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Peroxiredoxin-6

Thiol-specific peroxidase that catalyzes the reduction of hydrogen peroxide and organic hydroperoxides to water and alcohols, respectively.

AlphaFold DB (A0A2K6ASN2), UniProt , Accession A0A096NR25, Species PAPAN (Papio anubis, Olive baboon), Gene PRDX6, Length 224 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
1M42.8Very low84.3Confident236 Ų23688.5 Ų88.5100%1.16353%0.528SS*.  01330-69.4-173.1-98.800107G3M1-G3 PolarHBondContact O-N 2.66Å
2P51.6Low85.4Confident141 Ų14183.8 Ų83.892%0.91650%0.501SS*.  trans-74.5101.6-178.129.4-29.3000109.8
3G69.9Low86.4Confident52 Ų5282.6 Ų82.654%0.53649%0.491SS..SBendtrans70.2115.9156.300000118.8M1M1-G3 PolarHBondContact O-N 2.66Å
4G81.6Confident87.2Confident43 Ų4378 Ų7844%0.44346%0.462SS..  trans106.2147.5161.800000115.2
5L93.6Very high88Confident29 Ų2978.2 Ų78.215%0.15246%0.456CS..PPolyproline II helixtrans-98.6139.9172.6-68.9175.4000110.6D9 L114 F135 F137 L143L5-D9 HydrophobicContact CD2-CB 4.12Å; L5-L114 HydrophobicContact CD1-CD2 3.66Å; L5-L114 HydrophobicContact CG-CD2 4.15Å; L5-F135 HydrophobicContact CB-CE1 4.37Å; L5-F135 HydrophobicContact CD1-CE1 4.48Å; L5-F137 HydrophobicContact CD1-CE1 3.95Å; L5-F137 HydrophobicContact CD1-CZ 3.91Å; L5-L143 HydrophobicContact CB-CD2 3.78Å
6L96.8Very high88.6Confident126 Ų12673.9 Ų73.966%0.6643%0.433SS*.PPolyproline II helixtrans-99.9160.7171.8-58.4179000111.2G8 D9 L143L6-G8 PolarHBondContact O-N 3.46Å; L6-D9 WeakPolarHBondContact CB-OD2 3.48Å; L6-D9 PolarHBondContact N-OD2 2.79Å; L6-D9 VanDerWaalsContact O-CB 3.29Å; L6-D9 WeakPolarHBondContact O-CB 3.45Å; L6-D9 PolarHBondContact O-N 3.21Å; L6-L143 WeakPolarHBondContact O-CD2 3.16Å
7L98.2Very high89.2Confident123 Ų12374.7 Ų74.764%0.64444%0.435SS*.THydrogen-bonded Turntrans-58128.3175.6-69.6-179000110.8D9 L143 K144L7-D9 VanDerWaalsContact C-N 3.34Å; L7-L143 HydrophobicContact CD2-CG 4.42Å; L7-K144 WeakPolarHBondContact CD2-O 3.32Å
8G97.6Very high89.7Confident36 Ų3670.8 Ų70.837%0.37141%0.412SS..THydrogen-bonded Turntrans89.4-9.7-177.800000115L6 K142 L143L6-G8 PolarHBondContact O-N 3.46Å; G8-K142 VanDerWaalsContact O-CD 3.32Å; G8-K142 WeakPolarHBondContact O-CD 3.37Å; G8-K142 WeakPolarHBondContact O-CG 3.21Å; G8-L143 PolarHBondContact N-O 3.17Å
9D98.3Very high90.2Very high63 Ų6368.6 Ų68.634%0.33740%0.4SS..PPolyproline II helixtrans-64.6140.6172.6-71.7-12.1000110.2L5 L6 L7 K142 L143L5-D9 HydrophobicContact CD2-CB 4.12Å; L6-D9 WeakPolarHBondContact CB-OD2 3.48Å; L6-D9 PolarHBondContact N-OD2 2.79Å; L6-D9 VanDerWaalsContact O-CB 3.29Å; L6-D9 WeakPolarHBondContact O-CB 3.45Å; L6-D9 PolarHBondContact O-N 3.21Å; L7-D9 VanDerWaalsContact C-N 3.34Å; D9-K142 CarbonylContact O-C 3.58Å; D9-K142 VanDerWaalsContact O-CA 3.25Å; D9-K142 WeakPolarHBondContact O-CA 3.39Å; D9-L143 PolarHBondContact O-N 3.34Å
10E98.4Very high90.6Very high122 Ų12270.3 Ų70.357%0.5741%0.411SS*.BIsolated β-bridgetrans-72.1133.4173-168.2174.8166.900110H26 K141E10-H26 IonicContact OE1-CE1 2.68Å; E10-H26 PolarHBondContact OE1-CE1 3.18Å; E10-H26 VanDerWaalsContact OE1-CE1 3.3Å; E10-K141 HydrophobicContact CG-CB 4.01Å
11A98.2Very high91Very high2 Ų268.7 Ų68.72%0.01741%0.409CS..PPolyproline II helixtrans-59136.6176.200000110.1N13 F25 H26 F137 K141A11-N13 PolarHBondContact O-N 3.35Å; A11-F25 HydrophobicContact CB-CD1 4.01Å; A11-F25 HydrophobicContact CB-CE1 3.74Å; A11-H26 PolarHBondContact O-NE2 3.13Å; A11-F137 HydrophobicContact CB-CD1 3.71Å; A11-F137 HydrophobicContact CB-CE1 3.55Å; A11-F137 HydrophobicContact CB-CE2 4.39Å; A11-F137 HydrophobicContact CB-CG 4.21Å; A11-F137 HydrophobicContact CB-CZ 3.91Å; A11-K141 WeakPolarHBondContact CB-O 3.26Å; A11-K141 PolarHBondContact N-O 3.06Å
12P97.6Very high93.6Very high32 Ų3265.8 Ų65.821%0.20839%0.385CS..PPolyproline II helixtrans-58.5131.2172.9-22.733.2000110.8F14 L113 L114P12-F14 HydrophobicContact CB-CD1 4.43Å; P12-F14 VanDerWaalsContact O-CD1 3.24Å; P12-F14 WeakPolarHBondContact O-CD1 3.44Å; P12-F14 PolarHBondContact O-N 2.93Å; P12-L113 HydrophobicContact CB-CD2 3.8Å; P12-L113 HydrophobicContact CG-CD2 4.01Å; P12-L113 HydrophobicContact CG-CG 4.21Å; P12-L114 HydrophobicContact CG-CD2 3.84Å
13N98.2Very high95.9Very high69 Ų6960.1 Ų60.137%0.36935%0.347SS..  trans-8360.4177.3-162.99.5000111.3A11 R24 F25 H26A11-N13 PolarHBondContact O-N 3.35Å; N13-R24 WeakPolarHBondContact OD1-CG 3.33Å; N13-F25 PolarHBondContact OD1-N 3.08Å; N13-H26 VanDerWaalsContact OD1-CB 3.27Å; N13-H26 WeakPolarHBondContact OD1-CB 3.32Å; N13-H26 VanDerWaalsContact OD1-CG 3.3Å; N13-H26 PolarHBondContact OD1-N 2.64Å
14F98.2Very high97.2Very high18 Ų1863 Ų638%0.07934%0.342CS..  trans-71.7161.2-176.661.5-99.5000112P12 A16 R24 F25 L36 I103 L110P12-F14 HydrophobicContact CB-CD1 4.43Å; P12-F14 VanDerWaalsContact O-CD1 3.24Å; P12-F14 WeakPolarHBondContact O-CD1 3.44Å; P12-F14 PolarHBondContact O-N 2.93Å; F14-A16 HydrophobicContact CD2-CB 4.02Å; F14-A16 HydrophobicContact CE2-CB 4.13Å; F14-R24 WeakPolarHBondContact O-CA 3.27Å; F14-F25 HydrophobicContact CD1-CB 3.95Å; F14-F25 HydrophobicContact CD1-CD1 4.39Å; F14-F25 HydrophobicContact CD1-CG 4.16Å; F14-F25 HydrophobicContact CD2-CB 4.14Å; F14-F25 HydrophobicContact CE1-CB 3.74Å; F14-F25 AromaticContact CE1-CD1 3.74Å; F14-F25 HydrophobicContact CE1-CD1 3.74Å; F14-F25 AromaticContact CE1-CD2 3.8Å; F14-F25 HydrophobicContact CE1-CD2 3.8Å; F14-F25 HydrophobicContact CE1-CE1 4.28Å; F14-F25 HydrophobicContact CE1-CE2 4.32Å; F14-F25 AromaticContact CE1-CG 3.48Å; F14-F25 HydrophobicContact CE1-CG 3.48Å; F14-F25 VanDerWaalsContact CE1-CG 3.48Å; F14-F25 HydrophobicContact CE2-CB 3.94Å; F14-F25 HydrophobicContact CE2-CD2 4.04Å; F14-F25 HydrophobicContact CE2-CG 4.17Å; F14-F25 HydrophobicContact CG-CB 4.15Å; F14-F25 HydrophobicContact CZ-CB 3.74Å; F14-F25 HydrophobicContact CZ-CD1 4.18Å; F14-F25 AromaticContact CZ-CD2 3.34Å; F14-F25 HydrophobicContact CZ-CD2 3.34Å; F14-F25 AromaticContact CZ-CE2 3.93Å; F14-F25 HydrophobicContact CZ-CE2 3.93Å; F14-F25 AromaticContact CZ-CG 3.49Å; F14-F25 HydrophobicContact CZ-CG 3.49Å; F14-F25 VanDerWaalsContact CZ-CG 3.49Å; F14-F25 PolarHBondContact O-N 2.82Å; F14-L36 HydrophobicContact CE1-CD1 4.12Å; F14-L36 HydrophobicContact CZ-CD1 4Å; F14-I103 HydrophobicContact CE2-CD1 4.01Å; F14-I103 HydrophobicContact CZ-CD1 4Å; F14-L110 HydrophobicContact CB-CD2 3.59Å; F14-L110 HydrophobicContact CD1-CD2 3.87Å; F14-L110 HydrophobicContact CD2-CD1 3.77Å; F14-L110 HydrophobicContact CD2-CD2 3.87Å; F14-L110 HydrophobicContact CE2-CD1 3.76Å; F14-L110 HydrophobicContact CG-CD1 4.23Å; F14-L110 HydrophobicContact CG-CD2 3.51Å; F14-L110 HydrophobicContact CZ-CD1 4.2Å
15E98.4Very high98.1Very high81 Ų8161 Ų6138%0.37932%0.321SS..EExtended strand (participates in β ladder)trans-112.6135166-66.6-178.4-170.200109.5R22 I23 R24E15-R22 IonicContact OE2-CZ 3.95Å; E15-R22 VanDerWaalsContact OE2-CZ 3.27Å; E15-R22 IonicContact OE2-NE 2.73Å; E15-R22 PolarHBondContact OE2-NE 3.28Å; E15-R22 IonicContact OE2-NH2 2.69Å; E15-R22 PolarHBondContact OE2-NH2 2.72Å; E15-I23 WeakPolarHBondContact CA-O 3.49Å; E15-R24 HydrophobicContact CG-CB 4.11Å; E15-R24 HydrophobicContact CG-CG 4.31Å; E15-R24 IonicContact OE1-CZ 2.84Å; E15-R24 VanDerWaalsContact OE1-CZ 3.29Å; E15-R24 IonicContact OE1-NE 3.29Å; E15-R24 PolarHBondContact OE1-NE 2.86Å; E15-R24 VanDerWaalsContact OE1-NE 3.08Å; E15-R24 IonicContact OE1-NH2 2.86Å; E15-R24 PolarHBondContact OE1-NH2 2.68Å
16A98.3Very high98.3Very high10 Ų1060.9 Ų60.98%0.08332%0.32CS..EExtended strand (participates in β ladder)trans-146.8153.1-179.900000111.4F14 R22 I23 I103 L110F14-A16 HydrophobicContact CD2-CB 4.02Å; F14-A16 HydrophobicContact CE2-CB 4.13Å; A16-R22 WeakPolarHBondContact O-CA 3.44Å; A16-I23 PolarHBondContact N-O 2.76Å; A16-I23 VanDerWaalsContact N-O 3.14Å; A16-I23 PolarHBondContact O-N 2.75Å; A16-I103 HydrophobicContact CB-CG2 3.65Å; A16-L110 HydrophobicContact CB-CD1 4.09Å
17N98.6Very high98.4Very high87 Ų8760.1 Ų60.147%0.46532%0.316SS..EExtended strand (participates in β ladder)trans-79143168-66.1-44.7000109.2V76 D104N17-V76 HydrophobicContact CB-CG2 4.09Å; N17-D104 PolarHBondContact O-N 3.05Å
18T98.8Very high98.4Very high5 Ų556.3 Ų56.33%0.03129%0.294CS..EExtended strand (participates in β ladder)trans-140.2172179.675.90000110.3V20 G21 I23 I102 I103T18-V20 PolarHBondContact O-N 3.08Å; T18-V20 WeakPolarHBondContact OG1-CG2 3.44Å; T18-V20 PolarHBondContact OG1-N 3.37Å; T18-G21 WeakPolarHBondContact CB-O 3.42Å; T18-G21 PolarHBondContact N-O 3.32Å; T18-G21 PolarHBondContact O-N 3.1Å; T18-G21 PolarHBondContact OG1-O 2.94Å; T18-I23 HydrophobicContact CG2-CD1 3.85Å; T18-I23 HydrophobicContact CG2-CG1 3.83Å; T18-I23 HydrophobicContact CG2-CG2 4.18Å; T18-I102 WeakPolarHBondContact CA-O 3.27Å; T18-I102 WeakPolarHBondContact CB-O 3.41Å; T18-I103 HydrophobicContact CG2-CB 4.47Å; T18-I103 HydrophobicContact CG2-CG1 3.88Å
19T98.7Very high98.5Very high29 Ų2954.6 Ų54.618%0.17828%0.277CS..THydrogen-bonded Turntrans-58.4-12.5172.753.80000114.9H79 L80 P101 I102T19-H79 HydrophobicContact CG2-CB 3.43Å; T19-H79 VanDerWaalsContact CG2-CB 3.43Å; T19-L80 HydrophobicContact CG2-CD2 4.03Å; T19-L80 HydrophobicContact CG2-CG 4.18Å; T19-P101 WeakPolarHBondContact OG1-CA 3.13Å; T19-I102 HydrophobicContact CG2-CB 4.01Å; T19-I102 HydrophobicContact CG2-CG1 4.36Å; T19-I102 PolarHBondContact N-O 3.03Å; T19-I102 VanDerWaalsContact N-O 3.1Å; T19-I102 PolarHBondContact OG1-N 2.65Å; T19-I102 VanDerWaalsContact OG1-N 3.11Å
20V98.3Very high98.5Very high102 Ų10252.8 Ų52.862%0.61827%0.273SS*.THydrogen-bonded Turntrans-115.516.5175.9-54.20000113.2T18 P101T18-V20 PolarHBondContact O-N 3.08Å; T18-V20 WeakPolarHBondContact OG1-CG2 3.44Å; T18-V20 PolarHBondContact OG1-N 3.37Å; V20-P101 HydrophobicContact CG1-CB 4.38Å; V20-P101 HydrophobicContact CG2-CB 3.85Å; V20-P101 HydrophobicContact CG2-CG 4.43Å
21G98.3Very high98.5Very high37 Ų3753.5 Ų53.538%0.38128%0.281SS..EExtended strand (participates in β ladder)trans101.8-173-177.600000113.3T18T18-G21 WeakPolarHBondContact CB-O 3.42Å; T18-G21 PolarHBondContact N-O 3.32Å; T18-G21 PolarHBondContact O-N 3.1Å; T18-G21 PolarHBondContact OG1-O 2.94Å
22R98.5Very high98.5Very high174 Ų17454 Ų5466%0.65728%0.284SS*.EExtended strand (participates in β ladder)trans-75.4132.9-179.2-171.4174.4178.1168.51.7110.5E15 A16E15-R22 IonicContact OE2-CZ 3.95Å; E15-R22 VanDerWaalsContact OE2-CZ 3.27Å; E15-R22 IonicContact OE2-NE 2.73Å; E15-R22 PolarHBondContact OE2-NE 3.28Å; E15-R22 IonicContact OE2-NH2 2.69Å; E15-R22 PolarHBondContact OE2-NH2 2.72Å; A16-R22 WeakPolarHBondContact O-CA 3.44Å
23I98.7Very high98.6Very high22 Ų2253.8 Ų53.811%0.11328%0.279CS..EExtended strand (participates in β ladder)trans-119.8158.8176.869.7169.9000110.9E15 A16 T18 F28 I69E15-I23 WeakPolarHBondContact CA-O 3.49Å; A16-I23 PolarHBondContact N-O 2.76Å; A16-I23 VanDerWaalsContact N-O 3.14Å; A16-I23 PolarHBondContact O-N 2.75Å; T18-I23 HydrophobicContact CG2-CD1 3.85Å; T18-I23 HydrophobicContact CG2-CG1 3.83Å; T18-I23 HydrophobicContact CG2-CG2 4.18Å; I23-F28 HydrophobicContact CB-CB 4.34Å; I23-F28 HydrophobicContact CD1-CB 4.07Å; I23-F28 HydrophobicContact CD1-CD2 4.49Å; I23-F28 HydrophobicContact CD1-CG 4.1Å; I23-I69 HydrophobicContact CD1-CD1 3.43Å; I23-I69 VanDerWaalsContact CD1-CD1 3.43Å
24R98.8Very high98.6Very high112 Ų11250.5 Ų50.542%0.42326%0.262SS..EExtended strand (participates in β ladder)trans-110.7127.9158.3177174.5-73.8-172.4-2.6107.6N13 F14 E15 H26 D27 F28N13-R24 WeakPolarHBondContact OD1-CG 3.33Å; F14-R24 WeakPolarHBondContact O-CA 3.27Å; E15-R24 HydrophobicContact CG-CB 4.11Å; E15-R24 HydrophobicContact CG-CG 4.31Å; E15-R24 IonicContact OE1-CZ 2.84Å; E15-R24 VanDerWaalsContact OE1-CZ 3.29Å; E15-R24 IonicContact OE1-NE 3.29Å; E15-R24 PolarHBondContact OE1-NE 2.86Å; E15-R24 VanDerWaalsContact OE1-NE 3.08Å; E15-R24 IonicContact OE1-NH2 2.86Å; E15-R24 PolarHBondContact OE1-NH2 2.68Å; R24-H26 PolarHBondContact O-N 3.08Å; R24-D27 HydrophobicContact CB-CB 4.24Å; R24-D27 WeakPolarHBondContact CD-OD2 3.36Å; R24-D27 PolarHBondContact O-N 3.07Å; R24-D27 VanDerWaalsContact O-N 3.13Å; R24-F28 PolarHBondContact O-N 2.84Å
25F98.8Very high98.6Very high1 Ų149.7 Ų49.70%0.00426%0.259CS..Hα-helixtrans-60.8-43.2-162.4-170.5-123.1000113.6A11 N13 F14 D27 F28 L29 L36 I69 F137A11-F25 HydrophobicContact CB-CD1 4.01Å; A11-F25 HydrophobicContact CB-CE1 3.74Å; N13-F25 PolarHBondContact OD1-N 3.08Å; F14-F25 HydrophobicContact CD1-CB 3.95Å; F14-F25 HydrophobicContact CD1-CD1 4.39Å; F14-F25 HydrophobicContact CD1-CG 4.16Å; F14-F25 HydrophobicContact CD2-CB 4.14Å; F14-F25 HydrophobicContact CE1-CB 3.74Å; F14-F25 AromaticContact CE1-CD1 3.74Å; F14-F25 HydrophobicContact CE1-CD1 3.74Å; F14-F25 AromaticContact CE1-CD2 3.8Å; F14-F25 HydrophobicContact CE1-CD2 3.8Å; F14-F25 HydrophobicContact CE1-CE1 4.28Å; F14-F25 HydrophobicContact CE1-CE2 4.32Å; F14-F25 AromaticContact CE1-CG 3.48Å; F14-F25 HydrophobicContact CE1-CG 3.48Å; F14-F25 VanDerWaalsContact CE1-CG 3.48Å; F14-F25 HydrophobicContact CE2-CB 3.94Å; F14-F25 HydrophobicContact CE2-CD2 4.04Å; F14-F25 HydrophobicContact CE2-CG 4.17Å; F14-F25 HydrophobicContact CG-CB 4.15Å; F14-F25 HydrophobicContact CZ-CB 3.74Å; F14-F25 HydrophobicContact CZ-CD1 4.18Å; F14-F25 AromaticContact CZ-CD2 3.34Å; F14-F25 HydrophobicContact CZ-CD2 3.34Å; F14-F25 AromaticContact CZ-CE2 3.93Å; F14-F25 HydrophobicContact CZ-CE2 3.93Å; F14-F25 AromaticContact CZ-CG 3.49Å; F14-F25 HydrophobicContact CZ-CG 3.49Å; F14-F25 VanDerWaalsContact CZ-CG 3.49Å; F14-F25 PolarHBondContact O-N 2.82Å; F25-D27 VanDerWaalsContact C-N 3.34Å; F25-D27 PolarHBondContact O-N 3.4Å; F25-F28 HydrophobicContact CD2-CD1 4.47Å; F25-F28 HydrophobicContact CE2-CD1 4.5Å; F25-F28 PolarHBondContact O-N 3.21Å; F25-L29 HydrophobicContact CD1-CD1 4.12Å; F25-L29 HydrophobicContact CE1-CD1 3.67Å; F25-L29 HydrophobicContact CE1-CG 4.36Å; F25-L29 HydrophobicContact CE2-CD1 4.49Å; F25-L29 HydrophobicContact CE2-CD2 4.38Å; F25-L29 HydrophobicContact CE2-CG 4.34Å; F25-L29 HydrophobicContact CZ-CD1 3.88Å; F25-L29 HydrophobicContact CZ-CD2 4.28Å; F25-L29 HydrophobicContact CZ-CG 4.2Å; F25-L29 WeakPolarHBondContact O-CG 3.07Å; F25-L29 PolarHBondContact O-N 3.04Å; F25-L36 HydrophobicContact CE2-CD1 4.07Å; F25-L36 HydrophobicContact CZ-CB 4.29Å; F25-L36 HydrophobicContact CZ-CD1 3.98Å; F25-I69 HydrophobicContact CE2-CG2 4.01Å; F25-F137 AromaticContact CE1-CD2 3.95Å; F25-F137 HydrophobicContact CE1-CD2 3.95Å; F25-F137 AromaticContact CE1-CE2 3.86Å; F25-F137 HydrophobicContact CE1-CE2 3.86Å; F25-F137 AromaticContact CZ-CD2 3.89Å; F25-F137 HydrophobicContact CZ-CD2 3.89Å; F25-F137 AromaticContact CZ-CE2 3.85Å; F25-F137 HydrophobicContact CZ-CE2 3.85Å
26H98.8Very high98.7Very high27 Ų2745.9 Ų45.913%0.12524%0.241CC..Hα-helixtrans-67.6-36.7178.9-69.2-166.8000112.4E10 A11 N13 R24 L29 G30 K141E10-H26 IonicContact OE1-CE1 2.68Å; E10-H26 PolarHBondContact OE1-CE1 3.18Å; E10-H26 VanDerWaalsContact OE1-CE1 3.3Å; A11-H26 PolarHBondContact O-NE2 3.13Å; N13-H26 VanDerWaalsContact OD1-CB 3.27Å; N13-H26 WeakPolarHBondContact OD1-CB 3.32Å; N13-H26 VanDerWaalsContact OD1-CG 3.3Å; N13-H26 PolarHBondContact OD1-N 2.64Å; R24-H26 PolarHBondContact O-N 3.08Å; H26-L29 PolarHBondContact O-N 2.94Å; H26-G30 PolarHBondContact O-N 3.24Å; H26-K141 HydrophobicContact CB-CD 4.17Å; H26-K141 WeakPolarHBondContact O-CE 3.44Å
27D98.8Very high98.7Very high111 Ų11145.5 Ų45.559%0.59424%0.237SC*.Hα-helixtrans-67.8-40.8177.3-58.1-3.7000110.3R24 F25 G30R24-D27 HydrophobicContact CB-CB 4.24Å; R24-D27 WeakPolarHBondContact CD-OD2 3.36Å; R24-D27 PolarHBondContact O-N 3.07Å; R24-D27 VanDerWaalsContact O-N 3.13Å; F25-D27 VanDerWaalsContact C-N 3.34Å; F25-D27 PolarHBondContact O-N 3.4Å; D27-G30 PolarHBondContact O-N 2.83Å
28F98.8Very high98.7Very high42 Ų4241.3 Ų41.318%0.18422%0.215CC..Hα-helixtrans-59.9-46.8173.4167.3-99.4000111.5I23 R24 F25 K67 I69 P101I23-F28 HydrophobicContact CB-CB 4.34Å; I23-F28 HydrophobicContact CD1-CB 4.07Å; I23-F28 HydrophobicContact CD1-CD2 4.49Å; I23-F28 HydrophobicContact CD1-CG 4.1Å; R24-F28 PolarHBondContact O-N 2.84Å; F25-F28 HydrophobicContact CD2-CD1 4.47Å; F25-F28 HydrophobicContact CE2-CD1 4.5Å; F25-F28 PolarHBondContact O-N 3.21Å; F28-K67 HydrophobicContact CE1-CB 4.12Å; F28-K67 HydrophobicContact CZ-CB 4.1Å; F28-K67 HydrophobicContact CZ-CD 4.46Å; F28-K67 VanDerWaalsContact O-CD 3.23Å; F28-K67 WeakPolarHBondContact O-CD 3.44Å; F28-K67 PolarHBondContact O-NZ 3.14Å; F28-I69 HydrophobicContact CD1-CD1 4.12Å; F28-I69 HydrophobicContact CE1-CB 3.84Å; F28-I69 HydrophobicContact CE1-CD1 3.88Å; F28-I69 HydrophobicContact CE1-CG1 4.48Å; F28-I69 HydrophobicContact CE1-CG2 3.91Å; F28-I69 HydrophobicContact CZ-CB 4.02Å; F28-I69 HydrophobicContact CZ-CD1 4.13Å; F28-P101 HydrophobicContact CE2-CG 3.78Å; F28-P101 HydrophobicContact CZ-CG 3.94Å
29L98.6Very high98.6Very high0 Ų041.1 Ų41.10%021%0.214CC..Hα-helixtrans-63-45.3176.8-69.1-177.8000111.1F25 H26 D31 S32 G34 K67 F137 K141F25-L29 HydrophobicContact CD1-CD1 4.12Å; F25-L29 HydrophobicContact CE1-CD1 3.67Å; F25-L29 HydrophobicContact CE1-CG 4.36Å; F25-L29 HydrophobicContact CE2-CD1 4.49Å; F25-L29 HydrophobicContact CE2-CD2 4.38Å; F25-L29 HydrophobicContact CE2-CG 4.34Å; F25-L29 HydrophobicContact CZ-CD1 3.88Å; F25-L29 HydrophobicContact CZ-CD2 4.28Å; F25-L29 HydrophobicContact CZ-CG 4.2Å; F25-L29 WeakPolarHBondContact O-CG 3.07Å; F25-L29 PolarHBondContact O-N 3.04Å; H26-L29 PolarHBondContact O-N 2.94Å; L29-D31 PolarHBondContact O-N 2.75Å; L29-S32 WeakPolarHBondContact O-CB 3.31Å; L29-S32 PolarHBondContact O-N 3.3Å; L29-G34 VanDerWaalsContact CD2-CA 3.49Å; L29-K67 PolarHBondContact O-NZ 2.94Å; L29-F137 HydrophobicContact CD1-CB 4.43Å; L29-K141 HydrophobicContact CB-CD 4.33Å; L29-K141 HydrophobicContact CD1-CD 3.87Å
30G98.6Very high98.4Very high25 Ų2540.2 Ų40.226%0.25821%0.208SC..THydrogen-bonded Turntrans58.1-134-171.800000110.2H26 D27 S32 K141H26-G30 PolarHBondContact O-N 3.24Å; D27-G30 PolarHBondContact O-N 2.83Å; G30-S32 VanDerWaalsContact C-N 3.33Å; G30-K141 WeakPolarHBondContact O-CE 3.2Å; G30-K141 PolarHBondContact O-NZ 2.79Å
