A0A5K4F7P3_SCHMA Loading...

SEA domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F7P3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 159 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
1M49.9Very low85.9Confident229 Ų22971.3 Ų71.3100%1.12833%0.333SS*.  0121.40-80176.6168.500108.1R3M1-R3 PolarHBondContact O-N 3.22Å
2H61.3Low86.7Confident151 Ų15165.8 Ų65.870%0.69931%0.309SS*.  trans-72.5113.2168.8-7689.7000107.5
3R76.4Confident87.5Confident167 Ų16760.8 Ų60.863%0.6329%0.285SS*.  trans-78.7130.1171.3-71.8-174176.3-173-0.3107.8M1 S106 A110M1-R3 PolarHBondContact O-N 3.22Å; R3-S106 PolarHBondContact O-N 3.39Å; R3-A110 HydrophobicContact CB-CB 4.42Å
4V87Confident87.9Confident62 Ų6259.9 Ų59.938%0.37628%0.278SS..EExtended strand (participates in β ladder)trans-102.7124.3173.4-177.80000107.3E103 I104V4-E103 HydrophobicContact CG1-CB 3.78Å; V4-E103 HydrophobicContact CG1-CG 4.08Å; V4-I104 WeakPolarHBondContact CA-O 3.4Å
5S91.1Very high87.8Confident0 Ų057.7 Ų57.70%027%0.271CS..EExtended strand (participates in β ladder)trans-106.3127.2172.4-57.70000108.8E103 I104 A109 A110S5-E103 WeakPolarHBondContact O-CA 3.04Å; S5-I104 PolarHBondContact N-O 2.83Å; S5-I104 PolarHBondContact O-N 2.97Å; S5-A109 PolarHBondContact OG-O 2.86Å; S5-A109 VanDerWaalsContact OG-O 3.13Å; S5-A110 VanDerWaalsContact OG-CA 3.28Å; S5-A110 WeakPolarHBondContact OG-CA 3.24Å; S5-A110 PolarHBondContact OG-N 2.84Å
6T94.2Very high86.8Confident27 Ų2761.2 Ų61.217%0.16629%0.292CS..EExtended strand (participates in β ladder)trans-111.7125.2-175.2-47.80000110.5N101 V102 E103 L144T6-N101 HydrophobicContact CG2-CB 3.81Å; T6-V102 WeakPolarHBondContact CA-O 3.36Å; T6-E103 HydrophobicContact CG2-CG 3.99Å; T6-L144 HydrophobicContact CG2-CD1 3.82Å; T6-L144 PolarHBondContact O-N 2.87Å
7F95.3Very high85.7Confident0 Ų061.4 Ų61.40%031%0.313CS..EExtended strand (participates in β ladder)trans-117.5124178.7-61.7-89.8000109.4N101 V102 I104 L112 V117 I141 N142 N143F7-N101 CarbonylContact O-C 3.54Å; F7-N101 WeakPolarHBondContact O-CA 3.34Å; F7-V102 PolarHBondContact N-O 3.07Å; F7-V102 PolarHBondContact O-N 2.9Å; F7-I104 HydrophobicContact CD2-CD1 4.15Å; F7-I104 HydrophobicContact CE2-CD1 4.11Å; F7-L112 HydrophobicContact CZ-CB 3.88Å; F7-V117 HydrophobicContact CB-CG1 4.48Å; F7-V117 HydrophobicContact CD1-CB 4.17Å; F7-V117 HydrophobicContact CD1-CG1 4.38Å; F7-V117 HydrophobicContact CD1-CG2 3.81Å; F7-V117 HydrophobicContact CD2-CG1 4.41Å; F7-V117 