G4VGX2_SCHMA Loading...

Putative arginine/serine-rich splicing factor

AlphaFold DB , UniProt , Accession G4VGX2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 279 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M34.8Very low54.2Low235 Ų235135 Ų135100%1.15871%0.705SS**  093.60-71.2177.2150.900107.3
2S39.4Very low57.2Low128 Ų128123.8 Ų123.890%0.89565%0.646SS**  trans-113.575-174.6-59.70000110.1G4S2-G4 VanDerWaalsContact C-N 3.27Å; S2-G4 PolarHBondContact O-N 3.27Å
3S40Very low59.6Low124 Ų124120.1 Ų120.187%0.86762%0.619SS**  trans-78.877.5161.249.90000108.4
4G37.9Very low61.7Low62 Ų62111.5 Ų111.564%0.63958%0.575SS**  trans-101.8108.217700000110.4S2S2-G4 VanDerWaalsContact C-N 3.27Å; S2-G4 PolarHBondContact O-N 3.27Å
5F42.5Very low63.3Low197 Ų197104.3 Ų104.386%0.86454%0.539SS*.  trans50.382.2165.5-76-96000116.6E7F5-E7 VanDerWaalsContact C-N 3.32Å; F5-E7 PolarHBondContact O-N 3.42Å
6Q49Very low64.5Low139 Ų139100.8 Ų100.865%0.6554%0.536SS*.  trans-68.197.3151.8-69.3-170.18.900107.5K8Q6-K8 PolarHBondContact O-N 3.24Å
7E53.3Low65.4Low166 Ų16695.8 Ų95.878%0.77651%0.509SS*.  trans-6078.9164-69.7-177.8164.500108.9F5 C9F5-E7 VanDerWaalsContact C-N 3.32Å; F5-E7 PolarHBondContact O-N 3.42Å; E7-C9 VanDerWaalsContact C-N 3.29Å; E7-C9 WeakPolarHBondContact O-CA 3.28Å; E7-C9 PolarHBondContact O-N 3.37Å
8K61.6Low66Low157 Ų15794.5 Ų94.568%0.68351%0.506SS*.  trans11.468174.5-75-179.5-180-178.50114.1Q6 R10Q6-K8 PolarHBondContact O-N 3.24Å; K8-R10 PolarHBondContact O-N 2.93Å
9C65.6Low66.2Low40 Ų4098.4 Ų98.427%0.2752%0.521SS..  trans-64.6110.1-175.1-66.70000109E7 K11 F80E7-C9 VanDerWaalsContact C-N 3.29Å; E7-C9 WeakPolarHBondContact O-CA 3.28Å; E7-C9 PolarHBondContact O-N 3.37Å; C9-K11 VanDerWaalsContact C-N 3.3Å; C9-F80 HydrophobicContact CB-CB 4.27Å; C9-F80 HydrophobicContact CB-CD1 4.01Å
10R83.7Confident66.3Low142 Ų14298.6 Ų98.654%0.53652%0.522SS..  trans-78.3-19.4175-67.7-178.5-162.4168.91.3112.8K8 E52 Y53K8-R10 PolarHBondContact O-N 2.93Å; R10-E52 HydrophobicContact CB-CG 4.39Å; R10-E52 WeakPolarHBondContact O-CA 3.29Å; R10-Y53 WeakPolarHBondContact CB-O 2.96Å; R10-Y53 PolarHBondContact O-N 3.35Å
11K88.2Confident66.7Low95 Ų9594.5 Ų94.541%0.41350%0.5SS..EExtended strand (participates in β ladder)trans-93.2130.3-179-168.4172.9-177.5168.50110.4C9 F50 A51 A81C9-K11 VanDerWaalsContact C-N 3.3Å; K11-F50 HydrophobicContact CD-CD1 4.39Å; K11-F50 VanDerWaalsContact CE-CD1 3.46Å; K11-F50 HydrophobicContact CG-CD1 4.36Å; K11-A51 CarbonylContact C-O 3.47Å; K11-A51 WeakPolarHBondContact CA-O 3.48Å; K11-A81 HydrophobicContact CB-CB 3.93Å; K11-A81 HydrophobicContact CD-CB 4.19Å; K11-A81 HydrophobicContact CG-CB 3.72Å; K11-A81 VanDerWaalsContact O-CB 3.24Å; K11-A81 WeakPolarHBondContact O-CB 3.5Å; K11-A81 PolarHBondContact O-N 2.97Å
12L89.9Confident68.7Low0 Ų088.2 Ų88.20%047%0.471CS..EExtended strand (participates in β ladder)trans-109.4142.8174.9-58.5-169.7000110.2F50 A51 Y53 A59 A62 V63 V78 E79 F80L12-F50 VanDerWaalsContact O-CA 3.26Å; L12-F50 WeakPolarHBondContact O-CA 3.36Å; L12-A51 PolarHBondContact N-O 3.47Å; L12-A51 PolarHBondContact O-N 2.84Å; L12-Y53 HydrophobicContact CD1-CD2 3.95Å; L12-Y53 HydrophobicContact CD1-CE2 3.46Å; L12-Y53 VanDerWaalsContact CD1-CE2 3.46Å; L12-Y53 HydrophobicContact CG-CD2 4.15Å; L12-Y53 HydrophobicContact CG-CE2 4.1Å; L12-A59 HydrophobicContact CD1-CB 4.48Å; L12-A59 HydrophobicContact CD2-CB 3.94Å; L12-A59 HydrophobicContact CG-CB 4.24Å; L12-A62 HydrophobicContact CD1-CB 3.7Å; L12-V63 HydrophobicContact CD1-CG2 4Å; L12-V63 HydrophobicContact CD2-CG2 3.44Å; L12-V63 VanDerWaalsContact CD2-CG2 3.44Å; L12-V63 HydrophobicContact CG-CG2 4.35Å; L12-V78 HydrophobicContact CB-CG1 4.26Å; L12-V78 HydrophobicContact CD1-CG1 3.78Å; L12-E79 CarbonylContact C-O 3.54Å; L12-E79 WeakPolarHBondContact CA-O 3.48Å; L12-F80 HydrophobicContact CD2-CD1 3.65Å; L12-F80 HydrophobicContact CD2-CE1 4.04Å; L12-F80 HydrophobicContact CD2-CG 4.4Å
13Y89Confident70.9Confident76 Ų7686.9 Ų86.930%0.29845%0.449SS..EExtended strand (participates in β ladder)trans-96.7132.8166.8171-101.8000108.9F48 F50 V78 E79Y13-F48 HydrophobicContact CE2-CB 3.74Å; Y13-F48 HydrophobicContact CE2-CD2 4.43Å; Y13-F48 HydrophobicContact CE2-CG 4.35Å; Y13-F50 HydrophobicContact CD2-CD1 4.38Å; Y13-F50 AromaticContact CD2-CE1 3.71Å; Y13-F50 HydrophobicContact CD2-CE1 3.71Å; Y13-F50 HydrophobicContact CD2-CE2 4.4Å; Y13-F50 AromaticContact CD2-CZ 3.75Å; Y13-F50 HydrophobicContact CD2-CZ 3.75Å; Y13-F50 HydrophobicContact CE2-CZ 4.37Å; Y13-F50 HydrophobicContact CG-CE1 4.4Å; Y13-V78 CarbonylContact O-C 3.47Å; Y13-V78 WeakPolarHBondContact O-CA 3.48Å; Y13-E79 HydrophobicContact CD1-CB 4.49Å; Y13-E79 PolarHBondContact N-O 3.5Å; Y13-E79 PolarHBondContact O-N 3.42Å
14I88.3Confident73.1Confident0 Ų085.8 Ų85.80%043%0.433CS..EExtended strand (participates in β ladder)trans-121.7111.6177.9-53.8170.7000106.4L17 L26 L30 F48 A49 A51 I76 R77 V78I14-L17 HydrophobicContact CG2-CD1 4.21Å; I14-L17 HydrophobicContact CG2-CD2 3.9Å; I14-L17 HydrophobicContact CG2-CG 4.19Å; I14-L26 HydrophobicContact CG2-CD2 4.41Å; I14-L30 HydrophobicContact CD1-CD1 3.71Å; I14-L30 HydrophobicContact CD1-CD2 3.93Å; I14-L30 HydrophobicContact CD1-CG 4.31Å; I14-F48 CarbonylContact O-C 3.55Å; I14-F48 WeakPolarHBondContact O-CA 3.4Å; I14-F48 WeakPolarHBondContact O-CB 3.19Å; I14-A49 HydrophobicContact CB-CB 4.23Å; I14-A49 HydrophobicContact CD1-CB 4.48Å; I14-A49 PolarHBondContact N-O 2.86Å; I14-A49 PolarHBondContact O-N 3.04Å; I14-A51 HydrophobicContact CD1-CB 4.09Å; I14-I76 HydrophobicContact CG2-CB 4.27Å; I14-R77 CarbonylContact C-O 3.58Å; I14-R77 WeakPolarHBondContact CA-O 3.19Å; I14-V78 HydrophobicContact CG1-CG2 4.4Å
15G86.7Confident75.4Confident3 Ų384.8 Ų84.83%0.03141%0.413CS..EExtended strand (participates in β ladder)trans-112.2171.6174.800000112R77G15-R77 PolarHBondContact N-O 2.89Å; G15-R77 PolarHBondContact O-N 3.01Å
16G81.7Confident77.4Confident48 Ų4875.4 Ų75.450%0.49537%0.372SS..  trans78.823.8178.300000113.5G47G16-G47 PolarHBondContact N-O 3.01Å
17L80.3Confident79.3Confident16 Ų1671.1 Ų71.18%0.08436%0.355CS..  trans-81.7136.2174.5-54.2172.8000109.4I14 I21 L26 G47 A49 I76I14-L17 HydrophobicContact CG2-CD1 4.21Å; I14-L17 HydrophobicContact CG2-CD2 3.9Å; I14-L17 HydrophobicContact CG2-CG 4.19Å; L17-I21 HydrophobicContact CB-CB 4.48Å; L17-I21 HydrophobicContact CB-CD1 3.95Å; L17-I21 HydrophobicContact CD2-CD1 3.65Å; L17-I21 HydrophobicContact CD2-CG2 4.27Å; L17-I21 HydrophobicContact CG-CD1 4.43Å; L17-L26 HydrophobicContact CD1-CD1 3.77Å; L17-L26 HydrophobicContact CD2-CD1 4.36Å; L17-L26 HydrophobicContact CD2-CD2 3.79Å; L17-G47 PolarHBondContact N-O 3.29Å; L17-G47 VanDerWaalsContact N-O 3.09Å; L17-G47 WeakPolarHBondContact O-CA 3.21Å; L17-A49 HydrophobicContact CD1-CB 3.6Å; L17-I76 HydrophobicContact CD2-CB 4.46Å; L17-I76 HydrophobicContact CD2-CG2 3.59Å
18V76.2Confident81Confident73 Ų7371.5 Ų71.544%0.44235%0.35SS..  trans-79.3153.6168.3174.60000108.5N20 I21 S74V18-N20 VanDerWaalsContact CB-OD1 3.23Å; V18-N20 WeakPolarHBondContact CB-OD1 3.49Å; V18-N20 WeakPolarHBondContact CG1-OD1 3.22Å; V18-N20 PolarHBondContact O-N 3.09Å; V18-I21 PolarHBondContact O-N 2.7Å; V18-S74 WeakPolarHBondContact CB-OG 3.47Å; V18-S74 WeakPolarHBondContact CG2-OG 3.34Å
19E69.4Low82.1Confident169 Ų16966.5 Ų66.579%0.7933%0.328SS*.THydrogen-bonded Turntrans-54.2-16.4-177.5-66.2178.8173.800114.2P46E19-P46 HydrophobicContact CG-CB 3.89Å
20N68.9Low83.1Confident102 Ų10264.7 Ų64.755%0.54532%0.316SS..THydrogen-bonded Turntrans-90.4-5.7-179.665.2-6.9000114.8V18 L22V18-N20 VanDerWaalsContact CB-OD1 3.23Å; V18-N20 WeakPolarHBondContact CB-OD1 3.49Å; V18-N20 WeakPolarHBondContact CG1-OD1 3.22Å; V18-N20 PolarHBondContact O-N 3.09Å; N20-L22 PolarHBondContact O-N 2.75Å
21I73.6Confident83.3Confident13 Ų1361.4 Ų61.47%0.06732%0.315CS..  trans-77.8121.3-175.8-59.7-178.3000110.4L17 V18 L26L17-I21 HydrophobicContact CB-CB 4.48Å; L17-I21 HydrophobicContact CB-CD1 3.95Å; L17-I21 HydrophobicContact CD2-CD1 3.65Å; L17-I21 HydrophobicContact CD2-CG2 4.27Å; L17-I21 HydrophobicContact CG-CD1 4.43Å; V18-I21 PolarHBondContact O-N 2.7Å; I21-L26 HydrophobicContact CG2-CD1 4.32Å; I21-L26 HydrophobicContact CG2-CD2 4.21Å; I21-L26 HydrophobicContact CG2-CG 3.93Å
22L77.6Confident83.2Confident103 Ų10363.5 Ų63.554%0.53932%0.324SS..  trans-80.6150.4178.3-64.1174.5000110.9N20 D24 D25 L26N20-L22 PolarHBondContact O-N 2.75Å; L22-D24 PolarHBondContact O-N 2.89Å; L22-D25 PolarHBondContact O-N 3.29Å; L22-L26 PolarHBondContact O-N 3.27Å
