A0A077Z3G0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z3G0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 174 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.5Very low64.8Low228 Ų22897 Ų97100%1.12353%0.53SS*.  0122.10-74.3166.3164.800105.3S3M1-S3 PolarHBondContact O-N 3.41Å
2S50.8Low66.5Low115 Ų11591.8 Ų91.880%0.80450%0.501SS*.  trans-70.9116.2-177.5-55.30000108.4E4S2-E4 PolarHBondContact O-N 3.32Å
3S57.6Low68.1Low73 Ų7395.8 Ų95.851%0.5151%0.514SS..  trans-66.789.6169-51.90000107.3M1 A5M1-S3 PolarHBondContact O-N 3.41Å; S3-A5 PolarHBondContact O-N 3.19Å
4E57.6Low69.4Low134 Ų13491.9 Ų91.963%0.62650%0.495SS*.  trans-71.8107.9175.5-154.5161.59400107.2S2 K31S2-E4 PolarHBondContact O-N 3.32Å; E4-K31 HydrophobicContact CB-CD 4.38Å; E4-K31 PolarHBondContact O-NZ 3.03Å
5A61.9Low70.6Confident50 Ų5085.8 Ų85.841%0.41346%0.462SS..EExtended strand (participates in β ladder)trans-64.9134.1172.100000108.3S3 E62 G63S3-A5 PolarHBondContact O-N 3.19Å; A5-E62 HydrophobicContact CB-CG 4.04Å; A5-G63 WeakPolarHBondContact CA-O 3.41Å
6F65.3Low71.7Confident21 Ų2183.2 Ų83.29%0.09245%0.447CS..EExtended strand (participates in β ladder)trans-113.7139.3173.261.5-88000108.7L8 F28 D30 K31 E62 G63 T65F6-L8 HydrophobicContact CD2-CD1 3.79Å; F6-L8 HydrophobicContact CD2-CG 3.97Å; F6-L8 HydrophobicContact CE2-CD1 3.57Å; F6-L8 HydrophobicContact CE2-CG 4.26Å; F6-F28 HydrophobicContact CE2-CD2 4.47Å; F6-F28 AromaticContact CE2-CE2 3.75Å; F6-F28 HydrophobicContact CE2-CE2 3.75Å; F6-F28 HydrophobicContact CZ-CE2 4.14Å; F6-D30 HydrophobicContact CE1-CB 4.12Å; F6-D30 HydrophobicContact CE2-CB 4.32Å; F6-D30 HydrophobicContact CZ-CB 3.83Å; F6-K31 HydrophobicContact CB-CB 4.43Å; F6-K31 HydrophobicContact CD1-CD 4.27Å; F6-K31 HydrophobicContact CD1-CG 4.32Å; F6-E62 WeakPolarHBondContact O-CA 3.31Å; F6-G63 WeakPolarHBondContact CD1-O 2.9Å; F6-G63 VanDerWaalsContact CE1-O 3.28Å; F6-G63 WeakPolarHBondContact CE1-O 3.27Å; F6-G63 PolarHBondContact N-O 3.06Å; F6-G63 PolarHBondContact O-N 2.81Å; F6-T65 HydrophobicContact CE1-CG2 3.72Å
7I66.5Low72.8Confident99 Ų9980.8 Ų80.851%0.50843%0.434SS..EExtended strand (participates in β ladder)trans-107.9124.2177.1-58.7172.1000107.3E60 L61 E62I7-E60 HydrophobicContact CG2-CB 3.84Å; I7-E60 HydrophobicContact CG2-CG 4.14Å; I7-L61 WeakPolarHBondContact CA-O 3.15Å; I7-E62 HydrophobicContact CG1-CG 4.43Å
8L68.8Low73.7Confident46 Ų4676.3 Ų76.324%0.24141%0.411CS..EExtended strand (participates in β ladder)trans-110.4125.6171.8-70.9160.7000109.1F6 F28 L61F6-L8 HydrophobicContact CD2-CD1 3.79Å; F6-L8 HydrophobicContact CD2-CG 3.97Å; F6-L8 HydrophobicContact CE2-CD1 3.57Å; F6-L8 HydrophobicContact CE2-CG 4.26Å; L8-F28 HydrophobicContact CD1-CB 4.02Å; L8-F28 HydrophobicContact CD1-CD1 4.33Å; L8-F28 HydrophobicContact CD1-CD2 2.96Å; L8-F28 HydrophobicContact CD1-CE2 3.31Å; L8-F28 HydrophobicContact CD1-CG 3.52Å; L8-F28 HydrophobicContact CD1-CZ 4.15Å; L8-F28 HydrophobicContact CG-CD2 4.44Å; L8-L61 HydrophobicContact CB-CB 4.46Å; L8-L61 PolarHBondContact N-O 3.3Å; L8-L61 PolarHBondContact O-N 3.26Å
9E75Confident74.4Confident163 Ų16373.9 Ų73.976%0.76240%0.397SS*.EExtended strand (participates in β ladder)trans-75.6124.2168.3-169.2172108.300108
10V79Confident75.2Confident16 Ų1674.2 Ų74.210%0.09740%0.402CS..EExtended strand (participates in β ladder)trans-119.7133.4-178.5-173.70000108.7L12 L15 L26 A59 L61V10-L12 PolarHBondContact O-N 3.33Å; V10-L15 HydrophobicContact CB-CD1 4.28Å; V10-L15 HydrophobicContact CB-CG 4.43Å; V10-L15 HydrophobicContact CG1-CD1 4.16Å; V10-L15 HydrophobicContact CG1-CD2 4.05Å; V10-L15 HydrophobicContact CG1-CG 3.78Å; V10-L26 HydrophobicContact CG1-CD1 3.62Å; V10-L26 HydrophobicContact CG1-CD2 3.74Å; V10-L26 HydrophobicContact CG1-CG 4.35Å; V10-L26 HydrophobicContact CG2-CD2 3.98Å; V10-A59 PolarHBondContact N-O 3.02Å; V10-A59 VanDerWaalsContact N-O 3.15Å; V10-L61 HydrophobicContact CG2-CB 4.13Å
11D84.9Confident75.7Confident122 Ų12273.7 Ų73.765%0.65241%0.414SS*.  trans-59.3127.9173.8-76.4-70.3000111E13 V14 L15D11-E13 PolarHBondContact O-N 3.46Å; D11-V14 HydrophobicContact CB-CB 4.28Å; D11-V14 HydrophobicContact CB-CG2 3.78Å; D11-V14 WeakPolarHBondContact O-CB 3.44Å; D11-V14 PolarHBondContact O-N 3.39Å; D11-V14 VanDerWaalsContact O-N 3.1Å; D11-L15 PolarHBondContact O-N 2.86Å
12L85.5Confident77.8Confident35 Ų3567.8 Ų67.818%0.18339%0.39CS..Hα-helixtrans-58.7-37.7179.1-67.3174.2000111.9V10 V14 L15 I16 L53 A56 A59V10-L12 PolarHBondContact O-N 3.33Å; L12-V14 VanDerWaalsContact C-N 3.29Å; L12-V14 PolarHBondContact O-N 3.12Å; L12-L15 PolarHBondContact O-N 3.34Å; L12-I16 VanDerWaalsContact O-CG1 3.27Å; L12-I16 WeakPolarHBondContact O-CG1 3.44Å; L12-I16 PolarHBondContact O-N 2.71Å; L12-L53 HydrophobicContact CD2-CB 4.39Å; L12-L53 HydrophobicContact CD2-CD2 3.62Å; L12-A56 HydrophobicContact CD1-CB 4.17Å; L12-A56 WeakPolarHBondContact CD1-O 3.37Å; L12-A56 HydrophobicContact CD2-CB 3.84Å; L12-A59 HydrophobicContact CD2-CB 3.62Å
13E86.6Confident79.5Confident144 Ų14465.9 Ų65.967%0.67337%0.369SS*.Hα-helixtrans-60.9-39177.9-170.1173.7108.800111.6D11 I16 N17D11-E13 PolarHBondContact O-N 3.46Å; E13-I16 PolarHBondContact O-N 3.04Å; E13-N17 WeakPolarHBondContact O-CB 3.29Å; E13-N17 PolarHBondContact O-N 3.22Å; E13-N17 PolarHBondContact O-ND2 3.45Å; E13-N17 PolarHBondContact O-OD1 3.39Å
14V86.8Confident80.7Confident40 Ų4067.6 Ų67.624%0.24238%0.378CS..Hα-helixtrans-66.2-44.5176.7178.50000110.3D11 L12 I16 N17 V18 L26D11-V14 HydrophobicContact CB-CB 4.28Å; D11-V14 HydrophobicContact CB-CG2 3.78Å; D11-V14 WeakPolarHBondContact O-CB 3.44Å; D11-V14 PolarHBondContact O-N 3.39Å; D11-V14 VanDerWaalsContact O-N 3.1Å; L12-V14 VanDerWaalsContact C-N 3.29Å; L12-V14 PolarHBondContact O-N 3.12Å; V14-I16 VanDerWaalsContact C-N 3.31Å; V14-I16 PolarHBondContact O-N 2.79Å; V14-N17 WeakPolarHBondContact O-CB 3.44Å; V14-N17 PolarHBondContact O-N 2.8Å; V14-V18 WeakPolarHBondContact O-CG2 3.34Å; V14-V18 PolarHBondContact O-N 3.29Å; V14-L26 HydrophobicContact CG1-CD1 3.44Å; V14-L26 VanDerWaalsContact CG1-CD1 3.44Å
15L86.8Confident82.1Confident1 Ų162 Ų621%0.00535%0.353CS..Hα-helixtrans-61.9-39.8175.7-69.2170.8000112.1V10 D11 L12 V18 L19 L26 L43 L53 A59V10-L15 HydrophobicContact CB-CD1 4.28Å; V10-L15 HydrophobicContact CB-CG 4.43Å; V10-L15 HydrophobicContact CG1-CD1 4.16Å; V10-L15 HydrophobicContact CG1-CD2 4.05Å; V10-L15 HydrophobicContact CG1-CG 3.78Å; D11-L15 PolarHBondContact O-N 2.86Å; L12-L15 PolarHBondContact O-N 3.34Å; L15-V18 PolarHBondContact O-N 3.37Å; L15-L19 WeakPolarHBondContact O-CG 3.39Å; L15-L19 PolarHBondContact O-N 3.33Å; L15-L26 HydrophobicContact CD2-CD2 4.07Å; L15-L43 HydrophobicContact CD2-CD1 3.86Å; L15-L43 HydrophobicContact CD2-CD2 3.83Å; L15-L53 HydrophobicContact CB-CD1 3.5Å; L15-L53 HydrophobicContact CB-CD2 4.17Å; L15-L53 HydrophobicContact CD1-CD2 3.78Å; L15-A59 HydrophobicContact CD1-CB 3.29Å
