A0A096M9M1_POEFO Loading...

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AlphaFold DB , UniProt , Accession A0A096M9M1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 143 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
1M60.2Low91.8Very high188 Ų18866 Ų6693%0.92634%0.342SS*.  0135.60-78.6-175-88.300107.9
2S89.6Confident92.2Very high72 Ų7265.5 Ų65.550%0.50334%0.344SS..  trans-87.2154.8176.161.50000109.8Q4 S5S2-Q4 PolarHBondContact O-N 2.82Å; S2-S5 PolarHBondContact O-N 3.23Å; S2-S5 PolarHBondContact O-OG 3.27Å
3W94.3Very high92.5Very high76 Ų7666.2 Ų66.229%0.28836%0.355SS..Hα-helixtrans-60-32.8174-69.1118.1000112.4S5 Y6 I26 W37 V38 L138 M143W3-S5 VanDerWaalsContact C-N 3.29Å; W3-S5 PolarHBondContact O-N 3.37Å; W3-Y6 AromaticContact CE3-CD2 3.87Å; W3-Y6 HydrophobicContact CE3-CD2 3.87Å; W3-Y6 HydrophobicContact CE3-CE2 4.04Å; W3-Y6 HydrophobicContact CZ3-CD2 4.28Å; W3-Y6 HydrophobicContact CZ3-CE2 4.12Å; W3-Y6 PolarHBondContact O-N 3Å; W3-Y6 VanDerWaalsContact O-N 3.17Å; W3-I26 HydrophobicContact CE3-CD1 3.84Å; W3-I26 HydrophobicContact CE3-CG2 4.15Å; W3-I26 HydrophobicContact CZ3-CD1 4.34Å; W3-I26 HydrophobicContact CZ3-CG2 4.18Å; W3-W37 AromaticContact CD2-CE3 3.94Å; W3-W37 HydrophobicContact CD2-CE3 3.94Å; W3-W37 AromaticContact CE2-CE3 3.44Å; W3-W37 VanDerWaalsContact CE2-CE3 3.44Å; W3-W37 AromaticContact CE2-CZ3 3.93Å; W3-W37 HydrophobicContact CE3-CE3 4.17Å; W3-W37 HydrophobicContact CG-CB 4.3Å; W3-W37 AromaticContact CH2-CE3 3.56Å; W3-W37 HydrophobicContact CH2-CE3 3.56Å; W3-W37 HydrophobicContact CH2-CH2 4.39Å; W3-W37 AromaticContact CH2-CZ3 3.28Å; W3-W37 HydrophobicContact CH2-CZ3 3.28Å; W3-W37 HydrophobicContact CZ2-CD2 4.24Å; W3-W37 AromaticContact CZ2-CE3 3.26Å; W3-W37 HydrophobicContact CZ2-CE3 3.26Å; W3-W37 HydrophobicContact CZ2-CH2 4.16Å; W3-W37 AromaticContact CZ2-CZ3 3.22Å; W3-W37 HydrophobicContact CZ2-CZ3 3.22Å; W3-W37 AromaticContact CZ3-CE3 3.99Å; W3-W37 HydrophobicContact CZ3-CE3 3.99Å; W3-W37 HydrophobicContact CZ3-CZ3 4.03Å; W3-W37 AromaticContact NE1-CE3 3.98Å; W3-V38 HydrophobicContact CB-CB 3.75Å; W3-V38 HydrophobicContact CB-CG1 3.52Å; W3-V38 HydrophobicContact CB-CG2 4.47Å; W3-L138 HydrophobicContact CH2-CD2 4.31Å; W3-L138 HydrophobicContact CZ3-CD1 4.32Å; W3-L138 HydrophobicContact CZ3-CD2 3.89Å; W3-M143 HydrophobicContact CH2-CE 4.12Å; W3-M143 HydrophobicContact CH2-SD 3.7Å; W3-M143 HydrophobicContact CZ2-SD 4.26Å
4Q95.5Very high92.5Very high78 Ų7864.3 Ų64.336%0.36434%0.344SS..Hα-helixtrans-57.7-37.7177.3-172.558.847.500112.9S2 Y6 I7 D8 V38S2-Q4 PolarHBondContact O-N 2.82Å; Q4-Y6 PolarHBondContact O-N 3.23Å; Q4-Y6 VanDerWaalsContact O-N 3.16Å; Q4-I7 WeakPolarHBondContact O-CB 3.36Å; Q4-I7 PolarHBondContact O-N 3.08Å; Q4-D8 PolarHBondContact NE2-OD1 3.32Å; Q4-D8 VanDerWaalsContact O-CG 3.26Å; Q4-D8 PolarHBondContact O-N 3.24Å; Q4-V38 HydrophobicContact CB-CG2 4.31Å
5S95.6Very high92.3Very high36 Ų3673.9 Ų73.925%0.25239%0.386SS..Hα-helixtrans-63.3-26.2-179.160.10000113.3S2 W3 T9S2-S5 PolarHBondContact O-N 3.23Å; S2-S5 PolarHBondContact O-OG 3.27Å; W3-S5 VanDerWaalsContact C-N 3.29Å; W3-S5 PolarHBondContact O-N 3.37Å; S5-T9 WeakPolarHBondContact O-CB 3.48Å; S5-T9 PolarHBondContact O-N 3.49Å; S5-T9 PolarHBondContact O-OG1 2.93Å
6Y96.4Very high92.2Very high25 Ų2574.3 Ų74.310%0.09840%0.397CS..Hα-helixtrans-71-39.4173.3-67-70.6000111.8W3 Q4 T9 M10 I26 V134 H137 L138W3-Y6 AromaticContact CE3-CD2 3.87Å; W3-Y6 HydrophobicContact CE3-CD2 3.87Å; W3-Y6 HydrophobicContact CE3-CE2 4.04Å; W3-Y6 HydrophobicContact CZ3-CD2 4.28Å; W3-Y6 HydrophobicContact CZ3-CE2 4.12Å; W3-Y6 PolarHBondContact O-N 3Å; W3-Y6 VanDerWaalsContact O-N 3.17Å; Q4-Y6 PolarHBondContact O-N 3.23Å; Q4-Y6 VanDerWaalsContact O-N 3.16Å; Y6-T9 PolarHBondContact O-N 2.98Å; Y6-M10 WeakPolarHBondContact O-CG 3.5Å; Y6-M10 PolarHBondContact O-N 3.18Å; Y6-I26 HydrophobicContact CD2-CD1 4.21Å; Y6-I26 HydrophobicContact CG-CD1 4.21Å; Y6-V134 HydrophobicContact CD1-CG1 3.88Å; Y6-V134 HydrophobicContact CD1-CG2 4.42Å; Y6-V134 HydrophobicContact CG-CG1 4.24Å; Y6-H137 AromaticContact CE1-CD2 3.61Å; Y6-H137 AromaticContact CZ-CD2 3.87Å; Y6-H137 PolarHBondContact OH-CD2 2.83Å; Y6-H137 VanDerWaalsContact OH-CD2 3.29Å; Y6-H137 PolarHBondContact OH-NE2 3.28Å; Y6-H137 VanDerWaalsContact OH-NE2 3.12Å; Y6-L138 HydrophobicContact CE1-CD2 4.26Å; Y6-L138 HydrophobicContact CE2-CD2 4.05Å
7I96.1Very high92.2Very high1 Ų173.2 Ų73.21%0.00541%0.408CS..Hα-helixtrans-62.3-48.7172.5-67.2-162000110.2Q4 T9 M10 K11 A24 V38 T40Q4-I7 WeakPolarHBondContact O-CB 3.36Å; Q4-I7 PolarHBondContact O-N 3.08Å; I7-T9 PolarHBondContact O-N 2.72Å; I7-M10 HydrophobicContact CG1-CE 4.4Å; I7-M10 PolarHBondContact O-N 3.46Å; I7-M10 VanDerWaalsContact O-N 3.07Å; I7-K11 HydrophobicContact CG2-CD 4.1Å; I7-K11 HydrophobicContact CG2-CG 4.5Å; I7-K11 WeakPolarHBondContact O-CG 3.34Å; I7-K11 PolarHBondContact O-N 2.86Å; I7-A24 HydrophobicContact CD1-CB 4.43Å; I7-A24 WeakPolarHBondContact CD1-O 3.43Å; I7-A24 HydrophobicContact CG1-CB 4.26Å; I7-A24 HydrophobicContact CG2-CB 4.3Å; I7-V38 HydrophobicContact CD1-CB 4.25Å; I7-V38 HydrophobicContact CD1-CG1 3.78Å; I7-V38 HydrophobicContact CD1-CG2 3.79Å; I7-V38 HydrophobicContact CG1-CG1 3.94Å; I7-V38 HydrophobicContact CG1-CG2 4.38Å; I7-T40 HydrophobicContact CD1-CG2 4.36Å; I7-T40 HydrophobicContact CG2-CG2 3.59Å
8D95.8Very high92.3Very high85 Ų8572.8 Ų72.846%0.45541%0.408SS..Hα-helixtrans-59-42.1-178.6-59-21.2000110.3Q4 K11 T12Q4-D8 PolarHBondContact NE2-OD1 3.32Å; Q4-D8 VanDerWaalsContact O-CG 3.26Å; Q4-D8 PolarHBondContact O-N 3.24Å; D8-K11 CarbonylContact O-C 3.57Å; D8-K11 PolarHBondContact O-N 3.16Å; D8-T12 WeakPolarHBondContact O-CG2 3.45Å; D8-T12 PolarHBondContact O-N 3.17Å
9T95.1Very high92.5Very high82 Ų8272.3 Ų72.350%0.50341%0.406SS..Hα-helixtrans-62.1-43.2175.3-59.10000112.3S5 Y6 I7 K11 T12S5-T9 WeakPolarHBondContact O-CB 3.48Å; S5-T9 PolarHBondContact O-N 3.49Å; S5-T9 PolarHBondContact O-OG1 2.93Å; Y6-T9 PolarHBondContact O-N 2.98Å; I7-T9 PolarHBondContact O-N 2.72Å; T9-K11 PolarHBondContact O-N 3Å; T9-T12 PolarHBondContact O-N 3.31Å; T9-T12 PolarHBondContact O-OG1 2.94Å
10M95.6Very high92.8Very high2 Ų268.7 Ų68.71%0.0139%0.386CS..Hα-helixtrans-63.6-30.7176.6-75-171.7-74.500112.4Y6 I7 T12 V21 A24 V114 A116 K130 V131 V134Y6-M10 WeakPolarHBondContact O-CG 3.5Å; Y6-M10 PolarHBondContact O-N 3.18Å; I7-M10 HydrophobicContact CG1-CE 4.4Å; I7-M10 PolarHBondContact O-N 3.46Å; I7-M10 VanDerWaalsContact O-N 3.07Å; M10-T12 VanDerWaalsContact C-N 3.32Å; M10-V21 HydrophobicContact CB-CG1 4.5Å; M10-V21 HydrophobicContact CB-CG2 4.46Å; M10-V21 WeakPolarHBondContact O-CG2 3.35Å; M10-A24 HydrophobicContact CE-CB 3.63Å; M10-A24 HydrophobicContact SD-CB 4.44Å; M10-V114 HydrophobicContact CE-CG1 3.95Å; M10-V114 HydrophobicContact SD-CG1 3.88Å; M10-A116 HydrophobicContact SD-CB 4.47Å; M10-K130 HydrophobicContact CG-CB 4.32Å; M10-V131 HydrophobicContact SD-CG2 4.49Å; M10-V134 HydrophobicContact CG-CG2 3.8Å; M10-V134 HydrophobicContact SD-CG2 4.07Å
11K96.2Very high93Very high81 Ų8165.5 Ų65.535%0.35237%0.368SS..THydrogen-bonded Turntrans-89.713.3178.7-63.6-170.964.9159.60114.2I7 D8 T9 V19 V21 A22 T40I7-K11 HydrophobicContact CG2-CD 4.1Å; I7-K11 HydrophobicContact CG2-CG 4.5Å; I7-K11 WeakPolarHBondContact O-CG 3.34Å; I7-K11 PolarHBondContact O-N 2.86Å; D8-K11 CarbonylContact O-C 3.57Å; D8-K11 PolarHBondContact O-N 3.16Å; T9-K11 PolarHBondContact O-N 3Å; K11-V19 WeakPolarHBondContact O-CG1 3.36Å; K11-V21 HydrophobicContact CG-CB 4.42Å; K11-V21 HydrophobicContact CG-CG1 4.2Å; K11-A22 WeakPolarHBondContact CE-O 3.34Å; K11-A22 PolarHBondContact NZ-O 3Å; K11-T40 HydrophobicContact CD-CG2 3.96Å
12T96.3Very high94.8Very high60 Ų6057.9 Ų57.937%0.36834%0.335SS..SBendtrans-82.9158.9167.959.50000111.8D8 T9 M10 K130D8-T12 WeakPolarHBondContact O-CG2 3.45Å; D8-T12 PolarHBondContact O-N 3.17Å; T9-T12 PolarHBondContact O-N 3.31Å; T9-T12 PolarHBondContact O-OG1 2.94Å; M10-T12 VanDerWaalsContact C-N 3.32Å; T12-K130 WeakPolarHBondContact O-CE 3.42Å; T12-K130 PolarHBondContact O-NZ 2.65Å; T12-K130 PolarHBondContact OG1-NZ 2.68Å
13P95.8Very high95.2Very high75 Ų7556.7 Ų56.749%0.48732%0.322SS..  trans-52.9145.9169.9-26.735.6000112.5T18 V19 K130P13-T18 CarbonylContact C-O 3.57Å; P13-T18 WeakPolarHBondContact CA-O 3.44Å; P13-V19 HydrophobicContact CB-CG2 4.47Å; P13-V19 HydrophobicContact CG-CG2 3.95Å; P13-K130 PolarHBondContact O-NZ 3.12Å
14D92.3Very high95.3Very high39 Ų3953 Ų5321%0.20931%0.308CS..  trans-86.6-171.3166.172.511.6000110.9S16 G17 T18 Q126D14-S16 PolarHBondContact O-N 2.83Å; D14-S16 WeakPolarHBondContact OD1-CA 3.27Å; D14-S16 VanDerWaalsContact OD1-CB 3.29Å; D14-S16 WeakPolarHBondContact OD1-CB 3.48Å; D14-S16 PolarHBondContact OD1-N 2.91Å; D14-S16 PolarHBondContact OD1-OG 3.15Å; D14-G17 PolarHBondContact O-N 2.64Å; D14-G17 PolarHBondContact OD1-N 2.97Å; D14-T18 PolarHBondContact N-O 3.29Å; D14-T18 PolarHBondContact OD1-N 3.45Å; D14-T18 PolarHBondContact OD1-OG1 3.31Å; D14-Q126 WeakPolarHBondContact OD2-CG 3.44Å; D14-Q126 PolarHBondContact OD2-NE2 2.94Å
15Q89.4Confident95.5Very high209 Ų20949.3 Ų49.398%0.97729%0.29SS*.THydrogen-bonded Turntrans-63.1-19.9-179.8-63.8176.82.300113.6G17Q15-G17 VanDerWaalsContact C-N 3.3Å
16S90.6Very high95.6Very high79 Ų7947.6 Ų47.655%0.55228%0.278SS*.THydrogen-bonded Turntrans-84.5-4.4174.774.20000113.2D14 T18D14-S16 PolarHBondContact O-N 2.83Å; D14-S16 WeakPolarHBondContact OD1-CA 3.27Å; D14-S16 VanDerWaalsContact OD1-CB 3.29Å; D14-S16 WeakPolarHBondContact OD1-CB 3.48Å; D14-S16 PolarHBondContact OD1-N 2.91Å; D14-S16 PolarHBondContact OD1-OG 3.15Å; S16-T18 VanDerWaalsContact C-N 3.27Å; S16-T18 PolarHBondContact O-N 3.29Å; S16-T18 PolarHBondContact OG-OG1 2.99Å
17G92.7Very high95.7Very high57 Ų5746.4 Ų46.459%0.58827%0.274SS*.SBendtrans80.43.8-175.100000114D14 Q15D14-G17 PolarHBondContact O-N 2.64Å; D14-G17 PolarHBondContact OD1-N 2.97Å; Q15-G17 VanDerWaalsContact C-N 3.3Å
18T94.1Very high95.7Very high66 Ų6646.4 Ų46.441%0.40527%0.274SS..  trans-93.7150.6178.164.80000111.1P13 D14 S16 P20 Q126P13-T18 CarbonylContact C-O 3.57Å; P13-T18 WeakPolarHBondContact CA-O 3.44Å; D14-T18 PolarHBondContact N-O 3.29Å; D14-T18 PolarHBondContact OD1-N 3.45Å; D14-T18 PolarHBondContact OD1-OG1 3.31Å; S16-T18 VanDerWaalsContact C-N 3.27Å; S16-T18 PolarHBondContact O-N 3.29Å; S16-T18 PolarHBondContact OG-OG1 2.99Å; T18-P20 WeakPolarHBondContact O-CD 3.45Å; T18-Q126 PolarHBondContact OG1-NE2 3.28Å