23K85.1Confident83Confident99 Ų9964 Ų6443%0.4333%0.328SS..Hα-helixtrans-53.5-38.3170.3175173.9167162.40110.7D25 L26 V27 V39 V41K23-D25 VanDerWaalsContact C-N 3.34Å; K23-D25 PolarHBondContact O-N 3.42Å; K23-L26 PolarHBondContact O-N 3.01Å; K23-V27 HydrophobicContact CG-CG2 4Å; K23-V27 WeakPolarHBondContact O-CB 3.23Å; K23-V27 WeakPolarHBondContact O-CG2 3.3Å; K23-V27 PolarHBondContact O-N 3.36Å; K23-V39 WeakPolarHBondContact CE-O 2.95Å; K23-V39 HydrophobicContact CG-CG1 4.23Å; K23-V39 PolarHBondContact NZ-O 2.76Å; K23-V41 HydrophobicContact CB-CG2 3.72Å; K23-V41 HydrophobicContact CG-CG2 4.17Å
24D86.1Confident82.9Confident102 Ų10261.2 Ų61.255%0.54532%0.322SS..Hα-helixtrans-61.8-39.4-177.5-59.2-67.4000112.9L22 V27 R28L22-D24 PolarHBondContact O-N 2.89Å; D24-V27 PolarHBondContact O-N 3.24Å; D24-R28 VanDerWaalsContact O-CG 3.28Å; D24-R28 WeakPolarHBondContact O-CG 3.39Å; D24-R28 PolarHBondContact O-N 2.87Å
25D85.8Confident82.9Confident40 Ų4067.7 Ų67.721%0.21435%0.352CS..Hα-helixtrans-67.6-42.7178.4-63.9-31.5000110.9L22 K23 V27 R28 E29 V71 C72L22-D25 PolarHBondContact O-N 3.29Å; K23-D25 VanDerWaalsContact C-N 3.34Å; K23-D25 PolarHBondContact O-N 3.42Å; D25-V27 VanDerWaalsContact C-N 3.35Å; D25-R28 PolarHBondContact O-N 2.83Å; D25-E29 PolarHBondContact O-N 2.93Å; D25-E29 VanDerWaalsContact O-N 3.08Å; D25-V71 HydrophobicContact CB-CG1 4.41Å; D25-C72 PolarHBondContact OD2-SG 3.46Å
26L86.3Confident83Confident1 Ų169.2 Ų69.21%0.00536%0.36CS..Hα-helixtrans-62.8-44.1174.8-67.4175.1000111.3I14 L17 I21 L22 K23 R28 E29 L30 V41 A49I14-L26 HydrophobicContact CG2-CD2 4.41Å; L17-L26 HydrophobicContact CD1-CD1 3.77Å; L17-L26 HydrophobicContact CD2-CD1 4.36Å; L17-L26 HydrophobicContact CD2-CD2 3.79Å; I21-L26 HydrophobicContact CG2-CD1 4.32Å; I21-L26 HydrophobicContact CG2-CD2 4.21Å; I21-L26 HydrophobicContact CG2-CG 3.93Å; L22-L26 PolarHBondContact O-N 3.27Å; K23-L26 PolarHBondContact O-N 3.01Å; L26-R28 VanDerWaalsContact C-N 3.3Å; L26-R28 PolarHBondContact O-N 2.85Å; L26-E29 PolarHBondContact O-N 3.31Å; L26-L30 HydrophobicContact CB-CD1 4.19Å; L26-L30 WeakPolarHBondContact O-CB 3.37Å; L26-L30 VanDerWaalsContact O-CD1 3.3Å; L26-L30 WeakPolarHBondContact O-CD1 3.39Å; L26-L30 WeakPolarHBondContact O-CG 3.18Å; L26-L30 PolarHBondContact O-N 3.3Å; L26-V41 HydrophobicContact CD1-CG2 3.9Å; L26-A49 HydrophobicContact CD1-CB 3.7Å
27V88.5Confident83.4Confident49 Ų4971.1 Ų71.130%0.29736%0.361SS..Hα-helixtrans-59.5-43.5176.9170.20000110.3K23 D24 D25 E29 S31 L36 V39K23-V27 HydrophobicContact CG-CG2 4Å; K23-V27 WeakPolarHBondContact O-CB 3.23Å; K23-V27 WeakPolarHBondContact O-CG2 3.3Å; K23-V27 PolarHBondContact O-N 3.36Å; D24-V27 PolarHBondContact O-N 3.24Å; D25-V27 VanDerWaalsContact C-N 3.35Å; V27-E29 PolarHBondContact O-N 2.97Å; V27-S31 WeakPolarHBondContact O-CA 3Å; V27-S31 WeakPolarHBondContact O-CB 3.5Å; V27-S31 PolarHBondContact O-N 3.08Å; V27-L36 HydrophobicContact CG1-CD1 4.45Å; V27-V39 HydrophobicContact CG2-CB 4.07Å; V27-V39 HydrophobicContact CG2-CG1 4.21Å; V27-V39 HydrophobicContact CG2-CG2 3.96Å
28R87.6Confident83.8Confident174 Ų17474.7 Ų74.766%0.65738%0.38SS*.Hα-helixtrans-60.8-43.2177.6-75.1171.1178.4-163.5-0.1112.8D24 D25 L26 K32D24-R28 VanDerWaalsContact O-CG 3.28Å; D24-R28 WeakPolarHBondContact O-CG 3.39Å; D24-R28 PolarHBondContact O-N 2.87Å; D25-R28 PolarHBondContact O-N 2.83Å; L26-R28 VanDerWaalsContact C-N 3.3Å; L26-R28 PolarHBondContact O-N 2.85Å; R28-K32 WeakPolarHBondContact O-CG 3.15Å
29E85.8Confident84.4Confident51 Ų5171.5 Ų71.524%0.23836%0.361CS..Hα-helixtrans-74.9-42.7-179.7-66.7-53.1132.800112.6D25 L26 V27 K32 L66 V71D25-E29 PolarHBondContact O-N 2.93Å; D25-E29 VanDerWaalsContact O-N 3.08Å; L26-E29 PolarHBondContact O-N 3.31Å; V27-E29 PolarHBondContact O-N 2.97Å; E29-K32 WeakPolarHBondContact O-CB 3.41Å; E29-K32 PolarHBondContact O-N 3.08Å; E29-K32 IonicContact OE1-NZ 2.7Å; E29-K32 PolarHBondContact OE1-NZ 3.47Å; E29-K32 IonicContact OE2-NZ 2.75Å; E29-K32 PolarHBondContact OE2-NZ 3.13Å; E29-L66 HydrophobicContact CB-CD2 4.34Å; E29-V71 HydrophobicContact CG-CG1 4.19Å; E29-V71 HydrophobicContact CG-CG2 4.03Å
30L86.6Confident85.3Confident2 Ų269.9 Ų69.91%0.0135%0.348CS..Hα-helixtrans-67-37.6178.3-68.6165.6000111.8I14 L26 K32 C33 G34 L36 V39 A51 Y53 L66I14-L30 HydrophobicContact CD1-CD1 3.71Å; I14-L30 HydrophobicContact CD1-CD2 3.93Å; I14-L30 HydrophobicContact CD1-CG 4.31Å; L26-L30 HydrophobicContact CB-CD1 4.19Å; L26-L30 WeakPolarHBondContact O-CB 3.37Å; L26-L30 VanDerWaalsContact O-CD1 3.3Å; L26-L30 WeakPolarHBondContact O-CD1 3.39Å; L26-L30 WeakPolarHBondContact O-CG 3.18Å; L26-L30 PolarHBondContact O-N 3.3Å; L30-K32 PolarHBondContact O-N 3Å; L30-K32 VanDerWaalsContact O-N 3.16Å; L30-C33 PolarHBondContact O-N 3.4Å; L30-G34 PolarHBondContact O-N 3.16Å; L30-L36 HydrophobicContact CB-CD1 3.7Å; L30-L36 HydrophobicContact CB-CD2 3.83Å; L30-L36 HydrophobicContact CB-CG 4.28Å; L30-L36 HydrophobicContact CD1-CD2 4.32Å; L30-V39 HydrophobicContact CD1-CG1 4.48Å; L30-V39 HydrophobicContact CD1-CG2 4.3Å; L30-A51 HydrophobicContact CD1-CB 3.62Å; L30-A51 HydrophobicContact CD2-CB 4.23Å; L30-Y53 WeakPolarHBondContact CA-OH 3.11Å; L30-Y53 WeakPolarHBondContact CB-OH 3.43Å; L30-Y53 HydrophobicContact CD2-CE2 4.3Å; L30-Y53 WeakPolarHBondContact CD2-OH 2.83Å; L30-Y53 PolarHBondContact O-OH 3.34Å; L30-Y53 VanDerWaalsContact O-OH 3.08Å; L30-L66 HydrophobicContact CD2-CD1 3.58Å; L30-L66 HydrophobicContact CG-CD1 4.3Å
31S87.8Confident86.2Confident73 Ų7366.7 Ų66.751%0.5133%0.332SS..THydrogen-bonded Turntrans-64.5-19.3179.1-175.10000113.2V27 C33V27-S31 WeakPolarHBondContact O-CA 3Å; V27-S31 WeakPolarHBondContact O-CB 3.5Å; V27-S31 PolarHBondContact O-N 3.08Å; S31-C33 VanDerWaalsContact C-N 3.28Å
32K87.2Confident86.7Confident139 Ų13966.3 Ų66.360%0.60433%0.33SS*.THydrogen-bonded Turntrans-70.4-26.6173.4-65.1172-168.5168.70112.4R28 E29 L30R28-K32 WeakPolarHBondContact O-CG 3.15Å; E29-K32 WeakPolarHBondContact O-CB 3.41Å; E29-K32 PolarHBondContact O-N 3.08Å; E29-K32 IonicContact OE1-NZ 2.7Å; E29-K32 PolarHBondContact OE1-NZ 3.47Å; E29-K32 IonicContact OE2-NZ 2.75Å; E29-K32 PolarHBondContact OE2-NZ 3.13Å; L30-K32 PolarHBondContact O-N 3Å; L30-K32 VanDerWaalsContact O-N 3.16Å
33C84.3Confident86.5Confident12 Ų1272.4 Ų72.48%0.08135%0.346CS..THydrogen-bonded Turntrans-87.2-34.7-176.7-64.90000112.1L30 S31 A62L30-C33 PolarHBondContact O-N 3.4Å; S31-C33 VanDerWaalsContact C-N 3.28Å; C33-A62 HydrophobicContact CB-CB 3.79Å
34G86.2Confident86Confident17 Ų1774.6 Ų74.618%0.17536%0.363CS..SBendtrans175.2-170.9176.700000113.7L30L30-G34 PolarHBondContact O-N 3.16Å
35E88.7Confident85.4Confident135 Ų13573.6 Ų73.663%0.63136%0.362SS*.  trans-80.4128-177.5-168.5-178.6177.100111.7Y53 V54E35-Y53 WeakPolarHBondContact O-CA 3.38Å; E35-Y53 WeakPolarHBondContact O-CD1 3.47Å; E35-V54 HydrophobicContact CB-CB 4.47Å; E35-V54 HydrophobicContact CB-CG2 3.99Å; E35-V54 HydrophobicContact CG-CG2 3.8Å; E35-V54 PolarHBondContact O-N 2.83Å
36L90.2Very high84.8Confident36 Ų3675.2 Ų75.219%0.18838%0.375CS..EExtended strand (participates in β ladder)trans-96.4131.5-178.4-64.5154.8000109.9V27 L30 V39 A51 E52 Y53V27-L36 HydrophobicContact CG1-CD1 4.45Å; L30-L36 HydrophobicContact CB-CD1 3.7Å; L30-L36 HydrophobicContact CB-CD2 3.83Å; L30-L36 HydrophobicContact CB-CG 4.28Å; L30-L36 HydrophobicContact CD1-CD2 4.32Å; L36-V39 HydrophobicContact CB-CG2 4.32Å; L36-V39 HydrophobicContact CD1-CG2 4.04Å; L36-V39 HydrophobicContact CD2-CG2 4.02Å; L36-V39 HydrophobicContact CG-CG2 4.35Å; L36-A51 HydrophobicContact CD2-CB 4.13Å; L36-E52 CarbonylContact C-O 3.47Å; L36-E52 WeakPolarHBondContact CA-O 3.49Å; L36-Y53 HydrophobicContact CD2-CD1 4.13Å; L36-Y53 HydrophobicContact CD2-CD2 4.35Å; L36-Y53 HydrophobicContact CD2-CE1 3.75Å; L36-Y53 HydrophobicContact CD2-CE2 3.97Å; L36-Y53 HydrophobicContact CD2-CG 4.43Å; L36-Y53 HydrophobicContact CG-CE1 4.24Å
37V89.9Confident84.4Confident87 Ų8776 Ų7653%0.52738%0.383SS..EExtended strand (participates in β ladder)trans-78.8-52.5170.8177.90000109.7E52 V54V37-E52 HydrophobicContact CB-CB 4.24Å; V37-E52 HydrophobicContact CB-CG 4.09Å; V37-E52 HydrophobicContact CG2-CG 4.38Å; V37-E52 PolarHBondContact N-O 2.81Å; V37-V54 HydrophobicContact CG2-CB 4.29Å; V37-V54 HydrophobicContact CG2-CG2 3.6Å
38D88.4Confident84.3Confident91 Ų9175.1 Ų75.149%0.48738%0.375SS..EExtended strand (participates in β ladder)trans-150.8150.8179-168.820.5000111E52D38-E52 PolarHBondContact O-N 3.09Å