16I88.2Confident83.2Confident44 Ų4460.2 Ų60.223%0.22634%0.337CS..Hα-helixtrans-63.7-44.1174.3-67.8166.4000110.2L12 E13 V14 V18 L19 T20 V50 L53L12-I16 VanDerWaalsContact O-CG1 3.27Å; L12-I16 WeakPolarHBondContact O-CG1 3.44Å; L12-I16 PolarHBondContact O-N 2.71Å; E13-I16 PolarHBondContact O-N 3.04Å; V14-I16 VanDerWaalsContact C-N 3.31Å; V14-I16 PolarHBondContact O-N 2.79Å; I16-V18 VanDerWaalsContact C-N 3.3Å; I16-V18 PolarHBondContact O-N 2.98Å; I16-L19 PolarHBondContact O-N 2.92Å; I16-T20 HydrophobicContact CG2-CG2 4.02Å; I16-T20 WeakPolarHBondContact O-CB 3.38Å; I16-T20 VanDerWaalsContact O-CG2 3.26Å; I16-T20 WeakPolarHBondContact O-CG2 3.41Å; I16-T20 PolarHBondContact O-N 3.13Å; I16-T20 PolarHBondContact O-OG1 3.39Å; I16-V50 HydrophobicContact CG2-CG1 4.4Å; I16-L53 HydrophobicContact CD1-CB 4.31Å; I16-L53 HydrophobicContact CG1-CB 3.99Å; I16-L53 HydrophobicContact CG1-CD1 3.81Å
17N90Very high84Confident42 Ų4264.4 Ų64.423%0.22536%0.357CS..Hα-helixtrans-60.4-39.9177-71.1-19.9000111.8E13 V14 T20 G21 V22 E23E13-N17 WeakPolarHBondContact O-CB 3.29Å; E13-N17 PolarHBondContact O-N 3.22Å; E13-N17 PolarHBondContact O-ND2 3.45Å; E13-N17 PolarHBondContact O-OD1 3.39Å; V14-N17 WeakPolarHBondContact O-CB 3.44Å; V14-N17 PolarHBondContact O-N 2.8Å; N17-T20 WeakPolarHBondContact CA-OG1 3.44Å; N17-T20 PolarHBondContact O-OG1 3.41Å; N17-G21 PolarHBondContact O-N 3.46Å; N17-G21 VanDerWaalsContact O-N 3.16Å; N17-V22 HydrophobicContact CB-CB 3.99Å; N17-V22 HydrophobicContact CB-CG1 4.27Å; N17-V22 WeakPolarHBondContact O-CB 3.39Å; N17-V22 PolarHBondContact O-N 3.32Å; N17-E23 HydrophobicContact CB-CB 4.32Å; N17-E23 HydrophobicContact CB-CG 4.05Å; N17-E23 PolarHBondContact O-N 3.07Å
18V89.3Confident84.6Confident1 Ų160.8 Ų60.81%0.00634%0.338CS..Hα-helixtrans-66.2-46.8175.3175.90000110.9V14 L15 I16 T20 G21 E23 L26 A40 L43V14-V18 WeakPolarHBondContact O-CG2 3.34Å; V14-V18 PolarHBondContact O-N 3.29Å; L15-V18 PolarHBondContact O-N 3.37Å; I16-V18 VanDerWaalsContact C-N 3.3Å; I16-V18 PolarHBondContact O-N 2.98Å; V18-T20 VanDerWaalsContact C-N 3.35Å; V18-T20 PolarHBondContact O-N 3.16Å; V18-G21 PolarHBondContact O-N 3.47Å; V18-E23 WeakPolarHBondContact CA-O 3.27Å; V18-E23 HydrophobicContact CG2-CB 3.85Å; V18-L26 HydrophobicContact CG2-CB 4.23Å; V18-A40 HydrophobicContact CG1-CB 3.98Å; V18-A40 WeakPolarHBondContact O-CB 3.26Å; V18-L43 HydrophobicContact CB-CD1 4.13Å; V18-L43 HydrophobicContact CG1-CD1 3.75Å
19L88.4Confident84.9Confident30 Ų3062.8 Ų62.816%0.15735%0.348CS..Hα-helixtrans-66.9-32.7179.5-73.9177.5000113.8L15 I16 G21 A40 L43 I44 V48 V50 L53L15-L19 WeakPolarHBondContact O-CG 3.39Å; L15-L19 PolarHBondContact O-N 3.33Å; I16-L19 PolarHBondContact O-N 2.92Å; L19-G21 VanDerWaalsContact C-N 3.27Å; L19-A40 HydrophobicContact CD2-CB 4.43Å; L19-L43 HydrophobicContact CD2-CB 3.82Å; L19-L43 HydrophobicContact CD2-CD1 4.12Å; L19-L43 HydrophobicContact CG-CD1 4.09Å; L19-I44 HydrophobicContact CD2-CD1 4.16Å; L19-I44 HydrophobicContact CD2-CG1 3.67Å; L19-V48 HydrophobicContact CD1-CG1 4.14Å; L19-V50 HydrophobicContact CB-CG2 3.8Å; L19-V50 HydrophobicContact CD1-CG2 4.01Å; L19-L53 HydrophobicContact CD1-CD1 3.62Å
20T88.6Confident84.8Confident80 Ų8055.6 Ų55.649%0.49132%0.315SS..Hα-helixtrans-82.2-7177.254.90000112.8I16 N17 V18 V22 V50I16-T20 HydrophobicContact CG2-CG2 4.02Å; I16-T20 WeakPolarHBondContact O-CB 3.38Å; I16-T20 VanDerWaalsContact O-CG2 3.26Å; I16-T20 WeakPolarHBondContact O-CG2 3.41Å; I16-T20 PolarHBondContact O-N 3.13Å; I16-T20 PolarHBondContact O-OG1 3.39Å; N17-T20 WeakPolarHBondContact CA-OG1 3.44Å; N17-T20 PolarHBondContact O-OG1 3.41Å; V18-T20 VanDerWaalsContact C-N 3.35Å; V18-T20 PolarHBondContact O-N 3.16Å; T20-V22 VanDerWaalsContact C-N 3.3Å; T20-V22 WeakPolarHBondContact OG1-CG2 3.43Å; T20-V50 HydrophobicContact CG2-CG2 4.32Å
21G87.2Confident84.3Confident63 Ų6358.6 Ų58.665%0.64933%0.327SS*.THydrogen-bonded Turntrans77.213.8-179.800000114.2N17 V18 L19 E23N17-G21 PolarHBondContact O-N 3.46Å; N17-G21 VanDerWaalsContact O-N 3.16Å; V18-G21 PolarHBondContact O-N 3.47Å; L19-G21 VanDerWaalsContact C-N 3.27Å; G21-E23 VanDerWaalsContact C-N 3.35Å
22V89.1Confident83.8Confident105 Ų10557.6 Ų57.664%0.63632%0.321SS*.SBendtrans-67.1-41.7168.5176.10000109.6N17 T20N17-V22 HydrophobicContact CB-CB 3.99Å; N17-V22 HydrophobicContact CB-CG1 4.27Å; N17-V22 WeakPolarHBondContact O-CB 3.39Å; N17-V22 PolarHBondContact O-N 3.32Å; T20-V22 VanDerWaalsContact C-N 3.3Å; T20-V22 WeakPolarHBondContact OG1-CG2 3.43Å
23E86.8Confident83.2Confident74 Ų7458.2 Ų58.235%0.34634%0.336SS..SBendtrans-111141.1172.8-71.2-167106.300111.3N17 V18 G21N17-E23 HydrophobicContact CB-CB 4.32Å; N17-E23 HydrophobicContact CB-CG 4.05Å; N17-E23 PolarHBondContact O-N 3.07Å; V18-E23 WeakPolarHBondContact CA-O 3.27Å; V18-E23 HydrophobicContact CG2-CB 3.85Å; G21-E23 VanDerWaalsContact C-N 3.35Å
24P82.2Confident82.6Confident110 Ų11057.4 Ų57.471%0.71433%0.332SS*.SBendtrans-73.2-33.6-176.228.5-34.2000112.8
25C86.6Confident82.1Confident15 Ų1562.9 Ų62.910%0.10135%0.353CS..EExtended strand (participates in β ladder)trans-163.6153.7-179.956.60000110.5Q37 I38 T39C25-Q37 HydrophobicContact CB-CB 4.47Å; C25-I38 CarbonylContact C-O 3.56Å; C25-I38 WeakPolarHBondContact CA-O 3.48Å; C25-I38 WeakPolarHBondContact CB-O 3.37Å; C25-T39 HydrophobicContact CB-CG2 4.35Å
26L84.5Confident81.7Confident13 Ų1363.7 Ų63.77%0.06836%0.358CS..EExtended strand (participates in β ladder)trans-78.2131.7166.8178.572.2000108.6V10 V14 L15 V18 F28 Q37 I38 L61V10-L26 HydrophobicContact CG1-CD1 3.62Å; V10-L26 HydrophobicContact CG1-CD2 3.74Å; V10-L26 HydrophobicContact CG1-CG 4.35Å; V10-L26 HydrophobicContact CG2-CD2 3.98Å; V14-L26 HydrophobicContact CG1-CD1 3.44Å; V14-L26 VanDerWaalsContact CG1-CD1 3.44Å; L15-L26 HydrophobicContact CD2-CD2 4.07Å; V18-L26 HydrophobicContact CG2-CB 4.23Å; L26-F28 HydrophobicContact CD2-CD1 4.1Å; L26-F28 HydrophobicContact CD2-CE1 4.35Å; L26-F28 HydrophobicContact CG-CD1 4.22Å; L26-Q37 CarbonylContact O-C 3.51Å; L26-Q37 VanDerWaalsContact O-CA 3.25Å; L26-Q37 WeakPolarHBondContact O-CA 3.39Å; L26-I38 HydrophobicContact CB-CB 4.45Å; L26-I38 PolarHBondContact N-O 3.27Å; L26-I38 PolarHBondContact O-N 3.29Å; L26-L61 HydrophobicContact CD2-CD2 4.39Å
27Q82.8Confident81.5Confident109 Ų10966.5 Ų66.551%0.50937%0.37SS..EExtended strand (participates in β ladder)trans-121.2132176.3-50.6-171.447.800110.6V36 Q37Q27-V36 WeakPolarHBondContact CA-O 3.45Å; Q27-Q37 HydrophobicContact CG-CG 3.9Å