19V96.7Very high95.8Very high62 Ų6243.5 Ų43.538%0.37626%0.258SS..  trans-100.194.6173-178.60000108.1K11 P13 V21 T119K11-V19 WeakPolarHBondContact O-CG1 3.36Å; P13-V19 HydrophobicContact CB-CG2 4.47Å; P13-V19 HydrophobicContact CG-CG2 3.95Å; V19-V21 VanDerWaalsContact C-N 3.32Å; V19-V21 PolarHBondContact O-N 3.34Å; V19-T119 WeakPolarHBondContact O-CG2 3.29Å
20P96.9Very high95.8Very high1 Ų141.2 Ų41.21%0.00625%0.247CC..  trans-76.3-18.9-171.629.6-36.9000113.3T18 G118 T119 A122 Q126 K130T18-P20 WeakPolarHBondContact O-CD 3.45Å; P20-G118 CarbonylContact O-C 3.6Å; P20-G118 WeakPolarHBondContact O-CA 3.2Å; P20-T119 PolarHBondContact O-N 2.95Å; P20-A122 HydrophobicContact CB-CB 3.83Å; P20-A122 WeakPolarHBondContact O-CB 3.39Å; P20-Q126 HydrophobicContact CB-CB 3.64Å; P20-Q126 HydrophobicContact CG-CB 3.99Å; P20-K130 HydrophobicContact CG-CG 4.21Å
21V97.8Very high95.6Very high1 Ų147 Ų471%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-98.6117-175-179.10000110.6M10 K11 V19 E23 A24 A116 K130M10-V21 HydrophobicContact CB-CG1 4.5Å; M10-V21 HydrophobicContact CB-CG2 4.46Å; M10-V21 WeakPolarHBondContact O-CG2 3.35Å; K11-V21 HydrophobicContact CG-CB 4.42Å; K11-V21 HydrophobicContact CG-CG1 4.2Å; V19-V21 VanDerWaalsContact C-N 3.32Å; V19-V21 PolarHBondContact O-N 3.34Å; V21-E23 WeakPolarHBondContact CG1-O 3.44Å; V21-A24 HydrophobicContact CG1-CB 4.13Å; V21-A116 HydrophobicContact CG1-CB 4.08Å; V21-A116 HydrophobicContact CG2-CB 4.25Å; V21-K130 HydrophobicContact CG2-CB 4.06Å; V21-K130 HydrophobicContact CG2-CG 4.06Å
22A97.3Very high95.4Very high28 Ų2846.5 Ų46.523%0.23130%0.303CS..EExtended strand (participates in β ladder)trans-83.1-51173.700000110.8K11 K117 T119K11-A22 WeakPolarHBondContact CE-O 3.34Å; K11-A22 PolarHBondContact NZ-O 3Å; A22-K117 PolarHBondContact N-O 3.46Å; A22-T119 HydrophobicContact CB-CG2 3.98Å
23E97.9Very high95.3Very high47 Ų4750.5 Ų50.522%0.2232%0.317CS..EExtended strand (participates in β ladder)trans-129.9146.4-175.9-54.3-65143.300110.4V21 T40 G42 L43 A116 K117V21-E23 WeakPolarHBondContact CG1-O 3.44Å; E23-T40 VanDerWaalsContact CA-OG1 3.23Å; E23-T40 WeakPolarHBondContact CA-OG1 3.44Å; E23-T40 WeakPolarHBondContact CB-OG1 3.22Å; E23-T40 WeakPolarHBondContact OE2-CB 3.5Å; E23-T40 PolarHBondContact OE2-OG1 3.09Å; E23-G42 VanDerWaalsContact OE2-CA 3.31Å; E23-G42 WeakPolarHBondContact OE2-CA 3.37Å; E23-G42 PolarHBondContact OE2-N 3.48Å; E23-L43 HydrophobicContact CB-CD1 3.86Å; E23-L43 HydrophobicContact CB-CG 3.84Å; E23-A116 WeakPolarHBondContact O-CA 3.44Å; E23-K117 HydrophobicContact CB-CB 4.15Å; E23-K117 PolarHBondContact N-O 3.3Å; E23-K117 PolarHBondContact O-N 2.96Å
24A98.3Very high95.4Very high0 Ų048.4 Ų48.40%030%0.301CS..EExtended strand (participates in β ladder)trans-145.8156176.300000112I7 M10 V21 S39 T40 I115I7-A24 HydrophobicContact CD1-CB 4.43Å; I7-A24 WeakPolarHBondContact CD1-O 3.43Å; I7-A24 HydrophobicContact CG1-CB 4.26Å; I7-A24 HydrophobicContact CG2-CB 4.3Å; M10-A24 HydrophobicContact CE-CB 3.63Å; M10-A24 HydrophobicContact SD-CB 4.44Å; V21-A24 HydrophobicContact CG1-CB 4.13Å; A24-S39 CarbonylContact O-C 3.53Å; A24-S39 WeakPolarHBondContact O-CA 3.29Å; A24-T40 PolarHBondContact N-OG1 2.92Å; A24-T40 PolarHBondContact O-N 2.73Å; A24-T40 PolarHBondContact O-OG1 3.36Å; A24-I115 CarbonylContact C-O 3.03Å; A24-I115 WeakPolarHBondContact CA-O 3.38Å
25A98.4Very high95.6Very high0 Ų048.9 Ų48.90%031%0.308CS..EExtended strand (participates in β ladder)trans-149153.1174.700000111.1V38 L43 I46 I115A25-V38 CarbonylContact C-O 3.54Å; A25-V38 VanDerWaalsContact CA-O 3.29Å; A25-V38 WeakPolarHBondContact CA-O 3.4Å; A25-L43 HydrophobicContact CB-CB 4.05Å; A25-L43 HydrophobicContact CB-CD1 4.1Å; A25-I46 HydrophobicContact CB-CD1 3.88Å; A25-I115 HydrophobicContact CB-CB 4.45Å; A25-I115 PolarHBondContact N-O 2.88Å; A25-I115 PolarHBondContact O-N 3.23Å
26I98.1Very high96Very high0 Ų041.2 Ų41.20%028%0.275CS..EExtended strand (participates in β ladder)trans-124.4123.3167.3-55.5177.2000106.9W3 Y6 W37 V38 A112 V113 V114W3-I26 HydrophobicContact CE3-CD1 3.84Å; W3-I26 HydrophobicContact CE3-CG2 4.15Å; W3-I26 HydrophobicContact CZ3-CD1 4.34Å; W3-I26 HydrophobicContact CZ3-CG2 4.18Å; Y6-I26 HydrophobicContact CD2-CD1 4.21Å; Y6-I26 HydrophobicContact CG-CD1 4.21Å; I26-W37 HydrophobicContact CG2-CE3 3.88Å; I26-W37 HydrophobicContact CG2-CZ3 4.46Å; I26-W37 WeakPolarHBondContact O-CB 3.33Å; I26-W37 PolarHBondContact O-N 3.19Å; I26-V38 HydrophobicContact CB-CG1 3.91Å; I26-V38 HydrophobicContact CD1-CG1 4.14Å; I26-V38 HydrophobicContact CG1-CG1 4.03Å; I26-V38 PolarHBondContact N-O 3.34Å; I26-V38 PolarHBondContact O-N 2.9Å; I26-A112 HydrophobicContact CG2-CB 4.07Å; I26-V113 WeakPolarHBondContact CA-O 3.48Å; I26-V114 HydrophobicContact CG1-CG1 4.49Å; I26-V114 HydrophobicContact CG1-CG2 4.42Å
27C98.1Very high96.3Very high0 Ų041.7 Ų41.70%026%0.264CS..EExtended strand (participates in β ladder)trans-122.2129.3-177.4-53.20000109.9S35 I51 A112 V113C27-S35 CarbonylContact C-O 3.49Å; C27-S35 VanDerWaalsContact CA-O 3.22Å; C27-S35 WeakPolarHBondContact CA-O 3.42Å; C27-I51 HydrophobicContact CB-CD1 3.85Å; C27-I51 HydrophobicContact CB-CG1 3.81Å; C27-I51 HydrophobicContact CB-CG2 4.01Å; C27-A112 CarbonylContact O-C 3.57Å; C27-A112 WeakPolarHBondContact O-CA 3.31Å; C27-A112 WeakPolarHBondContact O-CB 3.34Å; C27-V113 HydrophobicContact CB-CG2 3.88Å; C27-V113 PolarHBondContact N-O 2.88Å; C27-V113 PolarHBondContact O-N 2.83Å
28G97.6Very high96.5Very high1 Ų139.8 Ų39.81%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-68.9138171.800000110.9E34 S35 W37 I51 T111G28-E34 VanDerWaalsContact O-CA 3.31Å; G28-E34 WeakPolarHBondContact O-CA 3.39Å; G28-S35 PolarHBondContact N-O 3.07Å; G28-S35 PolarHBondContact O-N 3.27Å; G28-W37 VanDerWaalsContact CA-CE2 3.43Å; G28-W37 VanDerWaalsContact CA-CZ2 3.44Å; G28-I51 VanDerWaalsContact O-CG2 3.22Å; G28-I51 WeakPolarHBondContact O-CG2 3.27Å; G28-T111 WeakPolarHBondContact CA-O 3.31Å
29I96.9Very high96.7Very high24 Ų2437.7 Ų37.712%0.12323%0.23CC..  trans-116.214.6-179.360.9167.5000113I51 K108 T111 V113I29-I51 HydrophobicContact CG2-CG2 3.82Å; I29-K108 HydrophobicContact CD1-CG 4.36Å; I29-T111 VanDerWaalsContact CG1-C 3.41Å; I29-T111 WeakPolarHBondContact CG1-O 3.25Å; I29-T111 PolarHBondContact N-O 2.84Å; I29-V113 HydrophobicContact CD1-CG1 4.45Å; I29-V113 HydrophobicContact CG2-CB 4.33Å; I29-V113 HydrophobicContact CG2-CG1 3.79Å; I29-V113 HydrophobicContact CG2-CG2 3.89Å
30A94.4Very high96.7Very high33 Ų3335.2 Ų35.227%0.27321%0.214SC..  trans-62.6129.6176.100000109.9G32 Q33 E34A30-G32 PolarHBondContact O-N 2.82Å; A30-Q33 HydrophobicContact CB-CB 4.21Å; A30-Q33 CarbonylContact O-C 3.45Å; A30-Q33 PolarHBondContact O-N 3.31Å; A30-E34 VanDerWaalsContact O-CD 3.32Å; A30-E34 PolarHBondContact O-N 3.17Å
31P92Very high96.7Very high124 Ų12440 Ų4081%0.80525%0.246SC*.THydrogen-bonded Turntrans-54.6122-177.8-27.935.1000112.4Q33 E34P31-Q33 VanDerWaalsContact C-N 3.3Å; P31-Q33 PolarHBondContact O-N 3.46Å; P31-E34 WeakPolarHBondContact CA-OE1 3.37Å
32G92.3Very high96.5Very high70 Ų7042.4 Ų42.472%0.72227%0.27SS*.THydrogen-bonded Turntrans81.22.5-179.300000115.1A30 E34A30-G32 PolarHBondContact O-N 2.82Å; G32-E34 WeakPolarHBondContact CA-OE2 3.3Å; G32-E34 PolarHBondContact N-OE1 2.94Å; G32-E34 PolarHBondContact N-OE2 2.85Å
33Q93.9Very high96.4Very high145 Ų14541.3 Ų41.368%0.67826%0.261SS*.  trans-130.220.1176.4-63.2-173.6-26.800111.9A30 P31 S35A30-Q33 HydrophobicContact CB-CB 4.21Å; A30-Q33 CarbonylContact O-C 3.45Å; A30-Q33 PolarHBondContact O-N 3.31Å; P31-Q33 VanDerWaalsContact C-N 3.3Å; P31-Q33 PolarHBondContact O-N 3.46Å; Q33-S35 PolarHBondContact O-N 3.01Å; Q33-S35 PolarHBondContact O-OG 3.01Å; Q33-S35 VanDerWaalsContact O-OG 3.08Å
34E97.2Very high96.2Very high31 Ų3145.2 Ų45.215%0.14528%0.279CS..  trans-64.1122.7-177.8-57.290.3160.600110.7G28 A30 P31 G32 V48 I51 K52G28-E34 VanDerWaalsContact O-CA 3.31Å; G28-E34 WeakPolarHBondContact O-CA 3.39Å; A30-E34 VanDerWaalsContact O-CD 3.32Å; A30-E34 PolarHBondContact O-N 3.17Å; P31-E34 WeakPolarHBondContact CA-OE1 3.37Å; G32-E34 WeakPolarHBondContact CA-OE2 3.3Å; G32-E34 PolarHBondContact N-OE1 2.94Å; G32-E34 PolarHBondContact N-OE2 2.85Å; E34-V48 HydrophobicContact CB-CG1 4.19Å; E34-I51 HydrophobicContact CB-CB 4.33Å; E34-I51 HydrophobicContact CB-CG2 3.86Å; E34-I51 HydrophobicContact CG-CG2 4.32Å; E34-K52 HydrophobicContact CB-CG 4.32Å; E34-K52 HydrophobicContact CG-CG 3.75Å; E34-K52 WeakPolarHBondContact OE1-CE 3.36Å; E34-K52 VanDerWaalsContact OE2-CE 3.3Å; E34-K52 WeakPolarHBondContact OE2-CE 3.35Å
35S97.1Very high96Very high49 Ų4948 Ų4834%0.34331%0.308SS..EExtended strand (participates in β ladder)trans-162.6155.2-172.451.10000111.4C27 G28 Q33 W37C27-S35 CarbonylContact C-O 3.49Å; C27-S35 VanDerWaalsContact CA-O 3.22Å; C27-S35 WeakPolarHBondContact CA-O 3.42Å; G28-S35 PolarHBondContact N-O 3.07Å; G28-S35 PolarHBondContact O-N 3.27Å; Q33-S35 PolarHBondContact O-N 3.01Å; Q33-S35 PolarHBondContact O-OG 3.01Å; Q33-S35 VanDerWaalsContact O-OG 3.08Å; S35-W37 PolarHBondContact O-N 2.85Å
36V97.7Very high95.9Very high48 Ų4848.6 Ų48.629%0.29131%0.311SS..EExtended strand (participates in β ladder)trans-77117.2170.2-177.50000108.1I46 I51V36-I46 HydrophobicContact CG2-CB 4.14Å; V36-I46 HydrophobicContact CG2-CG2 4.49Å; V36-I51 HydrophobicContact CG2-CD1 4.08Å
37W96.9Very high95.9Very high88 Ų8851 Ų5133%0.33333%0.328SS..EExtended strand (participates in β ladder)trans-83.2-37.4176.5-66.2-12.4000111.8W3 I26 G28 S35 A112W3-W37 AromaticContact CD2-CE3 3.94Å; W3-W37 HydrophobicContact CD2-CE3 3.94Å; W3-W37 AromaticContact CE2-CE3 3.44Å; W3-W37 VanDerWaalsContact CE2-CE3 3.44Å; W3-W37 AromaticContact CE2-CZ3 3.93Å; W3-W37 HydrophobicContact CE3-CE3 4.17Å; W3-W37 HydrophobicContact CG-CB 4.3Å; W3-W37 AromaticContact CH2-CE3 3.56Å; W3-W37 HydrophobicContact CH2-CE3 3.56Å; W3-W37 HydrophobicContact CH2-CH2 4.39Å; W3-W37 AromaticContact CH2-CZ3 3.28Å; W3-W37 HydrophobicContact CH2-CZ3 3.28Å; W3-W37 HydrophobicContact CZ2-CD2 4.24Å; W3-W37 AromaticContact CZ2-CE3 3.26Å; W3-W37 HydrophobicContact CZ2-CE3 3.26Å; W3-W37 HydrophobicContact CZ2-CH2 4.16Å; W3-W37 AromaticContact CZ2-CZ3 3.22Å; W3-W37 HydrophobicContact CZ2-CZ3 3.22Å; W3-W37 AromaticContact CZ3-CE3 3.99Å; W3-W37 HydrophobicContact CZ3-CE3 3.99Å; W3-W37 HydrophobicContact CZ3-CZ3 4.03Å; W3-W37 AromaticContact NE1-CE3 3.98Å; I26-W37 HydrophobicContact CG2-CE3 3.88Å; I26-W37 HydrophobicContact CG2-CZ3 4.46Å; I26-W37 WeakPolarHBondContact O-CB 3.33Å; I26-W37 PolarHBondContact O-N 3.19Å; G28-W37 VanDerWaalsContact CA-CE2 3.43Å; G28-W37 VanDerWaalsContact CA-CZ2 3.44Å; S35-W37 PolarHBondContact O-N 2.85Å; W37-A112 HydrophobicContact CE3-CB 4.31Å; W37-A112 HydrophobicContact CH2-CB 4.04Å; W37-A112 HydrophobicContact CZ3-CB 3.67Å