39V89.4Confident84.3Confident6 Ų666.9 Ų66.94%0.03634%0.344CS..EExtended strand (participates in β ladder)trans-131.1117.3174.1-179.80000108.3K23 V27 L30 L36 F50 A51K23-V39 WeakPolarHBondContact CE-O 2.95Å; K23-V39 HydrophobicContact CG-CG1 4.23Å; K23-V39 PolarHBondContact NZ-O 2.76Å; V27-V39 HydrophobicContact CG2-CB 4.07Å; V27-V39 HydrophobicContact CG2-CG1 4.21Å; V27-V39 HydrophobicContact CG2-CG2 3.96Å; L30-V39 HydrophobicContact CD1-CG1 4.48Å; L30-V39 HydrophobicContact CD1-CG2 4.3Å; L36-V39 HydrophobicContact CB-CG2 4.32Å; L36-V39 HydrophobicContact CD1-CG2 4.04Å; L36-V39 HydrophobicContact CD2-CG2 4.02Å; L36-V39 HydrophobicContact CG-CG2 4.35Å; V39-F50 WeakPolarHBondContact CA-O 3.04Å; V39-A51 HydrophobicContact CG2-CB 4.38Å
40W87.9Confident84.5Confident135 Ų13566.4 Ų66.451%0.51134%0.342SS..EExtended strand (participates in β ladder)trans-114.5112.5179.9178.356.6000110.1A42 F48 A49 F50W40-A42 HydrophobicContact CH2-CB 3.85Å; W40-A42 HydrophobicContact CZ2-CB 3.9Å; W40-A42 HydrophobicContact CZ3-CB 4.28Å; W40-F48 HydrophobicContact CH2-CE2 4.2Å; W40-F48 HydrophobicContact CZ3-CE2 4.25Å; W40-A49 CarbonylContact O-C 3.55Å; W40-A49 VanDerWaalsContact O-CA 3.25Å; W40-A49 WeakPolarHBondContact O-CA 3.44Å; W40-A49 WeakPolarHBondContact O-CB 3.34Å; W40-F50 HydrophobicContact CE3-CB 4.2Å; W40-F50 AromaticContact CE3-CD2 3.3Å; W40-F50 HydrophobicContact CE3-CD2 3.3Å; W40-F50 AromaticContact CE3-CE2 3.99Å; W40-F50 HydrophobicContact CE3-CE2 3.99Å; W40-F50 HydrophobicContact CE3-CG 4.1Å; W40-F50 AromaticContact CZ3-CD2 3.36Å; W40-F50 HydrophobicContact CZ3-CD2 3.36Å; W40-F50 AromaticContact CZ3-CE2 3.53Å; W40-F50 HydrophobicContact CZ3-CE2 3.53Å; W40-F50 HydrophobicContact CZ3-CG 4.44Å; W40-F50 PolarHBondContact N-O 2.85Å; W40-F50 PolarHBondContact O-N 3.07Å
41V87Confident84.7Confident36 Ų3666.4 Ų66.422%0.21834%0.342CS..EExtended strand (participates in β ladder)trans-91.5121.1171.8-1770000108.2K23 L26 A49K23-V41 HydrophobicContact CB-CG2 3.72Å; K23-V41 HydrophobicContact CG-CG2 4.17Å; L26-V41 HydrophobicContact CD1-CG2 3.9Å; V41-A49 HydrophobicContact CB-CB 4.4Å; V41-A49 HydrophobicContact CG1-CB 4.5Å; V41-A49 HydrophobicContact CG2-CB 4.09Å
42A83.5Confident84.8Confident4 Ų466.6 Ų66.63%0.03333%0.334CS..EExtended strand (participates in β ladder)trans-85.5134.2177.500000110.4W40 F48W40-A42 HydrophobicContact CH2-CB 3.85Å; W40-A42 HydrophobicContact CZ2-CB 3.9Å; W40-A42 HydrophobicContact CZ3-CB 4.28Å; A42-F48 HydrophobicContact CB-CD1 4.03Å; A42-F48 HydrophobicContact CB-CD2 3.29Å; A42-F48 HydrophobicContact CB-CE1 3.66Å; A42-F48 HydrophobicContact CB-CE2 2.88Å; A42-F48 HydrophobicContact CB-CG 3.87Å; A42-F48 HydrophobicContact CB-CZ 3.08Å; A42-F48 WeakPolarHBondContact CB-O 3.48Å; A42-F48 PolarHBondContact N-O 2.81Å
43R73.9Confident84.9Confident231 Ų23160 Ų6087%0.87231%0.306SS*.THydrogen-bonded Turntrans-99.9-8.7-180-63.7-178.9175.7177.5-2.7112.6P45R43-P45 CarbonylContact C-O 3.52Å
44N74Confident85.1Confident146 Ų14662.1 Ų62.178%0.78132%0.318SS*.THydrogen-bonded Turntrans-153.3110.1179.9-167.815000112.1
45P74.6Confident85.2Confident81 Ų8169.1 Ų69.153%0.52634%0.339SS..THydrogen-bonded Turncis-54.3154.5-8.84-10.6000114.9R43 F48R43-P45 CarbonylContact C-O 3.52Å; P45-F48 HydrophobicContact CB-CD1 4.34Å; P45-F48 HydrophobicContact CB-CE1 3.78Å; P45-F48 HydrophobicContact CG-CD1 4.19Å; P45-F48 HydrophobicContact CG-CE1 3.39Å; P45-F48 HydrophobicContact CG-CZ 4.12Å; P45-F48 VanDerWaalsContact O-CD1 3.25Å; P45-F48 WeakPolarHBondContact O-CD1 3.26Å; P45-F48 WeakPolarHBondContact O-CE1 3.18Å
46P73Confident85.1Confident74 Ų7463.9 Ų63.948%0.48132%0.318SS..THydrogen-bonded Turntrans-69147.5169.227.4-31.7000110.4E19E19-P46 HydrophobicContact CG-CB 3.89Å
47G78.1Confident85Confident18 Ų1866 Ų6619%0.18634%0.335CS..THydrogen-bonded Turntrans100.915.2166.900000117G16 L17G16-G47 PolarHBondContact N-O 3.01Å; L17-G47 PolarHBondContact N-O 3.29Å; L17-G47 VanDerWaalsContact N-O 3.09Å; L17-G47 WeakPolarHBondContact O-CA 3.21Å
48F85.8Confident85Confident30 Ų3063.4 Ų63.413%0.13232%0.318CS..EExtended strand (participates in β ladder)trans-134153.1170.966.9-81.2000113.6Y13 I14 W40 A42 P45 F50Y13-F48 HydrophobicContact CE2-CB 3.74Å; Y13-F48 HydrophobicContact CE2-CD2 4.43Å; Y13-F48 HydrophobicContact CE2-CG 4.35Å; I14-F48 CarbonylContact O-C 3.55Å; I14-F48 WeakPolarHBondContact O-CA 3.4Å; I14-F48 WeakPolarHBondContact O-CB 3.19Å; W40-F48 HydrophobicContact CH2-CE2 4.2Å; W40-F48 HydrophobicContact CZ3-CE2 4.25Å; A42-F48 HydrophobicContact CB-CD1 4.03Å; A42-F48 HydrophobicContact CB-CD2 3.29Å; A42-F48 HydrophobicContact CB-CE1 3.66Å; A42-F48 HydrophobicContact CB-CE2 2.88Å; A42-F48 HydrophobicContact CB-CG 3.87Å; A42-F48 HydrophobicContact CB-CZ 3.08Å; A42-F48 WeakPolarHBondContact CB-O 3.48Å; A42-F48 PolarHBondContact N-O 2.81Å; P45-F48 HydrophobicContact CB-CD1 4.34Å; P45-F48 HydrophobicContact CB-CE1 3.78Å; P45-F48 HydrophobicContact CG-CD1 4.19Å; P45-F48 HydrophobicContact CG-CE1 3.39Å; P45-F48 HydrophobicContact CG-CZ 4.12Å; P45-F48 VanDerWaalsContact O-CD1 3.25Å; P45-F48 WeakPolarHBondContact O-CD1 3.26Å; P45-F48 WeakPolarHBondContact O-CE1 3.18Å; F48-F50 HydrophobicContact CD2-CD2 4.14Å; F48-F50 AromaticContact CD2-CE2 3.58Å; F48-F50 HydrophobicContact CD2-CE2 3.58Å; F48-F50 HydrophobicContact CD2-CZ 4.44Å; F48-F50 HydrophobicContact CE2-CD2 4.45Å; F48-F50 AromaticContact CE2-CE2 3.74Å; F48-F50 HydrophobicContact CE2-CE2 3.74Å
49A88.7Confident85Confident0 Ų059 Ų590%030%0.295CS..EExtended strand (participates in β ladder)trans-140.4161.6173.400000110I14 L17 L26 W40 V41I14-A49 HydrophobicContact CB-CB 4.23Å; I14-A49 HydrophobicContact CD1-CB 4.48Å; I14-A49 PolarHBondContact N-O 2.86Å; I14-A49 PolarHBondContact O-N 3.04Å; L17-A49 HydrophobicContact CD1-CB 3.6Å; L26-A49 HydrophobicContact CD1-CB 3.7Å; W40-A49 CarbonylContact O-C 3.55Å; W40-A49 VanDerWaalsContact O-CA 3.25Å; W40-A49 WeakPolarHBondContact O-CA 3.44Å; W40-A49 WeakPolarHBondContact O-CB 3.34Å; V41-A49 HydrophobicContact CB-CB 4.4Å; V41-A49 HydrophobicContact CG1-CB 4.5Å; V41-A49 HydrophobicContact CG2-CB 4.09Å
50F89.5Confident84.9Confident42 Ų4262.6 Ų62.618%0.18431%0.311CS..EExtended strand (participates in β ladder)trans-124.3139.7171.7-68.5-88.7000109.2K11 L12 Y13 V39 W40 F48 A81K11-F50 HydrophobicContact CD-CD1 4.39Å; K11-F50 VanDerWaalsContact CE-CD1 3.46Å; K11-F50 HydrophobicContact CG-CD1 4.36Å; L12-F50 VanDerWaalsContact O-CA 3.26Å; L12-F50 WeakPolarHBondContact O-CA 3.36Å; Y13-F50 HydrophobicContact CD2-CD1 4.38Å; Y13-F50 AromaticContact CD2-CE1 3.71Å; Y13-F50 HydrophobicContact CD2-CE1 3.71Å; Y13-F50 HydrophobicContact CD2-CE2 4.4Å; Y13-F50 AromaticContact CD2-CZ 3.75Å; Y13-F50 HydrophobicContact CD2-CZ 3.75Å; Y13-F50 HydrophobicContact CE2-CZ 4.37Å; Y13-F50 HydrophobicContact CG-CE1 4.4Å; V39-F50 WeakPolarHBondContact CA-O 3.04Å; W40-F50 HydrophobicContact CE3-CB 4.2Å; W40-F50 AromaticContact CE3-CD2 3.3Å; W40-F50 HydrophobicContact CE3-CD2 3.3Å; W40-F50 AromaticContact CE3-CE2 3.99Å; W40-F50 HydrophobicContact CE3-CE2 3.99Å; W40-F50 HydrophobicContact CE3-CG 4.1Å; W40-F50 AromaticContact CZ3-CD2 3.36Å; W40-F50 HydrophobicContact CZ3-CD2 3.36Å; W40-F50 AromaticContact CZ3-CE2 3.53Å; W40-F50 HydrophobicContact CZ3-CE2 3.53Å; W40-F50 HydrophobicContact CZ3-CG 4.44Å; W40-F50 PolarHBondContact N-O 2.85Å; W40-F50 PolarHBondContact O-N 3.07Å; F48-F50 HydrophobicContact CD2-CD2 4.14Å; F48-F50 AromaticContact CD2-CE2 3.58Å; F48-F50 HydrophobicContact CD2-CE2 3.58Å; F48-F50 HydrophobicContact CD2-CZ 4.44Å; F48-F50 HydrophobicContact CE2-CD2 4.45Å; F48-F50 AromaticContact CE2-CE2 3.74Å; F48-F50 HydrophobicContact CE2-CE2 3.74Å; F50-A81 HydrophobicContact CD1-CB 4.28Å; F50-A81 HydrophobicContact CE1-CB 4.27Å
51A90Very high85Confident1 Ų161.3 Ų61.31%0.00831%0.309CS..EExtended strand (participates in β ladder)trans-126.2137.5174.900000108.9K11 L12 I14 L30 L36 V39K11-A51 CarbonylContact C-O 3.47Å; K11-A51 WeakPolarHBondContact CA-O 3.48Å; L12-A51 PolarHBondContact N-O 3.47Å; L12-A51 PolarHBondContact O-N 2.84Å; I14-A51 HydrophobicContact CD1-CB 4.09Å; L30-A51 HydrophobicContact CD1-CB 3.62Å; L30-A51 HydrophobicContact CD2-CB 4.23Å; L36-A51 HydrophobicContact CD2-CB 4.13Å; V39-A51 HydrophobicContact CG2-CB 4.38Å