28F79.3Confident81.1Confident24 Ų2464.6 Ų64.611%0.10536%0.36CS..EExtended strand (participates in β ladder)trans-146.5167.6177.358.5-94.6000111.1F6 L8 L26 F35 V36 I38 L61 Y72F6-F28 HydrophobicContact CE2-CD2 4.47Å; F6-F28 AromaticContact CE2-CE2 3.75Å; F6-F28 HydrophobicContact CE2-CE2 3.75Å; F6-F28 HydrophobicContact CZ-CE2 4.14Å; L8-F28 HydrophobicContact CD1-CB 4.02Å; L8-F28 HydrophobicContact CD1-CD1 4.33Å; L8-F28 HydrophobicContact CD1-CD2 2.96Å; L8-F28 HydrophobicContact CD1-CE2 3.31Å; L8-F28 HydrophobicContact CD1-CG 3.52Å; L8-F28 HydrophobicContact CD1-CZ 4.15Å; L8-F28 HydrophobicContact CG-CD2 4.44Å; L26-F28 HydrophobicContact CD2-CD1 4.1Å; L26-F28 HydrophobicContact CD2-CE1 4.35Å; L26-F28 HydrophobicContact CG-CD1 4.22Å; F28-F35 WeakPolarHBondContact O-CA 3.3Å; F28-V36 HydrophobicContact CD2-CB 3.89Å; F28-V36 HydrophobicContact CD2-CG1 4.39Å; F28-V36 HydrophobicContact CE1-CB 4.18Å; F28-V36 HydrophobicContact CE1-CG1 3.74Å; F28-V36 HydrophobicContact CE2-CB 3.44Å; F28-V36 VanDerWaalsContact CE2-CB 3.44Å; F28-V36 HydrophobicContact CE2-CG1 3.56Å; F28-V36 HydrophobicContact CE2-CG2 3.99Å; F28-V36 HydrophobicContact CZ-CB 3.6Å; F28-V36 HydrophobicContact CZ-CG1 3.17Å; F28-V36 HydrophobicContact CZ-CG2 4.45Å; F28-V36 PolarHBondContact N-O 3.36Å; F28-V36 PolarHBondContact O-N 3.09Å; F28-I38 HydrophobicContact CE1-CD1 3.62Å; F28-I38 HydrophobicContact CE1-CG1 3.8Å; F28-I38 HydrophobicContact CZ-CD1 3.92Å; F28-I38 HydrophobicContact CZ-CG1 4.26Å; F28-L61 HydrophobicContact CD1-CD2 3.9Å; F28-L61 HydrophobicContact CE1-CD2 3.14Å; F28-L61 HydrophobicContact CE2-CD2 4.21Å; F28-L61 HydrophobicContact CZ-CD2 3.29Å; F28-L61 HydrophobicContact CZ-CG 4.42Å; F28-Y72 HydrophobicContact CZ-CD1 4.49Å; F28-Y72 HydrophobicContact CZ-CE1 4.01Å
29L75.3Confident80.9Confident87 Ų8767.2 Ų67.246%0.45538%0.376SS..EExtended strand (participates in β ladder)trans-94.9127.9173.5-66.1173.2000109.4G33 E34 F35L29-G33 WeakPolarHBondContact CD2-O 3.11Å; L29-E34 WeakPolarHBondContact CA-O 3.37Å; L29-F35 HydrophobicContact CD2-CD1 3.81Å; L29-F35 HydrophobicContact CD2-CD2 3.93Å; L29-F35 HydrophobicContact CD2-CE1 3.78Å; L29-F35 HydrophobicContact CD2-CE2 3.9Å; L29-F35 HydrophobicContact CD2-CG 3.89Å; L29-F35 HydrophobicContact CD2-CZ 3.83Å; L29-F35 HydrophobicContact CG-CE1 4.39Å
30D73.5Confident80.9Confident12 Ų1266.9 Ų66.96%0.06438%0.378CS..  trans-71.1-180170.388.5-26.8000111.1F6 N32 G33 E34 V36 T65F6-D30 HydrophobicContact CE1-CB 4.12Å; F6-D30 HydrophobicContact CE2-CB 4.32Å; F6-D30 HydrophobicContact CZ-CB 3.83Å; D30-N32 VanDerWaalsContact CG-N 3.34Å; D30-N32 PolarHBondContact O-N 3.31Å; D30-N32 VanDerWaalsContact O-N 3.12Å; D30-N32 VanDerWaalsContact OD1-CA 3.27Å; D30-N32 WeakPolarHBondContact OD1-CA 3.48Å; D30-N32 VanDerWaalsContact OD1-CB 3.31Å; D30-N32 WeakPolarHBondContact OD1-CB 3.49Å; D30-N32 PolarHBondContact OD1-N 3.22Å; D30-N32 PolarHBondContact OD2-ND2 3.4Å; D30-G33 PolarHBondContact O-N 3.07Å; D30-G33 PolarHBondContact OD1-N 3.18Å; D30-E34 PolarHBondContact N-O 2.89Å; D30-E34 WeakPolarHBondContact OD1-CB 3.34Å; D30-E34 PolarHBondContact OD1-N 3.18Å; D30-V36 HydrophobicContact CB-CG2 3.92Å; D30-T65 WeakPolarHBondContact OD2-CG2 3.18Å
31K67.8Low80.8Confident80 Ų8065.9 Ų65.935%0.34838%0.377SS..THydrogen-bonded Turntrans-60.3-19.9176.568.3-176.5177.9-170.40114.5E4 F6 T65E4-K31 HydrophobicContact CB-CD 4.38Å; E4-K31 PolarHBondContact O-NZ 3.03Å; F6-K31 HydrophobicContact CB-CB 4.43Å; F6-K31 HydrophobicContact CD1-CD 4.27Å; F6-K31 HydrophobicContact CD1-CG 4.32Å; K31-T65 WeakPolarHBondContact CE-OG1 3.46Å; K31-T65 PolarHBondContact NZ-OG1 3.35Å
32N73.5Confident80.6Confident100 Ų10065.9 Ų65.954%0.53536%0.36SS..THydrogen-bonded Turntrans-91.3-5.3178.4-49.6-41.9000111.8D30 E34D30-N32 VanDerWaalsContact CG-N 3.34Å; D30-N32 PolarHBondContact O-N 3.31Å; D30-N32 VanDerWaalsContact O-N 3.12Å; D30-N32 VanDerWaalsContact OD1-CA 3.27Å; D30-N32 WeakPolarHBondContact OD1-CA 3.48Å; D30-N32 VanDerWaalsContact OD1-CB 3.31Å; D30-N32 WeakPolarHBondContact OD1-CB 3.49Å; D30-N32 PolarHBondContact OD1-N 3.22Å; D30-N32 PolarHBondContact OD2-ND2 3.4Å; N32-E34 VanDerWaalsContact C-N 3.34Å; N32-E34 HydrophobicContact CB-CG 4.2Å
33G74.4Confident80.4Confident48 Ų4860.9 Ų60.950%0.49533%0.33SS..SBendtrans77.420.1-172.400000113.2L29 D30L29-G33 WeakPolarHBondContact CD2-O 3.11Å; D30-G33 PolarHBondContact O-N 3.07Å; D30-G33 PolarHBondContact OD1-N 3.18Å
34E73.2Confident80.2Confident127 Ų12762.2 Ų62.259%0.59334%0.338SS*.  trans-87.2138.8174.2-62.9-162.6111.400110.6L29 D30 N32 V36L29-E34 WeakPolarHBondContact CA-O 3.37Å; D30-E34 PolarHBondContact N-O 2.89Å; D30-E34 WeakPolarHBondContact OD1-CB 3.34Å; D30-E34 PolarHBondContact OD1-N 3.18Å; N32-E34 VanDerWaalsContact C-N 3.34Å; N32-E34 HydrophobicContact CB-CG 4.2Å; E34-V36 PolarHBondContact O-N 3.34Å
35F76.7Confident80.2Confident156 Ų15664.4 Ų64.468%0.68434%0.339SS*.EExtended strand (participates in β ladder)trans-71.8117.8175-77.2-82.1000110F28 L29F28-F35 WeakPolarHBondContact O-CA 3.3Å; L29-F35 HydrophobicContact CD2-CD1 3.81Å; L29-F35 HydrophobicContact CD2-CD2 3.93Å; L29-F35 HydrophobicContact CD2-CE1 3.78Å; L29-F35 HydrophobicContact CD2-CE2 3.9Å; L29-F35 HydrophobicContact CD2-CG 3.89Å; L29-F35 HydrophobicContact CD2-CZ 3.83Å; L29-F35 HydrophobicContact CG-CE1 4.39Å
36V77.8Confident79.7Confident17 Ų1767 Ų6710%0.10335%0.352CS..EExtended strand (participates in β ladder)trans-106.3137.1172.1172.80000108.6Q27 F28 D30 E34 I38 Y72Q27-V36 WeakPolarHBondContact CA-O 3.45Å; F28-V36 HydrophobicContact CD2-CB 3.89Å; F28-V36 HydrophobicContact CD2-CG1 4.39Å; F28-V36 HydrophobicContact CE1-CB 4.18Å; F28-V36 HydrophobicContact CE1-CG1 3.74Å; F28-V36 HydrophobicContact CE2-CB 3.44Å; F28-V36 VanDerWaalsContact CE2-CB 3.44Å; F28-V36 HydrophobicContact CE2-CG1 3.56Å; F28-V36 HydrophobicContact CE2-CG2 3.99Å; F28-V36 HydrophobicContact CZ-CB 3.6Å; F28-V36 HydrophobicContact CZ-CG1 3.17Å; F28-V36 HydrophobicContact CZ-CG2 4.45Å; F28-V36 PolarHBondContact N-O 3.36Å; F28-V36 PolarHBondContact O-N 3.09Å; D30-V36 HydrophobicContact CB-CG2 3.92Å; E34-V36 PolarHBondContact O-N 3.34Å; V36-I38 HydrophobicContact CG1-CG1 4.39Å; V36-Y72 HydrophobicContact CG1-CE1 3.77Å; V36-Y72 WeakPolarHBondContact CG1-OH 3.45Å
37Q84Confident79.4Confident103 Ų10368.9 Ų68.948%0.48138%0.375SS..EExtended strand (participates in β ladder)trans-117.6133.5174.9-54.6-167.5-23.400110.3C25 L26 Q27C25-Q37 HydrophobicContact CB-CB 4.47Å; L26-Q37 CarbonylContact O-C 3.51Å; L26-Q37 VanDerWaalsContact O-CA 3.25Å; L26-Q37 WeakPolarHBondContact O-CA 3.39Å; Q27-Q37 HydrophobicContact CG-CG 3.9Å