HydrophobicContact CD2-CG2 4.12Å; F7-V117 HydrophobicContact CE1-CB 4.3Å; F7-V117 HydrophobicContact CE1-CG2 3.5Å; F7-V117 VanDerWaalsContact CE1-CG2 3.5Å; F7-V117 HydrophobicContact CE2-CG2 3.84Å; F7-V117 HydrophobicContact CG-CB 4.44Å; F7-V117 HydrophobicContact CG-CG1 4.17Å; F7-V117 HydrophobicContact CG-CG2 4.13Å; F7-V117 HydrophobicContact CZ-CG2 3.54Å; F7-I141 HydrophobicContact CB-CG2 3.7Å; F7-I141 HydrophobicContact CD1-CG2 4.24Å; F7-I141 HydrophobicContact CG-CG2 4.34Å; F7-N142 CarbonylContact C-O 3.32Å; F7-N142 WeakPolarHBondContact CA-O 3.35Å; F7-N143 HydrophobicContact CD1-CB 3.86Å; F7-N143 HydrophobicContact CE1-CB 3.69Å
8Q97.2Very high84.9Confident67 Ų6759.7 Ų59.731%0.31331%0.314SS..EExtended strand (participates in β ladder)trans-79.7122.8169.8-179.5177.588.100108.8T99 A100 I141 N142 L144Q8-T99 HydrophobicContact CG-CG2 3.71Å; Q8-A100 CarbonylContact C-O 3.55Å; Q8-A100 WeakPolarHBondContact CA-O 3.26Å; Q8-I141 CarbonylContact O-C 3.5Å; Q8-I141 VanDerWaalsContact O-CA 3.3Å; Q8-I141 WeakPolarHBondContact O-CA 3.49Å; Q8-N142 PolarHBondContact N-O 3.23Å; Q8-N142 PolarHBondContact O-N 3.35Å; Q8-L144 HydrophobicContact CB-CD1 4.27Å; Q8-L144 HydrophobicContact CB-CD2 3.78Å; Q8-L144 HydrophobicContact CB-CG 3.97Å
9V97.8Very high84.5Confident0 Ų061.4 Ų61.40%033%0.331CS..EExtended strand (participates in β ladder)trans-104.4134.8175.3-1770000108.6L47 T99 A100 V102 L139 I141V9-L47 HydrophobicContact CB-CD1 4.14Å; V9-L47 HydrophobicContact CG1-CD1 4.05Å; V9-L47 HydrophobicContact CG1-CD2 3.74Å; V9-L47 HydrophobicContact CG2-CD1 4.41Å; V9-T99 CarbonylContact O-C 3.57Å; V9-T99 VanDerWaalsContact O-CA 3.22Å; V9-T99 WeakPolarHBondContact O-CA 3.22Å; V9-A100 PolarHBondContact N-O 3.5Å; V9-A100 PolarHBondContact O-N 2.73Å; V9-V102 HydrophobicContact CG2-CB 4.37Å; V9-V102 HydrophobicContact CG2-CG2 3.7Å; V9-L139 HydrophobicContact CG1-CD1 3.46Å; V9-L139 VanDerWaalsContact CG1-CD1 3.46Å; V9-I141 HydrophobicContact CB-CG1 4.47Å; V9-I141 HydrophobicContact CG1-CD1 4.39Å; V9-I141 HydrophobicContact CG1-CG1 4.18Å; V9-I141 HydrophobicContact CG2-CD1 3.97Å; V9-I141 HydrophobicContact CG2-CG1 4.06Å; V9-I141 HydrophobicContact CG2-CG2 4.16Å
10K97.9Very high84.6Confident80 Ų8060.6 Ų60.635%0.34833%0.328SS..EExtended strand (participates in β ladder)trans-134.2134.1175.6173.9169.2150.7144.30109.6Q97 G98 L139 V140K10-Q97 HydrophobicContact CG-CG 4.01Å; K10-Q97 VanDerWaalsContact NZ-CD 3.31Å; K10-Q97 VanDerWaalsContact NZ-OE1 3.11Å; K10-G98 VanDerWaalsContact CA-O 3.32Å; K10-G98 WeakPolarHBondContact CA-O 3.21Å; K10-L139 WeakPolarHBondContact O-CA 3.21Å; K10-V140 PolarHBondContact N-O 2.87Å; K10-V140 PolarHBondContact O-N 2.81Å