52E90Very high85.1Confident77 Ų7759.6 Ų59.636%0.3630%0.299SS..EExtended strand (participates in β ladder)trans-114.3126.9174.2-174.2170179.500109.3R10 L36 V37 D38R10-E52 HydrophobicContact CB-CG 4.39Å; R10-E52 WeakPolarHBondContact O-CA 3.29Å; L36-E52 CarbonylContact C-O 3.47Å; L36-E52 WeakPolarHBondContact CA-O 3.49Å; V37-E52 HydrophobicContact CB-CB 4.24Å; V37-E52 HydrophobicContact CB-CG 4.09Å; V37-E52 HydrophobicContact CG2-CG 4.38Å; V37-E52 PolarHBondContact N-O 2.81Å; D38-E52 PolarHBondContact O-N 3.09Å
53Y90.4Very high85.3Confident0 Ų060.4 Ų60.40%030%0.303CS..EExtended strand (participates in β ladder)trans-98.1149.7176.7-76.7-89.2000111.4R10 L12 L30 E35 L36 R55 D58 A59 A62R10-Y53 WeakPolarHBondContact CB-O 2.96Å; R10-Y53 PolarHBondContact O-N 3.35Å; L12-Y53 HydrophobicContact CD1-CD2 3.95Å; L12-Y53 HydrophobicContact CD1-CE2 3.46Å; L12-Y53 VanDerWaalsContact CD1-CE2 3.46Å; L12-Y53 HydrophobicContact CG-CD2 4.15Å; L12-Y53 HydrophobicContact CG-CE2 4.1Å; L30-Y53 WeakPolarHBondContact CA-OH 3.11Å; L30-Y53 WeakPolarHBondContact CB-OH 3.43Å; L30-Y53 HydrophobicContact CD2-CE2 4.3Å; L30-Y53 WeakPolarHBondContact CD2-OH 2.83Å; L30-Y53 PolarHBondContact O-OH 3.34Å; L30-Y53 VanDerWaalsContact O-OH 3.08Å; E35-Y53 WeakPolarHBondContact O-CA 3.38Å; E35-Y53 WeakPolarHBondContact O-CD1 3.47Å; L36-Y53 HydrophobicContact CD2-CD1 4.13Å; L36-Y53 HydrophobicContact CD2-CD2 4.35Å; L36-Y53 HydrophobicContact CD2-CE1 3.75Å; L36-Y53 HydrophobicContact CD2-CE2 3.97Å; L36-Y53 HydrophobicContact CD2-CG 4.43Å; L36-Y53 HydrophobicContact CG-CE1 4.24Å; Y53-R55 VanDerWaalsContact C-N 3.29Å; Y53-R55 WeakPolarHBondContact CB-O 3.47Å; Y53-R55 PolarHBondContact O-N 3.29Å; Y53-D58 HydrophobicContact CD1-CB 3.73Å; Y53-D58 HydrophobicContact CE1-CB 4.33Å; Y53-D58 HydrophobicContact CG-CB 4.26Å; Y53-A59 HydrophobicContact CD2-CB 3.93Å; Y53-A59 HydrophobicContact CG-CB 4.25Å; Y53-A62 HydrophobicContact CE1-CB 4.47Å; Y53-A62 HydrophobicContact CE2-CB 3.78Å; Y53-A62 VanDerWaalsContact OH-CB 3.26Å; Y53-A62 WeakPolarHBondContact OH-CB 3.44Å
54V88.1Confident86Confident57 Ų5758.3 Ų58.335%0.34530%0.296SS..SBendtrans-62.5-42.1173.6178.60000110.1E35 V37E35-V54 HydrophobicContact CB-CB 4.47Å; E35-V54 HydrophobicContact CB-CG2 3.99Å; E35-V54 HydrophobicContact CG-CG2 3.8Å; E35-V54 PolarHBondContact O-N 2.83Å; V37-V54 HydrophobicContact CG2-CB 4.29Å; V37-V54 HydrophobicContact CG2-CG2 3.6Å
55R87.2Confident86.5Confident165 Ų16554.6 Ų54.662%0.62328%0.281SS*.SBendtrans-112.3139.8-177.8-57.9179.6174.5-162.6-1.3111.2Y53 S57 D58 A59Y53-R55 VanDerWaalsContact C-N 3.29Å; Y53-R55 WeakPolarHBondContact CB-O 3.47Å; Y53-R55 PolarHBondContact O-N 3.29Å; R55-S57 VanDerWaalsContact C-N 3.27Å; R55-S57 PolarHBondContact O-N 3.24Å; R55-D58 HydrophobicContact CB-CB 4.34Å; R55-D58 WeakPolarHBondContact CB-OD2 3.25Å; R55-D58 PolarHBondContact O-N 3Å; R55-A59 PolarHBondContact O-N 3.31Å
56S86.7Confident87Confident25 Ų2551.2 Ų51.218%0.17526%0.258CS..Hα-helixtrans-66.6-29.8173.457.90000113D58 A59 E60S56-D58 VanDerWaalsContact C-N 3.31Å; S56-A59 WeakPolarHBondContact O-CB 3.26Å; S56-A59 PolarHBondContact O-N 2.82Å; S56-E60 PolarHBondContact O-N 2.89Å
57S88.2Confident87.7Confident79 Ų7951.7 Ų51.755%0.55226%0.257SS*.Hα-helixtrans-64.1-37.8175.7-58.10000111.7R55 E60 K61R55-S57 VanDerWaalsContact C-N 3.27Å; R55-S57 PolarHBondContact O-N 3.24Å; S57-E60 PolarHBondContact O-N 3.34Å; S57-K61 PolarHBondContact O-N 3.43Å
58D89.9Confident87.7Confident33 Ų3351.8 Ų51.818%0.17626%0.257CS..Hα-helixtrans-70.8-38.5177.8-60.4-15.6000110.6Y53 R55 S56 E60 K61 A62Y53-D58 HydrophobicContact CD1-CB 3.73Å; Y53-D58 HydrophobicContact CE1-CB 4.33Å; Y53-D58 HydrophobicContact CG-CB 4.26Å; R55-D58 HydrophobicContact CB-CB 4.34Å; R55-D58 WeakPolarHBondContact CB-OD2 3.25Å; R55-D58 PolarHBondContact O-N 3Å; S56-D58 VanDerWaalsContact C-N 3.31Å; D58-E60 VanDerWaalsContact C-N 3.34Å; D58-E60 PolarHBondContact O-N 3.46Å; D58-K61 PolarHBondContact O-N 3.03Å; D58-A62 VanDerWaalsContact O-CB 3.29Å; D58-A62 WeakPolarHBondContact O-CB 3.17Å; D58-A62 PolarHBondContact O-N 2.74Å
59A88.4Confident87.4Confident0 Ų052.6 Ų52.60%027%0.265CS..Hα-helixtrans-60-43172.900000111.8L12 Y53 R55 S56 A62 V63 F80L12-A59 HydrophobicContact CD1-CB 4.48Å; L12-A59 HydrophobicContact CD2-CB 3.94Å; L12-A59 HydrophobicContact CG-CB 4.24Å; Y53-A59 HydrophobicContact CD2-CB 3.93Å; Y53-A59 HydrophobicContact CG-CB 4.25Å; R55-A59 PolarHBondContact O-N 3.31Å; S56-A59 WeakPolarHBondContact O-CB 3.26Å; S56-A59 PolarHBondContact O-N 2.82Å; A59-A62 PolarHBondContact O-N 2.8Å; A59-V63 WeakPolarHBondContact O-CG2 3.25Å; A59-V63 PolarHBondContact O-N 3.26Å; A59-F80 HydrophobicContact CB-CE1 4.38Å
60E88.2Confident86.8Confident80 Ų8058 Ų5837%0.37429%0.294SS..Hα-helixtrans-66.3-42.6176.8-177.1174.7-168.100112.5S56 S57 D58 A62 V63 R64 F80S56-E60 PolarHBondContact O-N 2.89Å; S57-E60 PolarHBondContact O-N 3.34Å; D58-E60 VanDerWaalsContact C-N 3.34Å; D58-E60 PolarHBondContact O-N 3.46Å; E60-A62 VanDerWaalsContact C-N 3.31Å; E60-A62 PolarHBondContact O-N 2.81Å; E60-V63 PolarHBondContact O-N 2.73Å; E60-R64 WeakPolarHBondContact O-CG 3.49Å; E60-R64 PolarHBondContact O-N 3.04Å; E60-R64 IonicContact OE1-CZ 3.32Å; E60-R64 IonicContact OE1-NE 3.46Å; E60-R64 PolarHBondContact OE1-NE 3.43Å; E60-R64 IonicContact OE1-NH2 2.64Å; E60-R64 PolarHBondContact OE1-NH2 2.77Å; E60-F80 HydrophobicContact CB-CE1 4.46Å; E60-F80 HydrophobicContact CB-CZ 3.97Å; E60-F80 HydrophobicContact CG-CZ 4.19Å
61K89.3Confident85.9Confident109 Ų10956.4 Ų56.447%0.47429%0.288SS..Hα-helixtrans-59.3-44.7173.5-173.9-178.6175.6-168.70110.9S57 D58 R64 S65S57-K61 PolarHBondContact O-N 3.43Å; D58-K61 PolarHBondContact O-N 3.03Å; K61-R64 PolarHBondContact O-N 3.34Å; K61-S65 WeakPolarHBondContact O-CB 3.36Å; K61-S65 PolarHBondContact O-N 2.95Å; K61-S65 PolarHBondContact O-OG 2.9Å
62A88.6Confident84.7Confident0 Ų060 Ų600%031%0.312CS..Hα-helixtrans-61.8-43.8177.500000112.3L12 C33 Y53 D58 A59 E60 R64 S65 L66L12-A62 HydrophobicContact CD1-CB 3.7Å; C33-A62 HydrophobicContact CB-CB 3.79Å; Y53-A62 HydrophobicContact CE1-CB 4.47Å; Y53-A62 HydrophobicContact CE2-CB 3.78Å; Y53-A62 VanDerWaalsContact OH-CB 3.26Å; Y53-A62 WeakPolarHBondContact OH-CB 3.44Å; D58-A62 VanDerWaalsContact O-CB 3.29Å; D58-A62 WeakPolarHBondContact O-CB 3.17Å; D58-A62 PolarHBondContact O-N 2.74Å; A59-A62 PolarHBondContact O-N 2.8Å; E60-A62 VanDerWaalsContact C-N 3.31Å; E60-A62 PolarHBondContact O-N 2.81Å; A62-R64 VanDerWaalsContact C-N 3.33Å; A62-R64 PolarHBondContact O-N 2.86Å; A62-S65 PolarHBondContact O-N 2.81Å; A62-L66 HydrophobicContact CB-CD1 4.14Å; A62-L66 WeakPolarHBondContact O-CA 3.36Å; A62-L66 WeakPolarHBondContact O-CB 3.39Å; A62-L66 PolarHBondContact O-N 3.46Å
63V88.5Confident83.8Confident20 Ų2059.7 Ų59.712%0.12133%0.329CS..Hα-helixtrans-60.8-43.1174.9172.90000111L12 A59 E60 N67 V78 F80L12-V63 HydrophobicContact CD1-CG2 4Å; L12-V63 HydrophobicContact CD2-CG2 3.44Å; L12-V63 VanDerWaalsContact CD2-CG2 3.44Å; L12-V63 HydrophobicContact CG-CG2 4.35Å; A59-V63 WeakPolarHBondContact O-CG2 3.25Å; A59-V63 PolarHBondContact O-N 3.26Å; E60-V63 PolarHBondContact O-N 2.73Å; V63-N67 WeakPolarHBondContact O-CB 3.49Å; V63-N67 PolarHBondContact O-N 2.89Å; V63-V78 HydrophobicContact CG2-CG1 4.05Å; V63-F80 HydrophobicContact CB-CE2 4.28Å; V63-F80 HydrophobicContact CB-CZ 4.29Å; V63-F80 HydrophobicContact CG1-CE2 4.18Å; V63-F80 HydrophobicContact CG2-CD1 4.17Å; V63-F80 HydrophobicContact CG2-CD2 4.21Å; V63-F80 HydrophobicContact CG2-CE1 3.99Å; V63-F80 HydrophobicContact CG2-CE2 4.04Å; V63-F80 HydrophobicContact CG2-CG 4.29Å; V63-F80 HydrophobicContact CG2-CZ 3.95Å
64R87.7Confident83Confident188 Ų18860.2 Ų60.271%0.70933%0.333SS*.Hα-helixtrans-69.4-37.6-179-69175-177.7-158.12.2113E60 K61 A62E60-R64 WeakPolarHBondContact O-CG 3.49Å; E60-R64 PolarHBondContact O-N 3.04Å; E60-R64 IonicContact OE1-CZ 3.32Å; E60-R64 IonicContact OE1-NE 3.46Å; E60-R64 PolarHBondContact OE1-NE 3.43Å; E60-R64 IonicContact OE1-NH2 2.64Å; E60-R64 PolarHBondContact OE1-NH2 2.77Å; K61-R64 PolarHBondContact O-N 3.34Å; A62-R64 VanDerWaalsContact C-N 3.33Å; A62-R64 PolarHBondContact O-N 2.86Å
65S86.2Confident82.8Confident68 Ų6866.3 Ų66.348%0.47635%0.35SS..Hα-helixtrans-90.3-34.9-174.7-65.60000114K61 A62 V69K61-S65 WeakPolarHBondContact O-CB 3.36Å; K61-S65 PolarHBondContact O-N 2.95Å; K61-S65 PolarHBondContact O-OG 2.9Å; A62-S65 PolarHBondContact O-N 2.81Å; S65-V69 WeakPolarHBondContact O-CG2 3.33Å