38I81.7Confident79.4Confident2 Ų263.8 Ų63.81%0.0135%0.351CS..EExtended strand (participates in β ladder)trans-119.5121173.3-62.5-174.9000109.2C25 L26 F28 V36 Q42 L43 L61 Y72C25-I38 CarbonylContact C-O 3.56Å; C25-I38 WeakPolarHBondContact CA-O 3.48Å; C25-I38 WeakPolarHBondContact CB-O 3.37Å; L26-I38 HydrophobicContact CB-CB 4.45Å; L26-I38 PolarHBondContact N-O 3.27Å; L26-I38 PolarHBondContact O-N 3.29Å; F28-I38 HydrophobicContact CE1-CD1 3.62Å; F28-I38 HydrophobicContact CE1-CG1 3.8Å; F28-I38 HydrophobicContact CZ-CD1 3.92Å; F28-I38 HydrophobicContact CZ-CG1 4.26Å; V36-I38 HydrophobicContact CG1-CG1 4.39Å; I38-Q42 HydrophobicContact CG2-CB 3.92Å; I38-L43 HydrophobicContact CG2-CD2 3.7Å; I38-L43 HydrophobicContact CG2-CG 3.94Å; I38-L61 HydrophobicContact CD1-CD1 3.54Å; I38-L61 HydrophobicContact CD1-CD2 3.38Å; I38-L61 HydrophobicContact CD1-CG 4.09Å; I38-Y72 HydrophobicContact CD1-CD1 3.89Å; I38-Y72 HydrophobicContact CD1-CD2 4.26Å; I38-Y72 HydrophobicContact CD1-CE1 4.28Å; I38-Y72 HydrophobicContact CD1-CG 3.88Å
39T86.5Confident79.7Confident56 Ų5665.4 Ų65.434%0.34436%0.363SS..EExtended strand (participates in β ladder)trans-84.5159.9179.761.70000111.7C25 A41 Q42 L43C25-T39 HydrophobicContact CB-CG2 4.35Å; T39-A41 PolarHBondContact O-N 3.49Å; T39-Q42 PolarHBondContact O-N 3.1Å; T39-Q42 PolarHBondContact OG1-N 2.84Å; T39-Q42 PolarHBondContact OG1-OE1 3.19Å; T39-Q42 VanDerWaalsContact OG1-OE1 3.07Å; T39-L43 PolarHBondContact O-N 3.4Å; T39-L43 VanDerWaalsContact O-N 3.07Å
40A86.9Confident80.1Confident24 Ų2463.6 Ų63.620%0.19836%0.355CS..Hα-helixtrans-54.5-36.717300000112.8V18 L19 Q42 L43 I44V18-A40 HydrophobicContact CG1-CB 3.98Å; V18-A40 WeakPolarHBondContact O-CB 3.26Å; L19-A40 HydrophobicContact CD2-CB 4.43Å; A40-Q42 PolarHBondContact O-N 3.24Å; A40-L43 WeakPolarHBondContact O-CB 3.26Å; A40-L43 PolarHBondContact O-N 3.39Å; A40-I44 WeakPolarHBondContact O-CD1 3.48Å; A40-I44 VanDerWaalsContact O-CG1 3.26Å; A40-I44 WeakPolarHBondContact O-CG1 3.36Å; A40-I44 PolarHBondContact O-N 2.82Å
41A87Confident80.6Confident58 Ų5869.8 Ų69.848%0.47938%0.384SS..Hα-helixtrans-59.4-47176.200000111.4T39 L43 I44 E45T39-A41 PolarHBondContact O-N 3.49Å; A41-L43 VanDerWaalsContact C-N 3.34Å; A41-L43 PolarHBondContact O-N 3.41Å; A41-I44 PolarHBondContact O-N 3.19Å; A41-E45 WeakPolarHBondContact O-CG 3.43Å; A41-E45 PolarHBondContact O-N 3.15Å
42Q83.3Confident81.2Confident64 Ų6467.4 Ų67.430%0.29938%0.379SS..Hα-helixtrans-65.7-36.3178.2-71.5166.6-51.400112.4I38 T39 A40 E45 N46I38-Q42 HydrophobicContact CG2-CB 3.92Å; T39-Q42 PolarHBondContact O-N 3.1Å; T39-Q42 PolarHBondContact OG1-N 2.84Å; T39-Q42 PolarHBondContact OG1-OE1 3.19Å; T39-Q42 VanDerWaalsContact OG1-OE1 3.07Å; A40-Q42 PolarHBondContact O-N 3.24Å; Q42-E45 PolarHBondContact O-N 2.87Å; Q42-N46 WeakPolarHBondContact O-CB 3.48Å; Q42-N46 PolarHBondContact O-N 2.73Å; Q42-N46 VanDerWaalsContact O-N 3.09Å; Q42-N46 PolarHBondContact O-ND2 3.33Å
43L84.2Confident81.8Confident0 Ų062.7 Ų62.70%035%0.354CS..Hα-helixtrans-60.2-47.5173-66.5179.5000110.7L15 V18 L19 I38 T39 A40 A41 N46 G47 V48 L74L15-L43 HydrophobicContact CD2-CD1 3.86Å; L15-L43 HydrophobicContact CD2-CD2 3.83Å; V18-L43 HydrophobicContact CB-CD1 4.13Å; V18-L43 HydrophobicContact CG1-CD1 3.75Å; L19-L43 HydrophobicContact CD2-CB 3.82Å; L19-L43 HydrophobicContact CD2-CD1 4.12Å; L19-L43 HydrophobicContact CG-CD1 4.09Å; I38-L43 HydrophobicContact CG2-CD2 3.7Å; I38-L43 HydrophobicContact CG2-CG 3.94Å; T39-L43 PolarHBondContact O-N 3.4Å; T39-L43 VanDerWaalsContact O-N 3.07Å; A40-L43 WeakPolarHBondContact O-CB 3.26Å; A40-L43 PolarHBondContact O-N 3.39Å; A41-L43 VanDerWaalsContact C-N 3.34Å; A41-L43 PolarHBondContact O-N 3.41Å; L43-N46 CarbonylContact O-C 3.53Å; L43-N46 PolarHBondContact O-N 2.89Å; L43-G47 PolarHBondContact O-N 3.2Å; L43-V48 HydrophobicContact CB-CB 4.11Å; L43-V48 VanDerWaalsContact O-CB 3.3Å; L43-V48 WeakPolarHBondContact O-CB 3.41Å; L43-V48 PolarHBondContact O-N 2.9Å; L43-L74 HydrophobicContact CD2-CD1 3.33Å
44I83.6Confident82Confident101 Ų10167.1 Ų67.152%0.51836%0.361SS..Hα-helixtrans-65.8-40.5179.4-65.2163.8000111.3L19 A40 A41 N46 G47L19-I44 HydrophobicContact CD2-CD1 4.16Å; L19-I44 HydrophobicContact CD2-CG1 3.67Å; A40-I44 WeakPolarHBondContact O-CD1 3.48Å; A40-I44 VanDerWaalsContact O-CG1 3.26Å; A40-I44 WeakPolarHBondContact O-CG1 3.36Å; A40-I44 PolarHBondContact O-N 2.82Å; A41-I44 PolarHBondContact O-N 3.19Å; I44-N46 PolarHBondContact O-N 3.22Å; I44-G47 PolarHBondContact O-N 3.07Å
45E82.4Confident82.3Confident157 Ų15764.4 Ų64.473%0.73435%0.351SS*.Hα-helixtrans-60.2-32.1175-75.1179.9118.100112.1A41 Q42 G47A41-E45 WeakPolarHBondContact O-CG 3.43Å; A41-E45 PolarHBondContact O-N 3.15Å; Q42-E45 PolarHBondContact O-N 2.87Å; E45-G47 VanDerWaalsContact C-N 3.27Å; E45-G47 PolarHBondContact O-N 3.48Å
46N76Confident82.3Confident70 Ų7057.6 Ų57.637%0.37432%0.323SS..THydrogen-bonded Turntrans-83.74.7173.6-78.8-76.1000114.1Q42 L43 I44 Y72 L74Q42-N46 WeakPolarHBondContact O-CB 3.48Å; Q42-N46 PolarHBondContact O-N 2.73Å; Q42-N46 VanDerWaalsContact O-N 3.09Å; Q42-N46 PolarHBondContact O-ND2 3.33Å; L43-N46 CarbonylContact O-C 3.53Å; L43-N46 PolarHBondContact O-N 2.89Å; I44-N46 PolarHBondContact O-N 3.22Å; N46-Y72 PolarHBondContact OD1-O 2.79Å; N46-L74 HydrophobicContact CB-CD1 4.42Å
47G78.7Confident82.1Confident52 Ų5262.5 Ų62.554%0.53635%0.345SS..THydrogen-bonded Turntrans80.812.7178.800000114.8L43 I44 E45 T49L43-G47 PolarHBondContact O-N 3.2Å; I44-G47 PolarHBondContact O-N 3.07Å; E45-G47 VanDerWaalsContact C-N 3.27Å; E45-G47 PolarHBondContact O-N 3.48Å; G47-T49 PolarHBondContact O-N 3Å
48V81.9Confident81.6Confident1 Ų163.1 Ų63.11%0.00634%0.343CS..  trans-81.5116.9175.5-173.80000109.4L19 L43 L53 L74 I76L19-V48 HydrophobicContact CD1-CG1 4.14Å; L43-V48 HydrophobicContact CB-CB 4.11Å; L43-V48 VanDerWaalsContact O-CB 3.3Å; L43-V48 WeakPolarHBondContact O-CB 3.41Å; L43-V48 PolarHBondContact O-N 2.9Å; V48-L53 HydrophobicContact CG1-CD1 3.96Å; V48-L53 HydrophobicContact CG1-CD2 3.83Å; V48-L53 HydrophobicContact CG1-CG 3.9Å; V48-L74 HydrophobicContact CG2-CB 3.74Å; V48-L74 HydrophobicContact CG2-CD1 3.7Å; V48-L74 HydrophobicContact CG2-CG 4.27Å; V48-I76 HydrophobicContact CB-CD1 4.31Å; V48-I76 HydrophobicContact CG1-CD1 4Å; V48-I76 HydrophobicContact CG2-CD1 4.05Å
49T84.5Confident81Confident59 Ų5963 Ų6336%0.36234%0.342SS..  trans-121.4158.7175.865.70000110.4G47 E51 A52 L53G47-T49 PolarHBondContact O-N 3Å; T49-E51 VanDerWaalsContact C-N 3.26Å; T49-E51 PolarHBondContact O-N 2.92Å; T49-A52 WeakPolarHBondContact O-CB 3.42Å; T49-A52 PolarHBondContact O-N 2.86Å; T49-A52 WeakPolarHBondContact OG1-CB 3.46Å; T49-A52 PolarHBondContact OG1-N 3.36Å; T49-L53 WeakPolarHBondContact O-CG 3.25Å; T49-L53 PolarHBondContact O-N 3.16Å
50V84Confident80.2Confident48 Ų4862.8 Ų62.829%0.29134%0.337SS..Hα-helixtrans-56.5-44.3176.4178.30000110.5I16 L19 T20 A52 L53 E54I16-V50 HydrophobicContact CG2-CG1 4.4Å; L19-V50 HydrophobicContact CB-CG2 3.8Å; L19-V50 HydrophobicContact CD1-CG2 4.01Å; T20-V50 HydrophobicContact CG2-CG2 4.32Å; V50-A52 VanDerWaalsContact C-N 3.28Å; V50-A52 PolarHBondContact O-N 2.95Å; V50-L53 PolarHBondContact O-N 3.2Å; V50-L53 VanDerWaalsContact O-N 3.07Å; V50-E54 HydrophobicContact CG1-CG 4.34Å; V50-E54 WeakPolarHBondContact O-CG 3.4Å; V50-E54 PolarHBondContact O-N 3.48Å
