A0A087XYZ4_POEFO Loading...

Isochorismatase domain containing 2

AlphaFold DB , UniProt , Accession A0A087XYZ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 197 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
1M45.6Very low84.9Confident234 Ų23493.9 Ų93.9100%1.15348%0.483SS*.  01420-63.1-178.5-16000107.1N3M1-N3 PolarHBondContact O-N 3.17Å
2P57.1Low86Confident119 Ų11986.3 Ų86.377%0.77344%0.444SS*.  trans-56.7133.317224.6-31.4000108.6
3N81.5Confident87Confident83 Ų8379.6 Ų79.644%0.44441%0.41SS..  trans-68.5139.5174.5-158.3-26.7000108.6M1 G5 E125 Y154M1-N3 PolarHBondContact O-N 3.17Å; N3-G5 PolarHBondContact OD1-N 2.73Å; N3-E125 VanDerWaalsContact ND2-CG 3.32Å; N3-E125 WeakPolarHBondContact ND2-CG 3.22Å; N3-E125 PolarHBondContact ND2-OE1 2.97Å; N3-Y154 VanDerWaalsContact C-OH 3.22Å; N3-Y154 PolarHBondContact O-OH 2.82Å
4V90.4Very high87.8Confident106 Ų10673.9 Ų73.964%0.64238%0.381SS*.  trans-104.7-0.7-177.4-60.90000112.6R6V4-R6 HydrophobicContact CG2-CB 4.25Å
5G92.3Very high88.6Confident6 Ų669 Ų696%0.06236%0.355CS..  trans6749.1179.800000112.4N3 H127 Y154N3-G5 PolarHBondContact OD1-N 2.73Å; G5-H127 PolarHBondContact O-CE1 3.28Å; G5-H127 VanDerWaalsContact O-CE1 3.27Å; G5-Y154 VanDerWaalsContact CA-CE2 3.43Å; G5-Y154 VanDerWaalsContact CA-CZ 3.4Å; G5-Y154 VanDerWaalsContact N-CZ 3.33Å; G5-Y154 PolarHBondContact N-OH 2.71Å
6R94.3Very high89.2Confident158 Ų15864.7 Ų64.760%0.59633%0.333SS*.  trans-88.9109.5178.1-179.4178.4-64.6-95-4.8109.8V4 Q100V4-R6 HydrophobicContact CG2-CB 4.25Å; R6-Q100 PolarHBondContact O-NE2 3.17Å
7L95.3Very high89.8Confident1 Ų160.9 Ų60.91%0.00531%0.314CS..  trans-64.3141.9177.7-77.2169.3000113.1Q100 I102 H127 V161 Q164 L165L7-Q100 HydrophobicContact CD2-CB 4.44Å; L7-I102 HydrophobicContact CD1-CD1 4.5Å; L7-I102 HydrophobicContact CD2-CD1 4.07Å; L7-I102 HydrophobicContact CD2-CG1 3.83Å; L7-H127 HydrophobicContact CD2-CB 4.43Å; L7-H127 VanDerWaalsContact CD2-CD2 3.45Å; L7-H127 WeakPolarHBondContact CD2-CD2 3.48Å; L7-V161 HydrophobicContact CD1-CB 4.32Å; L7-V161 HydrophobicContact CD1-CG1 4.08Å; L7-V161 HydrophobicContact CD1-CG2 3.97Å; L7-Q164 HydrophobicContact CB-CB 4.49Å; L7-L165 HydrophobicContact CB-CD2 3.94Å; L7-L165 HydrophobicContact CB-CG 4.46Å
8S94.4Very high90.3Very high31 Ų3157.6 Ų57.622%0.21730%0.296CS..  trans-132.5135.9177.8168.20000109.1K10 D11 A12S8-K10 PolarHBondContact O-N 3.41Å; S8-K10 PolarHBondContact OG-N 3.26Å; S8-D11 WeakPolarHBondContact CB-OD2 3.41Å; S8-D11 PolarHBondContact OG-OD2 3.09Å; S8-A12 WeakPolarHBondContact O-CB 3.31Å; S8-A12 PolarHBondContact O-N 3.05Å
9T94.6Very high90.7Very high39 Ų3954.6 Ų54.624%0.23928%0.281CS..THydrogen-bonded Turntrans-66.1-22.5176.551.90000113.2L47 I49 L165T9-L47 HydrophobicContact CG2-CB 4.06Å; T9-L47 HydrophobicContact CG2-CD1 4.25Å; T9-L47 HydrophobicContact CG2-CD2 4.41Å; T9-L47 HydrophobicContact CG2-CG 4.47Å; T9-I49 HydrophobicContact CG2-CD1 4.31Å; T9-L165 HydrophobicContact CG2-CB 4.15Å; T9-L165 HydrophobicContact CG2-CD2 4.02Å
10K93.5Very high91.1Very high187 Ų18751.9 Ų51.981%0.81327%0.267SS*.THydrogen-bonded Turntrans-84.9-25.3-176.2-63.8-176.9-179.4179.80113.8S8S8-K10 PolarHBondContact O-N 3.41Å; S8-K10 PolarHBondContact OG-N 3.26Å
11D94.6Very high91.5Very high69 Ų6952.4 Ų52.437%0.36927%0.269SS..THydrogen-bonded Turntrans-111.3-4.2-171.5-54.2-68.7000112.3S8 P98 K99 Q100S8-D11 WeakPolarHBondContact CB-OD2 3.41Å; S8-D11 PolarHBondContact OG-OD2 3.09Å; D11-P98 CarbonylContact O-C 3.39Å; D11-P98 VanDerWaalsContact O-CB 3.27Å; D11-P98 WeakPolarHBondContact O-CB 3.18Å; D11-K99 HydrophobicContact CB-CB 4.44Å; D11-K99 PolarHBondContact O-N 2.77Å; D11-Q100 HydrophobicContact CB-CG 4.25Å; D11-Q100 PolarHBondContact O-N 3.23Å
12A98.2Very high94Very high2 Ų247 Ų472%0.01724%0.239CC..EExtended strand (participates in β ladder)trans-92.7149.2-176.100000112.9S8 I49 P50 Q100 I102S8-A12 WeakPolarHBondContact O-CB 3.31Å; S8-A12 PolarHBondContact O-N 3.05Å; A12-I49 HydrophobicContact CB-CG2 4.2Å; A12-P50 WeakPolarHBondContact O-CD 3.45Å; A12-Q100 CarbonylContact C-O 3.55Å; A12-Q100 VanDerWaalsContact CA-O 3.31Å; A12-Q100 WeakPolarHBondContact CA-O 3.36Å; A12-Q100 HydrophobicContact CB-CB 4.3Å; A12-I102 HydrophobicContact CB-CD1 4.16Å
13V98.8Very high96Very high0 Ų042.7 Ų42.70%021%0.208CC..EExtended strand (participates in β ladder)trans-133.6137.7165.151.30000108.5F15 P50 I52 L92 L95 P98 Q100 A101 I102 M124V13-F15 HydrophobicContact CB-CE2 4.39Å; V13-F15 HydrophobicContact CG1-CD2 4.13Å; V13-F15 HydrophobicContact CG1-CE2 3.53Å; V13-F15 HydrophobicContact CG2-CD2 4.26Å; V13-F15 HydrophobicContact CG2-CE2 4.01Å; V13-P50 HydrophobicContact CB-CG 4.18Å; V13-P50 HydrophobicContact CG2-CG 4.32Å; V13-I52 HydrophobicContact CG2-CD1 3.99Å; V13-I52 HydrophobicContact CG2-CG1 4.06Å; V13-L92 HydrophobicContact CG1-CD2 3.96Å; V13-L92 HydrophobicContact CG2-CD2 4.37Å; V13-L95 HydrophobicContact CG2-CD1 4.32Å; V13-P98 HydrophobicContact CB-CB 4.21Å; V13-P98 HydrophobicContact CB-CG 3.82Å; V13-P98 HydrophobicContact CG1-CB 3.88Å; V13-P98 HydrophobicContact CG1-CG 3.42Å; V13-P98 VanDerWaalsContact CG1-CG 3.42Å; V13-Q100 WeakPolarHBondContact CG1-O 3.45Å; V13-Q100 PolarHBondContact N-O 2.9Å; V13-A101 WeakPolarHBondContact O-CA 3.25Å; V13-I102 PolarHBondContact O-N 2.78Å; V13-M124 HydrophobicContact CG1-CE 4.13Å
14L98.9Very high96.8Very high0 Ų042.1 Ų42.10%020%0.199CC..EExtended strand (participates in β ladder)trans-89.1130.2174.6173.964000109.7L16 V40 L41 S44 P50 T51 I52 I102L14-L16 HydrophobicContact CD1-CD2 4.31Å; L14-L16 HydrophobicContact CD2-CD2 4.11Å; L14-L16 HydrophobicContact CD2-CG 4.26Å; L14-L16 HydrophobicContact CG-CD2 4.22Å; L14-L16 HydrophobicContact CG-CG 4.24Å; L14-V40 HydrophobicContact CD1-CG1 3.69Å; L14-V40 HydrophobicContact CD2-CG1 4.16Å; L14-L41 HydrophobicContact CD2-CB 4.15Å; L14-L41 HydrophobicContact CD2-CD1 4.24Å; L14-S44 WeakPolarHBondContact CD2-OG 3.34Å; L14-P50 PolarHBondContact N-O 3.15Å; L14-T51 HydrophobicContact CB-CG2 4.01Å; L14-T51 HydrophobicContact CD2-CG2 3.8Å; L14-T51 HydrophobicContact CG-CG2 3.85Å; L14-T51 CarbonylContact O-C 3.56Å; L14-T51 VanDerWaalsContact O-CA 3.27Å; L14-T51 WeakPolarHBondContact O-CA 3.39Å; L14-I52 PolarHBondContact O-N 3.41Å; L14-I102 CarbonylContact C-O 3.56Å; L14-I102 WeakPolarHBondContact CA-O 3.48Å; L14-I102 HydrophobicContact CD1-CB 4.13Å; L14-I102 HydrophobicContact CD1-CG2 3.87Å; L14-I102 WeakPolarHBondContact CD1-O 3.48Å
15F98.9Very high97.1Very high0 Ų042.1 Ų42.10%020%0.202CC..EExtended strand (participates in β ladder)trans-107.4123.2170.5-78.1-108.8000109.6V13 I52 M83 M84 V88 L92 A101 I102 L103 C104 L119V13-F15 HydrophobicContact CB-CE2 4.39Å; V13-F15 HydrophobicContact CG1-CD2 4.13Å; V13-F15 HydrophobicContact CG1-CE2 3.53Å; V13-F15 HydrophobicContact CG2-CD2 4.26Å; V13-F15 HydrophobicContact CG2-CE2 4.01Å; F15-I52 WeakPolarHBondContact CA-O 3.47Å; F15-I52 HydrophobicContact CD1-CB 4.44Å; F15-I52 HydrophobicContact CD1-CG2 4.44Å; F15-I52 HydrophobicContact CE1-CD1 4.28Å; F15-I52 HydrophobicContact CE1-CG2 4.41Å; F15-I52 HydrophobicContact CE2-CD1 4.46Å; F15-I52 HydrophobicContact CZ-CD1 4.02Å; F15-M83 HydrophobicContact CB-CE 3.95Å; F15-M83 HydrophobicContact CB-SD 4Å; F15-M83 HydrophobicContact CD1-CB 4.25Å; F15-M83 HydrophobicContact CD1-CE 3.58Å; F15-M83 HydrophobicContact CD1-SD 3.73Å; F15-M83 HydrophobicContact CE1-CB 4.46Å; F15-M83 HydrophobicContact CG-CE 4.23Å; F15-M83 HydrophobicContact CG-SD 4.37Å; F15-M84 HydrophobicContact CE1-SD 4.15Å; F15-M84 HydrophobicContact CZ-SD 4.33Å; F15-V88 HydrophobicContact CE1-CG1 3.85Å; F15-V88 HydrophobicContact CZ-CG1 4.43Å; F15-L92 HydrophobicContact CE2-CD2 4.14Å; F15-L92 HydrophobicContact CZ-CD1 4.03Å; F15-L92 HydrophobicContact CZ-CD2 3.84Å; F15-L92 HydrophobicContact CZ-CG 4.3Å; F15-A101 HydrophobicContact CD2-CB 4.05Å; F15-A101 HydrophobicContact CE2-CB 4.02Å; F15-I102 PolarHBondContact N-O 2.89Å; F15-L103 HydrophobicContact CB-CD1 4Å; F15-L103 HydrophobicContact CB-CG 4.02Å; F15-L103 HydrophobicContact CD2-CD1 4.26Å; F15-L103 HydrophobicContact CG-CD1 4.26Å; F15-C104 PolarHBondContact O-N 2.9Å; F15-L119 HydrophobicContact CZ-CD2 4.17Å
16L98.9Very high97.4Very high0 Ų045.9 Ų45.90%022%0.22CC..EExtended strand (participates in β ladder)trans-107.1105.5172.8-64.2176.5000109L14 M19 L41 T51 I52 L53 T54 L68 A70 L73 M83 C104L14-L16 HydrophobicContact CD1-CD2 4.31Å; L14-L16 HydrophobicContact CD2-CD2 4.11Å; L14-L16 HydrophobicContact CD2-CG 4.26Å; L14-L16 HydrophobicContact CG-CD2 4.22Å; L14-L16 HydrophobicContact CG-CG 4.24Å; L16-M19 HydrophobicContact CD2-CE 4.04Å; L16-L41 HydrophobicContact CD1-CB 4.46Å; L16-L41 HydrophobicContact CD1-CD1 4.15Å; L16-L41 HydrophobicContact CD1-CD2 4.05Å; L16-L41 HydrophobicContact CD1-CG 4.45Å; L16-T51 HydrophobicContact CD1-CG2 3.71Å; L16-T51 HydrophobicContact CG-CG2 3.91Å; L16-I52 PolarHBondContact N-O 3.09Å; L16-L53 HydrophobicContact CB-CD1 3.7Å; L16-T54 PolarHBondContact O-N 3.39Å; L16-T54 VanDerWaalsContact O-N 3.12Å; L16-L68 HydrophobicContact CD1-CD2 4.1Å; L16-L68 HydrophobicContact CD1-CG 4.48Å; L16-L68 HydrophobicContact CD2-CD1 4.48Å; L16-A70 HydrophobicContact CD1-CB 4.33Å; L16-L73 HydrophobicContact CD1-CD1 4.11Å; L16-M83 WeakPolarHBondContact O-CE 3.38Å; L16-C104 HydrophobicContact CD2-CB 4.09Å
17C98.9Very high97.6Very high0 Ų038.9 Ų38.90%019%0.194CC..EExtended strand (participates in β ladder)trans-97.1108.9-171.4-163.10000111.7M19 M83 C104 G105 I106 C111 I112C17-M19 VanDerWaalsContact C-N 3.29Å; C17-M19 PolarHBondContact O-N 3.1Å; C17-M83 HydrophobicContact CB-CE 4.36Å; C17-M83 HydrophobicContact CB-CG 4.41Å; C17-M83 HydrophobicContact CB-SD 3.47Å; C17-M83 WeakPolarHBondContact CB-SD 3.36Å; C17-C104 WeakPolarHBondContact CB-O 3.35Å; C17-C104 PolarHBondContact N-O 3.3Å; C17-G105 VanDerWaalsContact O-CA 3.29Å; C17-G105 WeakPolarHBondContact O-CA 3.29Å; C17-I106 PolarHBondContact O-N 2.81Å; C17-C111 WeakPolarHBondContact SG-CB 3.48Å; C17-I112 HydrophobicContact CB-CD1 3.48Å; C17-I112 VanDerWaalsContact CB-CD1 3.48Å; C17-I112 HydrophobicContact CB-CG1 4.31Å
18D98.8Very high97.7Very high1 Ų142.3 Ų42.31%0.00521%0.209CC..  trans54.632.4156.7-51.6-18.3000115.9Q20 T54 Q56 K78 I106 C111D18-Q20 PolarHBondContact O-N 3.13Å; D18-T54 WeakPolarHBondContact CA-O 3.45Å; D18-T54 PolarHBondContact N-O 3.17Å; D18-T54 VanDerWaalsContact N-O 3.17Å; D18-T54 VanDerWaalsContact OD1-C 3.31Å; D18-T54 WeakPolarHBondContact OD1-CB 3.28Å; D18-T54 PolarHBondContact OD1-OG1 3.37Å; D18-Q56 HydrophobicContact CB-CB 4.17Å; D18-Q56 PolarHBondContact OD1-N 2.81Å; D18-K78 VanDerWaalsContact OD1-CE 3.29Å; D18-K78 WeakPolarHBondContact OD1-CE 3.36Å; D18-K78 IonicContact OD1-NZ 2.78Å; D18-K78 WeakPolarHBondContact OD2-CE 3.49Å; D18-K78 IonicContact OD2-NZ 3.37Å; D18-K78 PolarHBondContact OD2-NZ 3.46Å; D18-I106 WeakPolarHBondContact O-CD1 3.36Å; D18-I106 WeakPolarHBondContact O-CG1 3.29Å; D18-C111 WeakPolarHBondContact OD2-CB 3.47Å; D18-C111 PolarHBondContact OD2-SG 3.18Å
19M98.7Very high97.9Very high1 Ų144.6 Ų44.61%0.00522%0.217CC..  trans-76.469.1179.9-62.3-178.4-157.100112L16 C17 V34 A37 T64 V65 L68 C104L16-M19 HydrophobicContact CD2-CE 4.04Å; C17-M19 VanDerWaalsContact C-N 3.29Å; C17-M19 PolarHBondContact O-N 3.1Å; M19-V34 HydrophobicContact SD-CG2 4.39Å; M19-A37 HydrophobicContact CE-CB 3.31Å; M19-A37 HydrophobicContact SD-CB 3.69Å; M19-T64 WeakPolarHBondContact O-CA 3.25Å; M19-V65 WeakPolarHBondContact O-CG2 3.44Å; M19-V65 PolarHBondContact O-N 2.9Å; M19-L68 HydrophobicContact CB-CD2 4.19Å; M19-L68 HydrophobicContact SD-CD1 3.71Å; M19-L68 HydrophobicContact SD-CD2 3.79Å; M19-L68 HydrophobicContact SD-CG 4.37Å; M19-C104 VanDerWaalsContact CE-C 3.4Å; M19-C104 HydrophobicContact CE-CB 3.57Å
20Q98.8Very high98.1Very high0 Ų043.1 Ų43.10%021%0.207CC..BIsolated β-bridgetrans-103.1157.3-168.2-61.9160.8-95.800114.1D18 K22 F23 E55 Q56 G62 P63D18-Q20 PolarHBondContact O-N 3.13Å; Q20-K22 PolarHBondContact O-N 3.33Å; Q20-F23 HydrophobicContact CB-CD2 4.01Å; Q20-F23 HydrophobicContact CB-CE2 4.4Å; Q20-F23 WeakPolarHBondContact O-CB 2.96Å; Q20-F23 PolarHBondContact O-N 3.49Å; Q20-F23 VanDerWaalsContact O-N 3.09Å; Q20-E55 HydrophobicContact CG-CB 4.39Å; Q20-E55 HydrophobicContact CG-CG 4.09Å; Q20-Q56 PolarHBondContact NE2-O 3.03Å; Q20-Q56 PolarHBondContact OE1-O 3.4Å; Q20-G62 PolarHBondContact NE2-O 3.39Å; Q20-P63 CarbonylContact C-O 3.6Å; Q20-P63 WeakPolarHBondContact CA-O 3.4Å; Q20-P63 WeakPolarHBondContact CB-O 3.46Å
21E98.5Very high98.3Very high64 Ų6439.1 Ų39.130%0.29920%0.198SC..G310 helixtrans-49.3-46.3-175-77.5-65.7155.900114.6F23 R24 P63 V65 P66E21-F23 PolarHBondContact O-N 3.43Å; E21-R24 WeakPolarHBondContact O-CB 3.31Å; E21-R24 VanDerWaalsContact O-CG 3.28Å; E21-R24 WeakPolarHBondContact O-CG 3.37Å; E21-R24 PolarHBondContact O-N 2.97Å; E21-R24 IonicContact OE1-CZ 3.04Å; E21-R24 IonicContact OE1-NE 3.39Å; E21-R24 IonicContact OE1-NH2 3.56Å; E21-R24 PolarHBondContact OE1-NH2 3.24Å; E21-R24 IonicContact OE2-CZ 3.59Å; E21-R24 IonicContact OE2-NE 2.85Å; E21-R24 PolarHBondContact OE2-NE 2.99Å; E21-R24 IonicContact OE2-NH2 2.74Å; E21-R24 PolarHBondContact OE2-NH2 3.26Å; E21-P63 HydrophobicContact CG-CG 4.16Å; E21-P63 PolarHBondContact N-O 3.3Å; E21-V65 HydrophobicContact CG-CG1 4.3Å; E21-P66 WeakPolarHBondContact OE1-CD 3.4Å
22K98.5Very high98.5Very high121 Ų12138 Ų3853%0.52619%0.192SC..G310 helixtrans-76.2-6.5-174.8-63.8-160-165.3172.60114.6Q20 G60 L61Q20-K22 PolarHBondContact O-N 3.33Å; K22-G60 WeakPolarHBondContact CD-O 3.44Å; K22-G60 WeakPolarHBondContact CE-O 3.31Å; K22-G60 PolarHBondContact NZ-O 2.89Å; K22-L61 HydrophobicContact CB-CD2 4.44Å; K22-L61 WeakPolarHBondContact CB-O 3.49Å; K22-L61 VanDerWaalsContact CG-O 3.31Å; K22-L61 WeakPolarHBondContact CG-O 3.43Å; K22-L61 PolarHBondContact N-O 3.36Å
23F98.5Very high98.5Very high27 Ų2738 Ų3812%0.11819%0.192CC..G310 helixtrans-82-20.1172.6-73.6-73.8000113.4Q20 E21 P25 N26 I27 F30 L61 I106 E107Q20-F23 HydrophobicContact CB-CD2 4.01Å; Q20-F23 HydrophobicContact CB-CE2 4.4Å; Q20-F23 WeakPolarHBondContact O-CB 2.96Å; Q20-F23 PolarHBondContact O-N 3.49Å; Q20-F23 VanDerWaalsContact O-N 3.09Å; E21-F23 PolarHBondContact O-N 3.43Å; F23-P25 VanDerWaalsContact C-CD 3.44Å; F23-P25 VanDerWaalsContact O-N 3.15Å; F23-N26 PolarHBondContact O-N 3.49Å; F23-I27 HydrophobicContact CB-CG1 3.86Å; F23-I27 HydrophobicContact CD1-CD1 4.38Å; F23-I27 HydrophobicContact CD1-CG1 4.28Å; F23-I27 HydrophobicContact CG-CG1 4.47Å; F23-I27 PolarHBondContact O-N 3.48Å; F23-I27 VanDerWaalsContact O-N 3.12Å; F23-F30 HydrophobicContact CB-CD2 4.42Å; F23-F30 HydrophobicContact CB-CE2 3.97Å; F23-L61 HydrophobicContact CE2-CB 4.37Å; F23-L61 HydrophobicContact CE2-CD1 3.87Å; F23-L61 HydrophobicContact CE2-CD2 4.24Å; F23-L61 HydrophobicContact CE2-CG 4.38Å; F23-L61 HydrophobicContact CZ-CD1 3.78Å; F23-L61 HydrophobicContact CZ-CD2 4.13Å; F23-L61 HydrophobicContact CZ-CG 4.49Å; F23-I106 HydrophobicContact CB-CD1 3.38Å; F23-I106 HydrophobicContact CD1-CD1 3.85Å; F23-I106 HydrophobicContact CD2-CD1 3.52Å; F23-I106 HydrophobicContact CE1-CD1 4.48Å; F23-I106 HydrophobicContact CE2-CD1 4.19Å; F23-I106 HydrophobicContact CG-CD1 3.32Å; F23-E107 HydrophobicContact CE1-CG 4.44Å
