolarHBondContact O-N 3.25Å; E553-L556 WeakPolarHBondContact O-CB 3.37Å; E553-L556 PolarHBondContact O-N 2.87Å; E553-L556 VanDerWaalsContact O-N 3.17Å; L556-E558 VanDerWaalsContact C-N 3.35Å; L556-E558 PolarHBondContact O-N 3.44Å; L556-L559 WeakPolarHBondContact O-CB 3.32Å; L556-L559 PolarHBondContact O-N 3.18Å; L556-L559 VanDerWaalsContact O-N 3.14Å; L556-M560 HydrophobicContact CD1-CE 4.11Å; L556-M560 WeakPolarHBondContact O-CG 3.49Å; L556-M560 PolarHBondContact O-N 2.86Å; L556-M560 VanDerWaalsContact O-N 3.1Å
557R80.1Confident82Confident159 Ų159111.9 Ų111.960%0.654%0.542SS*.Hα-helixtrans-60.1-42.2172.8-67.8-177.1-169.9-177.72.7112E553 R554 L559 M560 L561E553-R557 PolarHBondContact O-N 3.41Å; E553-R557 IonicContact OE1-CZ 3.33Å; E553-R557 IonicContact OE1-NE 3.88Å; E553-R557 PolarHBondContact OE1-NE 3.17Å; E553-R557 IonicContact OE1-NH2 2.77Å; E553-R557 PolarHBondContact OE1-NH2 2.93Å; R554-R557 PolarHBondContact O-N 3.34Å; R557-L559 VanDerWaalsContact C-N 3.26Å; R557-L559 PolarHBondContact O-N 3.38Å; R557-M560 PolarHBondContact O-N 3.49Å; R557-L561 WeakPolarHBondContact O-CD1 3.44Å; R557-L561 PolarHBondContact O-N 3.35Å
558E81.8Confident82.5Confident65 Ų65109.7 Ų109.730%0.30454%0.54SS..Hα-helixtrans-61.9-32175.7-170-176.6169.500113R554 K555 L556 Y569R554-E558 PolarHBondContact O-N 2.97Å; K555-E558 PolarHBondContact O-N 3.44Å; L556-E558 VanDerWaalsContact C-N 3.35Å; L556-E558 PolarHBondContact O-N 3.44Å; E558-Y569 HydrophobicContact CB-CE1 4.45Å; E558-Y569 HydrophobicContact CG-CD1 4.33Å; E558-Y569 HydrophobicContact CG-CE1 3.97Å
559L79.9Confident83.1Confident126 Ų126105.7 Ų105.766%0.6652%0.519SS*.Hα-helixtrans-74-31.7176.1-84.8151.8000113K555 L556 R557 L561K555-L559 PolarHBondContact O-N 3.03Å; L556-L559 WeakPolarHBondContact O-CB 3.32Å; L556-L559 PolarHBondContact O-N 3.18Å; L556-L559 VanDerWaalsContact O-N 3.14Å; R557-L559 VanDerWaalsContact C-N 3.26Å; R557-L559 PolarHBondContact O-N 3.38Å; L559-L561 VanDerWaalsContact C-N 3.33Å
560M86.2Confident83.3Confident147 Ų147104.5 Ų104.572%0.72451%0.511SS*.Hα-helixtrans-80.3-8.4179.5-65.8-64.1167.300113.9L556 R557L556-M560 HydrophobicContact CD1-CE 4.11Å; L556-M560 WeakPolarHBondContact O-CG 3.49Å; L556-M560 PolarHBondContact O-N 2.86Å; L556-M560 VanDerWaalsContact O-N 3.1Å; R557-M560 PolarHBondContact O-N 3.49Å
561L83Confident83.7Confident51 Ų51109.8 Ų109.827%0.26752%0.524SS..SBendtrans-66.1131.1175-99.781.5000111.2R557 L559 K563 H565 Y569R557-L561 WeakPolarHBondContact O-CD1 3.44Å; R557-L561 PolarHBondContact O-N 3.35Å; L559-L561 VanDerWaalsContact C-N 3.33Å; L561-K563 PolarHBondContact O-N 3.2Å; L561-H565 HydrophobicContact CD2-CB 4.47Å; L561-Y569 HydrophobicContact CD2-CD1 4.34Å; L561-Y569 HydrophobicContact CD2-CD2 4Å; L561-Y569 HydrophobicContact CD2-CG 3.71Å
