A0A087X8F8_POEFO Loading...

RNA binding motif protein 7

AlphaFold DB , UniProt , Accession A0A087X8F8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 263 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
1M51.1Low79.8Confident193 Ų19360.6 Ų60.695%0.95132%0.319SS*.  01190-93.1174.7178.900107.1D5 R9M1-D5 WeakPolarHBondContact CA-OD2 3.46Å; M1-R9 PolarHBondContact SD-NH1 3.41Å; M1-R9 PolarHBondContact SD-NH2 3.31Å; M1-R9 VanDerWaalsContact SD-NH2 3.4Å
2G55.8Low81.3Confident41 Ų4158.8 Ų58.842%0.42331%0.307SS..  trans-65.2160.7-178.600000111E4 D5G2-E4 PolarHBondContact O-N 3.01Å; G2-D5 PolarHBondContact N-OD2 3.43Å; G2-D5 WeakPolarHBondContact O-CB 3.37Å; G2-D5 PolarHBondContact O-N 3.28Å
3I59.6Low82.6Confident117 Ų11754.3 Ų54.360%0.628%0.283SS*.Hα-helixtrans-66.8-26.7-180-39.2166.7000110.2E6 A7I3-E6 PolarHBondContact O-N 3.28Å; I3-A7 PolarHBondContact O-N 3.15Å
4E62.1Low83.7Confident160 Ų16058.6 Ų58.675%0.74829%0.294SS*.Hα-helixtrans-68.4-44.2176.2-62.5177.1177.300110.9G2 E6 A7 D8G2-E4 PolarHBondContact O-N 3.01Å; E4-E6 PolarHBondContact O-N 3.03Å; E4-E6 VanDerWaalsContact O-N 3.15Å; E4-A7 WeakPolarHBondContact O-CB 3.25Å; E4-A7 PolarHBondContact O-N 3.07Å; E4-D8 PolarHBondContact O-N 3.06Å
5D79.7Confident84.7Confident78 Ų7859 Ų5942%0.41730%0.297SS..Hα-helixtrans-58-32.8176.5-51.2-29.4000112.7M1 G2 R9M1-D5 WeakPolarHBondContact CA-OD2 3.46Å; G2-D5 PolarHBondContact N-OD2 3.43Å; G2-D5 WeakPolarHBondContact O-CB 3.37Å; G2-D5 PolarHBondContact O-N 3.28Å; D5-R9 WeakPolarHBondContact O-CG 3.31Å; D5-R9 PolarHBondContact O-NE 3.26Å
6E89.9Confident85.5Confident25 Ų2555.4 Ų55.412%0.11728%0.279CS..Hα-helixtrans-75.6-32.3179.4-168174.3149.400111.3I3 E4 D8 R9 T10 R37 V55 R259I3-E6 PolarHBondContact O-N 3.28Å; E4-E6 PolarHBondContact O-N 3.03Å; E4-E6 VanDerWaalsContact O-N 3.15Å; E6-D8 PolarHBondContact O-N 2.9Å; E6-R9 PolarHBondContact O-N 3.47Å; E6-T10 WeakPolarHBondContact O-CB 3.46Å; E6-T10 PolarHBondContact O-N 3.38Å; E6-T10 PolarHBondContact O-OG1 3.03Å; E6-R37 IonicContact OE1-CZ 3.74Å; E6-R37 IonicContact OE1-NH2 3.67Å; E6-R37 PolarHBondContact OE1-NH2 3.2Å; E6-V55 HydrophobicContact CG-CG1 4.08Å; E6-R259 IonicContact OE2-NH1 3.49Å; E6-R259 PolarHBondContact OE2-NH1 3.08Å
7A92.1Very high86.2Confident4 Ų453.8 Ų53.83%0.03327%0.272CS..Hα-helixtrans-60.1-47.6177.900000111.5I3 E4 R9 T10I3-A7 PolarHBondContact O-N 3.15Å; E4-A7 WeakPolarHBondContact O-CB 3.25Å; E4-A7 PolarHBondContact O-N 3.07Å; A7-R9 PolarHBondContact O-N 3.23Å; A7-T10 PolarHBondContact O-N 3.08Å; A7-T10 VanDerWaalsContact O-N 3.14Å
8D95.1Very high86.8Confident23 Ų2356.5 Ų56.512%0.12329%0.291CS..Hα-helixtrans-67.6-20.8-179.9-71-22000113.3E4 E6 E59 V62 S87 S88E4-D8 PolarHBondContact O-N 3.06Å; E6-D8 PolarHBondContact O-N 2.9Å; D8-E59 HydrophobicContact CB-CG 4.06Å; D8-V62 WeakPolarHBondContact O-CG2 3.36Å; D8-S87 VanDerWaalsContact OD1-C 3.31Å; D8-S87 WeakPolarHBondContact OD1-CA 3.39Å; D8-S87 WeakPolarHBondContact OD1-CB 3.36Å; D8-S88 WeakPolarHBondContact OD1-CB 3.43Å; D8-S88 PolarHBondContact OD1-N 2.65Å; D8-S88 PolarHBondContact OD1-OG 3.15Å; D8-S88 PolarHBondContact OD2-OG 2.97Å
9R96.6Very high87.3Confident25 Ų2561.2 Ų61.29%0.09431%0.305CS..THydrogen-bonded Turntrans-96.14.4176.7-68.9-178-67.7170.40.6114.1M1 D5 E6 A7 Y56 K57 E59M1-R9 PolarHBondContact SD-NH1 3.41Å; M1-R9 PolarHBondContact SD-NH2 3.31Å; M1-R9 VanDerWaalsContact SD-NH2 3.4Å; D5-R9 WeakPolarHBondContact O-CG 3.31Å; D5-R9 PolarHBondContact O-NE 3.26Å; E6-R9 PolarHBondContact O-N 3.47Å; A7-R9 PolarHBondContact O-N 3.23Å; R9-Y56 PolarHBondContact O-N 3.45Å; R9-K57 WeakPolarHBondContact CD-O 3.44Å; R9-K57 PolarHBondContact NH1-O 3.19Å; R9-E59 HydrophobicContact CG-CB 3.97Å
10T97.2Very high87.8Confident1 Ų158.2 Ų58.21%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-116.3132.8-173.1-57.60000112.4E6 A7 F53 A54 V55 R84E6-T10 WeakPolarHBondContact O-CB 3.46Å; E6-T10 PolarHBondContact O-N 3.38Å; E6-T10 PolarHBondContact O-OG1 3.03Å; A7-T10 PolarHBondContact O-N 3.08Å; A7-T10 VanDerWaalsContact O-N 3.14Å; T10-F53 HydrophobicContact CG2-CB 4.04Å; T10-F53 HydrophobicContact CG2-CD1 4.1Å; T10-A54 CarbonylContact C-O 3.49Å; T10-A54 WeakPolarHBondContact CA-O 3.41Å; T10-V55 HydrophobicContact CG2-CG2 4.1Å; T10-R84 HydrophobicContact CG2-CB 4.25Å; T10-R84 HydrophobicContact CG2-CG 4.46Å; T10-R84 WeakPolarHBondContact O-CB 3.45Å; T10-R84 PolarHBondContact O-N 3.38Å
11L98.3Very high88.3Confident0 Ų058 Ų580%029%0.292CS..EExtended strand (participates in β ladder)trans-98.7144.2167.9-70.4174.7000111.4F29 F53 A54 Y56 V62 A65 M66 V81 F83L11-F29 HydrophobicContact CD1-CD1 4.28Å; L11-F29 HydrophobicContact CD1-CE1 3.89Å; L11-F53 VanDerWaalsContact O-CA 3.26Å; L11-F53 WeakPolarHBondContact O-CA 3.29Å; L11-A54 PolarHBondContact N-O 3.13Å; L11-A54 PolarHBondContact O-N 2.82Å; L11-Y56 HydrophobicContact CD1-CE2 3.9Å; L11-V62 HydrophobicContact CD2-CG1 3.41Å; L11-V62 VanDerWaalsContact CD2-CG1 3.41Å; L11-V62 HydrophobicContact CG-CG1 3.85Å; L11-A65 HydrophobicContact CD1-CB 3.6Å; L11-M66 HydrophobicContact CD2-CB 4.37Å; L11-M66 HydrophobicContact CD2-CE 3.81Å; L11-V81 HydrophobicContact CB-CG1 4.15Å; L11-V81 HydrophobicContact CD1-CG1 3.73Å; L11-V81 HydrophobicContact CD2-CG1 4.02Å; L11-V81 HydrophobicContact CG-CG1 4.2Å; L11-F83 HydrophobicContact CD2-CD1 4.23Å
12F98.3Very high90.5Very high39 Ų3951.1 Ų51.117%0.17126%0.258CS..EExtended strand (participates in β ladder)trans-98.7125.9169.4177.5-129.9000109.7R14 F51 F53 Q82F12-R14 HydrophobicContact CD1-CG 3.68Å; F12-R14 HydrophobicContact CE1-CG 3.17Å; F12-R14 HydrophobicContact CE2-CG 4.31Å; F12-R14 HydrophobicContact CG-CG 4.45Å; F12-R14 HydrophobicContact CZ-CG 3.53Å; F12-F51 HydrophobicContact CD2-CD2 4.39Å; F12-F51 HydrophobicContact CE2-CB 3.75Å; F12-F51 AromaticContact CE2-CD2 3.56Å; F12-F51 HydrophobicContact CE2-CD2 3.56Å; F12-F51 HydrophobicContact CE2-CE2 4.28Å; F12-F51 AromaticContact CE2-CG 3.79Å; F12-F51 HydrophobicContact CE2-CG 3.79Å; F12-F51 HydrophobicContact CZ-CB 4.16Å; F12-F51 HydrophobicContact CZ-CD2 4.45Å; F12-F51 HydrophobicContact CZ-CG 4.31Å; F12-F53 HydrophobicContact CB-CD1 4.49Å; F12-F53 HydrophobicContact CB-CE1 4.37Å; F12-F53 HydrophobicContact CD2-CD1 4.1Å; F12-F53 AromaticContact CD2-CE1 3.54Å; F12-F53 HydrophobicContact CD2-CE1 3.54Å; F12-F53 AromaticContact CD2-CZ 3.98Å; F12-F53 HydrophobicContact CD2-CZ 3.98Å; F12-F53 HydrophobicContact CE2-CE1 4.25Å; F12-F53 HydrophobicContact CE2-CZ 4.24Å; F12-F53 HydrophobicContact CG-CE1 4.35Å; F12-Q82 HydrophobicContact CB-CB 4.47Å; F12-Q82 HydrophobicContact CD1-CB 4.27Å; F12-Q82 PolarHBondContact N-O 3.4Å; F12-Q82 PolarHBondContact O-N 3.41Å
13I98.5Very high92.5Very high0 Ų055 Ų550%027%0.265CS..EExtended strand (participates in β ladder)trans-115.8118.2-175.1-49.2163.8000107.9L16 L25 F29 F51 G52 A54 I79 Q80I13-L16 HydrophobicContact CG2-CD2 3.67Å; I13-L16 HydrophobicContact CG2-CG 4.43Å; I13-L25 HydrophobicContact CD1-CD1 4.27Å; I13-L25 HydrophobicContact CD1-CD2 4.45Å; I13-F29 HydrophobicContact CD1-CD1 4.46Å; I13-F29 HydrophobicContact CD1-CD2 4.13Å; I13-F29 HydrophobicContact CD1-CE1 3.89Å; I13-F29 HydrophobicContact CD1-CE2 3.5Å; I13-F29 VanDerWaalsContact CD1-CE2 3.5Å; I13-F29 HydrophobicContact CD1-CZ 3.37Å; I13-F29 HydrophobicContact CG1-CE1 4.11Å; I13-F29 HydrophobicContact CG1-CE2 4.19Å; I13-F29 HydrophobicContact CG1-CZ 3.61Å; I13-F29 HydrophobicContact CG2-CZ 4.4Å; I13-F51 CarbonylContact O-C 3.58Å; I13-F51 WeakPolarHBondContact O-CA 3.4Å; I13-F51 VanDerWaalsContact O-CB 3.22Å; I13-F51 WeakPolarHBondContact O-CB 3.34Å; I13-G52 PolarHBondContact N-O 2.91Å; I13-G52 PolarHBondContact O-N 3.34Å; I13-A54 HydrophobicContact CD1-CB 3.94Å; I13-I79 HydrophobicContact CG2-CB 4.24Å; I13-I79 HydrophobicContact CG2-CD1 4.35Å; I13-Q80 CarbonylContact C-O 3.57Å; I13-Q80 WeakPolarHBondContact CA-O 3.43Å
14R98Very high94.4Very high115 Ų11551.6 Ų51.643%0.43425%0.247SC..EExtended strand (participates in β ladder)trans-108.6166.1-179.2-56.9178.974.1177.5-6.4111.7F12 L16 Q80F12-R14 HydrophobicContact CD1-CG 3.68Å; F12-R14 HydrophobicContact CE1-CG 3.17Å; F12-R14 HydrophobicContact CE2-CG 4.31Å; F12-R14 HydrophobicContact CG-CG 4.45Å; F12-R14 HydrophobicContact CZ-CG 3.53Å; R14-L16 VanDerWaalsContact C-N 3.35Å; R14-Q80 HydrophobicContact CB-CB 4.22Å; R14-Q80 PolarHBondContact N-O 3.05Å; R14-Q80 PolarHBondContact O-N 3.47Å
15N97.8Very high96.1Very high64 Ų6444 Ų4434%0.34221%0.212SC..SBendtrans65.333.7174.2-163.436.1000114T50 K77 T78N15-T50 PolarHBondContact N-O 3.08Å; N15-T50 VanDerWaalsContact N-O 3.1Å; N15-K77 WeakPolarHBondContact O-CE 3.43Å; N15-K77 WeakPolarHBondContact OD1-CE 3.49Å; N15-K77 PolarHBondContact OD1-NZ 2.88Å; N15-K77 VanDerWaalsContact OD1-NZ 3.13Å; N15-T78 PolarHBondContact ND2-O 2.95Å
16L98.1Very high97Very high2 Ų243.5 Ų43.51%0.0121%0.206CC..  trans-66.1146.5174.5-58.1-177.8000111I13 R14 V20 L25 I40 T50 F51 K77 I79I13-L16 HydrophobicContact CG2-CD2 3.67Å; I13-L16 HydrophobicContact CG2-CG 4.43Å; R14-L16 VanDerWaalsContact C-N 3.35Å; L16-V20 HydrophobicContact CD2-CG1 4.35Å; L16-L25 HydrophobicContact CD1-CD1 3.85Å; L16-L25 HydrophobicContact CD2-CD1 4.46Å; L16-L25 HydrophobicContact CD2-CD2 4.09Å; L16-I40 HydrophobicContact CD1-CD1 4.19Å; L16-I40 HydrophobicContact CD1-CG1 4.12Å; L16-T50 PolarHBondContact N-O 2.77Å; L16-F51 VanDerWaalsContact CD1-C 3.49Å; L16-K77 PolarHBondContact O-NZ 3.06Å; L16-I79 HydrophobicContact CD2-CG2 3.9Å
17D97.9Very high97.4Very high28 Ų2848.2 Ų48.215%0.1523%0.228CC..  trans-80.1151.7165.1-166.8-97.8000109.5R19 V20 Y75 K77D17-R19 PolarHBondContact O-N 3.04Å; D17-R19 WeakPolarHBondContact OD1-CB 3Å; D17-R19 WeakPolarHBondContact OD1-CG 3.49Å; D17-R19 IonicContact OD1-CZ 3.79Å; D17-R19 PolarHBondContact OD1-N 3.49Å; D17-R19 VanDerWaalsContact OD1-N 3.08Å; D17-R19 IonicContact OD1-NE 3.75Å; D17-R19 PolarHBondContact OD1-NE 3.28Å; D17-R19 IonicContact OD1-NH2 3.76Å; D17-R19 IonicContact OD2-NH2 3.25Å; D17-V20 HydrophobicContact CB-CG2 4.07Å; D17-V20 WeakPolarHBondContact O-CB 3.5Å; D17-V20 PolarHBondContact O-N 3.42Å; D17-Y75 HydrophobicContact CB-CD2 4.35Å; D17-K77 HydrophobicContact CB-CD 3.86Å; D17-K77 HydrophobicContact CB-CG 4.38Å; D17-K77 WeakPolarHBondContact OD2-CD 3.32Å