24R98Very high98.5Very high72 Ų7238.2 Ų38.227%0.27219%0.193SC..THydrogen-bonded Turntrans-40.9-51.9-178.9-76-179.7-170-91.44.8115.1E21 N26 F30 E67E21-R24 WeakPolarHBondContact O-CB 3.31Å; E21-R24 VanDerWaalsContact O-CG 3.28Å; E21-R24 WeakPolarHBondContact O-CG 3.37Å; E21-R24 PolarHBondContact O-N 2.97Å; E21-R24 IonicContact OE1-CZ 3.04Å; E21-R24 IonicContact OE1-NE 3.39Å; E21-R24 IonicContact OE1-NH2 3.56Å; E21-R24 PolarHBondContact OE1-NH2 3.24Å; E21-R24 IonicContact OE2-CZ 3.59Å; E21-R24 IonicContact OE2-NE 2.85Å; E21-R24 PolarHBondContact OE2-NE 2.99Å; E21-R24 IonicContact OE2-NH2 2.74Å; E21-R24 PolarHBondContact OE2-NH2 3.26Å; R24-N26 VanDerWaalsContact C-N 3.29Å; R24-N26 PolarHBondContact O-N 3.02Å; R24-F30 HydrophobicContact CB-CD1 4.21Å; R24-F30 HydrophobicContact CB-CE1 4.32Å; R24-F30 HydrophobicContact CG-CD1 3.64Å; R24-F30 HydrophobicContact CG-CE1 3.37Å; R24-F30 HydrophobicContact CG-CG 4.49Å; R24-F30 HydrophobicContact CG-CZ 4.03Å; R24-E67 IonicContact CZ-OE1 2.73Å; R24-E67 IonicContact CZ-OE2 3.65Å; R24-E67 IonicContact NH1-OE1 3.62Å; R24-E67 PolarHBondContact NH1-OE1 3.41Å; R24-E67 IonicContact NH1-OE2 3.47Å; R24-E67 VanDerWaalsContact NH2-CD 3.3Å; R24-E67 IonicContact NH2-OE1 2.71Å; R24-E67 PolarHBondContact NH2-OE1 3.48Å; R24-E67 IonicContact NH2-OE2 3.62Å; R24-E67 PolarHBondContact NH2-OE2 2.79Å
25P98.1Very high98.5Very high106 Ų10640.4 Ų40.469%0.68821%0.209SC*.THydrogen-bonded Turntrans-76.6-16.3-173.930.1-35.9000113.7F23F23-P25 VanDerWaalsContact C-CD 3.44Å; F23-P25 VanDerWaalsContact O-N 3.15Å
26N97.8Very high98.5Very high85 Ų8540.4 Ų40.446%0.45521%0.209SC..THydrogen-bonded Turntrans-109.3-20.3-167-67.5-53.3000113.1F23 R24 R136F23-N26 PolarHBondContact O-N 3.49Å; R24-N26 VanDerWaalsContact C-N 3.29Å; R24-N26 PolarHBondContact O-N 3.02Å; N26-R136 HydrophobicContact CB-CG 4.04Å; N26-R136 WeakPolarHBondContact O-CA 3.14Å; N26-R136 WeakPolarHBondContact O-CB 3.5Å; N26-R136 VanDerWaalsContact O-CG 3.29Å; N26-R136 WeakPolarHBondContact O-CG 3.29Å
27I98.6Very high98.5Very high10 Ų1040.4 Ų40.45%0.05121%0.209CC..SBendtrans-89.3130.8-179.4-64.7-65.7000110.8F23 Q29 F30 I106 E107 R136F23-I27 HydrophobicContact CB-CG1 3.86Å; F23-I27 HydrophobicContact CD1-CD1 4.38Å; F23-I27 HydrophobicContact CD1-CG1 4.28Å; F23-I27 HydrophobicContact CG-CG1 4.47Å; F23-I27 PolarHBondContact O-N 3.48Å; F23-I27 VanDerWaalsContact O-N 3.12Å; I27-Q29 PolarHBondContact O-N 2.93Å; I27-F30 HydrophobicContact CB-CB 3.99Å; I27-F30 HydrophobicContact CB-CD2 3.75Å; I27-F30 HydrophobicContact CB-CG 4.33Å; I27-F30 HydrophobicContact CG1-CD2 4.08Å; I27-F30 HydrophobicContact CG2-CB 4.08Å; I27-F30 HydrophobicContact CG2-CD2 3.94Å; I27-F30 PolarHBondContact O-N 3.26Å; I27-I106 HydrophobicContact CD1-CB 4.26Å; I27-I106 HydrophobicContact CD1-CD1 4.2Å; I27-I106 HydrophobicContact CD1-CG2 4.13Å; I27-I106 HydrophobicContact CG1-CD1 3.89Å; I27-I106 HydrophobicContact CG1-CG2 4.27Å; I27-I106 HydrophobicContact CG2-CG2 3.97Å; I27-E107 HydrophobicContact CD1-CG 3.83Å; I27-R136 HydrophobicContact CD1-CG 4.01Å
28F97.9Very high98.5Very high73 Ų7341.4 Ų41.432%0.3222%0.217SC..THydrogen-bonded Turntrans-61.6125.9174.9-174.7-100.5000110.7F30 S134 S135 Q138 T188F28-F30 PolarHBondContact O-N 3.2Å; F28-S134 PolarHBondContact O-OG 3.28Å; F28-S135 PolarHBondContact N-O 2.97Å; F28-S135 VanDerWaalsContact N-O 3.07Å; F28-Q138 HydrophobicContact CD1-CG 4.01Å; F28-Q138 HydrophobicContact CD2-CG 4.2Å; F28-Q138 VanDerWaalsContact CE1-CD 3.46Å; F28-Q138 HydrophobicContact CE1-CG 4.15Å; F28-Q138 HydrophobicContact CE2-CG 4.36Å; F28-Q138 HydrophobicContact CG-CG 4.01Å; F28-Q138 HydrophobicContact CZ-CG 4.34Å; F28-T188 WeakPolarHBondContact CE1-O 3.46Å
29Q98Very high98.5Very high79 Ų7943.3 Ų43.337%0.36922%0.224SC..THydrogen-bonded Turntrans5830.5178.8-63.4-68.6-19.900114.2I27 T31 N32 I33 T188I27-Q29 PolarHBondContact O-N 2.93Å; Q29-T31 VanDerWaalsContact C-N 3.31Å; Q29-T31 PolarHBondContact O-N 3.4Å; Q29-T31 VanDerWaalsContact O-N 3.15Å; Q29-N32 HydrophobicContact CB-CB 4.39Å; Q29-N32 PolarHBondContact O-N 2.87Å; Q29-N32 PolarHBondContact OE1-ND2 3.36Å; Q29-I33 HydrophobicContact CB-CG1 4.48Å; Q29-I33 VanDerWaalsContact O-CG1 3.3Å; Q29-I33 WeakPolarHBondContact O-CG1 3.19Å; Q29-I33 PolarHBondContact O-N 3.41Å; Q29-T188 HydrophobicContact CB-CG2 4.48Å
30F98.7Very high98.5Very high8 Ų843.3 Ų43.34%0.03522%0.224CC..Hα-helixtrans-47.1-47.9-175.5-174.7-93000114F23 R24 I27 F28 N32 I33 V34 V65 I106F23-F30 HydrophobicContact CB-CD2 4.42Å; F23-F30 HydrophobicContact CB-CE2 3.97Å; R24-F30 HydrophobicContact CB-CD1 4.21Å; R24-F30 HydrophobicContact CB-CE1 4.32Å; R24-F30 HydrophobicContact CG-CD1 3.64Å; R24-F30 HydrophobicContact CG-CE1 3.37Å; R24-F30 HydrophobicContact CG-CG 4.49Å; R24-F30 HydrophobicContact CG-CZ 4.03Å; I27-F30 HydrophobicContact CB-CB 3.99Å; I27-F30 HydrophobicContact CB-CD2 3.75Å; I27-F30 HydrophobicContact CB-CG 4.33Å; I27-F30 HydrophobicContact CG1-CD2 4.08Å; I27-F30 HydrophobicContact CG2-CB 4.08Å; I27-F30 HydrophobicContact CG2-CD2 3.94Å; I27-F30 PolarHBondContact O-N 3.26Å; F28-F30 PolarHBondContact O-N 3.2Å; F30-N32 VanDerWaalsContact C-N 3.34Å; F30-N32 PolarHBondContact O-N 3.44Å; F30-I33 WeakPolarHBondContact O-CB 3.16Å; F30-I33 PolarHBondContact O-N 2.9Å; F30-V34 HydrophobicContact CD1-CG2 3.98Å; F30-V34 HydrophobicContact CE1-CG2 3.56Å; F30-V34 HydrophobicContact CE2-CG2 4.21Å; F30-V34 HydrophobicContact CG-CG2 4.47Å; F30-V34 HydrophobicContact CZ-CG2 3.71Å; F30-V34 WeakPolarHBondContact O-CG2 3.45Å; F30-V34 PolarHBondContact O-N 3.27Å; F30-V65 HydrophobicContact CE1-CG1 3.84Å; F30-V65 HydrophobicContact CE1-CG2 4.35Å; F30-V65 HydrophobicContact CZ-CG1 3.73Å; F30-V65 HydrophobicContact CZ-CG2 4.3Å; F30-I106 HydrophobicContact CD2-CD1 4.49Å; F30-I106 HydrophobicContact CE2-CD1 3.97Å
31T98.5Very high98.5Very high103 Ų10343.5 Ų43.563%0.63223%0.225SC*.Hα-helixtrans-58.6-43.7179-56.90000112.5Q29 S35Q29-T31 VanDerWaalsContact C-N 3.31Å; Q29-T31 PolarHBondContact O-N 3.4Å; Q29-T31 VanDerWaalsContact O-N 3.15Å; T31-S35 WeakPolarHBondContact O-CB 3.43Å; T31-S35 PolarHBondContact O-N 3.38Å
32N98.6Very high98.5Very high46 Ų4645.3 Ų45.325%0.24623%0.234CC..Hα-helixtrans-71.1-37.7179.7-69.5-0.4000111.2Q29 F30 S35 N36 P186 D187 T188Q29-N32 HydrophobicContact CB-CB 4.39Å; Q29-N32 PolarHBondContact O-N 2.87Å; Q29-N32 PolarHBondContact OE1-ND2 3.36Å; F30-N32 VanDerWaalsContact C-N 3.34Å; F30-N32 PolarHBondContact O-N 3.44Å; N32-S35 PolarHBondContact O-N 3.17Å; N32-N36 WeakPolarHBondContact O-CB 3.42Å; N32-N36 PolarHBondContact O-N 3.49Å; N32-N36 PolarHBondContact O-ND2 3.02Å; N32-P186 HydrophobicContact CB-CB 3.74Å; N32-D187 PolarHBondContact ND2-O 3.49Å; N32-T188 HydrophobicContact CB-CG2 3.87Å
33I98.8Very high98.6Very high1 Ų139.6 Ų39.61%0.00521%0.209CC..Hα-helixtrans-60.3-48.1174.9-66.5-72.6000111Q29 F30 N36 A37 T188Q29-I33 HydrophobicContact CB-CG1 4.48Å; Q29-I33 VanDerWaalsContact O-CG1 3.3Å; Q29-I33 WeakPolarHBondContact O-CG1 3.19Å; Q29-I33 PolarHBondContact O-N 3.41Å; F30-I33 WeakPolarHBondContact O-CB 3.16Å; F30-I33 PolarHBondContact O-N 2.9Å; I33-N36 PolarHBondContact O-N 2.88Å; I33-A37 WeakPolarHBondContact O-CB 3.36Å; I33-A37 PolarHBondContact O-N 3.36Å; I33-T188 HydrophobicContact CD1-CG2 3.79Å; I33-T188 HydrophobicContact CG1-CG2 4.22Å
34V98.9Very high98.6Very high5 Ų538.3 Ų38.33%0.0320%0.203CC..Hα-helixtrans-63.6-41.6176171.60000110.9M19 F30 N36 A37 A38 V65 E67 L68M19-V34 HydrophobicContact SD-CG2 4.39Å; F30-V34 HydrophobicContact CD1-CG2 3.98Å; F30-V34 HydrophobicContact CE1-CG2 3.56Å; F30-V34 HydrophobicContact CE2-CG2 4.21Å; F30-V34 HydrophobicContact CG-CG2 4.47Å; F30-V34 HydrophobicContact CZ-CG2 3.71Å; F30-V34 WeakPolarHBondContact O-CG2 3.45Å; F30-V34 PolarHBondContact O-N 3.27Å; V34-N36 PolarHBondContact O-N 3.45Å; V34-A37 PolarHBondContact O-N 3.37Å; V34-A38 VanDerWaalsContact O-CB 3.32Å; V34-A38 WeakPolarHBondContact O-CB 3.48Å; V34-A38 PolarHBondContact O-N 3.1Å; V34-V65 HydrophobicContact CB-CG2 4.43Å; V34-V65 HydrophobicContact CG1-CG2 3.67Å; V34-V65 HydrophobicContact CG2-CG2 3.83Å; V34-E67 HydrophobicContact CG1-CB 4.24Å; V34-L68 HydrophobicContact CG1-CB 4.19Å; V34-L68 HydrophobicContact CG1-CD1 4.49Å
35S98.8Very high98.6Very high47 Ų4742.1 Ų42.133%0.32922%0.218SC..Hα-helixtrans-60.7-43.8177.1-173.30000112.2T31 N32 A38 R39T31-S35 WeakPolarHBondContact O-CB 3.43Å; T31-S35 PolarHBondContact O-N 3.38Å; N32-S35 PolarHBondContact O-N 3.17Å; S35-A38 PolarHBondContact O-N 2.95Å; S35-R39 WeakPolarHBondContact O-CG 3.38Å; S35-R39 PolarHBondContact O-N 2.98Å
36N98.9Very high98.6Very high0 Ų038.8 Ų38.80%019%0.194CC..Hα-helixtrans-65.7-45.6176.4-74-19.9000111.5N32 I33 V34 A38 R39 V40 D131 A132 S185 P186N32-N36 WeakPolarHBondContact O-CB 3.42Å; N32-N36 PolarHBondContact O-N 3.49Å; N32-N36 PolarHBondContact O-ND2 3.02Å; I33-N36 PolarHBondContact O-N 2.88Å; V34-N36 PolarHBondContact O-N 3.45Å; N36-A38 VanDerWaalsContact C-N 3.32Å; N36-A38 PolarHBondContact O-N 3.28Å; N36-R39 WeakPolarHBondContact O-CB 3.4Å; N36-R39 PolarHBondContact O-N 3.27Å; N36-R39 VanDerWaalsContact O-N 3.16Å; N36-V40 PolarHBondContact O-N 2.85Å; N36-V40 VanDerWaalsContact O-N 3.17Å; N36-D131 WeakPolarHBondContact CB-O 3.27Å; N36-D131 PolarHBondContact ND2-O 2.73Å; N36-A132 HydrophobicContact CB-CB 3.98Å; N36-S185 WeakPolarHBondContact OD1-CB 3.21Å; N36-P186 PolarHBondContact ND2-O 3.08Å; N36-P186 VanDerWaalsContact ND2-O 3.11Å; N36-P186 WeakPolarHBondContact OD1-CD 3.29Å
37A98.9Very high98.6Very high0 Ų035.8 Ų35.80%018%0.177CC..Hα-helixtrans-60.5-39.1174.900000113.1M19 I33 V34 R39 V40 L41 L68 C104 A132M19-A37 HydrophobicContact CE-CB 3.31Å; M19-A37 HydrophobicContact SD-CB 3.69Å; I33-A37 WeakPolarHBondContact O-CB 3.36Å; I33-A37 PolarHBondContact O-N 3.36Å; V34-A37 PolarHBondContact O-N 3.37Å; A37-R39 VanDerWaalsContact C-N 3.29Å; A37-R39 PolarHBondContact O-N 3.36Å; A37-V40 PolarHBondContact O-N 3.28Å; A37-V40 VanDerWaalsContact O-N 3.16Å; A37-L41 PolarHBondContact O-N 3.16Å; A37-L68 HydrophobicContact CB-CD1 3.73Å; A37-C104 HydrophobicContact CB-CB 3.94Å; A37-A132 HydrophobicContact CB-CB 4.16Å
38A98.9Very high98.6Very high21 Ų2138.2 Ų38.217%0.17421%0.205CC..Hα-helixtrans-62.6-36.2176.800000111.9V34 S35 N36 L41 Q42 L68V34-A38 VanDerWaalsContact O-CB 3.32Å; V34-A38 WeakPolarHBondContact O-CB 3.48Å; V34-A38 PolarHBondContact O-N 3.1Å; S35-A38 PolarHBondContact O-N 2.95Å; N36-A38 VanDerWaalsContact C-N 3.32Å; N36-A38 PolarHBondContact O-N 3.28Å; A38-L41 PolarHBondContact O-N 3.47Å; A38-Q42 WeakPolarHBondContact O-CB 3.39Å; A38-Q42 PolarHBondContact O-N 2.84Å; A38-L68 HydrophobicContact CB-CD1 4.34Å
39R98.8Very high98.6Very high41 Ų4135 Ų3516%0.15519%0.191CC..Hα-helixtrans-64.8-42.1172.9-67.1177.7-174.6-162.32.2111.7S35 N36 A37 Q42 A43 T158 Q183 P184S35-R39 WeakPolarHBondContact O-CG 3.38Å; S35-R39 PolarHBondContact O-N 2.98Å; N36-R39 WeakPolarHBondContact O-CB 3.4Å; N36-R39 PolarHBondContact O-N 3.27Å; N36-R39 VanDerWaalsContact O-N 3.16Å; A37-R39 VanDerWaalsContact C-N 3.29Å; A37-R39 PolarHBondContact O-N 3.36Å; R39-Q42 PolarHBondContact O-N 3.08Å; R39-A43 WeakPolarHBondContact O-CB 3.4Å; R39-A43 PolarHBondContact O-N 2.97Å; R39-T158 HydrophobicContact CB-CG2 3.93Å; R39-Q183 PolarHBondContact NH1-O 3.16Å; R39-P184 PolarHBondContact NH1-O 3.49Å; R39-P184 PolarHBondContact NH2-O 3.13Å
40V98.9Very high98.7Very high1 Ų133.2 Ų33.21%0.00619%0.186CC..Hα-helixtrans-62.8-45.3174.9-176.30000110.6L14 N36 A37 Q42 A43 S44 I102 V129 T158 L162L14-V40 HydrophobicContact CD1-CG1 3.69Å; L14-V40 HydrophobicContact CD2-CG1 4.16Å; N36-V40 PolarHBondContact O-N 2.85Å; N36-V40 VanDerWaalsContact O-N 3.17Å; A37-V40 PolarHBondContact O-N 3.28Å; A37-V40 VanDerWaalsContact O-N 3.16Å; V40-Q42 PolarHBondContact O-N 2.86Å; V40-A43 PolarHBondContact O-N 3.11Å; V40-S44 WeakPolarHBondContact O-CB 3.44Å; V40-S44 PolarHBondContact O-N 3.38Å; V40-S44 PolarHBondContact O-OG 3.31Å; V40-S44 VanDerWaalsContact O-OG 3.13Å; V40-I102 HydrophobicContact CG1-CG2 4.11Å; V40-V129 HydrophobicContact CG2-CG1 4.17Å; V40-T158 HydrophobicContact CG2-CG2 3.85Å; V40-L162 HydrophobicContact CG2-CD1 4.42Å
41L98.9Very high98.7Very high4 Ų433.6 Ų33.62%0.02119%0.189CC..Hα-helixtrans-59-45.7175.3173.560.4000112L14 L16 A37 A38 A43 S44 R45 T51 L68 A70 L73L14-L41 HydrophobicContact CD2-CB 4.15Å; L14-L41 HydrophobicContact CD2-CD1 4.24Å; L16-L41 HydrophobicContact CD1-CB 4.46Å; L16-L41 HydrophobicContact CD1-CD1 4.15Å; L16-L41 HydrophobicContact CD1-CD2 4.05Å; L16-L41 HydrophobicContact CD1-CG 4.45Å; A37-L41 PolarHBondContact O-N 3.16Å; A38-L41 PolarHBondContact O-N 3.47Å; L41-A43 VanDerWaalsContact C-N 3.34Å; L41-A43 PolarHBondContact O-N 3.18Å; L41-S44 PolarHBondContact O-N 3.34Å; L41-R45 HydrophobicContact CD1-CG 4.36Å; L41-R45 WeakPolarHBondContact O-CG 3.16Å; L41-R45 PolarHBondContact O-N 3.3Å; L41-T51 HydrophobicContact CD1-CG2 4.01Å; L41-L68 WeakPolarHBondContact CD2-O 3.44Å; L41-A70 HydrophobicContact CD2-CB 3.98Å; L41-L73 HydrophobicContact CD1-CD1 4.18Å
42Q98.7Very high98.7Very high102 Ų10228.7 Ų28.748%0.47716%0.159SC..Hα-helixtrans-63.2-41.1178.6-171.8173.51.700111.7A38 R39 V40 R45 I46 L180A38-Q42 WeakPolarHBondContact O-CB 3.39Å; A38-Q42 PolarHBondContact O-N 2.84Å; R39-Q42 PolarHBondContact O-N 3.08Å; V40-Q42 PolarHBondContact O-N 2.86Å; Q42-R45 PolarHBondContact O-N 2.93Å; Q42-I46 HydrophobicContact CG-CD1 4.26Å; Q42-I46 WeakPolarHBondContact O-CG1 3.47Å; Q42-I46 PolarHBondContact O-N 3.34Å; Q42-I46 VanDerWaalsContact O-N 3.08Å; Q42-L180 HydrophobicContact CB-CD1 4.12Å; Q42-L180 HydrophobicContact CB-CD2 4.43Å; Q42-L180 HydrophobicContact CG-CD1 4.07Å; Q42-L180 HydrophobicContact CG-CD2 3.84Å; Q42-L180 VanDerWaalsContact OE1-CD2 3.27Å
43A98.7Very high98.7Very high0 Ų026.7 Ų26.70%015%0.149CC..Hα-helixtrans-63-44.6173.900000112.1R39 V40 L41 R45 I46 L47 L162 I177 L180R39-A43 WeakPolarHBondContact O-CB 3.4Å; R39-A43 PolarHBondContact O-N 2.97Å; V40-A43 PolarHBondContact O-N 3.11Å; L41-A43 VanDerWaalsContact C-N 3.34Å; L41-A43 PolarHBondContact O-N 3.18Å; A43-R45 VanDerWaalsContact C-N 3.28Å; A43-R45 PolarHBondContact O-N 2.94Å; A43-I46 PolarHBondContact O-N 3.19Å; A43-I46 VanDerWaalsContact O-N 3.16Å; A43-L47 WeakPolarHBondContact O-CB 3.16Å; A43-L47 VanDerWaalsContact O-CG 3.29Å; A43-L47 WeakPolarHBondContact O-CG 3.37Å; A43-L47 PolarHBondContact O-N 2.9Å; A43-L162 HydrophobicContact CB-CD1 3.54Å; A43-L162 HydrophobicContact CB-CD2 4.03Å; A43-L162 HydrophobicContact CB-CG 3.55Å; A43-I177 HydrophobicContact CB-CD1 3.74Å; A43-L180 HydrophobicContact CB-CD1 3.89Å
44S98.7Very high98.7Very high1 Ų126.7 Ų26.71%0.00715%0.148CC..Hα-helixtrans-56.9-42.6175.6-68.50000111.6L14 V40 L41 L47 G48 I49L14-S44 WeakPolarHBondContact CD2-OG 3.34Å; V40-S44 WeakPolarHBondContact O-CB 3.44Å; V40-S44 PolarHBondContact O-N 3.38Å; V40-S44 PolarHBondContact O-OG 3.31Å; V40-S44 VanDerWaalsContact O-OG 3.13Å; L41-S44 PolarHBondContact O-N 3.34Å; S44-L47 CarbonylContact O-C 3.58Å; S44-L47 PolarHBondContact O-N 3.27Å; S44-G48 PolarHBondContact O-N 3.2Å; S44-I49 PolarHBondContact O-N 3.16Å
45R98.5Very high98.7Very high152 Ų15227.7 Ų27.757%0.57415%0.153SC*.Hα-helixtrans-62.7-44.7175.2-69.717772.1-177.92.6112.8L41 Q42 A43 L47 G48L41-R45 HydrophobicContact CD1-CG 4.36Å; L41-R45 WeakPolarHBondContact O-CG 3.16Å; L41-R45 PolarHBondContact O-N 3.3Å; Q42-R45 PolarHBondContact O-N 2.93Å; A43-R45 VanDerWaalsContact C-N 3.28Å; A43-R45 PolarHBondContact O-N 2.94Å; R45-L47 VanDerWaalsContact C-N 3.25Å; R45-L47 PolarHBondContact O-N 3.42Å; R45-G48 PolarHBondContact O-N 2.82Å