66L84Confident82.7Confident9 Ų958.6 Ų58.65%0.04732%0.321CS..Hα-helixtrans-97.9-16.3-173.2-60.8173.1000113.3E29 L30 A62 G68 V69 I76 V78E29-L66 HydrophobicContact CB-CD2 4.34Å; L30-L66 HydrophobicContact CD2-CD1 3.58Å; L30-L66 HydrophobicContact CG-CD1 4.3Å; A62-L66 HydrophobicContact CB-CD1 4.14Å; A62-L66 WeakPolarHBondContact O-CA 3.36Å; A62-L66 WeakPolarHBondContact O-CB 3.39Å; A62-L66 PolarHBondContact O-N 3.46Å; L66-G68 PolarHBondContact O-N 3.24Å; L66-G68 VanDerWaalsContact O-N 3.07Å; L66-V69 PolarHBondContact O-N 3.37Å; L66-V69 VanDerWaalsContact O-N 3.13Å; L66-I76 HydrophobicContact CB-CD1 4.23Å; L66-I76 WeakPolarHBondContact O-CG1 3.24Å; L66-V78 HydrophobicContact CB-CG2 3.86Å
67N87.2Confident82.8Confident85 Ų8564 Ų6446%0.45534%0.338SS..THydrogen-bonded Turntrans-65.9112.7176.5-175.216.8000110.6V63 V78V63-N67 WeakPolarHBondContact O-CB 3.49Å; V63-N67 PolarHBondContact O-N 2.89Å; N67-V78 HydrophobicContact CB-CB 4.33Å
68G80Confident82.8Confident19 Ų1960.3 Ų60.320%0.19631%0.311CS..THydrogen-bonded Turntrans91.15.7-178.500000115.1L66 I76L66-G68 PolarHBondContact O-N 3.24Å; L66-G68 VanDerWaalsContact O-N 3.07Å; G68-I76 WeakPolarHBondContact CA-O 3.35Å; G68-I76 PolarHBondContact N-O 3.46Å
69V78.6Confident82.7Confident48 Ų4862.1 Ų62.129%0.29132%0.319SS..  trans-71.9142.7174.2175.10000110.5S65 L66 V71 I76S65-V69 WeakPolarHBondContact O-CG2 3.33Å; L66-V69 PolarHBondContact O-N 3.37Å; L66-V69 VanDerWaalsContact O-N 3.13Å; V69-V71 HydrophobicContact CG1-CG2 4.14Å; V69-V71 PolarHBondContact O-N 3.25Å; V69-I76 HydrophobicContact CB-CG1 4.48Å; V69-I76 WeakPolarHBondContact O-CG1 3.43Å; V69-I76 PolarHBondContact O-N 2.64Å
70N76.9Confident82.7Confident114 Ų11464.8 Ų64.861%0.6133%0.33SS*.EExtended strand (participates in β ladder)trans-86.6100.1174.3-69.263000109.3S74N70-S74 CarbonylContact C-O 3.58Å; N70-S74 WeakPolarHBondContact CA-O 3.37Å
71V69.7Low82.3Confident8 Ų861.3 Ų61.35%0.04832%0.316CS..EExtended strand (participates in β ladder)trans-98.2120.9173.6-174.80000107.8D25 E29 V69 G73 S74 I76D25-V71 HydrophobicContact CB-CG1 4.41Å; E29-V71 HydrophobicContact CG-CG1 4.19Å; E29-V71 HydrophobicContact CG-CG2 4.03Å; V69-V71 HydrophobicContact CG1-CG2 4.14Å; V69-V71 PolarHBondContact O-N 3.25Å; V71-G73 PolarHBondContact O-N 3.39Å; V71-G73 VanDerWaalsContact O-N 3.09Å; V71-S74 PolarHBondContact N-O 3.41Å; V71-S74 PolarHBondContact O-N 3.29Å; V71-I76 HydrophobicContact CB-CG2 4.04Å; V71-I76 HydrophobicContact CG2-CD1 3.74Å; V71-I76 HydrophobicContact CG2-CG1 4.2Å; V71-I76 HydrophobicContact CG2-CG2 4.02Å
72C64.9Low81.2Confident77 Ų7765.3 Ų65.352%0.5234%0.335SS..THydrogen-bonded Turntrans51.335.5178.3-61.70000114.4D25D25-C72 PolarHBondContact OD2-SG 3.46Å
73G70.6Confident79.6Confident70 Ų7068.2 Ų68.272%0.72237%0.366SS*.THydrogen-bonded Turntrans87.81.1179.300000115.4V71V71-G73 PolarHBondContact O-N 3.39Å; V71-G73 VanDerWaalsContact O-N 3.09Å
74S73.5Confident77.5Confident11 Ų1170.8 Ų70.88%0.07740%0.396CS..EExtended strand (participates in β ladder)trans-116.9136.8179.8-500000111.3V18 N70 V71 I76V18-S74 WeakPolarHBondContact CB-OG 3.47Å; V18-S74 WeakPolarHBondContact CG2-OG 3.34Å; N70-S74 CarbonylContact C-O 3.58Å; N70-S74 WeakPolarHBondContact CA-O 3.37Å; V71-S74 PolarHBondContact N-O 3.41Å; V71-S74 PolarHBondContact O-N 3.29Å; S74-I76 PolarHBondContact O-N 3.03Å
75R83.6Confident75.5Confident184 Ų18468.9 Ų68.969%0.69439%0.389SS*.EExtended strand (participates in β ladder)trans-80.3109177.6-174.4176.8-178-177.30109.7
76I87.1Confident73.4Confident4 Ų470.1 Ų70.12%0.02139%0.393CS..  trans-80.1140.3178.469.8170.3000110.4I14 L17 L66 G68 V69 V71 S74 V78I14-I76 HydrophobicContact CG2-CB 4.27Å; L17-I76 HydrophobicContact CD2-CB 4.46Å; L17-I76 HydrophobicContact CD2-CG2 3.59Å; L66-I76 HydrophobicContact CB-CD1 4.23Å; L66-I76 WeakPolarHBondContact O-CG1 3.24Å; G68-I76 WeakPolarHBondContact CA-O 3.35Å; G68-I76 PolarHBondContact N-O 3.46Å; V69-I76 HydrophobicContact CB-CG1 4.48Å; V69-I76 WeakPolarHBondContact O-CG1 3.43Å; V69-I76 PolarHBondContact O-N 2.64Å; V71-I76 HydrophobicContact CB-CG2 4.04Å; V71-I76 HydrophobicContact CG2-CD1 3.74Å; V71-I76 HydrophobicContact CG2-CG1 4.2Å; V71-I76 HydrophobicContact CG2-CG2 4.02Å; S74-I76 PolarHBondContact O-N 3.03Å; I76-V78 HydrophobicContact CD1-CG2 3.88Å; I76-V78 HydrophobicContact CG1-CG2 4.17Å
77R87.6Confident71.7Confident139 Ų13979.4 Ų79.453%0.52543%0.433SS..EExtended strand (participates in β ladder)trans-109.3114172.3179.9175.4171.2-162.6-4.3107.9I14 G15 E79I14-R77 CarbonylContact C-O 3.58Å; I14-R77 WeakPolarHBondContact CA-O 3.19Å; G15-R77 PolarHBondContact N-O 2.89Å; G15-R77 PolarHBondContact O-N 3.01Å; R77-E79 HydrophobicContact CG-CG 4.14Å; R77-E79 IonicContact CZ-OE1 3.08Å; R77-E79 IonicContact CZ-OE2 3.7Å; R77-E79 VanDerWaalsContact NE-CD 3.28Å; R77-E79 IonicContact NE-OE1 2.76Å; R77-E79 PolarHBondContact NE-OE1 2.64Å; R77-E79 IonicContact NE-OE2 3.71Å; R77-E79 VanDerWaalsContact NH2-CD 3.28Å; R77-E79 IonicContact NH2-OE1 2.64Å; R77-E79 PolarHBondContact NH2-OE1 2.76Å; R77-E79 IonicContact NH2-OE2 3.24Å; R77-E79 PolarHBondContact NH2-OE2 2.78Å
78V89.2Confident69.8Low0 Ų080.7 Ų80.70%045%0.449CS..EExtended strand (participates in β ladder)trans-107.2123.2-179.6-172.70000108.6L12 Y13 I14 V63 L66 N67 I76L12-V78 HydrophobicContact CB-CG1 4.26Å; L12-V78 HydrophobicContact CD1-CG1 3.78Å; Y13-V78 CarbonylContact O-C 3.47Å; Y13-V78 WeakPolarHBondContact O-CA 3.48Å; I14-V78 HydrophobicContact CG1-CG2 4.4Å; V63-V78 HydrophobicContact CG2-CG1 4.05Å; L66-V78 HydrophobicContact CB-CG2 3.86Å; N67-V78 HydrophobicContact CB-CB 4.33Å; I76-V78 HydrophobicContact CD1-CG2 3.88Å; I76-V78 HydrophobicContact CG1-CG2 4.17Å
79E87.8Confident68.2Low72 Ų7281.1 Ų81.134%0.33645%0.451SS..EExtended strand (participates in β ladder)trans-132.6155.9178.7-61.6-167.2151.900110.2L12 Y13 R77 A81L12-E79 CarbonylContact C-O 3.54Å; L12-E79 WeakPolarHBondContact CA-O 3.48Å; Y13-E79 HydrophobicContact CD1-CB 4.49Å; Y13-E79 PolarHBondContact N-O 3.5Å; Y13-E79 PolarHBondContact O-N 3.42Å; R77-E79 HydrophobicContact CG-CG 4.14Å; R77-E79 IonicContact CZ-OE1 3.08Å; R77-E79 IonicContact CZ-OE2 3.7Å; R77-E79 VanDerWaalsContact NE-CD 3.28Å; R77-E79 IonicContact NE-OE1 2.76Å; R77-E79 PolarHBondContact NE-OE1 2.64Å; R77-E79 IonicContact NE-OE2 3.71Å; R77-E79 VanDerWaalsContact NH2-CD 3.28Å; R77-E79 IonicContact NH2-OE1 2.64Å; R77-E79 PolarHBondContact NH2-OE1 2.76Å; R77-E79 IonicContact NH2-OE2 3.24Å; R77-E79 PolarHBondContact NH2-OE2 2.78Å; E79-A81 PolarHBondContact O-N 3.24Å
80F87.7Confident66.7Low55 Ų5584 Ų8424%0.24146%0.464CS..EExtended strand (participates in β ladder)trans-61.7126.7167.5-67.6-73.7000108.7C9 L12 A59 E60 V63 H82C9-F80 HydrophobicContact CB-CB 4.27Å; C9-F80 HydrophobicContact CB-CD1 4.01Å; L12-F80 HydrophobicContact CD2-CD1 3.65Å; L12-F80 HydrophobicContact CD2-CE1 4.04Å; L12-F80 HydrophobicContact CD2-CG 4.4Å; A59-F80 HydrophobicContact CB-CE1 4.38Å; E60-F80 HydrophobicContact CB-CE1 4.46Å; E60-F80 HydrophobicContact CB-CZ 3.97Å; E60-F80 HydrophobicContact CG-CZ 4.19Å; V63-F80 HydrophobicContact CB-CE2 4.28Å; V63-F80 HydrophobicContact CB-CZ 4.29Å; V63-F80 HydrophobicContact CG1-CE2 4.18Å; V63-F80 HydrophobicContact CG2-CD1 4.17Å; V63-F80 HydrophobicContact CG2-CD2 4.21Å; V63-F80 HydrophobicContact CG2-CE1 3.99Å; V63-F80 HydrophobicContact CG2-CE2 4.04Å; V63-F80 HydrophobicContact CG2-CG 4.29Å; V63-F80 HydrophobicContact CG2-CZ 3.95Å; F80-H82 PolarHBondContact O-N 2.88Å
81A80.8Confident65.1Low8 Ų881.9 Ų81.97%0.06647%0.469CS..  trans-61.5118176.500000107.4K11 F50 E79 G83K11-A81 HydrophobicContact CB-CB 3.93Å; K11-A81 HydrophobicContact CD-CB 4.19Å; K11-A81 HydrophobicContact CG-CB 3.72Å; K11-A81 VanDerWaalsContact O-CB 3.24Å; K11-A81 WeakPolarHBondContact O-CB 3.5Å; K11-A81 PolarHBondContact O-N 2.97Å; F50-A81 HydrophobicContact CD1-CB 4.28Å; F50-A81 HydrophobicContact CE1-CB 4.27Å; E79-A81 PolarHBondContact O-N 3.24Å; A81-G83 VanDerWaalsContact C-N 3.33Å; A81-G83 PolarHBondContact O-N 2.9Å
82H66Low64.3Low192 Ų19285.5 Ų85.589%0.88950%0.495SS*.  trans-67.5101.6171.7-145.272.9000105.9F80 G84F80-H82 PolarHBondContact O-N 2.88Å; H82-G84 PolarHBondContact O-N 3.02Å
83G54.7Low63.7Low62 Ų6285 Ų8564%0.63950%0.496SS*.  trans-53.9106.4-176.100000109.6A81 R85A81-G83 VanDerWaalsContact C-N 3.33Å; A81-G83 PolarHBondContact O-N 2.9Å; G83-R85 PolarHBondContact O-N 2.72Å
84G44.4Very low62.6Low73 Ų7389.2 Ų89.275%0.75350%0.495SS*.  trans-53.8111.6158.200000106.5H82 T86H82-G84 PolarHBondContact O-N 3.02Å; G84-T86 PolarHBondContact O-N 3.03Å