18T95.8Very high97.7Very high102 Ų10249.7 Ų49.763%0.62624%0.235SC*.THydrogen-bonded Turntrans-66.5-17-179.951.30000113.2
19R96.8Very high97.8Very high145 Ų14548.6 Ų48.655%0.54723%0.229SC..THydrogen-bonded Turntrans-83.3-12.6174.2-62.9175.3-71.4177.9-7.1113.6D17 T21 Y75D17-R19 PolarHBondContact O-N 3.04Å; D17-R19 WeakPolarHBondContact OD1-CB 3Å; D17-R19 WeakPolarHBondContact OD1-CG 3.49Å; D17-R19 IonicContact OD1-CZ 3.79Å; D17-R19 PolarHBondContact OD1-N 3.49Å; D17-R19 VanDerWaalsContact OD1-N 3.08Å; D17-R19 IonicContact OD1-NE 3.75Å; D17-R19 PolarHBondContact OD1-NE 3.28Å; D17-R19 IonicContact OD1-NH2 3.76Å; D17-R19 IonicContact OD2-NH2 3.25Å; R19-T21 PolarHBondContact O-N 3.45Å; R19-Y75 HydrophobicContact CB-CD1 4.35Å; R19-Y75 HydrophobicContact CB-CD2 3.97Å; R19-Y75 HydrophobicContact CB-CE1 4.34Å; R19-Y75 HydrophobicContact CB-CE2 3.95Å; R19-Y75 HydrophobicContact CB-CG 4.18Å; R19-Y75 PolarHBondContact NH2-O 2.95Å; R19-Y75 WeakPolarHBondContact O-CE2 3.47Å
20V97.9Very high97.9Very high1 Ų150.9 Ų50.91%0.00624%0.243CC..  trans-68.3127.5176176.90000109.2L16 D17 L24 L25 I40 Q48 L74 Y75L16-V20 HydrophobicContact CD2-CG1 4.35Å; D17-V20 HydrophobicContact CB-CG2 4.07Å; D17-V20 WeakPolarHBondContact O-CB 3.5Å; D17-V20 PolarHBondContact O-N 3.42Å; V20-L24 HydrophobicContact CG1-CD2 4.41Å; V20-L25 HydrophobicContact CG1-CD1 4.19Å; V20-L25 HydrophobicContact CG1-CD2 3.78Å; V20-L25 HydrophobicContact CG1-CG 3.64Å; V20-I40 HydrophobicContact CG1-CD1 4.33Å; V20-Q48 PolarHBondContact O-OE1 3.02Å; V20-L74 HydrophobicContact CG1-CD1 4.31Å; V20-L74 HydrophobicContact CG2-CB 4.01Å; V20-L74 HydrophobicContact CG2-CD1 4.11Å; V20-Y75 HydrophobicContact CG2-CD2 3.67Å; V20-Y75 HydrophobicContact CG2-CE2 3.99Å
21T97.9Very high97.9Very high54 Ų5457.4 Ų57.433%0.33127%0.274SS..  trans-102.9163.7176.879.20000111.8R19 E23 L24 L25R19-T21 PolarHBondContact O-N 3.45Å; T21-E23 WeakPolarHBondContact CB-OE2 3.01Å; T21-E23 PolarHBondContact O-N 3.39Å; T21-E23 PolarHBondContact OG1-OE2 3.33Å; T21-L24 PolarHBondContact O-N 2.79Å; T21-L24 PolarHBondContact OG1-N 3.25Å; T21-L25 PolarHBondContact O-N 3.08Å; T21-L25 VanDerWaalsContact O-N 3.16Å
22E97.8Very high97.8Very high50 Ų5057.9 Ų57.923%0.23428%0.277CS..Hα-helixtrans-62.5-36177.2-69.4-177.6166.200110.8L25 F26 T38 K39 I40E22-L25 PolarHBondContact O-N 3.07Å; E22-F26 WeakPolarHBondContact O-CB 3.38Å; E22-F26 PolarHBondContact O-N 3.07Å; E22-T38 PolarHBondContact O-OG1 3.16Å; E22-K39 WeakPolarHBondContact OE1-CD 3.22Å; E22-K39 WeakPolarHBondContact OE1-CE 3.4Å; E22-K39 IonicContact OE1-NZ 2.75Å; E22-K39 PolarHBondContact OE1-NZ 2.75Å; E22-K39 IonicContact OE2-NZ 2.9Å; E22-K39 PolarHBondContact OE2-NZ 3.19Å; E22-I40 HydrophobicContact CG-CB 4.02Å; E22-I40 HydrophobicContact CG-CD1 4.08Å; E22-I40 HydrophobicContact CG-CG1 3.88Å; E22-I40 PolarHBondContact OE1-N 3.37Å
23E98.2Very high97.8Very high121 Ų12156.9 Ų56.957%0.56528%0.278SS*.Hα-helixtrans-64.2-46.5177.4-57.575.8-165.300111.4T21 L25 F26 E27T21-E23 WeakPolarHBondContact CB-OE2 3.01Å; T21-E23 PolarHBondContact O-N 3.39Å; T21-E23 PolarHBondContact OG1-OE2 3.33Å; E23-L25 VanDerWaalsContact C-N 3.32Å; E23-L25 PolarHBondContact O-N 3.4Å; E23-F26 WeakPolarHBondContact O-CA 3.42Å; E23-F26 WeakPolarHBondContact O-CB 3.39Å; E23-F26 PolarHBondContact O-N 3.21Å; E23-E27 WeakPolarHBondContact O-CG 3.44Å; E23-E27 PolarHBondContact O-N 3.48Å
24L98.2Very high97.7Very high46 Ų4660.1 Ų60.124%0.24130%0.299CS..Hα-helixtrans-61-42.5176.8179.164.2000111.6V20 T21 F26 L28 Y75V20-L24 HydrophobicContact CG1-CD2 4.41Å; T21-L24 PolarHBondContact O-N 2.79Å; T21-L24 PolarHBondContact OG1-N 3.25Å; L24-F26 VanDerWaalsContact C-N 3.29Å; L24-F26 PolarHBondContact O-N 3.25Å; L24-L28 WeakPolarHBondContact O-CB 3.42Å; L24-L28 PolarHBondContact O-N 3.01Å; L24-Y75 HydrophobicContact CD2-CE2 3.63Å
25L98.3Very high97.7Very high0 Ų055.5 Ų55.50%028%0.283CS..Hα-helixtrans-63.9-37.7174.3-71.6-177.2000111.6I13 L16 V20 T21 E22 E23 L28 F29 T38 I40 L74I13-L25 HydrophobicContact CD1-CD1 4.27Å; I13-L25 HydrophobicContact CD1-CD2 4.45Å; L16-L25 HydrophobicContact CD1-CD1 3.85Å; L16-L25 HydrophobicContact CD2-CD1 4.46Å; L16-L25 HydrophobicContact CD2-CD2 4.09Å; V20-L25 HydrophobicContact CG1-CD1 4.19Å; V20-L25 HydrophobicContact CG1-CD2 3.78Å; V20-L25 HydrophobicContact CG1-CG 3.64Å; T21-L25 PolarHBondContact O-N 3.08Å; T21-L25 VanDerWaalsContact O-N 3.16Å; E22-L25 PolarHBondContact O-N 3.07Å; E23-L25 VanDerWaalsContact C-N 3.32Å; E23-L25 PolarHBondContact O-N 3.4Å; L25-L28 PolarHBondContact O-N 3.05Å; L25-F29 HydrophobicContact CD2-CE2 4.3Å; L25-F29 WeakPolarHBondContact O-CB 3.33Å; L25-F29 VanDerWaalsContact O-CD2 3.29Å; L25-F29 WeakPolarHBondContact O-CD2 3.49Å; L25-F29 PolarHBondContact O-N 3.49Å; L25-T38 HydrophobicContact CB-CG2 3.99Å; L25-I40 HydrophobicContact CD1-CD1 3.81Å; L25-I40 HydrophobicContact CD1-CG1 3.83Å; L25-L74 HydrophobicContact CD2-CD1 4.1Å
26F98.5Very high97.7Very high68 Ų6856.8 Ų56.830%0.29829%0.289SS..Hα-helixtrans-62.7-49.2179.2-171.1-93000110.7E22 E23 L24 L28 F29 L30 L35 T38E22-F26 WeakPolarHBondContact O-CB 3.38Å; E22-F26 PolarHBondContact O-N 3.07Å; E23-F26 WeakPolarHBondContact O-CA 3.42Å; E23-F26 WeakPolarHBondContact O-CB 3.39Å; E23-F26 PolarHBondContact O-N 3.21Å; L24-F26 VanDerWaalsContact C-N 3.29Å; L24-F26 PolarHBondContact O-N 3.25Å; F26-L28 PolarHBondContact O-N 3.12Å; F26-F29 PolarHBondContact O-N 3.22Å; F26-L30 HydrophobicContact CD1-CD1 3.68Å; F26-L30 HydrophobicContact CD1-CG 4.09Å; F26-L30 HydrophobicContact CE1-CD1 3.49Å; F26-L30 VanDerWaalsContact CE1-CD1 3.49Å; F26-L30 HydrophobicContact CE1-CD2 4.16Å; F26-L30 HydrophobicContact CE1-CG 3.9Å; F26-L30 HydrophobicContact CZ-CD1 4.4Å; F26-L30 HydrophobicContact CZ-CD2 4.29Å; F26-L30 HydrophobicContact CZ-CG 4.4Å; F26-L30 WeakPolarHBondContact O-CB 3.36Å; F26-L30 VanDerWaalsContact O-CG 3.28Å; F26-L30 WeakPolarHBondContact O-CG 3.34Å; F26-L30 PolarHBondContact O-N 3.12Å; F26-L35 HydrophobicContact CB-CD2 4.44Å; F26-L35 HydrophobicContact CD2-CD2 3.54Å; F26-L35 HydrophobicContact CD2-CG 4.1Å; F26-L35 HydrophobicContact CE2-CB 4.09Å; F26-L35 HydrophobicContact CE2-CD2 3.89Å; F26-L35 HydrophobicContact CE2-CG 3.98Å; F26-L35 HydrophobicContact CG-CD2 4.03Å; F26-L35 HydrophobicContact CZ-CB 4.43Å; F26-T38 HydrophobicContact CB-CG2 4.09Å; F26-T38 HydrophobicContact CD2-CG2 4.27Å
27E98.3Very high97.7Very high125 Ų12559.4 Ų59.458%0.58430%0.299SS*.Hα-helixtrans-60-42.6177.4-69.8179.1178.200112.9E23E23-E27 WeakPolarHBondContact O-CG 3.44Å; E23-E27 PolarHBondContact O-N 3.48Å
28L98.2Very high97.7Very high34 Ų3458.8 Ų58.818%0.17830%0.296CS..Hα-helixtrans-65.2-46.7177.7179.463.8000111.9L24 L25 F26 L30 Q31 L69 T72 L74 I79L24-L28 WeakPolarHBondContact O-CB 3.42Å; L24-L28 PolarHBondContact O-N 3.01Å; L25-L28 PolarHBondContact O-N 3.05Å; F26-L28 PolarHBondContact O-N 3.12Å; L28-L30 VanDerWaalsContact C-N 3.32Å; L28-L30 PolarHBondContact O-N 3.3Å; L28-Q31 WeakPolarHBondContact O-CB 3.49Å; L28-Q31 VanDerWaalsContact O-CG 3.3Å; L28-Q31 WeakPolarHBondContact O-CG 3.37Å; L28-Q31 PolarHBondContact O-N 2.79Å; L28-L69 HydrophobicContact CD1-CD2 3.92Å; L28-L69 HydrophobicContact CG-CD2 4.21Å; L28-T72 HydrophobicContact CD1-CG2 4.3Å; L28-T72 HydrophobicContact CD2-CG2 4.2Å; L28-L74 HydrophobicContact CD2-CD1 4.08Å; L28-L74 HydrophobicContact CD2-CD2 4.3Å; L28-I79 HydrophobicContact CD2-CD1 3.95Å
29F98.4Very high97.8Very high0 Ų057.2 Ų57.20%028%0.28CS..Hα-helixtrans-78.2-16.7-174.8-82.5-105000113.4L11 I13 L25 F26 Q31 A32 L35 A54 Y56 L69 I79 V81L11-F29 HydrophobicContact CD1-CD1 4.28Å; L11-F29 HydrophobicContact CD1-CE1 3.89Å; I13-F29 HydrophobicContact CD1-CD1 4.46Å; I13-F29 HydrophobicContact CD1-CD2 4.13Å; I13-F29 HydrophobicContact CD1-CE1 3.89Å; I13-F29 HydrophobicContact CD1-CE2 3.5Å; I13-F29 VanDerWaalsContact CD1-CE2 3.5Å; I13-F29 HydrophobicContact CD1-CZ 3.37Å; I13-F29 HydrophobicContact CG1-CE1 4.11Å; I13-F29 HydrophobicContact CG1-CE2 4.19Å; I13-F29 HydrophobicContact CG1-CZ 3.61Å; I13-F29 HydrophobicContact CG2-CZ 4.4Å; L25-F29 HydrophobicContact CD2-CE2 4.3Å; L25-F29 WeakPolarHBondContact O-CB 3.33Å; L25-F29 VanDerWaalsContact O-CD2 3.29Å; L25-F29 WeakPolarHBondContact O-CD2 3.49Å; L25-F29 PolarHBondContact O-N 3.49Å; F26-F29 PolarHBondContact O-N 3.22Å; F29-Q31 PolarHBondContact O-N 3.49Å; F29-A32 PolarHBondContact O-N 2.92Å; F29-L35 HydrophobicContact CB-CD1 4.3Å; F29-L35 HydrophobicContact CB-CD2 3.69Å; F29-A54 HydrophobicContact CB-CB 4.33Å; F29-A54 HydrophobicContact CD1-CB 3.66Å; F29-A54 HydrophobicContact CE1-CB 4.17Å; F29-A54 HydrophobicContact CG-CB 3.98Å; F29-Y56 WeakPolarHBondContact CB-OH 3.26Å; F29-Y56 HydrophobicContact CD1-CE2 4.34Å; F29-Y56 WeakPolarHBondContact CD1-OH 3.49Å; F29-Y56 WeakPolarHBondContact O-CE1 3.47Å; F29-Y56 PolarHBondContact O-OH 2.93Å; F29-L69 HydrophobicContact CB-CD1 4.33Å; F29-L69 HydrophobicContact CD1-CD1 3.78Å; F29-L69 HydrophobicContact CD2-CD1 4.19Å; F29-L69 HydrophobicContact CE1-CD1 4.03Å; F29-L69 HydrophobicContact CE2-CD1 4.42Å; F29-L69 HydrophobicContact CG-CD1 3.86Å; F29-L69 HydrophobicContact CZ-CD1 4.33Å; F29-I79 HydrophobicContact CE2-CD1 4.3Å; F29-V81 HydrophobicContact CE1-CG1 4.23Å; F29-V81 HydrophobicContact CE1-CG2 4.36Å; F29-V81 HydrophobicContact CZ-CG1 4.46Å; F29-V81 HydrophobicContact CZ-CG2 3.83Å
30L97.9Very high97.8Very high73 Ų7350.4 Ų50.438%0.38226%0.255SS..G310 helixtrans-59.1-26.9169.5-85.6173.7000113.2F26 L28 A32 G33 L35F26-L30 HydrophobicContact CD1-CD1 3.68Å; F26-L30 HydrophobicContact CD1-CG 4.09Å; F26-L30 HydrophobicContact CE1-CD1 3.49Å; F26-L30 VanDerWaalsContact CE1-CD1 3.49Å; F26-L30 HydrophobicContact CE1-CD2 4.16Å; F26-L30 HydrophobicContact CE1-CG 3.9Å; F26-L30 HydrophobicContact CZ-CD1 4.4Å; F26-L30 HydrophobicContact CZ-CD2 4.29Å; F26-L30 HydrophobicContact CZ-CG 4.4Å; F26-L30 WeakPolarHBondContact O-CB 3.36Å; F26-L30 VanDerWaalsContact O-CG 3.28Å; F26-L30 WeakPolarHBondContact O-CG 3.34Å; F26-L30 PolarHBondContact O-N 3.12Å; L28-L30 VanDerWaalsContact C-N 3.32Å; L28-L30 PolarHBondContact O-N 3.3Å; L30-A32 PolarHBondContact O-N 3.29Å; L30-A32 VanDerWaalsContact O-N 3.13Å; L30-G33 PolarHBondContact O-N 3.13Å; L30-L35 HydrophobicContact CD2-CB 3.81Å; L30-L35 HydrophobicContact CG-CB 4.3Å