11A97.1Very high84.9Confident1 Ų158.4 Ų58.41%0.00832%0.317CS..EExtended strand (participates in β ladder)trans-155.7153.9178.300000111.6Q97 G98 L136 L139A11-Q97 CarbonylContact O-C 3.55Å; A11-Q97 WeakPolarHBondContact O-CA 3.43Å; A11-G98 PolarHBondContact N-O 3.2Å; A11-G98 PolarHBondContact O-N 3.11Å; A11-L136 HydrophobicContact CB-CB 3.88Å; A11-L136 HydrophobicContact CB-CD1 4.33Å; A11-L136 HydrophobicContact CB-CD2 4.03Å; A11-L136 HydrophobicContact CB-CG 4.28Å; A11-L139 HydrophobicContact CB-CD1 4.19Å
12V95.8Very high87Confident6 Ų649.4 Ų49.44%0.03627%0.273CS..EExtended strand (participates in β ladder)trans-84.4134.8167.4-175.70000108.6Y14 V72 L74 S137 N138V12-Y14 HydrophobicContact CB-CE2 4.07Å; V12-Y14 HydrophobicContact CG1-CD2 4.18Å; V12-Y14 HydrophobicContact CG1-CE2 3.52Å; V12-V72 HydrophobicContact CG1-CG1 4.11Å; V12-V72 HydrophobicContact CG2-CG1 4.31Å; V12-L74 HydrophobicContact CG1-CD2 4.05Å; V12-S137 PolarHBondContact N-O 2.64Å; V12-S137 PolarHBondContact O-N 2.78Å; V12-N138 HydrophobicContact CG2-CB 4.45Å
13L96Very high88.5Confident0 Ų048.7 Ų48.70%027%0.265CS..EExtended strand (participates in β ladder)trans-98.6131.9-172.2-51.4-173.2000111.5H22 L39 F43 F69 V96 Q135 L136L13-H22 HydrophobicContact CB-CB 4.11Å; L13-H22 PolarHBondContact O-N 3.41Å; L13-L39 HydrophobicContact CD1-CD1 4.06Å; L13-L39 HydrophobicContact CD1-CD2 4.06Å; L13-L39 HydrophobicContact CD1-CG 4.12Å; L13-F43 HydrophobicContact CD2-CD2 3.87Å; L13-F43 HydrophobicContact CD2-CE2 3.98Å; L13-F69 HydrophobicContact CD1-CD1 4.05Å; L13-F69 HydrophobicContact CD1-CE1 3.69Å; L13-V96 HydrophobicContact CB-CB 4.43Å; L13-V96 HydrophobicContact CD1-CB 4.4Å; L13-V96 HydrophobicContact CD1-CG1 3.82Å; L13-V96 HydrophobicContact CG-CG1 4.31Å; L13-V96 PolarHBondContact N-O 3.24Å; L13-Q135 WeakPolarHBondContact CA-O 3.49Å; L13-L136 HydrophobicContact CD2-CD2 3.55Å
14Y93.5Very high89.4Confident48 Ų4843.4 Ų43.419%0.18825%0.245CC..EExtended strand (participates in β ladder)trans-125.4156.1176.9-73.2-103.5000111.6V12 G18 T20 P21 H22 V134 Q135V12-Y14 HydrophobicContact CB-CE2 4.07Å; V12-Y14 HydrophobicContact CG1-CD2 4.18Å; V12-Y14 HydrophobicContact CG1-CE2 3.52Å; Y14-G18 WeakPolarHBondContact CD1-O 3.43Å; Y14-T20 CarbonylContact C-O 