31D98.4Very high98.3Very high138 Ų13839.1 Ų39.174%0.73819%0.193SC*.THydrogen-bonded Turntrans-93.111.6177.3-57.2-46.6000113.5L29 P139L29-D31 PolarHBondContact O-N 2.75Å; D31-P139 WeakPolarHBondContact O-CB 3.39Å
32S98.7Very high98.3Very high12 Ų1237.6 Ų37.68%0.08418%0.176CC..SBendtrans-85.2158.6177.9-56.90000111.8L29 G30 N65 K67L29-S32 WeakPolarHBondContact O-CB 3.31Å; L29-S32 PolarHBondContact O-N 3.3Å; G30-S32 VanDerWaalsContact C-N 3.33Å; S32-N65 WeakPolarHBondContact CB-O 3.27Å; S32-N65 WeakPolarHBondContact CB-OD1 3.44Å; S32-N65 PolarHBondContact OG-OD1 3.07Å; S32-K67 WeakPolarHBondContact OG-CE 3.36Å
33W98.9Very high98.2Very high27 Ų2734.3 Ų34.310%0.10217%0.167CC..EExtended strand (participates in β ladder)trans-65.7155.1158.1-72.477.4000109.8N65 V66 K67 V136 F137 P139 K144 L167 Q168 A171W33-N65 PolarHBondContact N-O 3.32Å; W33-V66 HydrophobicContact CB-CB 4.26Å; W33-V66 HydrophobicContact CB-CG1 4.23Å; W33-V66 HydrophobicContact CB-CG2 3.87Å; W33-V66 WeakPolarHBondContact O-CA 3.5Å; W33-K67 PolarHBondContact O-N 2.78Å; W33-V136 HydrophobicContact CE3-CG1 4.17Å; W33-V136 HydrophobicContact CZ3-CG1 4.41Å; W33-F137 WeakPolarHBondContact CA-O 3.46Å; W33-P139 HydrophobicContact CG-CG 4.35Å; W33-K144 HydrophobicContact CH2-CG 4.19Å; W33-K144 HydrophobicContact CZ3-CB 4.19Å; W33-K144 HydrophobicContact CZ3-CG 3.71Å; W33-L167 HydrophobicContact CH2-CB 3.88Å; W33-L167 HydrophobicContact CZ3-CB 3.93Å; W33-L167 HydrophobicContact CZ3-CD1 4.29Å; W33-Q168 VanDerWaalsContact CD1-NE2 3.28Å; W33-Q168 HydrophobicContact CD2-CG 4.29Å; W33-Q168 HydrophobicContact CZ2-CG 3.88Å; W33-A171 HydrophobicContact CZ2-CB 4.41Å
34G98.8Very high98.1Very high1 Ų135.1 Ų35.11%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-132.1139.4-179.300000112.6L29 K67 V136 F137L29-G34 VanDerWaalsContact CD2-CA 3.49Å; G34-K67 CarbonylContact C-O 3.52Å; G34-K67 WeakPolarHBondContact CA-O 3.37Å; G34-V136 CarbonylContact O-C 3.57Å; G34-V136 WeakPolarHBondContact O-CA 3.45Å; G34-F137 PolarHBondContact N-O 2.78Å; G34-F137 PolarHBondContact O-N 2.89Å
35I98.9Very high98Very high1 Ų134.9 Ų34.91%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-120.5110.9167.5-59.4173.7000108.2F37 F61 V66 K67 L68 I69 V134 F135 V136 I160 V164I35-F37 HydrophobicContact CG2-CD1 4.12Å; I35-F61 HydrophobicContact CD1-CD1 3.65Å; I35-F61 HydrophobicContact CD1-CE1 3.44Å; I35-F61 VanDerWaalsContact CD1-CE1 3.44Å; I35-F61 HydrophobicContact CD1-CZ 4.23Å; I35-V66 HydrophobicContact CD1-CG1 3.71Å; I35-V66 HydrophobicContact CG1-CG1 3.67Å; I35-K67 PolarHBondContact N-O 3Å; I35-L68 HydrophobicContact CB-CD2 3.93Å; I35-L68 HydrophobicContact CD1-CD2 4.04Å; I35-L68 HydrophobicContact CG2-CD2 4.13Å; I35-I69 WeakPolarHBondContact O-CG2 3.45Å; I35-I69 PolarHBondContact O-N 2.86Å; I35-V134 HydrophobicContact CG2-CG1 3.81Å; I35-F135 VanDerWaalsContact CA-O 3.32Å; I35-F135 WeakPolarHBondContact CA-O 3.35Å; I35-V136 HydrophobicContact CG1-CG1 4.41Å; I35-V136 HydrophobicContact CG1-CG2 4.33Å; I35-I160 HydrophobicContact CD1-CG2 3.91Å; I35-V164 HydrophobicContact CD1-CG2 3.85Å
36L98.9Very high97.9Very high1 Ų137.1 Ų37.11%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-95.4120.5168.5-171165.9000107.8F14 F25 I69 L71 L114 M116 V134 F135 F137F14-L36 HydrophobicContact CE1-CD1 4.12Å; F14-L36 HydrophobicContact CZ-CD1 4Å; F25-L36 HydrophobicContact CE2-CD1 4.07Å; F25-L36 HydrophobicContact CZ-CB 4.29Å; F25-L36 HydrophobicContact CZ-CD1 3.98Å; L36-I69 WeakPolarHBondContact CA-O 3.31Å; L36-I69 HydrophobicContact CB-CG2 4.1Å; L36-I69 HydrophobicContact CG-CG2 4.32Å; L36-L71 HydrophobicContact CD2-CB 4.41Å; L36-L114 HydrophobicContact CD1-CD1 4.07Å; L36-M116 HydrophobicContact CD2-SD 4.12Å; L36-V134 WeakPolarHBondContact O-CA 3.26Å; L36-F135 HydrophobicContact CD2-CD2 4.27Å; L36-F135 PolarHBondContact N-O 2.69Å; L36-F135 PolarHBondContact O-N 3.05Å; L36-F137 HydrophobicContact CB-CE2 4.06Å
37F98.7Very high97.8Very high1 Ų135.9 Ų35.90%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-129.4127.2178.862.2-82.1000111.3I35 L51 A54 L68 I69 A70 L71 F100 V133 V134 F157I35-F37 HydrophobicContact CG2-CD1 4.12Å; F37-L51 HydrophobicContact CE2-CD1 4.11Å; F37-L51 HydrophobicContact CE2-CG 4.11Å; F37-A54 HydrophobicContact CE2-CB 4.42Å; F37-A54 HydrophobicContact CZ-CB 4.1Å; F37-L68 HydrophobicContact CD1-CD2 4.27Å; F37-L68 HydrophobicContact CE1-CB 4.14Å; F37-L68 HydrophobicContact CE1-CD2 3.86Å; F37-I69 VanDerWaalsContact CD1-O 3.25Å; F37-I69 WeakPolarHBondContact CD1-O 3.43Å; F37-I69 WeakPolarHBondContact CE1-O 3.3Å; F37-I69 PolarHBondContact N-O 2.86Å; F37-A70 HydrophobicContact CD2-CB 4.25Å; F37-A70 HydrophobicContact CE1-CB 4.24Å; F37-A70 HydrophobicContact CE2-CB 3.63Å; F37-A70 HydrophobicContact CZ-CB 3.64Å; F37-A70 CarbonylContact O-C 3.47Å; F37-A70 VanDerWaalsContact O-CA 3.25Å; F37-A70 WeakPolarHBondContact O-CA 3.49Å; F37-L71 PolarHBondContact O-N 2.96Å; F37-F100 HydrophobicContact CZ-CD2 4.1Å; F37-F100 HydrophobicContact CZ-CE1 4.49Å; F37-F100 AromaticContact CZ-CE2 3.83Å; F37-F100 HydrophobicContact CZ-CE2 3.83Å; F37-F100 HydrophobicContact CZ-CZ 4.05Å; F37-V133 CarbonylContact C-O 3.53Å; F37-V133 VanDerWaalsContact CA-O 3.26Å; F37-V133 WeakPolarHBondContact CA-O 3.45Å; F37-V134 HydrophobicContact CB-CG2 4.09Å; F37-F157 HydrophobicContact CD2-CZ 4.39Å; F37-F157 HydrophobicContact CE2-CZ 4.46Å
38S98.4Very high97.8Very high0 Ų031.6 Ų31.60%017%0.171CC..EExtended strand (participates in β ladder)trans-92.2156.317963.50000111.8L71 A131 V133 R155S38-L71 CarbonylContact C-O 3.49Å; S38-L71 WeakPolarHBondContact CA-O 3.42Å; S38-A131 PolarHBondContact OG-O 2.82Å; S38-V133 PolarHBondContact N-O 2.97Å; S38-V133 PolarHBondContact OG-N 2.82Å; S38-R155 PolarHBondContact O-NH1 3.14Å; S38-R155 PolarHBondContact O-NH2 3.03Å
39H97.6Very high97.8Very high0 Ų032.3 Ų32.30%018%0.18CC..  trans-136.7148.9167.164.8-84.4000110.4R41 D42 C47 L51 L71 S72 W82 T130H39-R41 PolarHBondContact O-N 2.93Å; H39-D42 IonicContact CD2-OD1 3.49Å; H39-D42 IonicContact CE1-OD1 3.69Å; H39-D42 IonicContact NE2-OD1 3.81Å; H39-D42 PolarHBondContact NE2-OD1 3.1Å; H39-C47 HydrophobicContact CB-CB 4.19Å; H39-L51 HydrophobicContact CB-CD1 4.32Å; H39-L71 PolarHBondContact N-O 2.99Å; H39-L71 PolarHBondContact ND1-O 2.97Å; H39-S72 VanDerWaalsContact CE1-CB 3.42Å; H39-S72 WeakPolarHBondContact CE1-CB 3.36Å; H39-S72 PolarHBondContact CE1-OG 3.06Å; H39-S72 VanDerWaalsContact NE2-CB 3.27Å; H39-S72 WeakPolarHBondContact NE2-CB 3.32Å; H39-S72 PolarHBondContact NE2-OG 2.8Å; H39-S72 VanDerWaalsContact O-CB 3.31Å; H39-S72 WeakPolarHBondContact O-CB 3.34Å; H39-W82 AromaticContact CD2-CH2 3.91Å; H39-W82 AromaticContact CD2-CZ3 3.94Å; H39-W82 AromaticContact CE1-CZ3 3.73Å; H39-W82 AromaticContact NE2-CH2 3.72Å; H39-W82 AromaticContact NE2-CZ3 3.26Å; H39-W82 VanDerWaalsContact NE2-CZ3 3.26Å; H39-W82 WeakPolarHBondContact NE2-CZ3 3.23Å; H39-T130 PolarHBondContact O-OG1 2.81Å
40P94.3Very high97.8Very high10 Ų1032.6 Ų32.67%0.06518%0.181CC..SBendtrans-57.1-49.4-172.9-28.130.9000115.8V129 T130 R132 A151P40-V129 HydrophobicContact CB-CG2 3.86Å; P40-T130 WeakPolarHBondContact CA-O 3.45Å; P40-T130 WeakPolarHBondContact CB-O 3.24Å; P40-T130 WeakPolarHBondContact CG-O 3.39Å; P40-R132 HydrophobicContact CG-CG 4.32Å; P40-A151 HydrophobicContact CB-CB 4.37Å; P40-A151 HydrophobicContact CG-CB 3.62Å
41R95.8Very high97.8Very high80 Ų8031.4 Ų31.430%0.30217%0.169SC..  trans-160.4146.7-176.1-155.1168.9-175.8-178.5-11.5111.7H39 T44 C47 D74 E124H39-R41 PolarHBondContact O-N 2.93Å; R41-T44 HydrophobicContact CB-CG2 3.98Å; R41-T44 PolarHBondContact O-OG1 3.28Å; R41-C47 PolarHBondContact O-SG 2.99Å; R41-D74 VanDerWaalsContact CA-OD2 3.25Å; R41-D74 WeakPolarHBondContact CA-OD2 3.37Å; R41-D74 WeakPolarHBondContact CG-OD1 3.38Å; R41-D74 VanDerWaalsContact CG-OD2 3.27Å; R41-D74 WeakPolarHBondContact CG-OD2 3.49Å; R41-D74 IonicContact NE-OD1 3.92Å; R41-D74 PolarHBondContact NE-OD1 2.82Å; R41-E124 IonicContact CZ-OE1 3.43Å; R41-E124 IonicContact NH1-OE1 3.08Å; R41-E124 PolarHBondContact NH1-OE1 3.47Å; R41-E124 VanDerWaalsContact NH1-OE1 3.08Å; R41-E124 IonicContact NH2-OE1 2.87Å; R41-E124 PolarHBondContact NH2-OE1 3.49Å
42D97.9Very high97.8Very high4 Ų424.9 Ų24.92%0.02113%0.133CC..THydrogen-bonded Turntrans-62.5161.8168.4-69.317000110.7H39 T44 S72 D74 H79 W82H39-D42 IonicContact CD2-OD1 3.49Å; H39-D42 IonicContact CE1-OD1 3.69Å; H39-D42 IonicContact NE2-OD1 3.81Å; H39-D42 PolarHBondContact NE2-OD1 3.1Å; D42-T44 PolarHBondContact O-N 3.2Å; D42-S72 PolarHBondContact OD1-OG 3.23Å; D42-D74 HydrophobicContact CB-CB 4.24Å; D42-D74 PolarHBondContact N-OD2 3.32Å; D42-H79 IonicContact OD1-CE1 3.26Å; D42-H79 IonicContact OD1-ND1 3.71Å; D42-H79 PolarHBondContact OD1-ND1 3.27Å; D42-H79 VanDerWaalsContact OD2-CA 3.25Å; D42-H79 WeakPolarHBondContact OD2-CA 3.34Å; D42-H79 IonicContact OD2-CE1 2.72Å; D42-H79 IonicContact OD2-CG 3.71Å; D42-H79 PolarHBondContact OD2-N 3.36Å; D42-H79 IonicContact OD2-ND1 2.87Å; D42-H79 PolarHBondContact OD2-ND1 3.4Å; D42-W82 HydrophobicContact CB-CB 4.26Å; D42-W82 HydrophobicContact CB-CD2 3.91Å; D42-W82 HydrophobicContact CB-CE3 3.81Å; D42-W82 HydrophobicContact CB-CG 4.1Å; D42-W82 HydrophobicContact CB-CZ3 4.43Å; D42-W82 VanDerWaalsContact CG-CE3 3.4Å
43F97.6Very high97.8Very high106 Ų10629.3 Ų29.347%0.46515%0.148SC..THydrogen-bonded Turntrans56.530.6-179.7-50.5-77.6000114.7D78 A81 W82F43-D78 HydrophobicContact CE2-CB 4.1Å; F43-A81 HydrophobicContact CZ-CB 4.06Å; F43-W82 HydrophobicContact CD1-CB 4.03Å; F43-W82 AromaticContact CD1-CD1 3.48Å; F43-W82 VanDerWaalsContact CD1-CD1 3.48Å; F43-W82 HydrophobicContact CD1-CG 4.01Å; F43-W82 HydrophobicContact CD2-CB 4.45Å; F43-W82 HydrophobicContact CE1-CB 3.59Å; F43-W82 AromaticContact CE1-CD1 3.87Å; F43-W82 HydrophobicContact CE1-CG 4.07Å; F43-W82 HydrophobicContact CE2-CB 4.05Å; F43-W82 HydrophobicContact CG-CB 4.44Å; F43-W82 AromaticContact CG-CD1 3.94Å; F43-W82 HydrophobicContact CG-CG 4.3Å; F43-W82 HydrophobicContact CZ-CB 3.6Å; F43-W82 HydrophobicContact CZ-CG 4.41Å
44T95Very high97.8Very high39 Ų3928 Ų2824%0.23914%0.144CC..  trans-118144.7176.262.20000111.8R41 D42 V46 C47 T48R41-T44 HydrophobicContact CB-CG2 3.98Å; R41-T44 PolarHBondContact O-OG1 3.28Å; D42-T44 PolarHBondContact O-N 3.2Å; T44-V46 PolarHBondContact O-N 3.36Å; T44-C47 PolarHBondContact O-N 2.96Å; T44-C47 VanDerWaalsContact OG1-CB 3.31Å; T44-C47 WeakPolarHBondContact OG1-CB 3.25Å; T44-C47 PolarHBondContact OG1-SG 2.91Å; T44-T48 PolarHBondContact O-N 3.22Å; T44-T48 PolarHBondContact O-OG1 2.82Å; T44-T48 VanDerWaalsContact O-OG1 3.08Å
45P96.7Very high97.8Very high107 Ų10728.5 Ų28.570%0.69515%0.147SC*.Hα-helixtrans-62-49.3-163.821.6-33.7000113.4C47 T48 T49P45-C47 VanDerWaalsContact C-N 3.34Å; P45-C47 PolarHBondContact O-N 2.97Å; P45-T48 PolarHBondContact O-N 3.49Å; P45-T49 WeakPolarHBondContact O-CG2 3.32Å; P45-T49 PolarHBondContact O-N 2.66Å
46V97.1Very high97.8Very high48 Ų4832.9 Ų32.929%0.29117%0.166SC..Hα-helixtrans-68-35.7-178.4179.50000111.2T44 T48 T49 E50 R132T44-V46 PolarHBondContact O-N 3.36Å; V46-T48 VanDerWaalsContact C-N 3.32Å; V46-T48 PolarHBondContact O-N 2.71Å; V46-T49 PolarHBondContact O-N 3.24Å; V46-T49 PolarHBondContact O-OG1 2.89Å; V46-E50 HydrophobicContact CG1-CG 4.45Å; V46-E50 WeakPolarHBondContact O-CG 3.48Å; V46-E50 PolarHBondContact O-N 3.47Å; V46-R132 VanDerWaalsContact CG1-CZ 3.45Å
47C97.1Very high97.8Very high0 Ų033.5 Ų33.50%017%0.169CC..Hα-helixtrans-65.6-38.8177.2-57.40000111H39 R41 T44 P45 T49 E50 L51 W82 R132H39-C47 HydrophobicContact CB-CB 4.19Å; R41-C47 PolarHBondContact O-SG 2.99Å; T44-C47 PolarHBondContact O-N 2.96Å; T44-C47 VanDerWaalsContact OG1-CB 3.31Å; T44-C47 WeakPolarHBondContact OG1-CB 3.25Å; T44-C47 PolarHBondContact OG1-SG 2.91Å; P45-C47 VanDerWaalsContact C-N 3.34Å; P45-C47 PolarHBondContact O-N 2.97Å; C47-T49 PolarHBondContact O-N 3.36Å; C47-E50 PolarHBondContact O-N 2.88Å; C47-L51 WeakPolarHBondContact O-CD1 3.44Å; C47-L51 PolarHBondContact O-N 2.89Å; C47-W82 HydrophobicContact CB-CH2 3.72Å; C47-W82 HydrophobicContact CB-CZ2 3.84Å; C47-R132 PolarHBondContact SG-NH1 2.72Å; C47-R132 PolarHBondContact SG-NH2 2.7Å
48T98.6Very high97.8Very high21 Ų2134 Ų3413%0.12917%0.173CC..Hα-helixtrans-63.4-42.9178.1-56.30000110.8T44 P45 V46 G52 W82 I86 Y89T44-T48 PolarHBondContact O-N 3.22Å; T44-T48 PolarHBondContact O-OG1 2.82Å; T44-T48 VanDerWaalsContact O-OG1 3.08Å; P45-T48 PolarHBondContact O-N 3.49Å; V46-T48 VanDerWaalsContact C-N 3.32Å; V46-T48 PolarHBondContact O-N 2.71Å; T48-G52 PolarHBondContact O-N 2.99Å; T48-W82 WeakPolarHBondContact OG1-CZ2 3.27Å; T48-W82 PolarHBondContact OG1-NE1 3.5Å; T48-W82 VanDerWaalsContact OG1-NE1 3.13Å; T48-I86 HydrophobicContact CG2-CG1 4.33Å; T48-Y89 HydrophobicContact CG2-CG 4.1Å
49T98.7Very high97.8Very high58 Ų5838 Ų3836%0.35620%0.2SC..Hα-helixtrans-66.3-38.8177.767.10000112.2P45 V46 C47 R53 Y89P45-T49 WeakPolarHBondContact O-CG2 3.32Å; P45-T49 PolarHBondContact O-N 2.66Å; V46-T49 PolarHBondContact O-N 3.24Å; V46-T49 PolarHBondContact O-OG1 2.89Å; C47-T49 PolarHBondContact O-N 3.36Å; T49-R53 WeakPolarHBondContact O-CB 3.43Å; T49-R53 PolarHBondContact O-N 2.92Å; T49-Y89 HydrophobicContact CG2-CE1 4.49Å; T49-Y89 HydrophobicContact CG2-CE2 3.97Å; T49-Y89 WeakPolarHBondContact CG2-OH 3.41Å
50E98.6Very high97.8Very high6 Ų641 Ų413%0.02821%0.214CC..Hα-helixtrans-66.3-51.7178.3-76-175.2143.600112.8V46 C47 G52 R53 A54 R132 R155 F157V46-E50 HydrophobicContact CG1-CG 4.45Å; V46-E50 WeakPolarHBondContact O-CG 3.48Å; V46-E50 PolarHBondContact O-N 3.47Å; C47-E50 PolarHBondContact O-N 2.88Å; E50-G52 VanDerWaalsContact C-N 3.27Å; E50-G52 PolarHBondContact O-N 3.38Å; E50-R53 PolarHBondContact O-N 3.13Å; E50-A54 WeakPolarHBondContact O-CB 3.48Å; E50-A54 PolarHBondContact O-N 3.22Å; E50-R132 IonicContact OE1-NH1 3.99Å; E50-R132 IonicContact OE2-CZ 3.69Å; E50-R132 IonicContact OE2-NH1 2.66Å; E50-R132 PolarHBondContact OE2-NH1 2.87Å; E50-R155 WeakPolarHBondContact OE1-CB 3.3Å; E50-R155 WeakPolarHBondContact OE1-CG 3.48Å; E50-R155 IonicContact OE1-CZ 2.74Å; E50-R155 PolarHBondContact OE1-N 3.31Å; E50-R155 IonicContact OE1-NE 3.69Å; E50-R155 PolarHBondContact OE1-NE 2.9Å; E50-R155 IonicContact OE1-NH2 3.7Å; E50-R155 IonicContact OE2-CZ 2.8Å; E50-R155 IonicContact OE2-NE 3.91Å; E50-R155 PolarHBondContact OE2-NE 3.44Å; E50-R155 IonicContact OE2-NH2 3.67Å; E50-R155 PolarHBondContact OE2-NH2 3.26Å; E50-F157 HydrophobicContact CB-CE2 3.96Å; E50-F157 HydrophobicContact CG-CE2 4.19Å
51L98.7Very high98.1Very high0 Ų040.5 Ų40.50%021%0.211CC..Hα-helixtrans-68.6-31.4179.3-85.572.4000111.3F37 H39 C47 A54 A55 A70 W82 I86 F100 I102F37-L51 HydrophobicContact CE2-CD1 4.11Å; F37-L51 HydrophobicContact CE2-CG 4.11Å; H39-L51 HydrophobicContact CB-CD1 4.32Å; C47-L51 WeakPolarHBondContact O-CD1 3.44Å; C47-L51 PolarHBondContact O-N 2.89Å; L51-A54 PolarHBondContact O-N 3.39Å; L51-A55 WeakPolarHBondContact O-CB 3.49Å; L51-A55 PolarHBondContact O-N 3.3Å; L51-A70 HydrophobicContact CD2-CB 4.31Å; L51-W82 HydrophobicContact CB-CH2 4.41Å; L51-W82 HydrophobicContact CD1-CH2 4.06Å; L51-W82 HydrophobicContact CD2-CE3 4.44Å; L51-W82 HydrophobicContact CD2-CH2 3.7Å; L51-W82 HydrophobicContact CD2-CZ3 3.44Å; L51-W82 VanDerWaalsContact CD2-CZ3 3.44Å; L51-W82 HydrophobicContact CG-CH2 4.26Å; L51-W82 HydrophobicContact CG-CZ3 4.45Å; L51-I86 HydrophobicContact CB-CD1 3.78Å; L51-I86 HydrophobicContact CB-CG1 4.32Å; L51-I86 HydrophobicContact CB-CG2 4.29Å; L51-I86 HydrophobicContact CD2-CD1 3.78Å; L51-I86 HydrophobicContact CG-CD1 4.45Å; L51-F100 HydrophobicContact CB-CZ 4.5Å; L51-F100 HydrophobicContact CD2-CE2 4.32Å; L51-F100 HydrophobicContact CG-CE2 4.37Å; L51-F100 HydrophobicContact CG-CZ 4.46Å; L51-I102 HydrophobicContact CD2-CD1 3.82Å; L51-I102 HydrophobicContact CD2-CG1 4.48Å
52G98.7Very high98.2Very high0 Ų039.9 Ų39.90%022%0.223CC..Hα-helixtrans-59.2-49.116900000112T48 E50 A55 K56 N90T48-G52 PolarHBondContact O-N 2.99Å; E50-G52 VanDerWaalsContact C-N 3.27Å; E50-G52 PolarHBondContact O-N 3.38Å; G52-A55 PolarHBondContact O-N 3.01Å; G52-K56 PolarHBondContact O-N 3.26Å; G52-K56 VanDerWaalsContact O-N 3.09Å; G52-N90 VanDerWaalsContact CA-ND2 3.34Å; G52-N90 WeakPolarHBondContact CA-ND2 3.29Å; G52-N90 PolarHBondContact O-ND2 3.48Å; G52-N90 PolarHBondContact O-OD1 2.92Å
53R98.8Very high98.2Very high106 Ų10645.9 Ų45.940%0.425%0.248SC..Hα-helixtrans-64-41.3176.3-178.857.1176.3168.20.2112.3T49 E50 A55 K56 L57 F157 D158T49-R53 WeakPolarHBondContact O-CB 3.43Å; T49-R53 PolarHBondContact O-N 2.92Å; E50-R53 PolarHBondContact O-N 3.13Å; R53-A55 VanDerWaalsContact C-N 3.3Å; R53-A55 PolarHBondContact O-N 2.99Å; R53-K56 PolarHBondContact O-N 2.84Å; R53-L57 HydrophobicContact CG-CD1 4.11Å; R53-L57 WeakPolarHBondContact O-CB 3.36Å; R53-L57 PolarHBondContact O-N 2.91Å; R53-F157 HydrophobicContact CG-CB 3.86Å; R53-F157 HydrophobicContact CG-CD2 4.37Å; R53-F157 HydrophobicContact CG-CG 4.2Å; R53-D158 IonicContact CZ-OD1 2.73Å; R53-D158 IonicContact NE-OD1 2.66Å; R53-D158 IonicContact NH2-OD1 3.66Å; R53-D158 PolarHBondContact NH2-OD1 3.35Å; R53-D158 IonicContact NH2-OD2 3.48Å
54A98.8Very high98.3Very high0 Ų043.1 Ų43.10%024%0.235CC..Hα-helixtrans-59.1-42.4175.300000111.2F37 E50 L51 L57 A58 F100 F157F37-A54 HydrophobicContact CE2-CB 4.42Å; F37-A54 HydrophobicContact CZ-CB 4.1Å; E50-A54 WeakPolarHBondContact O-CB 3.48Å; E50-A54 PolarHBondContact O-N 3.22Å; L51-A54 PolarHBondContact O-N 3.39Å; A54-L57 CarbonylContact O-C 3.53Å; A54-L57 PolarHBondContact O-N 2.95Å; A54-A58 PolarHBondContact O-N 3.31Å; A54-F100 HydrophobicContact CB-CE1 3.71Å; A54-F100 HydrophobicContact CB-CZ 3.81Å; A54-F157 HydrophobicContact CB-CD1 4.16Å; A54-F157 HydrophobicContact CB-CE1 3.5Å; A54-F157 VanDerWaalsContact CB-CE1 3.5Å; A54-F157 HydrophobicContact CB-CZ 3.85Å