38V97.8Very high95.8Very high18 Ų1854.2 Ų54.211%0.10935%0.347CS..EExtended strand (participates in β ladder)trans-157146.4174.668.50000109.4W3 Q4 I7 A25 I26W3-V38 HydrophobicContact CB-CB 3.75Å; W3-V38 HydrophobicContact CB-CG1 3.52Å; W3-V38 HydrophobicContact CB-CG2 4.47Å; Q4-V38 HydrophobicContact CB-CG2 4.31Å; I7-V38 HydrophobicContact CD1-CB 4.25Å; I7-V38 HydrophobicContact CD1-CG1 3.78Å; I7-V38 HydrophobicContact CD1-CG2 3.79Å; I7-V38 HydrophobicContact CG1-CG1 3.94Å; I7-V38 HydrophobicContact CG1-CG2 4.38Å; A25-V38 CarbonylContact C-O 3.54Å; A25-V38 VanDerWaalsContact CA-O 3.29Å; A25-V38 WeakPolarHBondContact CA-O 3.4Å; I26-V38 HydrophobicContact CB-CG1 3.91Å; I26-V38 HydrophobicContact CD1-CG1 4.14Å; I26-V38 HydrophobicContact CG1-CG1 4.03Å; I26-V38 PolarHBondContact N-O 3.34Å; I26-V38 PolarHBondContact O-N 2.9Å
39S97.6Very high95.8Very high22 Ų2259.8 Ų59.815%0.15438%0.377CS..EExtended strand (participates in β ladder)trans-156.1154.6174.756.40000111.1A24 Q44A24-S39 CarbonylContact O-C 3.53Å; A24-S39 WeakPolarHBondContact O-CA 3.29Å; S39-Q44 VanDerWaalsContact OG-CG 3.31Å; S39-Q44 WeakPolarHBondContact OG-CG 3.16Å
40T97.4Very high95.8Very high9 Ų959.7 Ų59.76%0.05538%0.376CS..  trans-74.1159.3161.655.90000110.3I7 K11 E23 A24 G42 L43 Q44I7-T40 HydrophobicContact CD1-CG2 4.36Å; I7-T40 HydrophobicContact CG2-CG2 3.59Å; K11-T40 HydrophobicContact CD-CG2 3.96Å; E23-T40 VanDerWaalsContact CA-OG1 3.23Å; E23-T40 WeakPolarHBondContact CA-OG1 3.44Å; E23-T40 WeakPolarHBondContact CB-OG1 3.22Å; E23-T40 WeakPolarHBondContact OE2-CB 3.5Å; E23-T40 PolarHBondContact OE2-OG1 3.09Å; A24-T40 PolarHBondContact N-OG1 2.92Å; A24-T40 PolarHBondContact O-N 2.73Å; A24-T40 PolarHBondContact O-OG1 3.36Å; T40-G42 PolarHBondContact O-N 2.65Å; T40-G42 VanDerWaalsContact O-N 3.09Å; T40-L43 PolarHBondContact O-N 3.06Å; T40-Q44 PolarHBondContact O-N 3.23Å
41P95.6Very high95.9Very high102 Ų10258.1 Ų58.166%0.66236%0.363SS*.G310 helixtrans-52-36.8-175.5-29.436.7000114.7L43 Q44P41-L43 PolarHBondContact O-N 3.23Å; P41-Q44 PolarHBondContact O-N 3.32Å
42G93.9Very high96.1Very high51 Ų5156.8 Ų56.853%0.52635%0.345SS..G310 helixtrans-71.1-8.7-179.300000115.1E23 T40E23-G42 VanDerWaalsContact OE2-CA 3.31Å; E23-G42 WeakPolarHBondContact OE2-CA 3.37Å; E23-G42 PolarHBondContact OE2-N 3.48Å; T40-G42 PolarHBondContact O-N 2.65Å; T40-G42 VanDerWaalsContact O-N 3.09Å
43L96.1Very high96.2Very high6 Ų657.3 Ų57.33%0.03133%0.327CS..G310 helixtrans-12410.9178.1-68.1180000113.4E23 A25 T40 P41 G45 I46 I69 I115E23-L43 HydrophobicContact CB-CD1 3.86Å; E23-L43 HydrophobicContact CB-CG 3.84Å; A25-L43 HydrophobicContact CB-CB 4.05Å; A25-L43 HydrophobicContact CB-CD1 4.1Å; T40-L43 PolarHBondContact O-N 3.06Å; P41-L43 PolarHBondContact O-N 3.23Å; L43-G45 PolarHBondContact O-N 3.13Å; L43-I46 HydrophobicContact CB-CD1 3.92Å; L43-I46 HydrophobicContact CB-CG1 4.47Å; L43-I46 HydrophobicContact CD2-CD1 4.27Å; L43-I46 HydrophobicContact CG-CD1 4.49Å; L43-I46 WeakPolarHBondContact O-CD1 3.44Å; L43-I46 VanDerWaalsContact O-CG1 3.32Å; L43-I46 WeakPolarHBondContact O-CG1 3.22Å; L43-I46 PolarHBondContact O-N 3.3Å; L43-I69 HydrophobicContact CD2-CG2 3.86Å; L43-I115 HydrophobicContact CD1-CG2 4.1Å
44Q92.5Very high96.2Very high128 Ų12850.5 Ų50.560%0.59830%0.295SS*.THydrogen-bonded Turntrans-64.3-25.8175.2-74.7179.71.200113S39 T40 P41 I46S39-Q44 VanDerWaalsContact OG-CG 3.31Å; S39-Q44 WeakPolarHBondContact OG-CG 3.16Å; T40-Q44 PolarHBondContact O-N 3.23Å; P41-Q44 PolarHBondContact O-N 3.32Å; Q44-I46 PolarHBondContact O-N 2.92Å
45G93.8Very high96Very high59 Ų5949.9 Ų49.961%0.60830%0.297SS*.THydrogen-bonded Turntrans-79.77.9-179.100000115.3L43 S47L43-G45 PolarHBondContact O-N 3.13Å; G45-S47 PolarHBondContact O-N 2.91Å
46I97.8Very high95.7Very high12 Ų1249.2 Ų49.26%0.06229%0.293CS..  trans-64.3121.8176.5-66.7167.5000109.4A25 V36 L43 Q44 E50 I51 I69 I115A25-I46 HydrophobicContact CB-CD1 3.88Å; V36-I46 HydrophobicContact CG2-CB 4.14Å; V36-I46 HydrophobicContact CG2-CG2 4.49Å; L43-I46 HydrophobicContact CB-CD1 3.92Å; L43-I46 HydrophobicContact CB-CG1 4.47Å; L43-I46 HydrophobicContact CD2-CD1 4.27Å; L43-I46 HydrophobicContact CG-CD1 4.49Å; L43-I46 WeakPolarHBondContact O-CD1 3.44Å; L43-I46 VanDerWaalsContact O-CG1 3.32Å; L43-I46 WeakPolarHBondContact O-CG1 3.22Å; L43-I46 PolarHBondContact O-N 3.3Å; Q44-I46 PolarHBondContact O-N 2.92Å; I46-E50 WeakPolarHBondContact CA-OE2 3.3Å; I46-E50 HydrophobicContact CG2-CB 4.27Å; I46-I51 HydrophobicContact CG2-CD1 4.08Å; I46-I51 HydrophobicContact CG2-CG1 3.61Å; I46-I69 HydrophobicContact CD1-CG2 4.43Å; I46-I115 HydrophobicContact CD1-CD1 3.71Å
47S97.4Very high95.3Very high50 Ų5055.5 Ų55.535%0.3532%0.316SS..  trans-82.9158.9-179.566.30000112.8G45 D49 E50 I51G45-S47 PolarHBondContact O-N 2.91Å; S47-D49 PolarHBondContact O-N 2.88Å; S47-E50 PolarHBondContact N-OE2 3.19Å; S47-E50 PolarHBondContact O-N 2.66Å; S47-E50 VanDerWaalsContact OG-CG 3.22Å; S47-E50 WeakPolarHBondContact OG-CG 3.49Å; S47-E50 PolarHBondContact OG-N 3.44Å; S47-E50 PolarHBondContact OG-OE2 3.48Å; S47-I51 WeakPolarHBondContact O-CG1 3.43Å; S47-I51 PolarHBondContact O-N 3.29Å; S47-I51 VanDerWaalsContact O-N 3.08Å
48V96.9Very high94.9Very high68 Ų6855.5 Ų55.541%0.41232%0.322SS..Hα-helixtrans-58.1-38.2174.6172.90000111.7E34 I51 K52E34-V48 HydrophobicContact CB-CG1 4.19Å; V48-I51 PolarHBondContact O-N 3.25Å; V48-K52 HydrophobicContact CG1-CD 4.15Å; V48-K52 WeakPolarHBondContact O-CG 3.25Å; V48-K52 PolarHBondContact O-N 2.77Å
49D95.9Very high94.7Very high119 Ų11955.9 Ų55.964%0.63632%0.322SS*.Hα-helixtrans-69.2-38-179.9-69.5-23.6000112.2S47 K52 K53S47-D49 PolarHBondContact O-N 2.88Å; D49-K52 PolarHBondContact O-N 3.33Å; D49-K53 WeakPolarHBondContact O-CB 3.45Å; D49-K53 PolarHBondContact O-N 2.8Å
50E96.8Very high94.3Very high21 Ų2159.1 Ų59.110%0.09834%0.344CS..Hα-helixtrans-61.6-45171.4-72167.9137.400110.7I46 S47 K52 K53 L54 Y68 I69 G70 G71I46-E50 WeakPolarHBondContact CA-OE2 3.3Å; I46-E50 HydrophobicContact CG2-CB 4.27Å; S47-E50 PolarHBondContact N-OE2 3.19Å; S47-E50 PolarHBondContact O-N 2.66Å; S47-E50 VanDerWaalsContact OG-CG 3.22Å; S47-E50 WeakPolarHBondContact OG-CG 3.49Å; S47-E50 PolarHBondContact OG-N 3.44Å; S47-E50 PolarHBondContact OG-OE2 3.48Å; E50-K52 PolarHBondContact O-N 3.28Å; E50-K53 PolarHBondContact O-N 3.21Å; E50-L54 VanDerWaalsContact O-CG 3.29Å; E50-L54 WeakPolarHBondContact O-CG 3.21Å; E50-L54 PolarHBondContact O-N 3.41Å; E50-Y68 WeakPolarHBondContact CG-O 3.17Å; E50-Y68 VanDerWaalsContact OE1-CB 3.23Å; E50-Y68 WeakPolarHBondContact OE1-CB 3.23Å; E50-I69 PolarHBondContact OE1-N 2.93Å; E50-G70 PolarHBondContact OE1-N 2.8Å; E50-G70 VanDerWaalsContact OE1-N 3.07Å; E50-G70 PolarHBondContact OE2-N 3.4Å; E50-G71 PolarHBondContact OE1-N 3.43Å
51I97.5Very high93.9Very high1 Ų159.7 Ų59.71%0.00535%0.349CS..Hα-helixtrans-61.1-47178.5-62.9165.3000111C27 G28 I29 E34 V36 I46 S47 V48 K53 L54 G55C27-I51 HydrophobicContact CB-CD1 3.85Å; C27-I51 HydrophobicContact CB-CG1 3.81Å; C27-I51 HydrophobicContact CB-CG2 4.01Å; G28-I51 VanDerWaalsContact O-CG2 3.22Å; G28-I51 WeakPolarHBondContact O-CG2 3.27Å; I29-I51 HydrophobicContact CG2-CG2 3.82Å; E34-I51 HydrophobicContact CB-CB 4.33Å; E34-I51 HydrophobicContact CB-CG2 3.86Å; E34-I51 HydrophobicContact CG-CG2 4.32Å; V36-I51 HydrophobicContact CG2-CD1 4.08Å; I46-I51 HydrophobicContact CG2-CD1 4.08Å; I46-I51 HydrophobicContact CG2-CG1 3.61Å; S47-I51 WeakPolarHBondContact O-CG1 3.43Å; S47-I51 PolarHBondContact O-N 3.29Å; S47-I51 VanDerWaalsContact O-N 3.08Å; V48-I51 PolarHBondContact O-N 3.25Å; I51-K53 VanDerWaalsContact C-N 3.29Å; I51-K53 PolarHBondContact O-N 2.98Å; I51-L54 PolarHBondContact O-N 2.52Å; I51-G55 PolarHBondContact O-N 3.44Å
52K95.6Very high93.7Very high96 Ų9654.9 Ų54.942%0.41732%0.317SS..Hα-helixtrans-58-43.3175.6-76174.5178.4173.80111.5E34 V48 D49 E50 G55 S56E34-K52 HydrophobicContact CB-CG 4.32Å; E34-K52 HydrophobicContact CG-CG 3.75Å; E34-K52 WeakPolarHBondContact OE1-CE 3.36Å; E34-K52 VanDerWaalsContact OE2-CE 3.3Å; E34-K52 WeakPolarHBondContact OE2-CE 3.35Å; V48-K52 HydrophobicContact CG1-CD 4.15Å; V48-K52 WeakPolarHBondContact O-CG 3.25Å; V48-K52 PolarHBondContact O-N 2.77Å; D49-K52 PolarHBondContact O-N 3.33Å; E50-K52 PolarHBondContact O-N 3.28Å; K52-G55 PolarHBondContact O-N 3.48Å; K52-S56 PolarHBondContact O-N 3.47Å
53K94.6Very high93.5Very high81 Ų8156.2 Ų56.235%0.35232%0.324SS..Hα-helixtrans-64.8-42.2179.4-16758165.6173.70111.6D49 E50 I51 S56 S61 F62D49-K53 WeakPolarHBondContact O-CB 3.45Å; D49-K53 PolarHBondContact O-N 2.8Å; E50-K53 PolarHBondContact O-N 3.21Å; I51-K53 VanDerWaalsContact C-N 3.29Å; I51-K53 PolarHBondContact O-N 2.98Å; K53-S56 VanDerWaalsContact O-CB 3.25Å; K53-S56 WeakPolarHBondContact O-CB 3.31Å; K53-S56 PolarHBondContact O-N 2.92Å; K53-S61 WeakPolarHBondContact CE-OG 3.22Å; K53-S61 PolarHBondContact NZ-OG 2.91Å; K53-F62 HydrophobicContact CD-CE1 3.9Å; K53-F62 HydrophobicContact CG-CE1 3.72Å; K53-F62 HydrophobicContact CG-CZ 4.15Å; K53-F62 WeakPolarHBondContact O-CZ 3.32Å
54L95.1Very high93.1Very high1 Ų163.7 Ų63.71%0.00536%0.358CS..Hα-helixtrans-68-38.5175.8-66.9173.5000112.8E50 I51 S56 V67 I69 V106 V113 I115E50-L54 VanDerWaalsContact O-CG 3.29Å; E50-L54 WeakPolarHBondContact O-CG 3.21Å; E50-L54 PolarHBondContact O-N 3.41Å; I51-L54 PolarHBondContact O-N 2.52Å; L54-S56 VanDerWaalsContact C-N 3.26Å; L54-S56 PolarHBondContact O-N 3.29Å; L54-V67 HydrophobicContact CD2-CG1 3.66Å; L54-I69 HydrophobicContact CD1-CD1 3.68Å; L54-I69 HydrophobicContact CD2-CD1 3.92Å; L54-I69 HydrophobicContact CG-CD1 4.31Å; L54-V106 HydrophobicContact CD1-CG1 4.38Å; L54-V106 HydrophobicContact CD2-CG1 4.25Å; L54-V106 HydrophobicContact CD2-CG2 4.33Å; L54-V113 HydrophobicContact CB-CG1 4.35Å; L54-V113 HydrophobicContact CB-CG2 4.44Å; L54-V113 HydrophobicContact CD1-CG2 4.48Å; L54-I115 HydrophobicContact CD1-CD1 3.79Å; L54-I115 HydrophobicContact CD1-CG1 4.46Å