46I98.5Very high98.7Very high36 Ų3626.5 Ų26.519%0.18514%0.142CC..Hα-helixtrans-61.9-36.3177.3-70.8161.3000111.1Q42 A43 N173 E176 I177 L180Q42-I46 HydrophobicContact CG-CD1 4.26Å; Q42-I46 WeakPolarHBondContact O-CG1 3.47Å; Q42-I46 PolarHBondContact O-N 3.34Å; Q42-I46 VanDerWaalsContact O-N 3.08Å; A43-I46 PolarHBondContact O-N 3.19Å; A43-I46 VanDerWaalsContact O-N 3.16Å; I46-N173 HydrophobicContact CG2-CB 3.76Å; I46-N173 PolarHBondContact O-ND2 2.8Å; I46-E176 HydrophobicContact CD1-CB 4.04Å; I46-E176 HydrophobicContact CG2-CB 4.04Å; I46-E176 WeakPolarHBondContact CG2-OE2 3.28Å; I46-I177 HydrophobicContact CB-CD1 4.21Å; I46-I177 HydrophobicContact CD1-CD1 4.2Å; I46-I177 HydrophobicContact CG2-CD1 3.98Å; I46-I177 HydrophobicContact CG2-CG1 4.39Å; I46-L180 HydrophobicContact CD1-CD1 3.97Å; I46-L180 HydrophobicContact CD1-CG 4.48Å
47L98.4Very high98.7Very high21 Ų2132.5 Ų32.511%0.1117%0.166CC..Hα-helixtrans-93.2-2.4-174.8-63170.8000113.7T9 A43 S44 R45 I49 L165 V166 N173 I177T9-L47 HydrophobicContact CG2-CB 4.06Å; T9-L47 HydrophobicContact CG2-CD1 4.25Å; T9-L47 HydrophobicContact CG2-CD2 4.41Å; T9-L47 HydrophobicContact CG2-CG 4.47Å; A43-L47 WeakPolarHBondContact O-CB 3.16Å; A43-L47 VanDerWaalsContact O-CG 3.29Å; A43-L47 WeakPolarHBondContact O-CG 3.37Å; A43-L47 PolarHBondContact O-N 2.9Å; S44-L47 CarbonylContact O-C 3.58Å; S44-L47 PolarHBondContact O-N 3.27Å; R45-L47 VanDerWaalsContact C-N 3.25Å; R45-L47 PolarHBondContact O-N 3.42Å; L47-I49 VanDerWaalsContact C-N 3.32Å; L47-I49 HydrophobicContact CB-CD1 4.16Å; L47-I49 HydrophobicContact CB-CG1 4.13Å; L47-I49 HydrophobicContact CD1-CD1 4.39Å; L47-L165 HydrophobicContact CD1-CB 3.72Å; L47-L165 HydrophobicContact CD1-CD1 3.88Å; L47-L165 HydrophobicContact CD1-CG 4.4Å; L47-V166 HydrophobicContact CD2-CG1 3.97Å; L47-N173 HydrophobicContact CD2-CB 4.11Å; L47-I177 HydrophobicContact CD1-CD1 4.03Å; L47-I177 HydrophobicContact CD2-CD1 4.44Å; L47-I177 HydrophobicContact CD2-CG1 4.37Å; L47-I177 HydrophobicContact CG-CD1 4.08Å
48G97.9Very high98.7Very high61 Ų6134.2 Ų34.263%0.62918%0.177SC*.THydrogen-bonded Turntrans7124.2-178.600000114.3S44 R45S44-G48 PolarHBondContact O-N 3.2Å; R45-G48 PolarHBondContact O-N 2.82Å
49I98.6Very high98.6Very high7 Ų742.4 Ų42.44%0.03621%0.208CC..  trans-80.3124177.1-61.9173000108.6T9 A12 S44 L47 L165T9-I49 HydrophobicContact CG2-CD1 4.31Å; A12-I49 HydrophobicContact CB-CG2 4.2Å; S44-I49 PolarHBondContact O-N 3.16Å; L47-I49 VanDerWaalsContact C-N 3.32Å; L47-I49 HydrophobicContact CB-CD1 4.16Å; L47-I49 HydrophobicContact CB-CG1 4.13Å; L47-I49 HydrophobicContact CD1-CD1 4.39Å; I49-L165 HydrophobicContact CD1-CD1 3.63Å; I49-L165 HydrophobicContact CD1-CD2 3.8Å; I49-L165 HydrophobicContact CD1-CG 4.32Å
50P98.4Very high98.6Very high41 Ų4141.4 Ų41.427%0.26621%0.21SC..  trans-63.4151.3177.627.6-35000111.3A12 V13 L14 L95A12-P50 WeakPolarHBondContact O-CD 3.45Å; V13-P50 HydrophobicContact CB-CG 4.18Å; V13-P50 HydrophobicContact CG2-CG 4.32Å; L14-P50 PolarHBondContact N-O 3.15Å; P50-L95 HydrophobicContact CB-CD1 3.7Å; P50-L95 HydrophobicContact CB-CD2 3.56Å; P50-L95 HydrophobicContact CB-CG 4.22Å; P50-L95 HydrophobicContact CG-CD1 4.06Å; P50-L95 HydrophobicContact CG-CD2 4.13Å
51T98.8Very high98.6Very high16 Ų1643.4 Ų43.410%0.09822%0.221CC..EExtended strand (participates in β ladder)trans-133.3130.7-177.1-55.50000111.3L14 L16 L41 L73L14-T51 HydrophobicContact CB-CG2 4.01Å; L14-T51 HydrophobicContact CD2-CG2 3.8Å; L14-T51 HydrophobicContact CG-CG2 3.85Å; L14-T51 CarbonylContact O-C 3.56Å; L14-T51 VanDerWaalsContact O-CA 3.27Å; L14-T51 WeakPolarHBondContact O-CA 3.39Å; L16-T51 HydrophobicContact CD1-CG2 3.71Å; L16-T51 HydrophobicContact CG-CG2 3.91Å; L41-T51 HydrophobicContact CD1-CG2 4.01Å; T51-L73 HydrophobicContact CG2-CD1 3.58Å
52I98.9Very high98.6Very high0 Ų043.8 Ų43.80%023%0.226CC..EExtended strand (participates in β ladder)trans-108.4132.1175.5-62.7176.6000108.5V13 L14 F15 L16 V88 E91 L92 L95V13-I52 HydrophobicContact CG2-CD1 3.99Å; V13-I52 HydrophobicContact CG2-CG1 4.06Å; L14-I52 PolarHBondContact O-N 3.41Å; F15-I52 WeakPolarHBondContact CA-O 3.47Å; F15-I52 HydrophobicContact CD1-CB 4.44Å; F15-I52 HydrophobicContact CD1-CG2 4.44Å; F15-I52 HydrophobicContact CE1-CD1 4.28Å; F15-I52 HydrophobicContact CE1-CG2 4.41Å; F15-I52 HydrophobicContact CE2-CD1 4.46Å; F15-I52 HydrophobicContact CZ-CD1 4.02Å; L16-I52 PolarHBondContact N-O 3.09Å; I52-V88 HydrophobicContact CD1-CG1 4.23Å; I52-V88 HydrophobicContact CG2-CG1 4.08Å; I52-V88 HydrophobicContact CG2-CG2 3.87Å; I52-E91 HydrophobicContact CD1-CB 4.5Å; I52-E91 HydrophobicContact CD1-CG 4.28Å; I52-E91 HydrophobicContact CG1-CG 4.3Å; I52-L92 HydrophobicContact CD1-CD2 3.64Å; I52-L92 HydrophobicContact CD1-CG 3.84Å; I52-L95 HydrophobicContact CD1-CD1 4.32Å; I52-L95 HydrophobicContact CG1-CD1 4.47Å
53L98.9Very high98.5Very high4 Ų442.6 Ų42.62%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-119.2132.5179.5174.766.4000109.7L16 T64 A70 L73 A75 H76L16-L53 HydrophobicContact CB-CD1 3.7Å; L53-T64 HydrophobicContact CD1-CG2 4.14Å; L53-T64 HydrophobicContact CD2-CG2 4.44Å; L53-A70 HydrophobicContact CD2-CB 4.08Å; L53-L73 HydrophobicContact CB-CB 4.33Å; L53-L73 HydrophobicContact CB-CD1 4.27Å; L53-L73 HydrophobicContact CD2-CB 4.23Å; L53-A75 HydrophobicContact CD2-CB 3.83Å; L53-A75 HydrophobicContact CG-CB 4.05Å; L53-H76 PolarHBondContact O-N 3.38Å
54T98.9Very high98.6Very high0 Ų043.5 Ų43.50%023%0.233CC..EExtended strand (participates in β ladder)trans-119.1155.3170.562.40000112.2L16 D18 H76 K78 M83 V88L16-T54 PolarHBondContact O-N 3.39Å; L16-T54 VanDerWaalsContact O-N 3.12Å; D18-T54 WeakPolarHBondContact CA-O 3.45Å; D18-T54 PolarHBondContact N-O 3.17Å; D18-T54 VanDerWaalsContact N-O 3.17Å; D18-T54 VanDerWaalsContact OD1-C 3.31Å; D18-T54 WeakPolarHBondContact OD1-CB 3.28Å; D18-T54 PolarHBondContact OD1-OG1 3.37Å; T54-H76 VanDerWaalsContact CA-O 3.29Å; T54-H76 WeakPolarHBondContact CA-O 3.46Å; T54-H76 HydrophobicContact CG2-CB 4.2Å; T54-K78 HydrophobicContact CG2-CD 4.16Å; T54-K78 WeakPolarHBondContact OG1-CE 3.45Å; T54-M83 HydrophobicContact CG2-CB 3.88Å; T54-M83 HydrophobicContact CG2-CE 3.48Å; T54-M83 VanDerWaalsContact CG2-CE 3.48Å; T54-M83 HydrophobicContact CG2-CG 3.85Å; T54-M83 HydrophobicContact CG2-SD 4.49Å; T54-M83 VanDerWaalsContact OG1-CE 3.32Å; T54-M83 WeakPolarHBondContact OG1-CE 3.17Å; T54-M83 WeakPolarHBondContact OG1-CG 3.32Å; T54-V88 HydrophobicContact CG2-CG2 4.12Å
55E98.9Very high98.6Very high27 Ų2743.5 Ų43.513%0.12623%0.233CC..EExtended strand (participates in β ladder)trans-128.2122.8169.7-72.4179.1168.900110Q20 Y57 P58 T64 A75 H76 A77 K78Q20-E55 HydrophobicContact CG-CB 4.39Å; Q20-E55 HydrophobicContact CG-CG 4.09Å; E55-Y57 PolarHBondContact O-N 3.16Å; E55-P58 HydrophobicContact CB-CB 4.09Å; E55-P58 HydrophobicContact CB-CG 4.15Å; E55-P58 WeakPolarHBondContact OE2-CB 3.45Å; E55-T64 WeakPolarHBondContact CG-OG1 3.37Å; E55-T64 WeakPolarHBondContact OE1-CB 3.47Å; E55-T64 PolarHBondContact OE1-N 3.12Å; E55-T64 PolarHBondContact OE1-OG1 2.89Å; E55-A75 HydrophobicContact CG-CB 3.9Å; E55-H76 PolarHBondContact N-O 3.46Å; E55-A77 CarbonylContact O-C 3.52Å; E55-A77 WeakPolarHBondContact O-CA 3.4Å; E55-K78 PolarHBondContact O-N 2.78Å
56Q98.9Very high98.6Very high21 Ų2140.9 Ų40.910%0.09824%0.235CC..EExtended strand (participates in β ladder)trans-76.6119.2172.2-177.465.619.200109.3D18 Q20 L61 K78 T79 S80D18-Q56 HydrophobicContact CB-CB 4.17Å; D18-Q56 PolarHBondContact OD1-N 2.81Å; Q20-Q56 PolarHBondContact NE2-O 3.03Å; Q20-Q56 PolarHBondContact OE1-O 3.4Å; Q56-L61 HydrophobicContact CB-CD1 4.03Å; Q56-L61 HydrophobicContact CG-CD1 3.77Å; Q56-L61 WeakPolarHBondContact O-CB 3.49Å; Q56-L61 VanDerWaalsContact O-CD1 3.25Å; Q56-L61 WeakPolarHBondContact O-CD1 3.49Å; Q56-K78 CarbonylContact C-O 3.58Å; Q56-K78 WeakPolarHBondContact CA-O 3.37Å; Q56-T79 VanDerWaalsContact NE2-C 3.33Å; Q56-T79 PolarHBondContact NE2-O 3.45Å; Q56-S80 PolarHBondContact OE1-O 2.78Å
57Y98.6Very high98.5Very high127 Ų12744.4 Ų44.450%0.49825%0.251SS..SBendtrans38.261.3174.2-177.6-128.3000113.8E55 K59 G60 L61 K78E55-Y57 PolarHBondContact O-N 3.16Å; Y57-K59 HydrophobicContact CE2-CB 4.05Å; Y57-K59 PolarHBondContact O-N 3.13Å; Y57-K59 VanDerWaalsContact O-N 3.09Å; Y57-G60 PolarHBondContact O-N 2.9Å; Y57-L61 PolarHBondContact O-N 2.9Å; Y57-K78 PolarHBondContact N-O 3.41Å
58P98.3Very high98.6Very high35 Ų3543.5 Ų43.523%0.22725%0.246CC..Hα-helixtrans-61.8-26.5-168.820.5-32.4000114.1E55 G60 G62 A77E55-P58 HydrophobicContact CB-CB 4.09Å; E55-P58 HydrophobicContact CB-CG 4.15Å; E55-P58 WeakPolarHBondContact OE2-CB 3.45Å; P58-G60 PolarHBondContact O-N 2.87Å; P58-G62 WeakPolarHBondContact CA-O 3.27Å; P58-G62 CarbonylContact O-C 3.6Å; P58-G62 VanDerWaalsContact O-CA 3.25Å; P58-G62 WeakPolarHBondContact O-CA 3.27Å; P58-G62 PolarHBondContact O-N 2.99Å; P58-A77 HydrophobicContact CG-CB 3.84Å
59K98.1Very high98.6Very high194 Ų19442.5 Ų42.584%0.84324%0.236SC*.Hα-helixtrans-56.2-38.3171.2-68.9-176.7179.8178.10112.3Y57Y57-K59 HydrophobicContact CE2-CB 4.05Å; Y57-K59 PolarHBondContact O-N 3.13Å; Y57-K59 VanDerWaalsContact O-N 3.09Å
60G98.1Very high98.5Very high19 Ų1942.4 Ų42.420%0.19624%0.236CC..Hα-helixtrans-96.3-32.7-179.200000114.2K22 Y57 P58K22-G60 WeakPolarHBondContact CD-O 3.44Å; K22-G60 WeakPolarHBondContact CE-O 3.31Å; K22-G60 PolarHBondContact NZ-O 2.89Å; Y57-G60 PolarHBondContact O-N 2.9Å; P58-G60 PolarHBondContact O-N 2.87Å
61L98.4Very high98.5Very high44 Ų4444.6 Ų44.623%0.2327%0.266CS..Hα-helixtrans-104.5-2.3-173.5-69.3169000114.3K22 F23 Q56 Y57K22-L61 HydrophobicContact CB-CD2 4.44Å; K22-L61 WeakPolarHBondContact CB-O 3.49Å; K22-L61 VanDerWaalsContact CG-O 3.31Å; K22-L61 WeakPolarHBondContact CG-O 3.43Å; K22-L61 PolarHBondContact N-O 3.36Å; F23-L61 HydrophobicContact CE2-CB 4.37Å; F23-L61 HydrophobicContact CE2-CD1 3.87Å; F23-L61 HydrophobicContact CE2-CD2 4.24Å; F23-L61 HydrophobicContact CE2-CG 4.38Å; F23-L61 HydrophobicContact CZ-CD1 3.78Å; F23-L61 HydrophobicContact CZ-CD2 4.13Å; F23-L61 HydrophobicContact CZ-CG 4.49Å; Q56-L61 HydrophobicContact CB-CD1 4.03Å; Q56-L61 HydrophobicContact CG-CD1 3.77Å; Q56-L61 WeakPolarHBondContact O-CB 3.49Å; Q56-L61 VanDerWaalsContact O-CD1 3.25Å; Q56-L61 WeakPolarHBondContact O-CD1 3.49Å; Y57-L61 PolarHBondContact O-N 2.9Å
62G98.4Very high98.3Very high12 Ų1248.4 Ų48.412%0.12428%0.283CS..  trans80.2174.2-177.900000112.8Q20 P58Q20-G62 PolarHBondContact NE2-O 3.39Å; P58-G62 WeakPolarHBondContact CA-O 3.27Å; P58-G62 CarbonylContact O-C 3.6Å; P58-G62 VanDerWaalsContact O-CA 3.25Å; P58-G62 WeakPolarHBondContact O-CA 3.27Å; P58-G62 PolarHBondContact O-N 2.99Å
63P98.6Very high98.3Very high76 Ų7650.3 Ų50.349%0.49429%0.293SS..PPolyproline II helixtrans-75.8170176.434.4-36.3000111.2Q20 E21Q20-P63 CarbonylContact C-O 3.6Å; Q20-P63 WeakPolarHBondContact CA-O 3.4Å; Q20-P63 WeakPolarHBondContact CB-O 3.46Å; E21-P63 HydrophobicContact CG-CG 4.16Å; E21-P63 PolarHBondContact N-O 3.3Å
64T98.8Very high98.2Very high20 Ų2055.6 Ų55.612%0.12333%0.325CS..BIsolated β-bridgetrans-54.5139.3165.5-590000110.5M19 L53 E55 L68 A70M19-T64 WeakPolarHBondContact O-CA 3.25Å; L53-T64 HydrophobicContact CD1-CG2 4.14Å; L53-T64 HydrophobicContact CD2-CG2 4.44Å; E55-T64 WeakPolarHBondContact CG-OG1 3.37Å; E55-T64 WeakPolarHBondContact OE1-CB 3.47Å; E55-T64 PolarHBondContact OE1-N 3.12Å; E55-T64 PolarHBondContact OE1-OG1 2.89Å; T64-L68 HydrophobicContact CG2-CB 4.4Å; T64-L68 HydrophobicContact CG2-CD2 3.61Å; T64-A70 HydrophobicContact CG2-CB 4.45Å
65V98.8Very high98.2Very high1 Ų157.3 Ų57.31%0.00634%0.339CS..PPolyproline II helixtrans-67.4137-177.7-62.90000112.2M19 E21 F30 V34 E67 L68M19-V65 WeakPolarHBondContact O-CG2 3.44Å; M19-V65 PolarHBondContact O-N 2.9Å; E21-V65 HydrophobicContact CG-CG1 4.3Å; F30-V65 HydrophobicContact CE1-CG1 3.84Å; F30-V65 HydrophobicContact CE1-CG2 4.35Å; F30-V65 HydrophobicContact CZ-CG1 3.73Å; F30-V65 HydrophobicContact CZ-CG2 4.3Å; V34-V65 HydrophobicContact CB-CG2 4.43Å; V34-V65 HydrophobicContact CG1-CG2 3.67Å; V34-V65 HydrophobicContact CG2-CG2 3.83Å; V65-E67 VanDerWaalsContact C-N 3.28Å; V65-E67 WeakPolarHBondContact CB-OE2 3.32Å; V65-E67 PolarHBondContact O-N 2.99Å; V65-L68 HydrophobicContact CG2-CB 4.16Å; V65-L68 WeakPolarHBondContact O-CB 3.32Å; V65-L68 PolarHBondContact O-N 2.88Å
66P98.5Very high98.2Very high97 Ų9757.5 Ų57.563%0.6334%0.34SS*.G310 helixtrans-65-29.9-175.325.1-34.1000113.3E21 L68 G69E21-P66 WeakPolarHBondContact OE1-CD 3.4Å; P66-L68 PolarHBondContact O-N 3.02Å; P66-L68 VanDerWaalsContact O-N 3.17Å; P66-G69 PolarHBondContact O-N 3.05Å
67E98.1Very high98.1Very high109 Ų10959.5 Ų59.551%0.50936%0.361SS..G310 helixtrans-65.7-16.2179.9-5491.9144.900112.8R24 V34 V65 G69R24-E67 IonicContact CZ-OE1 2.73Å; R24-E67 IonicContact CZ-OE2 3.65Å; R24-E67 IonicContact NH1-OE1 3.62Å; R24-E67 PolarHBondContact NH1-OE1 3.41Å; R24-E67 IonicContact NH1-OE2 3.47Å; R24-E67 VanDerWaalsContact NH2-CD 3.3Å; R24-E67 IonicContact NH2-OE1 2.71Å; R24-E67 PolarHBondContact NH2-OE1 3.48Å; R24-E67 IonicContact NH2-OE2 3.62Å; R24-E67 PolarHBondContact NH2-OE2 2.79Å; V34-E67 HydrophobicContact CG1-CB 4.24Å; V65-E67 VanDerWaalsContact C-N 3.28Å; V65-E67 WeakPolarHBondContact CB-OE2 3.32Å; V65-E67 PolarHBondContact O-N 2.99Å; E67-G69 PolarHBondContact O-N 3.42Å
68L98.6Very high98.2Very high2 Ų254 Ų541%0.0134%0.339CS..G310 helixtrans-66.4-25.2171.5-17357.5000111.9L16 M19 V34 A37 A38 L41 T64 V65 P66 A70L16-L68 HydrophobicContact CD1-CD2 4.1Å; L16-L68 HydrophobicContact CD1-CG 4.48Å; L16-L68 HydrophobicContact CD2-CD1 4.48Å; M19-L68 HydrophobicContact CB-CD2 4.19Å; M19-L68 HydrophobicContact SD-CD1 3.71Å; M19-L68 HydrophobicContact SD-CD2 3.79Å; M19-L68 HydrophobicContact SD-CG 4.37Å; V34-L68 HydrophobicContact CG1-CB 4.19Å; V34-L68 HydrophobicContact CG1-CD1 4.49Å; A37-L68 HydrophobicContact CB-CD1 3.73Å; A38-L68 HydrophobicContact CB-CD1 4.34Å; L41-L68 WeakPolarHBondContact CD2-O 3.44Å; T64-L68 HydrophobicContact CG2-CB 4.4Å; T64-L68 HydrophobicContact CG2-CD2 3.61Å; V65-L68 HydrophobicContact CG2-CB 4.16Å; V65-L68 WeakPolarHBondContact O-CB 3.32Å; V65-L68 PolarHBondContact O-N 2.88Å; P66-L68 PolarHBondContact O-N 3.02Å; P66-L68 VanDerWaalsContact O-N 3.17Å; L68-A70 VanDerWaalsContact C-N 3.26Å; L68-A70 HydrophobicContact CB-CB 4.41Å; L68-A70 HydrophobicContact CD2-CB 3.92Å; L68-A70 HydrophobicContact CG-CB 3.97Å; L68-A70 PolarHBondContact O-N 2.89Å
69G98.3Very high98.2Very high40 Ų4057.5 Ų57.541%0.41236%0.36SS..  trans74.115.7-177.100000114.2P66 E67 H72P66-G69 PolarHBondContact O-N 3.05Å; E67-G69 PolarHBondContact O-N 3.42Å; G69-H72 PolarHBondContact O-CE1 3.45Å; G69-H72 VanDerWaalsContact O-CE1 3.3Å; G69-H72 PolarHBondContact O-ND1 3.29Å; G69-H72 VanDerWaalsContact O-ND1 3.12Å
70A98.1Very high98.2Very high6 Ų650.9 Ų50.95%0.0534%0.338CS..  trans-87.55.6-175.100000114.7L16 L41 L53 T64 L68 H72 L73L16-A70 HydrophobicContact CD1-CB 4.33Å; L41-A70 HydrophobicContact CD2-CB 3.98Å; L53-A70 HydrophobicContact CD2-CB 4.08Å; T64-A70 HydrophobicContact CG2-CB 4.45Å; L68-A70 VanDerWaalsContact C-N 3.26Å; L68-A70 HydrophobicContact CB-CB 4.41Å; L68-A70 HydrophobicContact CD2-CB 3.92Å; L68-A70 HydrophobicContact CG-CB 3.97Å; L68-A70 PolarHBondContact O-N 2.89Å; A70-H72 PolarHBondContact O-N 2.91Å; A70-L73 HydrophobicContact CB-CD1 4.17Å; A70-L73 WeakPolarHBondContact O-CB 3.48Å; A70-L73 PolarHBondContact O-N 2.97Å