55A98.8Very high98.5Very high10 Ų1045.2 Ų45.28%0.08325%0.245CC..Hα-helixtrans-64.6-45.617900000111.6L51 G52 R53 L57 A58 L98 P99 F100L51-A55 WeakPolarHBondContact O-CB 3.49Å; L51-A55 PolarHBondContact O-N 3.3Å; G52-A55 PolarHBondContact O-N 3.01Å; R53-A55 VanDerWaalsContact C-N 3.3Å; R53-A55 PolarHBondContact O-N 2.99Å; A55-L57 VanDerWaalsContact C-N 3.27Å; A55-L57 PolarHBondContact O-N 3.47Å; A55-A58 WeakPolarHBondContact O-CB 3.34Å; A55-A58 PolarHBondContact O-N 3.42Å; A55-L98 HydrophobicContact CB-CD2 4.36Å; A55-P99 HydrophobicContact CB-CG 3.95Å; A55-F100 HydrophobicContact CB-CE1 4.15Å; A55-F100 HydrophobicContact CB-CZ 4.45Å
56K98.7Very high98.6Very high94 Ų9440.4 Ų40.441%0.40921%0.214SC..Hα-helixtrans-61.7-33.6174.9-68.7-61.1-166.3-167.10113.1G52 R53 N90 E92G52-K56 PolarHBondContact O-N 3.26Å; G52-K56 VanDerWaalsContact O-N 3.09Å; R53-K56 PolarHBondContact O-N 2.84Å; K56-N90 PolarHBondContact NZ-O 3.41Å; K56-E92 WeakPolarHBondContact CE-OE1 3.44Å; K56-E92 IonicContact NZ-OE1 2.66Å; K56-E92 PolarHBondContact NZ-OE1 3.17Å
57L98.7Very high98.7Very high13 Ų1341.6 Ų41.67%0.06822%0.215CC..Hα-helixtrans-89-7.8179.3-74.9177.1000114R53 A54 A55 P59 E60 F61 F157R53-L57 HydrophobicContact CG-CD1 4.11Å; R53-L57 WeakPolarHBondContact O-CB 3.36Å; R53-L57 PolarHBondContact O-N 2.91Å; A54-L57 CarbonylContact O-C 3.53Å; A54-L57 PolarHBondContact O-N 2.95Å; A55-L57 VanDerWaalsContact C-N 3.27Å; A55-L57 PolarHBondContact O-N 3.47Å; L57-P59 VanDerWaalsContact C-N 3.28Å; L57-P59 VanDerWaalsContact O-N 3.16Å; L57-E60 HydrophobicContact CD2-CB 4.47Å; L57-E60 HydrophobicContact CD2-CG 4.15Å; L57-E60 WeakPolarHBondContact O-CA 3.5Å; L57-E60 VanDerWaalsContact O-CB 3.3Å; L57-E60 WeakPolarHBondContact O-CB 3.4Å; L57-E60 PolarHBondContact O-N 2.7Å; L57-F61 HydrophobicContact CB-CD2 4.14Å; L57-F61 HydrophobicContact CB-CE2 3.82Å; L57-F61 HydrophobicContact CD1-CE2 4.49Å; L57-F61 VanDerWaalsContact O-CD2 3.29Å; L57-F61 WeakPolarHBondContact O-CD2 3.42Å; L57-F61 PolarHBondContact O-N 3.39Å; L57-F157 HydrophobicContact CD1-CB 3.71Å
58A98.8Very high98.7Very high11 Ų1142.1 Ų42.19%0.09122%0.218CC..Hα-helixtrans-52.4-38.3-178.500000113.8A54 A55 E60 F61 A62 L68 P99A54-A58 PolarHBondContact O-N 3.31Å; A55-A58 WeakPolarHBondContact O-CB 3.34Å; A55-A58 PolarHBondContact O-N 3.42Å; A58-E60 VanDerWaalsContact C-N 3.3Å; A58-E60 PolarHBondContact O-N 2.94Å; A58-F61 PolarHBondContact O-N 2.87Å; A58-A62 WeakPolarHBondContact O-CB 3.37Å; A58-A62 PolarHBondContact O-N 2.89Å; A58-L68 HydrophobicContact CB-CD1 4.03Å; A58-P99 HydrophobicContact CB-CB 3.59Å; A58-P99 HydrophobicContact CB-CG 3.46Å; A58-P99 VanDerWaalsContact CB-CG 3.46Å
59P98.8Very high98.8Very high86 Ų8641.1 Ų41.156%0.55821%0.211SC*.Hα-helixtrans-60.6-34.9173.2-24.935.9000114.1L57 A62 K63L57-P59 VanDerWaalsContact C-N 3.28Å; L57-P59 VanDerWaalsContact O-N 3.16Å; P59-A62 PolarHBondContact O-N 2.76Å; P59-K63 WeakPolarHBondContact O-CG 3.48Å; P59-K63 PolarHBondContact O-N 2.85Å
60E98.8Very high98.8Very high61 Ų6138.4 Ų38.429%0.28519%0.194SC..Hα-helixtrans-69-33.8177.7-71.1-64.2124.400112.5L57 A58 K63 R64 L161L57-E60 HydrophobicContact CD2-CB 4.47Å; L57-E60 HydrophobicContact CD2-CG 4.15Å; L57-E60 WeakPolarHBondContact O-CA 3.5Å; L57-E60 VanDerWaalsContact O-CB 3.3Å; L57-E60 WeakPolarHBondContact O-CB 3.4Å; L57-E60 PolarHBondContact O-N 2.7Å; A58-E60 VanDerWaalsContact C-N 3.3Å; A58-E60 PolarHBondContact O-N 2.94Å; E60-K63 VanDerWaalsContact CD-CE 3.42Å; E60-K63 WeakPolarHBondContact O-CG 3.42Å; E60-K63 WeakPolarHBondContact OE1-CE 3.37Å; E60-K63 IonicContact OE1-NZ 2.66Å; E60-K63 PolarHBondContact OE1-NZ 2.8Å; E60-K63 WeakPolarHBondContact OE2-CE 3.24Å; E60-K63 IonicContact OE2-NZ 2.97Å; E60-K63 PolarHBondContact OE2-NZ 2.89Å; E60-R64 PolarHBondContact O-NH1 2.89Å; E60-R64 IonicContact OE2-CZ 3.5Å; E60-R64 IonicContact OE2-NH1 3.79Å; E60-R64 PolarHBondContact OE2-NH1 3.47Å; E60-R64 IonicContact OE2-NH2 2.75Å; E60-L161 HydrophobicContact CB-CD1 4.32Å; E60-L161 HydrophobicContact CB-CD2 4.01Å; E60-L161 HydrophobicContact CG-CD2 4.4Å
61F98.9Very high98.8Very high1 Ų138.1 Ų38.10%0.00419%0.193CC..Hα-helixtrans-75.9-44.9173.4-70.8-72.4000111.2I35 L57 A58 K63 R64 N65 V66 L68 I160 L161 V164I35-F61 HydrophobicContact CD1-CD1 3.65Å; I35-F61 HydrophobicContact CD1-CE1 3.44Å; I35-F61 VanDerWaalsContact CD1-CE1 3.44Å; I35-F61 HydrophobicContact CD1-CZ 4.23Å; L57-F61 HydrophobicContact CB-CD2 4.14Å; L57-F61 HydrophobicContact CB-CE2 3.82Å; L57-F61 HydrophobicContact CD1-CE2 4.49Å; L57-F61 VanDerWaalsContact O-CD2 3.29Å; L57-F61 WeakPolarHBondContact O-CD2 3.42Å; L57-F61 PolarHBondContact O-N 3.39Å; A58-F61 PolarHBondContact O-N 2.87Å; F61-K63 PolarHBondContact O-N 2.79Å; F61-R64 CarbonylContact O-C 3.48Å; F61-R64 WeakPolarHBondContact O-CA 3.4Å; F61-R64 WeakPolarHBondContact O-CB 3.47Å; F61-R64 PolarHBondContact O-N 3.07Å; F61-N65 PolarHBondContact O-N 3.37Å; F61-V66 CarbonylContact C-O 3.54Å; F61-V66 HydrophobicContact CB-CB 4.04Å; F61-V66 HydrophobicContact CB-CG1 4.43Å; F61-V66 HydrophobicContact CD1-CB 4.32Å; F61-V66 HydrophobicContact CD1-CG1 4.15Å; F61-V66 WeakPolarHBondContact O-CB 3.1Å; F61-V66 PolarHBondContact O-N 3.43Å; F61-L68 HydrophobicContact CB-CD1 4.3Å; F61-L68 HydrophobicContact CB-CG 4.32Å; F61-L68 HydrophobicContact CD2-CD1 3.69Å; F61-L68 HydrophobicContact CD2-CD2 4.22Å; F61-L68 HydrophobicContact CD2-CG 4.2Å; F61-L68 HydrophobicContact CE2-CD1 4.33Å; F61-L68 HydrophobicContact CE2-CD2 4.4Å; F61-L68 HydrophobicContact CG-CD1 4.19Å; F61-L68 HydrophobicContact CG-CD2 4.36Å; F61-L68 HydrophobicContact CG-CG 4.26Å; F61-I160 HydrophobicContact CE1-CG2 4.18Å; F61-I160 HydrophobicContact CZ-CG2 4.06Å; F61-L161 HydrophobicContact CD1-CD1 4.09Å; F61-L161 HydrophobicContact CE1-CB 4.23Å; F61-L161 HydrophobicContact CE1-CD1 3.87Å; F61-L161 HydrophobicContact CZ-CB 4.03Å; F61-L161 HydrophobicContact CZ-CD1 4.23Å; F61-V164 HydrophobicContact CE1-CG2 4.18Å
62A98.7Very high98.7Very high67 Ų6738.1 Ų38.155%0.55419%0.193SC*.Hα-helixtrans-59.7-43.9-179.800000112.3A58 P59 R64 N65A58-A62 WeakPolarHBondContact O-CB 3.37Å; A58-A62 PolarHBondContact O-N 2.89Å; P59-A62 PolarHBondContact O-N 2.76Å; A62-R64 PolarHBondContact O-N 2.89Å; A62-R64 VanDerWaalsContact O-N 3.09Å; A62-N65 PolarHBondContact O-N 2.94Å
63K98.6Very high98.6Very high129 Ų12938.7 Ų38.756%0.56120%0.196SC*.THydrogen-bonded Turntrans-64.7-14.3177.176.4-178.9-173.5-171.80113.9P59 E60 F61P59-K63 WeakPolarHBondContact O-CG 3.48Å; P59-K63 PolarHBondContact O-N 2.85Å; E60-K63 VanDerWaalsContact CD-CE 3.42Å; E60-K63 WeakPolarHBondContact O-CG 3.42Å; E60-K63 WeakPolarHBondContact OE1-CE 3.37Å; E60-K63 IonicContact OE1-NZ 2.66Å; E60-K63 PolarHBondContact OE1-NZ 2.8Å; E60-K63 WeakPolarHBondContact OE2-CE 3.24Å; E60-K63 IonicContact OE2-NZ 2.97Å; E60-K63 PolarHBondContact OE2-NZ 2.89Å; F61-K63 PolarHBondContact O-N 2.79Å
64R98.6Very high98.5Very high48 Ų4834.4 Ų34.418%0.18118%0.181CC..THydrogen-bonded Turntrans-101.314.8174.9-67.2176.9176.487.7-4.1112.2E60 F61 A62 V66 Q168E60-R64 PolarHBondContact O-NH1 2.89Å; E60-R64 IonicContact OE2-CZ 3.5Å; E60-R64 IonicContact OE2-NH1 3.79Å; E60-R64 PolarHBondContact OE2-NH1 3.47Å; E60-R64 IonicContact OE2-NH2 2.75Å; F61-R64 CarbonylContact O-C 3.48Å; F61-R64 WeakPolarHBondContact O-CA 3.4Å; F61-R64 WeakPolarHBondContact O-CB 3.47Å; F61-R64 PolarHBondContact O-N 3.07Å; A62-R64 PolarHBondContact O-N 2.89Å; A62-R64 VanDerWaalsContact O-N 3.09Å; R64-V66 VanDerWaalsContact C-N 3.28Å; R64-V66 HydrophobicContact CB-CG2 4.03Å; R64-V66 PolarHBondContact O-N 3.09Å; R64-Q168 PolarHBondContact O-NE2 3.02Å
65N98.8Very high98.4Very high83 Ų8335.4 Ų35.444%0.44419%0.188SC..THydrogen-bonded Turntrans55.242.4-176.1-17132.1000112.6S32 W33 F61 A62S32-N65 WeakPolarHBondContact CB-O 3.27Å; S32-N65 WeakPolarHBondContact CB-OD1 3.44Å; S32-N65 PolarHBondContact OG-OD1 3.07Å; W33-N65 PolarHBondContact N-O 3.32Å; F61-N65 PolarHBondContact O-N 3.37Å; A62-N65 PolarHBondContact O-N 2.94Å
66V98.9Very high98.4Very high7 Ų736 Ų364%0.04219%0.191CC..EExtended strand (participates in β ladder)trans-114125.5176.3-172.70000109.7W33 I35 F61 R64 V164W33-V66 HydrophobicContact CB-CB 4.26Å; W33-V66 HydrophobicContact CB-CG1 4.23Å; W33-V66 HydrophobicContact CB-CG2 3.87Å; W33-V66 WeakPolarHBondContact O-CA 3.5Å; I35-V66 HydrophobicContact CD1-CG1 3.71Å; I35-V66 HydrophobicContact CG1-CG1 3.67Å; F61-V66 CarbonylContact C-O 3.54Å; F61-V66 HydrophobicContact CB-CB 4.04Å; F61-V66 HydrophobicContact CB-CG1 4.43Å; F61-V66 HydrophobicContact CD1-CB 4.32Å; F61-V66 HydrophobicContact CD1-CG1 4.15Å; F61-V66 WeakPolarHBondContact O-CB 3.1Å; F61-V66 PolarHBondContact O-N 3.43Å; R64-V66 VanDerWaalsContact C-N 3.28Å; R64-V66 HydrophobicContact CB-CG2 4.03Å; R64-V66 PolarHBondContact O-N 3.09Å; V66-V164 HydrophobicContact CG2-CG1 3.72Å
67K98.9Very high98.4Very high73 Ų7337.8 Ų37.832%0.31720%0.201SC..EExtended strand (participates in β ladder)trans-94.2128.2172.3-69.7175.8179.3165.60110.2F28 L29 S32 W33 G34 I35F28-K67 HydrophobicContact CE1-CB 4.12Å; F28-K67 HydrophobicContact CZ-CB 4.1Å; F28-K67 HydrophobicContact CZ-CD 4.46Å; F28-K67 VanDerWaalsContact O-CD 3.23Å; F28-K67 WeakPolarHBondContact O-CD 3.44Å; F28-K67 PolarHBondContact O-NZ 3.14Å; L29-K67 PolarHBondContact O-NZ 2.94Å; S32-K67 WeakPolarHBondContact OG-CE 3.36Å; W33-K67 PolarHBondContact O-N 2.78Å; G34-K67 CarbonylContact C-O 3.52Å; G34-K67 WeakPolarHBondContact CA-O 3.37Å; I35-K67 PolarHBondContact N-O 3Å
68L98.9Very high98.4Very high11 Ų1140.2 Ų40.26%0.05821%0.214CC..EExtended strand (participates in β ladder)trans-89.3144.9172.1-74.5168.9000109.8I35 F37 A58 F61 F100I35-L68 HydrophobicContact CB-CD2 3.93Å; I35-L68 HydrophobicContact CD1-CD2 4.04Å; I35-L68 HydrophobicContact CG2-CD2 4.13Å; F37-L68 HydrophobicContact CD1-CD2 4.27Å; F37-L68 HydrophobicContact CE1-CB 4.14Å; F37-L68 HydrophobicContact CE1-CD2 3.86Å; A58-L68 HydrophobicContact CB-CD1 4.03Å; F61-L68 HydrophobicContact CB-CD1 4.3Å; F61-L68 HydrophobicContact CB-CG 4.32Å; F61-L68 HydrophobicContact CD2-CD1 3.69Å; F61-L68 HydrophobicContact CD2-CD2 4.22Å; F61-L68 HydrophobicContact CD2-CG 4.2Å; F61-L68 HydrophobicContact CE2-CD1 4.33Å; F61-L68 HydrophobicContact CE2-CD2 4.4Å; F61-L68 HydrophobicContact CG-CD1 4.19Å; F61-L68 HydrophobicContact CG-CD2 4.36Å; F61-L68 HydrophobicContact CG-CG 4.26Å; L68-F100 HydrophobicContact CB-CB 3.7Å; L68-F100 HydrophobicContact CB-CD1 3.95Å; L68-F100 HydrophobicContact CB-CG 4.01Å; L68-F100 HydrophobicContact CD1-CD1 3.93Å; L68-F100 HydrophobicContact CD1-CE1 4.4Å; L68-F100 VanDerWaalsContact O-CB 3.23Å; L68-F100 WeakPolarHBondContact O-CB 3.27Å
69I98.9Very high98.4Very high0 Ų039.7 Ų39.70%021%0.21CC..EExtended strand (participates in β ladder)trans-151.7126.4170.3-178.1159.1000110.1I23 F25 F28 I35 L36 F37 P101 I103I23-I69 HydrophobicContact CD1-CD1 3.43Å; I23-I69 VanDerWaalsContact CD1-CD1 3.43Å; F25-I69 HydrophobicContact CE2-CG2 4.01Å; F28-I69 HydrophobicContact CD1-CD1 4.12Å; F28-I69 HydrophobicContact CE1-CB 3.84Å; F28-I69 HydrophobicContact CE1-CD1 3.88Å; F28-I69 HydrophobicContact CE1-CG1 4.48Å; F28-I69 HydrophobicContact CE1-CG2 3.91Å; F28-I69 HydrophobicContact CZ-CB 4.02Å; F28-I69 HydrophobicContact CZ-CD1 4.13Å; I35-I69 WeakPolarHBondContact O-CG2 3.45Å; I35-I69 PolarHBondContact O-N 2.86Å; L36-I69 WeakPolarHBondContact CA-O 3.31Å; L36-I69 HydrophobicContact CB-CG2 4.1Å; L36-I69 HydrophobicContact CG-CG2 4.32Å; F37-I69 VanDerWaalsContact CD1-O 3.25Å; F37-I69 WeakPolarHBondContact CD1-O 3.43Å; F37-I69 WeakPolarHBondContact CE1-O 3.3Å; F37-I69 PolarHBondContact N-O 2.86Å; I69-P101 HydrophobicContact CB-CG 4.28Å; I69-P101 HydrophobicContact CD1-CG 3.82Å; I69-P101 HydrophobicContact CG1-CG 3.88Å; I69-I103 HydrophobicContact CD1-CD1 3.55Å; I69-I103 HydrophobicContact CD1-CG1 3.67Å; I69-I103 HydrophobicContact CG1-CD1 3.64Å; I69-I103 HydrophobicContact CG1-CG1 3.77Å
70A98.9Very high98.4Very high0 Ų037.9 Ų37.90%020%0.195CC..EExtended strand (participates in β ladder)trans-93.4162.1179.200000111F37 L51 F100 P101 I102 I103F37-A70 HydrophobicContact CD2-CB 4.25Å; F37-A70 HydrophobicContact CE1-CB 4.24Å; F37-A70 HydrophobicContact CE2-CB 3.63Å; F37-A70 HydrophobicContact CZ-CB 3.64Å; F37-A70 CarbonylContact O-C 3.47Å; F37-A70 VanDerWaalsContact O-CA 3.25Å; F37-A70 WeakPolarHBondContact O-CA 3.49Å; L51-A70 HydrophobicContact CD2-CB 4.31Å; A70-F100 HydrophobicContact CB-CD2 4.23Å; A70-F100 HydrophobicContact CB-CE2 4.18Å; A70-P101 PolarHBondContact N-O 2.76Å; A70-I102 HydrophobicContact CB-CB 4.31Å; A70-I102 HydrophobicContact CB-CG1 4.08Å; A70-I102 HydrophobicContact CB-CG2 4.08Å; A70-I103 WeakPolarHBondContact O-CB 3.27Å; A70-I103 WeakPolarHBondContact O-CG1 3.43Å; A70-I103 PolarHBondContact O-N 2.89Å
71L98.7Very high98.4Very high0 Ų036.9 Ų36.90%020%0.197CC..EExtended strand (participates in β ladder)trans-147.3135.8175.3-177.9151.8000111L36 F37 S38 H39 I103 D105 L110 M116 T130L36-L71 HydrophobicContact CD2-CB 4.41Å; F37-L71 PolarHBondContact O-N 2.96Å; S38-L71 CarbonylContact C-O 3.49Å; S38-L71 WeakPolarHBondContact CA-O 3.42Å; H39-L71 PolarHBondContact N-O 2.99Å; H39-L71 PolarHBondContact ND1-O 2.97Å; L71-I103 HydrophobicContact CB-CB 4.07Å; L71-I103 HydrophobicContact CB-CD1 4.31Å; L71-I103 HydrophobicContact CD1-CB 4.08Å; L71-I103 HydrophobicContact CD1-CD1 4.02Å; L71-I103 HydrophobicContact CD1-CG2 3.91Å; L71-I103 HydrophobicContact CG-CB 4.02Å; L71-I103 HydrophobicContact CG-CG2 4.19Å; L71-D105 HydrophobicContact CD1-CB 4.25Å; L71-D105 HydrophobicContact CD2-CB 4Å; L71-D105 HydrophobicContact CG-CB 4.13Å; L71-L110 HydrophobicContact CD1-CB 3.94Å; L71-L110 HydrophobicContact CD1-CD1 3.76Å; L71-M116 HydrophobicContact CD1-CE 4.04Å; L71-M116 HydrophobicContact CD2-CE 3.9Å; L71-T130 HydrophobicContact CD2-CG2 3.99Å
72S97.7Very high98.4Very high0 Ų036.9 Ų36.90%020%0.197CC..EExtended strand (participates in β ladder)trans-143175.7162.863.60000110.9H39 D42 D74 H79 I103 D105H39-S72 VanDerWaalsContact CE1-CB 3.42Å; H39-S72 WeakPolarHBondContact CE1-CB 3.36Å; H39-S72 PolarHBondContact CE1-OG 3.06Å; H39-S72 VanDerWaalsContact NE2-CB 3.27Å; H39-S72 WeakPolarHBondContact NE2-CB 3.32Å; H39-S72 PolarHBondContact NE2-OG 2.8Å; H39-S72 VanDerWaalsContact O-CB 3.31Å; H39-S72 WeakPolarHBondContact O-CB 3.34Å; D42-S72 PolarHBondContact OD1-OG 3.23Å; S72-D74 PolarHBondContact O-N 3.46Å; S72-D74 PolarHBondContact OG-OD2 3.31Å; S72-H79 PolarHBondContact OG-CE1 2.88Å; S72-I103 PolarHBondContact N-O 2.92Å; S72-D105 WeakPolarHBondContact O-CB 3.5Å; S72-D105 PolarHBondContact O-N 2.72Å
73I95.8Very high98.4Very high12 Ų1233.7 Ų33.76%0.06217%0.171CC..SBendtrans-86.910.517959.6149000112.9K106 R108 V129 T130I73-K106 WeakPolarHBondContact O-CA 3.38Å; I73-R108 HydrophobicContact CG2-CG 3.76Å; I73-V129 HydrophobicContact CD1-CB 3.8Å; I73-V129 HydrophobicContact CD1-CG1 3.49Å; I73-V129 VanDerWaalsContact CD1-CG1 3.49Å; I73-V129 HydrophobicContact CG1-CB 4.35Å; I73-V129 HydrophobicContact CG1-CG1 4.46Å; I73-T130 HydrophobicContact CG2-CG2 4.13Å
74D96.9Very high98.4Very high16 Ų1631.4 Ų31.49%0.08616%0.161CC..SBendtrans-90.6173.3177-58.1-74.9000111R41 D42 S72 D78 H79R41-D74 VanDerWaalsContact CA-OD2 3.25Å; R41-D74 WeakPolarHBondContact CA-OD2 3.37Å; R41-D74 WeakPolarHBondContact CG-OD1 3.38Å; R41-D74 VanDerWaalsContact CG-OD2 3.27Å; R41-D74 WeakPolarHBondContact CG-OD2 3.49Å; R41-D74 IonicContact NE-OD1 3.92Å; R41-D74 PolarHBondContact NE-OD1 2.82Å; D42-D74 HydrophobicContact CB-CB 4.24Å; D42-D74 PolarHBondContact N-OD2 3.32Å; S72-D74 PolarHBondContact O-N 3.46Å; S72-D74 PolarHBondContact OG-OD2 3.31Å; D74-D78 HydrophobicContact CB-CB 4.14Å; D74-H79 PolarHBondContact O-CE1 3.25Å; D74-H79 PolarHBondContact O-NE2 3.15Å
75S97.6Very high98.4Very high22 Ų2233 Ų3315%0.15417%0.173CC..  trans-82.6159.2-177.469.40000112.8E77 D78 H79S75-E77 WeakPolarHBondContact CB-OE2 3.5Å; S75-E77 PolarHBondContact O-N 3.43Å; S75-D78 PolarHBondContact N-OD2 2.73Å; S75-D78 PolarHBondContact O-N 2.87Å; S75-D78 VanDerWaalsContact O-N 3.13Å; S75-D78 PolarHBondContact OG-N 3.31Å; S75-D78 VanDerWaalsContact OG-N 3.13Å; S75-D78 PolarHBondContact OG-OD2 3.1Å; S75-H79 PolarHBondContact O-CD2 3.33Å; S75-H79 PolarHBondContact O-N 2.98Å; S75-H79 PolarHBondContact O-ND1 3.05Å
76V98.3Very high98.4Very high23 Ų2329.1 Ų29.114%0.13915%0.152CC..Hα-helixtrans-56.3-37.3171.2178.30000111.6N17 H79 L80 D104N17-V76 HydrophobicContact CB-CG2 4.09Å; V76-H79 PolarHBondContact O-N 3.16Å; V76-L80 HydrophobicContact CG1-CD1 4.06Å; V76-L80 HydrophobicContact CG1-CG 4.37Å; V76-L80 WeakPolarHBondContact O-CG 3.49Å; V76-L80 PolarHBondContact O-N 2.96Å; V76-D104 HydrophobicContact CG2-CB 3.5Å; V76-D104 PolarHBondContact N-OD2 2.96Å
77E98.3Very high98.4Very high130 Ų13029 Ų2961%0.60715%0.152SC*.Hα-helixtrans-62.1-43.8177.5-65.375.7-164.500111.7S75 L80 A81S75-E77 WeakPolarHBondContact CB-OE2 3.5Å; S75-E77 PolarHBondContact O-N 3.43Å; E77-L80 PolarHBondContact O-N 3.41Å; E77-A81 WeakPolarHBondContact O-CB 3.35Å; E77-A81 PolarHBondContact O-N 2.81Å
78D98.3Very high98.4Very high65 Ų6528 Ų2835%0.34816%0.157SC..Hα-helixtrans-64.6-43.6175-65.9-43.5000111.2F43 D74 S75 L80 A81 W82F43-D78 HydrophobicContact CE2-CB 4.1Å; D74-D78 HydrophobicContact CB-CB 4.14Å; S75-D78 PolarHBondContact N-OD2 2.73Å; S75-D78 PolarHBondContact O-N 2.87Å; S75-D78 VanDerWaalsContact O-N 3.13Å; S75-D78 PolarHBondContact OG-N 3.31Å; S75-D78 VanDerWaalsContact OG-N 3.13Å; S75-D78 PolarHBondContact OG-OD2 3.1Å; D78-L80 VanDerWaalsContact C-N 3.32Å; D78-L80 PolarHBondContact O-N 3.14Å; D78-A81 PolarHBondContact O-N 3Å; D78-W82 VanDerWaalsContact O-CB 3.25Å; D78-W82 WeakPolarHBondContact O-CB 3.33Å; D78-W82 PolarHBondContact O-N 3.2Å