55G93.1Very high92.9Very high18 Ų1862.3 Ų62.319%0.18636%0.355CS..Hα-helixtrans-72.4-18176.600000114I51 K52 K108I51-G55 PolarHBondContact O-N 3.44Å; K52-G55 PolarHBondContact O-N 3.48Å; G55-K108 WeakPolarHBondContact O-CE 3.12Å; G55-K108 PolarHBondContact O-NZ 2.82Å
56S90.8Very high92.8Very high36 Ų3660.1 Ų60.125%0.25233%0.333SS..  trans-58.3148.8-178.8-177.40000113.1K52 K53 L54 D58 R59 K108K52-S56 PolarHBondContact O-N 3.47Å; K53-S56 VanDerWaalsContact O-CB 3.25Å; K53-S56 WeakPolarHBondContact O-CB 3.31Å; K53-S56 PolarHBondContact O-N 2.92Å; L54-S56 VanDerWaalsContact C-N 3.26Å; L54-S56 PolarHBondContact O-N 3.29Å; S56-D58 PolarHBondContact OG-N 2.91Å; S56-D58 PolarHBondContact OG-O 3.2Å; S56-R59 PolarHBondContact O-NH1 3.08Å; S56-K108 PolarHBondContact O-NZ 3.34Å
57K87.9Confident92.6Very high179 Ų17959.9 Ų59.978%0.77833%0.332SS*.SBendtrans-79.1-32.3165.8-69.3-170.6176.9-1760111.8R59K57-R59 PolarHBondContact O-N 2.94Å; K57-R59 PolarHBondContact O-NH1 2.95Å
58D89.9Confident92.5Very high88 Ų8862.7 Ų62.747%0.47134%0.336SS..  trans-82.5112.8175175.827000110.7S56 S60S56-D58 PolarHBondContact OG-N 2.91Å; S56-D58 PolarHBondContact OG-O 3.2Å; D58-S60 VanDerWaalsContact OD1-CB 3.3Å; D58-S60 WeakPolarHBondContact OD1-CB 3.02Å; D58-S60 PolarHBondContact OD1-N 3.25Å; D58-S60 PolarHBondContact OD1-OG 3.2Å
59R92Very high92.5Very high27 Ų2759.8 Ų59.810%0.10232%0.318CS..  trans-122.112.7176.8-61.6-177.3-59.9-75.7-4.9112.7S56 K57 S61 F62 D79 D82S56-R59 PolarHBondContact O-NH1 3.08Å; K57-R59 PolarHBondContact O-N 2.94Å; K57-R59 PolarHBondContact O-NH1 2.95Å; R59-S61 PolarHBondContact O-N 2.88Å; R59-F62 HydrophobicContact CB-CD1 4.1Å; R59-F62 HydrophobicContact CB-CD2 3.95Å; R59-F62 HydrophobicContact CB-CE1 4.18Å; R59-F62 HydrophobicContact CB-CE2 4.09Å; R59-F62 HydrophobicContact CB-CG 3.98Å; R59-F62 HydrophobicContact CB-CZ 4.21Å; R59-F62 HydrophobicContact CG-CD1 4.47Å; R59-F62 HydrophobicContact CG-CD2 4.13Å; R59-F62 HydrophobicContact CG-CE1 4.06Å; R59-F62 HydrophobicContact CG-CE2 3.74Å; R59-F62 HydrophobicContact CG-CZ 3.71Å; R59-F62 VanDerWaalsContact O-CB 3.29Å; R59-F62 WeakPolarHBondContact O-CB 3.45Å; R59-F62 PolarHBondContact O-N 2.85Å; R59-D79 IonicContact CZ-OD1 3.26Å; R59-D79 IonicContact CZ-OD2 2.66Å; R59-D79 IonicContact NE-OD1 2.83Å; R59-D79 PolarHBondContact NE-OD1 3.39Å; R59-D79 IonicContact NE-OD2 3.77Å; R59-D79 PolarHBondContact NE-OD2 2.8Å; R59-D79 IonicContact NH2-OD1 3.42Å; R59-D79 IonicContact NH2-OD2 3.34Å; R59-D79 PolarHBondContact NH2-OD2 3.33Å; R59-D82 IonicContact CZ-OD2 3.55Å; R59-D82 VanDerWaalsContact CZ-OD2 3.26Å; R59-D82 IonicContact NH1-OD1 2.98Å; R59-D82 IonicContact NH1-OD2 3.9Å; R59-D82 PolarHBondContact NH1-OD2 2.81Å; R59-D82 IonicContact NH2-OD2 3.56Å; R59-D82 PolarHBondContact NH2-OD2 3.17Å
60S89.2Confident92.5Very high89 Ų8955.4 Ų55.462%0.62230%0.3SS*.THydrogen-bonded Turntrans-54.3-40.2-179.2580000113.1D58 F62D58-S60 VanDerWaalsContact OD1-CB 3.3Å; D58-S60 WeakPolarHBondContact OD1-CB 3.02Å; D58-S60 PolarHBondContact OD1-N 3.25Å; D58-S60 PolarHBondContact OD1-OG 3.2Å; S60-F62 VanDerWaalsContact C-N 3.28Å; S60-F62 PolarHBondContact O-N 3.39Å
61S89.5Confident92.4Very high22 Ų2257.1 Ų57.115%0.15432%0.324CS..THydrogen-bonded Turntrans-69-15.5177.957.30000115.4K53 R59 A63 Q64 N65K53-S61 WeakPolarHBondContact CE-OG 3.22Å; K53-S61 PolarHBondContact NZ-OG 2.91Å; R59-S61 PolarHBondContact O-N 2.88Å; S61-A63 VanDerWaalsContact C-N 3.34Å; S61-A63 PolarHBondContact O-N 3.26Å; S61-Q64 PolarHBondContact O-N 2.99Å; S61-N65 WeakPolarHBondContact O-CB 3.41Å; S61-N65 PolarHBondContact O-N 3.41Å
62F92Very high92.3Very high0 Ų059.7 Ų59.70%034%0.34CS..Hα-helixtrans-65.7-38-171.1-76.422.3000112K53 R59 S60 G66 V67 L76 L89K53-F62 HydrophobicContact CD-CE1 3.9Å; K53-F62 HydrophobicContact CG-CE1 3.72Å; K53-F62 HydrophobicContact CG-CZ 4.15Å; K53-F62 WeakPolarHBondContact O-CZ 3.32Å; R59-F62 HydrophobicContact CB-CD1 4.1Å; R59-F62 HydrophobicContact CB-CD2 3.95Å; R59-F62 HydrophobicContact CB-CE1 4.18Å; R59-F62 HydrophobicContact CB-CE2 4.09Å; R59-F62 HydrophobicContact CB-CG 3.98Å; R59-F62 HydrophobicContact CB-CZ 4.21Å; R59-F62 HydrophobicContact CG-CD1 4.47Å; R59-F62 HydrophobicContact CG-CD2 4.13Å; R59-F62 HydrophobicContact CG-CE1 4.06Å; R59-F62 HydrophobicContact CG-CE2 3.74Å; R59-F62 HydrophobicContact CG-CZ 3.71Å; R59-F62 VanDerWaalsContact O-CB 3.29Å; R59-F62 WeakPolarHBondContact O-CB 3.45Å; R59-F62 PolarHBondContact O-N 2.85Å; S60-F62 VanDerWaalsContact C-N 3.28Å; S60-F62 PolarHBondContact O-N 3.39Å; F62-G66 WeakPolarHBondContact O-CA 3.29Å; F62-G66 PolarHBondContact O-N 3.45Å; F62-V67 HydrophobicContact CB-CG2 3.82Å; F62-V67 HydrophobicContact CD1-CG2 3.88Å; F62-V67 HydrophobicContact CD2-CG2 3.25Å; F62-V67 HydrophobicContact CE1-CG2 4.24Å; F62-V67 HydrophobicContact CE2-CG1 4.44Å; F62-V67 HydrophobicContact CE2-CG2 3.63Å; F62-V67 HydrophobicContact CG-CG2 3.37Å; F62-V67 HydrophobicContact CZ-CG2 4.1Å; F62-L76 HydrophobicContact CB-CD2 4.06Å; F62-L89 HydrophobicContact CD2-CD2 4.3Å; F62-L89 HydrophobicContact CE2-CD2 3.9Å
63A88.3Confident92.3Very high80 Ų8061.1 Ų61.166%0.66134%0.342SS*.Hα-helixtrans-68.7-34.9-18000000112.6S61 L76S61-A63 VanDerWaalsContact C-N 3.34Å; S61-A63 PolarHBondContact O-N 3.26Å; A63-L76 HydrophobicContact CB-CD2 4.49Å
64Q88.9Confident92.4Very high162 Ų16257.3 Ų57.376%0.75733%0.326SS*.Hα-helixtrans-87.9-46.2-176.3-64.9179.11.500112.2S61S61-Q64 PolarHBondContact O-N 2.99Å
65N88.3Confident92.5Very high99 Ų9965.1 Ų65.153%0.52936%0.356SS..Hα-helixtrans-95.8-18.8-172.1-62.4-20.9000112.3S61 R73S61-N65 WeakPolarHBondContact O-CB 3.41Å; S61-N65 PolarHBondContact O-N 3.41Å; N65-R73 PolarHBondContact O-NE 2.85Å; N65-R73 PolarHBondContact O-NH2 3.14Å
66G90.5Very high92.6Very high14 Ų1466.5 Ų66.514%0.14436%0.358CS..  trans78.4-176.4-166.600000111.9F62 C74F62-G66 WeakPolarHBondContact O-CA 3.29Å; F62-G66 PolarHBondContact O-N 3.45Å; G66-C74 CarbonylContact C-O 3.54Å; G66-C74 VanDerWaalsContact CA-O 3.29Å; G66-C74 WeakPolarHBondContact CA-O 3.33Å
67V94.4Very high92.9Very high6 Ų669.2 Ų69.24%0.03637%0.369CS..EExtended strand (participates in β ladder)trans-128147.3178-172.90000107.9L54 F62 I69 R73 C74 L91L54-V67 HydrophobicContact CD2-CG1 3.66Å; F62-V67 HydrophobicContact CB-CG2 3.82Å; F62-V67 HydrophobicContact CD1-CG2 3.88Å; F62-V67 HydrophobicContact CD2-CG2 3.25Å; F62-V67 HydrophobicContact CE1-CG2 4.24Å; F62-V67 HydrophobicContact CE2-CG1 4.44Å; F62-V67 HydrophobicContact CE2-CG2 3.63Å; F62-V67 HydrophobicContact CG-CG2 3.37Å; F62-V67 HydrophobicContact CZ-CG2 4.1Å; V67-I69 HydrophobicContact CG1-CD1 4.31Å; V67-R73 CarbonylContact O-C 3.49Å; V67-C74 PolarHBondContact N-O 3.34Å; V67-C74 WeakPolarHBondContact O-CA 3.25Å; V67-C74 WeakPolarHBondContact O-CB 3.35Å; V67-C74 PolarHBondContact O-N 3.38Å; V67-L91 HydrophobicContact CB-CD1 4.28Å; V67-L91 HydrophobicContact CG1-CD1 4.46Å; V67-L91 HydrophobicContact CG2-CD2 4.34Å
68Y95.8Very high93.2Very high110 Ų11066.9 Ų66.943%0.43136%0.355SS..EExtended strand (participates in β ladder)trans-106.6137.7174.5-70.2-100.3000109.9E50 T72 R73E50-Y68 WeakPolarHBondContact CG-O 3.17Å; E50-Y68 VanDerWaalsContact OE1-CB 3.23Å; E50-Y68 WeakPolarHBondContact OE1-CB 3.23Å; Y68-T72 WeakPolarHBondContact CA-O 3.33Å; Y68-R73 HydrophobicContact CD1-CB 4.04Å; Y68-R73 HydrophobicContact CE1-CB 3.57Å; Y68-R73 HydrophobicContact CE1-CG 4Å; Y68-R73 HydrophobicContact CE2-CG 4.2Å
69I96.7Very high93.4Very high7 Ų765.2 Ų65.24%0.03635%0.346CS..EExtended strand (participates in β ladder)trans-129.5107.5176-53.9-67.3000107.1L43 I46 E50 L54 V67 G71 T72 L91 V104 V106 I115L43-I69 HydrophobicContact CD2-CG2 3.86Å; I46-I69 HydrophobicContact CD1-CG2 4.43Å; E50-I69 PolarHBondContact OE1-N 2.93Å; L54-I69 HydrophobicContact CD1-CD1 3.68Å; L54-I69 HydrophobicContact CD2-CD1 3.92Å; L54-I69 HydrophobicContact CG-CD1 4.31Å; V67-I69 HydrophobicContact CG1-CD1 4.31Å; I69-G71 VanDerWaalsContact C-N 3.27Å; I69-G71 PolarHBondContact O-N 2.77Å; I69-T72 PolarHBondContact N-O 2.78Å; I69-T72 WeakPolarHBondContact O-CB 3.35Å; I69-T72 PolarHBondContact O-N 3.41Å; I69-L91 HydrophobicContact CD1-CD1 4.23Å; I69-L91 HydrophobicContact CG1-CD1 4.08Å; I69-V104 HydrophobicContact CG1-CG1 4.42Å; I69-V106 HydrophobicContact CD1-CG2 4.16Å; I69-I115 HydrophobicContact CG2-CG2 3.96Å
70G95.3Very high93.6Very high26 Ų2666.8 Ų66.827%0.26836%0.355SS..THydrogen-bonded Turntrans58.640.6-178.300000112E50 T72E50-G70 PolarHBondContact OE1-N 2.8Å; E50-G70 VanDerWaalsContact OE1-N 3.07Å; E50-G70 PolarHBondContact OE2-N 3.4Å; G70-T72 PolarHBondContact O-N 2.81Å
71G94.5Very high93.8Very high57 Ų5762.6 Ų62.659%0.58833%0.325SS*.THydrogen-bonded Turntrans77.1-5.9-176.800000115.2E50 I69E50-G71 PolarHBondContact OE1-N 3.43Å; I69-G71 VanDerWaalsContact C-N 3.27Å; I69-G71 PolarHBondContact O-N 2.77Å
72T95.4Very high93.9Very high56 Ų5666 Ų6634%0.34434%0.342SS..EExtended strand (participates in β ladder)trans-89.2119.2177.4-56.80000110.7Y68 I69 G70 C74 T93Y68-T72 WeakPolarHBondContact CA-O 3.33Å; I69-T72 PolarHBondContact N-O 2.78Å; I69-T72 WeakPolarHBondContact O-CB 3.35Å; I69-T72 PolarHBondContact O-N 3.41Å; G70-T72 PolarHBondContact O-N 2.81Å; T72-C74 PolarHBondContact O-N 3.48Å; T72-C74 PolarHBondContact O-SG 2.81Å; T72-C74 VanDerWaalsContact O-SG 3.32Å; T72-T93 HydrophobicContact CG2-CG2 4.02Å
73R96.1Very high94Very high125 Ų12571.2 Ų71.247%0.47237%0.368SS..EExtended strand (participates in β ladder)trans-63.9135.1173.8-165.9177.4-175.5-171.2-0.9110.2N65 V67 Y68 T93 A94N65-R73 PolarHBondContact O-NE 2.85Å; N65-R73 PolarHBondContact O-NH2 3.14Å; V67-R73 CarbonylContact O-C 3.49Å; Y68-R73 HydrophobicContact CD1-CB 4.04Å; Y68-R73 HydrophobicContact CE1-CB 3.57Å; Y68-R73 HydrophobicContact CE1-CG 4Å; Y68-R73 HydrophobicContact CE2-CG 4.2Å; R73-T93 CarbonylContact O-C 3.5Å; R73-A94 HydrophobicContact CB-CB 4.4Å; R73-A94 WeakPolarHBondContact O-CB 3.47Å; R73-A94 PolarHBondContact O-N 3.04Å
74C97.1Very high94.1Very high2 Ų275 Ų751%0.01437%0.372CS..EExtended strand (participates in β ladder)trans-130.8137.4-178.6-61.70000110.1G66 V67 T72 L91 K92G66-C74 CarbonylContact C-O 3.54Å; G66-C74 VanDerWaalsContact CA-O 3.29Å; G66-C74 WeakPolarHBondContact CA-O 3.33Å; V67-C74 PolarHBondContact N-O 3.34Å; V67-C74 WeakPolarHBondContact O-CA 3.25Å; V67-C74 WeakPolarHBondContact O-CB 3.35Å; V67-C74 PolarHBondContact O-N 3.38Å; T72-C74 PolarHBondContact O-N 3.48Å; T72-C74 PolarHBondContact O-SG 2.81Å; T72-C74 VanDerWaalsContact O-SG 3.32Å; C74-L91 HydrophobicContact CB-CB 3.99Å; C74-L91 HydrophobicContact CB-CD1 3.92Å; C74-L91 HydrophobicContact CB-CG 4.44Å; C74-K92 CarbonylContact C-O 3.59Å; C74-K92 VanDerWaalsContact CA-O 3.26Å; C74-K92 WeakPolarHBondContact CA-O 3.2Å