562P86.3Confident84.1Confident81 Ų81111.2 Ų111.253%0.52653%0.529SS..  trans-55141.4172.2-23.131.5000111.4K564 H565 K566P562-K564 PolarHBondContact O-N 2.97Å; P562-H565 PolarHBondContact O-N 3.18Å; P562-K566 PolarHBondContact O-N 2.85Å
563K84.7Confident84.5Confident196 Ų196109.6 Ų109.685%0.85251%0.513SS*.G310 helixtrans-52.2-34.8-175.3-71.1-176.3179.8175.90113.3L561 H565 K566L561-K563 PolarHBondContact O-N 3.2Å; K563-H565 VanDerWaalsContact C-N 3.32Å; K563-H565 PolarHBondContact O-N 3.3Å; K563-K566 PolarHBondContact O-N 2.94Å
564K85.5Confident84.8Confident190 Ų190111.3 Ų111.383%0.82652%0.521SS*.G310 helixtrans-60.1-36178.1-63.5-176.6178.9-177.70113P562P562-K564 PolarHBondContact O-N 2.97Å
565H85.9Confident85.2Confident110 Ų110108 Ų10851%0.50952%0.518SS..G310 helixtrans-94.7-8.6-176-60.2-67.5000114L561 P562 K563 N567 V568 Y569L561-H565 HydrophobicContact CD2-CB 4.47Å; P562-H565 PolarHBondContact O-N 3.18Å; K563-H565 VanDerWaalsContact C-N 3.32Å; K563-H565 PolarHBondContact O-N 3.3Å; H565-N567 VanDerWaalsContact C-N 3.32Å; H565-N567 PolarHBondContact O-N 3.34Å; H565-V568 PolarHBondContact O-N 3.44Å; H565-Y569 PolarHBondContact O-N 3.15Å
566K86Confident85.6Confident70 Ų70107.1 Ų107.130%0.30452%0.517SS..Hα-helixtrans-62.3-36.4-175.4-166.8165.2-170.5160.90113.3P562 K563 K570P562-K566 PolarHBondContact O-N 2.85Å; K563-K566 PolarHBondContact O-N 2.94Å; K566-K570 VanDerWaalsContact O-CG 3.31Å; K566-K570 WeakPolarHBondContact O-CG 3.46Å; K566-K570 PolarHBondContact O-N 3.44Å; K566-K570 VanDerWaalsContact O-N 3.08Å
567N84Confident86Confident115 Ų115108.2 Ų108.262%0.61552%0.517SS*.Hα-helixtrans-72.8-38.7178.5-76.2-9000112.5H565 K570 K571H565-N567 VanDerWaalsContact C-N 3.32Å; H565-N567 PolarHBondContact O-N 3.34Å; N567-K570 PolarHBondContact O-N 3.46Å; N567-K571 PolarHBondContact O-N 2.96Å; N567-K571 VanDerWaalsContact O-N 3.08Å
568V87.3Confident86.5Confident91 Ų91108.5 Ų108.555%0.55252%0.519SS*.Hα-helixtrans-64.2-46.4175.4179.90000110.2H565 K570 K571 M572H565-V568 PolarHBondContact O-N 3.44Å; V568-K570 PolarHBondContact O-N 3.49Å; V568-K571 PolarHBondContact O-N 3.41Å; V568-M572 PolarHBondContact O-N 3.23Å
569Y87.4Confident87Confident61 Ų61111.7 Ų111.724%0.23953%0.531CS..Hα-helixtrans-58.5-44.3175.6-178.8-100.7000112.4E558 L561 H565 K571 M572 V573E558-Y569 HydrophobicContact CB-CE1 4.45Å; E558-Y569 HydrophobicContact CG-CD1 4.33Å; E558-Y569 HydrophobicContact CG-CE1 3.97Å; L561-Y569 HydrophobicContact CD2-CD1 4.34Å; L561-Y569 HydrophobicContact CD2-CD2 4Å; L561-Y569 HydrophobicContact CD2-CG 3.71Å; H565-Y569 PolarHBondContact O-N 3.15Å; Y569-K571 PolarHBondContact O-N 3.35Å; Y569-M572 PolarHBondContact O-N 3.45Å; Y569-V573 HydrophobicContact CD1-CG2 4.04Å; Y569-V573 HydrophobicContact CD2-CG2 4.33Å; Y569-V573 HydrophobicContact CE1-CG2 3.59Å; Y569-V573 HydrophobicContact CE2-CG2 3.92Å; Y569-V573 HydrophobicContact CG-CG2 4.38Å; Y569-V573 WeakPolarHBondContact O-CG2 3.25Å; Y569-V573 PolarHBondContact O-N 2.86Å