79H98.7Very high98.3Very high0 Ų033.3 Ų33.30%018%0.177CC..Hα-helixtrans-58.1-43.9177.8-61.2-18.5000112.2T19 D42 S72 D74 S75 V76 S83 I102 I103T19-H79 HydrophobicContact CG2-CB 3.43Å; T19-H79 VanDerWaalsContact CG2-CB 3.43Å; D42-H79 IonicContact OD1-CE1 3.26Å; D42-H79 IonicContact OD1-ND1 3.71Å; D42-H79 PolarHBondContact OD1-ND1 3.27Å; D42-H79 VanDerWaalsContact OD2-CA 3.25Å; D42-H79 WeakPolarHBondContact OD2-CA 3.34Å; D42-H79 IonicContact OD2-CE1 2.72Å; D42-H79 IonicContact OD2-CG 3.71Å; D42-H79 PolarHBondContact OD2-N 3.36Å; D42-H79 IonicContact OD2-ND1 2.87Å; D42-H79 PolarHBondContact OD2-ND1 3.4Å; S72-H79 PolarHBondContact OG-CE1 2.88Å; D74-H79 PolarHBondContact O-CE1 3.25Å; D74-H79 PolarHBondContact O-NE2 3.15Å; S75-H79 PolarHBondContact O-CD2 3.33Å; S75-H79 PolarHBondContact O-N 2.98Å; S75-H79 PolarHBondContact O-ND1 3.05Å; V76-H79 PolarHBondContact O-N 3.16Å; H79-S83 WeakPolarHBondContact O-CB 3.45Å; H79-S83 PolarHBondContact O-N 2.83Å; H79-S83 PolarHBondContact O-OG 3.36Å; H79-I102 HydrophobicContact CB-CB 4.1Å; H79-I102 HydrophobicContact CB-CD1 4.18Å; H79-I102 HydrophobicContact CB-CG2 4.28Å; H79-I103 PolarHBondContact NE2-O 2.87Å; H79-I103 VanDerWaalsContact NE2-O 3.14Å
80L98.7Very high98.3Very high47 Ų4734.2 Ų34.225%0.24618%0.182CC..Hα-helixtrans-66.4-45.9178.5-70.8169.6000110.8T19 V76 E77 D78 S83 E96T19-L80 HydrophobicContact CG2-CD2 4.03Å; T19-L80 HydrophobicContact CG2-CG 4.18Å; V76-L80 HydrophobicContact CG1-CD1 4.06Å; V76-L80 HydrophobicContact CG1-CG 4.37Å; V76-L80 WeakPolarHBondContact O-CG 3.49Å; V76-L80 PolarHBondContact O-N 2.96Å; E77-L80 PolarHBondContact O-N 3.41Å; D78-L80 VanDerWaalsContact C-N 3.32Å; D78-L80 PolarHBondContact O-N 3.14Å; L80-S83 WeakPolarHBondContact O-CB 3.21Å; L80-S83 PolarHBondContact O-N 3.19Å; L80-E96 HydrophobicContact CB-CB 4.33Å; L80-E96 HydrophobicContact CB-CG 4.46Å; L80-E96 HydrophobicContact CD2-CB 4.04Å; L80-E96 WeakPolarHBondContact O-CG 3.18Å
81A98.6Very high98.3Very high41 Ų4140.1 Ų40.134%0.33922%0.222SC..Hα-helixtrans-60.9-46.8177.300000111.7F43 E77 D78 S83 K84F43-A81 HydrophobicContact CZ-CB 4.06Å; E77-A81 WeakPolarHBondContact O-CB 3.35Å; E77-A81 PolarHBondContact O-N 2.81Å; D78-A81 PolarHBondContact O-N 3Å; A81-S83 VanDerWaalsContact C-N 3.33Å; A81-S83 PolarHBondContact O-N 3.4Å; A81-K84 WeakPolarHBondContact O-CB 3.42Å; A81-K84 PolarHBondContact O-N 3.24Å
82W98.8Very high98.2Very high0 Ų044.4 Ų44.40%024%0.242CC..Hα-helixtrans-69.7-27.4-180-176.449.8000113.4H39 D42 F43 C47 T48 L51 D78 K84 D85 I86 I102H39-W82 AromaticContact CD2-CH2 3.91Å; H39-W82 AromaticContact CD2-CZ3 3.94Å; H39-W82 AromaticContact CE1-CZ3 3.73Å; H39-W82 AromaticContact NE2-CH2 3.72Å; H39-W82 AromaticContact NE2-CZ3 3.26Å; H39-W82 VanDerWaalsContact NE2-CZ3 3.26Å; H39-W82 WeakPolarHBondContact NE2-CZ3 3.23Å; D42-W82 HydrophobicContact CB-CB 4.26Å; D42-W82 HydrophobicContact CB-CD2 3.91Å; D42-W82 HydrophobicContact CB-CE3 3.81Å; D42-W82 HydrophobicContact CB-CG 4.1Å; D42-W82 HydrophobicContact CB-CZ3 4.43Å; D42-W82 VanDerWaalsContact CG-CE3 3.4Å; F43-W82 HydrophobicContact CD1-CB 4.03Å; F43-W82 AromaticContact CD1-CD1 3.48Å; F43-W82 VanDerWaalsContact CD1-CD1 3.48Å; F43-W82 HydrophobicContact CD1-CG 4.01Å; F43-W82 HydrophobicContact CD2-CB 4.45Å; F43-W82 HydrophobicContact CE1-CB 3.59Å; F43-W82 AromaticContact CE1-CD1 3.87Å; F43-W82 HydrophobicContact CE1-CG 4.07Å; F43-W82 HydrophobicContact CE2-CB 4.05Å; F43-W82 HydrophobicContact CG-CB 4.44Å; F43-W82 AromaticContact CG-CD1 3.94Å; F43-W82 HydrophobicContact CG-CG 4.3Å; F43-W82 HydrophobicContact CZ-CB 3.6Å; F43-W82 HydrophobicContact CZ-CG 4.41Å; C47-W82 HydrophobicContact CB-CH2 3.72Å; C47-W82 HydrophobicContact CB-CZ2 3.84Å; T48-W82 WeakPolarHBondContact OG1-CZ2 3.27Å; T48-W82 PolarHBondContact OG1-NE1 3.5Å; T48-W82 VanDerWaalsContact OG1-NE1 3.13Å; L51-W82 HydrophobicContact CB-CH2 4.41Å; L51-W82 HydrophobicContact CD1-CH2 4.06Å; L51-W82 HydrophobicContact CD2-CE3 4.44Å; L51-W82 HydrophobicContact CD2-CH2 3.7Å; L51-W82 HydrophobicContact CD2-CZ3 3.44Å; L51-W82 VanDerWaalsContact CD2-CZ3 3.44Å; L51-W82 HydrophobicContact CG-CH2 4.26Å; L51-W82 HydrophobicContact CG-CZ3 4.45Å; D78-W82 VanDerWaalsContact O-CB 3.25Å; D78-W82 WeakPolarHBondContact O-CB 3.33Å; D78-W82 PolarHBondContact O-N 3.2Å; W82-K84 PolarHBondContact O-N 3.02Å; W82-K84 VanDerWaalsContact O-N 3.15Å; W82-D85 WeakPolarHBondContact O-CA 3.29Å; W82-D85 WeakPolarHBondContact O-CB 3.49Å; W82-D85 PolarHBondContact O-N 3.02Å; W82-I86 HydrophobicContact CD2-CD1 3.71Å; W82-I86 HydrophobicContact CD2-CG1 4.16Å; W82-I86 HydrophobicContact CE3-CD1 3.6Å; W82-I86 HydrophobicContact CG-CD1 4.46Å; W82-I86 HydrophobicContact CH2-CD1 3.84Å; W82-I86 HydrophobicContact CH2-CG1 4.44Å; W82-I86 HydrophobicContact CZ2-CD1 3.95Å; W82-I86 HydrophobicContact CZ2-CG1 4.09Å; W82-I86 HydrophobicContact CZ3-CD1 3.67Å; W82-I86 PolarHBondContact O-N 2.86Å; W82-I86 VanDerWaalsContact O-N 3.07Å; W82-I102 HydrophobicContact CE3-CD1 4.48Å; W82-I102 HydrophobicContact CZ3-CD1 4.49Å
83S98.8Very high98.2Very high1 Ų151.8 Ų51.81%0.00728%0.276CS..Hα-helixtrans-57.7-28.7174.1-67.40000112.6H79 L80 A81 I86 N87 T95 E96 L98H79-S83 WeakPolarHBondContact O-CB 3.45Å; H79-S83 PolarHBondContact O-N 2.83Å; H79-S83 PolarHBondContact O-OG 3.36Å; L80-S83 WeakPolarHBondContact O-CB 3.21Å; L80-S83 PolarHBondContact O-N 3.19Å; A81-S83 VanDerWaalsContact C-N 3.33Å; A81-S83 PolarHBondContact O-N 3.4Å; S83-I86 PolarHBondContact O-N 2.67Å; S83-N87 PolarHBondContact O-N 3.01Å; S83-N87 PolarHBondContact O-ND2 3.01Å; S83-T95 CarbonylContact C-O 3.57Å; S83-E96 WeakPolarHBondContact CB-O 3.31Å; S83-L98 WeakPolarHBondContact OG-CD1 3.37Å
84K98.7Very high98.3Very high80 Ų8055 Ų5535%0.34830%0.298SS..Hα-helixtrans-62.8-43.1172.4-58.7-179.5-175.4168.40111.7A81 W82 N87 A88 P94 T95 E96A81-K84 WeakPolarHBondContact O-CB 3.42Å; A81-K84 PolarHBondContact O-N 3.24Å; W82-K84 PolarHBondContact O-N 3.02Å; W82-K84 VanDerWaalsContact O-N 3.15Å; K84-N87 PolarHBondContact O-N 2.68Å; K84-A88 VanDerWaalsContact O-CB 3.31Å; K84-A88 WeakPolarHBondContact O-CB 3.42Å; K84-A88 PolarHBondContact O-N 2.82Å; K84-P94 HydrophobicContact CB-CB 4.33Å; K84-P94 WeakPolarHBondContact CG-O 3.23Å; K84-T95 WeakPolarHBondContact CA-O 3.36Å; K84-T95 PolarHBondContact N-O 3.45Å; K84-E96 HydrophobicContact CD-CG 4.27Å; K84-E96 WeakPolarHBondContact CE-OE1 3.48Å; K84-E96 HydrophobicContact CG-CG 3.99Å; K84-E96 IonicContact NZ-OE1 2.72Å; K84-E96 PolarHBondContact NZ-OE1 2.97Å
85D98.8Very high98.4Very high83 Ų8356.6 Ų56.644%0.44431%0.308SS..Hα-helixtrans-68.3-38.8178.5-710.9000111.3W82 A88 Y89W82-D85 WeakPolarHBondContact O-CA 3.29Å; W82-D85 WeakPolarHBondContact O-CB 3.49Å; W82-D85 PolarHBondContact O-N 3.02Å; D85-A88 PolarHBondContact O-N 3Å; D85-Y89 VanDerWaalsContact O-CB 3.29Å; D85-Y89 WeakPolarHBondContact O-CB 3.32Å; D85-Y89 PolarHBondContact O-N 2.79Å
86I98.8Very high98.3Very high0 Ų059.7 Ų59.70%032%0.32CS..Hα-helixtrans-61.8-45.9175.4-66.5163.7000110.6T48 L51 W82 S83 Y89 N90 L98T48-I86 HydrophobicContact CG2-CG1 4.33Å; L51-I86 HydrophobicContact CB-CD1 3.78Å; L51-I86 HydrophobicContact CB-CG1 4.32Å; L51-I86 HydrophobicContact CB-CG2 4.29Å; L51-I86 HydrophobicContact CD2-CD1 3.78Å; L51-I86 HydrophobicContact CG-CD1 4.45Å; W82-I86 HydrophobicContact CD2-CD1 3.71Å; W82-I86 HydrophobicContact CD2-CG1 4.16Å; W82-I86 HydrophobicContact CE3-CD1 3.6Å; W82-I86 HydrophobicContact CG-CD1 4.46Å; W82-I86 HydrophobicContact CH2-CD1 3.84Å; W82-I86 HydrophobicContact CH2-CG1 4.44Å; W82-I86 HydrophobicContact CZ2-CD1 3.95Å; W82-I86 HydrophobicContact CZ2-CG1 4.09Å; W82-I86 HydrophobicContact CZ3-CD1 3.67Å; W82-I86 PolarHBondContact O-N 2.86Å; W82-I86 VanDerWaalsContact O-N 3.07Å; S83-I86 PolarHBondContact O-N 2.67Å; I86-Y89 PolarHBondContact O-N 2.67Å; I86-N90 PolarHBondContact O-N 3.46Å; I86-L98 HydrophobicContact CB-CD2 4.39Å; I86-L98 HydrophobicContact CD1-CD1 4.05Å; I86-L98 HydrophobicContact CG2-CD2 3.87Å
87N98.7Very high98.2Very high6 Ų667 Ų673%0.03235%0.35CS..Hα-helixtrans-65.3-43176.5-77.5-35.9000111.5S83 K84 Y89 N90 C91 E92 E93 T95 K97S83-N87 PolarHBondContact O-N 3.01Å; S83-N87 PolarHBondContact O-ND2 3.01Å; K84-N87 PolarHBondContact O-N 2.68Å; N87-Y89 PolarHBondContact O-N 2.91Å; N87-N90 CarbonylContact O-C 3.52Å; N87-N90 WeakPolarHBondContact O-CB 3.41Å; N87-N90 PolarHBondContact O-N 2.93Å; N87-N90 VanDerWaalsContact O-N 3.13Å; N87-C91 PolarHBondContact O-N 3.27Å; N87-E92 HydrophobicContact CB-CB 4.42Å; N87-E92 PolarHBondContact O-N 3.23Å; N87-E93 WeakPolarHBondContact CB-O 3.22Å; N87-T95 PolarHBondContact ND2-O 2.93Å; N87-K97 PolarHBondContact ND2-O 2.83Å
88A98.6Very high98.2Very high52 Ų5262 Ų6243%0.4333%0.328SS..Hα-helixtrans-61.8-41.8175.700000112.6K84 D85 N90 C91 P94K84-A88 VanDerWaalsContact O-CB 3.31Å; K84-A88 WeakPolarHBondContact O-CB 3.42Å; K84-A88 PolarHBondContact O-N 2.82Å; D85-A88 PolarHBondContact O-N 3Å; A88-N90 PolarHBondContact O-N 2.97Å; A88-C91 WeakPolarHBondContact O-CA 3.31Å; A88-C91 PolarHBondContact O-N 2.91Å; A88-P94 HydrophobicContact CB-CB 4.46Å
89Y98.6Very high98.2Very high122 Ų12262.9 Ų62.948%0.47834%0.337SS..Hα-helixtrans-56.9-37.2174.1167.8-99.9000112T48 T49 D85 I86 N87 C91T48-Y89 HydrophobicContact CG2-CG 4.1Å; T49-Y89 HydrophobicContact CG2-CE1 4.49Å; T49-Y89 HydrophobicContact CG2-CE2 3.97Å; T49-Y89 WeakPolarHBondContact CG2-OH 3.41Å; D85-Y89 VanDerWaalsContact O-CB 3.29Å; D85-Y89 WeakPolarHBondContact O-CB 3.32Å; D85-Y89 PolarHBondContact O-N 2.79Å; I86-Y89 PolarHBondContact O-N 2.67Å; N87-Y89 PolarHBondContact O-N 2.91Å; Y89-C91 PolarHBondContact O-N 2.87Å
90N98.4Very high98.2Very high19 Ų1963.1 Ų63.110%0.10234%0.338CS..THydrogen-bonded Turntrans-81.45.7176.8-87.2-16.9000114.4G52 K56 I86 N87 A88 E92G52-N90 VanDerWaalsContact CA-ND2 3.34Å; G52-N90 WeakPolarHBondContact CA-ND2 3.29Å; G52-N90 PolarHBondContact O-ND2 3.48Å; G52-N90 PolarHBondContact O-OD1 2.92Å; K56-N90 PolarHBondContact NZ-O 3.41Å; I86-N90 PolarHBondContact O-N 3.46Å; N87-N90 CarbonylContact O-C 3.52Å; N87-N90 WeakPolarHBondContact O-CB 3.41Å; N87-N90 PolarHBondContact O-N 2.93Å; N87-N90 VanDerWaalsContact O-N 3.13Å; A88-N90 PolarHBondContact O-N 2.97Å; N90-E92 HydrophobicContact CB-CG 4.3Å; N90-E92 PolarHBondContact O-N 3.4Å
91C98.1Very high98.2Very high123 Ų12361.3 Ų61.383%0.83133%0.329SS*.THydrogen-bonded Turntrans56.635.2-173.9-55.90000113.2N87 A88 Y89N87-C91 PolarHBondContact O-N 3.27Å; A88-C91 WeakPolarHBondContact O-CA 3.31Å; A88-C91 PolarHBondContact O-N 2.91Å; Y89-C91 PolarHBondContact O-N 2.87Å
92E97.8Very high98.2Very high91 Ų9159.3 Ų59.343%0.42531%0.313SS..SBendtrans-103.7172.2174.2-65.1-178-153.100111K56 N87 N90K56-E92 WeakPolarHBondContact CE-OE1 3.44Å; K56-E92 IonicContact NZ-OE1 2.66Å; K56-E92 PolarHBondContact NZ-OE1 3.17Å; N87-E92 HydrophobicContact CB-CB 4.42Å; N87-E92 PolarHBondContact O-N 3.23Å; N90-E92 HydrophobicContact CB-CG 4.3Å; N90-E92 PolarHBondContact O-N 3.4Å
93E97.8Very high98.2Very high154 Ų15459.3 Ų59.372%0.7231%0.313SS*.  trans-60.1130.7173.6-171.9179.5-178.900109.6N87 T95N87-E93 WeakPolarHBondContact CB-O 3.22Å; E93-T95 HydrophobicContact CB-CG2 4.09Å; E93-T95 HydrophobicContact CG-CG2 3.8Å; E93-T95 PolarHBondContact O-N 2.92Å
94P97.3Very high98.2Very high80 Ų8060.1 Ų60.152%0.51932%0.317SS..  trans-76.565.4-173.332.4-36.6000111.6K84 A88K84-P94 HydrophobicContact CB-CB 4.33Å; K84-P94 WeakPolarHBondContact CG-O 3.23Å; A88-P94 HydrophobicContact CB-CB 4.46Å
95T97.9Very high98.2Very high50 Ų5056.7 Ų56.731%0.30730%0.302SS..  trans-90.6165.2175.880.90000110.9S83 K84 N87 E93 K97S83-T95 CarbonylContact C-O 3.57Å; K84-T95 WeakPolarHBondContact CA-O 3.36Å; K84-T95 PolarHBondContact N-O 3.45Å; N87-T95 PolarHBondContact ND2-O 2.93Å; E93-T95 HydrophobicContact CB-CG2 4.09Å; E93-T95 HydrophobicContact CG-CG2 3.8Å; E93-T95 PolarHBondContact O-N 2.92Å; T95-K97 VanDerWaalsContact C-N 3.26Å; T95-K97 PolarHBondContact O-N 3.49Å; T95-K97 PolarHBondContact OG1-N 3.07Å
96E96.8Very high97.9Very high86 Ų8657.3 Ų57.340%0.40230%0.301SS..SBendtrans-83.4-3.9177.3-60.2173.3179.100112.5L80 S83 K84L80-E96 HydrophobicContact CB-CB 4.33Å; L80-E96 HydrophobicContact CB-CG 4.46Å; L80-E96 HydrophobicContact CD2-CB 4.04Å; L80-E96 WeakPolarHBondContact O-CG 3.18Å; S83-E96 WeakPolarHBondContact CB-O 3.31Å; K84-E96 HydrophobicContact CD-CG 4.27Å; K84-E96 WeakPolarHBondContact CE-OE1 3.48Å; K84-E96 HydrophobicContact CG-CG 3.99Å; K84-E96 IonicContact NZ-OE1 2.72Å; K84-E96 PolarHBondContact NZ-OE1 2.97Å
97K95.5Very high97.6Very high176 Ų17662.5 Ų62.577%0.76533%0.329SS*.  trans-91.7131.1-174.5-66.6-174.7-179179.90110.4N87 T95N87-K97 PolarHBondContact ND2-O 2.83Å; T95-K97 VanDerWaalsContact C-N 3.26Å; T95-K97 PolarHBondContact O-N 3.49Å; T95-K97 PolarHBondContact OG1-N 3.07Å
98L98.6Very high97.3Very high26 Ų2663.4 Ų63.414%0.13633%0.332CS..  trans-116.9159169.3-70.7176.1000109.7A55 S83 I86 F100 I102A55-L98 HydrophobicContact CB-CD2 4.36Å; S83-L98 WeakPolarHBondContact OG-CD1 3.37Å; I86-L98 HydrophobicContact CB-CD2 4.39Å; I86-L98 HydrophobicContact CD1-CD1 4.05Å; I86-L98 HydrophobicContact CG2-CD2 3.87Å; L98-F100 WeakPolarHBondContact CB-O 3.49Å; L98-F100 HydrophobicContact CD1-CE2 4.08Å; L98-F100 HydrophobicContact CD1-CZ 4.45Å; L98-F100 PolarHBondContact O-N 3.03Å; L98-F100 VanDerWaalsContact O-N 3.1Å; L98-I102 HydrophobicContact CD1-CD1 3.82Å; L98-I102 HydrophobicContact CD1-CG1 4.3Å
99P98.5Very high97.1Very high83 Ų8365.7 Ų65.754%0.53934%0.337SS..SBendtrans-72.11.8177.730.3-35.4000113.6A55 A58A55-P99 HydrophobicContact CB-CG 3.95Å; A58-P99 HydrophobicContact CB-CB 3.59Å; A58-P99 HydrophobicContact CB-CG 3.46Å; A58-P99 VanDerWaalsContact CB-CG 3.46Å
100F98.8Very high97Very high5 Ų560.4 Ų60.42%0.02232%0.317CS..SBendtrans-145153.3174.948.3-99.1000110.3F37 L51 A54 A55 L68 A70 L98F37-F100 HydrophobicContact CZ-CD2 4.1Å; F37-F100 HydrophobicContact CZ-CE1 4.49Å; F37-F100 AromaticContact CZ-CE2 3.83Å; F37-F100 HydrophobicContact CZ-CE2 3.83Å; F37-F100 HydrophobicContact CZ-CZ 4.05Å; L51-F100 HydrophobicContact CB-CZ 4.5Å; L51-F100 HydrophobicContact CD2-CE2 4.32Å; L51-F100 HydrophobicContact CG-CE2 4.37Å; L51-F100 HydrophobicContact CG-CZ 4.46Å; A54-F100 HydrophobicContact CB-CE1 3.71Å; A54-F100 HydrophobicContact CB-CZ 3.81Å; A55-F100 HydrophobicContact CB-CE1 4.15Å; A55-F100 HydrophobicContact CB-CZ 4.45Å; L68-F100 HydrophobicContact CB-CB 3.7Å; L68-F100 HydrophobicContact CB-CD1 3.95Å; L68-F100 HydrophobicContact CB-CG 4.01Å; L68-F100 HydrophobicContact CD1-CD1 3.93Å; L68-F100 HydrophobicContact CD1-CE1 4.4Å; L68-F100 VanDerWaalsContact O-CB 3.23Å; L68-F100 WeakPolarHBondContact O-CB 3.27Å; A70-F100 HydrophobicContact CB-CD2 4.23Å; A70-F100 HydrophobicContact CB-CE2 4.18Å; L98-F100 WeakPolarHBondContact CB-O 3.49Å; L98-F100 HydrophobicContact CD1-CE2 4.08Å; L98-F100 HydrophobicContact CD1-CZ 4.45Å; L98-F100 PolarHBondContact O-N 3.03Å; L98-F100 VanDerWaalsContact O-N 3.1Å
101P98.8Very high96.8Very high9 Ų959.5 Ų59.56%0.05831%0.312CS..  trans-75.6154.7173.928.6-31.2000112.6T19 V20 F28 I69 A70T19-P101 WeakPolarHBondContact OG1-CA 3.13Å; V20-P101 HydrophobicContact CG1-CB 4.38Å; V20-P101 HydrophobicContact CG2-CB 3.85Å; V20-P101 HydrophobicContact CG2-CG 4.43Å; F28-P101 HydrophobicContact CE2-CG 3.78Å; F28-P101 HydrophobicContact CZ-CG 3.94Å; I69-P101 HydrophobicContact CB-CG 4.28Å; I69-P101 HydrophobicContact CD1-CG 3.82Å; I69-P101 HydrophobicContact CG1-CG 3.88Å; A70-P101 PolarHBondContact N-O 2.76Å
102I98.9Very high96.5Very high0 Ų058.6 Ų58.60%030%0.298CS..EExtended strand (participates in β ladder)trans-111.2126.6167.1-46-177.9000107.8T18 T19 L51 A70 H79 W82 L98T18-I102 WeakPolarHBondContact CA-O 3.27Å; T18-I102 WeakPolarHBondContact CB-O 3.41Å; T19-I102 HydrophobicContact CG2-CB 4.01Å; T19-I102 HydrophobicContact CG2-CG1 4.36Å; T19-I102 PolarHBondContact N-O 3.03Å; T19-I102 VanDerWaalsContact N-O 3.1Å; T19-I102 PolarHBondContact OG1-N 2.65Å; T19-I102 VanDerWaalsContact OG1-N 3.11Å; L51-I102 HydrophobicContact CD2-CD1 3.82Å; L51-I102 HydrophobicContact CD2-CG1 4.48Å; A70-I102 HydrophobicContact CB-CB 4.31Å; A70-I102 HydrophobicContact CB-CG1 4.08Å; A70-I102 HydrophobicContact CB-CG2 4.08Å; H79-I102 HydrophobicContact CB-CB 4.1Å; H79-I102 HydrophobicContact CB-CD1 4.18Å; H79-I102 HydrophobicContact CB-CG2 4.28Å; W82-I102 HydrophobicContact CE3-CD1 4.48Å; W82-I102 HydrophobicContact CZ3-CD1 4.49Å; L98-I102 HydrophobicContact CD1-CD1 3.82Å; L98-I102 HydrophobicContact CD1-CG1 4.3Å
103I98.9Very high96.4Very high0 Ų058.5 Ų58.50%030%0.299CS..EExtended strand (participates in β ladder)trans-82.7130.7179.2-63164.4000110.4F14 A16 T18 I69 A70 L71 S72 H79 L110F14-I103 HydrophobicContact CE2-CD1 4.01Å; F14-I103 HydrophobicContact CZ-CD1 4Å; A16-I103 HydrophobicContact CB-CG2 3.65Å; T18-I103 HydrophobicContact CG2-CB 4.47Å; T18-I103 HydrophobicContact CG2-CG1 3.88Å; I69-I103 HydrophobicContact CD1-CD1 3.55Å; I69-I103 HydrophobicContact CD1-CG1 3.67Å; I69-I103 HydrophobicContact CG1-CD1 3.64Å; I69-I103 HydrophobicContact CG1-CG1 3.77Å; A70-I103 WeakPolarHBondContact O-CB 3.27Å; A70-I103 WeakPolarHBondContact O-CG1 3.43Å; A70-I103 PolarHBondContact O-N 2.89Å; L71-I103 HydrophobicContact CB-CB 4.07Å; L71-I103 HydrophobicContact CB-CD1 4.31Å; L71-I103 HydrophobicContact CD1-CB 4.08Å; L71-I103 HydrophobicContact CD1-CD1 4.02Å; L71-I103 HydrophobicContact CD1-CG2 3.91Å; L71-I103 HydrophobicContact CG-CB 4.02Å; L71-I103 HydrophobicContact CG-CG2 4.19Å; S72-I103 PolarHBondContact N-O 2.92Å; H79-I103 PolarHBondContact NE2-O 2.87Å; H79-I103 VanDerWaalsContact NE2-O 3.14Å; I103-L110 HydrophobicContact CG2-CD1 3.83Å
104D98.4Very high96.2Very high18 Ų1851.2 Ų51.210%0.09627%0.266CS..EExtended strand (participates in β ladder)trans-80.1113.4166.7172.4-20.6000109.4N17 V76 K106N17-D104 PolarHBondContact O-N 3.05Å; V76-D104 HydrophobicContact CG2-CB 3.5Å; V76-D104 PolarHBondContact N-OD2 2.96Å; D104-K106 WeakPolarHBondContact OD1-CB 3.35Å; D104-K106 WeakPolarHBondContact OD1-CG 3.39Å; D104-K106 PolarHBondContact OD1-N 2.75Å; D104-K106 IonicContact OD1-NZ 2.75Å; D104-K106 IonicContact OD2-NZ 3.72Å; D104-K106 PolarHBondContact OD2-NZ 2.74Å
105D97.6Very high96.1Very high7 Ų749 Ų494%0.03726%0.257CS..  trans-122.743.6173.2-170.538.3000111.6L71 S72 N107 R108 D109 L110 A111L71-D105 HydrophobicContact CD1-CB 4.25Å; L71-D105 HydrophobicContact CD2-CB 4Å; L71-D105 HydrophobicContact CG-CB 4.13Å; S72-D105 WeakPolarHBondContact O-CB 3.5Å; S72-D105 PolarHBondContact O-N 2.72Å; D105-N107 PolarHBondContact O-N 3.1Å; D105-R108 WeakPolarHBondContact O-CA 3.42Å; D105-R108 PolarHBondContact O-N 3.26Å; D105-R108 PolarHBondContact OD1-N 2.99Å; D105-R108 WeakPolarHBondContact OD2-CA 3.49Å; D105-D109 PolarHBondContact OD1-N 3.32Å; D105-L110 PolarHBondContact OD1-N 3.27Å; D105-L110 PolarHBondContact OD2-N 2.74Å; D105-A111 VanDerWaalsContact OD2-CB 3.26Å; D105-A111 WeakPolarHBondContact OD2-CB 2.93Å; D105-A111 PolarHBondContact OD2-N 3.39Å