71G96.6Very high98.2Very high87 Ų8755.8 Ų55.890%0.89735%0.354SS*.THydrogen-bonded Turntrans-64.2-3-175.500000116.4
72H96.4Very high98.2Very high95 Ų9554.5 Ų54.544%0.4435%0.348SS..THydrogen-bonded Turntrans-94.9-6.9172.963.8-76.7000112.9G69 A70G69-H72 PolarHBondContact O-CE1 3.45Å; G69-H72 VanDerWaalsContact O-CE1 3.3Å; G69-H72 PolarHBondContact O-ND1 3.29Å; G69-H72 VanDerWaalsContact O-ND1 3.12Å; A70-H72 PolarHBondContact O-N 2.91Å
73L97.9Very high98.3Very high41 Ų4153.9 Ų53.922%0.21534%0.343CS..SBendtrans-95.5148.4178.3-57.9177.3000110.1L16 L41 T51 L53 A70L16-L73 HydrophobicContact CD1-CD1 4.11Å; L41-L73 HydrophobicContact CD1-CD1 4.18Å; T51-L73 HydrophobicContact CG2-CD1 3.58Å; L53-L73 HydrophobicContact CB-CB 4.33Å; L53-L73 HydrophobicContact CB-CD1 4.27Å; L53-L73 HydrophobicContact CD2-CB 4.23Å; A70-L73 HydrophobicContact CB-CD1 4.17Å; A70-L73 WeakPolarHBondContact O-CB 3.48Å; A70-L73 PolarHBondContact O-N 2.97Å
74T97Very high98.3Very high114 Ų11451.1 Ų51.170%0.69932%0.323SS*.PPolyproline II helixtrans-79.9122.2167.4-58.40000108.6
75A98.2Very high98.2Very high36 Ų3651.4 Ų51.430%0.29832%0.324SS..EExtended strand (participates in β ladder)trans-83.4129.8174.200000110.9L53 E55L53-A75 HydrophobicContact CD2-CB 3.83Å; L53-A75 HydrophobicContact CG-CB 4.05Å; E55-A75 HydrophobicContact CG-CB 3.9Å
76H98.7Very high98.2Very high31 Ų3156.9 Ų56.914%0.14435%0.349CS..EExtended strand (participates in β ladder)trans-87.1108.7171-63.1-69.1000110.3L53 T54 E55 I85 V88 E91L53-H76 PolarHBondContact O-N 3.38Å; T54-H76 VanDerWaalsContact CA-O 3.29Å; T54-H76 WeakPolarHBondContact CA-O 3.46Å; T54-H76 HydrophobicContact CG2-CB 4.2Å; E55-H76 PolarHBondContact N-O 3.46Å; H76-I85 HydrophobicContact CB-CD1 4.1Å; H76-V88 HydrophobicContact CB-CG2 4.15Å; H76-E91 IonicContact CD2-OE2 2.61Å; H76-E91 IonicContact CE1-OE2 2.62Å; H76-E91 IonicContact NE2-OE2 3.51Å; H76-E91 PolarHBondContact NE2-OE2 2.91Å
77A98.6Very high98.2Very high64 Ų6457.1 Ų57.153%0.52934%0.342SS..EExtended strand (participates in β ladder)trans-74.9131.5177.400000110.6E55 P58E55-A77 CarbonylContact O-C 3.52Å; E55-A77 WeakPolarHBondContact O-CA 3.4Å; P58-A77 HydrophobicContact CG-CB 3.84Å
78K98.8Very high98.3Very high10 Ų1052 Ų524%0.04332%0.318CS..EExtended strand (participates in β ladder)trans-140.5161.6-178.763.4-179.6-179.871.20112.8D18 T54 E55 Q56 Y57 S80 F81 T82 I85D18-K78 VanDerWaalsContact OD1-CE 3.29Å; D18-K78 WeakPolarHBondContact OD1-CE 3.36Å; D18-K78 IonicContact OD1-NZ 2.78Å; D18-K78 WeakPolarHBondContact OD2-CE 3.49Å; D18-K78 IonicContact OD2-NZ 3.37Å; D18-K78 PolarHBondContact OD2-NZ 3.46Å; T54-K78 HydrophobicContact CG2-CD 4.16Å; T54-K78 WeakPolarHBondContact OG1-CE 3.45Å; E55-K78 PolarHBondContact O-N 2.78Å; Q56-K78 CarbonylContact C-O 3.58Å; Q56-K78 WeakPolarHBondContact CA-O 3.37Å; Y57-K78 PolarHBondContact N-O 3.41Å; K78-S80 WeakPolarHBondContact CD-O 3.31Å; K78-S80 PolarHBondContact NZ-O 2.85Å; K78-F81 PolarHBondContact NZ-O 2.87Å; K78-F81 VanDerWaalsContact NZ-O 3.08Å; K78-T82 WeakPolarHBondContact CD-O 3.49Å; K78-I85 HydrophobicContact CB-CD1 4.09Å; K78-I85 HydrophobicContact CB-CG2 4.03Å; K78-I85 HydrophobicContact CD-CG2 4.42Å
79T98.4Very high98.2Very high110 Ų11055 Ų5568%0.67533%0.332SS*.SBendtrans-114.3-16.2165.254.70000112.7Q56Q56-T79 VanDerWaalsContact NE2-C 3.33Å; Q56-T79 PolarHBondContact NE2-O 3.45Å
80S98.5Very high98.2Very high55 Ų5558.5 Ų58.539%0.38534%0.336SS..SBendtrans-69.4145.2171.8-1680000110.6Q56 K78 T82Q56-S80 PolarHBondContact OE1-O 2.78Å; K78-S80 WeakPolarHBondContact CD-O 3.31Å; K78-S80 PolarHBondContact NZ-O 2.85Å; S80-T82 WeakPolarHBondContact OG-CG2 3.5Å
81F98.8Very high98.2Very high121 Ų12161.1 Ų61.153%0.53135%0.347SS..SBendtrans-68.3-42.9177.3-65-49.2000111.5K78 C111 C114K78-F81 PolarHBondContact NZ-O 2.87Å; K78-F81 VanDerWaalsContact NZ-O 3.08Å; F81-C111 WeakPolarHBondContact O-CA 3.38Å; F81-C111 WeakPolarHBondContact O-CB 3.42Å; F81-C111 PolarHBondContact O-SG 3.41Å; F81-C111 VanDerWaalsContact O-SG 3.41Å; F81-C114 HydrophobicContact CB-CB 4.34Å
82T98.8Very high98.3Very high17 Ų1757.6 Ų57.610%0.10431%0.307CS..SBendtrans-64143.3173.7-176.40000111.8K78 S80 M84 D118K78-T82 WeakPolarHBondContact CD-O 3.49Å; S80-T82 WeakPolarHBondContact OG-CG2 3.5Å; T82-M84 HydrophobicContact CG2-CB 4.48Å; T82-M84 WeakPolarHBondContact OG1-CB 3.5Å; T82-M84 PolarHBondContact OG1-N 3.05Å; T82-M84 VanDerWaalsContact OG1-N 3.1Å; T82-D118 WeakPolarHBondContact CB-OD2 3.32Å; T82-D118 VanDerWaalsContact CG2-OD2 3.29Å; T82-D118 WeakPolarHBondContact CG2-OD2 3.41Å; T82-D118 PolarHBondContact OG1-OD2 2.85Å
83M98.9Very high98.4Very high0 Ų059.4 Ų59.40%032%0.316CS..SBendtrans-72.6-15.6169.1-62.1178.772.300112F15 L16 C17 T54 I85 V88 T115F15-M83 HydrophobicContact CB-CE 3.95Å; F15-M83 HydrophobicContact CB-SD 4Å; F15-M83 HydrophobicContact CD1-CB 4.25Å; F15-M83 HydrophobicContact CD1-CE 3.58Å; F15-M83 HydrophobicContact CD1-SD 3.73Å; F15-M83 HydrophobicContact CE1-CB 4.46Å; F15-M83 HydrophobicContact CG-CE 4.23Å; F15-M83 HydrophobicContact CG-SD 4.37Å; L16-M83 WeakPolarHBondContact O-CE 3.38Å; C17-M83 HydrophobicContact CB-CE 4.36Å; C17-M83 HydrophobicContact CB-CG 4.41Å; C17-M83 HydrophobicContact CB-SD 3.47Å; C17-M83 WeakPolarHBondContact CB-SD 3.36Å; T54-M83 HydrophobicContact CG2-CB 3.88Å; T54-M83 HydrophobicContact CG2-CE 3.48Å; T54-M83 VanDerWaalsContact CG2-CE 3.48Å; T54-M83 HydrophobicContact CG2-CG 3.85Å; T54-M83 HydrophobicContact CG2-SD 4.49Å; T54-M83 VanDerWaalsContact OG1-CE 3.32Å; T54-M83 WeakPolarHBondContact OG1-CE 3.17Å; T54-M83 WeakPolarHBondContact OG1-CG 3.32Å; M83-I85 PolarHBondContact O-N 3.21Å; M83-V88 WeakPolarHBondContact O-CB 3.47Å; M83-V88 WeakPolarHBondContact O-CG1 3.4Å; M83-V88 WeakPolarHBondContact O-CG2 3.34Å; M83-T115 HydrophobicContact CB-CG2 3.75Å; M83-T115 HydrophobicContact CG-CG2 4.04Å; M83-T115 WeakPolarHBondContact CG-OG1 3.42Å; M83-T115 PolarHBondContact N-OG1 3.04Å; M83-T115 HydrophobicContact SD-CG2 4.21Å
84M98.6Very high98.4Very high18 Ų1861.8 Ų61.89%0.08934%0.341CS..  trans-77.554.5-175.3-57.4-56.4-62.800112.6F15 T82 V88 E89 L92 T115 D118 L119 K122F15-M84 HydrophobicContact CE1-SD 4.15Å; F15-M84 HydrophobicContact CZ-SD 4.33Å; T82-M84 HydrophobicContact CG2-CB 4.48Å; T82-M84 WeakPolarHBondContact OG1-CB 3.5Å; T82-M84 PolarHBondContact OG1-N 3.05Å; T82-M84 VanDerWaalsContact OG1-N 3.1Å; M84-V88 HydrophobicContact SD-CG1 4.25Å; M84-E89 HydrophobicContact CE-CG 4.06Å; M84-L92 HydrophobicContact CE-CD1 3.52Å; M84-L92 HydrophobicContact SD-CD1 4.16Å; M84-T115 HydrophobicContact CG-CG2 4.42Å; M84-D118 HydrophobicContact CB-CB 4.23Å; M84-D118 HydrophobicContact CG-CB 3.77Å; M84-L119 HydrophobicContact CE-CD2 4Å; M84-L119 HydrophobicContact CG-CG 4.46Å; M84-L119 HydrophobicContact SD-CD2 3.51Å; M84-L119 VanDerWaalsContact SD-CD2 3.51Å; M84-L119 HydrophobicContact SD-CG 4Å; M84-K122 HydrophobicContact CE-CD 3.85Å
85I98.7Very high98.3Very high26 Ų2659.7 Ų59.713%0.13333%0.326CS..  trans-79.5164.8168.565.8176.1000110.2H76 K78 M83 E87 V88 E89H76-I85 HydrophobicContact CB-CD1 4.1Å; K78-I85 HydrophobicContact CB-CD1 4.09Å; K78-I85 HydrophobicContact CB-CG2 4.03Å; K78-I85 HydrophobicContact CD-CG2 4.42Å; M83-I85 PolarHBondContact O-N 3.21Å; I85-E87 HydrophobicContact CD1-CB 4.27Å; I85-E87 VanDerWaalsContact CD1-OE2 3.28Å; I85-E87 WeakPolarHBondContact CD1-OE2 3.36Å; I85-E87 HydrophobicContact CG1-CB 4.34Å; I85-E87 WeakPolarHBondContact CG1-OE2 3.48Å; I85-E87 PolarHBondContact O-N 3.13Å; I85-E87 VanDerWaalsContact O-N 3.17Å; I85-V88 HydrophobicContact CD1-CG2 4.43Å; I85-V88 HydrophobicContact CG1-CB 4.11Å; I85-V88 HydrophobicContact CG1-CG2 3.86Å; I85-V88 PolarHBondContact O-N 3.02Å; I85-E89 PolarHBondContact O-N 3.29Å
86E98.4Very high98.2Very high115 Ų11561 Ų6154%0.53734%0.342SS..Hα-helixtrans-54.3-38.8-176.5-173.4-177.7163.800112.9E89 K90E86-E89 PolarHBondContact O-N 3.22Å; E86-K90 HydrophobicContact CG-CD 4.34Å; E86-K90 WeakPolarHBondContact O-CB 3.48Å; E86-K90 VanDerWaalsContact O-CG 3.3Å; E86-K90 WeakPolarHBondContact O-CG 3.44Å; E86-K90 PolarHBondContact O-N 2.65Å; E86-K90 WeakPolarHBondContact OE1-CE 3.41Å; E86-K90 IonicContact OE1-NZ 3.41Å; E86-K90 PolarHBondContact OE1-NZ 2.92Å
87E98.4Very high98.1Very high103 Ų10362.1 Ų62.148%0.48135%0.354SS..Hα-helixtrans-65.1-39.8177.9-63.882.4175.900112.7I85 E91I85-E87 HydrophobicContact CD1-CB 4.27Å; I85-E87 VanDerWaalsContact CD1-OE2 3.28Å; I85-E87 WeakPolarHBondContact CD1-OE2 3.36Å; I85-E87 HydrophobicContact CG1-CB 4.34Å; I85-E87 WeakPolarHBondContact CG1-OE2 3.48Å; I85-E87 PolarHBondContact O-N 3.13Å; I85-E87 VanDerWaalsContact O-N 3.17Å; E87-E91 PolarHBondContact O-N 2.84Å
88V98.6Very high98Very high0 Ų059.7 Ų59.70%033%0.333CS..Hα-helixtrans-72.4-38.4177.7166.90000110.6F15 I52 T54 H76 M83 M84 I85 E91 L92F15-V88 HydrophobicContact CE1-CG1 3.85Å; F15-V88 HydrophobicContact CZ-CG1 4.43Å; I52-V88 HydrophobicContact CD1-CG1 4.23Å; I52-V88 HydrophobicContact CG2-CG1 4.08Å; I52-V88 HydrophobicContact CG2-CG2 3.87Å; T54-V88 HydrophobicContact CG2-CG2 4.12Å; H76-V88 HydrophobicContact CB-CG2 4.15Å; M83-V88 WeakPolarHBondContact O-CB 3.47Å; M83-V88 WeakPolarHBondContact O-CG1 3.4Å; M83-V88 WeakPolarHBondContact O-CG2 3.34Å; M84-V88 HydrophobicContact SD-CG1 4.25Å; I85-V88 HydrophobicContact CD1-CG2 4.43Å; I85-V88 HydrophobicContact CG1-CB 4.11Å; I85-V88 HydrophobicContact CG1-CG2 3.86Å; I85-V88 PolarHBondContact O-N 3.02Å; V88-E91 PolarHBondContact O-N 3.34Å; V88-L92 HydrophobicContact CG1-CD1 4.35Å; V88-L92 WeakPolarHBondContact O-CG 3.17Å; V88-L92 PolarHBondContact O-N 3.25Å
89E98.4Very high98Very high65 Ų6564.9 Ų64.930%0.30436%0.356SS..Hα-helixtrans-61.3-45.6173.8-69.5-171.913200111.6M84 I85 E86 E91 L92 E93 K122M84-E89 HydrophobicContact CE-CG 4.06Å; I85-E89 PolarHBondContact O-N 3.29Å; E86-E89 PolarHBondContact O-N 3.22Å; E89-E91 VanDerWaalsContact C-N 3.33Å; E89-E91 PolarHBondContact O-N 2.96Å; E89-L92 WeakPolarHBondContact O-CB 3.32Å; E89-L92 PolarHBondContact O-N 2.94Å; E89-E93 WeakPolarHBondContact O-CG 3.23Å; E89-E93 PolarHBondContact O-N 3Å; E89-K122 WeakPolarHBondContact OE1-CE 3.3Å; E89-K122 IonicContact OE1-NZ 2.66Å; E89-K122 PolarHBondContact OE1-NZ 3.01Å
90K98.3Very high98Very high115 Ų11560 Ų6050%0.533%0.325SS..Hα-helixtrans-61.5-39.9174.9-74.8172.2-176.7167.50112.5E86 E93 A94E86-K90 HydrophobicContact CG-CD 4.34Å; E86-K90 WeakPolarHBondContact O-CB 3.48Å; E86-K90 VanDerWaalsContact O-CG 3.3Å; E86-K90 WeakPolarHBondContact O-CG 3.44Å; E86-K90 PolarHBondContact O-N 2.65Å; E86-K90 WeakPolarHBondContact OE1-CE 3.41Å; E86-K90 IonicContact OE1-NZ 3.41Å; E86-K90 PolarHBondContact OE1-NZ 2.92Å; K90-E93 PolarHBondContact O-N 2.83Å; K90-A94 WeakPolarHBondContact O-CB 3.11Å; K90-A94 PolarHBondContact O-N 2.78Å
91E98.2Very high98Very high60 Ų6057.4 Ų57.428%0.2831%0.307SS..Hα-helixtrans-65.3-42.6176.2-174.3171.6-173.400111.4I52 H76 E87 V88 E89 E93 A94 L95I52-E91 HydrophobicContact CD1-CB 4.5Å; I52-E91 HydrophobicContact CD1-CG 4.28Å; I52-E91 HydrophobicContact CG1-CG 4.3Å; H76-E91 IonicContact CD2-OE2 2.61Å; H76-E91 IonicContact CE1-OE2 2.62Å; H76-E91 IonicContact NE2-OE2 3.51Å; H76-E91 PolarHBondContact NE2-OE2 2.91Å; E87-E91 PolarHBondContact O-N 2.84Å; V88-E91 PolarHBondContact O-N 3.34Å; E89-E91 VanDerWaalsContact C-N 3.33Å; E89-E91 PolarHBondContact O-N 2.96Å; E91-E93 VanDerWaalsContact C-N 3.32Å; E91-E93 PolarHBondContact O-N 2.84Å; E91-A94 PolarHBondContact O-N 3.35Å; E91-L95 HydrophobicContact CG-CD1 4.08Å; E91-L95 HydrophobicContact CG-CG 4.38Å; E91-L95 WeakPolarHBondContact O-CB 3.36Å; E91-L95 VanDerWaalsContact O-CG 3.23Å; E91-L95 WeakPolarHBondContact O-CG 3.46Å; E91-L95 PolarHBondContact O-N 2.81Å
92L97.9Very high98Very high13 Ų1351.7 Ų51.77%0.06828%0.282CS..Hα-helixtrans-59.4-42.6174.8-72.8169.6000112.3V13 F15 I52 M84 V88 E89 L95 G96 S97 P98V13-L92 HydrophobicContact CG1-CD2 3.96Å; V13-L92 HydrophobicContact CG2-CD2 4.37Å; F15-L92 HydrophobicContact CE2-CD2 4.14Å; F15-L92 HydrophobicContact CZ-CD1 4.03Å; F15-L92 HydrophobicContact CZ-CD2 3.84Å; F15-L92 HydrophobicContact CZ-CG 4.3Å; I52-L92 HydrophobicContact CD1-CD2 3.64Å; I52-L92 HydrophobicContact CD1-CG 3.84Å; M84-L92 HydrophobicContact CE-CD1 3.52Å; M84-L92 HydrophobicContact SD-CD1 4.16Å; V88-L92 HydrophobicContact CG1-CD1 4.35Å; V88-L92 WeakPolarHBondContact O-CG 3.17Å; V88-L92 PolarHBondContact O-N 3.25Å; E89-L92 WeakPolarHBondContact O-CB 3.32Å; E89-L92 PolarHBondContact O-N 2.94Å; L92-L95 PolarHBondContact O-N 2.83Å; L92-G96 PolarHBondContact O-N 3.04Å; L92-S97 WeakPolarHBondContact O-CA 3.44Å; L92-S97 PolarHBondContact O-N 2.78Å; L92-P98 HydrophobicContact CD2-CG 3.78Å; L92-P98 WeakPolarHBondContact O-CD 3.3Å
93E97.7Very high98Very high134 Ų13450.9 Ų50.963%0.62628%0.277SS*.Hα-helixtrans-61.7-44.5174.6-71.4177.5177.900111.5E89 K90 E91 L95 G96E89-E93 WeakPolarHBondContact O-CG 3.23Å; E89-E93 PolarHBondContact O-N 3Å; K90-E93 PolarHBondContact O-N 2.83Å; E91-E93 VanDerWaalsContact C-N 3.32Å; E91-E93 PolarHBondContact O-N 2.84Å; E93-L95 PolarHBondContact O-N 2.74Å; E93-G96 PolarHBondContact O-N 2.85Å
94A97.8Very high98Very high90 Ų9050.9 Ų50.974%0.74428%0.277SS*.Hα-helixtrans-64-29177.200000113K90 E91 G96K90-A94 WeakPolarHBondContact O-CB 3.11Å; K90-A94 PolarHBondContact O-N 2.78Å; E91-A94 PolarHBondContact O-N 3.35Å; A94-G96 PolarHBondContact O-N 3.37Å
95L96.6Very high98Very high70 Ų7050 Ų5037%0.36627%0.272SS..THydrogen-bonded Turntrans-79.12173.6-68.2172.5000113.5V13 P50 I52 E91 L92 E93V13-L95 HydrophobicContact CG2-CD1 4.32Å; P50-L95 HydrophobicContact CB-CD1 3.7Å; P50-L95 HydrophobicContact CB-CD2 3.56Å; P50-L95 HydrophobicContact CB-CG 4.22Å; P50-L95 HydrophobicContact CG-CD1 4.06Å; P50-L95 HydrophobicContact CG-CD2 4.13Å; I52-L95 HydrophobicContact CD1-CD1 4.32Å; I52-L95 HydrophobicContact CG1-CD1 4.47Å; E91-L95 HydrophobicContact CG-CD1 4.08Å; E91-L95 HydrophobicContact CG-CG 4.38Å; E91-L95 WeakPolarHBondContact O-CB 3.36Å; E91-L95 VanDerWaalsContact O-CG 3.23Å; E91-L95 WeakPolarHBondContact O-CG 3.46Å; E91-L95 PolarHBondContact O-N 2.81Å; L92-L95 PolarHBondContact O-N 2.83Å; E93-L95 PolarHBondContact O-N 2.74Å
96G96.1Very high98Very high63 Ų6348.8 Ų48.865%0.64927%0.266SS*.THydrogen-bonded Turntrans8622.4179.900000114.1L92 E93 A94L92-G96 PolarHBondContact O-N 3.04Å; E93-G96 PolarHBondContact O-N 2.85Å; A94-G96 PolarHBondContact O-N 3.37Å
97S95.6Very high98Very high55 Ų5544.7 Ų44.739%0.38525%0.247SC..  trans55.363.6176.7-57.10000112.9L92 K99L92-S97 WeakPolarHBondContact O-CA 3.44Å; L92-S97 PolarHBondContact O-N 2.78Å; S97-K99 PolarHBondContact O-NZ 3.21Å
98P97.1Very high98Very high14 Ų1439.8 Ų39.89%0.09122%0.224CC..  trans-52.5154179.724.5-34.9000111.2D11 V13 L92 M124D11-P98 CarbonylContact O-C 3.39Å; D11-P98 VanDerWaalsContact O-CB 3.27Å; D11-P98 WeakPolarHBondContact O-CB 3.18Å; V13-P98 HydrophobicContact CB-CB 4.21Å; V13-P98 HydrophobicContact CB-CG 3.82Å; V13-P98 HydrophobicContact CG1-CB 3.88Å; V13-P98 HydrophobicContact CG1-CG 3.42Å; V13-P98 VanDerWaalsContact CG1-CG 3.42Å; L92-P98 HydrophobicContact CD2-CG 3.78Å; L92-P98 WeakPolarHBondContact O-CD 3.3Å; P98-M124 WeakPolarHBondContact O-CE 3.14Å
99K97.5Very high98Very high119 Ų11943.4 Ų43.452%0.51724%0.241SC..SBendtrans-101.4-15-174.8-58.1-53.8179.1-156.90113.4D11 S97 M124 E125D11-K99 HydrophobicContact CB-CB 4.44Å; D11-K99 PolarHBondContact O-N 2.77Å; S97-K99 PolarHBondContact O-NZ 3.21Å; K99-M124 CarbonylContact O-C 3.51Å; K99-M124 WeakPolarHBondContact O-CA 3.31Å; K99-E125 PolarHBondContact O-N 2.88Å