3.54Å; Y14-T20 VanDerWaalsContact CA-O 3.27Å; Y14-T20 WeakPolarHBondContact CA-O 3.34Å; Y14-T20 WeakPolarHBondContact CB-O 3.22Å; Y14-T20 WeakPolarHBondContact CD1-O 3.28Å; Y14-P21 HydrophobicContact CD1-CB 4.16Å; Y14-P21 HydrophobicContact CE1-CB 3.99Å; Y14-H22 PolarHBondContact O-CD2 3.13Å; Y14-V134 CarbonylContact O-C 3.46Å; Y14-V134 WeakPolarHBondContact O-CA 3.09Å; Y14-Q135 PolarHBondContact N-O 3.41Å; Y14-Q135 PolarHBondContact O-N 3.05Å
15T86Confident89.8Confident28 Ų2842.2 Ų42.217%0.17224%0.239CC..EExtended strand (participates in β ladder)trans-105.7-179.8166.362.80000110.4G17 G18 S19 T20 H22T15-G17 PolarHBondContact O-N 3.28Å; T15-G18 PolarHBondContact O-N 3.16Å; T15-S19 PolarHBondContact O-N 3.45Å; T15-T20 PolarHBondContact N-O 3.14Å; T15-T20 WeakPolarHBondContact OG1-CB 3.43Å; T15-T20 PolarHBondContact OG1-O 3.28Å; T15-H22 WeakPolarHBondContact CG2-CE1 3.41Å; T15-H22 WeakPolarHBondContact CG2-NE2 3.35Å
16D72.3Confident90Very high113 Ų11346.9 Ų46.960%0.60427%0.269SS*.G310 helixtrans50.458162.2-49.5-39.3000114.9G18 S19D16-G18 PolarHBondContact O-N 3.14Å; D16-G18 VanDerWaalsContact O-N 3.17Å; D16-S19 PolarHBondContact O-N 3.37Å; D16-S19 PolarHBondContact O-OG 3.3Å
17G68.1Low90.2Very high64 Ų6449.8 Ų49.866%0.6628%0.284SS*.G310 helixtrans68.813.9178.200000114.4T15 Q135T15-G17 PolarHBondContact O-N 3.28Å; G17-Q135 PolarHBondContact O-OE1 2.92Å
18G71.3Confident90.3Very high31 Ų3150.3 Ų50.332%0.3229%0.287SS..G310 helixtrans92.75.8176.100000113Y14 T15 D16Y14-G18 WeakPolarHBondContact CD1-O 3.43Å; T15-G18 PolarHBondContact O-N 3.16Å; D16-G18 PolarHBondContact O-N 3.14Å; D16-G18 VanDerWaalsContact O-N 3.17Å
19S77.2Confident90.3Very high93 Ų9352 Ų5265%0.6530%0.302SS*.THydrogen-bonded Turntrans-90.1-31.2-175640000113.4T15 D16T15-S19 PolarHBondContact O-N 3.45Å; D16-S19 PolarHBondContact O-N 3.37Å; D16-S19 PolarHBondContact O-OG 3.3Å
20T86.6Confident90.2Very high44 Ų4456.1 Ų56.127%0.2732%0.324SS..EExtended strand (participates in β ladder)trans-110.2126.2-178.6-58.20000109.3Y14 T15 Y23Y14-T20 CarbonylContact C-O 3.54Å; Y14-T20 VanDerWaalsContact CA-O 3.27Å; Y14-T20 WeakPolarHBondContact CA-O 3.34Å; Y14-T20 WeakPolarHBondContact CB-O 3.22Å; Y14-T20 WeakPolarHBondContact CD1-O 3.28Å; T15-T20 PolarHBondContact N-O 3.14Å; T15-T20 WeakPolarHBondContact OG1-CB 3.43Å; T15-T20 PolarHBondContact OG1-O 3.28Å; T20-Y23 HydrophobicContact CG2-CE2 4.06Å