106K93.4Very high95.9Very high96 Ų9646.6 Ų46.642%0.41724%0.243SC..THydrogen-bonded Turntrans-55-29.8-179.569.2-170.9143.9-135.50114.8I73 D104 R108I73-K106 WeakPolarHBondContact O-CA 3.38Å; D104-K106 WeakPolarHBondContact OD1-CB 3.35Å; D104-K106 WeakPolarHBondContact OD1-CG 3.39Å; D104-K106 PolarHBondContact OD1-N 2.75Å; D104-K106 IonicContact OD1-NZ 2.75Å; D104-K106 IonicContact OD2-NZ 3.72Å; D104-K106 PolarHBondContact OD2-NZ 2.74Å; K106-R108 VanDerWaalsContact C-N 3.29Å; K106-R108 PolarHBondContact O-NH1 2.82Å
107N91.6Very high95.5Very high109 Ų10945.1 Ų45.158%0.58324%0.237SC*.THydrogen-bonded Turntrans-80-11.7177.7-65.7-19.7000113D105 D109D105-N107 PolarHBondContact O-N 3.1Å; N107-D109 VanDerWaalsContact CB-OD2 3.23Å; N107-D109 WeakPolarHBondContact CB-OD2 3.23Å; N107-D109 PolarHBondContact O-N 3.11Å
108R93.6Very high95Very high25 Ų2537.4 Ų37.49%0.09420%0.204CC..  trans63.219.1-175.3-58.9147.6171.892.1-2.9113.5I73 D105 K106 L110 A111 I112 L117 D123 M127 P128I73-R108 HydrophobicContact CG2-CG 3.76Å; D105-R108 WeakPolarHBondContact O-CA 3.42Å; D105-R108 PolarHBondContact O-N 3.26Å; D105-R108 PolarHBondContact OD1-N 2.99Å; D105-R108 WeakPolarHBondContact OD2-CA 3.49Å; K106-R108 VanDerWaalsContact C-N 3.29Å; K106-R108 PolarHBondContact O-NH1 2.82Å; R108-L110 VanDerWaalsContact C-N 3.29Å; R108-L110 PolarHBondContact O-N 3.37Å; R108-A111 HydrophobicContact CB-CB 4.18Å; R108-A111 PolarHBondContact O-N 2.87Å; R108-I112 HydrophobicContact CB-CD1 4.25Å; R108-I112 HydrophobicContact CB-CG1 4.37Å; R108-I112 WeakPolarHBondContact O-CB 3.47Å; R108-I112 WeakPolarHBondContact O-CD1 3.37Å; R108-I112 WeakPolarHBondContact O-CG1 3.2Å; R108-I112 PolarHBondContact O-N 3.38Å; R108-L117 HydrophobicContact CG-CD2 4.41Å; R108-D123 IonicContact CZ-OD2 3.62Å; R108-D123 IonicContact NH1-OD2 3.69Å; R108-D123 VanDerWaalsContact NH2-CG 3.33Å; R108-D123 IonicContact NH2-OD2 3.51Å; R108-D123 PolarHBondContact NH2-OD2 3.1Å; R108-M127 VanDerWaalsContact NH2-CB 3.32Å; R108-P128 PolarHBondContact NE-O 2.8Å
109D94.1Very high94.1Very high100 Ų10041.6 Ų41.654%0.53523%0.233SC..Hα-helixtrans-61.4-44.5-178.3-67.2-38.6000109.5D105 N107 L113D105-D109 PolarHBondContact OD1-N 3.32Å; N107-D109 VanDerWaalsContact CB-OD2 3.23Å; N107-D109 WeakPolarHBondContact CB-OD2 3.23Å; N107-D109 PolarHBondContact O-N 3.11Å; D109-L113 WeakPolarHBondContact O-CB 3.42Å; D109-L113 PolarHBondContact O-N 2.89Å
110L95.8Very high93.3Very high12 Ų1241.3 Ų41.36%0.06324%0.237CC..Hα-helixtrans-76.4-39.3178.2-59-178.8000112F14 A16 L71 I103 D105 R108 I112 L113 L114F14-L110 HydrophobicContact CB-CD2 3.59Å; F14-L110 HydrophobicContact CD1-CD2 3.87Å; F14-L110 HydrophobicContact CD2-CD1 3.77Å; F14-L110 HydrophobicContact CD2-CD2 3.87Å; F14-L110 HydrophobicContact CE2-CD1 3.76Å; F14-L110 HydrophobicContact CG-CD1 4.23Å; F14-L110 HydrophobicContact CG-CD2 3.51Å; F14-L110 HydrophobicContact CZ-CD1 4.2Å; A16-L110 HydrophobicContact CB-CD1 4.09Å; L71-L110 HydrophobicContact CD1-CB 3.94Å; L71-L110 HydrophobicContact CD1-CD1 3.76Å; I103-L110 HydrophobicContact CG2-CD1 3.83Å; D105-L110 PolarHBondContact OD1-N 3.27Å; D105-L110 PolarHBondContact OD2-N 2.74Å; R108-L110 VanDerWaalsContact C-N 3.29Å; R108-L110 PolarHBondContact O-N 3.37Å; L110-I112 VanDerWaalsContact C-N 3.3Å; L110-I112 PolarHBondContact O-N 3.34Å; L110-L113 HydrophobicContact CD2-CD2 4.22Å; L110-L113 PolarHBondContact O-N 3.14Å; L110-L114 VanDerWaalsContact O-CB 3.27Å; L110-L114 WeakPolarHBondContact O-CB 3.29Å; L110-L114 WeakPolarHBondContact O-CG 3.33Å; L110-L114 PolarHBondContact O-N 3.31Å
111A94.4Very high92.5Very high0 Ų045 Ų450%026%0.255CS..Hα-helixtrans-59.5-40.8176.500000112D105 R108 G115 M116 L117 T130D105-A111 VanDerWaalsContact OD2-CB 3.26Å; D105-A111 WeakPolarHBondContact OD2-CB 2.93Å; D105-A111 PolarHBondContact OD2-N 3.39Å; R108-A111 HydrophobicContact CB-CB 4.18Å; R108-A111 PolarHBondContact O-N 2.87Å; A111-G115 PolarHBondContact O-N 3.41Å; A111-G115 VanDerWaalsContact O-N 3.14Å; A111-M116 PolarHBondContact O-N 3.04Å; A111-L117 HydrophobicContact CB-CD2 3.59Å; A111-L117 HydrophobicContact CB-CG 4.03Å; A111-T130 HydrophobicContact CB-CG2 3.49Å; A111-T130 VanDerWaalsContact CB-CG2 3.49Å
112I93Very high91.9Very high103 Ų10350.6 Ų50.653%0.52828%0.278SS..Hα-helixtrans-70.8-48.6174.1-66166.1000110.3R108 L110 L114 G115 L117R108-I112 HydrophobicContact CB-CD1 4.25Å; R108-I112 HydrophobicContact CB-CG1 4.37Å; R108-I112 WeakPolarHBondContact O-CB 3.47Å; R108-I112 WeakPolarHBondContact O-CD1 3.37Å; R108-I112 WeakPolarHBondContact O-CG1 3.2Å; R108-I112 PolarHBondContact O-N 3.38Å; L110-I112 VanDerWaalsContact C-N 3.3Å; L110-I112 PolarHBondContact O-N 3.34Å; I112-L114 VanDerWaalsContact C-N 3.29Å; I112-L114 PolarHBondContact O-N 3.01Å; I112-G115 PolarHBondContact O-N 3.01Å; I112-L117 HydrophobicContact CG1-CD1 3.68Å
113L93.7Very high91.1Very high89 Ų8951.9 Ų51.947%0.46629%0.285SS..Hα-helixtrans-56.7-43.2-178.4176.863.6000112.2P12 D109 L110P12-L113 HydrophobicContact CB-CD2 3.8Å; P12-L113 HydrophobicContact CG-CD2 4.01Å; P12-L113 HydrophobicContact CG-CG 4.21Å; D109-L113 WeakPolarHBondContact O-CB 3.42Å; D109-L113 PolarHBondContact O-N 2.89Å; L110-L113 HydrophobicContact CD2-CD2 4.22Å; L110-L113 PolarHBondContact O-N 3.14Å
114L95.4Very high90.3Very high2 Ų259.7 Ų59.71%0.0132%0.321CS..THydrogen-bonded Turntrans-91.9-2.9-176.4-60.9173000113L5 P12 L36 L110 I112 M116 F135L5-L114 HydrophobicContact CD1-CD2 3.66Å; L5-L114 HydrophobicContact CG-CD2 4.15Å; P12-L114 HydrophobicContact CG-CD2 3.84Å; L36-L114 HydrophobicContact CD1-CD1 4.07Å; L110-L114 VanDerWaalsContact O-CB 3.27Å; L110-L114 WeakPolarHBondContact O-CB 3.29Å; L110-L114 WeakPolarHBondContact O-CG 3.33Å; L110-L114 PolarHBondContact O-N 3.31Å; I112-L114 VanDerWaalsContact C-N 3.29Å; I112-L114 PolarHBondContact O-N 3.01Å; L114-M116 HydrophobicContact CB-CE 3.93Å; L114-M116 HydrophobicContact CB-CG 3.78Å; L114-M116 HydrophobicContact CB-SD 4.05Å; L114-M116 HydrophobicContact CD1-CE 3.62Å; L114-M116 HydrophobicContact CD1-SD 4.09Å; L114-M116 HydrophobicContact CG-CE 4.34Å; L114-F135 HydrophobicContact CB-CE2 3.96Å; L114-F135 HydrophobicContact CB-CZ 4.35Å; L114-F135 HydrophobicContact CD1-CE2 4.42Å
115G93.9Very high89.4Confident33 Ų3367.6 Ų67.634%0.3436%0.355SS..THydrogen-bonded Turntrans6639.518000000113.6A111 I112A111-G115 PolarHBondContact O-N 3.41Å; A111-G115 VanDerWaalsContact O-N 3.14Å; I112-G115 PolarHBondContact O-N 3.01Å
116M93.8Very high88.7Confident0 Ų069 Ų690%037%0.371CS..  trans-101.14.2-174.2-59-174.2-62.700114.3L36 L71 A111 L114 T130 A131 V133 F135L36-M116 HydrophobicContact CD2-SD 4.12Å; L71-M116 HydrophobicContact CD1-CE 4.04Å; L71-M116 HydrophobicContact CD2-CE 3.9Å; A111-M116 PolarHBondContact O-N 3.04Å; L114-M116 HydrophobicContact CB-CE 3.93Å; L114-M116 HydrophobicContact CB-CG 3.78Å; L114-M116 HydrophobicContact CB-SD 4.05Å; L114-M116 HydrophobicContact CD1-CE 3.62Å; L114-M116 HydrophobicContact CD1-SD 4.09Å; L114-M116 HydrophobicContact CG-CE 4.34Å; M116-T130 HydrophobicContact CB-CG2 4.23Å; M116-T130 CarbonylContact O-C 3.52Å; M116-T130 VanDerWaalsContact O-CA 3.31Å; M116-T130 WeakPolarHBondContact O-CA 3.45Å; M116-A131 PolarHBondContact O-N 3.48Å; M116-V133 HydrophobicContact CB-CB 4.38Å; M116-V133 HydrophobicContact CB-CG2 3.9Å; M116-V133 HydrophobicContact CG-CB 3.99Å; M116-V133 HydrophobicContact CG-CG1 4.14Å; M116-V133 HydrophobicContact CG-CG2 3.94Å; M116-V133 HydrophobicContact SD-CB 4.18Å; M116-V133 HydrophobicContact SD-CG1 4.44Å; M116-F135 HydrophobicContact CG-CE2 3.71Å; M116-F135 HydrophobicContact CG-CZ 4.13Å; M116-F135 HydrophobicContact SD-CD2 4.21Å; M116-F135 HydrophobicContact SD-CE2 3.54Å; M116-F135 VanDerWaalsContact SD-CE2 3.54Å
117L89.9Confident88.1Confident54 Ų5468.9 Ų68.928%0.28337%0.373SS..EExtended strand (participates in β ladder)trans-72.9133.6-178-68.6176000111.9R108 A111 I112 P128 V129R108-L117 HydrophobicContact CG-CD2 4.41Å; A111-L117 HydrophobicContact CB-CD2 3.59Å; A111-L117 HydrophobicContact CB-CG 4.03Å; I112-L117 HydrophobicContact CG1-CD1 3.68Å; L117-P128 HydrophobicContact CB-CB 4.26Å; L117-P128 HydrophobicContact CD1-CB 4.29Å; L117-P128 HydrophobicContact CD2-CB 4.14Å; L117-P128 HydrophobicContact CG-CB 4.47Å; L117-V129 WeakPolarHBondContact CA-O 3.5Å
118D83.3Confident87.9Confident15 Ų1565.4 Ų65.48%0.0836%0.357CS..EExtended strand (participates in β ladder)trans-80.2118.4166.5-167.1-49.6000108.3A120 E121 V129 A131D118-A120 VanDerWaalsContact C-N 3.27Å; D118-A120 PolarHBondContact O-N 2.95Å; D118-A120 PolarHBondContact OD1-N 3.47Å; D118-E121 HydrophobicContact CB-CB 4.07Å; D118-E121 HydrophobicContact CB-CG 4.42Å; D118-E121 PolarHBondContact OD1-N 3.37Å; D118-V129 PolarHBondContact N-O 2.73Å; D118-A131 HydrophobicContact CB-CB 4.01Å
119P80.6Confident87.6Confident113 Ų11364.6 Ų64.673%0.73435%0.354SS*.EExtended strand (participates in β ladder)trans-72.2-21.4-175.629-34.9000113.4
120A80.9Confident87.1Confident77 Ų7759.9 Ų59.964%0.63633%0.329SS*.EExtended strand (participates in β ladder)trans-94-36.1-175.800000112.1D118D118-A120 VanDerWaalsContact C-N 3.27Å; D118-A120 PolarHBondContact O-N 2.95Å; D118-A120 PolarHBondContact OD1-N 3.47Å
121E82Confident86.9Confident82 Ų8259.5 Ų59.538%0.38333%0.328SS..EExtended strand (participates in β ladder)trans-86.3129-177.8-62.3-63.8147.600111.7D118 P128 V129 A151D118-E121 HydrophobicContact CB-CB 4.07Å; D118-E121 HydrophobicContact CB-CG 4.42Å; D118-E121 PolarHBondContact OD1-N 3.37Å; E121-P128 WeakPolarHBondContact O-CA 3.32Å; E121-V129 HydrophobicContact CB-CG2 3.53Å; E121-V129 PolarHBondContact O-N 2.78Å; E121-A151 HydrophobicContact CG-CB 3.7Å
122K86.9Confident87Confident127 Ų12759.9 Ų59.955%0.55233%0.329SS*.EExtended strand (participates in β ladder)trans-132149.2-174.2-68.8173.3172.1-168.50111.2G126 M127K122-G126 VanDerWaalsContact CD-O 3.25Å; K122-G126 WeakPolarHBondContact CD-O 3.25Å; K122-M127 CarbonylContact C-O 3.58Å; K122-M127 VanDerWaalsContact CA-O 3.28Å; K122-M127 WeakPolarHBondContact CA-O 3.22Å
123D83.1Confident87.2Confident27 Ų2755.1 Ų55.114%0.14431%0.305CS..  trans-73.1179.4169.475.32000111.6R108 K125 G126 M127 V129R108-D123 IonicContact CZ-OD2 3.62Å; R108-D123 IonicContact NH1-OD2 3.69Å; R108-D123 VanDerWaalsContact NH2-CG 3.33Å; R108-D123 IonicContact NH2-OD2 3.51Å; R108-D123 PolarHBondContact NH2-OD2 3.1Å; D123-K125 PolarHBondContact O-N 3.28Å; D123-K125 VanDerWaalsContact O-N 3.09Å; D123-K125 VanDerWaalsContact OD1-CA 3.31Å; D123-K125 WeakPolarHBondContact OD1-CA 3.46Å; D123-K125 WeakPolarHBondContact OD1-CB 3.49Å; D123-K125 PolarHBondContact OD1-N 3.43Å; D123-G126 PolarHBondContact O-N 2.91Å; D123-G126 PolarHBondContact OD1-N 3.45Å; D123-G126 VanDerWaalsContact OD1-N 3.08Å; D123-M127 PolarHBondContact N-O 2.85Å; D123-M127 WeakPolarHBondContact OD1-CB 3.36Å; D123-M127 PolarHBondContact OD1-N 2.81Å; D123-V129 HydrophobicContact CB-CG1 4.21Å
124E80.3Confident87.4Confident164 Ų16451 Ų5177%0.76628%0.283SS*.THydrogen-bonded Turntrans-60.3-19.7178.9-70.9156.2-127.200113.8R41 G126R41-E124 IonicContact CZ-OE1 3.43Å; R41-E124 IonicContact NH1-OE1 3.08Å; R41-E124 PolarHBondContact NH1-OE1 3.47Å; R41-E124 VanDerWaalsContact NH1-OE1 3.08Å; R41-E124 IonicContact NH2-OE1 2.87Å; R41-E124 PolarHBondContact NH2-OE1 3.49Å; E124-G126 VanDerWaalsContact C-N 3.34Å
125K80.8Confident87.6Confident185 Ų18551.3 Ų51.380%0.80429%0.285SS*.THydrogen-bonded Turntrans-93.54177.4-57.9180-176.7172.50111.9D123 M127D123-K125 PolarHBondContact O-N 3.28Å; D123-K125 VanDerWaalsContact O-N 3.09Å; D123-K125 VanDerWaalsContact OD1-CA 3.31Å; D123-K125 WeakPolarHBondContact OD1-CA 3.46Å; D123-K125 WeakPolarHBondContact OD1-CB 3.49Å; D123-K125 PolarHBondContact OD1-N 3.43Å; K125-M127 VanDerWaalsContact C-N 3.3Å; K125-M127 HydrophobicContact CB-CG 4.48Å
126G83.1Confident87.8Confident36 Ų3649.7 Ų49.737%0.37127%0.268SS..SBendtrans77.612.4-178.800000114.1K122 D123 E124K122-G126 VanDerWaalsContact CD-O 3.25Å; K122-G126 WeakPolarHBondContact CD-O 3.25Å; D123-G126 PolarHBondContact O-N 2.91Å; D123-G126 PolarHBondContact OD1-N 3.45Å; D123-G126 VanDerWaalsContact OD1-N 3.08Å; E124-G126 VanDerWaalsContact C-N 3.34Å
127M80.8Confident88.1Confident93 Ų9349.8 Ų49.846%0.45827%0.269SS..PPolyproline II helixtrans-89.2134.9-179.5-68.7-66.1-66.400110.6R108 K122 D123 K125R108-M127 VanDerWaalsContact NH2-CB 3.32Å; K122-M127 CarbonylContact C-O 3.58Å; K122-M127 VanDerWaalsContact CA-O 3.28Å; K122-M127 WeakPolarHBondContact CA-O 3.22Å; D123-M127 PolarHBondContact N-O 2.85Å; D123-M127 WeakPolarHBondContact OD1-CB 3.36Å; D123-M127 PolarHBondContact OD1-N 2.81Å; K125-M127 VanDerWaalsContact C-N 3.3Å; K125-M127 HydrophobicContact CB-CG 4.48Å
128P86.1Confident88.5Confident37 Ų3747.2 Ų47.224%0.2426%0.255CS..EExtended strand (participates in β ladder)trans-52.1143.4177.5-29.136.8000113.2R108 L117 E121R108-P128 PolarHBondContact NE-O 2.8Å; L117-P128 HydrophobicContact CB-CB 4.26Å; L117-P128 HydrophobicContact CD1-CB 4.29Å; L117-P128 HydrophobicContact CD2-CB 4.14Å; L117-P128 HydrophobicContact CG-CB 4.47Å; E121-P128 WeakPolarHBondContact O-CA 3.32Å
129V87.4Confident89.2Confident8 Ų848.8 Ų48.85%0.04827%0.266CS..EExtended strand (participates in β ladder)trans-102.7170.9172.2-49.70000110.1P40 I73 L117 D118 E121 D123P40-V129 HydrophobicContact CB-CG2 3.86Å; I73-V129 HydrophobicContact CD1-CB 3.8Å; I73-V129 HydrophobicContact CD1-CG1 3.49Å; I73-V129 VanDerWaalsContact CD1-CG1 3.49Å; I73-V129 HydrophobicContact CG1-CB 4.35Å; I73-V129 HydrophobicContact CG1-CG1 4.46Å; L117-V129 WeakPolarHBondContact CA-O 3.5Å; D118-V129 PolarHBondContact N-O 2.73Å; E121-V129 HydrophobicContact CB-CG2 3.53Å; E121-V129 PolarHBondContact O-N 2.78Å; D123-V129 HydrophobicContact CB-CG1 4.21Å
130T84.6Confident90.1Very high0 Ų047 Ų470%025%0.251CS..EExtended strand (participates in β ladder)trans-72.2141.8175.339.60000112H39 P40 L71 I73 A111 M116H39-T130 PolarHBondContact O-OG1 2.81Å; P40-T130 WeakPolarHBondContact CA-O 3.45Å; P40-T130 WeakPolarHBondContact CB-O 3.24Å; P40-T130 WeakPolarHBondContact CG-O 3.39Å; L71-T130 HydrophobicContact CD2-CG2 3.99Å; I73-T130 HydrophobicContact CG2-CG2 4.13Å; A111-T130 HydrophobicContact CB-CG2 3.49Å; A111-T130 VanDerWaalsContact CB-CG2 3.49Å; M116-T130 HydrophobicContact CB-CG2 4.23Å; M116-T130 CarbonylContact O-C 3.52Å; M116-T130 VanDerWaalsContact O-CA 3.31Å; M116-T130 WeakPolarHBondContact O-CA 3.45Å
131A90.9Very high90.9Very high4 Ų444.7 Ų44.73%0.03323%0.226CC..  trans-69.1179.1162.900000110.6S38 M116 D118 V133S38-A131 PolarHBondContact OG-O 2.82Å; M116-A131 PolarHBondContact O-N 3.48Å; D118-A131 HydrophobicContact CB-CB 4.01Å; A131-V133 HydrophobicContact CB-CG2 4.1Å; A131-V133 PolarHBondContact O-N 3.48Å
132R96.4Very high91.7Very high8 Ų845.1 Ų45.13%0.0323%0.227CC..EExtended strand (participates in β ladder)trans-89.172.7174.2-64-178.9-170-64.8-14.8109.9P40 V46 C47 E50 Y149 P150 A151 T153 R155P40-R132 HydrophobicContact CG-CG 4.32Å; V46-R132 VanDerWaalsContact CG1-CZ 3.45Å; C47-R132 PolarHBondContact SG-NH1 2.72Å; C47-R132 PolarHBondContact SG-NH2 2.7Å; E50-R132 IonicContact OE1-NH1 3.99Å; E50-R132 IonicContact OE2-CZ 3.69Å; E50-R132 IonicContact OE2-NH1 2.66Å; E50-R132 PolarHBondContact OE2-NH1 2.87Å; R132-Y149 WeakPolarHBondContact CA-O 3.39Å; R132-Y149 WeakPolarHBondContact CB-O 3.45Å; R132-Y149 PolarHBondContact N-O 3.34Å; R132-Y149 PolarHBondContact O-N 3.27Å; R132-P150 WeakPolarHBondContact CD-O 3.43Å; R132-A151 VanDerWaalsContact CZ-O 3.29Å; R132-A151 PolarHBondContact NE-O 2.66Å; R132-A151 PolarHBondContact NH2-O 3.37Å; R132-T153 WeakPolarHBondContact CD-O 3.45Å; R132-R155 HydrophobicContact CB-CG 4.37Å
133V97.6Very high92.3Very high4 Ų439.1 Ų39.12%0.02420%0.201CC..EExtended strand (participates in β ladder)trans-88.9145.8-179.9-173.30000110.2F37 S38 M116 A131 F135 I147 L148 R155F37-V133 CarbonylContact C-O 3.53Å; F37-V133 VanDerWaalsContact CA-O 3.26Å; F37-V133 WeakPolarHBondContact CA-O 3.45Å; S38-V133 PolarHBondContact N-O 2.97Å; S38-V133 PolarHBondContact OG-N 2.82Å; M116-V133 HydrophobicContact CB-CB 4.38Å; M116-V133 HydrophobicContact CB-CG2 3.9Å; M116-V133 HydrophobicContact CG-CB 3.99Å; M116-V133 HydrophobicContact CG-CG1 4.14Å; M116-V133 HydrophobicContact CG-CG2 3.94Å; M116-V133 HydrophobicContact SD-CB 4.18Å; M116-V133 HydrophobicContact SD-CG1 4.44Å; A131-V133 HydrophobicContact CB-CG2 4.1Å; A131-V133 PolarHBondContact O-N 3.48Å; V133-F135 HydrophobicContact CG1-CD1 4.38Å; V133-F135 HydrophobicContact CG1-CD2 4.07Å; V133-F135 HydrophobicContact CG1-CE1 3.95Å; V133-F135 HydrophobicContact CG1-CE2 3.61Å; V133-F135 HydrophobicContact CG1-CG 4.45Å; V133-F135 HydrophobicContact CG1-CZ 3.54Å; V133-I147 CarbonylContact C-O 3.47Å; V133-I147 VanDerWaalsContact CA-O 3.28Å; V133-I147 WeakPolarHBondContact CA-O 3.47Å; V133-L148 HydrophobicContact CG2-CD1 4.1Å; V133-L148 HydrophobicContact CG2-CG 4.2Å; V133-R155 PolarHBondContact O-NH1 3.26Å
134V98.7Very high93Very high1 Ų140.9 Ų40.91%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-127.9128.4169.5-178.80000107.6I35 L36 F37 V136 S146 I147 I160I35-V134 HydrophobicContact CG2-CG1 3.81Å; L36-V134 WeakPolarHBondContact O-CA 3.26Å; F37-V134 HydrophobicContact CB-CG2 4.09Å; V134-V136 HydrophobicContact CG1-CG2 4.37Å; V134-S146 CarbonylContact O-C 3.56Å; V134-S146 WeakPolarHBondContact O-CA 3.38Å; V134-I147 HydrophobicContact CB-CB 4.31Å; V134-I147 PolarHBondContact N-O 3.31Å; V134-I147 PolarHBondContact O-N 3.24Å; V134-I160 HydrophobicContact CG1-CD1 4.39Å; V134-I160 HydrophobicContact CG2-CD1 3.94Å