31Q97Very high97.8Very high139 Ų13951.3 Ų51.365%0.6526%0.261SS*.G310 helixtrans-61.3-23.1-179.2-58.9-55.3-51.100113.4L28 F29 L68L28-Q31 WeakPolarHBondContact O-CB 3.49Å; L28-Q31 VanDerWaalsContact O-CG 3.3Å; L28-Q31 WeakPolarHBondContact O-CG 3.37Å; L28-Q31 PolarHBondContact O-N 2.79Å; F29-Q31 PolarHBondContact O-N 3.49Å; Q31-L68 HydrophobicContact CB-CD2 4.48Å
32A97.1Very high97.7Very high9 Ų954.8 Ų54.87%0.07427%0.271CS..G310 helixtrans-97.2-11-178.900000114.3F29 L30 Y56 Y64 A65 L68 L69F29-A32 PolarHBondContact O-N 2.92Å; L30-A32 PolarHBondContact O-N 3.29Å; L30-A32 VanDerWaalsContact O-N 3.13Å; A32-Y56 HydrophobicContact CB-CE1 4.46Å; A32-Y64 HydrophobicContact CB-CD1 3.92Å; A32-Y64 HydrophobicContact CB-CE1 4.2Å; A32-Y64 WeakPolarHBondContact O-CD1 3.5Å; A32-A65 VanDerWaalsContact CB-CA 3.41Å; A32-A65 HydrophobicContact CB-CB 3.35Å; A32-L68 HydrophobicContact CB-CD2 4.28Å; A32-L69 HydrophobicContact CB-CD1 4.3Å
33G96.9Very high97.5Very high18 Ų1856.4 Ų56.419%0.18628%0.282CS..SBendtrans153.2-179.3176.900000114.8L30 L35L30-G33 PolarHBondContact O-N 3.13Å; G33-L35 PolarHBondContact O-N 3.4Å
34P97.8Very high97.3Very high69 Ų6956 Ų5645%0.44829%0.292SS..  trans-61.8110.6-177.7-21.533000111.8K57P34-K57 HydrophobicContact CB-CB 4.04Å; P34-K57 HydrophobicContact CB-CD 4.32Å; P34-K57 WeakPolarHBondContact O-CB 3.36Å; P34-K57 PolarHBondContact O-N 3.45Å
35L97.8Very high97.1Very high18 Ų1859.8 Ų59.89%0.09431%0.313CS..EExtended strand (participates in β ladder)trans-97.9134.6-176.5-165.467.5000110.5F26 F29 L30 G33 T38 A54 V55 Y56F26-L35 HydrophobicContact CB-CD2 4.44Å; F26-L35 HydrophobicContact CD2-CD2 3.54Å; F26-L35 HydrophobicContact CD2-CG 4.1Å; F26-L35 HydrophobicContact CE2-CB 4.09Å; F26-L35 HydrophobicContact CE2-CD2 3.89Å; F26-L35 HydrophobicContact CE2-CG 3.98Å; F26-L35 HydrophobicContact CG-CD2 4.03Å; F26-L35 HydrophobicContact CZ-CB 4.43Å; F29-L35 HydrophobicContact CB-CD1 4.3Å; F29-L35 HydrophobicContact CB-CD2 3.69Å; L30-L35 HydrophobicContact CD2-CB 3.81Å; L30-L35 HydrophobicContact CG-CB 4.3Å; G33-L35 PolarHBondContact O-N 3.4Å; L35-T38 HydrophobicContact CD2-CG2 3.81Å; L35-A54 HydrophobicContact CD1-CB 4.09Å; L35-V55 VanDerWaalsContact CD1-O 3.31Å; L35-V55 WeakPolarHBondContact CD1-O 3.3Å; L35-Y56 HydrophobicContact CB-CE1 4.44Å; L35-Y56 HydrophobicContact CD1-CD1 3.83Å; L35-Y56 HydrophobicContact CD1-CD2 4.11Å; L35-Y56 HydrophobicContact CD1-CE1 3.73Å; L35-Y56 HydrophobicContact CD1-CE2 4.03Å; L35-Y56 HydrophobicContact CD1-CG 4.02Å
36I97.2Very high96.8Very high91 Ų9161.9 Ų61.947%0.46733%0.334SS..EExtended strand (participates in β ladder)trans-84.3-51.4176.3-64.2177.3000109.9V55 Y56 K57I36-V55 WeakPolarHBondContact CB-O 3.45Å; I36-V55 HydrophobicContact CD1-CG1 4.44Å; I36-V55 PolarHBondContact N-O 2.94Å; I36-Y56 WeakPolarHBondContact CD1-O 3.15Å; I36-K57 HydrophobicContact CD1-CB 4.47Å; I36-K57 HydrophobicContact CG1-CB 4.16Å
37R97.2Very high96.5Very high56 Ų5666.1 Ų66.121%0.21135%0.352CS..EExtended strand (participates in β ladder)trans-163.7157.4-175.161.2-178.2-176.7144.1-1112.4E6 V55E6-R37 IonicContact OE1-CZ 3.74Å; E6-R37 IonicContact OE1-NH2 3.67Å; E6-R37 PolarHBondContact OE1-NH2 3.2Å; R37-V55 HydrophobicContact CG-CB 3.97Å; R37-V55 HydrophobicContact CG-CG2 3.97Å; R37-V55 PolarHBondContact N-O 3.47Å; R37-V55 PolarHBondContact O-N 3.44Å
38T98.1Very high96.4Very high15 Ų1563.3 Ų63.39%0.09234%0.339CS..EExtended strand (participates in β ladder)trans-116.2152.416451.60000109.9E22 L25 F26 L35 F53 A54E22-T38 PolarHBondContact O-OG1 3.16Å; L25-T38 HydrophobicContact CB-CG2 3.99Å; F26-T38 HydrophobicContact CB-CG2 4.09Å; F26-T38 HydrophobicContact CD2-CG2 4.27Å; L35-T38 HydrophobicContact CD2-CG2 3.81Å; T38-F53 CarbonylContact C-O 3.52Å; T38-F53 WeakPolarHBondContact CA-O 3.26Å; T38-A54 HydrophobicContact CG2-CB 4.21Å
39K97.6Very high96.3Very high69 Ų6964.7 Ų64.730%0.334%0.344SS..EExtended strand (participates in β ladder)trans-144128.6176.2-17272.3-155.6143.20111.2E22 G52 F53E22-K39 WeakPolarHBondContact OE1-CD 3.22Å; E22-K39 WeakPolarHBondContact OE1-CE 3.4Å; E22-K39 IonicContact OE1-NZ 2.75Å; E22-K39 PolarHBondContact OE1-NZ 2.75Å; E22-K39 IonicContact OE2-NZ 2.9Å; E22-K39 PolarHBondContact OE2-NZ 3.19Å; K39-G52 CarbonylContact O-C 3.58Å; K39-G52 WeakPolarHBondContact O-CA 3.42Å; K39-F53 PolarHBondContact N-O 2.93Å; K39-F53 PolarHBondContact O-N 3.1Å
40I98.1Very high96.2Very high2 Ų268.4 Ų68.41%0.0137%0.367CS..  trans-109.5107.4168-59.7171.9000106.8L16 V20 E22 L25 Q48L16-I40 HydrophobicContact CD1-CD1 4.19Å; L16-I40 HydrophobicContact CD1-CG1 4.12Å; V20-I40 HydrophobicContact CG1-CD1 4.33Å; E22-I40 HydrophobicContact CG-CB 4.02Å; E22-I40 HydrophobicContact CG-CD1 4.08Å; E22-I40 HydrophobicContact CG-CG1 3.88Å; E22-I40 PolarHBondContact OE1-N 3.37Å; L25-I40 HydrophobicContact CD1-CD1 3.81Å; L25-I40 HydrophobicContact CD1-CG1 3.83Å; I40-Q48 HydrophobicContact CG2-CB 3.89Å; I40-Q48 HydrophobicContact CG2-CG 4.34Å
41P96.9Very high96.2Very high20 Ų2067 Ų6713%0.1336%0.358CS..  trans-58.7143.8175.5-25.336.6000111.2K49 F51 F53P41-K49 HydrophobicContact CB-CD 4.31Å; P41-K49 WeakPolarHBondContact O-CB 3.48Å; P41-K49 PolarHBondContact O-N 2.9Å; P41-F51 HydrophobicContact CB-CE2 4.48Å; P41-F51 WeakPolarHBondContact CD-O 3.45Å; P41-F51 HydrophobicContact CG-CD2 4.38Å; P41-F51 HydrophobicContact CG-CE2 3.75Å; P41-F51 HydrophobicContact CG-CZ 4.36Å; P41-F53 HydrophobicContact CG-CD2 4.38Å; P41-F53 HydrophobicContact CG-CE2 4.03Å
42K95.9Very high96.3Very high127 Ų12760.4 Ų60.455%0.55233%0.327SS*.BIsolated β-bridgetrans-106.1145.1173.3-64.5-179.7178.5-175.30109K47 Q48K42-K47 CarbonylContact C-O 3.45Å; K42-K47 VanDerWaalsContact CA-O 3.29Å; K42-K47 WeakPolarHBondContact CA-O 3.08Å; K42-Q48 HydrophobicContact CG-CG 4.2Å
43D94Very high96.3Very high85 Ų8560.7 Ų60.746%0.45533%0.326SS..  trans-73.2175.3173-152.8-2000111.5D45 G46 K47D43-D45 PolarHBondContact O-N 3.03Å; D43-G46 PolarHBondContact O-N 2.82Å; D43-K47 PolarHBondContact N-O 3.03Å
44S94.4Very high96.4Very high112 Ų11259.8 Ų59.878%0.78332%0.318SS*.THydrogen-bonded Turntrans-55-34.5175.744.60000113.1G46S44-G46 PolarHBondContact O-N 2.86Å
45D92.9Very high96.4Very high126 Ų12656.8 Ų56.867%0.67430%0.298SS*.THydrogen-bonded Turntrans-79.86.4178.5-59.6-90.2000113.5D43 K47D43-D45 PolarHBondContact O-N 3.03Å; D45-K47 PolarHBondContact O-N 2.88Å
46G92.1Very high96.4Very high44 Ų4456 Ų5645%0.45429%0.293SS..SBendtrans74.8-1.8-178.500000114.7D43 S44D43-G46 PolarHBondContact O-N 2.82Å; S44-G46 PolarHBondContact O-N 2.86Å
47K93.7Very high96.3Very high156 Ų15657.3 Ų57.368%0.67830%0.296SS*.PPolyproline II helixtrans-70.8139174.7-67.5-179.2-179.2173.30110.6K42 D43 D45K42-K47 CarbonylContact C-O 3.45Å; K42-K47 VanDerWaalsContact CA-O 3.29Å; K42-K47 WeakPolarHBondContact CA-O 3.08Å; D43-K47 PolarHBondContact N-O 3.03Å; D45-K47 PolarHBondContact O-N 2.88Å
48Q95.1Very high96.3Very high66 Ų6658.9 Ų58.931%0.30831%0.306SS..BIsolated β-bridgetrans-70.4137.9177.8-62.3-172.936.200110.8V20 I40 K42V20-Q48 PolarHBondContact O-OE1 3.02Å; I40-Q48 HydrophobicContact CG2-CB 3.89Å; I40-Q48 HydrophobicContact CG2-CG 4.34Å; K42-Q48 HydrophobicContact CG-CG 4.2Å
49K96.2Very high96.1Very high64 Ų6462.3 Ų62.328%0.27832%0.321SS..PPolyproline II helixtrans-72.4157.8170.6-65.2-162.9177.1-1650110P41 F51P41-K49 HydrophobicContact CB-CD 4.31Å; P41-K49 WeakPolarHBondContact O-CB 3.48Å; P41-K49 PolarHBondContact O-N 2.9Å; K49-F51 HydrophobicContact CB-CD1 3.9Å; K49-F51 HydrophobicContact CB-CE1 3.8Å; K49-F51 HydrophobicContact CB-CZ 4.33Å; K49-F51 HydrophobicContact CD-CD1 4.36Å; K49-F51 HydrophobicContact CD-CE1 3.4Å; K49-F51 VanDerWaalsContact CD-CE1 3.4Å; K49-F51 HydrophobicContact CD-CZ 3.56Å; K49-F51 HydrophobicContact CG-CE1 4.21Å; K49-F51 PolarHBondContact O-N 2.91Å; K49-F51 VanDerWaalsContact O-N 3.07Å
50T96.6Very high96Very high78 Ų7864.5 Ų64.548%0.47934%0.339SS..SBendtrans-81.923.7-178.655.50000113.4N15 L16N15-T50 PolarHBondContact N-O 3.08Å; N15-T50 VanDerWaalsContact N-O 3.1Å; L16-T50 PolarHBondContact N-O 2.77Å
51F98Very high96Very high43 Ų4365 Ų6519%0.18934%0.343CS..EExtended strand (participates in β ladder)trans-146.2160.117868.5-99.1000111.2F12 I13 L16 P41 K49 F53F12-F51 HydrophobicContact CD2-CD2 4.39Å; F12-F51 HydrophobicContact CE2-CB 3.75Å; F12-F51 AromaticContact CE2-CD2 3.56Å; F12-F51 HydrophobicContact CE2-CD2 3.56Å; F12-F51 HydrophobicContact CE2-CE2 4.28Å; F12-F51 AromaticContact CE2-CG 3.79Å; F12-F51 HydrophobicContact CE2-CG 3.79Å; F12-F51 HydrophobicContact CZ-CB 4.16Å; F12-F51 HydrophobicContact CZ-CD2 4.45Å; F12-F51 HydrophobicContact CZ-CG 4.31Å; I13-F51 CarbonylContact O-C 3.58Å; I13-F51 WeakPolarHBondContact O-CA 3.4Å; I13-F51 VanDerWaalsContact O-CB 3.22Å; I13-F51 WeakPolarHBondContact O-CB 3.34Å; L16-F51 VanDerWaalsContact CD1-C 3.49Å; P41-F51 HydrophobicContact CB-CE2 4.48Å; P41-F51 WeakPolarHBondContact CD-O 3.45Å; P41-F51 HydrophobicContact CG-CD2 4.38Å; P41-F51 HydrophobicContact CG-CE2 3.75Å; P41-F51 HydrophobicContact CG-CZ 4.36Å; K49-F51 HydrophobicContact CB-CD1 3.9Å; K49-F51 HydrophobicContact CB-CE1 3.8Å; K49-F51 HydrophobicContact CB-CZ 4.33Å; K49-F51 HydrophobicContact CD-CD1 4.36Å; K49-F51 HydrophobicContact CD-CE1 3.4Å; K49-F51 VanDerWaalsContact CD-CE1 3.4Å; K49-F51 HydrophobicContact CD-CZ 3.56Å; K49-F51 HydrophobicContact CG-CE1 4.21Å; K49-F51 PolarHBondContact O-N 2.91Å; K49-F51 VanDerWaalsContact O-N 3.07Å; F51-F53 HydrophobicContact CD2-CE2 4.03Å; F51-F53 HydrophobicContact CD2-CZ 4.24Å; F51-F53 AromaticContact CE2-CE2 3.75Å; F51-F53 HydrophobicContact CE2-CE2 3.75Å; F51-F53 AromaticContact CE2-CZ 3.99Å; F51-F53 HydrophobicContact CE2-CZ 3.99Å
52G97.9Very high96Very high0 Ų064 Ų640%034%0.337CS..EExtended strand (participates in β ladder)trans-150.4179.9177.600000112.4I13 K39I13-G52 PolarHBondContact N-O 2.91Å; I13-G52 PolarHBondContact O-N 3.34Å; K39-G52 CarbonylContact O-C 3.58Å; K39-G52 WeakPolarHBondContact O-CA 3.42Å