75R96.6Very high94.1Very high165 Ų16571.3 Ų71.362%0.62336%0.362SS*.EExtended strand (participates in β ladder)trans-89.3141.4171.768.3178.2-175.4-173.11.1110.2I77 L91 K92R75-I77 HydrophobicContact CG-CD1 4.03Å; R75-L91 CarbonylContact O-C 3.52Å; R75-L91 WeakPolarHBondContact O-CA 3.48Å; R75-K92 HydrophobicContact CG-CB 3.91Å; R75-K92 PolarHBondContact N-O 2.85Å; R75-K92 PolarHBondContact O-N 2.88Å
76L96.3Very high94.2Very high46 Ų4668.7 Ų68.724%0.24135%0.35CS..EExtended strand (participates in β ladder)trans-71.3128.4172.7-175.565000110.2F62 A63 R78 D79 L89 L91F62-L76 HydrophobicContact CB-CD2 4.06Å; A63-L76 HydrophobicContact CB-CD2 4.49Å; L76-R78 WeakPolarHBondContact CD1-O 3.49Å; L76-D79 HydrophobicContact CD1-CB 4.27Å; L76-D79 HydrophobicContact CD2-CB 4.24Å; L76-L89 HydrophobicContact CD1-CB 4.33Å; L76-L89 HydrophobicContact CD1-CD1 4.25Å; L76-L91 HydrophobicContact CB-CD2 4.26Å; L76-L91 HydrophobicContact CD1-CD2 3.75Å
77I95.9Very high94.5Very high94 Ų9470 Ų7048%0.48235%0.35SS..EExtended strand (participates in β ladder)trans-101.1-43.5172.7-55.8-59.3000109.7R75 D90 K92R75-I77 HydrophobicContact CG-CD1 4.03Å; I77-D90 WeakPolarHBondContact CA-O 3.37Å; I77-D90 HydrophobicContact CB-CB 4.35Å; I77-D90 WeakPolarHBondContact CB-O 3.44Å; I77-D90 PolarHBondContact N-O 3.35Å; I77-K92 HydrophobicContact CD1-CB 3.92Å; I77-K92 HydrophobicContact CG1-CB 4.05Å
78R94.4Very high94.6Very high129 Ų12970.1 Ų70.149%0.48735%0.352SS..EExtended strand (participates in β ladder)trans-153.8137-177-168.8-171.9-61.2157.4-2.5110.1L76 Q80 L89 D90L76-R78 WeakPolarHBondContact CD1-O 3.49Å; R78-Q80 HydrophobicContact CG-CG 4.11Å; R78-L89 CarbonylContact O-C 3.55Å; R78-L89 VanDerWaalsContact O-CA 3.27Å; R78-L89 WeakPolarHBondContact O-CA 3.4Å; R78-L89 WeakPolarHBondContact O-CB 3.28Å; R78-D90 HydrophobicContact CB-CB 4.24Å; R78-D90 IonicContact CZ-OD2 3.79Å; R78-D90 PolarHBondContact N-O 3Å; R78-D90 IonicContact NE-OD2 3.97Å; R78-D90 IonicContact NH1-OD2 3.31Å; R78-D90 PolarHBondContact NH1-OD2 2.91Å; R78-D90 PolarHBondContact O-N 3.07Å
79D95.1Very high94.6Very high53 Ų5364.9 Ų64.928%0.28333%0.332SS..EExtended strand (participates in β ladder)trans-116.5114.3170-174.9-0.6000109.9R59 L76 M81R59-D79 IonicContact CZ-OD1 3.26Å; R59-D79 IonicContact CZ-OD2 2.66Å; R59-D79 IonicContact NE-OD1 2.83Å; R59-D79 PolarHBondContact NE-OD1 3.39Å; R59-D79 IonicContact NE-OD2 3.77Å; R59-D79 PolarHBondContact NE-OD2 2.8Å; R59-D79 IonicContact NH2-OD1 3.42Å; R59-D79 IonicContact NH2-OD2 3.34Å; R59-D79 PolarHBondContact NH2-OD2 3.33Å; L76-D79 HydrophobicContact CD1-CB 4.27Å; L76-D79 HydrophobicContact CD2-CB 4.24Å; D79-M81 WeakPolarHBondContact OD1-CB 3.36Å; D79-M81 PolarHBondContact OD1-N 2.77Å
80Q94.9Very high94.7Very high60 Ų6065.6 Ų65.628%0.2834%0.335SS..EExtended strand (participates in β ladder)trans-131.426.5171.3-66.8-177.8-5.900110.2R78 D82 M83 V86 Y87 A88R78-Q80 HydrophobicContact CG-CG 4.11Å; Q80-D82 VanDerWaalsContact C-N 3.25Å; Q80-D82 PolarHBondContact O-N 2.97Å; Q80-M83 HydrophobicContact CB-CB 4.25Å; Q80-M83 HydrophobicContact CB-CG 4.44Å; Q80-M83 HydrophobicContact CB-SD 4.25Å; Q80-M83 HydrophobicContact CG-SD 3.9Å; Q80-M83 PolarHBondContact O-N 3.34Å; Q80-M83 VanDerWaalsContact O-N 3.08Å; Q80-V86 HydrophobicContact CB-CB 4.11Å; Q80-V86 HydrophobicContact CB-CG1 3.87Å; Q80-Y87 PolarHBondContact O-N 3.14Å; Q80-A88 CarbonylContact C-O 3.49Å; Q80-A88 VanDerWaalsContact CA-O 3.27Å; Q80-A88 WeakPolarHBondContact CA-O 3.38Å; Q80-A88 WeakPolarHBondContact CB-O 3.38Å; Q80-A88 PolarHBondContact N-O 2.88Å; Q80-A88 PolarHBondContact O-N 3.23Å
81M94.4Very high94.8Very high1 Ų164.6 Ų64.61%0.00532%0.324CS..THydrogen-bonded Turntrans-68.7-24.1-169.4-174.9159.4-83.400113.7D79 Y87 A88 L89 V106 K108D79-M81 WeakPolarHBondContact OD1-CB 3.36Å; D79-M81 PolarHBondContact OD1-N 2.77Å; M81-Y87 WeakPolarHBondContact O-CA 3.2Å; M81-A88 PolarHBondContact N-O 3.35Å; M81-A88 VanDerWaalsContact N-O 3.1Å; M81-L89 HydrophobicContact CB-CD2 4.39Å; M81-L89 HydrophobicContact CE-CB 4.32Å; M81-L89 HydrophobicContact CE-CD2 3.44Å; M81-L89 VanDerWaalsContact CE-CD2 3.44Å; M81-L89 HydrophobicContact CE-CG 3.61Å; M81-L89 HydrophobicContact SD-CD2 3.69Å; M81-L89 HydrophobicContact SD-CG 4.48Å; M81-V106 HydrophobicContact CE-CB 4.15Å; M81-V106 HydrophobicContact CE-CG1 3.91Å; M81-V106 WeakPolarHBondContact CE-O 3.21Å; M81-K108 HydrophobicContact CE-CB 3.93Å; M81-K108 HydrophobicContact CG-CB 3.62Å; M81-K108 HydrophobicContact CG-CD 3.7Å; M81-K108 HydrophobicContact CG-CG 4.32Å; M81-K108 HydrophobicContact SD-CB 3.8Å; M81-K108 HydrophobicContact SD-CD 3.77Å; M81-K108 HydrophobicContact SD-CG 4.38Å
82D91.8Very high94.9Very high93 Ų9364.3 Ų64.350%0.49731%0.306SS..THydrogen-bonded Turntrans-105.16.7175.1-63.7-41.4000112.8R59 Q80R59-D82 IonicContact CZ-OD2 3.55Å; R59-D82 VanDerWaalsContact CZ-OD2 3.26Å; R59-D82 IonicContact NH1-OD1 2.98Å; R59-D82 IonicContact NH1-OD2 3.9Å; R59-D82 PolarHBondContact NH1-OD2 2.81Å; R59-D82 IonicContact NH2-OD2 3.56Å; R59-D82 PolarHBondContact NH2-OD2 3.17Å; Q80-D82 VanDerWaalsContact C-N 3.25Å; Q80-D82 PolarHBondContact O-N 2.97Å
83M93.2Very high95Very high111 Ų11162 Ų6255%0.54729%0.293SS..SBendtrans-94.9123.5178-64-173.4-172.800110.8Q80 V86 Y87Q80-M83 HydrophobicContact CB-CB 4.25Å; Q80-M83 HydrophobicContact CB-CG 4.44Å; Q80-M83 HydrophobicContact CB-SD 4.25Å; Q80-M83 HydrophobicContact CG-SD 3.9Å; Q80-M83 PolarHBondContact O-N 3.34Å; Q80-M83 VanDerWaalsContact O-N 3.08Å; M83-V86 PolarHBondContact O-N 3.37Å; M83-Y87 PolarHBondContact O-N 3.23Å
84E89.8Confident95Very high158 Ų15858.5 Ų58.574%0.73829%0.29SS*.THydrogen-bonded Turntrans-75.2137.4168.6-170.1170.7175.600110.1Y87E84-Y87 HydrophobicContact CB-CE1 4.49Å; E84-Y87 HydrophobicContact CB-CE2 4.31Å; E84-Y87 WeakPolarHBondContact CB-OH 3.34Å; E84-Y87 HydrophobicContact CG-CE2 4.09Å; E84-Y87 WeakPolarHBondContact CG-OH 3.33Å
85P88.9Confident95Very high85 Ų8561.4 Ų61.455%0.55231%0.314SS*.THydrogen-bonded Turncis-925.60.736.5-35.9000115.1Y87 F132P85-Y87 VanDerWaalsContact O-CD2 3.28Å; P85-Y87 WeakPolarHBondContact O-CD2 3.46Å; P85-F132 WeakPolarHBondContact O-CE2 3.37Å
86V92Very high94.8Very high45 Ų4556.5 Ų56.527%0.27330%0.301SS..THydrogen-bonded Turntrans-71.4-52.2-164.2-175.70000113Q80 M83 A88Q80-V86 HydrophobicContact CB-CB 4.11Å; Q80-V86 HydrophobicContact CB-CG1 3.87Å; M83-V86 PolarHBondContact O-N 3.37Å; V86-A88 HydrophobicContact CG1-CB 4.14Å; V86-A88 PolarHBondContact O-N 3.03Å; V86-A88 VanDerWaalsContact O-N 3.09Å
87Y96.1Very high94.5Very high41 Ų4159.8 Ų59.816%0.16133%0.334CS..  trans47.835.1-178.2-55.2-69.2000115.3Q80 M81 M83 E84 P85 G107 K108 R139Q80-Y87 PolarHBondContact O-N 3.14Å; M81-Y87 WeakPolarHBondContact O-CA 3.2Å; M83-Y87 PolarHBondContact O-N 3.23Å; E84-Y87 HydrophobicContact CB-CE1 4.49Å; E84-Y87 HydrophobicContact CB-CE2 4.31Å; E84-Y87 WeakPolarHBondContact CB-OH 3.34Å; E84-Y87 HydrophobicContact CG-CE2 4.09Å; E84-Y87 WeakPolarHBondContact CG-OH 3.33Å; P85-Y87 VanDerWaalsContact O-CD2 3.28Å; P85-Y87 WeakPolarHBondContact O-CD2 3.46Å; Y87-G107 CarbonylContact O-C 3.59Å; Y87-G107 WeakPolarHBondContact O-CA 3.35Å; Y87-K108 PolarHBondContact O-N 3.49Å; Y87-R139 VanDerWaalsContact CE1-NH2 3.34Å; Y87-R139 VanDerWaalsContact CE2-NE 3.28Å
88A96.8Very high94.4Very high9 Ų962.9 Ų62.97%0.07435%0.347CS..EExtended strand (participates in β ladder)trans-138.4159-177.800000112.7Q80 M81 V86 V106Q80-A88 CarbonylContact C-O 3.49Å; Q80-A88 VanDerWaalsContact CA-O 3.27Å; Q80-A88 WeakPolarHBondContact CA-O 3.38Å; Q80-A88 WeakPolarHBondContact CB-O 3.38Å; Q80-A88 PolarHBondContact N-O 2.88Å; Q80-A88 PolarHBondContact O-N 3.23Å; M81-A88 PolarHBondContact N-O 3.35Å; M81-A88 VanDerWaalsContact N-O 3.1Å; V86-A88 HydrophobicContact CG1-CB 4.14Å; V86-A88 PolarHBondContact O-N 3.03Å; V86-A88 VanDerWaalsContact O-N 3.09Å; A88-V106 CarbonylContact C-O 3.47Å; A88-V106 WeakPolarHBondContact CA-O 3.04Å
89L96.4Very high94.4Very high0 Ų059.1 Ų59.10%035%0.348CS..EExtended strand (participates in β ladder)trans-127.8146.4168.366.387000109.4F62 L76 R78 M81 L91 V106F62-L89 HydrophobicContact CD2-CD2 4.3Å; F62-L89 HydrophobicContact CE2-CD2 3.9Å; L76-L89 HydrophobicContact CD1-CB 4.33Å; L76-L89 HydrophobicContact CD1-CD1 4.25Å; R78-L89 CarbonylContact O-C 3.55Å; R78-L89 VanDerWaalsContact O-CA 3.27Å; R78-L89 WeakPolarHBondContact O-CA 3.4Å; R78-L89 WeakPolarHBondContact O-CB 3.28Å; M81-L89 HydrophobicContact CB-CD2 4.39Å; M81-L89 HydrophobicContact CE-CB 4.32Å; M81-L89 HydrophobicContact CE-CD2 3.44Å; M81-L89 VanDerWaalsContact CE-CD2 3.44Å; M81-L89 HydrophobicContact CE-CG 3.61Å; M81-L89 HydrophobicContact SD-CD2 3.69Å; M81-L89 HydrophobicContact SD-CG 4.48Å; L89-L91 HydrophobicContact CD1-CD1 3.86Å; L89-L91 HydrophobicContact CD1-CD2 3.41Å; L89-L91 VanDerWaalsContact CD1-CD2 3.41Å; L89-L91 HydrophobicContact CD1-CG 3.45Å; L89-L91 VanDerWaalsContact CD1-CG 3.45Å; L89-V106 HydrophobicContact CD1-CB 4.09Å; L89-V106 HydrophobicContact CD1-CG2 4.24Å; L89-V106 HydrophobicContact CG-CB 4.14Å; L89-V106 PolarHBondContact N-O 3.49Å; L89-V106 PolarHBondContact O-N 3.03Å
90D97.5Very high94.4Very high22 Ų2257.7 Ų57.712%0.11834%0.34CS..EExtended strand (participates in β ladder)trans-110.1133.7-178.6-58.9-51.8000109.2I77 R78 C105 S128I77-D90 WeakPolarHBondContact CA-O 3.37Å; I77-D90 HydrophobicContact CB-CB 4.35Å; I77-D90 WeakPolarHBondContact CB-O 3.44Å; I77-D90 PolarHBondContact N-O 3.35Å; R78-D90 HydrophobicContact CB-CB 4.24Å; R78-D90 IonicContact CZ-OD2 3.79Å; R78-D90 PolarHBondContact N-O 3Å; R78-D90 IonicContact NE-OD2 3.97Å; R78-D90 IonicContact NH1-OD2 3.31Å; R78-D90 PolarHBondContact NH1-OD2 2.91Å; R78-D90 PolarHBondContact O-N 3.07Å; D90-C105 PolarHBondContact OD1-SG 3.39Å; D90-S128 PolarHBondContact OD1-OG 2.89Å