135F98.9Very high93.9Very high9 Ų934.9 Ų34.94%0.03918%0.18CC..EExtended strand (participates in β ladder)trans-116130.7168.5-63-65000109.6L5 I35 L36 L114 M116 V133 F137 L143L5-F135 HydrophobicContact CB-CE1 4.37Å; L5-F135 HydrophobicContact CD1-CE1 4.48Å; I35-F135 VanDerWaalsContact CA-O 3.32Å; I35-F135 WeakPolarHBondContact CA-O 3.35Å; L36-F135 HydrophobicContact CD2-CD2 4.27Å; L36-F135 PolarHBondContact N-O 2.69Å; L36-F135 PolarHBondContact O-N 3.05Å; L114-F135 HydrophobicContact CB-CE2 3.96Å; L114-F135 HydrophobicContact CB-CZ 4.35Å; L114-F135 HydrophobicContact CD1-CE2 4.42Å; M116-F135 HydrophobicContact CG-CE2 3.71Å; M116-F135 HydrophobicContact CG-CZ 4.13Å; M116-F135 HydrophobicContact SD-CD2 4.21Å; M116-F135 HydrophobicContact SD-CE2 3.54Å; M116-F135 VanDerWaalsContact SD-CE2 3.54Å; V133-F135 HydrophobicContact CG1-CD1 4.38Å; V133-F135 HydrophobicContact CG1-CD2 4.07Å; V133-F135 HydrophobicContact CG1-CE1 3.95Å; V133-F135 HydrophobicContact CG1-CE2 3.61Å; V133-F135 HydrophobicContact CG1-CG 4.45Å; V133-F135 HydrophobicContact CG1-CZ 3.54Å; F135-F137 HydrophobicContact CB-CD2 4.32Å; F135-F137 HydrophobicContact CB-CE1 4.35Å; F135-F137 HydrophobicContact CB-CE2 3.52Å; F135-F137 HydrophobicContact CB-CZ 3.54Å; F135-F137 HydrophobicContact CD2-CZ 4.5Å; F135-F137 HydrophobicContact CG-CE2 4.41Å; F135-F137 HydrophobicContact CG-CZ 4.06Å; F135-L143 HydrophobicContact CB-CD1 3.8Å; F135-L143 HydrophobicContact CD1-CD1 3.63Å; F135-L143 HydrophobicContact CD1-CD2 4.2Å; F135-L143 HydrophobicContact CG-CD1 4.15Å
136V98.9Very high94.8Very high0 Ų028.9 Ų28.90%016%0.162CC..EExtended strand (participates in β ladder)trans-109.2117.1173.2-172.30000108.7W33 G34 I35 V134 K144 L145 V164 L167W33-V136 HydrophobicContact CE3-CG1 4.17Å; W33-V136 HydrophobicContact CZ3-CG1 4.41Å; G34-V136 CarbonylContact O-C 3.57Å; G34-V136 WeakPolarHBondContact O-CA 3.45Å; I35-V136 HydrophobicContact CG1-CG1 4.41Å; I35-V136 HydrophobicContact CG1-CG2 4.33Å; V134-V136 HydrophobicContact CG1-CG2 4.37Å; V136-K144 PolarHBondContact O-N 3.49Å; V136-L145 HydrophobicContact CB-CB 4.22Å; V136-L145 HydrophobicContact CG2-CB 4.29Å; V136-L145 HydrophobicContact CG2-CD2 4.03Å; V136-L145 PolarHBondContact N-O 3.47Å; V136-L145 PolarHBondContact O-N 3.07Å; V136-V164 HydrophobicContact CG1-CG2 4.43Å; V136-L167 HydrophobicContact CB-CD1 4.35Å; V136-L167 HydrophobicContact CG1-CD1 3.9Å
137F98.9Very high95.5Very high1 Ų129 Ų290%0.00415%0.153CC..EExtended strand (participates in β ladder)trans-106.6140.4179.3-58.4-72.7000111L5 A11 F25 L29 W33 G34 L36 F135 K142 L143L5-F137 HydrophobicContact CD1-CE1 3.95Å; L5-F137 HydrophobicContact CD1-CZ 3.91Å; A11-F137 HydrophobicContact CB-CD1 3.71Å; A11-F137 HydrophobicContact CB-CE1 3.55Å; A11-F137 HydrophobicContact CB-CE2 4.39Å; A11-F137 HydrophobicContact CB-CG 4.21Å; A11-F137 HydrophobicContact CB-CZ 3.91Å; F25-F137 AromaticContact CE1-CD2 3.95Å; F25-F137 HydrophobicContact CE1-CD2 3.95Å; F25-F137 AromaticContact CE1-CE2 3.86Å; F25-F137 HydrophobicContact CE1-CE2 3.86Å; F25-F137 AromaticContact CZ-CD2 3.89Å; F25-F137 HydrophobicContact CZ-CD2 3.89Å; F25-F137 AromaticContact CZ-CE2 3.85Å; F25-F137 HydrophobicContact CZ-CE2 3.85Å; L29-F137 HydrophobicContact CD1-CB 4.43Å; W33-F137 WeakPolarHBondContact CA-O 3.46Å; G34-F137 PolarHBondContact N-O 2.78Å; G34-F137 PolarHBondContact O-N 2.89Å; L36-F137 HydrophobicContact CB-CE2 4.06Å; F135-F137 HydrophobicContact CB-CD2 4.32Å; F135-F137 HydrophobicContact CB-CE1 4.35Å; F135-F137 HydrophobicContact CB-CE2 3.52Å; F135-F137 HydrophobicContact CB-CZ 3.54Å; F135-F137 HydrophobicContact CD2-CZ 4.5Å; F135-F137 HydrophobicContact CG-CE2 4.41Å; F135-F137 HydrophobicContact CG-CZ 4.06Å; F137-K142 WeakPolarHBondContact CA-O 3.16Å; F137-L143 HydrophobicContact CD1-CB 4.19Å; F137-L143 HydrophobicContact CD1-CD1 4.14Å; F137-L143 HydrophobicContact CE1-CB 4Å; F137-L143 HydrophobicContact CE1-CD1 3.76Å; F137-L143 HydrophobicContact CE1-CG 4.5Å; F137-L143 HydrophobicContact CZ-CD1 4.27Å
138G98.8Very high96.2Very high0 Ų030.2 Ų30.20%016%0.161CC..  trans-79.3170.7171.200000112.5D140 K141 K142G138-D140 PolarHBondContact O-N 3.2Å; G138-D140 VanDerWaalsContact O-N 3.14Å; G138-K141 WeakPolarHBondContact O-CA 3.5Å; G138-K141 PolarHBondContact O-N 2.92Å; G138-K142 PolarHBondContact N-O 2.66Å
139P98.6Very high96.7Very high49 Ų4932.2 Ų32.232%0.31816%0.164SC..THydrogen-bonded Turntrans-56.7-26.7172-26.636.3000113.3D31 W33 K141D31-P139 WeakPolarHBondContact O-CB 3.39Å; W33-P139 HydrophobicContact CG-CG 4.35Å; P139-K141 PolarHBondContact O-N 2.88Å; P139-K141 PolarHBondContact O-NZ 3.05Å
140D98.5Very high97Very high76 Ų7634.6 Ų34.641%0.40618%0.18SC..THydrogen-bonded Turntrans-75.310.2173.268.4-18.8000114G138 K142 K144G138-D140 PolarHBondContact O-N 3.2Å; G138-D140 VanDerWaalsContact O-N 3.14Å; D140-K142 PolarHBondContact O-N 3.39Å; D140-K142 PolarHBondContact OD1-N 2.95Å; D140-K144 WeakPolarHBondContact OD1-CE 3.31Å; D140-K144 IonicContact OD1-NZ 3.3Å; D140-K144 PolarHBondContact OD1-NZ 3.34Å; D140-K144 IonicContact OD2-NZ 3.08Å; D140-K144 PolarHBondContact OD2-NZ 3.23Å
141K98.7Very high97.3Very high27 Ų2735.3 Ų35.312%0.11719%0.186CC..SBendtrans62.86.1-178.9-50.6-63.9174.8-72.60114.5E10 A11 H26 L29 G30 G138 P139E10-K141 HydrophobicContact CG-CB 4.01Å; A11-K141 WeakPolarHBondContact CB-O 3.26Å; A11-K141 PolarHBondContact N-O 3.06Å; H26-K141 HydrophobicContact CB-CD 4.17Å; H26-K141 WeakPolarHBondContact O-CE 3.44Å; L29-K141 HydrophobicContact CB-CD 4.33Å; L29-K141 HydrophobicContact CD1-CD 3.87Å; G30-K141 WeakPolarHBondContact O-CE 3.2Å; G30-K141 PolarHBondContact O-NZ 2.79Å; G138-K141 WeakPolarHBondContact O-CA 3.5Å; G138-K141 PolarHBondContact O-N 2.92Å; P139-K141 PolarHBondContact O-N 2.88Å; P139-K141 PolarHBondContact O-NZ 3.05Å
142K98.8Very high97.3Very high91 Ų9140.3 Ų40.340%0.39622%0.216SC..BIsolated β-bridgetrans-90.1143.9-177.2-68.6179.9176.3-1750112.4G8 D9 F137 G138 D140 K144G8-K142 VanDerWaalsContact O-CD 3.32Å; G8-K142 WeakPolarHBondContact O-CD 3.37Å; G8-K142 WeakPolarHBondContact O-CG 3.21Å; D9-K142 CarbonylContact O-C 3.58Å; D9-K142 VanDerWaalsContact O-CA 3.25Å; D9-K142 WeakPolarHBondContact O-CA 3.39Å; F137-K142 WeakPolarHBondContact CA-O 3.16Å; G138-K142 PolarHBondContact N-O 2.66Å; D140-K142 PolarHBondContact O-N 3.39Å; D140-K142 PolarHBondContact OD1-N 2.95Å; K142-K144 WeakPolarHBondContact O-CE 3.28Å; K142-K144 PolarHBondContact O-N 2.96Å
143L98.8Very high97.3Very high2 Ų243 Ų431%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-64.4125.9174.5-175.566.9000110.4L5 L6 L7 G8 D9 F135 F137 L145L5-L143 HydrophobicContact CB-CD2 3.78Å; L6-L143 WeakPolarHBondContact O-CD2 3.16Å; L7-L143 HydrophobicContact CD2-CG 4.42Å; G8-L143 PolarHBondContact N-O 3.17Å; D9-L143 PolarHBondContact O-N 3.34Å; F135-L143 HydrophobicContact CB-CD1 3.8Å; F135-L143 HydrophobicContact CD1-CD1 3.63Å; F135-L143 HydrophobicContact CD1-CD2 4.2Å; F135-L143 HydrophobicContact CG-CD1 4.15Å; F137-L143 HydrophobicContact CD1-CB 4.19Å; F137-L143 HydrophobicContact CD1-CD1 4.14Å; F137-L143 HydrophobicContact CE1-CB 4Å; F137-L143 HydrophobicContact CE1-CD1 3.76Å; F137-L143 HydrophobicContact CE1-CG 4.5Å; F137-L143 HydrophobicContact CZ-CD1 4.27Å; L143-L145 VanDerWaalsContact CD1-O 3.32Å; L143-L145 WeakPolarHBondContact CD1-O 3.43Å
144K98.8Very high97.3Very high64 Ų6444.6 Ų44.628%0.27825%0.251SS..EExtended strand (participates in β ladder)trans-108.1-29.7179.9-53.5-55.2179.2-1760112.8L7 W33 V136 D140 K142 L167L7-K144 WeakPolarHBondContact CD2-O 3.32Å; W33-K144 HydrophobicContact CH2-CG 4.19Å; W33-K144 HydrophobicContact CZ3-CB 4.19Å; W33-K144 HydrophobicContact CZ3-CG 3.71Å; V136-K144 PolarHBondContact O-N 3.49Å; D140-K144 WeakPolarHBondContact OD1-CE 3.31Å; D140-K144 IonicContact OD1-NZ 3.3Å; D140-K144 PolarHBondContact OD1-NZ 3.34Å; D140-K144 IonicContact OD2-NZ 3.08Å; D140-K144 PolarHBondContact OD2-NZ 3.23Å; K142-K144 WeakPolarHBondContact O-CE 3.28Å; K142-K144 PolarHBondContact O-N 2.96Å; K144-L167 HydrophobicContact CB-CD1 4Å; K144-L167 HydrophobicContact CB-CD2 4.02Å
145L98.8Very high97.3Very high38 Ų3845.6 Ų45.620%0.19925%0.254CS..EExtended strand (participates in β ladder)trans-159.4144.2179.4-178.3147.2000109.8V136 L143 I147 V163 L167V136-L145 HydrophobicContact CB-CB 4.22Å; V136-L145 HydrophobicContact CG2-CB 4.29Å; V136-L145 HydrophobicContact CG2-CD2 4.03Å; V136-L145 PolarHBondContact N-O 3.47Å; V136-L145 PolarHBondContact O-N 3.07Å; L143-L145 VanDerWaalsContact CD1-O 3.32Å; L143-L145 WeakPolarHBondContact CD1-O 3.43Å; L145-I147 HydrophobicContact CD2-CD1 4.02Å; L145-I147 HydrophobicContact CD2-CG1 3.68Å; L145-V163 HydrophobicContact CD1-CB 3.79Å; L145-V163 HydrophobicContact CD1-CG1 4.02Å; L145-V163 HydrophobicContact CD1-CG2 3.84Å; L145-V163 HydrophobicContact CD2-CG2 4.25Å; L145-L167 HydrophobicContact CB-CD1 4Å
146S98.4Very high97.2Very high59 Ų5949.2 Ų49.241%0.41327%0.274SS..EExtended strand (participates in β ladder)trans-134.3147169.960.80000111.8V134V134-S146 CarbonylContact O-C 3.56Å; V134-S146 WeakPolarHBondContact O-CA 3.38Å
147I97.7Very high97.2Very high37 Ų3749.5 Ų49.519%0.1928%0.275CS..EExtended strand (participates in β ladder)trans-130.3136.6173.6-54.4176.3000107.8V133 V134 L145 Y149 I160V133-I147 CarbonylContact C-O 3.47Å; V133-I147 VanDerWaalsContact CA-O 3.28Å; V133-I147 WeakPolarHBondContact CA-O 3.47Å; V134-I147 HydrophobicContact CB-CB 4.31Å; V134-I147 PolarHBondContact N-O 3.31Å; V134-I147 PolarHBondContact O-N 3.24Å; L145-I147 HydrophobicContact CD2-CD1 4.02Å; L145-I147 HydrophobicContact CD2-CG1 3.68Å; I147-Y149 HydrophobicContact CG2-CD1 3.32Å; I147-Y149 HydrophobicContact CG2-CE1 3.2Å; I147-Y149 HydrophobicContact CG2-CG 4.39Å; I147-I160 HydrophobicContact CD1-CG1 4.49Å
148L96.9Very high97.2Very high120 Ų12053.5 Ų53.563%0.62830%0.297SS*.EExtended strand (participates in β ladder)trans-123.4108.6175.4-175.9143.7000109.1V133V133-L148 HydrophobicContact CG2-CD1 4.1Å; V133-L148 HydrophobicContact CG2-CG 4.2Å
149Y96.9Very high97.2Very high78 Ų7856.6 Ų56.631%0.30631%0.312SS..EExtended strand (participates in β ladder)trans-108.4145.4174.5-81.929.7000109.5R132 I147 T153 R155R132-Y149 WeakPolarHBondContact CA-O 3.39Å; R132-Y149 WeakPolarHBondContact CB-O 3.45Å; R132-Y149 PolarHBondContact N-O 3.34Å; R132-Y149 PolarHBondContact O-N 3.27Å; I147-Y149 HydrophobicContact CG2-CD1 3.32Å; I147-Y149 HydrophobicContact CG2-CE1 3.2Å; I147-Y149 HydrophobicContact CG2-CG 4.39Å; Y149-T153 HydrophobicContact CD2-CG2 3.86Å; Y149-T153 HydrophobicContact CE2-CG2 4.15Å; Y149-R155 HydrophobicContact CD2-CB 4.45Å; Y149-R155 HydrophobicContact CD2-CG 3.74Å; Y149-R155 HydrophobicContact CE2-CG 4.3Å; Y149-R155 HydrophobicContact CG-CG 4.05Å
150P93.4Very high97.2Very high59 Ų5954.5 Ų54.538%0.38330%0.297SS..  trans-70.4162.4173.132.1-36.1000110.8R132 T152 T153R132-P150 WeakPolarHBondContact CD-O 3.43Å; P150-T152 PolarHBondContact O-N 3.02Å; P150-T153 PolarHBondContact O-N 3.36Å; P150-T153 VanDerWaalsContact O-N 3.12Å
151A89.6Confident97.2Very high14 Ų1451.9 Ų51.912%0.11628%0.283CS..THydrogen-bonded Turntrans-54.8-29.2176.700000113.7P40 E121 R132 T153P40-A151 HydrophobicContact CB-CB 4.37Å; P40-A151 HydrophobicContact CG-CB 3.62Å; E121-A151 HydrophobicContact CG-CB 3.7Å; R132-A151 VanDerWaalsContact CZ-O 3.29Å; R132-A151 PolarHBondContact NE-O 2.66Å; R132-A151 PolarHBondContact NH2-O 3.37Å; A151-T153 VanDerWaalsContact C-N 3.33Å; A151-T153 PolarHBondContact O-N 2.93Å
152T91.3Very high97.2Very high109 Ų10953.3 Ų53.367%0.66929%0.288SS*.THydrogen-bonded Turntrans-75.3-14.4-177.557.90000114.7P150P150-T152 PolarHBondContact O-N 3.02Å
153T96.6Very high97.2Very high65 Ų6549.5 Ų49.540%0.39927%0.272SS..SBendtrans-120107.8-173.9-53.50000111.1R132 Y149 P150 A151R132-T153 WeakPolarHBondContact CD-O 3.45Å; Y149-T153 HydrophobicContact CD2-CG2 3.86Å; Y149-T153 HydrophobicContact CE2-CG2 4.15Å; P150-T153 PolarHBondContact O-N 3.36Å; P150-T153 VanDerWaalsContact O-N 3.12Å; A151-T153 VanDerWaalsContact C-N 3.33Å; A151-T153 PolarHBondContact O-N 2.93Å
154G96.8Very high97.2Very high38 Ų3849.4 Ų49.439%0.39227%0.272SS..  trans-63.5142173.900000112.3
155R98.6Very high97.2Very high21 Ų2147.4 Ų47.48%0.07926%0.264CS..  trans-79.3151.5-177-69.6166.4-73.3-162.7-4.5112.4S38 E50 R132 V133 Y149 F157S38-R155 PolarHBondContact O-NH1 3.14Å; S38-R155 PolarHBondContact O-NH2 3.03Å; E50-R155 WeakPolarHBondContact OE1-CB 3.3Å; E50-R155 WeakPolarHBondContact OE1-CG 3.48Å; E50-R155 IonicContact OE1-CZ 2.74Å; E50-R155 PolarHBondContact OE1-N 3.31Å; E50-R155 IonicContact OE1-NE 3.69Å; E50-R155 PolarHBondContact OE1-NE 2.9Å; E50-R155 IonicContact OE1-NH2 3.7Å; E50-R155 IonicContact OE2-CZ 2.8Å; E50-R155 IonicContact OE2-NE 3.91Å; E50-R155 PolarHBondContact OE2-NE 3.44Å; E50-R155 IonicContact OE2-NH2 3.67Å; E50-R155 PolarHBondContact OE2-NH2 3.26Å; R132-R155 HydrophobicContact CB-CG 4.37Å; V133-R155 PolarHBondContact O-NH1 3.26Å; Y149-R155 HydrophobicContact CD2-CB 4.45Å; Y149-R155 HydrophobicContact CD2-CG 3.74Å; Y149-R155 HydrophobicContact CE2-CG 4.3Å; Y149-R155 HydrophobicContact CG-CG 4.05Å; R155-F157 HydrophobicContact CB-CE2 4.38Å
156N98.6Very high97.2Very high85 Ų8546.2 Ų46.246%0.45526%0.259SS..  trans-91.4103.8170.9-175.7-11000110.4D158 E159 I160N156-D158 VanDerWaalsContact C-N 3.31Å; N156-D158 PolarHBondContact O-N 3.01Å; N156-D158 WeakPolarHBondContact OD1-CB 3.32Å; N156-D158 PolarHBondContact OD1-N 3.37Å; N156-E159 HydrophobicContact CB-CB 4.1Å; N156-E159 WeakPolarHBondContact O-CB 3.47Å; N156-E159 PolarHBondContact O-N 3.09Å; N156-E159 PolarHBondContact OD1-N 2.85Å; N156-I160 PolarHBondContact O-N 3.49Å
157F98.4Very high97.3Very high6 Ų644.9 Ų44.93%0.02625%0.247CC..Hα-helixtrans-73.1-19.8178-84.3-101.1000114.2F37 E50 R53 A54 L57 R155 E159 I160 L161F37-F157 HydrophobicContact CD2-CZ 4.39Å; F37-F157 HydrophobicContact CE2-CZ 4.46Å; E50-F157 HydrophobicContact CB-CE2 3.96Å; E50-F157 HydrophobicContact CG-CE2 4.19Å; R53-F157 HydrophobicContact CG-CB 3.86Å; R53-F157 HydrophobicContact CG-CD2 4.37Å; R53-F157 HydrophobicContact CG-CG 4.2Å; A54-F157 HydrophobicContact CB-CD1 4.16Å; A54-F157 HydrophobicContact CB-CE1 3.5Å; A54-F157 VanDerWaalsContact CB-CE1 3.5Å; A54-F157 HydrophobicContact CB-CZ 3.85Å; L57-F157 HydrophobicContact CD1-CB 3.71Å; R155-F157 HydrophobicContact CB-CE2 4.38Å; F157-E159 VanDerWaalsContact C-N 3.31Å; F157-I160 HydrophobicContact CD1-CD1 4.03Å; F157-I160 HydrophobicContact CD2-CD1 4.36Å; F157-I160 HydrophobicContact CE1-CD1 4.17Å; F157-I160 HydrophobicContact CE2-CD1 4.49Å; F157-I160 HydrophobicContact CG-CD1 4.14Å; F157-I160 HydrophobicContact CZ-CD1 4.41Å; F157-I160 PolarHBondContact O-N 3.41Å; F157-L161 PolarHBondContact O-N 2.85Å
158D98.4Very high97.3Very high85 Ų8544.5 Ų44.546%0.45525%0.245SC..Hα-helixtrans-68.9-36.8172.4-60.4-21.8000109.9R53 N156 L161 R162R53-D158 IonicContact CZ-OD1 2.73Å; R53-D158 IonicContact NE-OD1 2.66Å; R53-D158 IonicContact NH2-OD1 3.66Å; R53-D158 PolarHBondContact NH2-OD1 3.35Å; R53-D158 IonicContact NH2-OD2 3.48Å; N156-D158 VanDerWaalsContact C-N 3.31Å; N156-D158 PolarHBondContact O-N 3.01Å; N156-D158 WeakPolarHBondContact OD1-CB 3.32Å; N156-D158 PolarHBondContact OD1-N 3.37Å; D158-L161 PolarHBondContact O-N 2.72Å; D158-R162 WeakPolarHBondContact O-CB 3.42Å; D158-R162 PolarHBondContact O-N 2.95Å
159E98.8Very high97.4Very high66 Ų6639.7 Ų39.731%0.30822%0.219SC..Hα-helixtrans-65.4-42.5172.2177.858.1-162.900111.6N156 F157 L161 R162 V163N156-E159 HydrophobicContact CB-CB 4.1Å; N156-E159 WeakPolarHBondContact O-CB 3.47Å; N156-E159 PolarHBondContact O-N 3.09Å; N156-E159 PolarHBondContact OD1-N 2.85Å; F157-E159 VanDerWaalsContact C-N 3.31Å; E159-L161 VanDerWaalsContact C-N 3.31Å; E159-L161 PolarHBondContact O-N 2.67Å; E159-R162 VanDerWaalsContact CD-NE 3.34Å; E159-R162 WeakPolarHBondContact O-CB 3.46Å; E159-R162 PolarHBondContact O-N 3.24Å; E159-R162 VanDerWaalsContact O-N 3.17Å; E159-R162 IonicContact OE1-CZ 3.24Å; E159-R162 IonicContact OE1-NE 3.45Å; E159-R162 PolarHBondContact OE1-NE 3.49Å; E159-R162 IonicContact OE1-NH2 2.67Å; E159-R162 PolarHBondContact OE1-NH2 2.73Å; E159-R162 WeakPolarHBondContact OE2-CD 3.35Å; E159-R162 IonicContact OE2-CZ 3.27Å; E159-R162 IonicContact OE2-NE 3.65Å; E159-R162 PolarHBondContact OE2-NE 3.13Å; E159-R162 IonicContact OE2-NH2 2.67Å; E159-V163 WeakPolarHBondContact O-CG2 3.16Å; E159-V163 PolarHBondContact O-N 3.5Å; E159-V163 WeakPolarHBondContact OE1-CG1 3.31Å
160I98.8Very high97.5Very high4 Ų438.4 Ų38.42%0.02122%0.219CC..Hα-helixtrans-58.9-44.5176-63.2170.9000110.4I35 F61 V134 I147 N156 F157 V163 V164I35-I160 HydrophobicContact CD1-CG2 3.91Å; F61-I160 HydrophobicContact CE1-CG2 4.18Å; F61-I160 HydrophobicContact CZ-CG2 4.06Å; V134-I160 HydrophobicContact CG1-CD1 4.39Å; V134-I160 HydrophobicContact CG2-CD1 3.94Å; I147-I160 HydrophobicContact CD1-CG1 4.49Å; N156-I160 PolarHBondContact O-N 3.49Å; F157-I160 HydrophobicContact CD1-CD1 4.03Å; F157-I160 HydrophobicContact CD2-CD1 4.36Å; F157-I160 HydrophobicContact CE1-CD1 4.17Å; F157-I160 HydrophobicContact CE2-CD1 4.49Å; F157-I160 HydrophobicContact CG-CD1 4.14Å; F157-I160 HydrophobicContact CZ-CD1 4.41Å; F157-I160 PolarHBondContact O-N 3.41Å; I160-V163 VanDerWaalsContact O-CG2 3.22Å; I160-V163 WeakPolarHBondContact O-CG2 3.25Å; I160-V164 VanDerWaalsContact O-CG2 3.31Å; I160-V164 WeakPolarHBondContact O-CG2 3.32Å; I160-V164 PolarHBondContact O-N 3.44Å; I160-V164 VanDerWaalsContact O-N 3.15Å
161L98.8Very high97.6Very high21 Ų2139 Ų3911%0.1123%0.23CC..Hα-helixtrans-65-42.7175.4-17760000111.8E60 F61 F157 D158 E159 V163 V164 I165E60-L161 HydrophobicContact CB-CD1 4.32Å; E60-L161 HydrophobicContact CB-CD2 4.01Å; E60-L161 HydrophobicContact CG-CD2 4.4Å; F61-L161 HydrophobicContact CD1-CD1 4.09Å; F61-L161 HydrophobicContact CE1-CB 4.23Å; F61-L161 HydrophobicContact CE1-CD1 3.87Å; F61-L161 HydrophobicContact CZ-CB 4.03Å; F61-L161 HydrophobicContact CZ-CD1 4.23Å; F157-L161 PolarHBondContact O-N 2.85Å; D158-L161 PolarHBondContact O-N 2.72Å; E159-L161 VanDerWaalsContact C-N 3.31Å; E159-L161 PolarHBondContact O-N 2.67Å; L161-V163 PolarHBondContact O-N 3.13Å; L161-V164 WeakPolarHBondContact O-CB 3.41Å; L161-V164 PolarHBondContact O-N 2.95Å; L161-I165 HydrophobicContact CG-CD1 4.28Å; L161-I165 WeakPolarHBondContact O-CG1 3.49Å; L161-I165 PolarHBondContact O-N 3.31Å; L161-I165 VanDerWaalsContact O-N 3.1Å