53F98.3Very high96Very high15 Ų1560.5 Ų60.57%0.06633%0.327CS..EExtended strand (participates in β ladder)trans-129.4143.3178.6-58.5-83.6000110.3T10 L11 F12 T38 K39 P41 F51 W260T10-F53 HydrophobicContact CG2-CB 4.04Å; T10-F53 HydrophobicContact CG2-CD1 4.1Å; L11-F53 VanDerWaalsContact O-CA 3.26Å; L11-F53 WeakPolarHBondContact O-CA 3.29Å; F12-F53 HydrophobicContact CB-CD1 4.49Å; F12-F53 HydrophobicContact CB-CE1 4.37Å; F12-F53 HydrophobicContact CD2-CD1 4.1Å; F12-F53 AromaticContact CD2-CE1 3.54Å; F12-F53 HydrophobicContact CD2-CE1 3.54Å; F12-F53 AromaticContact CD2-CZ 3.98Å; F12-F53 HydrophobicContact CD2-CZ 3.98Å; F12-F53 HydrophobicContact CE2-CE1 4.25Å; F12-F53 HydrophobicContact CE2-CZ 4.24Å; F12-F53 HydrophobicContact CG-CE1 4.35Å; T38-F53 CarbonylContact C-O 3.52Å; T38-F53 WeakPolarHBondContact CA-O 3.26Å; K39-F53 PolarHBondContact N-O 2.93Å; K39-F53 PolarHBondContact O-N 3.1Å; P41-F53 HydrophobicContact CG-CD2 4.38Å; P41-F53 HydrophobicContact CG-CE2 4.03Å; F51-F53 HydrophobicContact CD2-CE2 4.03Å; F51-F53 HydrophobicContact CD2-CZ 4.24Å; F51-F53 AromaticContact CE2-CE2 3.75Å; F51-F53 HydrophobicContact CE2-CE2 3.75Å; F51-F53 AromaticContact CE2-CZ 3.99Å; F51-F53 HydrophobicContact CE2-CZ 3.99Å; F53-W260 HydrophobicContact CB-CH2 4.45Å; F53-W260 HydrophobicContact CD1-CH2 4.29Å; F53-W260 HydrophobicContact CD1-CZ3 4.33Å; F53-W260 HydrophobicContact CD2-CE3 4.34Å; F53-W260 AromaticContact CD2-CH2 3.95Å; F53-W260 HydrophobicContact CD2-CH2 3.95Å; F53-W260 AromaticContact CD2-CZ3 3.8Å; F53-W260 HydrophobicContact CD2-CZ3 3.8Å; F53-W260 HydrophobicContact CE1-CZ3 4.17Å; F53-W260 AromaticContact CE2-CE3 3.99Å; F53-W260 HydrophobicContact CE2-CE3 3.99Å; F53-W260 HydrophobicContact CE2-CH2 4.24Å; F53-W260 AromaticContact CE2-CZ3 3.61Å; F53-W260 HydrophobicContact CE2-CZ3 3.61Å; F53-W260 AromaticContact CG-CH2 3.97Å; F53-W260 HydrophobicContact CG-CH2 3.97Å; F53-W260 HydrophobicContact CG-CZ3 4.15Å; F53-W260 HydrophobicContact CZ-CE3 4.46Å; F53-W260 AromaticContact CZ-CZ3 3.82Å; F53-W260 HydrophobicContact CZ-CZ3 3.82Å
54A98.4Very high96.2Very high0 Ų062.3 Ų62.30%033%0.328CS..EExtended strand (participates in β ladder)trans-122.2122.6171.600000109T10 L11 I13 F29 L35 T38T10-A54 CarbonylContact C-O 3.49Å; T10-A54 WeakPolarHBondContact CA-O 3.41Å; L11-A54 PolarHBondContact N-O 3.13Å; L11-A54 PolarHBondContact O-N 2.82Å; I13-A54 HydrophobicContact CD1-CB 3.94Å; F29-A54 HydrophobicContact CB-CB 4.33Å; F29-A54 HydrophobicContact CD1-CB 3.66Å; F29-A54 HydrophobicContact CE1-CB 4.17Å; F29-A54 HydrophobicContact CG-CB 3.98Å; L35-A54 HydrophobicContact CD1-CB 4.09Å; T38-A54 HydrophobicContact CG2-CB 4.21Å
55V97.7Very high96.4Very high6 Ų657 Ų574%0.03629%0.291CS..EExtended strand (participates in β ladder)trans-108.5116.9-177.6-172.50000109.2E6 T10 L35 I36 R37E6-V55 HydrophobicContact CG-CG1 4.08Å; T10-V55 HydrophobicContact CG2-CG2 4.1Å; L35-V55 VanDerWaalsContact CD1-O 3.31Å; L35-V55 WeakPolarHBondContact CD1-O 3.3Å; I36-V55 WeakPolarHBondContact CB-O 3.45Å; I36-V55 HydrophobicContact CD1-CG1 4.44Å; I36-V55 PolarHBondContact N-O 2.94Å; R37-V55 HydrophobicContact CG-CB 3.97Å; R37-V55 HydrophobicContact CG-CG2 3.97Å; R37-V55 PolarHBondContact N-O 3.47Å; R37-V55 PolarHBondContact O-N 3.44Å
56Y98.1Very high96.6Very high0 Ų052.5 Ų52.50%027%0.266CS..EExtended strand (participates in β ladder)trans-86.6158.1176.9-75.5-83000112.4R9 L11 F29 A32 L35 I36 H58 V62 A65R9-Y56 PolarHBondContact O-N 3.45Å; L11-Y56 HydrophobicContact CD1-CE2 3.9Å; F29-Y56 WeakPolarHBondContact CB-OH 3.26Å; F29-Y56 HydrophobicContact CD1-CE2 4.34Å; F29-Y56 WeakPolarHBondContact CD1-OH 3.49Å; F29-Y56 WeakPolarHBondContact O-CE1 3.47Å; F29-Y56 PolarHBondContact O-OH 2.93Å; A32-Y56 HydrophobicContact CB-CE1 4.46Å; L35-Y56 HydrophobicContact CB-CE1 4.44Å; L35-Y56 HydrophobicContact CD1-CD1 3.83Å; L35-Y56 HydrophobicContact CD1-CD2 4.11Å; L35-Y56 HydrophobicContact CD1-CE1 3.73Å; L35-Y56 HydrophobicContact CD1-CE2 4.03Å; L35-Y56 HydrophobicContact CD1-CG 4.02Å; I36-Y56 WeakPolarHBondContact CD1-O 3.15Å; Y56-H58 VanDerWaalsContact C-N 3.35Å; Y56-H58 WeakPolarHBondContact CB-O 3.29Å; Y56-V62 HydrophobicContact CD2-CG2 4.01Å; Y56-A65 HydrophobicContact CE2-CB 3.76Å; Y56-A65 VanDerWaalsContact OH-CB 3.26Å; Y56-A65 WeakPolarHBondContact OH-CB 3.33Å
57K96.3Very high96.8Very high120 Ų12058.3 Ų58.352%0.52228%0.282SS..SBendtrans-67.8-39.6171.3-171.2177.9175.8-178.20111.5R9 P34 I36R9-K57 WeakPolarHBondContact CD-O 3.44Å; R9-K57 PolarHBondContact NH1-O 3.19Å; P34-K57 HydrophobicContact CB-CB 4.04Å; P34-K57 HydrophobicContact CB-CD 4.32Å; P34-K57 WeakPolarHBondContact O-CB 3.36Å; P34-K57 PolarHBondContact O-N 3.45Å; I36-K57 HydrophobicContact CD1-CB 4.47Å; I36-K57 HydrophobicContact CG1-CB 4.16Å
58H95.4Very high97Very high89 Ų8954.7 Ų54.741%0.41227%0.269SS..SBendtrans-122.3140.2-175.3-57.3-69.9000110.8Y56 V60 S61Y56-H58 VanDerWaalsContact C-N 3.35Å; Y56-H58 WeakPolarHBondContact CB-O 3.29Å; H58-V60 VanDerWaalsContact C-N 3.32Å; H58-V60 HydrophobicContact CB-CG1 4.03Å; H58-V60 PolarHBondContact O-N 3.39Å; H58-S61 PolarHBondContact O-N 3Å
59E95.4Very high97.2Very high87 Ų8752 Ų5241%0.40726%0.257SS..THydrogen-bonded Turntrans-63.3-38.5179.7178.9-172.4162.900112.1D8 R9 S61 V62 P63 H89D8-E59 HydrophobicContact CB-CG 4.06Å; R9-E59 HydrophobicContact CG-CB 3.97Å; E59-S61 PolarHBondContact O-N 3.2Å; E59-V62 VanDerWaalsContact O-CB 3.27Å; E59-V62 WeakPolarHBondContact O-CB 3.43Å; E59-V62 WeakPolarHBondContact O-CG2 3.47Å; E59-V62 PolarHBondContact O-N 3.04Å; E59-P63 WeakPolarHBondContact O-CD 3.34Å; E59-H89 IonicContact OE1-CD2 3.64Å; E59-H89 IonicContact OE1-CE1 3.7Å; E59-H89 IonicContact OE1-NE2 3.98Å; E59-H89 PolarHBondContact OE1-NE2 3.28Å
60V94.9Very high97.3Very high115 Ų11553 Ų5370%0.69727%0.265SS*.THydrogen-bonded Turntrans-56-24.318068.20000113.5H58 V62 P63H58-V60 VanDerWaalsContact C-N 3.32Å; H58-V60 HydrophobicContact CB-CG1 4.03Å; H58-V60 PolarHBondContact O-N 3.39Å; V60-V62 VanDerWaalsContact C-N 3.34Å; V60-P63 WeakPolarHBondContact O-CD 3.37Å
61S97.2Very high97.3Very high11 Ų1151.1 Ų51.18%0.07726%0.262CS..Hα-helixtrans-72.3-25.7176.6-59.60000113.2H58 E59 A65H58-S61 PolarHBondContact O-N 3Å; E59-S61 PolarHBondContact O-N 3.2Å; S61-A65 WeakPolarHBondContact O-CB 3.27Å; S61-A65 PolarHBondContact O-N 3.4Å
62V97.3Very high97.3Very high1 Ų151 Ų511%0.00627%0.265CS..Hα-helixtrans-63.7-53.4-174.7177.20000113.4D8 L11 Y56 E59 V60 Y64 A65 M66 F83D8-V62 WeakPolarHBondContact O-CG2 3.36Å; L11-V62 HydrophobicContact CD2-CG1 3.41Å; L11-V62 VanDerWaalsContact CD2-CG1 3.41Å; L11-V62 HydrophobicContact CG-CG1 3.85Å; Y56-V62 HydrophobicContact CD2-CG2 4.01Å; E59-V62 VanDerWaalsContact O-CB 3.27Å; E59-V62 WeakPolarHBondContact O-CB 3.43Å; E59-V62 WeakPolarHBondContact O-CG2 3.47Å; E59-V62 PolarHBondContact O-N 3.04Å; V60-V62 VanDerWaalsContact C-N 3.34Å; V62-Y64 VanDerWaalsContact C-N 3.31Å; V62-Y64 PolarHBondContact O-N 3.09Å; V62-A65 PolarHBondContact O-N 2.82Å; V62-M66 PolarHBondContact O-N 2.81Å; V62-F83 HydrophobicContact CG1-CD1 3.72Å; V62-F83 HydrophobicContact CG1-CE1 3.82Å
63P96.9Very high97.4Very high52 Ų5254.8 Ų54.834%0.33829%0.29SS..Hα-helixtrans-63.8-38178.624.2-34.2000112.1E59 V60 M66 Q67E59-P63 WeakPolarHBondContact O-CD 3.34Å; V60-P63 WeakPolarHBondContact O-CD 3.37Å; P63-M66 PolarHBondContact O-N 3.43Å; P63-Q67 PolarHBondContact O-N 3.18Å; P63-Q67 VanDerWaalsContact O-N 3.13Å
64Y97.9Very high97.3Very high123 Ų12355.1 Ų55.148%0.48229%0.293SS..Hα-helixtrans-64.5-47.2176.5178.6-115.1000112A32 V62 M66 Q67 L68A32-Y64 HydrophobicContact CB-CD1 3.92Å; A32-Y64 HydrophobicContact CB-CE1 4.2Å; A32-Y64 WeakPolarHBondContact O-CD1 3.5Å; V62-Y64 VanDerWaalsContact C-N 3.31Å; V62-Y64 PolarHBondContact O-N 3.09Å; Y64-M66 VanDerWaalsContact C-N 3.31Å; Y64-M66 PolarHBondContact O-N 2.85Å; Y64-Q67 PolarHBondContact O-N 2.84Å; Y64-L68 HydrophobicContact CE1-CD2 4.01Å; Y64-L68 WeakPolarHBondContact O-CB 3.13Å; Y64-L68 PolarHBondContact O-N 3.07Å
65A98.1Very high97.3Very high0 Ų060.4 Ų60.40%031%0.314CS..Hα-helixtrans-59.6-40.3176.700000112.7L11 A32 Y56 S61 V62 L68 L69L11-A65 HydrophobicContact CD1-CB 3.6Å; A32-A65 VanDerWaalsContact CB-CA 3.41Å; A32-A65 HydrophobicContact CB-CB 3.35Å; Y56-A65 HydrophobicContact CE2-CB 3.76Å; Y56-A65 VanDerWaalsContact OH-CB 3.26Å; Y56-A65 WeakPolarHBondContact OH-CB 3.33Å; S61-A65 WeakPolarHBondContact O-CB 3.27Å; S61-A65 PolarHBondContact O-N 3.4Å; V62-A65 PolarHBondContact O-N 2.82Å; A65-L68 PolarHBondContact O-N 2.86Å; A65-L69 WeakPolarHBondContact O-CB 3.09Å; A65-L69 PolarHBondContact O-N 3.13Å
66M97.3Very high97.2Very high33 Ų3363.8 Ų63.816%0.16335%0.349CS..Hα-helixtrans-60.5-48.1174.7-179.3177.5-64.200111.6L11 V62 P63 Y64 L68 N70 V81 F83L11-M66 HydrophobicContact CD2-CB 4.37Å; L11-M66 HydrophobicContact CD2-CE 3.81Å; V62-M66 PolarHBondContact O-N 2.81Å; P63-M66 PolarHBondContact O-N 3.43Å; Y64-M66 VanDerWaalsContact C-N 3.31Å; Y64-M66 PolarHBondContact O-N 2.85Å; M66-L68 VanDerWaalsContact C-N 3.33Å; M66-L68 PolarHBondContact O-N 2.8Å; M66-N70 WeakPolarHBondContact O-CB 3.26Å; M66-N70 PolarHBondContact O-N 3.33Å; M66-V81 HydrophobicContact CB-CG1 4.42Å; M66-V81 HydrophobicContact CG-CG1 4.46Å; M66-F83 HydrophobicContact CE-CB 4.12Å; M66-F83 HydrophobicContact CE-CD1 3.34Å; M66-F83 HydrophobicContact CE-CD2 3.45Å; M66-F83 VanDerWaalsContact CE-CD2 3.45Å; M66-F83 HydrophobicContact CE-CE1 3.45Å; M66-F83 VanDerWaalsContact CE-CE1 3.45Å; M66-F83 HydrophobicContact CE-CE2 3.55Å; M66-F83 HydrophobicContact CE-CG 3.34Å; M66-F83 HydrophobicContact CE-CZ 3.54Å; M66-F83 HydrophobicContact SD-CD1 4.49Å; M66-F83 HydrophobicContact SD-CD2 4.02Å; M66-F83 HydrophobicContact SD-CE1 4.1Å; M66-F83 HydrophobicContact SD-CE2 3.56Å; M66-F83 VanDerWaalsContact SD-CE2 3.56Å; M66-F83 HydrophobicContact SD-CG 4.45Å; M66-F83 HydrophobicContact SD-CZ 3.6Å
67Q97.1Very high97.2Very high166 Ų16666.6 Ų66.678%0.77636%0.362SS*.Hα-helixtrans-64.3-39.7180-174.1178.44.900112.1P63 Y64P63-Q67 PolarHBondContact O-N 3.18Å; P63-Q67 VanDerWaalsContact O-N 3.13Å; Y64-Q67 PolarHBondContact O-N 2.84Å
68L98Very high97.3Very high80 Ų8064 Ų6442%0.41936%0.356SS..Hα-helixtrans-75.8-43.1-175.1-179.862.8000113.2Q31 A32 Y64 A65 M66Q31-L68 HydrophobicContact CB-CD2 4.48Å; A32-L68 HydrophobicContact CB-CD2 4.28Å; Y64-L68 HydrophobicContact CE1-CD2 4.01Å; Y64-L68 WeakPolarHBondContact O-CB 3.13Å; Y64-L68 PolarHBondContact O-N 3.07Å; A65-L68 PolarHBondContact O-N 2.86Å; M66-L68 VanDerWaalsContact C-N 3.33Å; M66-L68 PolarHBondContact O-N 2.8Å