100Q98.5Very high98.1Very high8 Ų841.2 Ų41.24%0.03723%0.234CC..EExtended strand (participates in β ladder)trans-124.6131.8-175.9-49.9-176.6-46.900110.1R6 L7 D11 A12 V13 E125R6-Q100 PolarHBondContact O-NE2 3.17Å; L7-Q100 HydrophobicContact CD2-CB 4.44Å; D11-Q100 HydrophobicContact CB-CG 4.25Å; D11-Q100 PolarHBondContact O-N 3.23Å; A12-Q100 CarbonylContact C-O 3.55Å; A12-Q100 VanDerWaalsContact CA-O 3.31Å; A12-Q100 WeakPolarHBondContact CA-O 3.36Å; A12-Q100 HydrophobicContact CB-CB 4.3Å; V13-Q100 WeakPolarHBondContact CG1-O 3.45Å; V13-Q100 PolarHBondContact N-O 2.9Å; Q100-E125 CarbonylContact C-O 3.3Å; Q100-E125 VanDerWaalsContact CA-O 3.31Å; Q100-E125 WeakPolarHBondContact CA-O 3.05Å; Q100-E125 HydrophobicContact CB-CB 4.47Å; Q100-E125 HydrophobicContact CG-CB 4.16Å; Q100-E125 PolarHBondContact NE2-OE2 2.86Å
101A98.8Very high98.1Very high0 Ų036.2 Ų36.20%021%0.213CC..EExtended strand (participates in β ladder)trans-112.5123.7174.500000109.7V13 F15 L103 L119 M124 E125 H127V13-A101 WeakPolarHBondContact O-CA 3.25Å; F15-A101 HydrophobicContact CD2-CB 4.05Å; F15-A101 HydrophobicContact CE2-CB 4.02Å; A101-L103 HydrophobicContact CB-CD1 3.54Å; A101-L119 HydrophobicContact CB-CD1 3.72Å; A101-L119 HydrophobicContact CB-CD2 4.48Å; A101-M124 HydrophobicContact CB-CE 3.99Å; A101-E125 PolarHBondContact N-O 2.94Å; A101-H127 PolarHBondContact O-N 3.25Å
102I98.9Very high98.1Very high0 Ų033.3 Ų33.30%020%0.2CC..EExtended strand (participates in β ladder)trans-96.7118.2169.3-58.4168.4000106.6L7 A12 V13 L14 F15 V40 H127 V129 V161 L165L7-I102 HydrophobicContact CD1-CD1 4.5Å; L7-I102 HydrophobicContact CD2-CD1 4.07Å; L7-I102 HydrophobicContact CD2-CG1 3.83Å; A12-I102 HydrophobicContact CB-CD1 4.16Å; V13-I102 PolarHBondContact O-N 2.78Å; L14-I102 CarbonylContact C-O 3.56Å; L14-I102 WeakPolarHBondContact CA-O 3.48Å; L14-I102 HydrophobicContact CD1-CB 4.13Å; L14-I102 HydrophobicContact CD1-CG2 3.87Å; L14-I102 WeakPolarHBondContact CD1-O 3.48Å; F15-I102 PolarHBondContact N-O 2.89Å; V40-I102 HydrophobicContact CG1-CG2 4.11Å; I102-H127 CarbonylContact C-O 3.59Å; I102-H127 WeakPolarHBondContact CA-O 3.44Å; I102-V129 HydrophobicContact CG2-CG2 3.55Å; I102-V161 HydrophobicContact CD1-CG1 4.07Å; I102-V161 HydrophobicContact CG2-CG1 4.38Å; I102-L165 HydrophobicContact CD1-CD1 4.34Å
103L98.9Very high98.2Very high0 Ų032.9 Ų32.90%020%0.198CC..EExtended strand (participates in β ladder)trans-109.5126.7-175.6-90.467.1000111.4F15 A101 I112 T115 L119 V126 H127 I128 V129F15-L103 HydrophobicContact CB-CD1 4Å; F15-L103 HydrophobicContact CB-CG 4.02Å; F15-L103 HydrophobicContact CD2-CD1 4.26Å; F15-L103 HydrophobicContact CG-CD1 4.26Å; A101-L103 HydrophobicContact CB-CD1 3.54Å; L103-I112 HydrophobicContact CD2-CG2 4.43Å; L103-T115 HydrophobicContact CD2-CG2 4.16Å; L103-L119 HydrophobicContact CD1-CD1 3.79Å; L103-L119 HydrophobicContact CD2-CD1 4.33Å; L103-V126 HydrophobicContact CD1-CG1 4.1Å; L103-V126 HydrophobicContact CD2-CG1 4.3Å; L103-H127 PolarHBondContact N-O 3.41Å; L103-I128 HydrophobicContact CB-CD1 3.89Å; L103-I128 HydrophobicContact CD2-CD1 3.96Å; L103-I128 HydrophobicContact CG-CD1 4.48Å; L103-V129 PolarHBondContact O-N 3.31Å
104C98.9Very high98.2Very high0 Ų028.6 Ų28.60%018%0.182CC..EExtended strand (participates in β ladder)trans-125.9149.9167-57.80000109.3F15 L16 C17 M19 A37 A132F15-C104 PolarHBondContact O-N 2.9Å; L16-C104 HydrophobicContact CD2-CB 4.09Å; C17-C104 WeakPolarHBondContact CB-O 3.35Å; C17-C104 PolarHBondContact N-O 3.3Å; M19-C104 VanDerWaalsContact CE-C 3.4Å; M19-C104 HydrophobicContact CE-CB 3.57Å; A37-C104 HydrophobicContact CB-CB 3.94Å; C104-A132 HydrophobicContact CB-CB 4.03Å
105G98.8Very high98.3Very high0 Ų024.3 Ų24.30%015%0.147CC..EExtended strand (participates in β ladder)trans131.7-155169.800000115.5C17 A132 V133 S134C17-G105 VanDerWaalsContact O-CA 3.29Å; C17-G105 WeakPolarHBondContact O-CA 3.29Å; G105-A132 PolarHBondContact N-O 3Å; G105-V133 VanDerWaalsContact O-CA 3.29Å; G105-V133 WeakPolarHBondContact O-CA 3.41Å; G105-S134 PolarHBondContact O-N 3.44Å
106I98.9Very high98.4Very high1 Ų121 Ų211%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-142.8157.3-169.354.7161.7000111.2C17 D18 F23 I27 F30C17-I106 PolarHBondContact O-N 2.81Å; D18-I106 WeakPolarHBondContact O-CD1 3.36Å; D18-I106 WeakPolarHBondContact O-CG1 3.29Å; F23-I106 HydrophobicContact CB-CD1 3.38Å; F23-I106 HydrophobicContact CD1-CD1 3.85Å; F23-I106 HydrophobicContact CD2-CD1 3.52Å; F23-I106 HydrophobicContact CE1-CD1 4.48Å; F23-I106 HydrophobicContact CE2-CD1 4.19Å; F23-I106 HydrophobicContact CG-CD1 3.32Å; I27-I106 HydrophobicContact CD1-CB 4.26Å; I27-I106 HydrophobicContact CD1-CD1 4.2Å; I27-I106 HydrophobicContact CD1-CG2 4.13Å; I27-I106 HydrophobicContact CG1-CD1 3.89Å; I27-I106 HydrophobicContact CG1-CG2 4.27Å; I27-I106 HydrophobicContact CG2-CG2 3.97Å; F30-I106 HydrophobicContact CD2-CD1 4.49Å; F30-I106 HydrophobicContact CE2-CD1 3.97Å
107E98.8Very high98.5Very high28 Ų2821.2 Ų21.213%0.13111%0.111CC..  cis-87142.1-14.1-60.6-165.57900110.7F23 I27 H109 A110 C111 I112 S134 R136F23-E107 HydrophobicContact CE1-CG 4.44Å; I27-E107 HydrophobicContact CD1-CG 3.83Å; E107-H109 VanDerWaalsContact C-N 3.27Å; E107-H109 PolarHBondContact O-N 3.26Å; E107-H109 IonicContact OE1-CE1 3.58Å; E107-H109 PolarHBondContact OE1-CE1 3.28Å; E107-A110 HydrophobicContact CB-CB 4.26Å; E107-A110 CarbonylContact O-C 3.59Å; E107-A110 PolarHBondContact O-N 2.66Å; E107-C111 PolarHBondContact O-N 2.9Å; E107-I112 PolarHBondContact O-N 2.87Å; E107-I112 VanDerWaalsContact O-N 3.15Å; E107-S134 CarbonylContact C-O 3.53Å; E107-S134 WeakPolarHBondContact CA-O 3.48Å; E107-R136 WeakPolarHBondContact OE1-CD 3.45Å; E107-R136 WeakPolarHBondContact OE1-CG 3.34Å; E107-R136 PolarHBondContact OE1-N 3.37Å; E107-R136 VanDerWaalsContact OE1-N 3.13Å
108A98.8Very high98.7Very high0 Ų020.7 Ų20.70%010%0.104CC..Iπ-helixtrans-50.5-45.7-177.600000112.7A113 V133 S134 S135 R141 A144A108-A113 WeakPolarHBondContact O-CB 3.28Å; A108-A113 PolarHBondContact O-N 3.33Å; A108-A113 VanDerWaalsContact O-N 3.16Å; A108-V133 HydrophobicContact CB-CG1 3.47Å; A108-V133 VanDerWaalsContact CB-CG1 3.47Å; A108-S134 PolarHBondContact N-O 3.3Å; A108-S135 VanDerWaalsContact CB-OG 3.23Å; A108-S135 WeakPolarHBondContact CB-OG 3.49Å; A108-S135 PolarHBondContact N-OG 2.94Å; A108-R141 HydrophobicContact CB-CG 4.33Å; A108-A144 HydrophobicContact CB-CB 4Å
109H98.7Very high98.8Very high77 Ų7720 Ų2036%0.35610%0.1SC..Iπ-helixtrans-84.5-8.5-17668-79.2000114.4E107 S135 D140 A144E107-H109 VanDerWaalsContact C-N 3.27Å; E107-H109 PolarHBondContact O-N 3.26Å; E107-H109 IonicContact OE1-CE1 3.58Å; E107-H109 PolarHBondContact OE1-CE1 3.28Å; H109-S135 WeakPolarHBondContact ND1-CB 3.23Å; H109-S135 PolarHBondContact ND1-OG 3.44Å; H109-D140 HydrophobicContact CB-CB 4.13Å; H109-A144 VanDerWaalsContact CA-CB 3.49Å; H109-A144 HydrophobicContact CB-CB 3.77Å
110A98.8Very high98.8Very high19 Ų1916.6 Ų16.616%0.1579%0.087CC..Iπ-helixtrans-118.1-99.4-178.200000110E107 I112 A113 C114E107-A110 HydrophobicContact CB-CB 4.26Å; E107-A110 CarbonylContact O-C 3.59Å; E107-A110 PolarHBondContact O-N 2.66Å; A110-I112 VanDerWaalsContact C-N 3.32Å; A110-I112 PolarHBondContact O-N 2.97Å; A110-A113 PolarHBondContact O-N 3.01Å; A110-A113 VanDerWaalsContact O-N 3.11Å; A110-C114 PolarHBondContact O-N 3.25Å; A110-C114 PolarHBondContact O-SG 2.92Å
111C98.9Very high98.8Very high9 Ų923.9 Ų23.96%0.06112%0.121CC..Iπ-helixtrans-57.1-42.5-172.9-57.10000113.2C17 D18 F81 E107 T115C17-C111 WeakPolarHBondContact SG-CB 3.48Å; D18-C111 WeakPolarHBondContact OD2-CB 3.47Å; D18-C111 PolarHBondContact OD2-SG 3.18Å; F81-C111 WeakPolarHBondContact O-CA 3.38Å; F81-C111 WeakPolarHBondContact O-CB 3.42Å; F81-C111 PolarHBondContact O-SG 3.41Å; F81-C111 VanDerWaalsContact O-SG 3.41Å; E107-C111 PolarHBondContact O-N 2.9Å; C111-T115 VanDerWaalsContact O-CB 3.25Å; C111-T115 WeakPolarHBondContact O-CB 3.38Å; C111-T115 PolarHBondContact O-N 3.11Å; C111-T115 PolarHBondContact O-OG1 3.21Å
112I98.9Very high98.7Very high0 Ų029.4 Ų29.40%015%0.145CC..Iπ-helixtrans-65.3-45.8177.5-65.8-72.6000111C17 L103 E107 A110 T116 I128 V133 M148C17-I112 HydrophobicContact CB-CD1 3.48Å; C17-I112 VanDerWaalsContact CB-CD1 3.48Å; C17-I112 HydrophobicContact CB-CG1 4.31Å; L103-I112 HydrophobicContact CD2-CG2 4.43Å; E107-I112 PolarHBondContact O-N 2.87Å; E107-I112 VanDerWaalsContact O-N 3.15Å; A110-I112 VanDerWaalsContact C-N 3.32Å; A110-I112 PolarHBondContact O-N 2.97Å; I112-T116 VanDerWaalsContact O-CB 3.31Å; I112-T116 WeakPolarHBondContact O-CB 3.36Å; I112-T116 PolarHBondContact O-N 3.02Å; I112-T116 PolarHBondContact O-OG1 2.82Å; I112-I128 HydrophobicContact CG2-CD1 4.32Å; I112-V133 HydrophobicContact CD1-CG2 4.24Å; I112-V133 HydrophobicContact CG1-CG1 4.28Å; I112-V133 HydrophobicContact CG2-CG1 4.14Å; I112-M148 HydrophobicContact CG2-CE 3.88Å; I112-M148 HydrophobicContact CG2-SD 3.72Å
113A98.9Very high98.6Very high4 Ų432.4 Ų32.43%0.03318%0.176CC..Hα-helixtrans-64.7-49.2-18000000112.4A108 A110 T115 T116 Y117 M148A108-A113 WeakPolarHBondContact O-CB 3.28Å; A108-A113 PolarHBondContact O-N 3.33Å; A108-A113 VanDerWaalsContact O-N 3.16Å; A110-A113 PolarHBondContact O-N 3.01Å; A110-A113 VanDerWaalsContact O-N 3.11Å; A113-T115 VanDerWaalsContact C-N 3.34Å; A113-T115 PolarHBondContact O-N 3.41Å; A113-T116 WeakPolarHBondContact O-CB 3.39Å; A113-T116 PolarHBondContact O-N 3.43Å; A113-T116 VanDerWaalsContact O-N 3.17Å; A113-Y117 HydrophobicContact CB-CE2 4.05Å; A113-Y117 WeakPolarHBondContact O-CD2 3.48Å; A113-Y117 WeakPolarHBondContact O-CE2 3.19Å; A113-Y117 VanDerWaalsContact O-CG 3.23Å; A113-Y117 PolarHBondContact O-N 3.11Å; A113-M148 HydrophobicContact CB-CG 4.45Å; A113-M148 HydrophobicContact CB-SD 4.3Å
114C98.9Very high98.5Very high44 Ų4433.5 Ų33.530%0.29718%0.181SC..Hα-helixtrans-58.3-46.6177-67.50000111.4F81 A110 T116 Y117 D118F81-C114 HydrophobicContact CB-CB 4.34Å; A110-C114 PolarHBondContact O-N 3.25Å; A110-C114 PolarHBondContact O-SG 2.92Å; C114-T116 VanDerWaalsContact C-N 3.3Å; C114-T116 PolarHBondContact O-N 3.06Å; C114-Y117 PolarHBondContact O-N 3.27Å; C114-D118 PolarHBondContact O-N 2.75Å; C114-D118 VanDerWaalsContact O-N 3.14Å
115T98.9Very high98.5Very high0 Ų035.4 Ų35.40%019%0.19CC..Hα-helixtrans-60.4-42176.5-53.80000111.6M83 M84 L103 C111 A113 Y117 D118 L119M83-T115 HydrophobicContact CB-CG2 3.75Å; M83-T115 HydrophobicContact CG-CG2 4.04Å; M83-T115 WeakPolarHBondContact CG-OG1 3.42Å; M83-T115 PolarHBondContact N-OG1 3.04Å; M83-T115 HydrophobicContact SD-CG2 4.21Å; M84-T115 HydrophobicContact CG-CG2 4.42Å; L103-T115 HydrophobicContact CD2-CG2 4.16Å; C111-T115 VanDerWaalsContact O-CB 3.25Å; C111-T115 WeakPolarHBondContact O-CB 3.38Å; C111-T115 PolarHBondContact O-N 3.11Å; C111-T115 PolarHBondContact O-OG1 3.21Å; A113-T115 VanDerWaalsContact C-N 3.34Å; A113-T115 PolarHBondContact O-N 3.41Å; T115-Y117 PolarHBondContact O-N 3.33Å; T115-D118 PolarHBondContact O-N 3.08Å; T115-L119 HydrophobicContact CG2-CD1 3.75Å; T115-L119 HydrophobicContact CG2-CG 4.25Å; T115-L119 WeakPolarHBondContact O-CB 3.29Å; T115-L119 WeakPolarHBondContact O-CD1 3.33Å; T115-L119 WeakPolarHBondContact O-CG 3.36Å; T115-L119 PolarHBondContact O-N 2.8Å
116T98.9Very high98.5Very high0 Ų035.5 Ų35.50%019%0.191CC..Hα-helixtrans-60.7-44.4178.7-63.50000111.8I112 A113 C114 I120 V126 I128 M148 A153I112-T116 VanDerWaalsContact O-CB 3.31Å; I112-T116 WeakPolarHBondContact O-CB 3.36Å; I112-T116 PolarHBondContact O-N 3.02Å; I112-T116 PolarHBondContact O-OG1 2.82Å; A113-T116 WeakPolarHBondContact O-CB 3.39Å; A113-T116 PolarHBondContact O-N 3.43Å; A113-T116 VanDerWaalsContact O-N 3.17Å; C114-T116 VanDerWaalsContact C-N 3.3Å; C114-T116 PolarHBondContact O-N 3.06Å; T116-I120 HydrophobicContact CG2-CD1 3.74Å; T116-I120 HydrophobicContact CG2-CG1 4.49Å; T116-I120 WeakPolarHBondContact O-CB 3.21Å; T116-I120 VanDerWaalsContact O-CG1 3.25Å; T116-I120 WeakPolarHBondContact O-CG1 3.42Å; T116-I120 PolarHBondContact O-N 3.39Å; T116-V126 HydrophobicContact CG2-CB 4.38Å; T116-V126 HydrophobicContact CG2-CG1 3.91Å; T116-I128 HydrophobicContact CG2-CD1 4.37Å; T116-I128 WeakPolarHBondContact OG1-CD1 3.47Å; T116-M148 HydrophobicContact CG2-CB 4.12Å; T116-M148 HydrophobicContact CG2-CG 3.92Å; T116-M148 HydrophobicContact CG2-SD 4.04Å; T116-M148 PolarHBondContact OG1-SD 3.2Å; T116-M148 VanDerWaalsContact OG1-SD 3.32Å; T116-A153 HydrophobicContact CG2-CB 3.92Å
117Y98.9Very high98.5Very high67 Ų6735.6 Ų35.626%0.26319%0.191SC..Hα-helixtrans-64.5-47.8179.6-55.4-35.1000111.3A113 C114 T115 L119 I120 E121 R147 M148 S151A113-Y117 HydrophobicContact CB-CE2 4.05Å; A113-Y117 WeakPolarHBondContact O-CD2 3.48Å; A113-Y117 WeakPolarHBondContact O-CE2 3.19Å; A113-Y117 VanDerWaalsContact O-CG 3.23Å; A113-Y117 PolarHBondContact O-N 3.11Å; C114-Y117 PolarHBondContact O-N 3.27Å; T115-Y117 PolarHBondContact O-N 3.33Å; Y117-L119 VanDerWaalsContact C-N 3.32Å; Y117-L119 PolarHBondContact O-N 2.94Å; Y117-I120 PolarHBondContact O-N 3.15Å; Y117-E121 WeakPolarHBondContact O-CB 3.32Å; Y117-E121 WeakPolarHBondContact O-CG 3.47Å; Y117-E121 PolarHBondContact O-N 3.27Å; Y117-R147 VanDerWaalsContact OH-CG 3.29Å; Y117-R147 WeakPolarHBondContact OH-CG 3.39Å; Y117-M148 HydrophobicContact CE1-CG 4.37Å; Y117-S151 WeakPolarHBondContact CE1-OG 3.43Å
118D98.8Very high98.5Very high45 Ų4534.2 Ų34.224%0.24119%0.185CC..Hα-helixtrans-61.3-41179.6-64.6-12.6000112.1T82 M84 C114 T115 E121 K122T82-D118 WeakPolarHBondContact CB-OD2 3.32Å; T82-D118 VanDerWaalsContact CG2-OD2 3.29Å; T82-D118 WeakPolarHBondContact CG2-OD2 3.41Å; T82-D118 PolarHBondContact OG1-OD2 2.85Å; M84-D118 HydrophobicContact CB-CB 4.23Å; M84-D118 HydrophobicContact CG-CB 3.77Å; C114-D118 PolarHBondContact O-N 2.75Å; C114-D118 VanDerWaalsContact O-N 3.14Å; T115-D118 PolarHBondContact O-N 3.08Å; D118-E121 PolarHBondContact O-N 3.01Å; D118-K122 WeakPolarHBondContact O-CB 3.45Å; D118-K122 VanDerWaalsContact O-CG 3.3Å; D118-K122 WeakPolarHBondContact O-CG 3.34Å; D118-K122 PolarHBondContact O-N 2.89Å
119L98.7Very high98.5Very high0 Ų034.2 Ų34.20%019%0.185CC..Hα-helixtrans-64.2-42.4176.6-72.4170.2000111.8F15 M84 A101 L103 T115 Y117 K122 G123 M124 V126F15-L119 HydrophobicContact CZ-CD2 4.17Å; M84-L119 HydrophobicContact CE-CD2 4Å; M84-L119 HydrophobicContact CG-CG 4.46Å; M84-L119 HydrophobicContact SD-CD2 3.51Å; M84-L119 VanDerWaalsContact SD-CD2 3.51Å; M84-L119 HydrophobicContact SD-CG 4Å; A101-L119 HydrophobicContact CB-CD1 3.72Å; A101-L119 HydrophobicContact CB-CD2 4.48Å; L103-L119 HydrophobicContact CD1-CD1 3.79Å; L103-L119 HydrophobicContact CD2-CD1 4.33Å; T115-L119 HydrophobicContact CG2-CD1 3.75Å; T115-L119 HydrophobicContact CG2-CG 4.25Å; T115-L119 WeakPolarHBondContact O-CB 3.29Å; T115-L119 WeakPolarHBondContact O-CD1 3.33Å; T115-L119 WeakPolarHBondContact O-CG 3.36Å; T115-L119 PolarHBondContact O-N 2.8Å; Y117-L119 VanDerWaalsContact C-N 3.32Å; Y117-L119 PolarHBondContact O-N 2.94Å; L119-K122 CarbonylContact O-C 3.55Å; L119-K122 PolarHBondContact O-N 3.37Å; L119-G123 PolarHBondContact O-N 2.71Å; L119-M124 HydrophobicContact CB-CB 4.39Å; L119-M124 HydrophobicContact CD2-CE 4.15Å; L119-M124 HydrophobicContact CD2-SD 3.42Å; L119-M124 WeakPolarHBondContact CD2-SD 3.33Å; L119-M124 WeakPolarHBondContact O-CB 3.48Å; L119-M124 PolarHBondContact O-N 3.04Å; L119-V126 HydrophobicContact CB-CG2 3.57Å; L119-V126 HydrophobicContact CD1-CG2 4.17Å