85R44.5Very low61.5Low149 Ų14997.3 Ų97.356%0.56253%0.531SS*.  trans17.2106.9162.6-62.1175-176.1152.6-1.6112.3G83 K87 I90G83-R85 PolarHBondContact O-N 2.72Å; R85-K87 PolarHBondContact O-N 3.47Å; R85-I90 HydrophobicContact CB-CD1 4.14Å; R85-I90 HydrophobicContact CB-CG1 3.96Å; R85-I90 HydrophobicContact CG-CG1 4.36Å
86T42.6Very low59.4Low93 Ų9392.5 Ų92.557%0.57154%0.538SS*.  trans-38.5135.7153.255.20000107.5G84 S88 A89G84-T86 PolarHBondContact O-N 3.03Å; T86-S88 PolarHBondContact O-N 3.13Å; T86-A89 PolarHBondContact O-N 3.3Å
87K49.3Very low57.3Low204 Ų20495.7 Ų95.789%0.88757%0.573SS**THydrogen-bonded Turntrans-62.115.8173.6-146.4173.1178.4-178.70112.3R85R85-K87 PolarHBondContact O-N 3.47Å
88S45.8Very low55.3Low112 Ų112100.7 Ų100.778%0.78359%0.592SS**THydrogen-bonded Turntrans-115.21.3172.7-50.30000113.6T86T86-S88 PolarHBondContact O-N 3.13Å
89A47.5Very low53.1Low28 Ų28107.4 Ų107.423%0.23164%0.638CS.*THydrogen-bonded Turntrans-117.4-3.4176.700000114.4T86 G91 S92T86-A89 PolarHBondContact O-N 3.3Å; A89-G91 PolarHBondContact O-N 3.28Å; A89-S92 PolarHBondContact O-N 3.43Å
90I46.7Very low51.2Low109 Ų109107 Ų10756%0.55965%0.654SS**THydrogen-bonded Turntrans-74.4-1.8171.8-72165.1000112.1R85R85-I90 HydrophobicContact CB-CD1 4.14Å; R85-I90 HydrophobicContact CB-CG1 3.96Å; R85-I90 HydrophobicContact CG-CG1 4.36Å
91G44.3Very low48.8Very low70 Ų70107.9 Ų107.972%0.72268%0.678SS**THydrogen-bonded Turntrans-106-2.9171.500000115.8A89A89-G91 PolarHBondContact O-N 3.28Å
92S52.8Low47.2Very low84 Ų84119.6 Ų119.659%0.58772%0.721SS**THydrogen-bonded Turntrans-126.7-8.4-169.263.90000115.8A89A89-S92 PolarHBondContact O-N 3.43Å
93A50.6Low46.2Very low67 Ų67114 Ų11455%0.55471%0.714SS**SBendtrans-96.12.2-178.200000114.8
94F49.2Very low45.9Very low158 Ų158115.8 Ų115.869%0.69372%0.718SS**SBendtrans-119.112.7178.4-66.6-75.6000114.1
95H49.1Very low45.6Very low180 Ų180121.7 Ų121.783%0.83372%0.723SS**SBendtrans-128.869.1173.4-76.5-0.7000110.3
96G41Very low45.8Very low83 Ų83126.2 Ų126.286%0.85674%0.74SS**  trans-170.325.2179.800000114.5
97G42.4Very low45.8Very low72 Ų72133.6 Ų133.674%0.74276%0.757SS**  trans-140.270.3-171.300000111.8
98R44.6Very low45.6Very low243 Ų243134.1 Ų134.192%0.91775%0.754SS**  trans-162.181.7149-106.8170.7-166.3-145.53.3108.9G100R98-G100 VanDerWaalsContact C-N 3.28Å; R98-G100 PolarHBondContact O-N 3.22Å
99S44.3Very low45.3Very low141 Ų141135.5 Ų135.599%0.98675%0.752SS**  trans-57.9100.7147.4-176.90000106.5
100G46.2Very low45.2Very low64 Ų64139.3 Ų139.366%0.6678%0.777SS**  trans-156.684.6-173.800000108.5R98R98-G100 VanDerWaalsContact C-N 3.28Å; R98-G100 PolarHBondContact O-N 3.22Å
101G38.6Very low45.3Very low73 Ų73139.4 Ų139.475%0.75379%0.785SS**  trans-62.2153.4-174.200000114.4
102R47.9Very low45Very low255 Ų255147.1 Ų147.196%0.96279%0.792SS**  trans-176.7124.1140-107.8176.6-174.3-169.32110.5
103G43.7Very low44.7Very low73 Ų73151.8 Ų151.875%0.75380%0.804SS**  trans71.989.2148.100000116
104S48.3Very low44Very low101 Ų101153.2 Ų153.271%0.70681%0.81SS**  57.692.767.7-144.30000113.6
105F38.7Very low43.7Very low196 Ų196151.7 Ų151.786%0.8681%0.809SS**  trans28.497.6141-46.2-76.9000117.6
106R47.7Very low43.4Very low244 Ų244153.4 Ų153.492%0.92181%0.808SS**  trans-137.175.8147.3-70.2-164-162.4-169.87.1111.5R108R106-R108 PolarHBondContact O-N 2.86Å
107R42.7Very low43.2Very low248 Ų248156.5 Ų156.594%0.93681%0.805SS**  trans-55.6107.3139.3-72.1-91.4-147.9-172.84.2107.4
108R44.7Very low43.3Very low216 Ų216158 Ų15882%0.81581%0.805SS**  trans-162.3110.3158.7-158.7165.8-74.4-153-0.9111.5R106R106-R108 PolarHBondContact O-N 2.86Å
109N40.1Very low42.9Very low140 Ų140151.1 Ų151.175%0.74979%0.794SS**  trans37112139.7-60.3-8000117.4
110S46Very low42.7Very low108 Ų108154.2 Ų154.276%0.75579%0.785SS**  115.516390.9-92.10000108.1
111P49Very low42.6Very low111 Ų111158.4 Ų158.472%0.72179%0.792SS**  cis-130.9156.3-29.327.4-7.6000112.7
112R37.7Very low42.6Very low233 Ų233157.5 Ų157.588%0.87978%0.784SS**  trans-4.7126.2148.3-56.5172.3-178.6174.4-1.3115.1
113H46.8Very low42.1Very low182 Ų182153.8 Ų153.884%0.84378%0.777SS**  trans-151.692.1137.8-105.546.9000108.6
114S36.3Very low41.8Very low96 Ų96161.1 Ų161.167%0.67178%0.782SS**  trans-61.3156.6145.654.50000109.1
115N41.8Very low41.4Very low127 Ų127166.6 Ų166.668%0.67979%0.788SS**  trans105.9129.8-173.7-57.5-30.7000108
116R42Very low41.7Very low215 Ų215162.2 Ų162.281%0.81178%0.78SS**  cis-167.113411.7-116.8165174153.5-3.2102.3
117D38.5Very low41.5Very low148 Ų148156.8 Ų156.879%0.79177%0.769SS**  48.2100103.9-138.8-61.4000112.2
118S44.1Very low41.4Very low104 Ų104153.1 Ų153.173%0.72776%0.756SS**  18098.5120.3-155.20000109.3
119S36.3Very low41.2Very low99 Ų99149.9 Ų149.969%0.69276%0.755SS**  trans-49.3156.1145.4-35.80000109.7
120Y40.7Very low41.3Very low206 Ų206151.2 Ų151.281%0.80876%0.757SS**  trans77.5134.1162.3-99.8-99.1000119.2
121N43.2Very low40.8Very low151 Ų151154.9 Ų154.981%0.80776%0.76SS**  trans72.1131.2166.1-63.3-23.4000115.7
122G38.7Very low40Very low55 Ų55154.9 Ų154.957%0.56776%0.762SS**  cis153.4120.413.600000107.2
123H37.1Very low39.8Very low177 Ų177148.3 Ų148.382%0.81975%0.752SS**  trans61.9129.7148.1-50.2-58.6000121.7
124R38.3Very low39.3Very low226 Ų226150.1 Ų150.185%0.85376%0.758SS**  trans71.1103.3135.5-86.4-178.3-178.9162.10.8118.6
125Y39.9Very low39.3Very low216 Ų216154 Ų15485%0.84777%0.765SS**  179.6150.491.1-121-99.7000109.1
126P43.4Very low38.7Very low105 Ų105153 Ų15368%0.68277%0.768SS**  trans-95.9137.1-17435.5-26.5000112.4
127D44.1Very low38.5Very low130 Ų130147.2 Ų147.270%0.69576%0.761SS**  trans-152.4158.5177-156.3-77.5000108.2
128Y39.9Very low38.2Very low170 Ų170148.6 Ų148.667%0.66776%0.762SS**  -108.9171.1-125.5-21-83.8000114.1
129D41.4Very low38.3Very low148 Ų148149.3 Ų149.379%0.79176%0.762SS**  trans71.297.7156.9-66.5-61.6000119.1
130Q41.8Very low38.8Very low168 Ų168150.2 Ų150.279%0.78576%0.763SS**SBend-177.5110.3116-105.5-176.8-16.100112.7
131F35.9Very low38.6Very low186 Ų186148 Ų14882%0.81677%0.766SS**SBendtrans72.564.5155.5-56.3-69.3000118.7
132S32.3Very low38.4Very low111 Ų111145.2 Ų145.278%0.77676%0.763SS**  trans-151.3138.2139.453.40000110
133S33.7Very low38.3Very low95 Ų95146.9 Ų146.966%0.66477%0.772SS**  trans97.998.5175.8-390000115.9
134F37Very low38.5Very low220 Ų220144.8 Ų144.897%0.96578%0.777SS**  -143.790.5118.6-73.6-65.1000108
135H34.9Very low38.6Very low177 Ų177136.8 Ų136.882%0.81977%0.765SS**  trans-67.4147.9156.3-100.962.8000109.2
136S29.8Very low38.7Very low106 Ų106137.5 Ų137.574%0.74177%0.768SS**  trans32.8122.8148.9-70.90000119.7
137S37.9Very low39.1Very low94 Ų94136.4 Ų136.466%0.65776%0.761SS**  166.6133.9101.157.20000110
138E32.2Very low39.2Very low177 Ų177140.5 Ų140.583%0.82777%0.768SS**  trans72.6129.3150.3-60.6171.9-173.400114.6
139V45.7Very low39.4Very low118 Ų118135.8 Ų135.872%0.71577%0.771SS**  cis-173.5147.343.3-90.40000108.1
140T46.5Very low39.9Very low118 Ų118135 Ų13572%0.72477%0.774SS**  trans59.1109.3141.859.20000122.3
141N36.6Very low40.1Very low161 Ų161132.1 Ų132.186%0.86177%0.773SS**  32.2114.1115.9-68.8-27.6000119
142A40.2Very low40.3Very low92 Ų92128 Ų12876%0.7677%0.767SS**  trans171.9110.4130.700000107.5
143A34.9Very low41.2Very low89 Ų89134.5 Ų134.574%0.73678%0.776SS**  54.9127.67400000113
144S42.2Very low41.7Very low133 Ų133138.6 Ų138.693%0.9379%0.785SS**  trans84.8134.8178.680.20000115.4
145G41.1Very low42.3Very low59 Ų59132.6 Ų132.661%0.60877%0.77SS**  cis175.4134.80.700000110.2
146Y40.8Very low42.7Very low230 Ų230131.8 Ų131.890%0.90277%0.769SS**  trans30.7177.3141.6-64.1-74.5000122.8
147P51.6Low43.7Very low82 Ų82134.2 Ų134.253%0.53277%0.772SS.*  cis-135.1-172.4-19.114.912.1000114
148Y46.5Very low44.3Very low216 Ų216135.3 Ų135.385%0.84778%0.778SS**  trans106.498.4157-48.8-64.9000119.3
149G43.8Very low45.6Very low71 Ų71136.8 Ų136.873%0.73278%0.781SS**  trans-89.7-164.5143.800000110.2
150P52.1Low46.1Very low133 Ų133138 Ų13886%0.86478%0.784SS**  cis-136.2177.916.740-20.9000114.7
151S46.6Very low47.1Very low107 Ų107135.8 Ų135.875%0.74877%0.771SS**  trans172105.2134.9-167.60000112.1
152S40.9Very low48.7Very low100 Ų100132.2 Ų132.270%0.69976%0.758SS**  37.7101.6129.9-46.90000120.3
153Y51Low49.7Very low246 Ų246130.9 Ų130.997%0.96575%0.747SS**  trans-144122.1132.7-88.7-77.4000110
154Q44.4Very low51.1Low181 Ų181133.1 Ų133.185%0.84674%0.743SS**  trans-94.5155.4-177.3-177.2169.88.600110.4
155S48.9Very low52.3Low94 Ų94132.4 Ų132.466%0.65772%0.723SS**  trans78.3135.7165.379.90000115.2
156M42.6Very low53.3Low160 Ų160133.6 Ų133.679%0.78872%0.715SS**  cis-162.4113.237.8-69.4-83.2-178.500109.2