69L98.2Very high97.4Very high9 Ų959.8 Ų59.85%0.04734%0.336CS..Hα-helixtrans-106.9-14-164.5-58.9173.2000113.8L28 F29 A32 A65 G71 T72L28-L69 HydrophobicContact CD1-CD2 3.92Å; L28-L69 HydrophobicContact CG-CD2 4.21Å; F29-L69 HydrophobicContact CB-CD1 4.33Å; F29-L69 HydrophobicContact CD1-CD1 3.78Å; F29-L69 HydrophobicContact CD2-CD1 4.19Å; F29-L69 HydrophobicContact CE1-CD1 4.03Å; F29-L69 HydrophobicContact CE2-CD1 4.42Å; F29-L69 HydrophobicContact CG-CD1 3.86Å; F29-L69 HydrophobicContact CZ-CD1 4.33Å; A32-L69 HydrophobicContact CB-CD1 4.3Å; A65-L69 WeakPolarHBondContact O-CB 3.09Å; A65-L69 PolarHBondContact O-N 3.13Å; L69-G71 PolarHBondContact O-N 3.26Å; L69-T72 WeakPolarHBondContact O-CB 3.28Å; L69-T72 PolarHBondContact O-N 2.9Å; L69-T72 PolarHBondContact O-OG1 3.38Å
70N98.1Very high97.6Very high85 Ų8560 Ų6046%0.45534%0.338SS..THydrogen-bonded Turntrans-62130.7175.8-176.849000110.8M66 Q80 V81M66-N70 WeakPolarHBondContact O-CB 3.26Å; M66-N70 PolarHBondContact O-N 3.33Å; N70-Q80 WeakPolarHBondContact OD1-CA 3.18Å; N70-V81 HydrophobicContact CB-CB 4.03Å; N70-V81 HydrophobicContact CB-CG2 4.35Å; N70-V81 PolarHBondContact OD1-N 3.36Å
71G97.8Very high97.7Very high39 Ų3954.9 Ų54.940%0.40231%0.307SS..THydrogen-bonded Turntrans88.14.8-177.200000114.8L69 S73 T78 I79L69-G71 PolarHBondContact O-N 3.26Å; G71-S73 PolarHBondContact O-N 3.43Å; G71-T78 WeakPolarHBondContact O-CG2 3.1Å; G71-I79 WeakPolarHBondContact CA-O 3.26Å; G71-I79 PolarHBondContact N-O 3.46Å
72T98.1Very high97.8Very high41 Ų4157.8 Ų57.825%0.25232%0.319SS..  trans-65133.1173.8-56.70000111L28 L69 L74 I79L28-T72 HydrophobicContact CD1-CG2 4.3Å; L28-T72 HydrophobicContact CD2-CG2 4.2Å; L69-T72 WeakPolarHBondContact O-CB 3.28Å; L69-T72 PolarHBondContact O-N 2.9Å; L69-T72 PolarHBondContact O-OG1 3.38Å; T72-L74 HydrophobicContact CG2-CD2 4.38Å; T72-I79 WeakPolarHBondContact O-CG1 3.49Å; T72-I79 PolarHBondContact O-N 2.86Å
73S98.1Very high97.7Very high78 Ų7860.3 Ų60.355%0.54533%0.33SS..EExtended strand (participates in β ladder)trans-88.4121.4175.8-59.90000111.5G71 K77 T78G71-S73 PolarHBondContact O-N 3.43Å; S73-K77 CarbonylContact C-O 3.45Å; S73-K77 WeakPolarHBondContact CA-O 3.49Å; S73-T78 PolarHBondContact OG-OG1 2.91Å
74L97.4Very high97.6Very high23 Ų2359.8 Ų59.812%0.1232%0.321CS..EExtended strand (participates in β ladder)trans-117.9124.3172.2-61.3179.8000108.9V20 L25 L28 T72 G76 K77 I79V20-L74 HydrophobicContact CG1-CD1 4.31Å; V20-L74 HydrophobicContact CG2-CB 4.01Å; V20-L74 HydrophobicContact CG2-CD1 4.11Å; L25-L74 HydrophobicContact CD2-CD1 4.1Å; L28-L74 HydrophobicContact CD2-CD1 4.08Å; L28-L74 HydrophobicContact CD2-CD2 4.3Å; T72-L74 HydrophobicContact CG2-CD2 4.38Å; L74-G76 PolarHBondContact O-N 3.35Å; L74-G76 VanDerWaalsContact O-N 3.12Å; L74-K77 PolarHBondContact N-O 2.69Å; L74-K77 PolarHBondContact O-N 3.47Å; L74-K77 VanDerWaalsContact O-O 3.13Å; L74-I79 HydrophobicContact CB-CG2 4.39Å; L74-I79 HydrophobicContact CD1-CD1 4.46Å; L74-I79 HydrophobicContact CD1-CG2 3.89Å; L74-I79 HydrophobicContact CG-CG2 4.11Å
75Y97.7Very high97.3Very high111 Ų11159.3 Ų59.344%0.43533%0.331SS..THydrogen-bonded Turntrans52.933.5179.5-61.9-68.2000114.6D17 R19 V20 L24 K77D17-Y75 HydrophobicContact CB-CD2 4.35Å; R19-Y75 HydrophobicContact CB-CD1 4.35Å; R19-Y75 HydrophobicContact CB-CD2 3.97Å; R19-Y75 HydrophobicContact CB-CE1 4.34Å; R19-Y75 HydrophobicContact CB-CE2 3.95Å; R19-Y75 HydrophobicContact CB-CG 4.18Å; R19-Y75 PolarHBondContact NH2-O 2.95Å; R19-Y75 WeakPolarHBondContact O-CE2 3.47Å; V20-Y75 HydrophobicContact CG2-CD2 3.67Å; V20-Y75 HydrophobicContact CG2-CE2 3.99Å; L24-Y75 HydrophobicContact CD2-CE2 3.63Å; Y75-K77 VanDerWaalsContact C-N 3.3Å; Y75-K77 PolarHBondContact O-N 3.43Å
76G96.6Very high96.8Very high76 Ų7662.3 Ų62.378%0.78436%0.362SS*.THydrogen-bonded Turntrans82.6-0.8-178.300000114.9L74L74-G76 PolarHBondContact O-N 3.35Å; L74-G76 VanDerWaalsContact O-N 3.12Å
77K97.7Very high96.5Very high59 Ų5961.1 Ų61.126%0.25736%0.357SS..EExtended strand (participates in β ladder)trans-106.9131.2173.5-65-173.269.7-172.50110.9N15 L16 D17 S73 L74 Y75N15-K77 WeakPolarHBondContact O-CE 3.43Å; N15-K77 WeakPolarHBondContact OD1-CE 3.49Å; N15-K77 PolarHBondContact OD1-NZ 2.88Å; N15-K77 VanDerWaalsContact OD1-NZ 3.13Å; L16-K77 PolarHBondContact O-NZ 3.06Å; D17-K77 HydrophobicContact CB-CD 3.86Å; D17-K77 HydrophobicContact CB-CG 4.38Å; D17-K77 WeakPolarHBondContact OD2-CD 3.32Å; S73-K77 CarbonylContact C-O 3.45Å; S73-K77 WeakPolarHBondContact CA-O 3.49Å; L74-K77 PolarHBondContact N-O 2.69Å; L74-K77 PolarHBondContact O-N 3.47Å; L74-K77 VanDerWaalsContact O-O 3.13Å; Y75-K77 VanDerWaalsContact C-N 3.3Å; Y75-K77 PolarHBondContact O-N 3.43Å
78T98.3Very high96.1Very high65 Ų6557.9 Ų57.940%0.39935%0.352SS..EExtended strand (participates in β ladder)trans-82.1117.6176.1-62.70000110.8N15 G71 S73N15-T78 PolarHBondContact ND2-O 2.95Å; G71-T78 WeakPolarHBondContact O-CG2 3.1Å; S73-T78 PolarHBondContact OG-OG1 2.91Å
79I98.4Very high95.5Very high1 Ų156.3 Ų56.31%0.00534%0.343CS..  trans-73.8147.417974.8-175.8000110.7I13 L16 L28 F29 G71 T72 L74 V81I13-I79 HydrophobicContact CG2-CB 4.24Å; I13-I79 HydrophobicContact CG2-CD1 4.35Å; L16-I79 HydrophobicContact CD2-CG2 3.9Å; L28-I79 HydrophobicContact CD2-CD1 3.95Å; F29-I79 HydrophobicContact CE2-CD1 4.3Å; G71-I79 WeakPolarHBondContact CA-O 3.26Å; G71-I79 PolarHBondContact N-O 3.46Å; T72-I79 WeakPolarHBondContact O-CG1 3.49Å; T72-I79 PolarHBondContact O-N 2.86Å; L74-I79 HydrophobicContact CB-CG2 4.39Å; L74-I79 HydrophobicContact CD1-CD1 4.46Å; L74-I79 HydrophobicContact CD1-CG2 3.89Å; L74-I79 HydrophobicContact CG-CG2 4.11Å; I79-V81 HydrophobicContact CD1-CG2 4.31Å; I79-V81 HydrophobicContact CG1-CG2 4.3Å
80Q98.3Very high94.7Very high93 Ų9357.5 Ų57.544%0.43535%0.352SS..EExtended strand (participates in β ladder)trans-115.3123.4173.4-64.7-178.1-16.900109.4I13 R14 N70I13-Q80 CarbonylContact C-O 3.57Å; I13-Q80 WeakPolarHBondContact CA-O 3.43Å; R14-Q80 HydrophobicContact CB-CB 4.22Å; R14-Q80 PolarHBondContact N-O 3.05Å; R14-Q80 PolarHBondContact O-N 3.47Å; N70-Q80 WeakPolarHBondContact OD1-CA 3.18Å
81V98.1Very high93.3Very high7 Ų758.2 Ų58.24%0.04236%0.364CS..EExtended strand (participates in β ladder)trans-105.9129.3-177.9-175.90000109L11 F29 M66 N70 I79L11-V81 HydrophobicContact CB-CG1 4.15Å; L11-V81 HydrophobicContact CD1-CG1 3.73Å; L11-V81 HydrophobicContact CD2-CG1 4.02Å; L11-V81 HydrophobicContact CG-CG1 4.2Å; F29-V81 HydrophobicContact CE1-CG1 4.23Å; F29-V81 HydrophobicContact CE1-CG2 4.36Å; F29-V81 HydrophobicContact CZ-CG1 4.46Å; F29-V81 HydrophobicContact CZ-CG2 3.83Å; M66-V81 HydrophobicContact CB-CG1 4.42Å; M66-V81 HydrophobicContact CG-CG1 4.46Å; N70-V81 HydrophobicContact CB-CB 4.03Å; N70-V81 HydrophobicContact CB-CG2 4.35Å; N70-V81 PolarHBondContact OD1-N 3.36Å; I79-V81 HydrophobicContact CD1-CG2 4.31Å; I79-V81 HydrophobicContact CG1-CG2 4.3Å
82Q97.7Very high91.3Very high71 Ų7163.3 Ų63.333%0.33239%0.39SS..EExtended strand (participates in β ladder)trans-135.5156.4-175.9-59.1-174.98.800110.2F12F12-Q82 HydrophobicContact CB-CB 4.47Å; F12-Q82 HydrophobicContact CD1-CB 4.27Å; F12-Q82 PolarHBondContact N-O 3.4Å; F12-Q82 PolarHBondContact O-N 3.41Å
83F96.6Very high89.2Confident55 Ų5564.2 Ų64.224%0.24141%0.407CS..EExtended strand (participates in β ladder)trans-67.4142.1172.7-65-63.2000108.2L11 V62 M66 T85 H89L11-F83 HydrophobicContact CD2-CD1 4.23Å; V62-F83 HydrophobicContact CG1-CD1 3.72Å; V62-F83 HydrophobicContact CG1-CE1 3.82Å; M66-F83 HydrophobicContact CE-CB 4.12Å; M66-F83 HydrophobicContact CE-CD1 3.34Å; M66-F83 HydrophobicContact CE-CD2 3.45Å; M66-F83 VanDerWaalsContact CE-CD2 3.45Å; M66-F83 HydrophobicContact CE-CE1 3.45Å; M66-F83 VanDerWaalsContact CE-CE1 3.45Å; M66-F83 HydrophobicContact CE-CE2 3.55Å; M66-F83 HydrophobicContact CE-CG 3.34Å; M66-F83 HydrophobicContact CE-CZ 3.54Å; M66-F83 HydrophobicContact SD-CD1 4.49Å; M66-F83 HydrophobicContact SD-CD2 4.02Å; M66-F83 HydrophobicContact SD-CE1 4.1Å; M66-F83 HydrophobicContact SD-CE2 3.56Å; M66-F83 VanDerWaalsContact SD-CE2 3.56Å; M66-F83 HydrophobicContact SD-CG 4.45Å; M66-F83 HydrophobicContact SD-CZ 3.6Å; F83-T85 PolarHBondContact O-N 3.16Å; F83-H89 HydrophobicContact CB-CB 4.06Å; F83-H89 HydrophobicContact CD1-CB 3.27Å; F83-H89 AromaticContact CD1-CG 3.94Å; F83-H89 HydrophobicContact CD2-CB 3.81Å; F83-H89 VanDerWaalsContact CD2-O 3.26Å; F83-H89 WeakPolarHBondContact CD2-O 3.32Å; F83-H89 HydrophobicContact CE1-CB 3.52Å; F83-H89 AromaticContact CE1-CG 3.83Å; F83-H89 AromaticContact CE1-ND1 3.72Å; F83-H89 HydrophobicContact CE2-CB 4.03Å; F83-H89 HydrophobicContact CG-CB 3.43Å; F83-H89 VanDerWaalsContact CG-CB 3.43Å; F83-H89 HydrophobicContact CZ-CB 3.9Å
84R94.7Very high86.9Confident41 Ų4166.8 Ų66.816%0.15542%0.415CS..PPolyproline II helixtrans-61.7136.3176178.3170.4177.6-85.8-1.1109.5T10 G86 S87 S90 Y263T10-R84 HydrophobicContact CG2-CB 4.25Å; T10-R84 HydrophobicContact CG2-CG 4.46Å; T10-R84 WeakPolarHBondContact O-CB 3.45Å; T10-R84 PolarHBondContact O-N 3.38Å; R84-G86 PolarHBondContact O-N 2.75Å; R84-S87 VanDerWaalsContact O-CB 3.26Å; R84-S87 WeakPolarHBondContact O-CB 3.31Å; R84-S87 PolarHBondContact O-N 2.73Å; R84-S87 PolarHBondContact O-OG 2.81Å; R84-S90 PolarHBondContact O-OG 2.84Å; R84-Y263 PolarHBondContact NH2-OH 3.27Å
85T90.8Very high84.6Confident113 Ų11371.9 Ų71.969%0.69345%0.452SS*.THydrogen-bonded Turntrans-55.6132.2174.4-52.50000111F83 S87F83-T85 PolarHBondContact O-N 3.16Å; T85-S87 VanDerWaalsContact C-N 3.31Å
86G88.1Confident82.3Confident63 Ų6374.6 Ų74.665%0.64947%0.469SS*.THydrogen-bonded Turntrans8210.5-177.600000113.7R84 S90R84-G86 PolarHBondContact O-N 2.75Å; G86-S90 PolarHBondContact N-OG 2.8Å
87S89.9Confident80Confident7 Ų777.5 Ų77.55%0.04947%0.467CS..SBendtrans-81.4151.2161.560.80000110.4D8 R84 T85 H89 S90D8-S87 VanDerWaalsContact OD1-C 3.31Å; D8-S87 WeakPolarHBondContact OD1-CA 3.39Å; D8-S87 WeakPolarHBondContact OD1-CB 3.36Å; R84-S87 VanDerWaalsContact O-CB 3.26Å; R84-S87 WeakPolarHBondContact O-CB 3.31Å; R84-S87 PolarHBondContact O-N 2.73Å; R84-S87 PolarHBondContact O-OG 2.81Å; T85-S87 VanDerWaalsContact C-N 3.31Å; S87-H89 PolarHBondContact O-N 3.44Å; S87-S90 PolarHBondContact N-OG 2.68Å; S87-S90 PolarHBondContact O-N 3.07Å; S87-S90 PolarHBondContact O-OG 3.41Å; S87-S90 PolarHBondContact OG-N 2.89Å; S87-S90 VanDerWaalsContact OG-N 3.15Å; S87-S90 PolarHBondContact OG-OG 3.21Å