51E84.2Confident79.3Confident143 Ų14361.6 Ų61.667%0.66833%0.328SS*.Hα-helixtrans-59.2-38176.9-60.3177.4117.600112.4T49 L55T49-E51 VanDerWaalsContact C-N 3.26Å; T49-E51 PolarHBondContact O-N 2.92Å; E51-L55 WeakPolarHBondContact O-CG 3.44Å; E51-L55 PolarHBondContact O-N 2.99Å
52A81.8Confident78.1Confident29 Ų2962.4 Ų62.424%0.2432%0.321CS..Hα-helixtrans-68.8-37.3176.700000111.7T49 V50 L55 A56 I76T49-A52 WeakPolarHBondContact O-CB 3.42Å; T49-A52 PolarHBondContact O-N 2.86Å; T49-A52 WeakPolarHBondContact OG1-CB 3.46Å; T49-A52 PolarHBondContact OG1-N 3.36Å; V50-A52 VanDerWaalsContact C-N 3.28Å; V50-A52 PolarHBondContact O-N 2.95Å; A52-L55 PolarHBondContact O-N 3.29Å; A52-A56 WeakPolarHBondContact O-CB 3.35Å; A52-A56 PolarHBondContact O-N 2.85Å; A52-A56 VanDerWaalsContact O-N 3.07Å; A52-I76 HydrophobicContact CB-CD1 3.96Å
53L84.5Confident77Confident2 Ų259.3 Ų59.31%0.0131%0.307CS..Hα-helixtrans-72.4-36.2178-64.9172.2000112.6L12 L15 I16 L19 V48 T49 V50 L55 A56 A59 I76L12-L53 HydrophobicContact CD2-CB 4.39Å; L12-L53 HydrophobicContact CD2-CD2 3.62Å; L15-L53 HydrophobicContact CB-CD1 3.5Å; L15-L53 HydrophobicContact CB-CD2 4.17Å; L15-L53 HydrophobicContact CD1-CD2 3.78Å; I16-L53 HydrophobicContact CD1-CB 4.31Å; I16-L53 HydrophobicContact CG1-CB 3.99Å; I16-L53 HydrophobicContact CG1-CD1 3.81Å; L19-L53 HydrophobicContact CD1-CD1 3.62Å; V48-L53 HydrophobicContact CG1-CD1 3.96Å; V48-L53 HydrophobicContact CG1-CD2 3.83Å; V48-L53 HydrophobicContact CG1-CG 3.9Å; T49-L53 WeakPolarHBondContact O-CG 3.25Å; T49-L53 PolarHBondContact O-N 3.16Å; V50-L53 PolarHBondContact O-N 3.2Å; V50-L53 VanDerWaalsContact O-N 3.07Å; L53-L55 PolarHBondContact O-N 3.46Å; L53-A56 WeakPolarHBondContact O-CB 3.33Å; L53-A56 PolarHBondContact O-N 3.44Å; L53-A56 VanDerWaalsContact O-N 3.09Å; L53-A59 HydrophobicContact CD2-CB 4.27Å; L53-I76 HydrophobicContact CD2-CD1 4.31Å
54E79.8Confident75.6Confident141 Ų14161 Ų6166%0.65932%0.319SS*.Hα-helixtrans-63.1-29.2174.9-73.2-176.1123.800112.5V50V50-E54 HydrophobicContact CG1-CG 4.34Å; V50-E54 WeakPolarHBondContact O-CG 3.4Å; V50-E54 PolarHBondContact O-N 3.48Å
55L78.9Confident73.8Confident70 Ų7057.8 Ų57.837%0.36630%0.304SS..THydrogen-bonded Turntrans-89.9-13175.3-63.7175000113.1E51 A52 L53 M86E51-L55 WeakPolarHBondContact O-CG 3.44Å; E51-L55 PolarHBondContact O-N 2.99Å; A52-L55 PolarHBondContact O-N 3.29Å; L53-L55 PolarHBondContact O-N 3.46Å; L55-M86 HydrophobicContact CD1-CE 3.73Å; L55-M86 HydrophobicContact CD1-SD 3.69Å
56A76.2Confident71.8Confident12 Ų1253.1 Ų53.110%0.09929%0.288CS..EExtended strand (participates in β ladder)trans-80145.1178.800000110.5L12 A52 L53 I76L12-A56 HydrophobicContact CD1-CB 4.17Å; L12-A56 WeakPolarHBondContact CD1-O 3.37Å; L12-A56 HydrophobicContact CD2-CB 3.84Å; A52-A56 WeakPolarHBondContact O-CB 3.35Å; A52-A56 PolarHBondContact O-N 2.85Å; A52-A56 VanDerWaalsContact O-N 3.07Å; L53-A56 WeakPolarHBondContact O-CB 3.33Å; L53-A56 PolarHBondContact O-N 3.44Å; L53-A56 VanDerWaalsContact O-N 3.09Å; A56-I76 HydrophobicContact CB-CG2 3.33Å
57E74.1Confident70.3Confident121 Ų12156.3 Ų56.357%0.56531%0.311SS*.EExtended strand (participates in β ladder)trans-92.4-29.3166.6-177.1177.6176.700111.3N79E57-N79 HydrophobicContact CB-CB 4.29Å; E57-N79 PolarHBondContact OE2-ND2 3.05Å
58R73.4Confident68.8Low115 Ų11562.3 Ų62.343%0.43433%0.325SS..EExtended strand (participates in β ladder)trans-149149.9178.361.8177.6-175.6-101.1-4.4110.6E60R58-E60 IonicContact NE-OE2 3.27Å; R58-E60 PolarHBondContact NE-OE2 3.21Å
59A68.7Low67.2Low1 Ų170.1 Ų70.11%0.00836%0.361CS..EExtended strand (participates in β ladder)trans-119.3127.5168.900000109V10 L12 L15 L53V10-A59 PolarHBondContact N-O 3.02Å; V10-A59 VanDerWaalsContact N-O 3.15Å; L12-A59 HydrophobicContact CD2-CB 3.62Å; L15-A59 HydrophobicContact CD1-CB 3.29Å; L53-A59 HydrophobicContact CD2-CB 4.27Å
60E71.2Confident65.6Low50 Ų5070.8 Ų70.823%0.23437%0.365CS..EExtended strand (participates in β ladder)trans-113.7128178.7-70.6174.7100.100107.3I7 R58 L74 P75I7-E60 HydrophobicContact CG2-CB 3.84Å; I7-E60 HydrophobicContact CG2-CG 4.14Å; R58-E60 IonicContact NE-OE2 3.27Å; R58-E60 PolarHBondContact NE-OE2 3.21Å; E60-L74 WeakPolarHBondContact O-CA 3.49Å; E60-P75 HydrophobicContact CB-CG 4.16Å; E60-P75 PolarHBondContact N-O 2.89Å; E60-P75 WeakPolarHBondContact O-CD 3.14Å
61L66.9Low64.1Low0 Ų075.5 Ų75.50%038%0.384CS..EExtended strand (participates in β ladder)trans-102.6110.7176.9175.565.6000109I7 L8 V10 L26 F28 I38 Y72 L74I7-L61 WeakPolarHBondContact CA-O 3.15Å; L8-L61 HydrophobicContact CB-CB 4.46Å; L8-L61 PolarHBondContact N-O 3.3Å; L8-L61 PolarHBondContact O-N 3.26Å; V10-L61 HydrophobicContact CG2-CB 4.13Å; L26-L61 HydrophobicContact CD2-CD2 4.39Å; F28-L61 HydrophobicContact CD1-CD2 3.9Å; F28-L61 HydrophobicContact CE1-CD2 3.14Å; F28-L61 HydrophobicContact CE2-CD2 4.21Å; F28-L61 HydrophobicContact CZ-CD2 3.29Å; F28-L61 HydrophobicContact CZ-CG 4.42Å; I38-L61 HydrophobicContact CD1-CD1 3.54Å; I38-L61 HydrophobicContact CD1-CD2 3.38Å; I38-L61 HydrophobicContact CD1-CG 4.09Å; L61-Y72 HydrophobicContact CD1-CD1 4.26Å; L61-Y72 HydrophobicContact CD1-CG 4.49Å; L61-L74 HydrophobicContact CB-CD2 3.61Å; L61-L74 HydrophobicContact CB-CG 4.44Å; L61-L74 HydrophobicContact CD1-CD1 3.94Å; L61-L74 HydrophobicContact CD1-CD2 3.53Å; L61-L74 HydrophobicContact CD1-CG 3.46Å; L61-L74 VanDerWaalsContact CD1-CG 3.46Å; L61-L74 HydrophobicContact CG-CD2 4.11Å
62E62.9Low62.8Low74 Ų7470.1 Ų70.135%0.34636%0.358SS..EExtended strand (participates in β ladder)trans-92111.5173.3-168.5174.590.900109.3A5 F6 I7 Y72 S73A5-E62 HydrophobicContact CB-CG 4.04Å; F6-E62 WeakPolarHBondContact O-CA 3.31Å; I7-E62 HydrophobicContact CG1-CG 4.43Å; E62-Y72 CarbonylContact O-C 3.59Å; E62-Y72 WeakPolarHBondContact O-CA 2.95Å; E62-S73 WeakPolarHBondContact CA-O 3.5Å; E62-S73 WeakPolarHBondContact CB-O 3.28Å; E62-S73 PolarHBondContact N-O 2.83Å; E62-S73 PolarHBondContact O-N 3.17Å
63G60.1Low61.6Low0 Ų071.2 Ų71.20%036%0.364CS..EExtended strand (participates in β ladder)trans-105.1136174.900000111.3A5 F6A5-G63 WeakPolarHBondContact CA-O 3.41Å; F6-G63 WeakPolarHBondContact CD1-O 2.9Å; F6-G63 VanDerWaalsContact CE1-O 3.28Å; F6-G63 WeakPolarHBondContact CE1-O 3.27Å; F6-G63 PolarHBondContact N-O 3.06Å; F6-G63 PolarHBondContact O-N 2.81Å
64S53.4Low60.4Low34 Ų3472 Ų7224%0.23837%0.368CS..EExtended strand (participates in β ladder)trans-113.2108.4168.6-73.50000110.1S66 E71S64-S66 VanDerWaalsContact C-N 3.34Å; S64-S66 PolarHBondContact O-N 3.45Å; S64-E71 PolarHBondContact N-O 2.93Å
65T46.3Very low59.2Low35 Ų3568.3 Ų68.322%0.21536%0.356CS..EExtended strand (participates in β ladder)trans-74.987.3170.262.30000109.3F6 D30 K31F6-T65 HydrophobicContact CE1-CG2 3.72Å; D30-T65 WeakPolarHBondContact OD2-CG2 3.18Å; K31-T65 WeakPolarHBondContact CE-OG1 3.46Å; K31-T65 PolarHBondContact NZ-OG1 3.35Å