570K86.2Confident87.5Confident108 Ų108111.5 Ų111.547%0.4753%0.527SS..Hα-helixtrans-59.6-43.4175.8-78.4176.6178.7-1770112.6K566 N567 V568 H574K566-K570 VanDerWaalsContact O-CG 3.31Å; K566-K570 WeakPolarHBondContact O-CG 3.46Å; K566-K570 PolarHBondContact O-N 3.44Å; K566-K570 VanDerWaalsContact O-N 3.08Å; N567-K570 PolarHBondContact O-N 3.46Å; V568-K570 PolarHBondContact O-N 3.49Å; K570-H574 WeakPolarHBondContact O-CB 3.21Å; K570-H574 PolarHBondContact O-N 3.18Å
571K88.6Confident87.6Confident169 Ų169111 Ų11174%0.73552%0.521SS*.Hα-helixtrans-63.3-43.5176-74.3-174.6176.8-174.80111.4N567 V568 Y569 H574 S575N567-K571 PolarHBondContact O-N 2.96Å; N567-K571 VanDerWaalsContact O-N 3.08Å; V568-K571 PolarHBondContact O-N 3.41Å; Y569-K571 PolarHBondContact O-N 3.35Å; K571-H574 PolarHBondContact O-N 3.12Å; K571-S575 PolarHBondContact O-N 3.31Å
572M89.2Confident88.1Confident111 Ų111112.6 Ų112.655%0.54753%0.527SS..Hα-helixtrans-61.5-49.7176.6-176.2-171.9-77.900111.8V568 Y569 H574 S575 I576V568-M572 PolarHBondContact O-N 3.23Å; Y569-M572 PolarHBondContact O-N 3.45Å; M572-H574 VanDerWaalsContact C-N 3.28Å; M572-H574 PolarHBondContact O-N 2.84Å; M572-S575 WeakPolarHBondContact O-CB 3.27Å; M572-S575 PolarHBondContact O-N 3.05Å; M572-S575 VanDerWaalsContact O-N 3.17Å; M572-I576 HydrophobicContact CG-CD1 4.06Å; M572-I576 WeakPolarHBondContact O-CG1 3.46Å; M572-I576 PolarHBondContact O-N 3.14Å
573V88.3Confident88.4Confident24 Ų24112.3 Ų112.315%0.14552%0.524CS..Hα-helixtrans-62-37.1177.9172.10000111.6Y569 K577Y569-V573 HydrophobicContact CD1-CG2 4.04Å; Y569-V573 HydrophobicContact CD2-CG2 4.33Å; Y569-V573 HydrophobicContact CE1-CG2 3.59Å; Y569-V573 HydrophobicContact CE2-CG2 3.92Å; Y569-V573 HydrophobicContact CG-CG2 4.38Å; Y569-V573 WeakPolarHBondContact O-CG2 3.25Å; Y569-V573 PolarHBondContact O-N 2.86Å; V573-K577 HydrophobicContact CG1-CD 4.25Å; V573-K577 HydrophobicContact CG1-CG 4.5Å; V573-K577 WeakPolarHBondContact O-CB 3.18Å; V573-K577 WeakPolarHBondContact O-CG 3.3Å; V573-K577 PolarHBondContact O-N 3.23Å
574H86.8Confident88.6Confident137 Ų137112 Ų11263%0.63452%0.517SS*.Hα-helixtrans-66.6-41.2175.9-168.270.1000111.9K570 K571 M572 K577 R578K570-H574 WeakPolarHBondContact O-CB 3.21Å; K570-H574 PolarHBondContact O-N 3.18Å; K571-H574 PolarHBondContact O-N 3.12Å; M572-H574 VanDerWaalsContact C-N 3.28Å; M572-H574 PolarHBondContact O-N 2.84Å; H574-K577 PolarHBondContact O-N 3.32Å; H574-R578 WeakPolarHBondContact O-CB 3.02Å; H574-R578 PolarHBondContact O-N 3.31Å