120I98.4Very high98.5Very high47 Ų4730.9 Ų30.924%0.24117%0.171CC..Hα-helixtrans-66.1-42.9177-71.2171.1000110.9T116 Y117 K122 G123 V126 A153T116-I120 HydrophobicContact CG2-CD1 3.74Å; T116-I120 HydrophobicContact CG2-CG1 4.49Å; T116-I120 WeakPolarHBondContact O-CB 3.21Å; T116-I120 VanDerWaalsContact O-CG1 3.25Å; T116-I120 WeakPolarHBondContact O-CG1 3.42Å; T116-I120 PolarHBondContact O-N 3.39Å; Y117-I120 PolarHBondContact O-N 3.15Å; I120-K122 PolarHBondContact O-N 3.47Å; I120-G123 WeakPolarHBondContact O-CA 3.49Å; I120-G123 PolarHBondContact O-N 2.81Å; I120-V126 HydrophobicContact CD1-CG2 4.48Å; I120-V126 HydrophobicContact CG1-CB 4.29Å; I120-V126 HydrophobicContact CG1-CG2 3.75Å; I120-A153 HydrophobicContact CD1-CB 4.23Å
121E98.3Very high98.5Very high160 Ų16030.6 Ų30.675%0.74817%0.166SC*.Hα-helixtrans-62.6-31.3176.3-73.2178.9178.200112Y117 D118 G123Y117-E121 WeakPolarHBondContact O-CB 3.32Å; Y117-E121 WeakPolarHBondContact O-CG 3.47Å; Y117-E121 PolarHBondContact O-N 3.27Å; D118-E121 PolarHBondContact O-N 3.01Å; E121-G123 PolarHBondContact O-N 2.83Å
122K97.1Very high98.5Very high116 Ų11630.1 Ų30.150%0.50416%0.163SC..THydrogen-bonded Turntrans-78.70.7170.6-72173-179.7-73.50114M84 E89 D118 L119 I120M84-K122 HydrophobicContact CE-CD 3.85Å; E89-K122 WeakPolarHBondContact OE1-CE 3.3Å; E89-K122 IonicContact OE1-NZ 2.66Å; E89-K122 PolarHBondContact OE1-NZ 3.01Å; D118-K122 WeakPolarHBondContact O-CB 3.45Å; D118-K122 VanDerWaalsContact O-CG 3.3Å; D118-K122 WeakPolarHBondContact O-CG 3.34Å; D118-K122 PolarHBondContact O-N 2.89Å; L119-K122 CarbonylContact O-C 3.55Å; L119-K122 PolarHBondContact O-N 3.37Å; I120-K122 PolarHBondContact O-N 3.47Å
123G96.4Very high98.5Very high64 Ų6430.1 Ų30.166%0.6616%0.163SC*.THydrogen-bonded Turntrans79.818.4175.900000115.1L119 I120 E121L119-G123 PolarHBondContact O-N 2.71Å; I120-G123 WeakPolarHBondContact O-CA 3.49Å; I120-G123 PolarHBondContact O-N 2.81Å; E121-G123 PolarHBondContact O-N 2.83Å
124M97.8Very high98.5Very high22 Ų2230 Ų3011%0.10816%0.162CC..  trans-82.8147.2173.7-64.6-176.664.200111.6V13 P98 K99 A101 L119V13-M124 HydrophobicContact CG1-CE 4.13Å; P98-M124 WeakPolarHBondContact O-CE 3.14Å; K99-M124 CarbonylContact O-C 3.51Å; K99-M124 WeakPolarHBondContact O-CA 3.31Å; A101-M124 HydrophobicContact CB-CE 3.99Å; L119-M124 HydrophobicContact CB-CB 4.39Å; L119-M124 HydrophobicContact CD2-CE 4.15Å; L119-M124 HydrophobicContact CD2-SD 3.42Å; L119-M124 WeakPolarHBondContact CD2-SD 3.33Å; L119-M124 WeakPolarHBondContact O-CB 3.48Å; L119-M124 PolarHBondContact O-N 3.04Å
125E98Very high98.5Very high41 Ų4127.9 Ų27.919%0.19215%0.148CC..EExtended strand (participates in β ladder)trans-77.5121167.5-66.6171.4-150.100109.6N3 K99 Q100 A101 H127N3-E125 VanDerWaalsContact ND2-CG 3.32Å; N3-E125 WeakPolarHBondContact ND2-CG 3.22Å; N3-E125 PolarHBondContact ND2-OE1 2.97Å; K99-E125 PolarHBondContact O-N 2.88Å; Q100-E125 CarbonylContact C-O 3.3Å; Q100-E125 VanDerWaalsContact CA-O 3.31Å; Q100-E125 WeakPolarHBondContact CA-O 3.05Å; Q100-E125 HydrophobicContact CB-CB 4.47Å; Q100-E125 HydrophobicContact CG-CB 4.16Å; Q100-E125 PolarHBondContact NE2-OE2 2.86Å; A101-E125 PolarHBondContact N-O 2.94Å; E125-H127 IonicContact OE2-NE2 3.98Å
126V98.7Very high98.4Very high1 Ų135.3 Ų35.31%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-106.4125.8-177.4-178.10000110.8L103 T116 L119 I120 I128 A153 Y154L103-V126 HydrophobicContact CD1-CG1 4.1Å; L103-V126 HydrophobicContact CD2-CG1 4.3Å; T116-V126 HydrophobicContact CG2-CB 4.38Å; T116-V126 HydrophobicContact CG2-CG1 3.91Å; L119-V126 HydrophobicContact CB-CG2 3.57Å; L119-V126 HydrophobicContact CD1-CG2 4.17Å; I120-V126 HydrophobicContact CD1-CG2 4.48Å; I120-V126 HydrophobicContact CG1-CB 4.29Å; I120-V126 HydrophobicContact CG1-CG2 3.75Å; V126-I128 HydrophobicContact CG1-CD1 3.56Å; V126-I128 HydrophobicContact CG1-CG1 4.38Å; V126-A153 HydrophobicContact CB-CB 4.18Å; V126-A153 HydrophobicContact CG1-CB 4.25Å; V126-A153 CarbonylContact O-C 3.58Å; V126-A153 WeakPolarHBondContact O-CA 3.25Å; V126-Y154 PolarHBondContact O-N 3.21Å
127H98.8Very high98.3Very high3 Ų337.4 Ų37.41%0.01419%0.19CC..EExtended strand (participates in β ladder)trans-114107177.3-64-93.7000109.9G5 L7 A101 I102 L103 E125 Y154 T156G5-H127 PolarHBondContact O-CE1 3.28Å; G5-H127 VanDerWaalsContact O-CE1 3.27Å; L7-H127 HydrophobicContact CD2-CB 4.43Å; L7-H127 VanDerWaalsContact CD2-CD2 3.45Å; L7-H127 WeakPolarHBondContact CD2-CD2 3.48Å; A101-H127 PolarHBondContact O-N 3.25Å; I102-H127 CarbonylContact C-O 3.59Å; I102-H127 WeakPolarHBondContact CA-O 3.44Å; L103-H127 PolarHBondContact N-O 3.41Å; E125-H127 IonicContact OE2-NE2 3.98Å; H127-Y154 CarbonylContact C-O 3.52Å; H127-Y154 WeakPolarHBondContact CA-O 3.3Å; H127-Y154 AromaticContact CE1-CD2 3.8Å; H127-T156 HydrophobicContact CB-CG2 4.29Å
128I98.9Very high98.1Very high0 Ų036.3 Ų36.30%019%0.187CC..EExtended strand (participates in β ladder)trans-88116.7177.4-49.6-57.3000109L103 I112 T116 V126 A130 V133 L145 M148 A153 Y154 L155 T156L103-I128 HydrophobicContact CB-CD1 3.89Å; L103-I128 HydrophobicContact CD2-CD1 3.96Å; L103-I128 HydrophobicContact CG-CD1 4.48Å; I112-I128 HydrophobicContact CG2-CD1 4.32Å; T116-I128 HydrophobicContact CG2-CD1 4.37Å; T116-I128 WeakPolarHBondContact OG1-CD1 3.47Å; V126-I128 HydrophobicContact CG1-CD1 3.56Å; V126-I128 HydrophobicContact CG1-CG1 4.38Å; I128-A130 PolarHBondContact O-N 2.73Å; I128-V133 HydrophobicContact CG2-CB 4.25Å; I128-V133 HydrophobicContact CG2-CG1 4.37Å; I128-V133 HydrophobicContact CG2-CG2 3.9Å; I128-L145 HydrophobicContact CG2-CD2 3.75Å; I128-M148 HydrophobicContact CD1-SD 4.03Å; I128-M148 HydrophobicContact CG1-CE 4.37Å; I128-M148 HydrophobicContact CG1-SD 4.22Å; I128-M148 HydrophobicContact CG2-CE 4.27Å; I128-A153 HydrophobicContact CG1-CB 4.07Å; I128-Y154 PolarHBondContact N-O 3.27Å; I128-L155 HydrophobicContact CB-CD2 3.8Å; I128-L155 HydrophobicContact CG1-CD2 4.11Å; I128-L155 HydrophobicContact CG2-CD2 4.31Å; I128-T156 WeakPolarHBondContact O-CG2 3.21Å; I128-T156 PolarHBondContact O-N 3.17Å
129V98.9Very high97.9Very high0 Ų038.1 Ų38.10%020%0.201CC..EExtended strand (participates in β ladder)trans-78.989174.6-171.40000108V40 I102 L103 D131 A132 V133 T156 T158 V161V40-V129 HydrophobicContact CG2-CG1 4.17Å; I102-V129 HydrophobicContact CG2-CG2 3.55Å; L103-V129 PolarHBondContact O-N 3.31Å; V129-D131 VanDerWaalsContact C-N 3.26Å; V129-D131 VanDerWaalsContact CG1-OD1 3.25Å; V129-D131 WeakPolarHBondContact CG1-OD1 3.29Å; V129-D131 PolarHBondContact O-N 2.92Å; V129-A132 HydrophobicContact CB-CB 4.03Å; V129-A132 HydrophobicContact CG1-CB 3.67Å; V129-A132 CarbonylContact O-C 3.57Å; V129-A132 VanDerWaalsContact O-C 3.3Å; V129-A132 WeakPolarHBondContact O-CA 3.35Å; V129-A132 PolarHBondContact O-N 3.12Å; V129-V133 WeakPolarHBondContact O-CG2 3.33Å; V129-V133 PolarHBondContact O-N 2.94Å; V129-V133 VanDerWaalsContact O-N 3.13Å; V129-T156 HydrophobicContact CG2-CG2 4.33Å; V129-T158 WeakPolarHBondContact CG1-OG1 3.44Å; V129-V161 HydrophobicContact CG2-CG2 4.06Å
130A98.5Very high97.8Very high7 Ų741.4 Ų41.46%0.05822%0.218CC..EExtended strand (participates in β ladder)trans-62.5-32-165.800000113.3I128 A132 V133 R141 L145 T156 L190I128-A130 PolarHBondContact O-N 2.73Å; A130-A132 PolarHBondContact O-N 2.87Å; A130-V133 PolarHBondContact O-N 3.01Å; A130-V133 VanDerWaalsContact O-O 3.13Å; A130-R141 PolarHBondContact O-NH2 2.8Å; A130-L145 HydrophobicContact CB-CD1 4.26Å; A130-L145 HydrophobicContact CB-CD2 4.35Å; A130-T156 WeakPolarHBondContact CB-O 3.31Å; A130-T156 PolarHBondContact N-O 2.89Å; A130-L190 HydrophobicContact CB-CD1 4.05Å
131D98.5Very high97.8Very high12 Ų1239.2 Ų39.26%0.06421%0.207CC..EExtended strand (participates in β ladder)trans-80.7-0.7174.864.3-21.2000113.2N36 V129 T157 T158 T188 L190N36-D131 WeakPolarHBondContact CB-O 3.27Å; N36-D131 PolarHBondContact ND2-O 2.73Å; V129-D131 VanDerWaalsContact C-N 3.26Å; V129-D131 VanDerWaalsContact CG1-OD1 3.25Å; V129-D131 WeakPolarHBondContact CG1-OD1 3.29Å; V129-D131 PolarHBondContact O-N 2.92Å; D131-T157 WeakPolarHBondContact OD1-CA 3.25Å; D131-T158 VanDerWaalsContact CG-OG1 3.31Å; D131-T158 PolarHBondContact OD1-N 3.43Å; D131-T158 PolarHBondContact OD1-OG1 3.11Å; D131-T158 WeakPolarHBondContact OD2-CB 3.36Å; D131-T158 PolarHBondContact OD2-N 3.17Å; D131-T158 PolarHBondContact OD2-OG1 3.36Å; D131-T188 WeakPolarHBondContact O-CG2 3.46Å; D131-L190 HydrophobicContact CB-CD1 3.9Å
132A98.8Very high97.7Very high0 Ų032.6 Ų32.60%018%0.176CC..EExtended strand (participates in β ladder)trans-122.718.8171.100000112.2N36 A37 C104 G105 V129 A130N36-A132 HydrophobicContact CB-CB 3.98Å; A37-A132 HydrophobicContact CB-CB 4.16Å; C104-A132 HydrophobicContact CB-CB 4.03Å; G105-A132 PolarHBondContact N-O 3Å; V129-A132 HydrophobicContact CB-CB 4.03Å; V129-A132 HydrophobicContact CG1-CB 3.67Å; V129-A132 CarbonylContact O-C 3.57Å; V129-A132 VanDerWaalsContact O-C 3.3Å; V129-A132 WeakPolarHBondContact O-CA 3.35Å; V129-A132 PolarHBondContact O-N 3.12Å; A130-A132 PolarHBondContact O-N 2.87Å
133V98.9Very high97.6Very high0 Ų033.5 Ų33.50%018%0.18CC..EExtended strand (participates in β ladder)trans-130.8131.4176.1167.40000110.5G105 A108 I112 I128 V129 A130 R141 L145G105-V133 VanDerWaalsContact O-CA 3.29Å; G105-V133 WeakPolarHBondContact O-CA 3.41Å; A108-V133 HydrophobicContact CB-CG1 3.47Å; A108-V133 VanDerWaalsContact CB-CG1 3.47Å; I112-V133 HydrophobicContact CD1-CG2 4.24Å; I112-V133 HydrophobicContact CG1-CG1 4.28Å; I112-V133 HydrophobicContact CG2-CG1 4.14Å; I128-V133 HydrophobicContact CG2-CB 4.25Å; I128-V133 HydrophobicContact CG2-CG1 4.37Å; I128-V133 HydrophobicContact CG2-CG2 3.9Å; V129-V133 WeakPolarHBondContact O-CG2 3.33Å; V129-V133 PolarHBondContact O-N 2.94Å; V129-V133 VanDerWaalsContact O-N 3.13Å; A130-V133 PolarHBondContact O-N 3.01Å; A130-V133 VanDerWaalsContact O-O 3.13Å; V133-R141 PolarHBondContact O-NE 3.5Å; V133-R141 PolarHBondContact O-NH2 3.22Å; V133-R141 VanDerWaalsContact O-NH2 3.08Å; V133-L145 HydrophobicContact CG1-CD2 4.33Å
134S98.8Very high97.7Very high0 Ų030.8 Ų30.80%015%0.152CC..EExtended strand (participates in β ladder)trans-147176.1-177.3-164.90000113.7F28 G105 E107 A108F28-S134 PolarHBondContact O-OG 3.28Å; G105-S134 PolarHBondContact O-N 3.44Å; E107-S134 CarbonylContact C-O 3.53Å; E107-S134 WeakPolarHBondContact CA-O 3.48Å; A108-S134 PolarHBondContact N-O 3.3Å
135S98.7Very high97.7Very high0 Ų029.7 Ų29.70%015%0.147CC..  trans-142.2174.3176.2-680000109.4F28 A108 H109F28-S135 PolarHBondContact N-O 2.97Å; F28-S135 VanDerWaalsContact N-O 3.07Å; A108-S135 VanDerWaalsContact CB-OG 3.23Å; A108-S135 WeakPolarHBondContact CB-OG 3.49Å; A108-S135 PolarHBondContact N-OG 2.94Å; H109-S135 WeakPolarHBondContact ND1-CB 3.23Å; H109-S135 PolarHBondContact ND1-OG 3.44Å
136R98.3Very high97.7Very high157 Ų15730.1 Ų30.159%0.59215%0.154SC*.SBendtrans-63.3-42171-67.9167.767.7-1710113.4N26 I27 E107N26-R136 HydrophobicContact CB-CG 4.04Å; N26-R136 WeakPolarHBondContact O-CA 3.14Å; N26-R136 WeakPolarHBondContact O-CB 3.5Å; N26-R136 VanDerWaalsContact O-CG 3.29Å; N26-R136 WeakPolarHBondContact O-CG 3.29Å; I27-R136 HydrophobicContact CD1-CG 4.01Å; E107-R136 WeakPolarHBondContact OE1-CD 3.45Å; E107-R136 WeakPolarHBondContact OE1-CG 3.34Å; E107-R136 PolarHBondContact OE1-N 3.37Å; E107-R136 VanDerWaalsContact OE1-N 3.13Å
137S95.9Very high97.7Very high44 Ų4436.5 Ų36.531%0.30818%0.178SC..SBendtrans-106.4140.5177178.40000110.8T139 D140 R141S137-T139 VanDerWaalsContact C-N 3.32Å; S137-T139 PolarHBondContact OG-N 3.2Å; S137-D140 VanDerWaalsContact CB-OD2 3.26Å; S137-D140 WeakPolarHBondContact CB-OD2 3.29Å; S137-D140 PolarHBondContact O-N 3.09Å; S137-R141 PolarHBondContact O-N 3.26Å; S137-R141 VanDerWaalsContact O-N 3.08Å
138Q94.1Very high97.6Very high43 Ų4336.3 Ų36.320%0.20118%0.177CC..Hα-helixtrans-65.5-37.9171.5-74-74.390.300110.8F28 D140 R141 L142 F193F28-Q138 HydrophobicContact CD1-CG 4.01Å; F28-Q138 HydrophobicContact CD2-CG 4.2Å; F28-Q138 VanDerWaalsContact CE1-CD 3.46Å; F28-Q138 HydrophobicContact CE1-CG 4.15Å; F28-Q138 HydrophobicContact CE2-CG 4.36Å; F28-Q138 HydrophobicContact CG-CG 4.01Å; F28-Q138 HydrophobicContact CZ-CG 4.34Å; Q138-D140 VanDerWaalsContact C-N 3.32Å; Q138-D140 PolarHBondContact O-N 2.91Å; Q138-R141 WeakPolarHBondContact O-CB 3.47Å; Q138-R141 PolarHBondContact O-N 3.43Å; Q138-L142 PolarHBondContact O-N 3.33Å; Q138-F193 HydrophobicContact CB-CD2 4.39Å; Q138-F193 HydrophobicContact CB-CE2 3.92Å; Q138-F193 WeakPolarHBondContact O-CE2 3.11Å; Q138-F193 WeakPolarHBondContact O-CZ 3.13Å
139T95.1Very high97.6Very high84 Ų8442.9 Ų42.952%0.51521%0.206SC..Hα-helixtrans-57.7-45.6175.5-55.10000111.5S137 R141 L142 F143S137-T139 VanDerWaalsContact C-N 3.32Å; S137-T139 PolarHBondContact OG-N 3.2Å; T139-R141 PolarHBondContact O-N 2.9Å; T139-L142 WeakPolarHBondContact O-CB 3.4Å; T139-L142 PolarHBondContact O-N 3Å; T139-L142 VanDerWaalsContact O-N 3.09Å; T139-F143 HydrophobicContact CG2-CD2 3.9Å; T139-F143 HydrophobicContact CG2-CE2 4Å; T139-F143 WeakPolarHBondContact O-CD2 3.5Å; T139-F143 PolarHBondContact O-N 3.38Å; T139-F143 VanDerWaalsContact O-N 3.16Å
140D97.8Very high97.5Very high69 Ų6949.3 Ų49.337%0.36924%0.236SC..Hα-helixtrans-64.6-43178.6-64.5-29.4000111.2H109 S137 Q138 L142 A144H109-D140 HydrophobicContact CB-CB 4.13Å; S137-D140 VanDerWaalsContact CB-OD2 3.26Å; S137-D140 WeakPolarHBondContact CB-OD2 3.29Å; S137-D140 PolarHBondContact O-N 3.09Å; Q138-D140 VanDerWaalsContact C-N 3.32Å; Q138-D140 PolarHBondContact O-N 2.91Å; D140-L142 PolarHBondContact O-N 3.39Å; D140-A144 WeakPolarHBondContact O-CB 3.16Å; D140-A144 PolarHBondContact O-N 3.1Å
141R97.7Very high97.5Very high0 Ų050.9 Ų50.90%025%0.247CC..Hα-helixtrans-56.4-37.2173.3-170-176.8-178.4-166.3-2.5111.4A108 A130 V133 S137 Q138 T139 L145 T188 F193A108-R141 HydrophobicContact CB-CG 4.33Å; A130-R141 PolarHBondContact O-NH2 2.8Å; V133-R141 PolarHBondContact O-NE 3.5Å; V133-R141 PolarHBondContact O-NH2 3.22Å; V133-R141 VanDerWaalsContact O-NH2 3.08Å; S137-R141 PolarHBondContact O-N 3.26Å; S137-R141 VanDerWaalsContact O-N 3.08Å; Q138-R141 WeakPolarHBondContact O-CB 3.47Å; Q138-R141 PolarHBondContact O-N 3.43Å; T139-R141 PolarHBondContact O-N 2.9Å; R141-L145 HydrophobicContact CG-CD1 4.11Å; R141-L145 WeakPolarHBondContact O-CB 3.36Å; R141-L145 VanDerWaalsContact O-CG 3.29Å; R141-L145 WeakPolarHBondContact O-CG 3.35Å; R141-L145 PolarHBondContact O-N 3.03Å; R141-T188 PolarHBondContact NH1-O 3.13Å; R141-T188 PolarHBondContact NH2-OG1 3.08Å; R141-F193 HydrophobicContact CB-CZ 4.28Å