66S41.4Very low58.2Low58 Ų5867.1 Ų67.141%0.40635%0.35SS..  trans-92.9134.6161.8-165.90000107.9S64 E68 E69S64-S66 VanDerWaalsContact C-N 3.34Å; S64-S66 PolarHBondContact O-N 3.45Å; S66-E68 PolarHBondContact O-N 2.92Å; S66-E69 PolarHBondContact O-N 3.31Å
67T44.2Very low57.2Low138 Ų13868.5 Ų68.585%0.84736%0.358SS*.SBendtrans-62.27.3-174.841.40000115.3
68E46.5Very low55.9Low178 Ų17865.4 Ų65.483%0.83235%0.349SS*.SBendtrans-128.7-31.6-178-123.2158.992.400113.4S66S66-E68 PolarHBondContact O-N 2.92Å
69E49.4Very low54.5Low165 Ų16562.3 Ų62.377%0.77134%0.341SS*.  trans-154129.7177-62.5-177.498.800107.4S66 E71S66-E69 PolarHBondContact O-N 3.31Å; E69-E71 PolarHBondContact O-N 2.9Å
70T49.9Very low53.4Low72 Ų7270.7 Ų70.744%0.44238%0.38SS..EExtended strand (participates in β ladder)trans-87.7108.9174.1-39.20000109.2Y72T70-Y72 HydrophobicContact CG2-CD1 4.39Å; T70-Y72 HydrophobicContact CG2-CD2 4.44Å; T70-Y72 HydrophobicContact CG2-CE1 3.62Å; T70-Y72 HydrophobicContact CG2-CE2 3.69Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.33Å
71E53.5Low52.1Low147 Ų14773 Ų7369%0.68740%0.402SS*.EExtended strand (participates in β ladder)trans-93.4125.9174.3-161.9172.987.700108.4S64 E69S64-E71 PolarHBondContact N-O 2.93Å; E69-E71 PolarHBondContact O-N 2.9Å
72Y55.7Low50.9Low31 Ų3178.5 Ų78.512%0.12243%0.428CS..EExtended strand (participates in β ladder)trans-113132.5176.4-59.4-76.2000108.3F28 V36 I38 N46 L61 E62 T70F28-Y72 HydrophobicContact CZ-CD1 4.49Å; F28-Y72 HydrophobicContact CZ-CE1 4.01Å; V36-Y72 HydrophobicContact CG1-CE1 3.77Å; V36-Y72 WeakPolarHBondContact CG1-OH 3.45Å; I38-Y72 HydrophobicContact CD1-CD1 3.89Å; I38-Y72 HydrophobicContact CD1-CD2 4.26Å; I38-Y72 HydrophobicContact CD1-CE1 4.28Å; I38-Y72 HydrophobicContact CD1-CG 3.88Å; N46-Y72 PolarHBondContact OD1-O 2.79Å; L61-Y72 HydrophobicContact CD1-CD1 4.26Å; L61-Y72 HydrophobicContact CD1-CG 4.49Å; E62-Y72 CarbonylContact O-C 3.59Å; E62-Y72 WeakPolarHBondContact O-CA 2.95Å; T70-Y72 HydrophobicContact CG2-CD1 4.39Å; T70-Y72 HydrophobicContact CG2-CD2 4.44Å; T70-Y72 HydrophobicContact CG2-CE1 3.62Å; T70-Y72 HydrophobicContact CG2-CE2 3.69Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.33Å
73S57.5Low49.9Very low52 Ų5280.1 Ų80.136%0.36444%0.436SS..EExtended strand (participates in β ladder)trans-121.4130.8171.6-72.70000108.7E62 P75E62-S73 WeakPolarHBondContact CA-O 3.5Å; E62-S73 WeakPolarHBondContact CB-O 3.28Å; E62-S73 PolarHBondContact N-O 2.83Å; E62-S73 PolarHBondContact O-N 3.17Å; S73-P75 WeakPolarHBondContact O-CD 3.03Å
74L57.6Low49Very low19 Ų1985 Ų8510%0.09947%0.47CS..  trans-110.388180-81.6150.2000110.3L43 N46 V48 E60 L61 I76L43-L74 HydrophobicContact CD2-CD1 3.33Å; N46-L74 HydrophobicContact CB-CD1 4.42Å; V48-L74 HydrophobicContact CG2-CB 3.74Å; V48-L74 HydrophobicContact CG2-CD1 3.7Å; V48-L74 HydrophobicContact CG2-CG 4.27Å; E60-L74 WeakPolarHBondContact O-CA 3.49Å; L61-L74 HydrophobicContact CB-CD2 3.61Å; L61-L74 HydrophobicContact CB-CG 4.44Å; L61-L74 HydrophobicContact CD1-CD1 3.94Å; L61-L74 HydrophobicContact CD1-CD2 3.53Å; L61-L74 HydrophobicContact CD1-CG 3.46Å; L61-L74 VanDerWaalsContact CD1-CG 3.46Å; L61-L74 HydrophobicContact CG-CD2 4.11Å; L74-I76 PolarHBondContact O-N 3.47Å
75P56.5Low48.4Very low63 Ų6391.7 Ų91.741%0.40950%0.495SS..  trans-66.4112.6167.725.5-34000110.8E60 S73E60-P75 HydrophobicContact CB-CG 4.16Å; E60-P75 PolarHBondContact N-O 2.89Å; E60-P75 WeakPolarHBondContact O-CD 3.14Å; S73-P75 WeakPolarHBondContact O-CD 3.03Å
76I57Low48.1Very low45 Ų4596.2 Ų96.223%0.23152%0.516CS..EExtended strand (participates in β ladder)trans-93.2119.7168-56.2174.6000107.8V48 A52 L53 A56 L74 P78V48-I76 HydrophobicContact CB-CD1 4.31Å; V48-I76 HydrophobicContact CG1-CD1 4Å; V48-I76 HydrophobicContact CG2-CD1 4.05Å; A52-I76 HydrophobicContact CB-CD1 3.96Å; L53-I76 HydrophobicContact CD2-CD1 4.31Å; A56-I76 HydrophobicContact CB-CG2 3.33Å; L74-I76 PolarHBondContact O-N 3.47Å; I76-P78 VanDerWaalsContact O-CD 3.29Å; I76-P78 WeakPolarHBondContact O-CD 3.48Å
77S54.9Low48Very low40 Ų4099.8 Ų99.828%0.2853%0.526SS..EExtended strand (participates in β ladder)trans-94.5108.7174.4-70.60000110
78P46.5Very low47.8Very low57 Ų57100 Ų10037%0.3752%0.522SS..EExtended strand (participates in β ladder)trans-67.6137.6169.827.9-32.8000109.5I76 E80 M83I76-P78 VanDerWaalsContact O-CD 3.29Å; I76-P78 WeakPolarHBondContact O-CD 3.48Å; P78-E80 PolarHBondContact O-N 3.32Å; P78-E80 VanDerWaalsContact O-N 3.13Å; P78-M83 HydrophobicContact CB-CG 4.25Å; P78-M83 HydrophobicContact CB-SD 4.14Å; P78-M83 HydrophobicContact CG-CE 3.82Å; P78-M83 HydrophobicContact CG-CG 4.4Å; P78-M83 HydrophobicContact CG-SD 3.75Å
79N44.3Very low47.4Very low50 Ų5097 Ų9727%0.26752%0.52SS..  trans-58.2119.2173.5-176.6-58.8000109.1E57 S81 Q82E57-N79 HydrophobicContact CB-CB 4.29Å; E57-N79 PolarHBondContact OE2-ND2 3.05Å; N79-S81 PolarHBondContact O-N 2.99Å; N79-S81 VanDerWaalsContact OD1-CA 3.27Å; N79-S81 WeakPolarHBondContact OD1-CA 3.31Å; N79-S81 WeakPolarHBondContact OD1-CB 3.27Å; N79-S81 PolarHBondContact OD1-N 3.17Å; N79-Q82 PolarHBondContact O-N 2.83Å
80E45.6Very low46.9Very low177 Ų17796.4 Ų96.483%0.82752%0.515SS*.THydrogen-bonded Turntrans-57.1-15.1-179.7-68.2-176.890.500112.9P78P78-E80 PolarHBondContact O-N 3.32Å; P78-E80 VanDerWaalsContact O-N 3.13Å
81S44.1Very low46.2Very low98 Ų98104.1 Ų104.169%0.68554%0.536SS*.THydrogen-bonded Turntrans-84.1-7.3178.4-153.60000114.9N79N79-S81 PolarHBondContact O-N 2.99Å; N79-S81 VanDerWaalsContact OD1-CA 3.27Å; N79-S81 WeakPolarHBondContact OD1-CA 3.31Å; N79-S81 WeakPolarHBondContact OD1-CB 3.27Å; N79-S81 PolarHBondContact OD1-N 3.17Å
82Q41.8Very low45.5Very low116 Ų116102.8 Ų102.854%0.54254%0.54SS..THydrogen-bonded Turntrans-113-10.5173.6-78.1-16972.400114.5N79 S84 F85N79-Q82 PolarHBondContact O-N 2.83Å; Q82-S84 PolarHBondContact O-N 2.82Å; Q82-F85 PolarHBondContact O-N 3.07Å
83M42.4Very low44.8Very low107 Ų107106.9 Ų106.953%0.52757%0.568SS.*Hα-helixtrans-66.4-4.8178.7-68.9-126.1-87.900114.6P78 F85P78-M83 HydrophobicContact CB-CG 4.25Å; P78-M83 HydrophobicContact CB-SD 4.14Å; P78-M83 HydrophobicContact CG-CE 3.82Å; P78-M83 HydrophobicContact CG-CG 4.4Å; P78-M83 HydrophobicContact CG-SD 3.75Å; M83-F85 VanDerWaalsContact C-N 3.35Å
84S40.8Very low44.1Very low103 Ų103110.7 Ų110.772%0.7259%0.592SS**Hα-helixtrans-79.9-8.1169.3-64.60000114.6Q82Q82-S84 PolarHBondContact O-N 2.82Å
85F40.9Very low43.4Very low174 Ų174114.6 Ų114.676%0.76362%0.62SS**Hα-helixtrans-95.1-26.5177.7-79.3-86.9000114Q82 M83Q82-F85 PolarHBondContact O-N 3.07Å; M83-F85 VanDerWaalsContact C-N 3.35Å