162R98.8Very high98Very high57 Ų5745.4 Ų45.422%0.21526%0.257CS..Hα-helixtrans-59.2-45.9178.7-169.5-160.275.173.85.4111.8D158 E159 I165 S166 W181D158-R162 WeakPolarHBondContact O-CB 3.42Å; D158-R162 PolarHBondContact O-N 2.95Å; E159-R162 VanDerWaalsContact CD-NE 3.34Å; E159-R162 WeakPolarHBondContact O-CB 3.46Å; E159-R162 PolarHBondContact O-N 3.24Å; E159-R162 VanDerWaalsContact O-N 3.17Å; E159-R162 IonicContact OE1-CZ 3.24Å; E159-R162 IonicContact OE1-NE 3.45Å; E159-R162 PolarHBondContact OE1-NE 3.49Å; E159-R162 IonicContact OE1-NH2 2.67Å; E159-R162 PolarHBondContact OE1-NH2 2.73Å; E159-R162 WeakPolarHBondContact OE2-CD 3.35Å; E159-R162 IonicContact OE2-CZ 3.27Å; E159-R162 IonicContact OE2-NE 3.65Å; E159-R162 PolarHBondContact OE2-NE 3.13Å; E159-R162 IonicContact OE2-NH2 2.67Å; R162-I165 PolarHBondContact O-N 3.06Å; R162-S166 PolarHBondContact O-N 3.48Å; R162-W181 WeakPolarHBondContact CD-O 3.32Å; R162-W181 HydrophobicContact CG-CE3 4.41Å; R162-W181 HydrophobicContact CG-CZ3 4.47Å; R162-W181 PolarHBondContact NH1-O 3.3Å
163V98.8Very high98.3Very high11 Ų1144.4 Ų44.47%0.06724%0.244CC..Hα-helixtrans-70.1-31.7178.7-620000112.5L145 E159 I160 L161 I165 S166 L167L145-V163 HydrophobicContact CD1-CB 3.79Å; L145-V163 HydrophobicContact CD1-CG1 4.02Å; L145-V163 HydrophobicContact CD1-CG2 3.84Å; L145-V163 HydrophobicContact CD2-CG2 4.25Å; E159-V163 WeakPolarHBondContact O-CG2 3.16Å; E159-V163 PolarHBondContact O-N 3.5Å; E159-V163 WeakPolarHBondContact OE1-CG1 3.31Å; I160-V163 VanDerWaalsContact O-CG2 3.22Å; I160-V163 WeakPolarHBondContact O-CG2 3.25Å; L161-V163 PolarHBondContact O-N 3.13Å; V163-I165 VanDerWaalsContact C-N 3.34Å; V163-S166 PolarHBondContact O-N 2.92Å; V163-L167 WeakPolarHBondContact O-CB 3.42Å; V163-L167 WeakPolarHBondContact O-CG 3.27Å; V163-L167 PolarHBondContact O-N 2.75Å
164V98.8Very high98.3Very high0 Ų046.7 Ų46.70%025%0.245CC..Hα-helixtrans-59.7-46.3171.3162.40000110.9I35 F61 V66 V136 I160 L161 S166 L167 Q168I35-V164 HydrophobicContact CD1-CG2 3.85Å; F61-V164 HydrophobicContact CE1-CG2 4.18Å; V66-V164 HydrophobicContact CG2-CG1 3.72Å; V136-V164 HydrophobicContact CG1-CG2 4.43Å; I160-V164 VanDerWaalsContact O-CG2 3.31Å; I160-V164 WeakPolarHBondContact O-CG2 3.32Å; I160-V164 PolarHBondContact O-N 3.44Å; I160-V164 VanDerWaalsContact O-N 3.15Å; L161-V164 WeakPolarHBondContact O-CB 3.41Å; L161-V164 PolarHBondContact O-N 2.95Å; V164-S166 VanDerWaalsContact C-N 3.33Å; V164-S166 PolarHBondContact O-N 2.94Å; V164-L167 PolarHBondContact O-N 3.2Å; V164-Q168 WeakPolarHBondContact O-CG 3.14Å; V164-Q168 PolarHBondContact O-N 2.78Å
165I98.8Very high98.4Very high22 Ų2245.1 Ų45.111%0.11323%0.228CC..Hα-helixtrans-62.3-43.9178.5-60164.8000110L161 R162 V163 Q168 L169 W181 D183L161-I165 HydrophobicContact CG-CD1 4.28Å; L161-I165 WeakPolarHBondContact O-CG1 3.49Å; L161-I165 PolarHBondContact O-N 3.31Å; L161-I165 VanDerWaalsContact O-N 3.1Å; R162-I165 PolarHBondContact O-N 3.06Å; V163-I165 VanDerWaalsContact C-N 3.34Å; I165-Q168 PolarHBondContact O-N 2.73Å; I165-L169 VanDerWaalsContact O-CB 3.3Å; I165-L169 WeakPolarHBondContact O-CB 3.42Å; I165-L169 PolarHBondContact O-N 3.16Å; I165-W181 HydrophobicContact CB-CH2 4.36Å; I165-W181 HydrophobicContact CB-CZ3 4.42Å; I165-W181 HydrophobicContact CG2-CH2 3.72Å; I165-W181 HydrophobicContact CG2-CZ3 4.26Å; I165-D183 HydrophobicContact CD1-CB 4.27Å; I165-D183 HydrophobicContact CG2-CB 4.3Å
166S98.9Very high98.4Very high14 Ų1445.9 Ų45.910%0.09824%0.239CC..Hα-helixtrans-60-47.6175172.10000112.5R162 V163 V164 Q168 L169 T170 T177R162-S166 PolarHBondContact O-N 3.48Å; V163-S166 PolarHBondContact O-N 2.92Å; V164-S166 VanDerWaalsContact C-N 3.33Å; V164-S166 PolarHBondContact O-N 2.94Å; S166-Q168 VanDerWaalsContact C-N 3.35Å; S166-Q168 PolarHBondContact O-N 3.5Å; S166-L169 PolarHBondContact O-N 2.66Å; S166-T170 WeakPolarHBondContact O-CB 3.5Å; S166-T170 VanDerWaalsContact O-CG2 3.27Å; S166-T170 WeakPolarHBondContact O-CG2 3.43Å; S166-T170 PolarHBondContact O-N 2.73Å; S166-T170 PolarHBondContact O-OG1 3.44Å; S166-T177 VanDerWaalsContact OG-CG2 3.31Å; S166-T177 WeakPolarHBondContact OG-CG2 3.32Å; S166-T177 PolarHBondContact OG-OG1 2.95Å
167L98.8Very high98.4Very high31 Ų3143.4 Ų43.416%0.16223%0.226CC..Hα-helixtrans-61.6-41.8-179.7-75.1170.3000112W33 V136 K144 L145 V163 V164 T170 A171W33-L167 HydrophobicContact CH2-CB 3.88Å; W33-L167 HydrophobicContact CZ3-CB 3.93Å; W33-L167 HydrophobicContact CZ3-CD1 4.29Å; V136-L167 HydrophobicContact CB-CD1 4.35Å; V136-L167 HydrophobicContact CG1-CD1 3.9Å; K144-L167 HydrophobicContact CB-CD1 4Å; K144-L167 HydrophobicContact CB-CD2 4.02Å; L145-L167 HydrophobicContact CB-CD1 4Å; V163-L167 WeakPolarHBondContact O-CB 3.42Å; V163-L167 WeakPolarHBondContact O-CG 3.27Å; V163-L167 PolarHBondContact O-N 2.75Å; V164-L167 PolarHBondContact O-N 3.2Å; L167-T170 PolarHBondContact O-OG1 3.49Å; L167-A171 VanDerWaalsContact O-CB 3.31Å; L167-A171 WeakPolarHBondContact O-CB 3.37Å; L167-A171 PolarHBondContact O-N 3.12Å
168Q98.8Very high98.4Very high29 Ų2945 Ų4514%0.13624%0.237CC..Hα-helixtrans-67.8-46176.2-70.8-177.2-21.800111.7W33 R64 V164 I165 S166 T170 A171 E172W33-Q168 VanDerWaalsContact CD1-NE2 3.28Å; W33-Q168 HydrophobicContact CD2-CG 4.29Å; W33-Q168 HydrophobicContact CZ2-CG 3.88Å; R64-Q168 PolarHBondContact O-NE2 3.02Å; V164-Q168 WeakPolarHBondContact O-CG 3.14Å; V164-Q168 PolarHBondContact O-N 2.78Å; I165-Q168 PolarHBondContact O-N 2.73Å; S166-Q168 VanDerWaalsContact C-N 3.35Å; S166-Q168 PolarHBondContact O-N 3.5Å; Q168-T170 VanDerWaalsContact C-N 3.31Å; Q168-T170 PolarHBondContact O-N 2.97Å; Q168-A171 PolarHBondContact O-N 3.49Å; Q168-E172 PolarHBondContact O-N 2.83Å; Q168-E172 VanDerWaalsContact O-N 3.13Å
169L98.6Very high98.4Very high19 Ų1946.8 Ų46.810%0.09925%0.251CS..Hα-helixtrans-57.6-45177.6177.662000111.8I165 S166 E172 K173 V175 T177 W181 V187 Q223I165-L169 VanDerWaalsContact O-CB 3.3Å; I165-L169 WeakPolarHBondContact O-CB 3.42Å; I165-L169 PolarHBondContact O-N 3.16Å; S166-L169 PolarHBondContact O-N 2.66Å; L169-E172 PolarHBondContact O-N 2.9Å; L169-K173 HydrophobicContact CD1-CB 4.31Å; L169-K173 HydrophobicContact CD1-CG 3.86Å; L169-K173 WeakPolarHBondContact O-CA 3.49Å; L169-K173 WeakPolarHBondContact O-CB 3.34Å; L169-K173 PolarHBondContact O-N 3.06Å; L169-V175 HydrophobicContact CD2-CG2 4.42Å; L169-V175 HydrophobicContact CG-CG2 4.1Å; L169-T177 HydrophobicContact CD2-CG2 4.29Å; L169-W181 HydrophobicContact CD2-CH2 4.44Å; L169-W181 HydrophobicContact CD2-CZ2 3.95Å; L169-V187 HydrophobicContact CD2-CG1 3.95Å; L169-Q223 HydrophobicContact CD1-CG 4.25Å; L169-Q223 HydrophobicContact CD2-CG 4Å
170T98.3Very high98.4Very high50 Ų5050.1 Ų50.131%0.30727%0.271SS..Hα-helixtrans-78.3-19.2-177.457.60000113.5S166 L167 Q168 K173 V175S166-T170 WeakPolarHBondContact O-CB 3.5Å; S166-T170 VanDerWaalsContact O-CG2 3.27Å; S166-T170 WeakPolarHBondContact O-CG2 3.43Å; S166-T170 PolarHBondContact O-N 2.73Å; S166-T170 PolarHBondContact O-OG1 3.44Å; L167-T170 PolarHBondContact O-OG1 3.49Å; Q168-T170 VanDerWaalsContact C-N 3.31Å; Q168-T170 PolarHBondContact O-N 2.97Å; T170-K173 CarbonylContact C-O 3.5Å; T170-V175 VanDerWaalsContact CG2-O 3.31Å; T170-V175 WeakPolarHBondContact CG2-O 3.36Å
171A97.3Very high98.4Very high73 Ų7350 Ų5060%0.60327%0.27SS*.Hα-helixtrans-73.7-36.7169.100000111.9W33 L167 Q168W33-A171 HydrophobicContact CZ2-CB 4.41Å; L167-A171 VanDerWaalsContact O-CB 3.31Å; L167-A171 WeakPolarHBondContact O-CB 3.37Å; L167-A171 PolarHBondContact O-N 3.12Å; Q168-A171 PolarHBondContact O-N 3.49Å
172E96.6Very high98.4Very high148 Ų14855.7 Ų55.769%0.69229%0.294SS*.Hα-helixtrans-90.7-32.2-176.9-67.3179.6-164.300113.8Q168 L169Q168-E172 PolarHBondContact O-N 2.83Å; Q168-E172 VanDerWaalsContact O-N 3.13Å; L169-E172 PolarHBondContact O-N 2.9Å
173K97.4Very high98.3Very high88 Ų8857.2 Ų57.238%0.38331%0.307SS..SBendtrans-119.8142.1-175.8-53.1-60.6179.6-172.90109.9L169 T170 V175 P224L169-K173 HydrophobicContact CD1-CB 4.31Å; L169-K173 HydrophobicContact CD1-CG 3.86Å; L169-K173 WeakPolarHBondContact O-CA 3.49Å; L169-K173 WeakPolarHBondContact O-CB 3.34Å; L169-K173 PolarHBondContact O-N 3.06Å; T170-K173 CarbonylContact C-O 3.5Å; K173-V175 HydrophobicContact CB-CG2 3.93Å; K173-V175 PolarHBondContact O-N 2.91Å; K173-P224 HydrophobicContact CB-CG 4.4Å; K173-P224 HydrophobicContact CD-CB 4.13Å; K173-P224 HydrophobicContact CG-CB 4.17Å; K173-P224 HydrophobicContact CG-CG 4.35Å
174R97.4Very high98.3Very high113 Ų11359.4 Ų59.443%0.42633%0.331SS..SBendtrans-78.258.9179-61.7-178.266.8-166.3-2.8112L190 I193 E197 F202R174-L190 HydrophobicContact CB-CD1 4.03Å; R174-L190 WeakPolarHBondContact O-CG 3.48Å; R174-I193 HydrophobicContact CB-CD1 3.78Å; R174-I193 WeakPolarHBondContact O-CD1 3.38Å; R174-E197 IonicContact CZ-OE1 3.67Å; R174-E197 IonicContact NH1-OE1 2.66Å; R174-E197 PolarHBondContact NH1-OE1 3.08Å; R174-F202 WeakPolarHBondContact O-CZ 3.48Å
175V98.5Very high98.3Very high4 Ų462.9 Ų62.92%0.02435%0.35CS..EExtended strand (participates in β ladder)trans-131171.1-179.5-60.80000110.4L169 T170 K173 V187 M188 F202 T221 P224L169-V175 HydrophobicContact CD2-CG2 4.42Å; L169-V175 HydrophobicContact CG-CG2 4.1Å; T170-V175 VanDerWaalsContact CG2-O 3.31Å; T170-V175 WeakPolarHBondContact CG2-O 3.36Å; K173-V175 HydrophobicContact CB-CG2 3.93Å; K173-V175 PolarHBondContact O-N 2.91Å; V175-V187 HydrophobicContact CB-CB 4.14Å; V175-V187 HydrophobicContact CB-CG2 3.73Å; V175-V187 HydrophobicContact CG1-CG2 3.74Å; V175-V187 HydrophobicContact CG2-CB 4.3Å; V175-V187 HydrophobicContact CG2-CG2 3.99Å; V175-M188 CarbonylContact C-O 3.53Å; V175-M188 VanDerWaalsContact CA-O 3.27Å; V175-M188 WeakPolarHBondContact CA-O 3.34Å; V175-M188 WeakPolarHBondContact CB-O 3.25Å; V175-F202 HydrophobicContact CG1-CD1 4.38Å; V175-F202 HydrophobicContact CG1-CE1 3.38Å; V175-F202 HydrophobicContact CG1-CZ 3.64Å; V175-T221 HydrophobicContact CG1-CG2 4.32Å; V175-P224 HydrophobicContact CG1-CG 4.1Å
176A98.7Very high98.3Very high38 Ų3864.6 Ų64.631%0.31436%0.364SS..EExtended strand (participates in β ladder)trans-133.8141.9168.700000110M188 L190A176-M188 HydrophobicContact CB-CB 4.45Å; A176-M188 PolarHBondContact N-O 2.88Å; A176-M188 WeakPolarHBondContact O-CA 3.38Å; A176-M188 WeakPolarHBondContact O-CB 3.34Å; A176-M188 PolarHBondContact O-N 3.09Å; A176-L190 HydrophobicContact CB-CD2 4.01Å
177T98.8Very high98.3Very high32 Ų3263.9 Ų63.920%0.19636%0.359CS..  trans-81.2131.2177.457.50000110.7S166 L169 W181 V187S166-T177 VanDerWaalsContact OG-CG2 3.31Å; S166-T177 WeakPolarHBondContact OG-CG2 3.32Å; S166-T177 PolarHBondContact OG-OG1 2.95Å; L169-T177 HydrophobicContact CD2-CG2 4.29Å; T177-W181 HydrophobicContact CG2-CD2 3.48Å; T177-W181 VanDerWaalsContact CG2-CD2 3.48Å; T177-W181 HydrophobicContact CG2-CE3 3.71Å; T177-W181 HydrophobicContact CG2-CG 3.91Å; T177-W181 HydrophobicContact CG2-CH2 4.29Å; T177-W181 HydrophobicContact CG2-CZ2 4.06Å; T177-W181 HydrophobicContact CG2-CZ3 4.13Å; T177-V187 HydrophobicContact CG2-CG1 4.29Å
178P98.7Very high98.3Very high39 Ų3963.9 Ų63.925%0.25336%0.359SS..  trans-69.6176.7177.229.2-35.2000112.8W181 S186 M188P178-W181 HydrophobicContact CG-CB 4.05Å; P178-W181 HydrophobicContact CG-CG 4.48Å; P178-W181 WeakPolarHBondContact O-CB 3.25Å; P178-W181 PolarHBondContact O-N 2.83Å; P178-S186 WeakPolarHBondContact CD-O 3.35Å; P178-S186 WeakPolarHBondContact CG-O 3.46Å; P178-M188 HydrophobicContact CB-CG 4.08Å; P178-M188 HydrophobicContact CB-SD 4.12Å; P178-M188 HydrophobicContact CG-SD 4.49Å
179V98.5Very high98.3Very high124 Ų12462.7 Ų62.775%0.75235%0.353SS*.THydrogen-bonded Turntrans-56141.7171670000110.6W181V179-W181 PolarHBondContact O-N 2.84Å
180D98.3Very high98.2Very high135 Ų13564.1 Ų64.172%0.72236%0.361SS*.THydrogen-bonded Turntrans55.316.1-180-54.6-29000115.8K182D180-K182 PolarHBondContact O-N 2.72Å
181W98.8Very high98.2Very high2 Ų266.5 Ų66.51%0.00838%0.377CS..  trans-57.2133.7-179.7173.187.4000112.2R162 I165 L169 T177 P178 V179 D183 D185R162-W181 WeakPolarHBondContact CD-O 3.32Å; R162-W181 HydrophobicContact CG-CE3 4.41Å; R162-W181 HydrophobicContact CG-CZ3 4.47Å; R162-W181 PolarHBondContact NH1-O 3.3Å; I165-W181 HydrophobicContact CB-CH2 4.36Å; I165-W181 HydrophobicContact CB-CZ3 4.42Å; I165-W181 HydrophobicContact CG2-CH2 3.72Å; I165-W181 HydrophobicContact CG2-CZ3 4.26Å; L169-W181 HydrophobicContact CD2-CH2 4.44Å; L169-W181 HydrophobicContact CD2-CZ2 3.95Å; T177-W181 HydrophobicContact CG2-CD2 3.48Å; T177-W181 VanDerWaalsContact CG2-CD2 3.48Å; T177-W181 HydrophobicContact CG2-CE3 3.71Å; T177-W181 HydrophobicContact CG2-CG 3.91Å; T177-W181 HydrophobicContact CG2-CH2 4.29Å; T177-W181 HydrophobicContact CG2-CZ2 4.06Å; T177-W181 HydrophobicContact CG2-CZ3 4.13Å; P178-W181 HydrophobicContact CG-CB 4.05Å; P178-W181 HydrophobicContact CG-CG 4.48Å; P178-W181 WeakPolarHBondContact O-CB 3.25Å; P178-W181 PolarHBondContact O-N 2.83Å; V179-W181 PolarHBondContact O-N 2.84Å; W181-D183 HydrophobicContact CH2-CB 4.16Å; W181-D185 HydrophobicContact CG-CB 4.39Å; W181-D185 PolarHBondContact NE1-O 3.34Å; W181-D185 VanDerWaalsContact NE1-O 3.16Å
182K98.4Very high98.1Very high141 Ų14168.1 Ų68.161%0.61338%0.38SS*.  trans-110.3155.8171.5-54.5-179.8-175.8-173.60110.6D180 G184 D185D180-K182 PolarHBondContact O-N 2.72Å; K182-G184 PolarHBondContact O-N 2.74Å; K182-D185 WeakPolarHBondContact CB-OD2 3.26Å; K182-D185 PolarHBondContact N-OD2 3.43Å; K182-D185 VanDerWaalsContact O-CB 3.24Å; K182-D185 WeakPolarHBondContact O-CB 3.38Å; K182-D185 PolarHBondContact O-N 2.81Å
183D98.3Very high98.1Very high88 Ų8861.2 Ų61.247%0.47135%0.347SS..THydrogen-bonded Turntrans-57.4125.6175.6-169.821.2000110.8I165 W181 Q223I165-D183 HydrophobicContact CD1-CB 4.27Å; I165-D183 HydrophobicContact CG2-CB 4.3Å; W181-D183 HydrophobicContact CH2-CB 4.16Å; D183-Q223 PolarHBondContact OD1-NE2 2.8Å
184G98Very high98.1Very high57 Ų5760.7 Ų60.759%0.58835%0.353SS*.THydrogen-bonded Turntrans98.3-17.2-172.200000115.1K182 Q223K182-G184 PolarHBondContact O-N 2.74Å; G184-Q223 VanDerWaalsContact CA-OE1 3.24Å
185D98.7Very high97.9Very high73 Ų7358.7 Ų58.739%0.3935%0.349SS..SBendtrans-70.7161179.1-72.2-19.8000112.1W181 K182W181-D185 HydrophobicContact CG-CB 4.39Å; W181-D185 PolarHBondContact NE1-O 3.34Å; W181-D185 VanDerWaalsContact NE1-O 3.16Å; K182-D185 WeakPolarHBondContact CB-OD2 3.26Å; K182-D185 PolarHBondContact N-OD2 3.43Å; K182-D185 VanDerWaalsContact O-CB 3.24Å; K182-D185 WeakPolarHBondContact O-CB 3.38Å; K182-D185 PolarHBondContact O-N 2.81Å
186S98.6Very high97.7Very high58 Ų5864.1 Ų64.141%0.40637%0.373SS..  trans-60.8145.2173-68.10000112.1P178P178-S186 WeakPolarHBondContact CD-O 3.35Å; P178-S186 WeakPolarHBondContact CG-O 3.46Å
187V98.8Very high97.6Very high0 Ų065.5 Ų65.50%037%0.373CS..EExtended strand (participates in β ladder)trans-114.5165.5179.6-63.80000111.3L169 V175 T177 Y220 T221L169-V187 HydrophobicContact CD2-CG1 3.95Å; V175-V187 HydrophobicContact CB-CB 4.14Å; V175-V187 HydrophobicContact CB-CG2 3.73Å; V175-V187 HydrophobicContact CG1-CG2 3.74Å; V175-V187 HydrophobicContact CG2-CB 4.3Å; V175-V187 HydrophobicContact CG2-CG2 3.99Å; T177-V187 HydrophobicContact CG2-CG1 4.29Å; V187-Y220 CarbonylContact O-C 3.51Å; V187-Y220 WeakPolarHBondContact O-CA 3.27Å; V187-T221 HydrophobicContact CG2-CG2 3.72Å; V187-T221 WeakPolarHBondContact CG2-O 3.5Å; V187-T221 PolarHBondContact N-O 3.37Å; V187-T221 PolarHBondContact O-N 2.87Å
188M98.8Very high97.5Very high31 Ų3164 Ų6415%0.15336%0.364CS..EExtended strand (participates in β ladder)trans-91.1134.8178.4-51.9-54-64.700110.6V175 A176 P178 L218 R219 Y220V175-M188 CarbonylContact C-O 3.53Å; V175-M188 VanDerWaalsContact CA-O 3.27Å; V175-M188 WeakPolarHBondContact CA-O 3.34Å; V175-M188 WeakPolarHBondContact CB-O 3.25Å; A176-M188 HydrophobicContact CB-CB 4.45Å; A176-M188 PolarHBondContact N-O 2.88Å; A176-M188 WeakPolarHBondContact O-CA 3.38Å; A176-M188 WeakPolarHBondContact O-CB 3.34Å; A176-M188 PolarHBondContact O-N 3.09Å; P178-M188 HydrophobicContact CB-CG 4.08Å; P178-M188 HydrophobicContact CB-SD 4.12Å; P178-M188 HydrophobicContact CG-SD 4.49Å; M188-L218 HydrophobicContact CE-CD1 3.6Å; M188-L218 HydrophobicContact CE-CG 4.31Å; M188-R219 WeakPolarHBondContact CA-O 3.25Å; M188-R219 WeakPolarHBondContact CE-O 3.49Å; M188-Y220 HydrophobicContact CE-CD1 4.21Å; M188-Y220 HydrophobicContact CE-CD2 4.44Å; M188-Y220 HydrophobicContact CE-CE1 3.93Å; M188-Y220 HydrophobicContact CE-CE2 4.19Å; M188-Y220 HydrophobicContact CE-CG 4.45Å; M188-Y220 HydrophobicContact SD-CD1 3.5Å; M188-Y220 WeakPolarHBondContact SD-CD1 3.31Å; M188-Y220 HydrophobicContact SD-CE1 3.35Å; M188-Y220 WeakPolarHBondContact SD-CE1 3.34Å; M188-Y220 HydrophobicContact SD-CG 4.22Å
189V98.5Very high97.2Very high4 Ų467.2 Ų67.22%0.02437%0.374CS..EExtended strand (participates in β ladder)trans-74.8129.2168.9-1800000108.7I193 A198 F202 V206 R219 T221V189-I193 HydrophobicContact CG1-CB 4.21Å; V189-I193 HydrophobicContact CG1-CD1 4.08Å; V189-A198 HydrophobicContact CG1-CB 4.06Å; V189-F202 HydrophobicContact CB-CE2 4.35Å; V189-F202 HydrophobicContact CG1-CD2 4.22Å; V189-F202 HydrophobicContact CG1-CE2 3.67Å; V189-F202 HydrophobicContact CG2-CD2 3.9Å; V189-F202 HydrophobicContact CG2-CE2 3.94Å; V189-V206 HydrophobicContact CG2-CG1 4.07Å; V189-V206 HydrophobicContact CG2-CG2 4.33Å; V189-R219 HydrophobicContact CB-CB 3.93Å; V189-R219 HydrophobicContact CG2-CB 4.22Å; V189-R219 PolarHBondContact N-O 3.27Å; V189-T221 HydrophobicContact CG2-CG2 3.82Å
190L98.1Very high97.1Very high49 Ų4969.7 Ų69.726%0.25738%0.375SS..PPolyproline II helixtrans-54.7136.1-179.2-64.3178.4000111.3R174 A176 T192 I193 R219R174-L190 HydrophobicContact CB-CD1 4.03Å; R174-L190 WeakPolarHBondContact O-CG 3.48Å; A176-L190 HydrophobicContact CB-CD2 4.01Å; L190-T192 PolarHBondContact O-N 2.66Å; L190-I193 HydrophobicContact CB-CD1 3.91Å; L190-I193 HydrophobicContact CB-CG1 4.09Å; L190-I193 HydrophobicContact CG-CD1 4.46Å; L190-I193 PolarHBondContact O-N 2.92Å; L190-I193 VanDerWaalsContact O-N 3.08Å; L190-R219 PolarHBondContact O-NH2 3.47Å