21P90.5Very high90.2Very high15 Ų1558 Ų5810%0.09733%0.332CS..EExtended strand (participates in β ladder)trans-70.8148.6174.729.8-33.9000111Y14 Y23 L74Y14-P21 HydrophobicContact CD1-CB 4.16Å; Y14-P21 HydrophobicContact CE1-CB 3.99Å; P21-Y23 HydrophobicContact CG-CD1 4.43Å; P21-Y23 HydrophobicContact CG-CE1 3.89Å; P21-Y23 PolarHBondContact O-N 2.58Å; P21-L74 HydrophobicContact CB-CD1 3.19Å; P21-L74 HydrophobicContact CG-CD1 3.59Å
22H93.6Very high90.2Very high41 Ų4162.6 Ų62.619%0.1936%0.364CS..PPolyproline II helixtrans-63.6120.6158.6-87.6-85000107.7L13 Y14 T15 G95 V96 G133L13-H22 HydrophobicContact CB-CB 4.11Å; L13-H22 PolarHBondContact O-N 3.41Å; Y14-H22 PolarHBondContact O-CD2 3.13Å; T15-H22 WeakPolarHBondContact CG2-CE1 3.41Å; T15-H22 WeakPolarHBondContact CG2-NE2 3.35Å; H22-G95 CarbonylContact O-C 3.38Å; H22-G95 WeakPolarHBondContact O-CA 3.33Å; H22-V96 HydrophobicContact CB-CB 4.09Å; H22-V96 HydrophobicContact CB-CG2 3.99Å; H22-V96 WeakPolarHBondContact O-CG2 3.45Å; H22-V96 PolarHBondContact O-N 2.76Å; H22-G133 PolarHBondContact NE2-O 3.32Å
23Y93Very high90.3Very high136 Ų13663.2 Ų63.253%0.53337%0.368SS..BIsolated β-bridgetrans-78.1139.6178.9-64.9-74.4000110.8T20 P21 S25 T93 Q94T20-Y23 HydrophobicContact CG2-CE2 4.06Å; P21-Y23 HydrophobicContact CG-CD1 4.43Å; P21-Y23 HydrophobicContact CG-CE1 3.89Å; P21-Y23 PolarHBondContact O-N 2.58Å; Y23-S25 PolarHBondContact O-N 3.43Å; Y23-T93 HydrophobicContact CE1-CG2 4.36Å; Y23-Q94 WeakPolarHBondContact CA-O 3.45Å
24W95.6Very high90.4Very high56 Ų5667.7 Ų67.721%0.21240%0.397CS..PPolyproline II helixtrans-60.4137.1175.7178.9-109000110.8L28 F69 P71 Q94 V96W24-L28 HydrophobicContact CE3-CB 4.49Å; W24-L28 HydrophobicContact CE3-CD1 4.14Å; W24-L28 HydrophobicContact CH2-CB 4.14Å; W24-L28 HydrophobicContact CZ3-CB 3.93Å; W24-L28 HydrophobicContact CZ3-CD1 4.26Å; W24-F69 HydrophobicContact CZ3-CB 3.96Å; W24-P71 HydrophobicContact CB-CB 4.26Å; W24-P71 HydrophobicContact CD2-CB 3.68Å; W24-P71 HydrophobicContact CD2-CG 4.23Å; W24-P71 HydrophobicContact CE3-CB 4.1Å; W24-P71 HydrophobicContact CG-CB 3.72Å; W24-P71 HydrophobicContact CZ2-CG 4.37Å; W24-Q94 HydrophobicContact CB-CB 3.77Å; W24-Q94 PolarHBondContact N-O 2.83Å; W24-V96 HydrophobicContact CE3-CG2 4.24Å
25S95.4Very high90.6Very high37 Ų3767.4 Ų67.426%0.25941%0.405SS..  trans-132139.1170171.20000109Y23 D27 L28Y23-S25 PolarHBondContact O-N 3.43Å; S25-D27 PolarHBondContact O-N 3.19Å; S25-D27 VanDerWaalsContact O-N 3.1Å; S25-D27 PolarHBondContact OG-N 3.34Å; S25-L28 WeakPolarHBondContact O-CB 3.45Å; S25-L28 PolarHBondContact O-N 3.18Å