88S89.8Confident77.6Confident98 Ų9880.5 Ų80.569%0.68550%0.495SS*.THydrogen-bonded Turntrans-54-28.8168.4-550000112.2D8D8-S88 WeakPolarHBondContact OD1-CB 3.43Å; D8-S88 PolarHBondContact OD1-N 2.65Å; D8-S88 PolarHBondContact OD1-OG 3.15Å; D8-S88 PolarHBondContact OD2-OG 2.97Å
89H84.9Confident75.1Confident48 Ų4882.1 Ų82.122%0.22251%0.509CS..THydrogen-bonded Turntrans-78.1-24.4176.3-64-103.6000113.1E59 F83 S87 S91E59-H89 IonicContact OE1-CD2 3.64Å; E59-H89 IonicContact OE1-CE1 3.7Å; E59-H89 IonicContact OE1-NE2 3.98Å; E59-H89 PolarHBondContact OE1-NE2 3.28Å; F83-H89 HydrophobicContact CB-CB 4.06Å; F83-H89 HydrophobicContact CD1-CB 3.27Å; F83-H89 AromaticContact CD1-CG 3.94Å; F83-H89 HydrophobicContact CD2-CB 3.81Å; F83-H89 VanDerWaalsContact CD2-O 3.26Å; F83-H89 WeakPolarHBondContact CD2-O 3.32Å; F83-H89 HydrophobicContact CE1-CB 3.52Å; F83-H89 AromaticContact CE1-CG 3.83Å; F83-H89 AromaticContact CE1-ND1 3.72Å; F83-H89 HydrophobicContact CE2-CB 4.03Å; F83-H89 HydrophobicContact CG-CB 3.43Å; F83-H89 VanDerWaalsContact CG-CB 3.43Å; F83-H89 HydrophobicContact CZ-CB 3.9Å; S87-H89 PolarHBondContact O-N 3.44Å; H89-S91 PolarHBondContact O-N 2.63Å; H89-S91 VanDerWaalsContact O-N 3.09Å
90S81.9Confident73.3Confident33 Ų3388.1 Ų88.123%0.23155%0.548CS..SBendtrans-77.194.5172.267.10000109.2R84 G86 S87 P92R84-S90 PolarHBondContact O-OG 2.84Å; G86-S90 PolarHBondContact N-OG 2.8Å; S87-S90 PolarHBondContact N-OG 2.68Å; S87-S90 PolarHBondContact O-N 3.07Å; S87-S90 PolarHBondContact O-OG 3.41Å; S87-S90 PolarHBondContact OG-N 2.89Å; S87-S90 VanDerWaalsContact OG-N 3.15Å; S87-S90 PolarHBondContact OG-OG 3.21Å; S90-P92 WeakPolarHBondContact O-CD 3.2Å
91S69.4Low71Confident101 Ų10187.8 Ų87.871%0.70656%0.561SS**  trans-54.7128.1175-42.70000109.6H89 G93H89-S91 PolarHBondContact O-N 2.63Å; H89-S91 VanDerWaalsContact O-N 3.09Å; S91-G93 PolarHBondContact O-N 3.26Å
92P55.2Low68.5Low146 Ų14694.7 Ų94.795%0.94860%0.598SS**SBendtrans-75.643.8176.430-34.4000112.2S90S90-P92 WeakPolarHBondContact O-CD 3.2Å
93G53Low66.6Low60 Ų6097.7 Ų97.762%0.61962%0.621SS**  trans-14956.2-160.300000114.3S91S91-G93 PolarHBondContact O-N 3.26Å
94N50.3Low64.1Low131 Ų131101 Ų10170%0.70165%0.648SS**  trans-155.758145.8-157.626.1000113Q96N94-Q96 PolarHBondContact O-N 3.19Å; N94-Q96 WeakPolarHBondContact OD1-CB 3.44Å
95S48.9Very low61.9Low130 Ų130106.3 Ų106.391%0.90968%0.68SS**  trans-89.460.5151.8-70.30000108.5N97S95-N97 PolarHBondContact O-N 3.38Å
96Q49.2Very low60.2Low169 Ų169105.8 Ų105.879%0.7968%0.678SS**  trans-83.3106163.5-76.6-167.1-15.500109.2N94N94-Q96 PolarHBondContact O-N 3.19Å; N94-Q96 WeakPolarHBondContact OD1-CB 3.44Å
97N48.2Very low57.9Low137 Ų137110.7 Ų110.773%0.73368%0.684SS**  trans78.381.5138.8-156.224.3000118.2S95S95-N97 PolarHBondContact O-N 3.38Å
98S47.5Very low55.7Low121 Ų121114.2 Ų114.285%0.84672%0.722SS**SBendtrans-110.396145.5-59.30000108.9
99S47.2Very low53.7Low100 Ų100117.1 Ų117.170%0.69972%0.724SS**  trans117.6126.6151.5-48.40000116.4
100P59.9Low51.7Low126 Ų126125.2 Ų125.282%0.81875%0.753SS**  trans-86.3125.2168.434-26.3000109.2
101A49Very low49.5Very low87 Ų87132.1 Ų132.172%0.71978%0.784SS**  trans-175.2133.2154.300000112.5
102N46.4Very low48.6Very low152 Ų152132.1 Ų132.181%0.81378%0.781SS**  trans75.976.7154.1-61.6-31.3000118.3
103T57.8Low48.2Very low133 Ų133131.3 Ų131.382%0.81677%0.774SS**  trans-58.6125.4137.135.60000110.1N105T103-N105 PolarHBondContact O-N 3.04Å
104P44.8Very low47.9Very low125 Ų125137.8 Ų137.881%0.81279%0.787SS**  trans-79.3108170.931-30.1000109
105N47.4Very low47.6Very low153 Ų153140.6 Ų140.682%0.81879%0.794SS**  trans-85.4130.2170.9-152.568.6000109.6T103T103-N105 PolarHBondContact O-N 3.04Å
106P54.9Low47.1Very low102 Ų102140 Ų14066%0.66279%0.79SS**  trans-98.195.2-17135.4-29.5000111.3
107H41Very low46.9Very low165 Ų165137.4 Ų137.476%0.76479%0.79SS**  trans-176.995.1151.3-117.768.2000111.2
108G42.3Very low47.3Very low82 Ų82136.5 Ų136.585%0.84579%0.792SS**  trans-95.496.516400000109.7
109Q48.5Very low47.3Very low159 Ų159136.2 Ų136.274%0.74379%0.787SS**  trans-90.1124.4153.7-72.6-68.8-7.100108
110R42.4Very low47.3Very low218 Ų218141.8 Ų141.882%0.82379%0.794SS**  trans-35.7142164.8-97.5164.5117.8-157.60.8112.8
111M37Very low47.5Very low177 Ų177141.5 Ų141.587%0.87279%0.79SS**  -163.9141.3118.4-69.2-42.7161.900110.1
112P49.8Very low47.7Very low101 Ų101141.6 Ų141.666%0.65678%0.783SS**  trans-104.2160.1174.437.9-28.6000113.3
113V47.2Very low48.2Very low130 Ų130140 Ų14079%0.78878%0.781SS**  trans60.9126.6158.4-63.40000119
114H45Very low47.8Very low195 Ų195142.3 Ų142.390%0.90378%0.783SS**  -161.1140.5128.3-114.7-128000111.1
115F45.8Very low48Very low191 Ų191145.4 Ų145.484%0.83879%0.786SS**  trans-89.1133.6-171.7-161.8-95.9000109.1
116S38.3Very low48Very low118 Ų118146.5 Ų146.583%0.82579%0.791SS**  trans174.1136.4149.4-78.60000111.3
117S43.6Very low47.7Very low114 Ų114149.2 Ų149.280%0.79780%0.795SS**PPolyproline II helixtrans-62.9170.4-175.1-61.30000115.6
118P57.7Low48Very low118 Ų118152.1 Ų152.177%0.76680%0.799SS**PPolyproline II helixtrans-99.1160.6-14639-34.7000114.7
119P47.3Very low47.6Very low115 Ų115152.1 Ų152.175%0.74779%0.786SS**PPolyproline II helixtrans-99.2120.8152.232.1-24.1000110.5T121P119-T121 PolarHBondContact O-N 3.36Å; P119-T121 PolarHBondContact O-OG1 3.17Å
120Y48.1Very low47.1Very low216 Ų216153.2 Ų153.285%0.84779%0.789SS**PPolyproline II helixtrans-52.7121.8169.6-163.7-94.6000110.2
121T62.3Low47.4Very low120 Ų120148.5 Ų148.574%0.73679%0.789SS**  trans-125.5125.2168.5-6.40000107.5P119P119-T121 PolarHBondContact O-N 3.36Å; P119-T121 PolarHBondContact O-OG1 3.17Å
122P53.2Low47.4Very low89 Ų89145.5 Ų145.558%0.57879%0.786SS**PPolyproline II helixtrans-66.4143.8-174.527.5-33.2000110.5H124P122-H124 PolarHBondContact O-N 2.96Å
123P56.8Low47.5Very low119 Ų119146.5 Ų146.577%0.77379%0.792SS**PPolyproline II helixtrans-64.4124.3174.125.4-31.6000109.9Q125P123-Q125 PolarHBondContact O-N 3.28Å
124H49.8Very low47.7Very low182 Ų182146.5 Ų146.584%0.84379%0.788SS**PPolyproline II helixtrans-58.9123.9165.9-69.4-93.2000108.6P122 L126P122-H124 PolarHBondContact O-N 2.96Å; H124-L126 PolarHBondContact O-N 3.22Å; H124-L126 VanDerWaalsContact O-N 3.08Å
125Q50.5Low48.4Very low190 Ų190142.8 Ų142.889%0.88877%0.774SS**  trans-61.2111.8170.8-66.1-153-6.800109P123 Q127P123-Q125 PolarHBondContact O-N 3.28Å; Q125-Q127 PolarHBondContact O-N 3.47Å; Q125-Q127 VanDerWaalsContact O-N 3.07Å
126L46.9Very low49.1Very low176 Ų176139.9 Ų139.992%0.92177%0.767SS**  trans-76.2100.6163.5-156.774.1000107.7H124 R128H124-L126 PolarHBondContact O-N 3.22Å; H124-L126 VanDerWaalsContact O-N 3.08Å; L126-R128 PolarHBondContact O-N 3.35Å; L126-R128 VanDerWaalsContact O-N 3.15Å
127Q48.2Very low50.2Low158 Ų158137.7 Ų137.774%0.73875%0.75SS**  trans-45.4110.5173.2-161179.5-4600110.6Q125 S129Q125-Q127 PolarHBondContact O-N 3.47Å; Q125-Q127 VanDerWaalsContact O-N 3.07Å; Q127-S129 WeakPolarHBondContact CG-OG 3.08Å; Q127-S129 PolarHBondContact NE2-OG 3.17Å; Q127-S129 PolarHBondContact O-N 2.99Å
128R47.2Very low50.9Low226 Ų226139.5 Ų139.585%0.85374%0.743SS**  trans-52.7110.6153.8-78.2174.8167.7-101.70.8106.9L126L126-R128 PolarHBondContact O-N 3.35Å; L126-R128 VanDerWaalsContact O-N 3.15Å
129S34Very low51Low82 Ų82139.4 Ų139.457%0.57373%0.733SS**  trans-129.5120.7168.8-55.30000109.2Q127Q127-S129 WeakPolarHBondContact CG-OG 3.08Å; Q127-S129 PolarHBondContact NE2-OG 3.17Å; Q127-S129 PolarHBondContact O-N 2.99Å
130F38.8Very low51.8Low183 Ų183137.9 Ų137.980%0.80372%0.721SS**  trans-63.2159.7175.6-68.9-104.9000111.2
131S47.6Very low52.8Low118 Ų118134 Ų13483%0.82571%0.713SS**  trans-6.3139.3171.5-500000120.1
132S38.5Very low53Low115 Ų115136 Ų13680%0.80471%0.707SS**  trans-141.8146.1152.5-93.40000114.4
133P51.6Low53.8Low121 Ų121137.1 Ų137.179%0.78671%0.707SS**  trans-106.151.3-160.239.7-27.6000113.9
134D51.4Low54.6Low130 Ų130135.2 Ų135.270%0.69569%0.691SS**  trans-115.322.1-165.3-129.4-73.6000116.8
135N59Low55.6Low117 Ų117133.7 Ų133.763%0.62669%0.686SS**  trans-98.76.3179.4-85.1-39.6000115.3H139N135-H139 PolarHBondContact O-N 2.98Å
136L60.7Low56.6Low131 Ų131134 Ų13469%0.68668%0.679SS**Hα-helixtrans-62.8-41.8-177.9-134.772.8000114K138 H139 V140L136-K138 PolarHBondContact O-N 3.46Å; L136-H139 PolarHBondContact O-N 2.85Å; L136-V140 HydrophobicContact CG-CG2 4.4Å; L136-V140 WeakPolarHBondContact O-CB 3.37Å; L136-V140 VanDerWaalsContact O-CG2 3.25Å; L136-V140 WeakPolarHBondContact O-CG2 3.37Å; L136-V140 PolarHBondContact O-N 2.8Å
137P61Low57.9Low72 Ų72131 Ų13147%0.46866%0.661SS.*Hα-helixtrans-63.9-41-175.4-23.934.2000113.3H139 M141P137-H139 VanDerWaalsContact C-N 3.33Å; P137-H139 PolarHBondContact O-N 3.39Å; P137-M141 WeakPolarHBondContact O-CG 3.34Å; P137-M141 PolarHBondContact O-N 2.96Å
138K57.9Low58.8Low151 Ų151129.4 Ų129.466%0.65765%0.653SS**Hα-helixtrans-68.5-33.5178.8-67.4177-177.5169.10112.1L136 R142L136-K138 PolarHBondContact O-N 3.46Å; K138-R142 PolarHBondContact O-N 3.04Å
139H60.4Low59.8Low116 Ų116124.8 Ų124.854%0.53764%0.641SS.*Hα-helixtrans-77.1-40.1179.4-132.5-91.9000111.7N135 L136 P137 R142 N143N135-H139 PolarHBondContact O-N 2.98Å; L136-H139 PolarHBondContact O-N 2.85Å; P137-H139 VanDerWaalsContact C-N 3.33Å; P137-H139 PolarHBondContact O-N 3.39Å; H139-R142 PolarHBondContact O-N 3.33Å; H139-N143 WeakPolarHBondContact O-CB 3.33Å; H139-N143 PolarHBondContact O-N 3.28Å
140V64.5Low61.4Low84 Ų84125.8 Ų125.851%0.50964%0.636SS.*Hα-helixtrans-64.8-43.6176.3172.50000110.8L136 R142 N143 N144L136-V140 HydrophobicContact CG-CG2 4.4Å; L136-V140 WeakPolarHBondContact O-CB 3.37Å; L136-V140 VanDerWaalsContact O-CG2 3.25Å; L136-V140 WeakPolarHBondContact O-CG2 3.37Å; L136-V140 PolarHBondContact O-N 2.8Å; V140-R142 VanDerWaalsContact C-N 3.35Å; V140-R142 PolarHBondContact O-N 2.87Å; V140-N143 PolarHBondContact O-N 2.87Å; V140-N144 VanDerWaalsContact O-CB 3.31Å; V140-N144 WeakPolarHBondContact O-CB 3.36Å; V140-N144 PolarHBondContact O-N 3.48Å