575S89.4Confident88.9Confident59 Ų59108.4 Ų108.441%0.41350%0.503SS..Hα-helixtrans-62-45.3174.2-176.70000112K571 M572 R578 K579K571-S575 PolarHBondContact O-N 3.31Å; M572-S575 WeakPolarHBondContact O-CB 3.27Å; M572-S575 PolarHBondContact O-N 3.05Å; M572-S575 VanDerWaalsContact O-N 3.17Å; S575-R578 PolarHBondContact O-N 3.46Å; S575-K579 WeakPolarHBondContact O-CG 3.15Å; S575-K579 PolarHBondContact O-N 3.12Å
576I89Confident89.1Confident82 Ų82108.8 Ų108.842%0.42151%0.509SS..Hα-helixtrans-60.1-49.5176.1-66.8167.3000110.6M572 R578 K579 E580M572-I576 HydrophobicContact CG-CD1 4.06Å; M572-I576 WeakPolarHBondContact O-CG1 3.46Å; M572-I576 PolarHBondContact O-N 3.14Å; I576-R578 VanDerWaalsContact C-N 3.26Å; I576-R578 PolarHBondContact O-N 3.34Å; I576-K579 PolarHBondContact O-N 3.41Å; I576-E580 HydrophobicContact CG2-CG 4.36Å; I576-E580 WeakPolarHBondContact O-CG 3.48Å; I576-E580 PolarHBondContact O-N 2.87Å
577K90.1Very high89.3Confident120 Ų120110.4 Ų110.452%0.52252%0.517SS..Hα-helixtrans-61.6-33.6178.4-77.8-177.9177.1-176.70113.2V573 H574 K581V573-K577 HydrophobicContact CG1-CD 4.25Å; V573-K577 HydrophobicContact CG1-CG 4.5Å; V573-K577 WeakPolarHBondContact O-CB 3.18Å; V573-K577 WeakPolarHBondContact O-CG 3.3Å; V573-K577 PolarHBondContact O-N 3.23Å; H574-K577 PolarHBondContact O-N 3.32Å; K577-K581 WeakPolarHBondContact O-CB 3.41Å; K577-K581 PolarHBondContact O-N 2.94Å
578R90.7Very high89.5Confident166 Ų166106.8 Ų106.863%0.62650%0.503SS*.Hα-helixtrans-67.1-48.3175.5-175.6179.5172.9169.42.5110.6H574 S575 I576 E580 K581 E582H574-R578 WeakPolarHBondContact O-CB 3.02Å; H574-R578 PolarHBondContact O-N 3.31Å; S575-R578 PolarHBondContact O-N 3.46Å; I576-R578 VanDerWaalsContact C-N 3.26Å; I576-R578 PolarHBondContact O-N 3.34Å; R578-E580 PolarHBondContact O-N 3.17Å; R578-K581 WeakPolarHBondContact O-CB 3.17Å; R578-K581 PolarHBondContact O-N 3.2Å; R578-E582 IonicContact NE-OE1 3.18Å; R578-E582 PolarHBondContact NE-OE1 2.95Å; R578-E582 WeakPolarHBondContact O-CG 3.13Å; R578-E582 PolarHBondContact O-N 3.02Å
579K91.5Very high89.6Confident132 Ų132109 Ų10957%0.57451%0.505SS*.Hα-helixtrans-59.6-44.7174.9-69.6-176.7179.4-173.30112S575 I576 K581 E582 V583S575-K579 WeakPolarHBondContact O-CG 3.15Å; S575-K579 PolarHBondContact O-N 3.12Å; I576-K579 PolarHBondContact O-N 3.41Å; K579-K581 VanDerWaalsContact C-N 3.3Å; K579-K581 PolarHBondContact O-N 3.08Å; K579-E582 PolarHBondContact O-N 3.01Å; K579-V583 WeakPolarHBondContact O-CG2 3.31Å; K579-V583 PolarHBondContact O-N 3.06Å