91L97.7Very high94.4Very high5 Ų557.4 Ų57.43%0.02634%0.343CS..EExtended strand (participates in β ladder)trans-126.5163.4-178.5-52.6175.1000110.5V67 I69 C74 R75 L76 L89 V104 V106V67-L91 HydrophobicContact CB-CD1 4.28Å; V67-L91 HydrophobicContact CG1-CD1 4.46Å; V67-L91 HydrophobicContact CG2-CD2 4.34Å; I69-L91 HydrophobicContact CD1-CD1 4.23Å; I69-L91 HydrophobicContact CG1-CD1 4.08Å; C74-L91 HydrophobicContact CB-CB 3.99Å; C74-L91 HydrophobicContact CB-CD1 3.92Å; C74-L91 HydrophobicContact CB-CG 4.44Å; R75-L91 CarbonylContact O-C 3.52Å; R75-L91 WeakPolarHBondContact O-CA 3.48Å; L76-L91 HydrophobicContact CB-CD2 4.26Å; L76-L91 HydrophobicContact CD1-CD2 3.75Å; L89-L91 HydrophobicContact CD1-CD1 3.86Å; L89-L91 HydrophobicContact CD1-CD2 3.41Å; L89-L91 VanDerWaalsContact CD1-CD2 3.41Å; L89-L91 HydrophobicContact CD1-CG 3.45Å; L89-L91 VanDerWaalsContact CD1-CG 3.45Å; L91-V104 HydrophobicContact CB-CB 4.13Å; L91-V104 HydrophobicContact CD1-CG1 4.44Å; L91-V104 PolarHBondContact N-O 2.87Å; L91-V104 PolarHBondContact O-N 3.41Å; L91-V106 HydrophobicContact CD1-CG2 4.16Å
92K97.4Very high94.6Very high50 Ų5058.8 Ų58.822%0.21735%0.349CS..EExtended strand (participates in β ladder)trans-129.1132166.8-167.884.8-173.3175.20108.7C74 R75 I77 T101 F102C74-K92 CarbonylContact C-O 3.59Å; C74-K92 VanDerWaalsContact CA-O 3.26Å; C74-K92 WeakPolarHBondContact CA-O 3.2Å; R75-K92 HydrophobicContact CG-CB 3.91Å; R75-K92 PolarHBondContact N-O 2.85Å; R75-K92 PolarHBondContact O-N 2.88Å; I77-K92 HydrophobicContact CD1-CB 3.92Å; I77-K92 HydrophobicContact CG1-CB 4.05Å; K92-T101 VanDerWaalsContact CE-C 3.43Å; K92-T101 VanDerWaalsContact CE-CB 3.42Å; K92-T101 VanDerWaalsContact CE-O 3.27Å; K92-T101 WeakPolarHBondContact CE-O 3.18Å; K92-T101 WeakPolarHBondContact CE-OG1 3.11Å; K92-T101 PolarHBondContact NZ-O 2.83Å; K92-F102 WeakPolarHBondContact CA-O 3.43Å; K92-F102 WeakPolarHBondContact CD-O 3.26Å
93T97.6Very high94.9Very high9 Ų954.8 Ų54.86%0.05533%0.33CS..EExtended strand (participates in β ladder)trans-64.1155.3177.268.60000110.9T72 R73 F102 V104T72-T93 HydrophobicContact CG2-CG2 4.02Å; R73-T93 CarbonylContact O-C 3.5Å; T93-F102 HydrophobicContact CG2-CB 4.07Å; T93-F102 PolarHBondContact N-O 3.42Å; T93-F102 PolarHBondContact OG1-N 3.03Å; T93-V104 HydrophobicContact CG2-CG2 3.75Å
94A95.9Very high95.2Very high51 Ų5149.7 Ų49.742%0.42131%0.305SS..PPolyproline II helixtrans-56.1159.3155.500000109.7R73R73-A94 HydrophobicContact CB-CB 4.4Å; R73-A94 WeakPolarHBondContact O-CB 3.47Å; R73-A94 PolarHBondContact O-N 3.04Å
95A95.6Very high95.6Very high63 Ų6342.2 Ų42.252%0.52127%0.27SS..PPolyproline II helixtrans-64.1137.3175.900000110.2N100 T101A95-N100 CarbonylContact C-O 3.54Å; A95-N100 VanDerWaalsContact CA-O 3.29Å; A95-N100 WeakPolarHBondContact CA-O 3.42Å; A95-T101 HydrophobicContact CB-CG2 4.05Å
96D92.5Very high96Very high62 Ų6238.1 Ų38.133%0.33224%0.244SC..  trans-74.5-176.2167.366.615.5000111.1E98 G99 N100 F102D96-E98 PolarHBondContact O-N 2.87Å; D96-E98 VanDerWaalsContact O-N 3.16Å; D96-E98 WeakPolarHBondContact OD1-CA 3.23Å; D96-E98 WeakPolarHBondContact OD1-CB 3.42Å; D96-E98 PolarHBondContact OD1-N 3.42Å; D96-G99 PolarHBondContact O-N 2.83Å; D96-G99 PolarHBondContact OD1-N 2.91Å; D96-N100 PolarHBondContact N-O 3.31Å; D96-N100 PolarHBondContact OD1-N 2.98Å; D96-N100 WeakPolarHBondContact OD2-CB 3.43Å; D96-N100 PolarHBondContact OD2-ND2 2.99Å; D96-F102 WeakPolarHBondContact OD2-CE2 3.44Å
97A91.3Very high96.3Very high115 Ų11536 Ų3695%0.9523%0.231SC*.THydrogen-bonded Turntrans-61.2-22179.800000113.6
98E93Very high96.3Very high158 Ų15835.1 Ų35.174%0.73823%0.228SC*.THydrogen-bonded Turntrans-93.70.6178-63.8178.4-173.800112.4D96 N100D96-E98 PolarHBondContact O-N 2.87Å; D96-E98 VanDerWaalsContact O-N 3.16Å; D96-E98 WeakPolarHBondContact OD1-CA 3.23Å; D96-E98 WeakPolarHBondContact OD1-CB 3.42Å; D96-E98 PolarHBondContact OD1-N 3.42Å; E98-N100 VanDerWaalsContact C-N 3.32Å; E98-N100 WeakPolarHBondContact CB-ND2 3.39Å; E98-N100 PolarHBondContact OE2-ND2 2.89Å
99G94.1Very high96.3Very high51 Ų5134.8 Ų34.853%0.52623%0.225SC..SBendtrans82.45.1-177.200000114.2D96D96-G99 PolarHBondContact O-N 2.83Å; D96-G99 PolarHBondContact OD1-N 2.91Å
100N95.1Very high96.2Very high22 Ų2241 Ų4112%0.11825%0.252CS..  trans-78.2144.5180-51.8-62.9000110.9A95 D96 E98 F102 K120A95-N100 CarbonylContact C-O 3.54Å; A95-N100 VanDerWaalsContact CA-O 3.29Å; A95-N100 WeakPolarHBondContact CA-O 3.42Å; D96-N100 PolarHBondContact N-O 3.31Å; D96-N100 PolarHBondContact OD1-N 2.98Å; D96-N100 WeakPolarHBondContact OD2-CB 3.43Å; D96-N100 PolarHBondContact OD2-ND2 2.99Å; E98-N100 VanDerWaalsContact C-N 3.32Å; E98-N100 WeakPolarHBondContact CB-ND2 3.39Å; E98-N100 PolarHBondContact OE2-ND2 2.89Å; N100-F102 HydrophobicContact CB-CE2 3.9Å; N100-F102 HydrophobicContact CB-CZ 3.73Å; N100-K120 VanDerWaalsContact OD1-CE 3.24Å; N100-K120 WeakPolarHBondContact OD1-CE 3.39Å; N100-K120 PolarHBondContact OD1-NZ 2.66Å
101T96.4Very high96Very high55 Ų5542.4 Ų42.434%0.33726%0.261SS..  trans-125.2139.1173.859.70000110.5K92 A95K92-T101 VanDerWaalsContact CE-C 3.43Å; K92-T101 VanDerWaalsContact CE-CB 3.42Å; K92-T101 VanDerWaalsContact CE-O 3.27Å; K92-T101 WeakPolarHBondContact CE-O 3.18Å; K92-T101 WeakPolarHBondContact CE-OG1 3.11Å; K92-T101 PolarHBondContact NZ-O 2.83Å; A95-T101 HydrophobicContact CB-CG2 4.05Å
102F97.9Very high96Very high29 Ų2942.2 Ų42.213%0.12726%0.26CS..  trans-115.4144-173.2-56.3-86000110.9K92 T93 D96 N100 K117 K120K92-F102 WeakPolarHBondContact CA-O 3.43Å; K92-F102 WeakPolarHBondContact CD-O 3.26Å; T93-F102 HydrophobicContact CG2-CB 4.07Å; T93-F102 PolarHBondContact N-O 3.42Å; T93-F102 PolarHBondContact OG1-N 3.03Å; D96-F102 WeakPolarHBondContact OD2-CE2 3.44Å; N100-F102 HydrophobicContact CB-CE2 3.9Å; N100-F102 HydrophobicContact CB-CZ 3.73Å; F102-K117 HydrophobicContact CB-CD 4.47Å; F102-K117 HydrophobicContact CB-CG 4.05Å; F102-K117 VanDerWaalsContact CG-CE 3.49Å; F102-K120 HydrophobicContact CE1-CB 4.09Å
103G98.1Very high96Very high9 Ų939.8 Ų39.89%0.09325%0.25CC..EExtended strand (participates in β ladder)trans-72.2141.3167.900000110G118G103-G118 PolarHBondContact O-N 3.25Å
104V98.3Very high96Very high5 Ų539.4 Ų39.43%0.0325%0.247CC..EExtended strand (participates in β ladder)trans-132.1131.6172176.50000108I69 L91 T93 V106 I115 A116 K117I69-V104 HydrophobicContact CG1-CG1 4.42Å; L91-V104 HydrophobicContact CB-CB 4.13Å; L91-V104 HydrophobicContact CD1-CG1 4.44Å; L91-V104 PolarHBondContact N-O 2.87Å; L91-V104 PolarHBondContact O-N 3.41Å; T93-V104 HydrophobicContact CG2-CG2 3.75Å; V104-V106 HydrophobicContact CG1-CG2 4.28Å; V104-I115 HydrophobicContact CG1-CG2 4.16Å; V104-A116 CarbonylContact C-O 3.47Å; V104-A116 VanDerWaalsContact CA-O 3.26Å; V104-A116 WeakPolarHBondContact CA-O 3.35Å; V104-K117 HydrophobicContact CG2-CB 4.09Å; V104-K117 HydrophobicContact CG2-CG 4.01Å
105C98.4Very high96.2Very high0 Ų037 Ų370%023%0.227CC..EExtended strand (participates in β ladder)trans-114.3134.3171.8-171.70000108.8D90 I115 A116 I127 V131D90-C105 PolarHBondContact OD1-SG 3.39Å; C105-I115 WeakPolarHBondContact O-CA 3.48Å; C105-A116 PolarHBondContact N-O 3.47Å; C105-A116 PolarHBondContact O-N 3.09Å; C105-I127 HydrophobicContact CB-CG2 3.81Å; C105-V131 HydrophobicContact CB-CB 4.41Å; C105-V131 HydrophobicContact CB-CG2 3.94Å
106V98.3Very high96.3Very high0 Ų034 Ų340%020%0.202CC..EExtended strand (participates in β ladder)trans-120117.4174.2-173.40000108.5L54 I69 M81 A88 L89 L91 V104 V113 V114 I115L54-V106 HydrophobicContact CD1-CG1 4.38Å; L54-V106 HydrophobicContact CD2-CG1 4.25Å; L54-V106 HydrophobicContact CD2-CG2 4.33Å; I69-V106 HydrophobicContact CD1-CG2 4.16Å; M81-V106 HydrophobicContact CE-CB 4.15Å; M81-V106 HydrophobicContact CE-CG1 3.91Å; M81-V106 WeakPolarHBondContact CE-O 3.21Å; A88-V106 CarbonylContact C-O 3.47Å; A88-V106 WeakPolarHBondContact CA-O 3.04Å; L89-V106 HydrophobicContact CD1-CB 4.09Å; L89-V106 HydrophobicContact CD1-CG2 4.24Å; L89-V106 HydrophobicContact CG-CB 4.14Å; L89-V106 PolarHBondContact N-O 3.49Å; L89-V106 PolarHBondContact O-N 3.03Å; L91-V106 HydrophobicContact CD1-CG2 4.16Å; V104-V106 HydrophobicContact CG1-CG2 4.28Å; V106-V113 HydrophobicContact CG1-CB 4.13Å; V106-V113 HydrophobicContact CG1-CG1 4.45Å; V106-V114 CarbonylContact C-O 3.44Å; V106-V114 WeakPolarHBondContact CA-O 3.27Å; V106-I115 HydrophobicContact CG1-CG1 4Å; V106-I115 HydrophobicContact CG2-CG1 4.2Å; V106-I115 HydrophobicContact CG2-CG2 4.39Å
107G97.9Very high96.6Very high0 Ų033.5 Ų33.50%020%0.197CC..EExtended strand (participates in β ladder)trans-104146.7176.100000111.9Y87 V113 V114Y87-G107 CarbonylContact O-C 3.59Å; Y87-G107 WeakPolarHBondContact O-CA 3.35Å; G107-V113 CarbonylContact O-C 3.5Å; G107-V113 WeakPolarHBondContact O-CA 3.27Å; G107-V114 PolarHBondContact N-O 3.1Å; G107-V114 PolarHBondContact O-N 2.97Å
108K96.7Very high96.9Very high22 Ų2228 Ų2810%0.09615%0.152CC..EExtended strand (participates in β ladder)trans-118.3123.2-175.9-175.5172.3-174.8174.20111.9I29 G55 S56 M81 Y87 V113 R139I29-K108 HydrophobicContact CD1-CG 4.36Å; G55-K108 WeakPolarHBondContact O-CE 3.12Å; G55-K108 PolarHBondContact O-NZ 2.82Å; S56-K108 PolarHBondContact O-NZ 3.34Å; M81-K108 HydrophobicContact CE-CB 3.93Å; M81-K108 HydrophobicContact CG-CB 3.62Å; M81-K108 HydrophobicContact CG-CD 3.7Å; M81-K108 HydrophobicContact CG-CG 4.32Å; M81-K108 HydrophobicContact SD-CB 3.8Å; M81-K108 HydrophobicContact SD-CD 3.77Å; M81-K108 HydrophobicContact SD-CG 4.38Å; Y87-K108 PolarHBondContact O-N 3.49Å; K108-V113 HydrophobicContact CG-CG1 4.47Å; K108-R139 PolarHBondContact O-NH1 2.94Å
109T96Very high97.1Very high2 Ų222.7 Ų22.71%0.01213%0.13CC..  trans-96.5-171.2168.682.10000109.3T111 A112 V114 V135 L138 R139 M143T109-T111 VanDerWaalsContact C-N 3.3Å; T109-T111 PolarHBondContact OG1-N 2.95Å; T109-A112 PolarHBondContact N-O 2.87Å; T109-A112 PolarHBondContact OG1-N 3.5Å; T109-A112 PolarHBondContact OG1-O 3.32Å; T109-V114 HydrophobicContact CG2-CG2 4.42Å; T109-V135 HydrophobicContact CG2-CG1 4.38Å; T109-L138 HydrophobicContact CG2-CB 3.73Å; T109-L138 HydrophobicContact CG2-CD1 3.86Å; T109-L138 HydrophobicContact CG2-CG 4.46Å; T109-R139 HydrophobicContact CG2-CG 4.4Å; T109-M143 WeakPolarHBondContact CB-O 3.29Å; T109-M143 WeakPolarHBondContact CB-OXT 2.96Å; T109-M143 PolarHBondContact OG1-OXT 3.38Å
110K93.7Very high97.1Very high131 Ų13126.4 Ų26.457%0.5713%0.132SC*.SBendtrans-71.4-28.2175.3-58.9175.9-173.2175.90112.4M143K110-M143 WeakPolarHBondContact CA-OXT 3.27Å; K110-M143 WeakPolarHBondContact CB-O 3.15Å; K110-M143 WeakPolarHBondContact CB-OXT 3.21Å; K110-M143 WeakPolarHBondContact CG-O 3.29Å; K110-M143 PolarHBondContact N-O 2.81Å; K110-M143 PolarHBondContact N-OXT 3.29Å