157L52Low54.3Low157 Ų157130.5 Ų130.582%0.82270%0.701SS**  trans-155.8104.4155.7-76.2-172.8000110.1
158P50.2Low54.8Low118 Ų118129.5 Ų129.577%0.76670%0.696SS**  trans-98.394.2-178.834.3-24000109.2
159F60.1Low55.4Low207 Ų207124.3 Ų124.391%0.90868%0.683SS**  trans173.217.9151.6-119.8-91.4000114.6
160L56.2Low55.8Low145 Ų145127.4 Ų127.476%0.75968%0.678SS**PPolyproline II helixtrans-88126.8176.3-70.3171.6000110S162L160-S162 PolarHBondContact O-N 3.48Å
161P66.8Low55.8Low71 Ų71125 Ų12546%0.46166%0.664SS.*PPolyproline II helixtrans-60.3136.5173.824.4-31.3000109.4F165P161-F165 HydrophobicContact CB-CB 4.32Å; P161-F165 HydrophobicContact CB-CD1 3.69Å; P161-F165 HydrophobicContact CB-CE1 4.4Å; P161-F165 HydrophobicContact CB-CG 4.28Å; P161-F165 HydrophobicContact CG-CD1 4.38Å
162S69.4Low56Low85 Ų85127.7 Ų127.759%0.59467%0.665SS**PPolyproline II helixtrans-50144.7179.7-520000111.3L160 E164 F165 I166L160-S162 PolarHBondContact O-N 3.48Å; S162-E164 PolarHBondContact O-N 2.98Å; S162-F165 WeakPolarHBondContact O-CB 3.42Å; S162-F165 PolarHBondContact O-N 3.22Å; S162-I166 PolarHBondContact O-N 2.73Å
163A62.6Low56.3Low64 Ų64127.7 Ų127.753%0.52967%0.665SS.*Hα-helixtrans-53.8-25.9175.600000112.6I166 R167A163-I166 PolarHBondContact O-N 3.21Å; A163-R167 VanDerWaalsContact O-CG 3.3Å; A163-R167 WeakPolarHBondContact O-CG 3.48Å; A163-R167 PolarHBondContact O-N 3.34Å
164E63.7Low56Low136 Ų136126.3 Ų126.364%0.63666%0.658SS**Hα-helixtrans-66.1-36.4173.2-60.5-53.8114.400113.7S162 R167 S168S162-E164 PolarHBondContact O-N 2.98Å; E164-R167 PolarHBondContact O-N 3.46Å; E164-S168 WeakPolarHBondContact O-CB 3.41Å; E164-S168 PolarHBondContact O-N 3.39Å
165F67Low56Low118 Ų118128.7 Ų128.752%0.51866%0.659SS.*Hα-helixtrans-69.6-38.7174.8178.5-99.3000111.6P161 S162 S168 L169P161-F165 HydrophobicContact CB-CB 4.32Å; P161-F165 HydrophobicContact CB-CD1 3.69Å; P161-F165 HydrophobicContact CB-CE1 4.4Å; P161-F165 HydrophobicContact CB-CG 4.28Å; P161-F165 HydrophobicContact CG-CD1 4.38Å; S162-F165 WeakPolarHBondContact O-CB 3.42Å; S162-F165 PolarHBondContact O-N 3.22Å; F165-S168 WeakPolarHBondContact O-CB 3.3Å; F165-S168 PolarHBondContact O-N 3.31Å; F165-L169 HydrophobicContact CD1-CD1 4.03Å; F165-L169 HydrophobicContact CE1-CD1 3.58Å; F165-L169 HydrophobicContact CZ-CD1 4.05Å; F165-L169 PolarHBondContact O-N 3.04Å
166I62.3Low55.6Low85 Ų85136.1 Ų136.144%0.43667%0.673SS.*Hα-helixtrans-67.1-39.3177.1-59176.2000110.6S162 A163 L169 Q170S162-I166 PolarHBondContact O-N 2.73Å; A163-I166 PolarHBondContact O-N 3.21Å; I166-L169 PolarHBondContact O-N 3.03Å; I166-Q170 PolarHBondContact O-N 3.49Å
167R61.6Low55.7Low164 Ų164133.5 Ų133.562%0.61967%0.67SS**Hα-helixtrans-67.2-32.9174.7-73.6173.9-178.7-120.81.1112.8A163 E164 Q170 S171A163-R167 VanDerWaalsContact O-CG 3.3Å; A163-R167 WeakPolarHBondContact O-CG 3.48Å; A163-R167 PolarHBondContact O-N 3.34Å; E164-R167 PolarHBondContact O-N 3.46Å; R167-Q170 PolarHBondContact O-N 3.4Å; R167-S171 PolarHBondContact O-N 3.44Å; R167-S171 PolarHBondContact O-OG 2.84Å
168S62.5Low55.5Low61 Ų61131.1 Ų131.143%0.42767%0.666SS.*Hα-helixtrans-63.6-39.5174.41660000113.2E164 F165 S171 H172E164-S168 WeakPolarHBondContact O-CB 3.41Å; E164-S168 PolarHBondContact O-N 3.39Å; F165-S168 WeakPolarHBondContact O-CB 3.3Å; F165-S168 PolarHBondContact O-N 3.31Å; S168-S171 PolarHBondContact O-N 2.99Å; S168-H172 PolarHBondContact O-ND1 3.44Å; S168-H172 VanDerWaalsContact O-ND1 3.13Å
169L58Low55.3Low108 Ų108132.4 Ų132.457%0.56568%0.675SS**Hα-helixtrans-69.7-34.6177.9-73.1163000113.1F165 I166 S171F165-L169 HydrophobicContact CD1-CD1 4.03Å; F165-L169 HydrophobicContact CE1-CD1 3.58Å; F165-L169 HydrophobicContact CZ-CD1 4.05Å; F165-L169 PolarHBondContact O-N 3.04Å; I166-L169 PolarHBondContact O-N 3.03Å; L169-S171 VanDerWaalsContact C-N 3.31Å
170Q53.5Low54.7Low135 Ų135125.5 Ų125.563%0.63166%0.662SS**Hα-helixtrans-76.1-20.5176.8-72.5177.8-10.300112.9I166 R167I166-Q170 PolarHBondContact O-N 3.49Å; R167-Q170 PolarHBondContact O-N 3.4Å
171S51.9Low54.3Low83 Ų83130.2 Ų130.258%0.5867%0.669SS**Hα-helixtrans-77.9-19.2-179.6-59.10000113.4R167 S168 L169R167-S171 PolarHBondContact O-N 3.44Å; R167-S171 PolarHBondContact O-OG 2.84Å; S168-S171 PolarHBondContact O-N 2.99Å; L169-S171 VanDerWaalsContact C-N 3.31Å
172H51.3Low53.6Low164 Ų164134.6 Ų134.676%0.75969%0.688SS**THydrogen-bonded Turntrans-90.7-6.9175.5-72.781.6000114S168S168-H172 PolarHBondContact O-ND1 3.44Å; S168-H172 VanDerWaalsContact O-ND1 3.13Å
173S46.3Very low52.8Low99 Ų99136 Ų13669%0.69269%0.694SS**  trans-93.812.6179.5-172.80000113.7R175S173-R175 PolarHBondContact O-N 2.71Å
174R45.5Very low52.2Low218 Ų218140.6 Ų140.682%0.82371%0.709SS**  trans-97.858.5175.2-64.7-171.3-177.6-164.41.7112.1
175R43.9Very low52.2Low230 Ų230140.1 Ų140.187%0.86872%0.718SS**  trans-134.260.9154.5-70-159-167.2-118.65.9109.7S173 S177S173-R175 PolarHBondContact O-N 2.71Å; R175-S177 VanDerWaalsContact C-N 3.26Å; R175-S177 PolarHBondContact O-N 3.38Å
176R39.3Very low51.6Low251 Ų251140.3 Ų140.395%0.94773%0.728SS**  trans-86.676.7160.8-151.3176.2-149.4-144.34.5106.5
177S46.7Very low50.7Low104 Ų104144.1 Ų144.173%0.72775%0.75SS**  trans-100.2121.7175.1-60.70000108.5R175R175-S177 VanDerWaalsContact C-N 3.26Å; R175-S177 PolarHBondContact O-N 3.38Å
178S47.6Very low50.1Low107 Ų107144.9 Ų144.975%0.74876%0.76SS**  trans-14.2140.9174.2-49.20000119G180S178-G180 PolarHBondContact O-N 3.27Å
179P46Very low49.1Very low146 Ų146154 Ų15495%0.94879%0.785SS**  trans-74.293.9167.832-28.7000108.4
180G46.2Very low48.4Very low61 Ų61151.7 Ų151.763%0.62979%0.788SS**  trans-123.9109.8178.200000110.7S178S178-G180 PolarHBondContact O-N 3.27Å
181R48.3Very low47.9Very low244 Ų244154.3 Ų154.392%0.92180%0.8SS**  trans33.2105.2156.1-75.9-178.9176.3-164.3-1.4117.7
182I51.2Low47.9Very low164 Ų164155.8 Ų155.884%0.84181%0.81SS**PPolyproline II helixtrans-101.7121.2153.7-51.6175.3000107.1
183P52.4Low48Very low114 Ų114153.7 Ų153.774%0.7481%0.811SS**PPolyproline II helixtrans-69.8138.9176.6-14.829.1000111.8
184L50.8Low48Very low161 Ų161156.8 Ų156.884%0.84382%0.818SS**PPolyproline II helixtrans-62.7139.2172.6-62.5168.2000110.7V186L184-V186 PolarHBondContact O-N 3.27Å
185P63.4Low48.3Very low126 Ų126150.4 Ų150.482%0.81881%0.807SS**PPolyproline II helixtrans-69.5120.8172.927.3-31000110.5
186V54.5Low48.3Very low121 Ų121150.7 Ų150.773%0.73381%0.808SS**PPolyproline II helixtrans-62.3129.3169.5147.90000110.1L184 Q188L184-V186 PolarHBondContact O-N 3.27Å; V186-Q188 HydrophobicContact CG1-CG 4.23Å; V186-Q188 PolarHBondContact O-N 2.92Å
187N43.8Very low48.7Very low165 Ų165150.2 Ų150.288%0.88281%0.806SS**PPolyproline II helixtrans-59.1116.8167.9-78-43.6000110.3
188Q48.3Very low48.4Very low180 Ų180156.2 Ų156.284%0.84181%0.813SS**  trans-110.2116.9161.5-68.8-165.235.200110V186V186-Q188 HydrophobicContact CG1-CG 4.23Å; V186-Q188 PolarHBondContact O-N 2.92Å
189R43.1Very low48.5Very low252 Ų252156.5 Ų156.595%0.95182%0.815SS**  trans-45.7147.3160.2-86.8168.6170.6174.9-2.4111.7
190G42.6Very low48.6Very low61 Ų61160.2 Ų160.263%0.62981%0.81SS**  trans148.3104.914600000115.1
191H43Very low48.9Very low189 Ų189163.2 Ų163.288%0.87582%0.822SS**  trans53.9119.1140.8-58.9-54.9000118.6
192S52Low49Very low114 Ų114157 Ų15780%0.79781%0.813SS**  -176.7164.968.5-80.70000111.9
193P53Low48.9Very low121 Ų121157.8 Ų157.879%0.78682%0.818SS**  trans-104.5157.2-151.138.4-30.7000114.5
194I46Very low48.6Very low163 Ų163155.7 Ų155.784%0.83682%0.817SS**  trans-144.5109.3158.1-140158.8000113.1
195S51.3Low49Very low84 Ų84154.6 Ų154.659%0.58782%0.817SS**  trans25119.8147.959.30000122.9
196R45.1Very low48.4Very low236 Ų236154.6 Ų154.689%0.89182%0.817SS**  56.3116118.8-61178.9-157.8147.65.2120
197R47.5Very low48.5Very low241 Ų241155.9 Ų155.991%0.90983%0.825SS**  157.8107.1124.2-87.4174.1-167.7-90.43.8106.6
198R39.4Very low48.5Very low231 Ų231151.1 Ų151.187%0.87281%0.814SS**  68.488.658.7-151.7-176.8-151.6-144.78.1114.7
199S49.7Very low48.4Very low113 Ų113154.1 Ų154.179%0.7982%0.818SS**  trans-174.196.2148.329.70000108.6
200R48.3Very low48.8Very low223 Ų223147.1 Ų147.184%0.84281%0.805SS**  55.2104.492.4-86.7-173.4170.5173.6-3.9114.6
201S53.5Low48.8Very low124 Ų124156.4 Ų156.487%0.86782%0.821SS**  trans-160.6124.6139.9-73.40000109.1
202P50Low48.9Very low115 Ų115150.8 Ų150.875%0.74781%0.814SS**  trans-107.6152.6-172.525.4-7.4000115.1
203L49.5Very low48.5Very low180 Ų180157.3 Ų157.394%0.94282%0.821SS**  trans55.8120.6141.4-57.5172.4000120.9
204G45.3Very low48.6Very low70 Ų70156.8 Ų156.872%0.72282%0.82SS**  trans-16889163.500000112.9