26P95.9Very high91.2Very high97 Ų9767 Ų6763%0.6340%0.4SS*.G310 helixtrans-53.2-28.7172.5-26.135000113.7L28 T29P26-L28 PolarHBondContact O-N 3.35Å; P26-L28 VanDerWaalsContact O-N 3.15Å; P26-T29 VanDerWaalsContact O-CB 3.26Å; P26-T29 WeakPolarHBondContact O-CB 3.46Å; P26-T29 PolarHBondContact O-N 3.45Å; P26-T29 PolarHBondContact O-OG1 2.95Å; P26-T29 VanDerWaalsContact O-OG1 3.06Å
27D97.4Very high92.4Very high89 Ų8965.4 Ų65.448%0.47639%0.391SS..G310 helixtrans-59.8-25.4178.1-67.7-26.3000113S25 T29 N30 T33 A35S25-D27 PolarHBondContact O-N 3.19Å; S25-D27 VanDerWaalsContact O-N 3.1Å; S25-D27 PolarHBondContact OG-N 3.34Å; D27-T29 PolarHBondContact O-N 2.74Å; D27-N30 PolarHBondContact O-N 3.13Å; D27-T33 HydrophobicContact CB-CG2 4.15Å; D27-T33 WeakPolarHBondContact O-CG2 3.15Å; D27-T33 PolarHBondContact O-OG1 2.94Å; D27-A35 HydrophobicContact CB-CB 4.01Å
28L97.7Very high93.8Very high10 Ų1067.4 Ų67.45%0.05239%0.386CS..G310 helixtrans-72.5-6.8176-60.2178.8000113.3W24 S25 P26 A35 Y36 L39 F69 V96W24-L28 HydrophobicContact CE3-CB 4.49Å; W24-L28 HydrophobicContact CE3-CD1 4.14Å; W24-L28 HydrophobicContact CH2-CB 4.14Å; W24-L28 HydrophobicContact CZ3-CB 3.93Å; W24-L28 HydrophobicContact CZ3-CD1 4.26Å; S25-L28 WeakPolarHBondContact O-CB 3.45Å; S25-L28 PolarHBondContact O-N 3.18Å; P26-L28 PolarHBondContact O-N 3.35Å; P26-L28 VanDerWaalsContact O-N 3.15Å; L28-A35 HydrophobicContact CD2-CB 4.25Å; L28-Y36 VanDerWaalsContact O-CD2 3.3Å; L28-Y36 WeakPolarHBondContact O-CD2 3.41Å; L28-L39 HydrophobicContact CD1-CD2 3.92Å; L28-L39 HydrophobicContact CD2-CB 4.39Å; L28-L39 HydrophobicContact CD2-CD2 3.8Å; L28-F69 HydrophobicContact CB-CB 4.1Å; L28-F69 HydrophobicContact CB-CD2 4.38Å; L28-F69 HydrophobicContact CD2-CD2 4.23Å; L28-V96 HydrophobicContact CD1-CB 4.49Å; L28-V96 HydrophobicContact CD1-CG1 4.13Å; L28-V96 HydrophobicContact CD1-CG2 3.48Å; L28-V96 VanDerWaalsContact CD1-CG2 3.48Å
29T96.6Very high95Very high102 Ų10266.6 Ų66.663%0.62638%0.375SS*.G310 helixtrans-82.2-29.3171.9-46.70000111.2P26 D27P26-T29 VanDerWaalsContact O-CB 3.26Å; P26-T29 WeakPolarHBondContact O-CB 3.46Å; P26-T29 PolarHBondContact O-N 3.45Å; P26-T29 PolarHBondContact O-OG1 2.95Å; P26-T29 VanDerWaalsContact O-OG1 3.06Å; D27-T29 PolarHBondContact O-N 2.74Å