142L95.4Very high97.4Very high21 Ų2152.5 Ų52.511%0.1127%0.266CS..Hα-helixtrans-68.5-56.8-172.8-173.652.7000110.1Q138 T139 D140 A144 L145 S146 F193 F194 L197Q138-L142 PolarHBondContact O-N 3.33Å; T139-L142 WeakPolarHBondContact O-CB 3.4Å; T139-L142 PolarHBondContact O-N 3Å; T139-L142 VanDerWaalsContact O-N 3.09Å; D140-L142 PolarHBondContact O-N 3.39Å; L142-A144 VanDerWaalsContact C-N 3.26Å; L142-A144 PolarHBondContact O-N 3.43Å; L142-L145 PolarHBondContact O-N 3.03Å; L142-S146 WeakPolarHBondContact O-CB 3.31Å; L142-S146 PolarHBondContact O-N 3.09Å; L142-F193 HydrophobicContact CB-CE1 3.78Å; L142-F193 HydrophobicContact CB-CE2 3.45Å; L142-F193 VanDerWaalsContact CB-CE2 3.45Å; L142-F193 HydrophobicContact CB-CZ 3.09Å; L142-F193 HydrophobicContact CD1-CD1 3.68Å; L142-F193 HydrophobicContact CD1-CD2 4.34Å; L142-F193 HydrophobicContact CD1-CE1 3.24Å; L142-F193 HydrophobicContact CD1-CE2 3.96Å; L142-F193 HydrophobicContact CD1-CG 4.28Å; L142-F193 HydrophobicContact CD1-CZ 3.5Å; L142-F193 HydrophobicContact CD2-CE2 4.11Å; L142-F193 HydrophobicContact CD2-CZ 4.36Å; L142-F193 HydrophobicContact CG-CE1 4.04Å; L142-F193 HydrophobicContact CG-CE2 4.02Å; L142-F193 HydrophobicContact CG-CZ 3.76Å; L142-F193 VanDerWaalsContact N-CZ 3.26Å; L142-F194 HydrophobicContact CD1-CE1 4.29Å; L142-L197 HydrophobicContact CD1-CD1 3.79Å; L142-L197 HydrophobicContact CD2-CD1 4Å; L142-L197 HydrophobicContact CD2-CD2 4.35Å; L142-L197 HydrophobicContact CD2-CG 4.27Å; L142-L197 HydrophobicContact CG-CD1 4.3Å
143F96.6Very high97.3Very high135 Ų13552.8 Ų52.859%0.59227%0.268SS*.Hα-helixtrans-68.6-32.3-176.1-78.9-77.7000110.2T139 R147T139-F143 HydrophobicContact CG2-CD2 3.9Å; T139-F143 HydrophobicContact CG2-CE2 4Å; T139-F143 WeakPolarHBondContact O-CD2 3.5Å; T139-F143 PolarHBondContact O-N 3.38Å; T139-F143 VanDerWaalsContact O-N 3.16Å; F143-R147 WeakPolarHBondContact O-CA 3.25Å; F143-R147 WeakPolarHBondContact O-CB 3.47Å; F143-R147 PolarHBondContact O-N 3.2Å
144A98.4Very high97.3Very high7 Ų756 Ų566%0.05828%0.281CS..Hα-helixtrans-61.8-54.4171.100000112.6A108 H109 D140 L142 S146 R147 M148A108-A144 HydrophobicContact CB-CB 4Å; H109-A144 VanDerWaalsContact CA-CB 3.49Å; H109-A144 HydrophobicContact CB-CB 3.77Å; D140-A144 WeakPolarHBondContact O-CB 3.16Å; D140-A144 PolarHBondContact O-N 3.1Å; L142-A144 VanDerWaalsContact C-N 3.26Å; L142-A144 PolarHBondContact O-N 3.43Å; A144-S146 VanDerWaalsContact C-N 3.35Å; A144-S146 PolarHBondContact O-N 3.39Å; A144-R147 PolarHBondContact O-N 3.32Å; A144-M148 HydrophobicContact CB-CE 4.36Å; A144-M148 WeakPolarHBondContact O-CB 3.49Å; A144-M148 WeakPolarHBondContact O-CE 3.32Å; A144-M148 WeakPolarHBondContact O-CG 3.38Å; A144-M148 PolarHBondContact O-N 2.92Å
145L97.9Very high97.2Very high0 Ų058.8 Ų58.80%030%0.295CS..Hα-helixtrans-60.6-44.7179.6-70175.9000111.4I128 A130 V133 R141 L142 R147 M148 K149 L155 L190I128-L145 HydrophobicContact CG2-CD2 3.75Å; A130-L145 HydrophobicContact CB-CD1 4.26Å; A130-L145 HydrophobicContact CB-CD2 4.35Å; V133-L145 HydrophobicContact CG1-CD2 4.33Å; R141-L145 HydrophobicContact CG-CD1 4.11Å; R141-L145 WeakPolarHBondContact O-CB 3.36Å; R141-L145 VanDerWaalsContact O-CG 3.29Å; R141-L145 WeakPolarHBondContact O-CG 3.35Å; R141-L145 PolarHBondContact O-N 3.03Å; L142-L145 PolarHBondContact O-N 3.03Å; L145-R147 PolarHBondContact O-N 2.85Å; L145-M148 HydrophobicContact CD2-CE 3.88Å; L145-K149 WeakPolarHBondContact O-CB 3.16Å; L145-K149 PolarHBondContact O-N 3.38Å; L145-L155 HydrophobicContact CB-CD1 4.09Å; L145-L155 HydrophobicContact CB-CD2 4.43Å; L145-L155 HydrophobicContact CD2-CD2 4.04Å; L145-L190 HydrophobicContact CD1-CD2 4.16Å
146S96.8Very high97.2Very high50 Ų5059.5 Ų59.535%0.3530%0.3SS..Hα-helixtrans-61.6-43.6176.1-179.80000111.9L142 A144 K149 Q150L142-S146 WeakPolarHBondContact O-CB 3.31Å; L142-S146 PolarHBondContact O-N 3.09Å; A144-S146 VanDerWaalsContact C-N 3.35Å; A144-S146 PolarHBondContact O-N 3.39Å; S146-K149 WeakPolarHBondContact O-CB 3.49Å; S146-K149 PolarHBondContact O-N 3.07Å; S146-Q150 WeakPolarHBondContact O-CG 3.49Å; S146-Q150 PolarHBondContact O-N 2.96Å
147R98.1Very high97.2Very high134 Ų13454.8 Ų54.851%0.50629%0.289SS..Hα-helixtrans-67.9-44.7-179.5-177.460.1178.2175.51.7111.9Y117 F143 A144 L145 K149 Q150 S151Y117-R147 VanDerWaalsContact OH-CG 3.29Å; Y117-R147 WeakPolarHBondContact OH-CG 3.39Å; F143-R147 WeakPolarHBondContact O-CA 3.25Å; F143-R147 WeakPolarHBondContact O-CB 3.47Å; F143-R147 PolarHBondContact O-N 3.2Å; A144-R147 PolarHBondContact O-N 3.32Å; L145-R147 PolarHBondContact O-N 2.85Å; R147-K149 VanDerWaalsContact C-N 3.28Å; R147-K149 PolarHBondContact O-N 3.39Å; R147-Q150 WeakPolarHBondContact O-CB 3.16Å; R147-Q150 PolarHBondContact O-N 2.78Å; R147-Q150 VanDerWaalsContact O-N 3.09Å; R147-S151 PolarHBondContact O-N 3.26Å; R147-S151 PolarHBondContact O-OG 3.2Å
148M98.5Very high97.4Very high0 Ų052.7 Ų52.70%027%0.274CS..Hα-helixtrans-59.6-40.1175.2-72.1-174.5-70.200111.6I112 A113 T116 Y117 I128 A144 L145 S151 G152 A153I112-M148 HydrophobicContact CG2-CE 3.88Å; I112-M148 HydrophobicContact CG2-SD 3.72Å; A113-M148 HydrophobicContact CB-CG 4.45Å; A113-M148 HydrophobicContact CB-SD 4.3Å; T116-M148 HydrophobicContact CG2-CB 4.12Å; T116-M148 HydrophobicContact CG2-CG 3.92Å; T116-M148 HydrophobicContact CG2-SD 4.04Å; T116-M148 PolarHBondContact OG1-SD 3.2Å; T116-M148 VanDerWaalsContact OG1-SD 3.32Å; Y117-M148 HydrophobicContact CE1-CG 4.37Å; I128-M148 HydrophobicContact CD1-SD 4.03Å; I128-M148 HydrophobicContact CG1-CE 4.37Å; I128-M148 HydrophobicContact CG1-SD 4.22Å; I128-M148 HydrophobicContact CG2-CE 4.27Å; A144-M148 HydrophobicContact CB-CE 4.36Å; A144-M148 WeakPolarHBondContact O-CB 3.49Å; A144-M148 WeakPolarHBondContact O-CE 3.32Å; A144-M148 WeakPolarHBondContact O-CG 3.38Å; A144-M148 PolarHBondContact O-N 2.92Å; L145-M148 HydrophobicContact CD2-CE 3.88Å; M148-S151 PolarHBondContact O-N 3.16Å; M148-G152 PolarHBondContact O-N 3.29Å; M148-A153 HydrophobicContact CB-CB 4.24Å; M148-A153 VanDerWaalsContact O-CB 3.31Å; M148-A153 WeakPolarHBondContact O-CB 3.43Å; M148-A153 PolarHBondContact O-N 3.05Å
149K97.3Very high97.6Very high138 Ų13854.3 Ų54.360%0.628%0.281SS*.Hα-helixtrans-59.6-45.7172-178-177.5174.5-177.90112.2L145 S146 R147 S151 G152 A153 L155L145-K149 WeakPolarHBondContact O-CB 3.16Å; L145-K149 PolarHBondContact O-N 3.38Å; S146-K149 WeakPolarHBondContact O-CB 3.49Å; S146-K149 PolarHBondContact O-N 3.07Å; R147-K149 VanDerWaalsContact C-N 3.28Å; R147-K149 PolarHBondContact O-N 3.39Å; K149-S151 PolarHBondContact O-N 2.97Å; K149-G152 PolarHBondContact O-N 3.12Å; K149-G152 VanDerWaalsContact O-N 3.1Å; K149-A153 WeakPolarHBondContact CA-O 3.45Å; K149-L155 HydrophobicContact CB-CD1 4.17Å; K149-L155 HydrophobicContact CB-CG 4.11Å; K149-L155 HydrophobicContact CD-CD1 4.29Å
150Q97.7Very high97.7Very high134 Ų13451.9 Ų51.963%0.62627%0.27SS*.Hα-helixtrans-62.5-32.6176.4-71.1171.18.700112.5S146 R147 G152S146-Q150 WeakPolarHBondContact O-CG 3.49Å; S146-Q150 PolarHBondContact O-N 2.96Å; R147-Q150 WeakPolarHBondContact O-CB 3.16Å; R147-Q150 PolarHBondContact O-N 2.78Å; R147-Q150 VanDerWaalsContact O-N 3.09Å; Q150-G152 PolarHBondContact O-N 3.15Å
151S97.6Very high97.7Very high41 Ų4148.6 Ų48.629%0.28725%0.252SS..THydrogen-bonded Turntrans-75.4-5.9176.2-61.30000113.8Y117 R147 M148 K149Y117-S151 WeakPolarHBondContact CE1-OG 3.43Å; R147-S151 PolarHBondContact O-N 3.26Å; R147-S151 PolarHBondContact O-OG 3.2Å; M148-S151 PolarHBondContact O-N 3.16Å; K149-S151 PolarHBondContact O-N 2.97Å
152G96.3Very high97.8Very high46 Ų4648.6 Ų48.647%0.47425%0.252SS..THydrogen-bonded Turntrans108.46.517600000115.5M148 K149 Q150M148-G152 PolarHBondContact O-N 3.29Å; K149-G152 PolarHBondContact O-N 3.12Å; K149-G152 VanDerWaalsContact O-N 3.1Å; Q150-G152 PolarHBondContact O-N 3.15Å
153A98.3Very high97.9Very high5 Ų551 Ų514%0.04126%0.264CS..PPolyproline II helixtrans-77.2148172.600000111.8T116 I120 V126 I128 M148 K149T116-A153 HydrophobicContact CG2-CB 3.92Å; I120-A153 HydrophobicContact CD1-CB 4.23Å; V126-A153 HydrophobicContact CB-CB 4.18Å; V126-A153 HydrophobicContact CG1-CB 4.25Å; V126-A153 CarbonylContact O-C 3.58Å; V126-A153 WeakPolarHBondContact O-CA 3.25Å; I128-A153 HydrophobicContact CG1-CB 4.07Å; M148-A153 HydrophobicContact CB-CB 4.24Å; M148-A153 VanDerWaalsContact O-CB 3.31Å; M148-A153 WeakPolarHBondContact O-CB 3.43Å; M148-A153 PolarHBondContact O-N 3.05Å; K149-A153 WeakPolarHBondContact CA-O 3.45Å
154Y98Very high97.9Very high69 Ų6948 Ų4827%0.27125%0.252SS..EExtended strand (participates in β ladder)trans-89.8121.6171.7-59.8-83.3000109.9N3 G5 V126 H127 I128N3-Y154 VanDerWaalsContact C-OH 3.22Å; N3-Y154 PolarHBondContact O-OH 2.82Å; G5-Y154 VanDerWaalsContact CA-CE2 3.43Å; G5-Y154 VanDerWaalsContact CA-CZ 3.4Å; G5-Y154 VanDerWaalsContact N-CZ 3.33Å; G5-Y154 PolarHBondContact N-OH 2.71Å; V126-Y154 PolarHBondContact O-N 3.21Å; H127-Y154 CarbonylContact C-O 3.52Å; H127-Y154 WeakPolarHBondContact CA-O 3.3Å; H127-Y154 AromaticContact CE1-CD2 3.8Å; I128-Y154 PolarHBondContact N-O 3.27Å
155L97.8Very high97.9Very high57 Ų5748 Ų4830%0.29825%0.251SS..EExtended strand (participates in β ladder)trans-81.9128.1167.7-56.4-172.5000109I128 L145 K149I128-L155 HydrophobicContact CB-CD2 3.8Å; I128-L155 HydrophobicContact CG1-CD2 4.11Å; I128-L155 HydrophobicContact CG2-CD2 4.31Å; L145-L155 HydrophobicContact CB-CD1 4.09Å; L145-L155 HydrophobicContact CB-CD2 4.43Å; L145-L155 HydrophobicContact CD2-CD2 4.04Å; K149-L155 HydrophobicContact CB-CD1 4.17Å; K149-L155 HydrophobicContact CB-CG 4.11Å; K149-L155 HydrophobicContact CD-CD1 4.29Å
156T98.3Very high97.8Very high16 Ų1648.3 Ų48.310%0.09825%0.254CS..EExtended strand (participates in β ladder)trans-137.4-177.2179.7-171.70000109.8H127 I128 V129 A130 V161H127-T156 HydrophobicContact CB-CG2 4.29Å; I128-T156 WeakPolarHBondContact O-CG2 3.21Å; I128-T156 PolarHBondContact O-N 3.17Å; V129-T156 HydrophobicContact CG2-CG2 4.33Å; A130-T156 WeakPolarHBondContact CB-O 3.31Å; A130-T156 PolarHBondContact N-O 2.89Å; T156-V161 HydrophobicContact CG2-CG2 3.36Å
157T98.6Very high97.8Very high58 Ų5851.6 Ų51.636%0.35626%0.263SS..  trans-128.9164.3175.362.90000110.6D131 E159 A160 V161D131-T157 WeakPolarHBondContact OD1-CA 3.25Å; T157-E159 PolarHBondContact O-N 2.87Å; T157-A160 PolarHBondContact O-N 3.03Å; T157-A160 VanDerWaalsContact O-N 3.17Å; T157-A160 WeakPolarHBondContact OG1-CB 3.48Å; T157-V161 WeakPolarHBondContact O-CG2 3.48Å; T157-V161 PolarHBondContact O-N 3.4Å
158T98.8Very high97.7Very high0 Ų049.3 Ų49.30%026%0.261CS..Hα-helixtrans-53.4-52.3-177.9-62.90000111R39 V40 V129 D131 A160 V161 L162R39-T158 HydrophobicContact CB-CG2 3.93Å; V40-T158 HydrophobicContact CG2-CG2 3.85Å; V129-T158 WeakPolarHBondContact CG1-OG1 3.44Å; D131-T158 VanDerWaalsContact CG-OG1 3.31Å; D131-T158 PolarHBondContact OD1-N 3.43Å; D131-T158 PolarHBondContact OD1-OG1 3.11Å; D131-T158 WeakPolarHBondContact OD2-CB 3.36Å; D131-T158 PolarHBondContact OD2-N 3.17Å; D131-T158 PolarHBondContact OD2-OG1 3.36Å; T158-A160 PolarHBondContact O-N 3.45Å; T158-V161 PolarHBondContact O-N 3Å; T158-L162 HydrophobicContact CG2-CD1 4.47Å; T158-L162 VanDerWaalsContact O-CD1 3.28Å; T158-L162 WeakPolarHBondContact O-CD1 3.34Å; T158-L162 PolarHBondContact O-N 3.34Å; T158-L162 VanDerWaalsContact O-N 3.1Å
159E98.3Very high97.6Very high77 Ų7752.5 Ų52.536%0.3629%0.287SS..Hα-helixtrans-64.6-39.7179.9-176165.6155.100112.4T157 V161 L162 L163 L181T157-E159 PolarHBondContact O-N 2.87Å; E159-V161 PolarHBondContact O-N 3.18Å; E159-L162 PolarHBondContact O-N 3.28Å; E159-L163 HydrophobicContact CG-CD1 3.95Å; E159-L163 HydrophobicContact CG-CG 4.47Å; E159-L163 WeakPolarHBondContact O-CG 3.34Å; E159-L163 PolarHBondContact O-N 3.46Å; E159-L181 HydrophobicContact CB-CD2 3.99Å; E159-L181 HydrophobicContact CG-CD1 4.06Å; E159-L181 HydrophobicContact CG-CD2 3.79Å; E159-L181 HydrophobicContact CG-CG 4.47Å
160A98.1Very high97.6Very high32 Ų3254.4 Ų54.426%0.26430%0.296SS..Hα-helixtrans-64-41.3177.800000112.1T157 T158 Q164T157-A160 PolarHBondContact O-N 3.03Å; T157-A160 VanDerWaalsContact O-N 3.17Å; T157-A160 WeakPolarHBondContact OG1-CB 3.48Å; T158-A160 PolarHBondContact O-N 3.45Å; A160-Q164 WeakPolarHBondContact O-CB 3.29Å; A160-Q164 WeakPolarHBondContact O-CG 3.4Å; A160-Q164 PolarHBondContact O-N 3.23Å
161V98.4Very high97.6Very high1 Ų150.7 Ų50.71%0.00628%0.278CS..Hα-helixtrans-61-50.7174.5168.30000110.8L7 I102 V129 T156 T157 T158 E159 L163 Q164 L165L7-V161 HydrophobicContact CD1-CB 4.32Å; L7-V161 HydrophobicContact CD1-CG1 4.08Å; L7-V161 HydrophobicContact CD1-CG2 3.97Å; I102-V161 HydrophobicContact CD1-CG1 4.07Å; I102-V161 HydrophobicContact CG2-CG1 4.38Å; V129-V161 HydrophobicContact CG2-CG2 4.06Å; T156-V161 HydrophobicContact CG2-CG2 3.36Å; T157-V161 WeakPolarHBondContact O-CG2 3.48Å; T157-V161 PolarHBondContact O-N 3.4Å; T158-V161 PolarHBondContact O-N 3Å; E159-V161 PolarHBondContact O-N 3.18Å; V161-L163 VanDerWaalsContact C-N 3.33Å; V161-L163 PolarHBondContact O-N 2.87Å; V161-Q164 PolarHBondContact O-N 2.62Å; V161-L165 HydrophobicContact CG1-CD1 3.71Å; V161-L165 HydrophobicContact CG1-CG 4.38Å; V161-L165 VanDerWaalsContact O-CG 3.27Å; V161-L165 WeakPolarHBondContact O-CG 3.45Å; V161-L165 PolarHBondContact O-N 2.86Å
162L98.4Very high97.6Very high0 Ų054.2 Ų54.20%030%0.3CS..Hα-helixtrans-58-45-177.9-94.161.1000111.9V40 A43 T158 E159 V166 I177 L180 L181V40-L162 HydrophobicContact CG2-CD1 4.42Å; A43-L162 HydrophobicContact CB-CD1 3.54Å; A43-L162 HydrophobicContact CB-CD2 4.03Å; A43-L162 HydrophobicContact CB-CG 3.55Å; T158-L162 HydrophobicContact CG2-CD1 4.47Å; T158-L162 VanDerWaalsContact O-CD1 3.28Å; T158-L162 WeakPolarHBondContact O-CD1 3.34Å; T158-L162 PolarHBondContact O-N 3.34Å; T158-L162 VanDerWaalsContact O-N 3.1Å; E159-L162 PolarHBondContact O-N 3.28Å; L162-V166 WeakPolarHBondContact O-CG2 3.22Å; L162-I177 HydrophobicContact CB-CG2 3.9Å; L162-I177 HydrophobicContact CD2-CG2 4.3Å; L162-I177 HydrophobicContact CG-CG2 4.16Å; L162-L180 HydrophobicContact CD2-CB 3.99Å; L162-L180 HydrophobicContact CD2-CD1 4.12Å; L162-L181 HydrophobicContact CB-CD1 4.32Å; L162-L181 HydrophobicContact CB-CD2 4.38Å; L162-L181 HydrophobicContact CD2-CD2 3.64Å; L162-L181 HydrophobicContact CD2-CG 4.08Å
163L97.9Very high97.7Very high70 Ų7054.4 Ų54.437%0.36629%0.29SS..Hα-helixtrans-75-34.3179.3-66.6175.6000112.9E159 V161 L165 V166 Q167 F174 L181E159-L163 HydrophobicContact CG-CD1 3.95Å; E159-L163 HydrophobicContact CG-CG 4.47Å; E159-L163 WeakPolarHBondContact O-CG 3.34Å; E159-L163 PolarHBondContact O-N 3.46Å; V161-L163 VanDerWaalsContact C-N 3.33Å; V161-L163 PolarHBondContact O-N 2.87Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-L165 PolarHBondContact O-N 3.26Å; L163-V166 PolarHBondContact O-N 3.22Å; L163-Q167 PolarHBondContact O-N 3.09Å; L163-F174 HydrophobicContact CD2-CE2 4.14Å; L163-L181 HydrophobicContact CD1-CD1 4.38Å; L163-L181 HydrophobicContact CD2-CD1 3.72Å; L163-L181 HydrophobicContact CG-CD1 3.83Å
164Q96.2Very high97.7Very high72 Ų7256 Ų5634%0.33630%0.296SS..Hα-helixtrans-67.1-32.2174.7-79.8-178.555.500112.7L7 A160 V161 Q167L7-Q164 HydrophobicContact CB-CB 4.49Å; A160-Q164 WeakPolarHBondContact O-CB 3.29Å; A160-Q164 WeakPolarHBondContact O-CG 3.4Å; A160-Q164 PolarHBondContact O-N 3.23Å; V161-Q164 PolarHBondContact O-N 2.62Å; Q164-Q167 WeakPolarHBondContact O-CG 3.19Å
165L97.8Very high97.7Very high7 Ų760.3 Ų60.34%0.03732%0.316CS..Hα-helixtrans-71.2-33.6178.8-72.4166.3000112.6L7 T9 L47 I49 I102 V161 L163L7-L165 HydrophobicContact CB-CD2 3.94Å; L7-L165 HydrophobicContact CB-CG 4.46Å; T9-L165 HydrophobicContact CG2-CB 4.15Å; T9-L165 HydrophobicContact CG2-CD2 4.02Å; L47-L165 HydrophobicContact CD1-CB 3.72Å; L47-L165 HydrophobicContact CD1-CD1 3.88Å; L47-L165 HydrophobicContact CD1-CG 4.4Å; I49-L165 HydrophobicContact CD1-CD1 3.63Å; I49-L165 HydrophobicContact CD1-CD2 3.8Å; I49-L165 HydrophobicContact CD1-CG 4.32Å; I102-L165 HydrophobicContact CD1-CD1 4.34Å; V161-L165 HydrophobicContact CG1-CD1 3.71Å; V161-L165 HydrophobicContact CG1-CG 4.38Å; V161-L165 VanDerWaalsContact O-CG 3.27Å; V161-L165 WeakPolarHBondContact O-CG 3.45Å; V161-L165 PolarHBondContact O-N 2.86Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-L165 PolarHBondContact O-N 3.26Å