191P96.4Very high97Very high99 Ų9967 Ų6764%0.64336%0.36SS*.THydrogen-bonded Turntrans-65.2-17.7-174.426.6-35.4000113.2I193P191-I193 VanDerWaalsContact C-N 3.33Å
192T96.6Very high97Very high107 Ų10767.5 Ų67.566%0.65636%0.362SS*.THydrogen-bonded Turntrans-78.4-12.2177.852.60000114L190 P194L190-T192 PolarHBondContact O-N 2.66Å; T192-P194 WeakPolarHBondContact O-CD 3.47Å
193I97.1Very high96.9Very high3 Ų366.3 Ų66.32%0.01537%0.369CS..SBendtrans-87.4120.3-178.8-58.8172.6000109.6R174 V189 L190 P191 E197 A198 L201 F202 R219R174-I193 HydrophobicContact CB-CD1 3.78Å; R174-I193 WeakPolarHBondContact O-CD1 3.38Å; V189-I193 HydrophobicContact CG1-CB 4.21Å; V189-I193 HydrophobicContact CG1-CD1 4.08Å; L190-I193 HydrophobicContact CB-CD1 3.91Å; L190-I193 HydrophobicContact CB-CG1 4.09Å; L190-I193 HydrophobicContact CG-CD1 4.46Å; L190-I193 PolarHBondContact O-N 2.92Å; L190-I193 VanDerWaalsContact O-N 3.08Å; P191-I193 VanDerWaalsContact C-N 3.33Å; I193-E197 HydrophobicContact CG2-CB 3.92Å; I193-E197 HydrophobicContact CG2-CG 4.05Å; I193-A198 HydrophobicContact CG2-CB 3.97Å; I193-L201 HydrophobicContact CD1-CD1 4.28Å; I193-L201 HydrophobicContact CG2-CD1 4.16Å; I193-F202 HydrophobicContact CD1-CE2 4.19Å; I193-F202 HydrophobicContact CD1-CZ 4.38Å; I193-R219 PolarHBondContact O-NH1 3.31Å; I193-R219 PolarHBondContact O-NH2 2.87Å
194P96.8Very high96.8Very high77 Ų7768 Ų6850%0.537%0.373SS..  trans-62.1157.9174.9-23.135.5000113.4T192 E196 E197 A198T192-P194 WeakPolarHBondContact O-CD 3.47Å; P194-E196 VanDerWaalsContact C-N 3.35Å; P194-E196 PolarHBondContact O-N 3.47Å; P194-E197 WeakPolarHBondContact CD-OE2 3.22Å; P194-E197 PolarHBondContact O-N 2.97Å; P194-A198 PolarHBondContact O-N 3.23Å
195E93.1Very high96.8Very high72 Ų7267 Ų6734%0.33636%0.361SS..Hα-helixtrans-58-43.2-176.1-161.5-174.5116.500112.9E197 A198 K199 K216E195-E197 VanDerWaalsContact C-N 3.34Å; E195-E197 PolarHBondContact O-N 3.39Å; E195-A198 PolarHBondContact O-N 3.15Å; E195-K199 WeakPolarHBondContact O-CG 3.28Å; E195-K199 PolarHBondContact O-N 3.29Å; E195-K199 VanDerWaalsContact O-N 3.1Å; E195-K199 WeakPolarHBondContact OE1-CE 3.25Å; E195-K199 IonicContact OE1-NZ 3.69Å; E195-K199 PolarHBondContact OE1-NZ 3.07Å; E195-K216 IonicContact OE2-NZ 2.79Å; E195-K216 PolarHBondContact OE2-NZ 3.18Å
196E94.2Very high96.8Very high117 Ų11765.7 Ų65.755%0.54736%0.356SS..Hα-helixtrans-68.1-32.5-179.9-63.7-52.9118.900113.2P194 K199P194-E196 VanDerWaalsContact C-N 3.35Å; P194-E196 PolarHBondContact O-N 3.47Å; E196-K199 IonicContact OE1-NZ 2.72Å; E196-K199 PolarHBondContact OE1-NZ 3.13Å
197E97Very high96.7Very high67 Ų6768.8 Ų68.831%0.31336%0.363SS..Hα-helixtrans-74.4-41.2174.4-170.4-177.2161.900110.7R174 I193 P194 E195 K199 K200 L201R174-E197 IonicContact CZ-OE1 3.67Å; R174-E197 IonicContact NH1-OE1 2.66Å; R174-E197 PolarHBondContact NH1-OE1 3.08Å; I193-E197 HydrophobicContact CG2-CB 3.92Å; I193-E197 HydrophobicContact CG2-CG 4.05Å; P194-E197 WeakPolarHBondContact CD-OE2 3.22Å; P194-E197 PolarHBondContact O-N 2.97Å; E195-E197 VanDerWaalsContact C-N 3.34Å; E195-E197 PolarHBondContact O-N 3.39Å; E197-K199 VanDerWaalsContact C-N 3.33Å; E197-K199 PolarHBondContact O-N 3.45Å; E197-K200 PolarHBondContact O-N 2.94Å; E197-K200 VanDerWaalsContact O-N 3.08Å; E197-L201 HydrophobicContact CG-CD1 3.85Å; E197-L201 HydrophobicContact CG-CG 4.18Å; E197-L201 WeakPolarHBondContact O-CG 3.42Å; E197-L201 PolarHBondContact O-N 3.43Å
198A96.1Very high96.7Very high1 Ų170.4 Ų70.41%0.00837%0.372CS..Hα-helixtrans-59.3-41.5178.100000112.1V189 I193 P194 E195 K200 L201 F202 V206V189-A198 HydrophobicContact CG1-CB 4.06Å; I193-A198 HydrophobicContact CG2-CB 3.97Å; P194-A198 PolarHBondContact O-N 3.23Å; E195-A198 PolarHBondContact O-N 3.15Å; A198-K200 PolarHBondContact O-N 2.8Å; A198-L201 PolarHBondContact O-N 3.01Å; A198-F202 HydrophobicContact CB-CD2 4.22Å; A198-F202 WeakPolarHBondContact O-CB 3.4Å; A198-F202 VanDerWaalsContact O-CD2 3.27Å; A198-F202 WeakPolarHBondContact O-CD2 3.31Å; A198-F202 PolarHBondContact O-N 3.42Å; A198-V206 HydrophobicContact CB-CG2 4.31Å
199K93.3Very high96.7Very high106 Ų10673.9 Ų73.946%0.46139%0.387SS..Hα-helixtrans-58.9-33.5175.9-71.7169.1-171.9158.80112.8E195 E196 E197E195-K199 WeakPolarHBondContact O-CG 3.28Å; E195-K199 PolarHBondContact O-N 3.29Å; E195-K199 VanDerWaalsContact O-N 3.1Å; E195-K199 WeakPolarHBondContact OE1-CE 3.25Å; E195-K199 IonicContact OE1-NZ 3.69Å; E195-K199 PolarHBondContact OE1-NZ 3.07Å; E196-K199 IonicContact OE1-NZ 2.72Å; E196-K199 PolarHBondContact OE1-NZ 3.13Å; E197-K199 VanDerWaalsContact C-N 3.33Å; E197-K199 PolarHBondContact O-N 3.45Å
200K95.9Very high96.7Very high177 Ų17779.9 Ų79.977%0.7742%0.415SS*.Hα-helixtrans-81.1-42.5178.4-65.1177.8-177178.70112.2E197 A198 F202E197-K200 PolarHBondContact O-N 2.94Å; E197-K200 VanDerWaalsContact O-N 3.08Å; A198-K200 PolarHBondContact O-N 2.8Å; K200-F202 VanDerWaalsContact C-N 3.33Å
201L96.3Very high96.7Very high78 Ų7879.7 Ų79.741%0.40841%0.413SS..Hα-helixtrans-69.9-29.7-179.3-71.3178000112.8I193 E197 A198 P203I193-L201 HydrophobicContact CD1-CD1 4.28Å; I193-L201 HydrophobicContact CG2-CD1 4.16Å; E197-L201 HydrophobicContact CG-CD1 3.85Å; E197-L201 HydrophobicContact CG-CG 4.18Å; E197-L201 WeakPolarHBondContact O-CG 3.42Å; E197-L201 PolarHBondContact O-N 3.43Å; A198-L201 PolarHBondContact O-N 3.01Å; L201-P203 VanDerWaalsContact O-CD 3.32Å; L201-P203 WeakPolarHBondContact O-CD 2.92Å
202F97.6Very high96.8Very high12 Ų1281.8 Ų81.85%0.05343%0.427CS..  trans-122.674.6-173.2-54.7-64.4000111.9R174 V175 V189 I193 A198 K200 K204 G205 V206 T221 P224R174-F202 WeakPolarHBondContact O-CZ 3.48Å; V175-F202 HydrophobicContact CG1-CD1 4.38Å; V175-F202 HydrophobicContact CG1-CE1 3.38Å; V175-F202 HydrophobicContact CG1-CZ 3.64Å; V189-F202 HydrophobicContact CB-CE2 4.35Å; V189-F202 HydrophobicContact CG1-CD2 4.22Å; V189-F202 HydrophobicContact CG1-CE2 3.67Å; V189-F202 HydrophobicContact CG2-CD2 3.9Å; V189-F202 HydrophobicContact CG2-CE2 3.94Å; I193-F202 HydrophobicContact CD1-CE2 4.19Å; I193-F202 HydrophobicContact CD1-CZ 4.38Å; A198-F202 HydrophobicContact CB-CD2 4.22Å; A198-F202 WeakPolarHBondContact O-CB 3.4Å; A198-F202 VanDerWaalsContact O-CD2 3.27Å; A198-F202 WeakPolarHBondContact O-CD2 3.31Å; A198-F202 PolarHBondContact O-N 3.42Å; K200-F202 VanDerWaalsContact C-N 3.33Å; F202-K204 PolarHBondContact O-N 3.3Å; F202-G205 PolarHBondContact O-N 3.21Å; F202-V206 HydrophobicContact CB-CG2 3.71Å; F202-V206 HydrophobicContact CD2-CG2 4.13Å; F202-V206 HydrophobicContact CG-CG2 4.33Å; F202-T221 HydrophobicContact CB-CG2 4.45Å; F202-T221 WeakPolarHBondContact CB-OG1 3.42Å; F202-T221 HydrophobicContact CD1-CG2 3.84Å; F202-T221 HydrophobicContact CE1-CG2 4.25Å; F202-T221 HydrophobicContact CG-CG2 4.01Å; F202-P224 HydrophobicContact CD1-CG 4.06Å; F202-P224 HydrophobicContact CE1-CG 4.01Å
203P96.3Very high96.8Very high117 Ų11780 Ų8076%0.7642%0.419SS*.THydrogen-bonded Turntrans-67.6-18-175.528.1-36.3000113.8L201 G205L201-P203 VanDerWaalsContact O-CD 3.32Å; L201-P203 WeakPolarHBondContact O-CD 2.92Å; P203-G205 PolarHBondContact O-N 3.08Å
204K97.3Very high96.8Very high124 Ų12482.4 Ų82.454%0.53945%0.445SS..THydrogen-bonded Turntrans-70.1-5.6172.4-62.9-177.8-172.6166.70113F202 P222 Q223 P224F202-K204 PolarHBondContact O-N 3.3Å; K204-P222 HydrophobicContact CB-CB 4.18Å; K204-P222 HydrophobicContact CB-CG 4.04Å; K204-P222 HydrophobicContact CD-CB 4.2Å; K204-Q223 PolarHBondContact NZ-O 3.45Å; K204-P224 WeakPolarHBondContact CE-OXT 3.49Å; K204-P224 PolarHBondContact NZ-OXT 3.13Å
205G97.1Very high96.8Very high34 Ų3485.7 Ų85.735%0.35145%0.451SS..  trans109.4150.2175.700000113.1F202 P203 T221 P222F202-G205 PolarHBondContact O-N 3.21Å; P203-G205 PolarHBondContact O-N 3.08Å; G205-T221 WeakPolarHBondContact O-CB 3.46Å; G205-T221 PolarHBondContact O-OG1 2.96Å; G205-P222 WeakPolarHBondContact O-CD 3.47Å
206V98.3Very high97Very high47 Ų4787.7 Ų87.729%0.28546%0.459SS..  trans-125.2123.3174.8-179.70000108.4V189 A198 F202 R219 Y220V189-V206 HydrophobicContact CG2-CG1 4.07Å; V189-V206 HydrophobicContact CG2-CG2 4.33Å; A198-V206 HydrophobicContact CB-CG2 4.31Å; F202-V206 HydrophobicContact CB-CG2 3.71Å; F202-V206 HydrophobicContact CD2-CG2 4.13Å; F202-V206 HydrophobicContact CG-CG2 4.33Å; V206-R219 HydrophobicContact CG1-CB 4.17Å; V206-Y220 CarbonylContact C-O 3.52Å; V206-Y220 WeakPolarHBondContact CA-O 3.37Å
207F98.1Very high97.2Very high122 Ų12288 Ų8854%0.53546%0.456SS..EExtended strand (participates in β ladder)trans-106122.7175.3170.6-104.1000109.8K209 R219 Y220F207-K209 HydrophobicContact CE1-CB 3.96Å; F207-K209 HydrophobicContact CE1-CD 4.23Å; F207-K209 HydrophobicContact CZ-CB 4.45Å; F207-K209 HydrophobicContact CZ-CD 4.23Å; F207-R219 CarbonylContact O-C 3.53Å; F207-R219 VanDerWaalsContact O-CA 3.29Å; F207-R219 WeakPolarHBondContact O-CA 3.39Å; F207-Y220 AromaticContact CD1-CD2 3.86Å; F207-Y220 HydrophobicContact CD1-CD2 3.86Å; F207-Y220 HydrophobicContact CE1-CD2 4.37Å; F207-Y220 PolarHBondContact N-O 3.36Å; F207-Y220 PolarHBondContact O-N 3.08Å
208T98.3Very high97.2Very high34 Ų3486.7 Ų86.721%0.20945%0.451CS..EExtended strand (participates in β ladder)trans-101122.7173.7-53.90000109.2K216 R219T208-K216 HydrophobicContact CG2-CB 3.9Å; T208-K216 HydrophobicContact CG2-CG 4.17Å; T208-R219 HydrophobicContact CG2-CG 4Å; T208-R219 WeakPolarHBondContact OG1-CG 3.39Å
209K98Very high97.3Very high105 Ų10587.3 Ų87.346%0.45745%0.453SS..PPolyproline II helixtrans-83.4121174.918068.9175.5177.70109.3F207 L211 L218 Y220F207-K209 HydrophobicContact CE1-CB 3.96Å; F207-K209 HydrophobicContact CE1-CD 4.23Å; F207-K209 HydrophobicContact CZ-CB 4.45Å; F207-K209 HydrophobicContact CZ-CD 4.23Å; K209-L211 HydrophobicContact CG-CD2 4.33Å; K209-L218 HydrophobicContact CB-CB 4.31Å; K209-L218 HydrophobicContact CB-CD2 3.76Å; K209-L218 HydrophobicContact CB-CG 4.12Å; K209-L218 HydrophobicContact CG-CD2 3.79Å; K209-L218 PolarHBondContact N-O 2.94Å; K209-Y220 HydrophobicContact CB-CE2 4.32Å
210E98.2Very high97.6Very high130 Ų13086 Ų8661%0.60745%0.446SS*.PPolyproline II helixtrans-66.7135.8173.4-68.2-57.4140.700111.1
211L98.3Very high97.7Very high44 Ų4477.7 Ų77.723%0.2341%0.41CS..  trans-134.4155.5-176.6-66.4178.1000110.6K209 S213 G214 Y217 L218K209-L211 HydrophobicContact CG-CD2 4.33Å; L211-S213 PolarHBondContact O-N 3.04Å; L211-G214 PolarHBondContact O-N 3.48Å; L211-Y217 HydrophobicContact CD1-CE1 3.66Å; L211-Y217 HydrophobicContact CD1-CE2 4.25Å; L211-Y217 VanDerWaalsContact CD1-CZ 3.47Å; L211-Y217 VanDerWaalsContact CD1-OH 3.27Å; L211-Y217 WeakPolarHBondContact CD1-OH 3.47Å; L211-L218 HydrophobicContact CD1-CB 3.82Å; L211-L218 HydrophobicContact CD1-CD2 3.89Å; L211-L218 HydrophobicContact CD1-CG 4.45Å; L211-L218 HydrophobicContact CD2-CD2 4.05Å; L211-L218 HydrophobicContact CG-CD2 4.25Å
212P98.4Very high97.8Very high143 Ų14376.5 Ų76.593%0.92941%0.407SS*.THydrogen-bonded Turntrans-55.5-24.8-178.4-2835.6000115.3G214P212-G214 PolarHBondContact O-N 3.31Å
213S97.6Very high97.9Very high69 Ų6978 Ų7848%0.48341%0.414SS..THydrogen-bonded Turntrans-71-14.2177.870.40000114.8L211 K215L211-S213 PolarHBondContact O-N 3.04Å; S213-K215 PolarHBondContact O-N 3.4Å; S213-K215 VanDerWaalsContact O-N 3.1Å; S213-K215 WeakPolarHBondContact OG-CB 3.44Å; S213-K215 PolarHBondContact OG-N 3.21Å
214G97.2Very high97.8Very high55 Ų5575.8 Ų75.857%0.56740%0.4SS*.  trans67.4-0.9-170.500000114.8L211 P212L211-G214 PolarHBondContact O-N 3.48Å; P212-G214 PolarHBondContact O-N 3.31Å
215K96.9Very high97.8Very high145 Ų14573.4 Ų73.463%0.6339%0.393SS*.  trans-81.5132.6178.7-62-177.9-179.4-179.40110.9S213 Y217S213-K215 PolarHBondContact O-N 3.4Å; S213-K215 VanDerWaalsContact O-N 3.1Å; S213-K215 WeakPolarHBondContact OG-CB 3.44Å; S213-K215 PolarHBondContact OG-N 3.21Å; K215-Y217 VanDerWaalsContact C-N 3.32Å; K215-Y217 HydrophobicContact CB-CD1 3.71Å; K215-Y217 HydrophobicContact CB-CE1 4.19Å; K215-Y217 PolarHBondContact O-N 3.25Å
216K97.1Very high97.8Very high115 Ų11575.5 Ų75.550%0.540%0.395SS..THydrogen-bonded Turntrans-88.941.7-178.2-64.6-178.8169.1-1740114.4E195 T208 R219E195-K216 IonicContact OE2-NZ 2.79Å; E195-K216 PolarHBondContact OE2-NZ 3.18Å; T208-K216 HydrophobicContact CG2-CB 3.9Å; T208-K216 HydrophobicContact CG2-CG 4.17Å; K216-R219 WeakPolarHBondContact O-CD 3.48Å; K216-R219 WeakPolarHBondContact O-CG 3.31Å
217Y97.3Very high97.8Very high124 Ų12477.1 Ų77.149%0.48640%0.401SS..THydrogen-bonded Turntrans-87.1-26.3-176.969.1-86.5000113.2L211 K215 R219L211-Y217 HydrophobicContact CD1-CE1 3.66Å; L211-Y217 HydrophobicContact CD1-CE2 4.25Å; L211-Y217 VanDerWaalsContact CD1-CZ 3.47Å; L211-Y217 VanDerWaalsContact CD1-OH 3.27Å; L211-Y217 WeakPolarHBondContact CD1-OH 3.47Å; K215-Y217 VanDerWaalsContact C-N 3.32Å; K215-Y217 HydrophobicContact CB-CD1 3.71Å; K215-Y217 HydrophobicContact CB-CE1 4.19Å; K215-Y217 PolarHBondContact O-N 3.25Å; Y217-R219 VanDerWaalsContact C-N 3.34Å; Y217-R219 PolarHBondContact O-N 3.4Å
218L98.4Very high97.8Very high39 Ų3974.4 Ų74.420%0.20439%0.393CS..  trans-84.479.4-175.3-165.169000110.3M188 K209 L211 Y220M188-L218 HydrophobicContact CE-CD1 3.6Å; M188-L218 HydrophobicContact CE-CG 4.31Å; K209-L218 HydrophobicContact CB-CB 4.31Å; K209-L218 HydrophobicContact CB-CD2 3.76Å; K209-L218 HydrophobicContact CB-CG 4.12Å; K209-L218 HydrophobicContact CG-CD2 3.79Å; K209-L218 PolarHBondContact N-O 2.94Å; L211-L218 HydrophobicContact CD1-CB 3.82Å; L211-L218 HydrophobicContact CD1-CD2 3.89Å; L211-L218 HydrophobicContact CD1-CG 4.45Å; L211-L218 HydrophobicContact CD2-CD2 4.05Å; L211-L218 HydrophobicContact CG-CD2 4.25Å; L218-Y220 HydrophobicContact CD1-CE2 4.44Å; L218-Y220 HydrophobicContact CD2-CE2 4.38Å; L218-Y220 HydrophobicContact CG-CE2 3.9Å
219R98.5Very high97.7Very high13 Ų1376.9 Ų76.95%0.04941%0.405CS..EExtended strand (participates in β ladder)trans-115.8126.3-173.5-62.9-176.5-60.5178.5-2.4111.4M188 V189 L190 I193 V206 F207 T208 K216 Y217M188-R219 WeakPolarHBondContact CA-O 3.25Å; M188-R219 WeakPolarHBondContact CE-O 3.49Å; V189-R219 HydrophobicContact CB-CB 3.93Å; V189-R219 HydrophobicContact CG2-CB 4.22Å; V189-R219 PolarHBondContact N-O 3.27Å; L190-R219 PolarHBondContact O-NH2 3.47Å; I193-R219 PolarHBondContact O-NH1 3.31Å; I193-R219 PolarHBondContact O-NH2 2.87Å; V206-R219 HydrophobicContact CG1-CB 4.17Å; F207-R219 CarbonylContact O-C 3.53Å; F207-R219 VanDerWaalsContact O-CA 3.29Å; F207-R219 WeakPolarHBondContact O-CA 3.39Å; T208-R219 HydrophobicContact CG2-CG 4Å; T208-R219 WeakPolarHBondContact OG1-CG 3.39Å; K216-R219 WeakPolarHBondContact O-CD 3.48Å; K216-R219 WeakPolarHBondContact O-CG 3.31Å; Y217-R219 VanDerWaalsContact C-N 3.34Å; Y217-R219 PolarHBondContact O-N 3.4Å
220Y98.6Very high97.7Very high80 Ų8075.1 Ų75.131%0.31440%0.401SS..EExtended strand (participates in β ladder)trans-106.5148178.2-60.9-95.1000110.6V187 M188 V206 F207 K209 L218V187-Y220 CarbonylContact O-C 3.51Å; V187-Y220 WeakPolarHBondContact O-CA 3.27Å; M188-Y220 HydrophobicContact CE-CD1 4.21Å; M188-Y220 HydrophobicContact CE-CD2 4.44Å; M188-Y220 HydrophobicContact CE-CE1 3.93Å; M188-Y220 HydrophobicContact CE-CE2 4.19Å; M188-Y220 HydrophobicContact CE-CG 4.45Å; M188-Y220 HydrophobicContact SD-CD1 3.5Å; M188-Y220 WeakPolarHBondContact SD-CD1 3.31Å; M188-Y220 HydrophobicContact SD-CE1 3.35Å; M188-Y220 WeakPolarHBondContact SD-CE1 3.34Å; M188-Y220 HydrophobicContact SD-CG 4.22Å; V206-Y220 CarbonylContact C-O 3.52Å; V206-Y220 WeakPolarHBondContact CA-O 3.37Å; F207-Y220 AromaticContact CD1-CD2 3.86Å; F207-Y220 HydrophobicContact CD1-CD2 3.86Å; F207-Y220 HydrophobicContact CE1-CD2 4.37Å; F207-Y220 PolarHBondContact N-O 3.36Å; F207-Y220 PolarHBondContact O-N 3.08Å; K209-Y220 HydrophobicContact CB-CE2 4.32Å; L218-Y220 HydrophobicContact CD1-CE2 4.44Å; L218-Y220 HydrophobicContact CD2-CE2 4.38Å; L218-Y220 HydrophobicContact CG-CE2 3.9Å
221T98.6Very high97.7Very high2 Ų271.1 Ų71.11%0.01239%0.386CS..EExtended strand (participates in β ladder)trans-143.5146.7166.7-171.40000109.3V175 V187 V189 F202 G205V175-T221 HydrophobicContact CG1-CG2 4.32Å; V187-T221 HydrophobicContact CG2-CG2 3.72Å; V187-T221 WeakPolarHBondContact CG2-O 3.5Å; V187-T221 PolarHBondContact N-O 3.37Å; V187-T221 PolarHBondContact O-N 2.87Å; V189-T221 HydrophobicContact CG2-CG2 3.82Å; F202-T221 HydrophobicContact CB-CG2 4.45Å; F202-T221 WeakPolarHBondContact CB-OG1 3.42Å; F202-T221 HydrophobicContact CD1-CG2 3.84Å; F202-T221 HydrophobicContact CE1-CG2 4.25Å; F202-T221 HydrophobicContact CG-CG2 4.01Å; G205-T221 WeakPolarHBondContact O-CB 3.46Å; G205-T221 PolarHBondContact O-OG1 2.96Å
222P98.5Very high97.6Very high53 Ų5373.2 Ų73.234%0.34440%0.398SS..  trans-55.4149.2170.1-24.535.5000110.9K204 G205 P224K204-P222 HydrophobicContact CB-CB 4.18Å; K204-P222 HydrophobicContact CB-CG 4.04Å; K204-P222 HydrophobicContact CD-CB 4.2Å; G205-P222 WeakPolarHBondContact O-CD 3.47Å; P222-P224 WeakPolarHBondContact O-CD 3.29Å; P222-P224 VanDerWaalsContact O-N 3.14Å
223Q98Very high97.6Very high44 Ų4467.4 Ų67.421%0.20635%0.354CS..  trans-50.3121.7176.3-174.8167.2-28.900110.6L169 D183 G184 K204L169-Q223 HydrophobicContact CD1-CG 4.25Å; L169-Q223 HydrophobicContact CD2-CG 4Å; D183-Q223 PolarHBondContact OD1-NE2 2.8Å; G184-Q223 VanDerWaalsContact CA-OE1 3.24Å; K204-Q223 PolarHBondContact NZ-O 3.45Å
224P94.1Very high97.6Very high70 Ų7067.3 Ų67.346%0.45534%0.342SS..  trans-60.20-175.8-26.835.4000113.9K173 V175 F202 K204 P222K173-P224 HydrophobicContact CB-CG 4.4Å; K173-P224 HydrophobicContact CD-CB 4.13Å; K173-P224 HydrophobicContact CG-CB 4.17Å; K173-P224 HydrophobicContact CG-CG 4.35Å; V175-P224 HydrophobicContact CG1-CG 4.1Å; F202-P224 HydrophobicContact CD1-CG 4.06Å; F202-P224 HydrophobicContact CE1-CG 4.01Å; K204-P224 WeakPolarHBondContact CE-OXT 3.49Å; K204-P224 PolarHBondContact NZ-OXT 3.13Å; P222-P224 WeakPolarHBondContact O-CD 3.29Å; P222-P224 VanDerWaalsContact O-N 3.14Å

Retrieved 224 of 224 residues in 1250.9 ms (Link to these results)

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