86M40Very low42.6Very low130 Ų130118 Ų11864%0.6464%0.642SS**Hα-helixtrans-91.6-14.1-180-9115382.400114.5L55 N88 C89L55-M86 HydrophobicContact CD1-CE 3.73Å; L55-M86 HydrophobicContact CD1-SD 3.69Å; M86-N88 PolarHBondContact O-N 3.07Å; M86-C89 PolarHBondContact O-N 3.43Å
87E39.9Very low41.8Very low134 Ų134120.1 Ų120.163%0.62666%0.661SS**G310 helixtrans-79.2-2.7176.6-127.1-173.3123.900114.6C89 K90E87-C89 VanDerWaalsContact C-N 3.32Å; E87-K90 HydrophobicContact CG-CD 4.49Å; E87-K90 IonicContact OE1-NZ 2.8Å; E87-K90 PolarHBondContact OE1-NZ 2.92Å
88N39.9Very low41.1Very low142 Ų142126.7 Ų126.776%0.75969%0.689SS**G310 helixtrans-85.62.1170.6-157.569.9000113.8M86 K90M86-N88 PolarHBondContact O-N 3.07Å; N88-K90 VanDerWaalsContact C-N 3.27Å; N88-K90 PolarHBondContact O-N 3.07Å
89C37.2Very low41Very low116 Ų116133.4 Ų133.478%0.78471%0.709SS**G310 helixtrans-86.812172.1-73.10000113.7M86 E87 R91M86-C89 PolarHBondContact O-N 3.43Å; E87-C89 VanDerWaalsContact C-N 3.32Å; C89-R91 PolarHBondContact O-N 3.22Å
90K38.8Very low40.9Very low152 Ų152137.8 Ų137.866%0.66174%0.737SS**SBendtrans-82.489.5166.6-91.8154.7168.8173.10110.1E87 N88E87-K90 HydrophobicContact CG-CD 4.49Å; E87-K90 IonicContact OE1-NZ 2.8Å; E87-K90 PolarHBondContact OE1-NZ 2.92Å; N88-K90 VanDerWaalsContact C-N 3.27Å; N88-K90 PolarHBondContact O-N 3.07Å
91R34.7Very low41.2Very low234 Ų234135.3 Ų135.388%0.88373%0.734SS**  trans42.192.7156.8-81.6-175.9-101.5157.1-7.8116.4C89 T93C89-R91 PolarHBondContact O-N 3.22Å; R91-T93 PolarHBondContact O-N 2.84Å
92P38.9Very low41.5Very low119 Ų119139.4 Ų139.477%0.77374%0.743SS**  trans-75.3114.4146.930.5-25.2000107.6
93T42.7Very low41.9Very low117 Ų117141.4 Ų141.472%0.71875%0.752SS**  trans-48.6138.5159.436.40000109R91 S95R91-T93 PolarHBondContact O-N 2.84Å; T93-S95 PolarHBondContact O-N 3.09Å
94P42.3Very low42.6Very low132 Ų132141.8 Ų141.886%0.85776%0.763SS**  trans-68.796.4-17627.7-32.7000109.3
95S41.9Very low43.1Very low100 Ų100144.6 Ų144.670%0.69976%0.764SS**  trans-90.3119.9157.7-71.20000107.1T93 S97T93-S95 PolarHBondContact O-N 3.09Å; S95-S97 PolarHBondContact O-N 2.83Å
96P40.6Very low43.8Very low134 Ų134140.5 Ų140.587%0.8776%0.755SS**  trans-76.6101.2-178.931.4-29.7000107.5
97S40.4Very low44.3Very low90 Ų90139.1 Ų139.163%0.62975%0.75SS**  trans-126.3110167.7-155.60000108.5S95 Y99S95-S97 PolarHBondContact O-N 2.83Å; S97-Y99 PolarHBondContact O-N 3.12Å; S97-Y99 WeakPolarHBondContact OG-CE2 3.36Å
98M40.4Very low45Very low178 Ų178137.3 Ų137.388%0.87775%0.753SS**  trans-64.7107.8179.7-61.2-150.5-62.200110.1
99Y43.4Very low45.4Very low199 Ų199138.9 Ų138.978%0.7875%0.748SS**  trans-139.3118.6159.1-69.6-78.3000108.9S97 V101S97-Y99 PolarHBondContact O-N 3.12Å; S97-Y99 WeakPolarHBondContact OG-CE2 3.36Å; Y99-V101 PolarHBondContact O-N 2.81Å
100T42.1Very low46Very low141 Ų141137.6 Ų137.687%0.86573%0.733SS**  trans-46.4116.2179-45.40000111.5E102T100-E102 PolarHBondContact O-N 2.98Å
101V53.2Low46.5Very low125 Ų125133.9 Ų133.976%0.75872%0.72SS**  trans-79.2108.4164.2175.40000106.1Y99 E103Y99-V101 PolarHBondContact O-N 2.81Å; V101-E103 PolarHBondContact O-N 3.02Å
102E49.8Very low47.1Very low185 Ų185133.3 Ų133.386%0.86472%0.718SS**  trans-66.5110.8154.7-79.4-165.195.100106.7T100 P104T100-E102 PolarHBondContact O-N 2.98Å; E102-P104 VanDerWaalsContact O-CD 3.31Å; E102-P104 WeakPolarHBondContact O-CD 3.09Å
103E50.4Low47.7Very low157 Ų157133.5 Ų133.573%0.73471%0.712SS**PPolyproline II helixtrans-69116.2176.9-170.2178.4107.600108.9V101 E105V101-E103 PolarHBondContact O-N 3.02Å; E103-E105 PolarHBondContact O-N 2.77Å
104P56Low47.9Very low116 Ų116136.7 Ų136.775%0.75371%0.711SS**PPolyproline II helixtrans-71.4119.1167.927.3-29.6000108.7E102E102-P104 VanDerWaalsContact O-CD 3.31Å; E102-P104 WeakPolarHBondContact O-CD 3.09Å
105E52.4Low48.3Very low162 Ų162138.1 Ų138.176%0.75771%0.706SS**PPolyproline II helixtrans-55.7135.9-173.8-64.2-159.211200112.7E103 N107E103-E105 PolarHBondContact O-N 2.77Å; E105-N107 PolarHBondContact O-N 3.04Å
106P55.4Low48.7Very low88 Ų88137.7 Ų137.757%0.57171%0.708SS**THydrogen-bonded Turntrans-69.412.3-171.526.6-35000116.1W109P106-W109 PolarHBondContact O-NE1 2.86Å; P106-W109 VanDerWaalsContact O-NE1 3.16Å
107N51.1Low49Very low101 Ų101137.7 Ų137.754%0.5470%0.701SS.*THydrogen-bonded Turntrans-118.28.4-166.6-7520.1000115.5E105 W109 L110E105-N107 PolarHBondContact O-N 3.04Å; N107-W109 VanDerWaalsContact C-N 3.3Å; N107-W109 PolarHBondContact O-N 3.46Å; N107-L110 PolarHBondContact O-N 2.98Å
108S52.7Low49.3Very low96 Ų96140 Ų14067%0.67171%0.712SS**G310 helixtrans-67.1-24.7-179.6-92.30000114.8
109W48.9Very low49.5Very low175 Ų175135.9 Ų135.966%0.66371%0.706SS**G310 helixtrans-79.6-20.3179.864-79.1000113.2P106 N107 N111 W112 L113P106-W109 PolarHBondContact O-NE1 2.86Å; P106-W109 VanDerWaalsContact O-NE1 3.16Å; N107-W109 VanDerWaalsContact C-N 3.3Å; N107-W109 PolarHBondContact O-N 3.46Å; W109-N111 PolarHBondContact O-N 3.27Å; W109-W112 PolarHBondContact O-N 3.28Å; W109-L113 HydrophobicContact CE3-CD1 4.46Å; W109-L113 HydrophobicContact CZ3-CD1 4.44Å
110L49.8Very low49.8Very low88 Ų88133.7 Ų133.746%0.46171%0.708SS.*G310 helixtrans-72.4-10.6174.7-75.1170.7000113.6N107N107-L110 PolarHBondContact O-N 2.98Å
111N50.2Low50.1Low75 Ų75135.1 Ų135.140%0.40171%0.709SS.*G310 helixtrans-80.9-27174.5-96.4-16.1000113.1W109 R114W109-N111 PolarHBondContact O-N 3.27Å; N111-R114 PolarHBondContact O-N 2.78Å; N111-R114 PolarHBondContact OD1-NH2 3.42Å; N111-R114 VanDerWaalsContact OD1-NH2 3.12Å
112W47.5Very low50.2Low222 Ų222137.6 Ų137.684%0.84172%0.717SS**THydrogen-bonded Turntrans-77.7-31-178.9-78.745.4000112.4W109 R114W109-W112 PolarHBondContact O-N 3.28Å; W112-R114 VanDerWaalsContact C-N 3.29Å; W112-R114 PolarHBondContact O-N 2.98Å
113L51Low50Low123 Ų123135.7 Ų135.764%0.64471%0.713SS**THydrogen-bonded Turntrans-75.6-15174.2-81.4157.4000113.6W109W109-L113 HydrophobicContact CE3-CD1 4.46Å; W109-L113 HydrophobicContact CZ3-CD1 4.44Å
114R46.6Very low49.7Very low183 Ų183136.3 Ų136.369%0.69172%0.72SS**THydrogen-bonded Turntrans-87.2-13.7179.9-162.2170.770.2-163.5-3.4113.4N111 W112N111-R114 PolarHBondContact O-N 2.78Å; N111-R114 PolarHBondContact OD1-NH2 3.42Å; N111-R114 VanDerWaalsContact OD1-NH2 3.12Å; W112-R114 VanDerWaalsContact C-N 3.29Å; W112-R114 PolarHBondContact O-N 2.98Å
115E50.2Low49.1Very low163 Ų163135.9 Ų135.976%0.76272%0.719SS**SBendtrans-101-2.1-178.3-69.2-171.686.300114
116A51.4Low48.6Very low90 Ų90135.4 Ų135.474%0.74472%0.722SS**SBendtrans-99-0.417600000114.5
117D47Very low48.2Very low135 Ų135136.4 Ų136.472%0.72273%0.731SS**SBendtrans-11760.3-169.6-154.8-88.9000112
118T45.7Very low48.3Very low139 Ų139137.4 Ų137.485%0.85374%0.743SS**SBendtrans-157.81.3169.736.80000118.3
119A45Very low47.9Very low91 Ų91139 Ų13975%0.75275%0.751SS**SBendtrans-145.190.3-17700000112.3