166V97.3Very high97.7Very high8 Ų862.3 Ų62.35%0.04832%0.324CS..Hα-helixtrans-90.4-29.2179.5-65.60000114.2L47 L162 L163 D168 H171 F174 I177L47-V166 HydrophobicContact CD2-CG1 3.97Å; L162-V166 WeakPolarHBondContact O-CG2 3.22Å; L163-V166 PolarHBondContact O-N 3.22Å; V166-D168 PolarHBondContact O-N 3.04Å; V166-H171 HydrophobicContact CB-CB 4.02Å; V166-F174 HydrophobicContact CG2-CD2 3.9Å; V166-F174 HydrophobicContact CG2-CE2 4.46Å; V166-I177 HydrophobicContact CG1-CB 4.33Å; V166-I177 HydrophobicContact CG1-CG1 3.79Å; V166-I177 HydrophobicContact CG1-CG2 4.45Å
167Q95.3Very high97.7Very high119 Ų11961.5 Ų61.556%0.55632%0.32SS*.  trans57-26.3176.8-57.2-173.857.400118L163 Q164L163-Q167 PolarHBondContact O-N 3.09Å; Q164-Q167 WeakPolarHBondContact O-CG 3.19Å
168D96.4Very high97.7Very high85 Ų8563.9 Ų63.946%0.45533%0.326SS..SBendtrans-138.6138.1-177.1-168.7-25.5000109.5V166 K170 H171V166-D168 PolarHBondContact O-N 3.04Å; D168-K170 PolarHBondContact O-N 3.44Å; D168-K170 VanDerWaalsContact O-N 3.17Å; D168-K170 WeakPolarHBondContact OD1-CB 3.49Å; D168-K170 WeakPolarHBondContact OD1-CG 3.25Å; D168-K170 PolarHBondContact OD1-N 3.14Å; D168-H171 WeakPolarHBondContact O-CB 3.44Å; D168-H171 PolarHBondContact O-N 3Å
169A96.5Very high97.6Very high67 Ų6771.2 Ų71.255%0.55436%0.358SS*.THydrogen-bonded Turntrans-63-16.8172.500000113H171 F174A169-H171 VanDerWaalsContact C-N 3.33Å; A169-F174 HydrophobicContact CB-CD1 3.9Å; A169-F174 HydrophobicContact CB-CE1 3.69Å; A169-F174 HydrophobicContact CB-CG 4.45Å; A169-F174 HydrophobicContact CB-CZ 4.09Å; A169-F174 WeakPolarHBondContact O-CD1 3.11Å
170K97.7Very high97.6Very high178 Ų17868.4 Ų68.477%0.77435%0.346SS*.THydrogen-bonded Turntrans-81.7-6.8172.2-62.9177.3-177174.30113.7D168D168-K170 PolarHBondContact O-N 3.44Å; D168-K170 VanDerWaalsContact O-N 3.17Å; D168-K170 WeakPolarHBondContact OD1-CB 3.49Å; D168-K170 WeakPolarHBondContact OD1-CG 3.25Å; D168-K170 PolarHBondContact OD1-N 3.14Å
171H97.9Very high97.5Very high57 Ų5768.2 Ų68.226%0.26434%0.34SS..SBendtrans-56135.6177.3-174.3-82.4000109.8V166 D168 A169 N173 F174V166-H171 HydrophobicContact CB-CB 4.02Å; D168-H171 WeakPolarHBondContact O-CB 3.44Å; D168-H171 PolarHBondContact O-N 3Å; A169-H171 VanDerWaalsContact C-N 3.33Å; H171-N173 PolarHBondContact ND1-N 3.01Å; H171-N173 VanDerWaalsContact ND1-N 3.15Å; H171-N173 PolarHBondContact O-N 3Å; H171-N173 VanDerWaalsContact O-N 3.09Å; H171-F174 HydrophobicContact CB-CB 4.21Å; H171-F174 VanDerWaalsContact O-CB 3.25Å; H171-F174 WeakPolarHBondContact O-CB 3.39Å; H171-F174 PolarHBondContact O-N 2.83Å
172P97.8Very high97.3Very high115 Ų11571.4 Ų71.475%0.74737%0.366SS*.THydrogen-bonded Turntrans-52.7-38.4-174.6-2935000113.9
173N98Very high97.1Very high49 Ų4977.9 Ų77.926%0.26240%0.397SS..THydrogen-bonded Turntrans-91.33.1-179.2-59.4-12.8000113.9I46 L47 H171 K175 E176 I177I46-N173 HydrophobicContact CG2-CB 3.76Å; I46-N173 PolarHBondContact O-ND2 2.8Å; L47-N173 HydrophobicContact CD2-CB 4.11Å; H171-N173 PolarHBondContact ND1-N 3.01Å; H171-N173 VanDerWaalsContact ND1-N 3.15Å; H171-N173 PolarHBondContact O-N 3Å; H171-N173 VanDerWaalsContact O-N 3.09Å; N173-K175 VanDerWaalsContact C-N 3.3Å; N173-K175 PolarHBondContact O-N 2.96Å; N173-E176 PolarHBondContact O-N 2.92Å; N173-I177 PolarHBondContact O-N 2.86Å; N173-I177 VanDerWaalsContact O-N 3.09Å
174F98.1Very high96.9Very high39 Ų3979.2 Ų79.217%0.17141%0.41CS..Hα-helixtrans-57.8-41.4-174.3176.5-112.6000112.5L163 V166 A169 H171 E176 I177 Q178L163-F174 HydrophobicContact CD2-CE2 4.14Å; V166-F174 HydrophobicContact CG2-CD2 3.9Å; V166-F174 HydrophobicContact CG2-CE2 4.46Å; A169-F174 HydrophobicContact CB-CD1 3.9Å; A169-F174 HydrophobicContact CB-CE1 3.69Å; A169-F174 HydrophobicContact CB-CG 4.45Å; A169-F174 HydrophobicContact CB-CZ 4.09Å; A169-F174 WeakPolarHBondContact O-CD1 3.11Å; H171-F174 HydrophobicContact CB-CB 4.21Å; H171-F174 VanDerWaalsContact O-CB 3.25Å; H171-F174 WeakPolarHBondContact O-CB 3.39Å; H171-F174 PolarHBondContact O-N 2.83Å; F174-E176 PolarHBondContact O-N 2.65Å; F174-I177 PolarHBondContact O-N 3.27Å; F174-Q178 HydrophobicContact CE1-CB 4.45Å; F174-Q178 HydrophobicContact CZ-CB 4.39Å; F174-Q178 VanDerWaalsContact O-CB 3.31Å; F174-Q178 WeakPolarHBondContact O-CB 3.43Å; F174-Q178 PolarHBondContact O-N 3.31Å
175K98Very high96.9Very high159 Ų15976.9 Ų76.969%0.69140%0.402SS*.Hα-helixtrans-61.3-32.6178.7-72-174.9178.1178.70112.9N173 K179N173-K175 VanDerWaalsContact C-N 3.3Å; N173-K175 PolarHBondContact O-N 2.96Å; K175-K179 WeakPolarHBondContact O-CG 3.4Å; K175-K179 PolarHBondContact O-N 2.73Å
176E98.2Very high96.8Very high99 Ų9978 Ų7846%0.46341%0.409SS..Hα-helixtrans-75.6-42.8177.1-63.4-174.1-175.800110.9I46 N173 F174 Q178 K179I46-E176 HydrophobicContact CD1-CB 4.04Å; I46-E176 HydrophobicContact CG2-CB 4.04Å; I46-E176 WeakPolarHBondContact CG2-OE2 3.28Å; N173-E176 PolarHBondContact O-N 2.92Å; F174-E176 PolarHBondContact O-N 2.65Å; E176-Q178 PolarHBondContact O-N 3.1Å; E176-K179 WeakPolarHBondContact O-CB 3.22Å; E176-K179 PolarHBondContact O-N 2.61Å
177I98.3Very high96.8Very high0 Ų082.9 Ų82.90%044%0.435CS..Hα-helixtrans-61.5-43.4174-63.4-57000111.5A43 I46 L47 L162 V166 N173 F174 K179 L180 L181A43-I177 HydrophobicContact CB-CD1 3.74Å; I46-I177 HydrophobicContact CB-CD1 4.21Å; I46-I177 HydrophobicContact CD1-CD1 4.2Å; I46-I177 HydrophobicContact CG2-CD1 3.98Å; I46-I177 HydrophobicContact CG2-CG1 4.39Å; L47-I177 HydrophobicContact CD1-CD1 4.03Å; L47-I177 HydrophobicContact CD2-CD1 4.44Å; L47-I177 HydrophobicContact CD2-CG1 4.37Å; L47-I177 HydrophobicContact CG-CD1 4.08Å; L162-I177 HydrophobicContact CB-CG2 3.9Å; L162-I177 HydrophobicContact CD2-CG2 4.3Å; L162-I177 HydrophobicContact CG-CG2 4.16Å; V166-I177 HydrophobicContact CG1-CB 4.33Å; V166-I177 HydrophobicContact CG1-CG1 3.79Å; V166-I177 HydrophobicContact CG1-CG2 4.45Å; N173-I177 PolarHBondContact O-N 2.86Å; N173-I177 VanDerWaalsContact O-N 3.09Å; F174-I177 PolarHBondContact O-N 3.27Å; I177-K179 PolarHBondContact O-N 3.28Å; I177-L180 HydrophobicContact CD1-CD1 4.34Å; I177-L180 VanDerWaalsContact O-CB 3.31Å; I177-L180 WeakPolarHBondContact O-CB 3.02Å; I177-L180 PolarHBondContact O-N 3.43Å; I177-L181 HydrophobicContact CG2-CD1 4.43Å; I177-L181 PolarHBondContact O-N 2.88Å
178Q97.6Very high96.8Very high107 Ų10777.3 Ų77.350%0.541%0.409SS..Hα-helixtrans-58.6-35.4177.7-174.3-176.240.500112.1F174 E176 L180 L181 A182F174-Q178 HydrophobicContact CE1-CB 4.45Å; F174-Q178 HydrophobicContact CZ-CB 4.39Å; F174-Q178 VanDerWaalsContact O-CB 3.31Å; F174-Q178 WeakPolarHBondContact O-CB 3.43Å; F174-Q178 PolarHBondContact O-N 3.31Å; E176-Q178 PolarHBondContact O-N 3.1Å; Q178-L180 VanDerWaalsContact C-N 3.25Å; Q178-L180 PolarHBondContact O-N 2.82Å; Q178-L181 CarbonylContact O-C 3.6Å; Q178-L181 WeakPolarHBondContact O-CA 3.49Å; Q178-L181 PolarHBondContact O-N 3.17Å; Q178-A182 PolarHBondContact O-N 3.23Å; Q178-A182 VanDerWaalsContact O-N 3.13Å
179K98.1Very high96.7Very high154 Ų15474.1 Ų74.167%0.6740%0.396SS*.Hα-helixtrans-62.8-33.1176-71.6169.5-174.9177.80112.2K175 E176 I177 L181 A182K175-K179 WeakPolarHBondContact O-CG 3.4Å; K175-K179 PolarHBondContact O-N 2.73Å; E176-K179 WeakPolarHBondContact O-CB 3.22Å; E176-K179 PolarHBondContact O-N 2.61Å; I177-K179 PolarHBondContact O-N 3.28Å; K179-L181 PolarHBondContact O-N 2.62Å; K179-A182 WeakPolarHBondContact O-CB 3.26Å; K179-A182 PolarHBondContact O-N 3.4Å
180L97.5Very high96.4Very high18 Ų1871.9 Ų71.99%0.09438%0.375CS..Hα-helixtrans-69.2-22175.3-50.5-174.6000112.5Q42 A43 I46 L162 I177 Q178Q42-L180 HydrophobicContact CB-CD1 4.12Å; Q42-L180 HydrophobicContact CB-CD2 4.43Å; Q42-L180 HydrophobicContact CG-CD1 4.07Å; Q42-L180 HydrophobicContact CG-CD2 3.84Å; Q42-L180 VanDerWaalsContact OE1-CD2 3.27Å; A43-L180 HydrophobicContact CB-CD1 3.89Å; I46-L180 HydrophobicContact CD1-CD1 3.97Å; I46-L180 HydrophobicContact CD1-CG 4.48Å; L162-L180 HydrophobicContact CD2-CB 3.99Å; L162-L180 HydrophobicContact CD2-CD1 4.12Å; I177-L180 HydrophobicContact CD1-CD1 4.34Å; I177-L180 VanDerWaalsContact O-CB 3.31Å; I177-L180 WeakPolarHBondContact O-CB 3.02Å; I177-L180 PolarHBondContact O-N 3.43Å; Q178-L180 VanDerWaalsContact C-N 3.25Å; Q178-L180 PolarHBondContact O-N 2.82Å
181L95.8Very high95.7Very high28 Ų2870.1 Ų70.115%0.14737%0.373CS..THydrogen-bonded Turntrans-102.19.1179.8-56.3178.4000112.6E159 L162 L163 I177 Q178 K179 Q183E159-L181 HydrophobicContact CB-CD2 3.99Å; E159-L181 HydrophobicContact CG-CD1 4.06Å; E159-L181 HydrophobicContact CG-CD2 3.79Å; E159-L181 HydrophobicContact CG-CG 4.47Å; L162-L181 HydrophobicContact CB-CD1 4.32Å; L162-L181 HydrophobicContact CB-CD2 4.38Å; L162-L181 HydrophobicContact CD2-CD2 3.64Å; L162-L181 HydrophobicContact CD2-CG 4.08Å; L163-L181 HydrophobicContact CD1-CD1 4.38Å; L163-L181 HydrophobicContact CD2-CD1 3.72Å; L163-L181 HydrophobicContact CG-CD1 3.83Å; I177-L181 HydrophobicContact CG2-CD1 4.43Å; I177-L181 PolarHBondContact O-N 2.88Å; Q178-L181 CarbonylContact O-C 3.6Å; Q178-L181 WeakPolarHBondContact O-CA 3.49Å; Q178-L181 PolarHBondContact O-N 3.17Å; K179-L181 PolarHBondContact O-N 2.62Å; L181-Q183 PolarHBondContact O-N 2.96Å; L181-Q183 VanDerWaalsContact O-N 3.1Å
182A94.3Very high94.6Very high68 Ų6871 Ų7156%0.56239%0.39SS*.SBendtrans-60.9-23.3-179.700000112.6Q178 K179Q178-A182 PolarHBondContact O-N 3.23Å; Q178-A182 VanDerWaalsContact O-N 3.13Å; K179-A182 WeakPolarHBondContact O-CB 3.26Å; K179-A182 PolarHBondContact O-N 3.4Å
183Q94.1Very high92.9Very high136 Ų13666.6 Ų66.664%0.63636%0.359SS*.SBendtrans-124.6144.6169.5-62.7-60.6-54.100109R39 L181R39-Q183 PolarHBondContact NH1-O 3.16Å; L181-Q183 PolarHBondContact O-N 2.96Å; L181-Q183 VanDerWaalsContact O-N 3.1Å
184P94.6Very high91.4Very high98 Ų9868.7 Ų68.764%0.63637%0.366SS*.  trans-51.1150.2173.2-25.434.1000111.9R39 P186R39-P184 PolarHBondContact NH1-O 3.49Å; R39-P184 PolarHBondContact NH2-O 3.13Å; P184-P186 WeakPolarHBondContact O-CD 3.47Å
185S95.1Very high89.7Confident24 Ų2471.2 Ų71.217%0.16839%0.389CS..  trans-56.2131.5167.7-68.30000109.8N36 D187N36-S185 WeakPolarHBondContact OD1-CB 3.21Å; S185-D187 PolarHBondContact O-N 3.41Å
186P96.9Very high87.5Confident31 Ų3167.8 Ų67.820%0.20139%0.39CS..  trans-44.9131.1169.8-32.930.4000112.8N32 N36 P184 T188N32-P186 HydrophobicContact CB-CB 3.74Å; N36-P186 PolarHBondContact ND2-O 3.08Å; N36-P186 VanDerWaalsContact ND2-O 3.11Å; N36-P186 WeakPolarHBondContact OD1-CD 3.29Å; P184-P186 WeakPolarHBondContact O-CD 3.47Å; P186-T188 PolarHBondContact O-N 3.41Å
187D96.1Very high85.3Confident110 Ų11071.1 Ų71.159%0.58841%0.41SS*.  trans-65134.2175-172.13.5000109.9N32 S185 G189N32-D187 PolarHBondContact ND2-O 3.49Å; S185-D187 PolarHBondContact O-N 3.41Å; D187-G189 PolarHBondContact OD1-N 2.9Å
188T96.4Very high84.6Confident2 Ų274.7 Ų74.71%0.01243%0.431CS..  trans-117.117.8178.163.50000112.2F28 Q29 N32 I33 D131 R141 P186F28-T188 WeakPolarHBondContact CE1-O 3.46Å; Q29-T188 HydrophobicContact CB-CG2 4.48Å; N32-T188 HydrophobicContact CB-CG2 3.87Å; I33-T188 HydrophobicContact CD1-CG2 3.79Å; I33-T188 HydrophobicContact CG1-CG2 4.22Å; D131-T188 WeakPolarHBondContact O-CG2 3.46Å; R141-T188 PolarHBondContact NH1-O 3.13Å; R141-T188 PolarHBondContact NH2-OG1 3.08Å; P186-T188 PolarHBondContact O-N 3.41Å
189G93.2Very high83.9Confident17 Ų1772.9 Ų72.918%0.17543%0.427CS..SBendtrans75.622.1176.300000114.2D187 F193D187-G189 PolarHBondContact OD1-N 2.9Å; G189-F193 WeakPolarHBondContact O-CB 3.29Å
190L90.6Very high83.1Confident20 Ų2068.4 Ų68.411%0.10541%0.413CS..Hα-helixtrans-71.7-35.1-178.6-74.5172.7000113.2A130 D131 L145 F193 F194A130-L190 HydrophobicContact CB-CD1 4.05Å; D131-L190 HydrophobicContact CB-CD1 3.9Å; L145-L190 HydrophobicContact CD1-CD2 4.16Å; L190-F193 HydrophobicContact CD2-CD1 4.49Å; L190-F193 VanDerWaalsContact O-CB 3.32Å; L190-F193 WeakPolarHBondContact O-CB 3.07Å; L190-F193 PolarHBondContact O-N 2.93Å; L190-F194 HydrophobicContact CB-CE2 4.44Å; L190-F194 HydrophobicContact CD2-CE2 4.24Å; L190-F194 WeakPolarHBondContact O-CD2 3.16Å; L190-F194 PolarHBondContact O-N 2.85Å
191L83.2Confident82.3Confident141 Ų14171.4 Ų71.474%0.73843%0.432SS*.Hα-helixtrans-72.2-48.6-176.7-73.3177.8000112.5F193 F194 S195L191-F193 PolarHBondContact O-N 2.59Å; L191-F194 PolarHBondContact O-N 2.73Å; L191-S195 PolarHBondContact O-N 2.87Å; L191-S195 PolarHBondContact O-OG 3.09Å; L191-S195 VanDerWaalsContact O-OG 3.11Å
192A73.9Confident81.5Confident76 Ų7674.1 Ų74.163%0.62845%0.45SS*.Hα-helixtrans-56.5-23.1174.600000112.6S195A192-S195 WeakPolarHBondContact CA-OG 3.43Å; A192-S195 PolarHBondContact O-OG 2.78Å; A192-S195 VanDerWaalsContact O-OG 3.11Å
193F63.3Low80.6Confident22 Ų2274.5 Ų74.510%0.09644%0.443CS..Hα-helixtrans-86.6-39.3-177.6174.5-114.4000113.9Q138 R141 L142 G189 L190 L191Q138-F193 HydrophobicContact CB-CD2 4.39Å; Q138-F193 HydrophobicContact CB-CE2 3.92Å; Q138-F193 WeakPolarHBondContact O-CE2 3.11Å; Q138-F193 WeakPolarHBondContact O-CZ 3.13Å; R141-F193 HydrophobicContact CB-CZ 4.28Å; L142-F193 HydrophobicContact CB-CE1 3.78Å; L142-F193 HydrophobicContact CB-CE2 3.45Å; L142-F193 VanDerWaalsContact CB-CE2 3.45Å; L142-F193 HydrophobicContact CB-CZ 3.09Å; L142-F193 HydrophobicContact CD1-CD1 3.68Å; L142-F193 HydrophobicContact CD1-CD2 4.34Å; L142-F193 HydrophobicContact CD1-CE1 3.24Å; L142-F193 HydrophobicContact CD1-CE2 3.96Å; L142-F193 HydrophobicContact CD1-CG 4.28Å; L142-F193 HydrophobicContact CD1-CZ 3.5Å; L142-F193 HydrophobicContact CD2-CE2 4.11Å; L142-F193 HydrophobicContact CD2-CZ 4.36Å; L142-F193 HydrophobicContact CG-CE1 4.04Å; L142-F193 HydrophobicContact CG-CE2 4.02Å; L142-F193 HydrophobicContact CG-CZ 3.76Å; L142-F193 VanDerWaalsContact N-CZ 3.26Å; G189-F193 WeakPolarHBondContact O-CB 3.29Å; L190-F193 HydrophobicContact CD2-CD1 4.49Å; L190-F193 VanDerWaalsContact O-CB 3.32Å; L190-F193 WeakPolarHBondContact O-CB 3.07Å; L190-F193 PolarHBondContact O-N 2.93Å; L191-F193 PolarHBondContact O-N 2.59Å
194F66.8Low79.6Confident94 Ų9470.1 Ų70.141%0.41243%0.429SS..Hα-helixtrans-78.2-23173-73.2-64.2000113.2L142 L190 L191 A196L142-F194 HydrophobicContact CD1-CE1 4.29Å; L190-F194 HydrophobicContact CB-CE2 4.44Å; L190-F194 HydrophobicContact CD2-CE2 4.24Å; L190-F194 WeakPolarHBondContact O-CD2 3.16Å; L190-F194 PolarHBondContact O-N 2.85Å; L191-F194 PolarHBondContact O-N 2.73Å; F194-A196 PolarHBondContact O-N 2.92Å
195S61.5Low78.5Confident92 Ų9268 Ų6864%0.64341%0.413SS*.THydrogen-bonded Turntrans-75.9-9.2175.659.10000114.4L191 A192L191-S195 PolarHBondContact O-N 2.87Å; L191-S195 PolarHBondContact O-OG 3.09Å; L191-S195 VanDerWaalsContact O-OG 3.11Å; A192-S195 WeakPolarHBondContact CA-OG 3.43Å; A192-S195 PolarHBondContact O-OG 2.78Å; A192-S195 VanDerWaalsContact O-OG 3.11Å
196A53Low77.1Confident87 Ų8771.7 Ų71.772%0.71943%0.433SS*.THydrogen-bonded Turntrans-95.23.4179.600000113.4F194F194-A196 PolarHBondContact O-N 2.92Å
197L50.2Low75.3Confident168 Ų16875.4 Ų75.488%0.8845%0.454SS*.  trans-106.40172.4-75.6170.8000109.9L142L142-L197 HydrophobicContact CD1-CD1 3.79Å; L142-L197 HydrophobicContact CD2-CD1 4Å; L142-L197 HydrophobicContact CD2-CD2 4.35Å; L142-L197 HydrophobicContact CD2-CG 4.27Å; L142-L197 HydrophobicContact CG-CD1 4.3Å

Retrieved 197 of 197 residues in 137.9 ms (Link to these results)

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