111T95.1Very high97Very high52 Ų5232.2 Ų32.232%0.31916%0.163SC..SBendtrans-128.4-10.7-168.561.30000114.2G28 I29 T109 M143G28-T111 WeakPolarHBondContact CA-O 3.31Å; I29-T111 VanDerWaalsContact CG1-C 3.41Å; I29-T111 WeakPolarHBondContact CG1-O 3.25Å; I29-T111 PolarHBondContact N-O 2.84Å; T109-T111 VanDerWaalsContact C-N 3.3Å; T109-T111 PolarHBondContact OG1-N 2.95Å; T111-M143 WeakPolarHBondContact CB-OXT 3.43Å; T111-M143 PolarHBondContact N-OXT 3.13Å; T111-M143 PolarHBondContact OG1-OXT 3.34Å
112A97Very high97Very high0 Ų030.2 Ų30.20%015%0.152CC..EExtended strand (participates in β ladder)trans-141.3165.1-17900000113.2I26 C27 W37 T109I26-A112 HydrophobicContact CG2-CB 4.07Å; C27-A112 CarbonylContact O-C 3.57Å; C27-A112 WeakPolarHBondContact O-CA 3.31Å; C27-A112 WeakPolarHBondContact O-CB 3.34Å; W37-A112 HydrophobicContact CE3-CB 4.31Å; W37-A112 HydrophobicContact CH2-CB 4.04Å; W37-A112 HydrophobicContact CZ3-CB 3.67Å; T109-A112 PolarHBondContact N-O 2.87Å; T109-A112 PolarHBondContact OG1-N 3.5Å; T109-A112 PolarHBondContact OG1-O 3.32Å
113V97.6Very high96.9Very high0 Ų031.7 Ų31.70%017%0.166CC..EExtended strand (participates in β ladder)trans-114.7137.6161.2-69.10000109.8I26 C27 I29 L54 V106 G107 K108 I115I26-V113 WeakPolarHBondContact CA-O 3.48Å; C27-V113 HydrophobicContact CB-CG2 3.88Å; C27-V113 PolarHBondContact N-O 2.88Å; C27-V113 PolarHBondContact O-N 2.83Å; I29-V113 HydrophobicContact CD1-CG1 4.45Å; I29-V113 HydrophobicContact CG2-CB 4.33Å; I29-V113 HydrophobicContact CG2-CG1 3.79Å; I29-V113 HydrophobicContact CG2-CG2 3.89Å; L54-V113 HydrophobicContact CB-CG1 4.35Å; L54-V113 HydrophobicContact CB-CG2 4.44Å; L54-V113 HydrophobicContact CD1-CG2 4.48Å; V106-V113 HydrophobicContact CG1-CB 4.13Å; V106-V113 HydrophobicContact CG1-CG1 4.45Å; G107-V113 CarbonylContact O-C 3.5Å; G107-V113 WeakPolarHBondContact O-CA 3.27Å; K108-V113 HydrophobicContact CG-CG1 4.47Å; V113-I115 HydrophobicContact CG2-CD1 4.37Å
114V98.3Very high96.7Very high0 Ų033.3 Ų33.30%018%0.183CC..EExtended strand (participates in β ladder)trans-106.7122.6176.4-1780000107.5M10 I26 V106 G107 T109 V131 V134 V135 L138M10-V114 HydrophobicContact CE-CG1 3.95Å; M10-V114 HydrophobicContact SD-CG1 3.88Å; I26-V114 HydrophobicContact CG1-CG1 4.49Å; I26-V114 HydrophobicContact CG1-CG2 4.42Å; V106-V114 CarbonylContact C-O 3.44Å; V106-V114 WeakPolarHBondContact CA-O 3.27Å; G107-V114 PolarHBondContact N-O 3.1Å; G107-V114 PolarHBondContact O-N 2.97Å; T109-V114 HydrophobicContact CG2-CG2 4.42Å; V114-V131 HydrophobicContact CB-CG1 4.3Å; V114-V131 HydrophobicContact CG1-CG1 4.26Å; V114-V134 HydrophobicContact CG1-CB 4.37Å; V114-V134 HydrophobicContact CG1-CG1 4.14Å; V114-V134 HydrophobicContact CG2-CG1 3.99Å; V114-V135 HydrophobicContact CB-CG2 4.15Å; V114-V135 HydrophobicContact CG2-CG2 4.09Å; V114-L138 HydrophobicContact CG2-CD1 3.98Å
115I98.5Very high96.5Very high0 Ų035 Ų350%020%0.201CC..EExtended strand (participates in β ladder)trans-117.9131.5-174.9-57.9164.5000108.1A24 A25 L43 I46 L54 I69 V104 C105 V106 V113A24-I115 CarbonylContact C-O 3.03Å; A24-I115 WeakPolarHBondContact CA-O 3.38Å; A25-I115 HydrophobicContact CB-CB 4.45Å; A25-I115 PolarHBondContact N-O 2.88Å; A25-I115 PolarHBondContact O-N 3.23Å; L43-I115 HydrophobicContact CD1-CG2 4.1Å; I46-I115 HydrophobicContact CD1-CD1 3.71Å; L54-I115 HydrophobicContact CD1-CD1 3.79Å; L54-I115 HydrophobicContact CD1-CG1 4.46Å; I69-I115 HydrophobicContact CG2-CG2 3.96Å; V104-I115 HydrophobicContact CG1-CG2 4.16Å; C105-I115 WeakPolarHBondContact O-CA 3.48Å; V106-I115 HydrophobicContact CG1-CG1 4Å; V106-I115 HydrophobicContact CG2-CG1 4.2Å; V106-I115 HydrophobicContact CG2-CG2 4.39Å; V113-I115 HydrophobicContact CG2-CD1 4.37Å
116A98.4Very high96.4Very high0 Ų036.9 Ų36.90%021%0.21CC..EExtended strand (participates in β ladder)trans-131.5129.417100000110.4M10 V21 E23 V104 C105 I127 V131M10-A116 HydrophobicContact SD-CB 4.47Å; V21-A116 HydrophobicContact CG1-CB 4.08Å; V21-A116 HydrophobicContact CG2-CB 4.25Å; E23-A116 WeakPolarHBondContact O-CA 3.44Å; V104-A116 CarbonylContact C-O 3.47Å; V104-A116 VanDerWaalsContact CA-O 3.26Å; V104-A116 WeakPolarHBondContact CA-O 3.35Å; C105-A116 PolarHBondContact N-O 3.47Å; C105-A116 PolarHBondContact O-N 3.09Å; A116-I127 HydrophobicContact CB-CG2 3.81Å; A116-V131 HydrophobicContact CB-CG2 3.41Å; A116-V131 VanDerWaalsContact CB-CG2 3.41Å
117K98.3Very high96.4Very high53 Ų5337 Ų3723%0.2321%0.211CC..EExtended strand (participates in β ladder)trans-103.4128.9169.4-180-176.6175.4-1750108.8A22 E23 F102 V104A22-K117 PolarHBondContact N-O 3.46Å; E23-K117 HydrophobicContact CB-CB 4.15Å; E23-K117 PolarHBondContact N-O 3.3Å; E23-K117 PolarHBondContact O-N 2.96Å; F102-K117 HydrophobicContact CB-CD 4.47Å; F102-K117 HydrophobicContact CB-CG 4.05Å; F102-K117 VanDerWaalsContact CG-CE 3.49Å; V104-K117 HydrophobicContact CG2-CB 4.09Å; V104-K117 HydrophobicContact CG2-CG 4.01Å
118G97.8Very high96.3Very high0 Ų038.1 Ų38.10%022%0.218CC..EExtended strand (participates in β ladder)trans-73.9161.5-179.900000114P20 G103P20-G118 CarbonylContact O-C 3.6Å; P20-G118 WeakPolarHBondContact O-CA 3.2Å; G103-G118 PolarHBondContact O-N 3.25Å
119T97Very high96.3Very high46 Ų4642 Ų4228%0.28224%0.241SC..PPolyproline II helixtrans-66.3170.7160.562.60000110.4V19 P20 A22 D121 A122V19-T119 WeakPolarHBondContact O-CG2 3.29Å; P20-T119 PolarHBondContact O-N 2.95Å; A22-T119 HydrophobicContact CB-CG2 3.98Å; T119-D121 PolarHBondContact O-N 3.39Å; T119-A122 PolarHBondContact O-N 3.08Å; T119-A122 WeakPolarHBondContact OG1-CB 3.36Å; T119-A122 PolarHBondContact OG1-N 2.51Å
120K93.7Very high96.3Very high128 Ų12843.2 Ų43.256%0.55725%0.245SC*.THydrogen-bonded Turntrans-57.6-37.1-179.8-178.3171.1172.51640112.6N100 F102N100-K120 VanDerWaalsContact OD1-CE 3.24Å; N100-K120 WeakPolarHBondContact OD1-CE 3.39Å; N100-K120 PolarHBondContact OD1-NZ 2.66Å; F102-K120 HydrophobicContact CE1-CB 4.09Å
121D93.1Very high96.5Very high145 Ų14537 Ų3778%0.77522%0.218SC*.THydrogen-bonded Turntrans-95.6-4.2-174.8-50.6-53.4000113.1T119 S123T119-D121 PolarHBondContact O-N 3.39Å; D121-S123 PolarHBondContact O-N 3.46Å
122A96.5Very high96.6Very high13 Ų1337.3 Ų37.311%0.10722%0.216CC..  trans-69.8127.8-179.400000111.5P20 T119 I127P20-A122 HydrophobicContact CB-CB 3.83Å; P20-A122 WeakPolarHBondContact O-CB 3.39Å; T119-A122 PolarHBondContact O-N 3.08Å; T119-A122 WeakPolarHBondContact OG1-CB 3.36Å; T119-A122 PolarHBondContact OG1-N 2.51Å; A122-I127 HydrophobicContact CB-CD1 4.03Å; A122-I127 HydrophobicContact CB-CG1 3.98Å
123S95.3Very high96.5Very high59 Ų5941.9 Ų41.941%0.41324%0.24SC..  trans-73.1154.6169.170.40000111.2D121 G125 Q126 I127D121-S123 PolarHBondContact O-N 3.46Å; S123-G125 VanDerWaalsContact C-N 3.29Å; S123-G125 PolarHBondContact O-N 3.37Å; S123-Q126 PolarHBondContact O-N 2.89Å; S123-Q126 VanDerWaalsContact OG-CG 3.26Å; S123-Q126 WeakPolarHBondContact OG-CG 3.3Å; S123-Q126 PolarHBondContact OG-N 3Å; S123-Q126 PolarHBondContact OG-OE1 2.95Å; S123-I127 WeakPolarHBondContact O-CG1 3.43Å; S123-I127 PolarHBondContact O-N 3.32Å
124G94.2Very high96.5Very high43 Ų4342.2 Ų42.244%0.44324%0.242SC..Hα-helixtrans-55-4517600000112.2Q126 I127 S128G124-Q126 VanDerWaalsContact C-N 3.33Å; G124-Q126 PolarHBondContact O-N 3.3Å; G124-I127 PolarHBondContact O-N 2.75Å; G124-I127 VanDerWaalsContact O-N 3.13Å; G124-S128 PolarHBondContact O-N 2.69Å; G124-S128 PolarHBondContact O-OG 2.8Å
125G94.9Very high96.4Very high41 Ų4142.3 Ų42.342%0.42324%0.243SC..Hα-helixtrans-60.6-37.7-179.800000113.9S123 I127 N129S123-G125 VanDerWaalsContact C-N 3.29Å; S123-G125 PolarHBondContact O-N 3.37Å; G125-I127 VanDerWaalsContact C-N 3.35Å; G125-I127 PolarHBondContact O-N 3.47Å; G125-N129 VanDerWaalsContact O-CB 3.3Å; G125-N129 WeakPolarHBondContact O-CB 3.42Å; G125-N129 PolarHBondContact O-N 3.27Å; G125-N129 PolarHBondContact O-ND2 2.94Å
126Q96.6Very high96.3Very high40 Ų4045.9 Ų45.919%0.18726%0.259CS..Hα-helixtrans-64.2-41.4176.2-72.3171.3-71.200111.9D14 T18 P20 S123 G124 K130D14-Q126 WeakPolarHBondContact OD2-CG 3.44Å; D14-Q126 PolarHBondContact OD2-NE2 2.94Å; T18-Q126 PolarHBondContact OG1-NE2 3.28Å; P20-Q126 HydrophobicContact CB-CB 3.64Å; P20-Q126 HydrophobicContact CG-CB 3.99Å; S123-Q126 PolarHBondContact O-N 2.89Å; S123-Q126 VanDerWaalsContact OG-CG 3.26Å; S123-Q126 WeakPolarHBondContact OG-CG 3.3Å; S123-Q126 PolarHBondContact OG-N 3Å; S123-Q126 PolarHBondContact OG-OE1 2.95Å; G124-Q126 VanDerWaalsContact C-N 3.33Å; G124-Q126 PolarHBondContact O-N 3.3Å; Q126-K130 PolarHBondContact O-N 3.33Å
127I97.6Very high96.1Very high2 Ų249.7 Ų49.71%0.0128%0.277CS..Hα-helixtrans-68.9-49.4178.9-54.6160.8000109.7C105 A116 A122 S123 G124 G125 N129 K130 V131C105-I127 HydrophobicContact CB-CG2 3.81Å; A116-I127 HydrophobicContact CB-CG2 3.81Å; A122-I127 HydrophobicContact CB-CD1 4.03Å; A122-I127 HydrophobicContact CB-CG1 3.98Å; S123-I127 WeakPolarHBondContact O-CG1 3.43Å; S123-I127 PolarHBondContact O-N 3.32Å; G124-I127 PolarHBondContact O-N 2.75Å; G124-I127 VanDerWaalsContact O-N 3.13Å; G125-I127 VanDerWaalsContact C-N 3.35Å; G125-I127 PolarHBondContact O-N 3.47Å; I127-N129 VanDerWaalsContact C-N 3.29Å; I127-N129 PolarHBondContact O-N 3.28Å; I127-K130 PolarHBondContact O-N 2.98Å; I127-K130 VanDerWaalsContact O-N 3.14Å; I127-V131 PolarHBondContact O-N 3.02Å; I127-V131 VanDerWaalsContact O-N 3.14Å
128S96.4Very high96Very high23 Ų2347.2 Ų47.216%0.16127%0.266CS..Hα-helixtrans-61.8-36.6-178.7-46.60000111.7D90 G124 K130 V131 F132D90-S128 PolarHBondContact OD1-OG 2.89Å; G124-S128 PolarHBondContact O-N 2.69Å; G124-S128 PolarHBondContact O-OG 2.8Å; S128-K130 PolarHBondContact O-N 3.2Å; S128-V131 PolarHBondContact O-N 3.45Å; S128-F132 VanDerWaalsContact O-CB 3.25Å; S128-F132 WeakPolarHBondContact O-CB 3.41Å; S128-F132 PolarHBondContact O-N 2.75Å
129N96.2Very high95.8Very high105 Ų10549.9 Ų49.956%0.56128%0.276SS*.Hα-helixtrans-62.7-40.8175-76.9-11.9000112.7G125 I127 N133G125-N129 VanDerWaalsContact O-CB 3.3Å; G125-N129 WeakPolarHBondContact O-CB 3.42Å; G125-N129 PolarHBondContact O-N 3.27Å; G125-N129 PolarHBondContact O-ND2 2.94Å; I127-N129 VanDerWaalsContact C-N 3.29Å; I127-N129 PolarHBondContact O-N 3.28Å; N129-N133 VanDerWaalsContact O-CG 3.3Å; N129-N133 PolarHBondContact O-N 2.91Å; N129-N133 PolarHBondContact O-ND2 2.92Å