120D48.9Very low47.6Very low152 Ų152139.3 Ų139.381%0.81376%0.76SS**SBendtrans167-0.8132.8-118-108.2000114.8L122D120-L122 VanDerWaalsContact C-N 3.34Å; D120-L122 PolarHBondContact O-N 2.79Å
121L48.7Very low47.5Very low172 Ų172140.6 Ų140.690%0.90178%0.776SS**  trans-9034.9-172.9-62.7-176.7000116
122L55.3Low47.3Very low176 Ų176142.8 Ų142.892%0.92179%0.792SS**  trans-136.956.8174.8-67.3177.3000112.4D120D120-L122 VanDerWaalsContact C-N 3.34Å; D120-L122 PolarHBondContact O-N 2.79Å
123N44.9Very low47Very low145 Ų145139.2 Ų139.278%0.77579%0.788SS**  trans-146.535.4166.3-156.128.8000115.6
124I45.6Very low46.7Very low171 Ų171143 Ų14388%0.87780%0.802SS**  trans-109.980.3167-48.6177.6000107.9N126I124-N126 PolarHBondContact O-N 3.38Å
125S42.6Very low46.3Very low107 Ų107140.3 Ų140.375%0.74881%0.807SS**  trans-63.4119.5173-167.30000109.4S127S125-S127 PolarHBondContact O-N 2.8Å
126N42.2Very low46.1Very low152 Ų152141.2 Ų141.281%0.81381%0.811SS**  trans-47.7126168.5-100.1-97.6000111.6I124I124-N126 PolarHBondContact O-N 3.38Å
127S47.7Very low46Very low109 Ų109142.8 Ų142.876%0.76281%0.813SS**  trans-148.8130151.1-77.50000109.5S125S125-S127 PolarHBondContact O-N 2.8Å
128P52.3Low46.4Very low121 Ų121143.8 Ų143.879%0.78682%0.817SS**  trans-77.1156.2-169.731.2-34.9000112.8
129P44.1Very low46.7Very low130 Ų130143.2 Ų143.284%0.84482%0.815SS**  trans-86.1125.8-17333.7-30.9000111.3
130E43.5Very low46.9Very low181 Ų181144.1 Ų144.185%0.84682%0.817SS**  trans-116.9139.1162.4-77-168.883.200109.1
131S46.2Very low46.4Very low115 Ų115143.2 Ų143.280%0.80482%0.821SS**  trans74.8137.716669.30000117.6
132V46.2Very low46.7Very low122 Ų122139 Ų13974%0.73981%0.811SS**  cis-173.1127.21125.60000104.1
133I42.9Very low46.8Very low146 Ų146136.4 Ų136.475%0.74980%0.804SS**  trans23.7116.315349.3159000120.8
134E43.2Very low47.5Very low203 Ų203135.6 Ų135.695%0.94981%0.807SS**  -157.6145.2123.5-121.9174.994.100110.1
135T39Very low47.9Very low127 Ų127135.6 Ų135.678%0.77980%0.803SS**  trans-103.6125.6-151.7-59.60000111.7
136E45.3Very low48.2Very low182 Ų182136.8 Ų136.885%0.8581%0.809SS**  trans-156.7133.6142.2-108.4-166.8105.800110.2
137P49.3Very low48.6Very low122 Ų122136.1 Ų136.179%0.79281%0.81SS**  trans-89.1115.5-173.233.3-30.1000111.6
138I55.8Low48.6Very low157 Ų157134.4 Ų134.481%0.80580%0.802SS**PPolyproline II helixtrans-101.7125167.5-32.2174.9000107S140I138-S140 PolarHBondContact O-N 3.24Å
139P52.6Low48.1Very low126 Ų126136.3 Ų136.382%0.81880%0.804SS**PPolyproline II helixtrans-69120.3-17025.8-32.6000111.7
140S48.5Very low48.2Very low111 Ų111139.6 Ų139.678%0.77681%0.808SS**PPolyproline II helixtrans-69.1133.1174.5-173.50000111I138 A142I138-S140 PolarHBondContact O-N 3.24Å; S140-A142 PolarHBondContact O-N 3.19Å
141C39.5Very low48.1Very low133 Ų133135.1 Ų135.190%0.89980%0.803SS**PPolyproline II helixtrans-48.5117.6158-80.80000110.2
142A54.2Low48.2Very low84 Ų84138.5 Ų138.569%0.69481%0.808SS**  trans-146.7130156.800000107.9S140S140-A142 PolarHBondContact O-N 3.19Å
143P56.3Low48.3Very low120 Ų120140.1 Ų140.178%0.77981%0.807SS**PPolyproline II helixtrans-68.9142.8-179.328.7-33.4000110.6E145P143-E145 PolarHBondContact O-N 3.43Å
144P60.4Low48.2Very low129 Ų129139.2 Ų139.284%0.83881%0.811SS**PPolyproline II helixtrans-69.7127.5175.126.9-31.5000111
145E53.9Low48.3Very low171 Ų171136.3 Ų136.380%0.79980%0.797SS**PPolyproline II helixtrans-57.1145.3169.1-76.9179.776.900112P143 T147P143-E145 PolarHBondContact O-N 3.43Å; E145-T147 PolarHBondContact O-N 3.03Å
146P49.2Very low48.9Very low132 Ų132138.5 Ų138.586%0.85780%0.798SS**  trans-75.396.3173.931.2-31.6000109.7
147T50.9Low49Very low137 Ų137136.4 Ų136.484%0.8479%0.792SS**  trans-84.8122.9172.3-51.50000109.8E145E145-T147 PolarHBondContact O-N 3.03Å
148A46.4Very low48.9Very low73 Ų73138.8 Ų138.860%0.60379%0.79SS**  trans-81.5152.2-172.100000113.3
149I43.5Very low48.6Very low162 Ų162139.7 Ų139.783%0.83179%0.789SS**  trans78.2102.8152.7-45.7140000116.8
150E45.7Very low48.2Very low198 Ų198139.9 Ų139.993%0.92578%0.783SS**  -153.5142.8124-121.6-175.3104.900110.7
151A40.1Very low47.9Very low88 Ų88141.4 Ų141.473%0.72778%0.778SS**  trans-76.7139.2-159.800000114.8
152M48.2Very low47.8Very low186 Ų186142.2 Ų142.292%0.91677%0.768SS**  trans-149.8101146.6-66.9-162.9-119.800111.7
153H50.1Low47.1Very low156 Ų156142.6 Ų142.672%0.72277%0.766SS**  trans38.1116.8152.9-78.2-102.3000122.2E155H153-E155 IonicContact CE1-OE2 3.86Å; H153-E155 IonicContact ND1-OE2 3.36Å; H153-E155 PolarHBondContact ND1-OE2 3.36Å
154P40.9Very low46.7Very low127 Ų127142.9 Ų142.983%0.82577%0.769SS**  trans-10582.2163.236.3-22.8000110.3
155E45.3Very low45.8Very low142 Ų142145.7 Ų145.766%0.66477%0.771SS**  trans-139.9126.3175.9-62.9-170.1105.300110.6H153H153-E155 IonicContact CE1-OE2 3.86Å; H153-E155 IonicContact ND1-OE2 3.36Å; H153-E155 PolarHBondContact ND1-OE2 3.36Å
156E50.5Low45.5Very low172 Ų172141.7 Ų141.780%0.80477%0.768SS**  trans77.3122.7156.9-31.3-148.690.500114.9
157L48.7Very low45.1Very low138 Ų138144.7 Ų144.772%0.72377%0.77SS**  cis-161.8127.639.1-71.7160.1000107
158F46.4Very low44.8Very low172 Ų172141.7 Ų141.775%0.75477%0.766SS**  40.7122.389.9-79.4-91.9000113
159F49.6Very low44.6Very low177 Ų177146.7 Ų146.778%0.77678%0.777SS**  -166.3132.865.7-90-92.9000108.9
160D44.5Very low44.8Very low129 Ų129145.3 Ų145.369%0.6978%0.777SS**  78100.385.5-135.8-101.2000112
161H41.4Very low45Very low144 Ų144143.4 Ų143.467%0.66777%0.768SS**  77.9135.693.5-153.4-112.1000113.5
162E38.2Very low45.1Very low150 Ų150147 Ų14770%0.70177%0.77SS**  trans84.9134150.1-114.817686.900121.5
163S40Very low45Very low92 Ų92146.7 Ų146.764%0.64376%0.763SS**  trans72.4106.3139.4-79.20000119.3
164C46.1Very low44.2Very low126 Ų126149.7 Ų149.785%0.85179%0.785SS**  -179.711994.7-97.80000112
165Q42.7Very low44.4Very low187 Ų187150.9 Ų150.987%0.87478%0.783SS**  trans-58.5143.5152.8-67.3-177.3-2700110.6
166A48.2Very low44.4Very low88 Ų88151.3 Ų151.373%0.72779%0.789SS**  trans-176.6104.4141.900000107.3
167Q39.1Very low44Very low194 Ų194150.2 Ų150.291%0.90779%0.788SS**  53.2122.988.5-76.3-169.3-89.300114.6
168G46.2Very low43.8Very low74 Ų74150.9 Ų150.976%0.76379%0.792SS**  trans15856167.500000112.5
169Q42Very low43.6Very low178 Ų178149.6 Ų149.683%0.83279%0.794SS**  -4.7122114.8-99.9-169-30.700115.4
170T47.9Very low43.2Very low134 Ų134147.7 Ų147.782%0.82280%0.795SS**  trans168.9105.7130.528.60000106.8
171E48.4Very low43.1Very low158 Ų158149.1 Ų149.174%0.73880%0.803SS**  73.8117.769.9-161.9159.4103.400113.9
172Q43.5Very low43.2Very low163 Ų163149.5 Ų149.576%0.76281%0.813SS**  trans66.4144.1159.9-78.2-17814.200117.5
173K44.7Very low43.6Very low179 Ų179149.4 Ų149.478%0.77882%0.823SS**  -172.4136.351.9-167.8154169.9-179.70112.1
174N35.1Very low44Very low220 Ų220154.6 Ų154.6100%1.17684%0.839SS**  trans-76.40145.5-169.120000107.9

Retrieved 174 of 174 residues in 87.6 ms (Link to these results)