580E90.4Very high89.6Confident122 Ų122114.5 Ų114.557%0.5753%0.525SS*.Hα-helixtrans-60.2-38.7175.4-75.8175.3172.500112.4I576 R578 R584I576-E580 HydrophobicContact CG2-CG 4.36Å; I576-E580 WeakPolarHBondContact O-CG 3.48Å; I576-E580 PolarHBondContact O-N 2.87Å; R578-E580 PolarHBondContact O-N 3.17Å; E580-R584 VanDerWaalsContact O-CB 3.32Å; E580-R584 WeakPolarHBondContact O-CB 3.5Å; E580-R584 PolarHBondContact O-N 3.22Å
581K90.2Very high89.6Confident135 Ų135117.7 Ų117.759%0.58753%0.534SS*.Hα-helixtrans-67.8-42.4176.7-172.7-178.4177.3-173.30111.6K577 R578 K579 R584 Q585K577-K581 WeakPolarHBondContact O-CB 3.41Å; K577-K581 PolarHBondContact O-N 2.94Å; R578-K581 WeakPolarHBondContact O-CB 3.17Å; R578-K581 PolarHBondContact O-N 3.2Å; K579-K581 VanDerWaalsContact C-N 3.3Å; K579-K581 PolarHBondContact O-N 3.08Å; K581-R584 PolarHBondContact O-N 2.96Å; K581-Q585 VanDerWaalsContact O-CG 3.31Å; K581-Q585 WeakPolarHBondContact O-CG 3.5Å; K581-Q585 PolarHBondContact O-N 3.48Å
582E91.6Very high89.3Confident86 Ų86117.3 Ų117.340%0.40253%0.528SS..Hα-helixtrans-62.5-46.7175.7-73.7167.4-17000110.7R578 K579 R584 Q585 L586R578-E582 IonicContact NE-OE1 3.18Å; R578-E582 PolarHBondContact NE-OE1 2.95Å; R578-E582 WeakPolarHBondContact O-CG 3.13Å; R578-E582 PolarHBondContact O-N 3.02Å; K579-E582 PolarHBondContact O-N 3.01Å; E582-R584 PolarHBondContact O-N 3.43Å; E582-Q585 WeakPolarHBondContact O-CB 3.44Å; E582-Q585 PolarHBondContact O-N 2.89Å; E582-L586 WeakPolarHBondContact O-CG 3.42Å; E582-L586 PolarHBondContact O-N 3.25Å
583V92.7Very high89.1Confident75 Ų75117.7 Ų117.746%0.45553%0.531SS..Hα-helixtrans-58.3-47.6174.8173.50000111K579 Q585 L586 E587K579-V583 WeakPolarHBondContact O-CG2 3.31Å; K579-V583 PolarHBondContact O-N 3.06Å; V583-Q585 VanDerWaalsContact C-N 3.3Å; V583-Q585 PolarHBondContact O-N 2.95Å; V583-L586 PolarHBondContact O-N 2.97Å; V583-L586 VanDerWaalsContact O-N 3.15Å; V583-E587 HydrophobicContact CG1-CG 4.44Å; V583-E587 WeakPolarHBondContact O-CG 3.48Å; V583-E587 PolarHBondContact O-N 3.25Å
584R90.1Very high88.9Confident189 Ų189122.1 Ų122.171%0.71355%0.554SS**Hα-helixtrans-61.6-36.3177.8-174.1-178.7-120168.8-0.1112.7E580 K581 E582 A588E580-R584 VanDerWaalsContact O-CB 3.32Å; E580-R584 WeakPolarHBondContact O-CB 3.5Å; E580-R584 PolarHBondContact O-N 3.22Å; K581-R584 PolarHBondContact O-N 2.96Å; E582-R584 PolarHBondContact O-N 3.43Å; R584-A588 VanDerWaalsContact O-CB 3.27Å; R584-A588 WeakPolarHBondContact O-CB 3.39Å; R584-A588 PolarHBondContact O-N 3.06Å
585Q90.7Very high88.5Confident114 Ų114122.9 Ų122.953%0.53356%0.56SS.*Hα-helixtrans-68-41175.4-76.6176.2-12.800111.5K581 E582 V583 A588 K589K581-Q585 VanDerWaalsContact O-CG 3.31Å; K581-Q585 WeakPolarHBondContact O-CG 3.5Å; K581-Q585 PolarHBondContact O-N 3.48Å; E582-Q585 WeakPolarHBondContact O-CB 3.44Å; E582-Q585 PolarHBondContact O-N 2.89Å; V583-Q585 VanDerWaalsContact C-N 3.3Å; V583-Q585 PolarHBondContact O-N 2.95Å; Q585-A588 PolarHBondContact O-N 2.65Å; Q585-K589 PolarHBondContact O-N 2.82Å; Q585-K589 WeakPolarHBondContact O-CB 3.39Å