130K97.1Very high95.7Very high26 Ų2655.1 Ų55.111%0.11330%0.295CS..Hα-helixtrans-64.7-42.5176.7-70.9-68.5-165.7174.70111.3M10 T12 P13 P20 V21 Q126 I127 S128M10-K130 HydrophobicContact CG-CB 4.32Å; T12-K130 WeakPolarHBondContact O-CE 3.42Å; T12-K130 PolarHBondContact O-NZ 2.65Å; T12-K130 PolarHBondContact OG1-NZ 2.68Å; P13-K130 PolarHBondContact O-NZ 3.12Å; P20-K130 HydrophobicContact CG-CG 4.21Å; V21-K130 HydrophobicContact CG2-CB 4.06Å; V21-K130 HydrophobicContact CG2-CG 4.06Å; Q126-K130 PolarHBondContact O-N 3.33Å; I127-K130 PolarHBondContact O-N 2.98Å; I127-K130 VanDerWaalsContact O-N 3.14Å; S128-K130 PolarHBondContact O-N 3.2Å
131V97.8Very high95.7Very high0 Ų052 Ų520%029%0.293CS..Hα-helixtrans-66.4-45.8176.91740000111.3M10 C105 V114 A116 I127 S128 N133 V134 V135M10-V131 HydrophobicContact SD-CG2 4.49Å; C105-V131 HydrophobicContact CB-CB 4.41Å; C105-V131 HydrophobicContact CB-CG2 3.94Å; V114-V131 HydrophobicContact CB-CG1 4.3Å; V114-V131 HydrophobicContact CG1-CG1 4.26Å; A116-V131 HydrophobicContact CB-CG2 3.41Å; A116-V131 VanDerWaalsContact CB-CG2 3.41Å; I127-V131 PolarHBondContact O-N 3.02Å; I127-V131 VanDerWaalsContact O-N 3.14Å; S128-V131 PolarHBondContact O-N 3.45Å; V131-N133 VanDerWaalsContact C-N 3.33Å; V131-N133 PolarHBondContact O-N 3.41Å; V131-V134 PolarHBondContact O-N 3.18Å; V131-V134 VanDerWaalsContact O-N 3.13Å; V131-V135 HydrophobicContact CG1-CG2 3.88Å; V131-V135 WeakPolarHBondContact O-CG2 3.26Å; V131-V135 PolarHBondContact O-N 3.33Å
132F96.4Very high95.5Very high60 Ų6047.1 Ų47.126%0.26328%0.277SS..Hα-helixtrans-53.5-48.1179.9174.6-94.5000111.9P85 S128 V134 V135 E136P85-F132 WeakPolarHBondContact O-CE2 3.37Å; S128-F132 VanDerWaalsContact O-CB 3.25Å; S128-F132 WeakPolarHBondContact O-CB 3.41Å; S128-F132 PolarHBondContact O-N 2.75Å; F132-V134 VanDerWaalsContact C-N 3.29Å; F132-V134 PolarHBondContact O-N 2.82Å; F132-V135 PolarHBondContact O-N 3.4Å; F132-E136 HydrophobicContact CE1-CB 4.41Å; F132-E136 HydrophobicContact CZ-CB 4.45Å; F132-E136 VanDerWaalsContact O-CB 3.27Å; F132-E136 WeakPolarHBondContact O-CB 3.29Å; F132-E136 PolarHBondContact O-N 3.23Å
133N95.3Very high94.9Very high95 Ų9549.1 Ų49.151%0.50829%0.285SS..Hα-helixtrans-58.9-40.2-179.8-68.8-18.7000112.7N129 V131 H137N129-N133 VanDerWaalsContact O-CG 3.3Å; N129-N133 PolarHBondContact O-N 2.91Å; N129-N133 PolarHBondContact O-ND2 2.92Å; V131-N133 VanDerWaalsContact C-N 3.33Å; V131-N133 PolarHBondContact O-N 3.41Å; N133-H137 WeakPolarHBondContact O-CB 3.38Å; N133-H137 PolarHBondContact O-N 3.33Å
134V96.4Very high94.8Very high8 Ų848.6 Ų48.65%0.04828%0.278CS..Hα-helixtrans-70.8-47.2178178.40000110.3Y6 M10 V114 V131 F132 E136 H137 L138Y6-V134 HydrophobicContact CD1-CG1 3.88Å; Y6-V134 HydrophobicContact CD1-CG2 4.42Å; Y6-V134 HydrophobicContact CG-CG1 4.24Å; M10-V134 HydrophobicContact CG-CG2 3.8Å; M10-V134 HydrophobicContact SD-CG2 4.07Å; V114-V134 HydrophobicContact CG1-CB 4.37Å; V114-V134 HydrophobicContact CG1-CG1 4.14Å; V114-V134 HydrophobicContact CG2-CG1 3.99Å; V131-V134 PolarHBondContact O-N 3.18Å; V131-V134 VanDerWaalsContact O-N 3.13Å; F132-V134 VanDerWaalsContact C-N 3.29Å; F132-V134 PolarHBondContact O-N 2.82Å; V134-E136 PolarHBondContact O-N 2.86Å; V134-H137 PolarHBondContact O-N 3.34Å; V134-L138 HydrophobicContact CG1-CD1 3.75Å; V134-L138 HydrophobicContact CG1-CG 4.21Å; V134-L138 WeakPolarHBondContact O-CB 3.48Å; V134-L138 VanDerWaalsContact O-CG 3.27Å; V134-L138 WeakPolarHBondContact O-CG 3.43Å; V134-L138 PolarHBondContact O-N 2.86Å
135V97Very high94.9Very high2 Ų248.9 Ų48.91%0.01227%0.27CS..Hα-helixtrans-60.5-46.8179.5171.90000111.2T109 V114 V131 F132 H137 L138 R139T109-V135 HydrophobicContact CG2-CG1 4.38Å; V114-V135 HydrophobicContact CB-CG2 4.15Å; V114-V135 HydrophobicContact CG2-CG2 4.09Å; V131-V135 HydrophobicContact CG1-CG2 3.88Å; V131-V135 WeakPolarHBondContact O-CG2 3.26Å; V131-V135 PolarHBondContact O-N 3.33Å; F132-V135 PolarHBondContact O-N 3.4Å; V135-H137 VanDerWaalsContact C-N 3.33Å; V135-H137 PolarHBondContact O-N 2.91Å; V135-L138 PolarHBondContact O-N 3.31Å; V135-R139 HydrophobicContact CG1-CG 4.2Å; V135-R139 WeakPolarHBondContact O-CB 3.41Å; V135-R139 VanDerWaalsContact O-CG 3.25Å; V135-R139 WeakPolarHBondContact O-CG 3.38Å; V135-R139 PolarHBondContact O-N 3.06Å
136E96.1Very high94.9Very high74 Ų7449.3 Ų49.335%0.34626%0.261SS..Hα-helixtrans-58.5-47.5178.7-171.2-168.3-160.600110.7F132 V134 R139 K140F132-E136 HydrophobicContact CE1-CB 4.41Å; F132-E136 HydrophobicContact CZ-CB 4.45Å; F132-E136 VanDerWaalsContact O-CB 3.27Å; F132-E136 WeakPolarHBondContact O-CB 3.29Å; F132-E136 PolarHBondContact O-N 3.23Å; V134-E136 PolarHBondContact O-N 2.86Å; E136-R139 PolarHBondContact O-N 2.99Å; E136-K140 HydrophobicContact CG-CD 4.22Å; E136-K140 WeakPolarHBondContact O-CB 3.3Å; E136-K140 VanDerWaalsContact O-CG 3.3Å; E136-K140 WeakPolarHBondContact O-CG 3.46Å; E136-K140 PolarHBondContact O-N 3.16Å; E136-K140 WeakPolarHBondContact OE1-CE 3.26Å; E136-K140 IonicContact OE1-NZ 3.6Å; E136-K140 PolarHBondContact OE1-NZ 2.95Å; E136-K140 IonicContact OE2-NZ 2.66Å
137H95.4Very high94.8Very high80 Ų8049.9 Ų49.937%0.3727%0.266SS..Hα-helixtrans-60.5-49.8177.2176.580.6000112.3Y6 N133 V134 V135 R139 K140 A141Y6-H137 AromaticContact CE1-CD2 3.61Å; Y6-H137 AromaticContact CZ-CD2 3.87Å; Y6-H137 PolarHBondContact OH-CD2 2.83Å; Y6-H137 VanDerWaalsContact OH-CD2 3.29Å; Y6-H137 PolarHBondContact OH-NE2 3.28Å; Y6-H137 VanDerWaalsContact OH-NE2 3.12Å; N133-H137 WeakPolarHBondContact O-CB 3.38Å; N133-H137 PolarHBondContact O-N 3.33Å; V134-H137 PolarHBondContact O-N 3.34Å; V135-H137 VanDerWaalsContact C-N 3.33Å; V135-H137 PolarHBondContact O-N 2.91Å; H137-R139 PolarHBondContact O-N 2.7Å; H137-K140 PolarHBondContact O-N 2.77Å; H137-A141 PolarHBondContact O-N 3.2Å
138L95.3Very high94.6Very high1 Ų152.9 Ų52.91%0.00528%0.282CS..Hα-helixtrans-63.1-41.6-179.1-67.8175.7000111.5W3 Y6 T109 V114 V134 V135 A141 G142 M143W3-L138 HydrophobicContact CH2-CD2 4.31Å; W3-L138 HydrophobicContact CZ3-CD1 4.32Å; W3-L138 HydrophobicContact CZ3-CD2 3.89Å; Y6-L138 HydrophobicContact CE1-CD2 4.26Å; Y6-L138 HydrophobicContact CE2-CD2 4.05Å; T109-L138 HydrophobicContact CG2-CB 3.73Å; T109-L138 HydrophobicContact CG2-CD1 3.86Å; T109-L138 HydrophobicContact CG2-CG 4.46Å; V114-L138 HydrophobicContact CG2-CD1 3.98Å; V134-L138 HydrophobicContact CG1-CD1 3.75Å; V134-L138 HydrophobicContact CG1-CG 4.21Å; V134-L138 WeakPolarHBondContact O-CB 3.48Å; V134-L138 VanDerWaalsContact O-CG 3.27Å; V134-L138 WeakPolarHBondContact O-CG 3.43Å; V134-L138 PolarHBondContact O-N 2.86Å; V135-L138 PolarHBondContact O-N 3.31Å; L138-A141 CarbonylContact O-C 3.45Å; L138-A141 WeakPolarHBondContact O-CA 3.39Å; L138-A141 WeakPolarHBondContact O-CB 3.44Å; L138-A141 PolarHBondContact O-N 2.91Å; L138-A141 VanDerWaalsContact O-N 3.15Å; L138-G142 PolarHBondContact O-N 2.99Å; L138-M143 HydrophobicContact CB-CB 4.34Å; L138-M143 HydrophobicContact CD2-CE 3.34Å; L138-M143 HydrophobicContact CD2-SD 4.48Å; L138-M143 WeakPolarHBondContact O-CA 3.4Å; L138-M143 WeakPolarHBondContact O-CB 3.24Å; L138-M143 PolarHBondContact O-N 2.95Å
139R94.6Very high94.5Very high57 Ų5754.9 Ų54.922%0.21529%0.29CS..Hα-helixtrans-65.4-40.4177.2-70.7-178.378.488.24.7112.4Y87 K108 T109 V135 E136 H137 A141 G142 M143Y87-R139 VanDerWaalsContact CE1-NH2 3.34Å; Y87-R139 VanDerWaalsContact CE2-NE 3.28Å; K108-R139 PolarHBondContact O-NH1 2.94Å; T109-R139 HydrophobicContact CG2-CG 4.4Å; V135-R139 HydrophobicContact CG1-CG 4.2Å; V135-R139 WeakPolarHBondContact O-CB 3.41Å; V135-R139 VanDerWaalsContact O-CG 3.25Å; V135-R139 WeakPolarHBondContact O-CG 3.38Å; V135-R139 PolarHBondContact O-N 3.06Å; E136-R139 PolarHBondContact O-N 2.99Å; H137-R139 PolarHBondContact O-N 2.7Å; R139-A141 VanDerWaalsContact C-N 3.26Å; R139-A141 PolarHBondContact O-N 2.99Å; R139-G142 PolarHBondContact O-N 2.88Å; R139-M143 WeakPolarHBondContact CA-O 3.45Å
140K94.7Very high94.3Very high155 Ų15551.3 Ų51.367%0.67427%0.27SS*.Hα-helixtrans-62.7-33.4172.8-75.3174.5-176.5169.10111.9E136 H137 G142E136-K140 HydrophobicContact CG-CD 4.22Å; E136-K140 WeakPolarHBondContact O-CB 3.3Å; E136-K140 VanDerWaalsContact O-CG 3.3Å; E136-K140 WeakPolarHBondContact O-CG 3.46Å; E136-K140 PolarHBondContact O-N 3.16Å; E136-K140 WeakPolarHBondContact OE1-CE 3.26Å; E136-K140 IonicContact OE1-NZ 3.6Å; E136-K140 PolarHBondContact OE1-NZ 2.95Å; E136-K140 IonicContact OE2-NZ 2.66Å; H137-K140 PolarHBondContact O-N 2.77Å; K140-G142 PolarHBondContact O-N 2.82Å
141A93.4Very high94.1Very high62 Ų6253.2 Ų53.251%0.51228%0.282SS..THydrogen-bonded Turntrans-75.72.6172.400000113.9H137 L138 R139 M143H137-A141 PolarHBondContact O-N 3.2Å; L138-A141 CarbonylContact O-C 3.45Å; L138-A141 WeakPolarHBondContact O-CA 3.39Å; L138-A141 WeakPolarHBondContact O-CB 3.44Å; L138-A141 PolarHBondContact O-N 2.91Å; L138-A141 VanDerWaalsContact O-N 3.15Å; R139-A141 VanDerWaalsContact C-N 3.26Å; R139-A141 PolarHBondContact O-N 2.99Å; A141-M143 HydrophobicContact CB-CE 4.26Å
142G89.2Confident93.8Very high43 Ų4357.7 Ų57.744%0.44331%0.306SS..THydrogen-bonded Turntrans83.97.3179.100000115L138 R139 K140L138-G142 PolarHBondContact O-N 2.99Å; R139-G142 PolarHBondContact O-N 2.88Å; K140-G142 PolarHBondContact O-N 2.82Å
143M82.1Confident93.6Very high55 Ų5557.5 Ų57.527%0.27131%0.31SS..  trans-95.50179.2-70.7-169.1-77.400114W3 T109 K110 T111 L138 R139 A141W3-M143 HydrophobicContact CH2-CE 4.12Å; W3-M143 HydrophobicContact CH2-SD 3.7Å; W3-M143 HydrophobicContact CZ2-SD 4.26Å; T109-M143 WeakPolarHBondContact CB-O 3.29Å; T109-M143 WeakPolarHBondContact CB-OXT 2.96Å; T109-M143 PolarHBondContact OG1-OXT 3.38Å; K110-M143 WeakPolarHBondContact CA-OXT 3.27Å; K110-M143 WeakPolarHBondContact CB-O 3.15Å; K110-M143 WeakPolarHBondContact CB-OXT 3.21Å; K110-M143 WeakPolarHBondContact CG-O 3.29Å; K110-M143 PolarHBondContact N-O 2.81Å; K110-M143 PolarHBondContact N-OXT 3.29Å; T111-M143 WeakPolarHBondContact CB-OXT 3.43Å; T111-M143 PolarHBondContact N-OXT 3.13Å; T111-M143 PolarHBondContact OG1-OXT 3.34Å; L138-M143 HydrophobicContact CB-CB 4.34Å; L138-M143 HydrophobicContact CD2-CE 3.34Å; L138-M143 HydrophobicContact CD2-SD 4.48Å; L138-M143 WeakPolarHBondContact O-CA 3.4Å; L138-M143 WeakPolarHBondContact O-CB 3.24Å; L138-M143 PolarHBondContact O-N 2.95Å; R139-M143 WeakPolarHBondContact CA-O 3.45Å; A141-M143 HydrophobicContact CB-CE 4.26Å

Retrieved 143 of 143 residues in 470.2 ms (Link to these results)

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