141M68.9Low62.3Low135 Ų135122.9 Ų122.967%0.66563%0.627SS**Hα-helixtrans-63.5-38.8177.3-74.1164.717500112.5P137 N144 M145P137-M141 WeakPolarHBondContact O-CG 3.34Å; P137-M141 PolarHBondContact O-N 2.96Å; M141-N144 PolarHBondContact O-N 3.14Å; M141-M145 WeakPolarHBondContact O-CB 3.39Å; M141-M145 PolarHBondContact O-N 3Å
142R66.3Low63Low162 Ų162124.1 Ų124.161%0.61162%0.619SS**Hα-helixtrans-65.3-42.1175.4-170.4-173.5-57.3176.41.6112.2K138 H139 V140 W146K138-R142 PolarHBondContact O-N 3.04Å; H139-R142 PolarHBondContact O-N 3.33Å; V140-R142 VanDerWaalsContact C-N 3.35Å; V140-R142 PolarHBondContact O-N 2.87Å; R142-W146 PolarHBondContact O-N 3.46Å
143N69.1Low64.1Low111 Ų111124.4 Ų124.459%0.59461%0.608SS**Hα-helixtrans-69.2-38.6179.8-143.854.2000111.4H139 V140 W146 Q147H139-N143 WeakPolarHBondContact O-CB 3.33Å; H139-N143 PolarHBondContact O-N 3.28Å; V140-N143 PolarHBondContact O-N 2.87Å; N143-W146 PolarHBondContact O-N 3.22Å; N143-Q147 WeakPolarHBondContact O-CB 3.4Å; N143-Q147 PolarHBondContact O-N 3.42Å
144N73.7Confident64.4Low80 Ų80123.4 Ų123.443%0.42860%0.595SS.*Hα-helixtrans-69.2-36.2178.6-145.256.9000112.1V140 M141 Q147 Q148V140-N144 VanDerWaalsContact O-CB 3.31Å; V140-N144 WeakPolarHBondContact O-CB 3.36Å; V140-N144 PolarHBondContact O-N 3.48Å; M141-N144 PolarHBondContact O-N 3.14Å; N144-Q147 PolarHBondContact O-N 2.62Å; N144-Q148 WeakPolarHBondContact O-CG 3.45Å; N144-Q148 PolarHBondContact O-N 3.23Å
145M71.9Confident64.6Low150 Ų150125.1 Ų125.174%0.73960%0.599SS**Hα-helixtrans-68.8-37.8176.7-141.1167.1176.400111.9M141 H149M141-M145 WeakPolarHBondContact O-CB 3.39Å; M141-M145 PolarHBondContact O-N 3Å; M145-H149 WeakPolarHBondContact O-CB 3.5Å; M145-H149 PolarHBondContact O-N 3.12Å; M145-H149 VanDerWaalsContact O-N 3.07Å
146W71.4Confident64.6Low196 Ų196126.8 Ų126.874%0.74260%0.603SS**Hα-helixtrans-64.1-40.7172.1-118.692.6000111.9R142 N143 H150R142-W146 PolarHBondContact O-N 3.46Å; N143-W146 PolarHBondContact O-N 3.22Å; W146-H150 WeakPolarHBondContact O-CB 3.5Å; W146-H150 PolarHBondContact O-N 3.49Å
147Q73.2Confident64.1Low114 Ų114127.3 Ų127.353%0.53361%0.606SS.*Hα-helixtrans-71.4-35.8-179.8-160.4162.85100112.5N143 N144 M151N143-Q147 WeakPolarHBondContact O-CB 3.4Å; N143-Q147 PolarHBondContact O-N 3.42Å; N144-Q147 PolarHBondContact O-N 2.62Å; Q147-M151 PolarHBondContact O-N 2.73Å; Q147-M151 VanDerWaalsContact O-N 3.08Å
148Q68.3Low63.5Low123 Ų123131 Ų13158%0.57562%0.622SS**Hα-helixtrans-70-42.4174.4-73.6-163.53.500112.8N144 H150 M151 Q152N144-Q148 WeakPolarHBondContact O-CG 3.45Å; N144-Q148 PolarHBondContact O-N 3.23Å; Q148-H150 VanDerWaalsContact C-N 3.27Å; Q148-H150 PolarHBondContact O-N 3.32Å; Q148-M151 PolarHBondContact O-N 3.42Å; Q148-Q152 PolarHBondContact O-N 3.35Å
149H68.3Low63.2Low129 Ų129127.2 Ų127.260%0.59763%0.625SS**Hα-helixtrans-64-35.7176-172.7-97.3000111.8M145M145-H149 WeakPolarHBondContact O-CB 3.5Å; M145-H149 PolarHBondContact O-N 3.12Å; M145-H149 VanDerWaalsContact O-N 3.07Å
150H67.6Low62.5Low103 Ų103126.2 Ų126.248%0.47764%0.637SS.*Hα-helixtrans-67.6-39.6175.9-174.173.7000112.8W146 Q148 Q153W146-H150 WeakPolarHBondContact O-CB 3.5Å; W146-H150 PolarHBondContact O-N 3.49Å; Q148-H150 VanDerWaalsContact C-N 3.27Å; Q148-H150 PolarHBondContact O-N 3.32Å; H150-Q153 PolarHBondContact O-N 3.15Å
151M57.2Low61.3Low123 Ų123131.7 Ų131.761%0.60665%0.654SS**Hα-helixtrans-71.6-33.5176.5-85.4-161.2-57.800113.6Q147 Q148 Q153 L154Q147-M151 PolarHBondContact O-N 2.73Å; Q147-M151 VanDerWaalsContact O-N 3.08Å; Q148-M151 PolarHBondContact O-N 3.42Å; M151-Q153 PolarHBondContact O-N 3.5Å; M151-L154 PolarHBondContact O-N 2.86Å; M151-L154 VanDerWaalsContact O-N 3.12Å
152Q63Low60.1Low143 Ų143130.7 Ų130.767%0.66866%0.661SS**Hα-helixtrans-68.4-19.2178.4-168.5158.472.800113.2Q148 Q156Q148-Q152 PolarHBondContact O-N 3.35Å; Q152-Q156 PolarHBondContact O-NE2 3.33Å
153Q61.2Low58.9Low122 Ų122132 Ų13257%0.5767%0.671SS**Hα-helixtrans-80.9-24.4174.1-164.3167.386.500112.7H150 M151H150-Q153 PolarHBondContact O-N 3.15Å; M151-Q153 PolarHBondContact O-N 3.5Å
154L56.6Low57.3Low100 Ų100131.5 Ų131.552%0.52468%0.676SS.*Hα-helixtrans-82.5-15179.8-74.4162.1000113.7M151M151-L154 PolarHBondContact O-N 2.86Å; M151-L154 VanDerWaalsContact O-N 3.12Å
155E57.2Low55.5Low165 Ų165137.8 Ų137.877%0.77170%0.7SS**SBendtrans-83.1-16.5177.5-159.1152.1123.400113.3
156Q57.5Low54.2Low152 Ų152138.4 Ų138.471%0.7170%0.701SS**THydrogen-bonded Turntrans-86.4-7.9-179-65.7172.47400113.3Q152Q152-Q156 PolarHBondContact O-NE2 3.33Å
157L50.4Low52.4Low143 Ų143139.6 Ų139.675%0.74971%0.706SS**THydrogen-bonded Turntrans-104.7-0.9-178.5-68.8173.8000114.5
158N49.4Very low50.5Low150 Ų150142.1 Ų142.180%0.80272%0.717SS**SBendtrans-105.33.9176.3-92-27.8000114.7
159G51.2Low48.8Very low70 Ų70140.4 Ų140.472%0.72272%0.719SS**SBendtrans-89-2.3-176.200000116.6
160A45.7Very low47.6Very low96 Ų96140.2 Ų140.279%0.79373%0.729SS**SBendtrans-127.245-167.400000114.1
161F38.9Very low45.9Very low198 Ų198140.3 Ų140.387%0.86875%0.748SS**  trans-158.473.2159.6-151.6-99.8000112.9
162S44.6Very low45Very low114 Ų114141.2 Ų141.280%0.79776%0.76SS**  trans-141.975.7163.646.60000110.6
163K40.3Very low43.7Very low189 Ų189137.8 Ų137.882%0.82276%0.763SS**  trans-134.9114.3151.5-78.5-167.4179175.90111.3
164S36.7Very low42.4Very low101 Ų101139.3 Ų139.371%0.70678%0.775SS**  trans56.2104.6140.360.40000117.6
165F35.8Very low41.3Very low212 Ų212139.6 Ų139.693%0.9379%0.786SS**  trans-138.3107138.7-105.8-84.1000111.1R167F165-R167 PolarHBondContact O-N 2.79Å
166Q43.4Very low40.2Very low163 Ų163135 Ų13576%0.76278%0.782SS**  trans-36.2121.2162.3-166.898.8-1900111.8
167R33.3Very low39.1Very low222 Ų222139.7 Ų139.784%0.83879%0.793SS**  trans-106.697.4170.7-151.3176.7-175.9-85.21.6108.6F165F165-R167 PolarHBondContact O-N 2.79Å
168Q34.9Very low38.3Very low167 Ų167142.1 Ų142.178%0.7880%0.801SS**  trans-88.2142.7160.2-81.1177.53.500108.6
169S32.2Very low37.6Very low86 Ų86143.8 Ų143.860%0.60180%0.804SS**  trans-130.3140.3166.9-60.90000108.5
170P41.8Very low36.9Very low125 Ų125147.1 Ų147.181%0.81280%0.804SS**PPolyproline II helixtrans-83.3150.7-165.233.5-36.6000113.1
171A33Very low36.3Very low106 Ų106153 Ų15388%0.87681%0.806SS**PPolyproline II helixtrans-74.2128.9173.500000111
172V38.1Very low36.3Very low142 Ų142150.2 Ų150.286%0.86180%0.796SS**PPolyproline II helixtrans-82.6122.6165.8171.50000107.5
173G34.9Very low35.9Very low71 Ų71151.9 Ų151.973%0.73279%0.791SS**PPolyproline II helixtrans-70.7136.3173.700000111.2
174N34Very low35.6Very low153 Ų153150.1 Ų150.182%0.81879%0.79SS**  trans-140.9143.1155.6-156.315.7000111.9
175S33.8Very low35.5Very low107 Ų107148 Ų14875%0.74879%0.785SS**  trans-56.5159.117757.10000116.6
176G33.9Very low35.6Very low68 Ų68144 Ų14470%0.70177%0.774SS**  trans131.493.2162.800000112
177R35.8Very low35.4Very low250 Ų250143.7 Ų143.794%0.94377%0.772SS**  65.590.483.2-159.9179.2-172.8174.82.1111.9
178E33.5Very low35.4Very low194 Ų194142 Ų14291%0.90777%0.767SS**  trans-87.5124.5171.2-63.6176.6147.300109.8
179E34.6Very low35.3Very low185 Ų185143.4 Ų143.486%0.86477%0.765SS**  trans-153.6124.2152.6-155.3175.6121.800111.9
180L36.5Very low35.6Very low140 Ų140145.9 Ų145.973%0.73377%0.766SS**  trans-8.6128.6161.3-124.880.8000120.4
181R32.8Very low35.5Very low221 Ų221146.7 Ų146.783%0.83476%0.764SS**  160.6111.6123.6-94.1176152.2171.5-6.1109.2
182Q38.2Very low35.5Very low138 Ų138152.3 Ų152.365%0.64576%0.762SS**  65.3119.989.6-86161.353.600115
183Q35.5Very low35.4Very low150 Ų150149.5 Ų149.570%0.70175%0.749SS**  trans99.2126.8137.7-7717265.900119.3
184D33.9Very low35.8Very low151 Ų151154.4 Ų154.481%0.80775%0.753SS**  trans65138.2152.5-50.8-40.9000117.3
185G35.8Very low35.7Very low58 Ų58155.5 Ų155.560%0.59876%0.756SS**  cis152.1127.216.100000105.4
186D37.6Very low35.7Very low128 Ų128157.4 Ų157.468%0.68476%0.757SS**  trans53.2127.2155.4-58-63.1000121.6
187H40.2Very low35.8Very low156 Ų156158.8 Ų158.872%0.72276%0.756SS**  161.1120102.7-82-76.5000111
188Y32.9Very low35.8Very low187 Ų187150.8 Ų150.873%0.73375%0.751SS**  trans10.5150.7142.1-50.4-86.5000118.4
189R32.4Very low35.8Very low195 Ų195145.2 Ų145.274%0.73675%0.746SS**  cis172.2158.213.2-122.4173.6140.1178.4-8.8106.3
190H38.3Very low35.7Very low138 Ų138147.9 Ų147.964%0.63975%0.748SS**  trans60.9118.9149.9-66.9-61.6000119.4
191D38.8Very low35.9Very low142 Ų142145.4 Ų145.476%0.75974%0.743SS**  56.5106.377.5-160.1-78.3000113.6
192R33.2Very low36.1Very low224 Ų224144.3 Ų144.385%0.84575%0.747SS**  -177.7131128.5-124.4-173.5169.7173.8-4.6114.9
193S36.7Very low36.2Very low83 Ų83148.7 Ų148.758%0.5876%0.758SS**  trans46.4127130.965.60000122.9
194Q42.5Very low35.9Very low175 Ų175148.7 Ų148.782%0.81876%0.757SS**  33.9122.6127.2-63.1-177.920.600118.6
195M33.3Very low35.9Very low176 Ų176153.1 Ų153.187%0.86776%0.763SS**  167.7135.3109-92.9-178.4156.100112.8
196N32.3Very low35.9Very low147 Ų147155.8 Ų155.879%0.78676%0.763SS**  trans84135130.5-158.634.3000122.6
197S36.8Very low35.7Very low97 Ų97157.2 Ų157.268%0.67877%0.766SS**  trans92.6126.5138.364.80000122
198G35Very low35.7Very low81 Ų81157.7 Ų157.784%0.83577%0.768SS**  trans82.5112148.100000114.6
199G33.8Very low35.7Very low78 Ų78151.9 Ų151.980%0.80477%0.765SS**  cis88.992.735.800000110.5
200R33.3Very low36.1Very low241 Ų241148.8 Ų148.891%0.90977%0.774SS**  trans-179.2136.1139.7-120.8-176.2164.1162.3-5.4115.6
201S39.6Very low35.9Very low88 Ų88146.2 Ų146.262%0.61578%0.784SS**  trans85.789136.8-68.40000120.6
202Q38.8Very low35.8Very low197 Ų197151.3 Ų151.392%0.92179%0.793SS**  trans-61.8143.2134.4-72.7169.6-21.100110
203R39.2Very low36.1Very low230 Ų230149.8 Ų149.887%0.86880%0.795SS**  trans-112.1119.8169.4-68.9-173.5-170.4-176.83.1109.6
204H30.4Very low36.3Very low150 Ų150153 Ų15369%0.69480%0.8SS**  trans-84.8148.3169.6-171.8-144.7000109D206H204-D206 IonicContact CE1-OD1 3.16Å; H204-D206 PolarHBondContact CE1-OD1 3.4Å; H204-D206 VanDerWaalsContact CE1-OD1 3.25Å; H204-D206 IonicContact CE1-OD2 2.76Å; H204-D206 PolarHBondContact CE1-OD2 3.31Å; H204-D206 IonicContact CG-OD2 3.08Å; H204-D206 IonicContact ND1-OD1 2.79Å; H204-D206 IonicContact ND1-OD2 3.26Å; H204-D206 PolarHBondContact ND1-OD2 2.76Å
205W32.3Very low36Very low244 Ų244151.6 Ų151.692%0.92479%0.794SS**  trans-114.2115.5171.3-72.7100.8000108.5