586L91.2Very high87.4Confident119 Ų119123.3 Ų123.362%0.62357%0.573SS**Hα-helixtrans-65.2-43.4175.1-68.9172.3000111.8E582 V583 K589 R590E582-L586 WeakPolarHBondContact O-CG 3.42Å; E582-L586 PolarHBondContact O-N 3.25Å; V583-L586 PolarHBondContact O-N 2.97Å; V583-L586 VanDerWaalsContact O-N 3.15Å; L586-K589 PolarHBondContact O-N 3.23Å; L586-R590 WeakPolarHBondContact O-CB 3.38Å; L586-R590 PolarHBondContact O-N 2.9Å
587E90.1Very high85.7Confident104 Ų104124.5 Ų124.549%0.48659%0.585SS.*Hα-helixtrans-61.3-43.4173.6-74.1179171.900111.9V583 K589 R590 R591V583-E587 HydrophobicContact CG1-CG 4.44Å; V583-E587 WeakPolarHBondContact O-CG 3.48Å; V583-E587 PolarHBondContact O-N 3.25Å; E587-K589 VanDerWaalsContact C-N 3.3Å; E587-K589 PolarHBondContact O-N 3.06Å; E587-R590 PolarHBondContact O-N 3.38Å; E587-R591 WeakPolarHBondContact O-CG 3.2Å; E587-R591 PolarHBondContact O-N 3.47Å; E587-R591 WeakPolarHBondContact O-CB 3.48Å
588A88.5Confident84Confident38 Ų38125.9 Ų125.931%0.31463%0.633SS.*Hα-helixtrans-67-31.3176.800000112.6R584 Q585 R592R584-A588 VanDerWaalsContact O-CB 3.27Å; R584-A588 WeakPolarHBondContact O-CB 3.39Å; R584-A588 PolarHBondContact O-N 3.06Å; Q585-A588 PolarHBondContact O-N 2.65Å; A588-R592 PolarHBondContact O-N 3.4Å; A588-R592 PolarHBondContact O-NE 3.12Å
589K88Confident83.6Confident137 Ų137123.9 Ų123.960%0.59663%0.634SS**Hα-helixtrans-71.8-43.8173.2-169177-179.5-178.10110.8Q585 L586 E587 R592 I593Q585-K589 PolarHBondContact O-N 2.82Å; Q585-K589 WeakPolarHBondContact O-CB 3.39Å; L586-K589 PolarHBondContact O-N 3.23Å; E587-K589 VanDerWaalsContact C-N 3.3Å; E587-K589 PolarHBondContact O-N 3.06Å; K589-R592 WeakPolarHBondContact O-CB 3.49Å; K589-R592 PolarHBondContact O-N 2.91Å; K589-I593 HydrophobicContact CG-CD1 4.35Å; K589-I593 WeakPolarHBondContact O-CG1 3.45Å; K589-I593 PolarHBondContact O-N 3.41Å
590R87.8Confident83.2Confident177 Ų177123.5 Ų123.567%0.66864%0.637SS**Hα-helixtrans-60.1-46.2174.7-170.7172-176171.93.1111.7L586 E587 R592 I593 D594L586-R590 WeakPolarHBondContact O-CB 3.38Å; L586-R590 PolarHBondContact O-N 2.9Å; E587-R590 PolarHBondContact O-N 3.38Å; R590-R592 VanDerWaalsContact C-N 3.28Å; R590-R592 PolarHBondContact O-N 3.48Å; R590-I593 PolarHBondContact O-N 3.29Å; R590-I593 VanDerWaalsContact O-N 3.12Å; R590-D594 PolarHBondContact O-N 3.36Å
591R86.2Confident82.8Confident175 Ų175123.6 Ų123.666%0.6664%0.641SS**Hα-helixtrans-59.1-35.7174.1-74.1-179.6-171.3-170.82.4113.3E587 M595E587-R591 WeakPolarHBondContact O-CG 3.2Å; E587-R591 PolarHBondContact O-N 3.47Å; E587-R591 WeakPolarHBondContact O-CB 3.48Å; R591-M595 VanDerWaalsContact O-CB 3.25Å; R591-M595 WeakPolarHBondContact O-CB 3.23Å; R591-M595 WeakPolarHBondContact O-CG 3.29Å; R591-M595 PolarHBondContact O-N 3.44Å