205V59.2Low49.1Very low138 Ų138154.6 Ų154.684%0.83682%0.817SS**  trans27.7136.1150.8-68.50000123
206P51.4Low49.2Very low125 Ų125156.2 Ų156.281%0.81283%0.825SS**  trans-102.7134.5158.835.3-24.2000112.2
207V55.8Low49.3Very low149 Ų149154.6 Ų154.690%0.90383%0.828SS**  trans-147.4139168.6176.90000109.7
208G44.3Very low49Very low64 Ų64148.4 Ų148.466%0.6682%0.822SS**  trans-93.4174.3-16700000118.8
209R45.5Very low49.2Very low244 Ų244147.6 Ų147.692%0.92182%0.82SS**  trans42.5160.8136.8-95.5-169.4-178.3-159.42.1121
210P51.9Low49.2Very low104 Ų104148.2 Ų148.268%0.67582%0.815SS**  -133179.4-61.632.7-10.8000111.4
211R42.8Very low49Very low257 Ų257140.9 Ų140.997%0.9781%0.808SS**  trans172.3128.1161.9-97.5161.9-168.1-177.74.9105
212G44.3Very low48.3Very low71 Ų71147.1 Ų147.173%0.73281%0.813SS**  cis117.5123.837.700000107.6
213R45.4Very low48Very low250 Ų250147 Ų14794%0.94381%0.814SS**  trans108.6122-178.1-78-179.8169.6177.4-2.8112.8
214S54Low47.3Very low110 Ų110146.9 Ų146.977%0.76981%0.811SS**  cis-155.5167.736.7-700000112.2
215P57.2Low47.2Very low118 Ų118149.5 Ų149.577%0.76682%0.818SS**PPolyproline II helixtrans-80.1167.5-158.5-9.526.8000116.9
216P53.3Low46.5Very low118 Ų118154.5 Ų154.577%0.76682%0.822SS**PPolyproline II helixtrans-85.1133.6171.333.6-29.3000112.1
217E47.1Very low46.1Very low202 Ų202156.7 Ų156.794%0.94482%0.821SS**PPolyproline II helixtrans-70.7130.3170.2-76.8-162.2120.400111.1
218S42Very low45.7Very low111 Ų111157.2 Ų157.278%0.77682%0.818SS**PPolyproline II helixtrans-92.8129.6170.5-55.60000108.4
219Y43.5Very low45.6Very low214 Ų214160 Ų16084%0.83982%0.818SS**  trans-151.7112.7149.8-138.2-94.7000112
220D48.7Very low45.6Very low126 Ų126155.5 Ų155.567%0.67481%0.809SS**  trans36.499.8147.1-62.5-22.9000120.9
221G43.4Very low45.2Very low68 Ų68161.2 Ų161.270%0.70182%0.817SS**  55.199.4106.900000118.2
222R40.2Very low45.1Very low256 Ų256152.6 Ų152.697%0.96681%0.808SS**  -171125.3112.3-100.9165.5-165.6-171.15111.8
223S43.8Very low45.1Very low111 Ų111161.3 Ų161.378%0.77682%0.819SS**  trans-71.8143.8-176.7-470000113
224M34.9Very low44.9Very low179 Ų179153.2 Ų153.288%0.88281%0.814SS**  trans17.9123.2132.8-59.7176.7142.200117.7
225S43.3Very low44.2Very low125 Ų125151.1 Ų151.187%0.87481%0.809SS**  trans-16897.6131.6-780000110.3
226R44.5Very low43.5Very low243 Ų243156.3 Ų156.392%0.91782%0.815SS**  trans-74.9154149.6-73.9179.2-104159.9-5106.9
227H41.9Very low43.2Very low170 Ų170155.8 Ų155.879%0.78781%0.814SS**  trans72.3111172.4-98.5177.8000115.9
228L48.3Very low42.8Very low161 Ų161153.6 Ų153.684%0.84381%0.809SS**  177.9136.3102.8-90.4160.9000109.9
229D41.9Very low42.9Very low121 Ų121157.5 Ų157.565%0.64781%0.813SS**  trans-60.2172.7173.9-50-74.8000112.7
230M46.2Very low43Very low151 Ų151152.8 Ų152.874%0.74481%0.811SS**  trans99.1114.4154-59.7-65.9165.400118.2
231R43.4Very low42.6Very low224 Ų224158.8 Ų158.885%0.84582%0.824SS**  trans84.696135-64.7166.7-166.8-130.35.7117.8
232G39.8Very low42.8Very low76 Ų76160.6 Ų160.678%0.78483%0.826SS**  64.7107.1104.800000118.6
233R44.4Very low43Very low253 Ų253159.9 Ų159.996%0.95582%0.823SS**  trans177121.7136.7-92-158.8-150.3-125.88.5104.6
234G41.8Very low43.5Very low81 Ų81162.2 Ų162.284%0.83583%0.826SS**  cis93.1109.543.200000108.9
235G39.2Very low44.3Very low65 Ų65159.3 Ų159.367%0.6782%0.82SS**  trans124.497.8150.800000118.7
236Y42.2Very low44.5Very low227 Ų227165.5 Ų165.589%0.8982%0.824SS**  trans28.9126.7136.9-54-82.6000121.2
237S46.3Very low45.1Very low108 Ų108157.1 Ų157.176%0.75581%0.814SS**  174.5126.8104.140.30000111.6
238D38.7Very low45.8Very low155 Ų155155.2 Ų155.283%0.82982%0.816SS**  trans-61.9127.4168.7-70-71.2000111.3
239F45.6Very low45.7Very low194 Ų194159.6 Ų159.685%0.85182%0.821SS**  trans-152.4140.7150.7-84.1-71000111.8
240S44.9Very low46.2Very low115 Ų115158.5 Ų158.580%0.80483%0.83SS**  trans9685154.2-51.90000118.5
241R40.9Very low46.3Very low251 Ų251157.8 Ų157.895%0.94783%0.834SS**  trans-56.7129.7156.8-69.2170.8171.5-177.1-3.1112.1
242S47.3Very low46.6Very low107 Ų107157.3 Ų157.375%0.74883%0.833SS**  trans-158.290.2146.852.80000108.5
243R44.2Very low47.5Very low240 Ų240158.6 Ų158.691%0.90683%0.83SS**  69.783.189.2-156.9-165.5-59.3-143.57.8113
244I54.1Low48.8Very low161 Ų161151.5 Ų151.583%0.82682%0.817SS**  trans-142.2118.9150.5-54.5-179.3000108.6
245P52.2Low50Low118 Ų118153.4 Ų153.477%0.76681%0.814SS**PPolyproline II helixtrans-81142.2-17730.8-31.2000112.5
246R47.8Very low50.2Low255 Ų255159 Ų15996%0.96282%0.821SS**PPolyproline II helixtrans-72.4121.1173.1-67.8-176.8175.5177.4-1.1110.1
247G55.7Low50.9Low67 Ų67154.9 Ų154.969%0.69182%0.819SS**PPolyproline II helixtrans-77.8163.3172.500000113.6
248P56.4Low51.2Low130 Ų130158.9 Ų158.984%0.84482%0.818SS**PPolyproline II helixtrans-80.7148.4-17132.9-32.7000112.7A250P248-A250 PolarHBondContact O-N 3.43Å
249R46.5Very low51.6Low252 Ų252158.9 Ų158.995%0.95181%0.812SS**PPolyproline II helixtrans-53.6116.1174.5-107.9174.3169.8-175.7-3.6111.3
250A53.6Low52.6Low99 Ų99157.4 Ų157.482%0.81881%0.81SS**PPolyproline II helixtrans-71.2127164.700000110.2P248P248-A250 PolarHBondContact O-N 3.43Å
251T47.1Very low52.8Low135 Ų135158.3 Ų158.383%0.82881%0.806SS**PPolyproline II helixtrans-64.6124.5171.744.30000111.1
252Y50.6Low53.3Low215 Ų215149.3 Ų149.384%0.84379%0.791SS**  trans-106.6110.5164.7-166.8-95.8000108.2
253S57.1Low53.8Low102 Ų102154.6 Ų154.671%0.71380%0.795SS**PPolyproline II helixtrans-89119.1175.6-64.10000109.6
254P71.9Confident54.5Low105 Ų105153.4 Ų153.468%0.68279%0.79SS**PPolyproline II helixtrans-78.5149.4171.530.4-32000111.7
255P66.7Low54.5Low120 Ų120151.6 Ų151.678%0.77978%0.782SS**PPolyproline II helixtrans-75.5146.4178.831-32.8000112.4
256F45.2Very low54.6Low183 Ų183152.7 Ų152.780%0.80378%0.777SS**PPolyproline II helixtrans-62.7120.9-179.1-142.2-101000111.6R258F256-R258 HydrophobicContact CE1-CB 4.41Å
257V56.5Low55Low141 Ų141145.7 Ų145.786%0.85577%0.767SS**  trans-137109.5158.2-152.20000108.2E259V257-E259 PolarHBondContact O-N 3.05Å
258R52.4Low55Low192 Ų192153.3 Ų153.373%0.72578%0.775SS**  trans-87104.9-174.2-165.2173.7175.8167.9-2.1108.2F256F256-R258 HydrophobicContact CE1-CB 4.41Å
259E47.7Very low54.8Low154 Ų154150.6 Ų150.672%0.7277%0.77SS**  trans-74.3116.5169.1-157.5178.9137.600108.4V257 N261V257-E259 PolarHBondContact O-N 3.05Å; E259-N261 PolarHBondContact OE1-ND2 3.26Å
260M64.9Low55.3Low164 Ų164150.1 Ų150.181%0.80877%0.769SS**  trans-118.495.1160-87.4-137161.700108.9
261N50.9Low55.4Low134 Ų134157.2 Ų157.272%0.71777%0.774SS**  trans-56.9137.6157.3-72-59.7000110E259E259-N261 PolarHBondContact OE1-ND2 3.26Å
262G50.9Low55.7Low61 Ų61154.2 Ų154.263%0.62977%0.77SS**  trans147.7105.7142.300000117.8
263R57.5Low56.1Low219 Ų219154.9 Ų154.983%0.82677%0.771SS**  82.8121.7125.1-64.3175.8-176.8175.51.6118.3
264R58.2Low56.1Low215 Ų215156.4 Ų156.481%0.81177%0.772SS**  trans71.7148.6130.4-71.9-179.7-166.2-165.51.9115.9
265D54.8Low55.4Low122 Ų122157.8 Ų157.865%0.65277%0.773SS**  cis-172162.1-21.2-135.9-49.5000102.7
266E53.5Low54.9Low141 Ų141162.3 Ų162.366%0.65978%0.775SS**  trans40.8117.6150.4-74.2166.6111.900120.9
267S57.3Low55.5Low109 Ų109162.8 Ų162.876%0.76277%0.771SS**  168.298.9115.3-73.60000109.1
268R54.7Low55.6Low227 Ų227166 Ų16686%0.85777%0.768SS**  5594.993.9-68.9-174.2-178.9173.44.2114.1
269G51.8Low55.9Low72 Ų72171.9 Ų171.974%0.74279%0.79SS**  102159.9115.800000118.3
270R57.2Low56.3Low242 Ų242172.8 Ų172.891%0.91379%0.794SS**  trans89.186.3174.3-52.3-170.7-177.2-151.21.7113.1
271R56.5Low55.9Low248 Ų248173.3 Ų173.394%0.93679%0.793SS**  46.2100.673.8-66.1-167.4-175.8-171.62113
272G53.4Low56.2Low72 Ų72175.4 Ų175.474%0.74280%0.797SS**  81.4153.8115.600000118.7
273R58.5Low56.5Low229 Ų229182.2 Ų182.286%0.86481%0.807SS**  trans86.9103.4169.1-60.9-173.1-172.3178.42.2114.4
274D57.3Low56.4Low135 Ų135179.9 Ų179.972%0.72281%0.806SS**  78.3131.275.5-72.1-41.5000111.5
275D58Low56.3Low133 Ų133177.5 Ų177.571%0.71181%0.805SS**  trans69.2112.8142.6-78.1-35.1000118.9
276R55.3Low56.4Low216 Ų216181.5 Ų181.582%0.81582%0.816SS**  142.3107.2125.6-79.6154.5-161-156.99110
277R57.7Low56.6Low192 Ų192184.6 Ų184.673%0.72583%0.829SS**  82.6126.788.5-84.4-172.3-179.4-160.1-1.1112.5
278R59.7Low56.6Low208 Ų208190.9 Ų190.979%0.78583%0.834SS**  trans74.2131.2147.3-61.5165.7179-164.4-3.2113.3
279R58.7Low56.7Low317 Ų317187.6 Ų187.6100%1.19683%0.832SS**  cis-143.5027.7-77.1178.2164.3175-6.2110

Retrieved 279 of 279 residues in 119.6 ms (Link to these results)