206D36.6Very low36Very low114 Ų114150.8 Ų150.861%0.6179%0.788SS**  trans-111127.3169.9-71.4-69000109H204H204-D206 IonicContact CE1-OD1 3.16Å; H204-D206 PolarHBondContact CE1-OD1 3.4Å; H204-D206 VanDerWaalsContact CE1-OD1 3.25Å; H204-D206 IonicContact CE1-OD2 2.76Å; H204-D206 PolarHBondContact CE1-OD2 3.31Å; H204-D206 IonicContact CG-OD2 3.08Å; H204-D206 IonicContact ND1-OD1 2.79Å; H204-D206 IonicContact ND1-OD2 3.26Å; H204-D206 PolarHBondContact ND1-OD2 2.76Å
207E33.3Very low36.3Very low158 Ų158149.1 Ų149.174%0.73879%0.788SS**  31.9151.6123.6-84169.832.300121.1
208H40.1Very low36.5Very low166 Ų166152.6 Ų152.677%0.76979%0.793SS**  cis-17016614.9-108.8-53.5000108.9
209G33.1Very low36.5Very low65 Ų65154.1 Ų154.167%0.6779%0.791SS**  trans134.793138.900000122
210S41.3Very low36.6Very low131 Ų131161.5 Ų161.592%0.91679%0.794SS**  trans47.7132.5133.467.40000125.1
211G33.8Very low36.7Very low83 Ų83158.1 Ų158.186%0.85679%0.789SS**  trans170124.4151.700000116.2
212R35.9Very low36.3Very low249 Ų249159.2 Ų159.294%0.9479%0.788SS**  trans-78.4152.8-174.1-68.2169.7167.3168-5.4115.4
213H40.5Very low36.2Very low192 Ų192160.7 Ų160.789%0.88979%0.787SS**  -168.7155.8125.5-137.6115.5000112.8
214Q40Very low36.3Very low150 Ų150156.5 Ų156.570%0.70178%0.777SS**  trans-106.6161.1-167.2-115.416934.800114.1
215Q36.3Very low36.9Very low147 Ų147158.5 Ų158.569%0.68779%0.786SS**  trans73.8122147.9-66179.762.700121.1
216H34.3Very low37.1Very low158 Ų158154.2 Ų154.273%0.73178%0.776SS**  -177.7146.2109-86.8164.7000113.6
217S37Very low37.1Very low112 Ų112155 Ų15578%0.78378%0.78SS**  trans-108.6137.9-178.7-22.90000109.1
218H41.6Very low37.7Very low171 Ų171155.1 Ų155.179%0.79279%0.786SS**  trans-141.1111.5165.3-42.8-69.6000111.4
219S35Very low37.5Very low113 Ų113158.3 Ų158.379%0.7979%0.791SS**  trans-85.2151.8159.2-57.40000110.3
220R35.9Very low37.7Very low233 Ų233160.9 Ų160.988%0.87980%0.799SS**  trans164.6111.3142-91.5167.7-174-159.92.7108.6
221E35.1Very low37.8Very low169 Ų169160.5 Ų160.579%0.7980%0.797SS**  70.8114.482.6-93.5174.9123.100116.5
222N32.4Very low38.2Very low111 Ų111160 Ų16059%0.59479%0.791SS**  70.1108.5120.9-137.626.6000120.6
223Y37Very low38.6Very low229 Ų229155.3 Ų155.390%0.89879%0.785SS**  trans-140.5117.3143.8-78.7-74.9000110.9
224H40.1Very low38.7Very low142 Ų142157.8 Ų157.866%0.65779%0.786SS**  trans-77.9143.5163.2-79.4-103.3000110.1
225H42.9Very low39Very low191 Ų191158.3 Ų158.388%0.88479%0.788SS**  trans-144.8127.1144.7-96.3-69.4000110.6
226Q37.9Very low39.5Very low154 Ų154160.3 Ų160.372%0.7280%0.797SS**  trans-89.6155176-78.8177.7-2.300111.3
227N36.4Very low39.8Very low131 Ų131158.8 Ų158.870%0.70179%0.794SS**  trans56.8125.3148.2-60.3-20.4000119
228D44.9Very low40Very low161 Ų161158.3 Ų158.386%0.86179%0.791SS**  -166.9157.799.8-102.4-51.4000113.7
229R36.9Very low39.8Very low232 Ų232161.9 Ų161.988%0.87580%0.798SS**  trans-82.4157.9-169.5-62.7167.5170.4163.8-3.6112.1
230S36.3Very low40Very low119 Ų119160.6 Ų160.683%0.83280%0.803SS**  114.8128.3128.7-144.60000118.5
231S44Very low40.2Very low124 Ų124153.1 Ų153.187%0.86780%0.798SS**  trans80121.3145-155.20000119.8
232G41.3Very low40.5Very low72 Ų72153.7 Ų153.774%0.74281%0.807SS**  trans164.867.8161.600000115.5R234G232-R234 PolarHBondContact O-N 3.36Å
233N43.9Very low41Very low151 Ų151151.2 Ų151.281%0.80781%0.808SS**  trans-47.8133.5158.9-101.234.7000110.7
234R42.6Very low41.1Very low243 Ų243149.9 Ų149.992%0.91780%0.801SS**  trans-161.9111.1143.4-110.7175.9-89.5-173.6-3.2111.3G232G232-R234 PolarHBondContact O-N 3.36Å
235H48.1Very low41.7Very low162 Ų162151 Ų15175%0.7581%0.812SS**  trans-60144162.3-84.5-151.1000110.9
236H46.2Very low41.5Very low189 Ų189148.3 Ų148.388%0.87580%0.8SS**  trans-158.6137.4140.9-126.4-84.6000111.2
237D40.8Very low41.6Very low125 Ų125153.5 Ų153.567%0.66881%0.813SS**  trans-81.7150.5-170.3-58.2-77.6000115
238S39.8Very low41.8Very low103 Ų103152 Ų15272%0.7282%0.819SS**  trans53.1114.8139-57.80000120.5
239R38.4Very low41.5Very low245 Ų245147.2 Ų147.293%0.92581%0.807SS**  164.5128109.7-90.2171.2178.1-177.30112.2
240G39Very low42Very low87 Ų87142.8 Ų142.890%0.89780%0.801SS**  trans74.9104.3140.500000118.2
241G40.5Very low42.4Very low76 Ų76149 Ų14978%0.78481%0.806SS**  trans173.874166.800000111.6G243G241-G243 VanDerWaalsContact C-N 3.34Å; G241-G243 PolarHBondContact O-N 3.26Å
242N40.8Very low42.3Very low180 Ų180145.2 Ų145.296%0.96379%0.787SS**  trans-75.787.8177.2-148.128.4000108.8
243G43.5Very low42.7Very low60 Ų60148.4 Ų148.462%0.61979%0.786SS**  trans-124.2106.416800000108.7G241G241-G243 VanDerWaalsContact C-N 3.34Å; G241-G243 PolarHBondContact O-N 3.26Å
244R39.4Very low42.6Very low200 Ų200150.3 Ų150.376%0.75579%0.787SS**  trans-149.495.7156.7-75.8-153.9-175.3-174.8-2110.5E246R244-E246 VanDerWaalsContact C-N 3.34Å; R244-E246 HydrophobicContact CB-CG 4.5Å; R244-E246 WeakPolarHBondContact CD-OE2 3.36Å; R244-E246 IonicContact CZ-OE2 3.86Å; R244-E246 IonicContact NE-OE2 2.73Å; R244-E246 IonicContact NH1-OE1 3.92Å; R244-E246 IonicContact NH1-OE2 3.9Å; R244-E246 PolarHBondContact NH1-OE2 3.45Å; R244-E246 VanDerWaalsContact NH1-OE2 3.08Å; R244-E246 PolarHBondContact O-N 3.5Å; R244-E246 VanDerWaalsContact O-N 3.15Å
245D51.3Low42.7Very low166 Ų166146.6 Ų146.689%0.88878%0.781SS**  trans-57.197.7143.4-54.9-78.3000108.4
246E39.6Very low42.5Very low135 Ų135143.5 Ų143.563%0.63176%0.763SS**  trans-124.4102.7166.5-87.8-179120.800109.1R244 A248R244-E246 VanDerWaalsContact C-N 3.34Å; R244-E246 HydrophobicContact CB-CG 4.5Å; R244-E246 WeakPolarHBondContact CD-OE2 3.36Å; R244-E246 IonicContact CZ-OE2 3.86Å; R244-E246 IonicContact NE-OE2 2.73Å; R244-E246 IonicContact NH1-OE1 3.92Å; R244-E246 IonicContact NH1-OE2 3.9Å; R244-E246 PolarHBondContact NH1-OE2 3.45Å; R244-E246 VanDerWaalsContact NH1-OE2 3.08Å; R244-E246 PolarHBondContact O-N 3.5Å; R244-E246 VanDerWaalsContact O-N 3.15Å; E246-A248 PolarHBondContact O-N 3.46Å
247W39.6Very low42.6Very low263 Ų263138.1 Ų138.1100%0.99675%0.751SS**  trans-44.699.5161-9545000110.9G249W247-G249 VanDerWaalsContact C-N 3.32Å; W247-G249 PolarHBondContact O-N 2.81Å
248A41.4Very low42.6Very low100 Ų100138.6 Ų138.683%0.82675%0.749SS**  trans-79.985.2167.300000109.5E246E246-A248 PolarHBondContact O-N 3.46Å
249G38.2Very low43.3Very low60 Ų60138.9 Ų138.962%0.61974%0.735SS**  trans-60.4144.3159.300000111.6W247W247-G249 VanDerWaalsContact C-N 3.32Å; W247-G249 PolarHBondContact O-N 2.81Å
250N47.4Very low43.8Very low138 Ų138129.4 Ų129.474%0.73870%0.699SS**  trans73.251.6140.3-138.919.9000119.3
251R45.2Very low44.2Very low249 Ų249135.2 Ų135.294%0.9469%0.694SS**SBendtrans-128.928.3163.2-83.5-162.7-78.1177.1-5.5115.6
252G40.9Very low44.4Very low46 Ų46142.6 Ų142.647%0.47470%0.698SS.*SBendtrans-114.4-7.6176.300000116K254 Y256G252-K254 PolarHBondContact O-N 2.96Å; G252-Y256 VanDerWaalsContact O-CD2 3.25Å; G252-Y256 WeakPolarHBondContact O-CD2 3.25Å; G252-Y256 WeakPolarHBondContact O-CE2 2.98Å
253L49.3Very low44.7Very low138 Ų138142.5 Ų142.572%0.72369%0.685SS**THydrogen-bonded Turntrans-85.6-8.3-163-125.8102.6000116
254K42.9Very low44.7Very low191 Ų191146.6 Ų146.683%0.8369%0.688SS**THydrogen-bonded Turntrans-84.7-24-175.2-68.3-169.9176.3-175.20114G252G252-K254 PolarHBondContact O-N 2.96Å
255E43.8Very low45Very low166 Ų166143.8 Ų143.878%0.77669%0.685SS**G310 helixtrans-83.3-20.7-176.8-147.1-179.4151.600113.2A257E255-A257 VanDerWaalsContact C-N 3.35Å; E255-A257 PolarHBondContact O-N 3.15Å
256Y44Very low44.7Very low96 Ų96142.6 Ų142.638%0.37667%0.674SS.*G310 helixtrans-81.6-12179.6-65.2-81.2000114.2G252 H258G252-Y256 VanDerWaalsContact O-CD2 3.25Å; G252-Y256 WeakPolarHBondContact O-CD2 3.25Å; G252-Y256 WeakPolarHBondContact O-CE2 2.98Å; Y256-H258 VanDerWaalsContact C-N 3.3Å; Y256-H258 PolarHBondContact O-N 3.05Å
257A49.6Very low45Very low76 Ų76143 Ų14363%0.62868%0.676SS**G310 helixtrans-70.8-24.7-178.500000112.9E255E255-A257 VanDerWaalsContact C-N 3.35Å; E255-A257 PolarHBondContact O-N 3.15Å
258H40.8Very low45.3Very low135 Ų135135.5 Ų135.563%0.62566%0.656SS**G310 helixtrans-87.4-11.5-179-66.7-74.2000114.1Y256 W260Y256-H258 VanDerWaalsContact C-N 3.3Å; Y256-H258 PolarHBondContact O-N 3.05Å; H258-W260 PolarHBondContact O-N 3.01Å
259R53.7Low45.6Very low110 Ų110137.9 Ų137.942%0.41565%0.645SS.*THydrogen-bonded Turntrans-80.5-10.6-170.3-167.3172.6-73.2-166.3-4.5114.6E6E6-R259 IonicContact OE2-NH1 3.49Å; E6-R259 PolarHBondContact OE2-NH1 3.08Å
260W48.9Very low46.1Very low45 Ų45143.4 Ų143.417%0.1765%0.647CS.*THydrogen-bonded Turntrans-106.83.9-173.5-61.1106.2000114.9F53 H258 R262 Y263F53-W260 HydrophobicContact CB-CH2 4.45Å; F53-W260 HydrophobicContact CD1-CH2 4.29Å; F53-W260 HydrophobicContact CD1-CZ3 4.33Å; F53-W260 HydrophobicContact CD2-CE3 4.34Å; F53-W260 AromaticContact CD2-CH2 3.95Å; F53-W260 HydrophobicContact CD2-CH2 3.95Å; F53-W260 AromaticContact CD2-CZ3 3.8Å; F53-W260 HydrophobicContact CD2-CZ3 3.8Å; F53-W260 HydrophobicContact CE1-CZ3 4.17Å; F53-W260 AromaticContact CE2-CE3 3.99Å; F53-W260 HydrophobicContact CE2-CE3 3.99Å; F53-W260 HydrophobicContact CE2-CH2 4.24Å; F53-W260 AromaticContact CE2-CZ3 3.61Å; F53-W260 HydrophobicContact CE2-CZ3 3.61Å; F53-W260 AromaticContact CG-CH2 3.97Å; F53-W260 HydrophobicContact CG-CH2 3.97Å; F53-W260 HydrophobicContact CG-CZ3 4.15Å; F53-W260 HydrophobicContact CZ-CE3 4.46Å; F53-W260 AromaticContact CZ-CZ3 3.82Å; F53-W260 HydrophobicContact CZ-CZ3 3.82Å; H258-W260 PolarHBondContact O-N 3.01Å; W260-R262 PolarHBondContact O-N 3.45Å; W260-R262 VanDerWaalsContact O-N 3.12Å; W260-Y263 HydrophobicContact CE3-CD2 4.23Å; W260-Y263 HydrophobicContact CE3-CE2 4.35Å; W260-Y263 HydrophobicContact CZ3-CE2 4.4Å
261R47Very low46Very low210 Ų210143.8 Ų143.879%0.79264%0.64SS**THydrogen-bonded Turntrans-76.49.7-178.3-151.8-169.6-79-178.1-6.1114.2
262R46.1Very low46Very low230 Ų230135.1 Ų135.187%0.86862%0.615SS**THydrogen-bonded Turntrans-12125.4-174.8-75.5-110.4-82.1-175.6-5.6113.6W260W260-R262 PolarHBondContact O-N 3.45Å; W260-R262 VanDerWaalsContact O-N 3.12Å
263Y45.5Very low46.5Very low178 Ų178143.2 Ų143.270%0.69863%0.627SS**  trans-138.40172-61.1-78.5000111.6R84 W260R84-Y263 PolarHBondContact NH2-OH 3.27Å; W260-Y263 HydrophobicContact CE3-CD2 4.23Å; W260-Y263 HydrophobicContact CE3-CE2 4.35Å; W260-Y263 HydrophobicContact CZ3-CE2 4.4Å

Retrieved 263 of 263 residues in 78 ms (Link to these results)