30N97Very high96Very high88 Ų8862.8 Ų62.847%0.47135%0.348SS..SBendtrans-97.7112.8-179178.1-4000110.6D27 S32 T33 Y36D27-N30 PolarHBondContact O-N 3.13Å; N30-S32 PolarHBondContact O-N 2.94Å; N30-S32 PolarHBondContact OD1-N 2.95Å; N30-T33 HydrophobicContact CB-CG2 3.75Å; N30-T33 PolarHBondContact O-N 3.33Å; N30-T33 VanDerWaalsContact O-N 3.12Å; N30-T33 PolarHBondContact O-OG1 3.29Å; N30-T33 VanDerWaalsContact O-OG1 3.08Å; N30-Y36 WeakPolarHBondContact O-CB 3.5Å
31K97.6Very high96.6Very high118 Ų11864.4 Ų64.451%0.51336%0.359SS..THydrogen-bonded Turntrans-64.5-14.6-175.1-58.6-166.4173.5-176.40115Y36 I37K31-Y36 VanDerWaalsContact CA-CD1 3.44Å; K31-Y36 HydrophobicContact CB-CD1 3.99Å; K31-Y36 HydrophobicContact CB-CE1 3.76Å; K31-Y36 HydrophobicContact CB-CG 4.47Å; K31-Y36 HydrophobicContact CD-CE1 4.34Å; K31-Y36 WeakPolarHBondContact CE-OH 3.19Å; K31-Y36 HydrophobicContact CG-CD1 4.38Å; K31-Y36 HydrophobicContact CG-CD2 4.42Å; K31-Y36 HydrophobicContact CG-CE1 3.87Å; K31-Y36 HydrophobicContact CG-CE2 3.88Å; K31-Y36 VanDerWaalsContact O-CD1 3.26Å; K31-Y36 WeakPolarHBondContact O-CD1 3.21Å; K31-I37 WeakPolarHBondContact O-CG1 3.42Å
32S97.7Very high96.9Very high99 Ų9965.3 Ų65.369%0.69237%0.365SS*.THydrogen-bonded Turntrans-92.2-4.7179.9-55.40000113.3N30N30-S32 PolarHBondContact O-N 2.94Å; N30-S32 PolarHBondContact OD1-N 2.95Å
33T98.1Very high97.1Very high18 Ų1863.4 Ų63.411%0.1136%0.356CS..SBendtrans-75.6146.9179.667.20000110.9D27 N30 A35 Y36 I37D27-T33 HydrophobicContact CB-CG2 4.15Å; D27-T33 WeakPolarHBondContact O-CG2 3.15Å; D27-T33 PolarHBondContact O-OG1 2.94Å; N30-T33 HydrophobicContact CB-CG2 3.75Å; N30-T33 PolarHBondContact O-N 3.33Å; N30-T33 VanDerWaalsContact O-N 3.12Å; N30-T33 PolarHBondContact O-OG1 3.29Å; N30-T33 VanDerWaalsContact O-OG1 3.08Å; T33-A35 PolarHBondContact O-N 3.44Å; T33-Y36 PolarHBondContact O-N 3.4Å; T33-Y36 WeakPolarHBondContact OG1-CB 3.39Å; T33-Y36 PolarHBondContact OG1-N 3.5Å; T33-Y36 VanDerWaalsContact OG1-N 3.1Å; T33-I37 WeakPolarHBondContact O-CG1 3.48Å; T33-I37 PolarHBondContact O-N 2.84Å
34P97.9Very high97.3Very high94 Ų9457.8 Ų57.861%0.6134%0.337SS*.Hα-helixtrans-56.4-36.5172.2-26.435.2000112.7I37 N38P34-I37 PolarHBondContact O-N 3.02Å; P34-N38 VanDerWaalsContact O-CB 3.25Å; P34-N38 WeakPolarHBondContact O-CB 3.39Å; P34-N38 PolarHBondContact O-N 3.41Å; P34-N38 PolarHBondContact O-ND2 2.96Å
35A96.8Very high97.3Very high42 Ų4257 Ų5735%0.34734%0.34SS..Hα-helixtrans-59.6-49.5176.900000111.7D27 L28 T33 L39D27-A35 HydrophobicContact CB-CB 4.01Å; L28-A35 HydrophobicContact CD2-CB 4.25Å; T33-A35 PolarHBondContact O-N 3.44Å; A35-L39 WeakPolarHBondContact O-CB 3.49Å; A35-L39 PolarHBondContact O-N 2.7Å; A35-L39 VanDerWaalsContact O-N 3.14Å