592R83.4Confident82.4Confident161 Ų161122.9 Ų122.961%0.60864%0.644SS**Hα-helixtrans-67.9-40.8175-84.3-176.8-105.8-179.9-9.5112.2A588 K589 R590 M595 G596 T597A588-R592 PolarHBondContact O-N 3.4Å; A588-R592 PolarHBondContact O-NE 3.12Å; K589-R592 WeakPolarHBondContact O-CB 3.49Å; K589-R592 PolarHBondContact O-N 2.91Å; R590-R592 VanDerWaalsContact C-N 3.28Å; R590-R592 PolarHBondContact O-N 3.48Å; R592-M595 PolarHBondContact O-N 3.32Å; R592-G596 PolarHBondContact O-N 2.99Å; R592-T597 PolarHBondContact O-N 2.85Å
593I84.9Confident81.8Confident119 Ų119125.2 Ų125.261%0.6166%0.659SS**Hα-helixtrans-64.8-48175.7-64.5165.6000110.3K589 R590 M595 G596K589-I593 HydrophobicContact CG-CD1 4.35Å; K589-I593 WeakPolarHBondContact O-CG1 3.45Å; K589-I593 PolarHBondContact O-N 3.41Å; R590-I593 PolarHBondContact O-N 3.29Å; R590-I593 VanDerWaalsContact O-N 3.12Å; I593-M595 VanDerWaalsContact C-N 3.25Å; I593-M595 PolarHBondContact O-N 3.02Å; I593-G596 PolarHBondContact O-N 3.18Å; I593-G596 VanDerWaalsContact O-N 3.12Å
594D83.7Confident81.1Confident117 Ų117128.5 Ų128.563%0.62667%0.673SS**Hα-helixtrans-63.7-30179.1-66.5-20.2000112.4R590 G596R590-D594 PolarHBondContact O-N 3.36Å; D594-G596 VanDerWaalsContact C-N 3.28Å; D594-G596 PolarHBondContact O-N 2.85Å
595M77.5Confident80.4Confident154 Ų154124.2 Ų124.276%0.75967%0.67SS**THydrogen-bonded Turntrans-86.510.6177.7-65.5-77.5-10600113.5R591 R592 I593 T597R591-M595 VanDerWaalsContact O-CB 3.25Å; R591-M595 WeakPolarHBondContact O-CB 3.23Å; R591-M595 WeakPolarHBondContact O-CG 3.29Å; R591-M595 PolarHBondContact O-N 3.44Å; R592-M595 PolarHBondContact O-N 3.32Å; I593-M595 VanDerWaalsContact C-N 3.25Å; I593-M595 PolarHBondContact O-N 3.02Å; M595-T597 VanDerWaalsContact C-N 3.26Å; M595-T597 PolarHBondContact O-N 3.5Å; M595-T597 VanDerWaalsContact O-N 3.14Å
596G68Low79.6Confident67 Ų67125 Ų12569%0.69168%0.68SS**THydrogen-bonded Turntrans64.122.2168.800000115.9R592 I593 D594R592-G596 PolarHBondContact O-N 2.99Å; I593-G596 PolarHBondContact O-N 3.18Å; I593-G596 VanDerWaalsContact O-N 3.12Å; D594-G596 VanDerWaalsContact C-N 3.28Å; D594-G596 PolarHBondContact O-N 2.85Å
597T52.9Low78.7Confident107 Ų107125.5 Ų125.566%0.65669%0.685SS**  trans-11074.8177.9390000109.7R592 M595R592-T597 PolarHBondContact O-N 2.85Å; M595-T597 VanDerWaalsContact C-N 3.26Å; M595-T597 PolarHBondContact O-N 3.5Å; M595-T597 VanDerWaalsContact O-N 3.14Å
598G53.4Low77.6Confident150 Ų150127.5 Ų127.5100%1.54670%0.703SS**  trans-119.90171.500000110.1

Retrieved 598 of 598 residues in 407 ms (Link to these results)

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