36Y98.4Very high97.4Very high19 Ų1955.6 Ų55.68%0.07533%0.329CS..Hα-helixtrans-63-50.1176.5178.4-83.8000111.8L28 N30 K31 T33 N38 L39 A40 V67 F69L28-Y36 VanDerWaalsContact O-CD2 3.3Å; L28-Y36 WeakPolarHBondContact O-CD2 3.41Å; N30-Y36 WeakPolarHBondContact O-CB 3.5Å; K31-Y36 VanDerWaalsContact CA-CD1 3.44Å; K31-Y36 HydrophobicContact CB-CD1 3.99Å; K31-Y36 HydrophobicContact CB-CE1 3.76Å; K31-Y36 HydrophobicContact CB-CG 4.47Å; K31-Y36 HydrophobicContact CD-CE1 4.34Å; K31-Y36 WeakPolarHBondContact CE-OH 3.19Å; K31-Y36 HydrophobicContact CG-CD1 4.38Å; K31-Y36 HydrophobicContact CG-CD2 4.42Å; K31-Y36 HydrophobicContact CG-CE1 3.87Å; K31-Y36 HydrophobicContact CG-CE2 3.88Å; K31-Y36 VanDerWaalsContact O-CD1 3.26Å; K31-Y36 WeakPolarHBondContact O-CD1 3.21Å; T33-Y36 PolarHBondContact O-N 3.4Å; T33-Y36 WeakPolarHBondContact OG1-CB 3.39Å; T33-Y36 PolarHBondContact OG1-N 3.5Å; T33-Y36 VanDerWaalsContact OG1-N 3.1Å; Y36-N38 PolarHBondContact O-N 3.12Å; Y36-L39 PolarHBondContact O-N 2.85Å; Y36-A40 HydrophobicContact CD1-CB 4.32Å; Y36-A40 HydrophobicContact CE1-CB 4.01Å; Y36-A40 WeakPolarHBondContact O-CB 3.49Å; Y36-A40 PolarHBondContact O-N 2.9Å; Y36-V67 PolarHBondContact OH-O 3.4Å; Y36-F69 AromaticContact CD2-CD2 3.67Å; Y36-F69 HydrophobicContact CD2-CD2 3.67Å; Y36-F69 AromaticContact CD2-CE2 4Å; Y36-F69 HydrophobicContact CD2-CE2 4Å; Y36-F69 AromaticContact CE2-CD2 3.76Å; Y36-F69 HydrophobicContact CE2-CD2 3.76Å; Y36-F69 HydrophobicContact CE2-CE2 4.05Å
37I98.5Very high97.4Very high81 Ų8151 Ų5142%0.41530%0.299SS..Hα-helixtrans-61.2-45.6-174.2-67.4166.8000110.6K31 T33 P34 T41K31-I37 WeakPolarHBondContact O-CG1 3.42Å; T33-I37 WeakPolarHBondContact O-CG1 3.48Å; T33-I37 PolarHBondContact O-N 2.84Å; P34-I37 PolarHBondContact O-N 3.02Å; I37-T41 WeakPolarHBondContact O-CB 3.41Å; I37-T41 PolarHBondContact O-N 2.68Å; I37-T41 PolarHBondContact O-OG1 3.02Å
38N97.3Very high97.4Very high106 Ų10649 Ų4957%0.56729%0.289SS*.Hα-helixtrans-64.7-47.4179.5-69.3-18.3000111P34 Y36 A40 T41 S42P34-N38 VanDerWaalsContact O-CB 3.25Å; P34-N38 WeakPolarHBondContact O-CB 3.39Å; P34-N38 PolarHBondContact O-N 3.41Å; P34-N38 PolarHBondContact O-ND2 2.96Å; Y36-N38 PolarHBondContact O-N 3.12Å; N38-A40 PolarHBondContact O-N 3.5Å; N38-T41 PolarHBondContact O-N 3.06Å; N38-S42 WeakPolarHBondContact O-CB 3.34Å; N38-S42 PolarHBondContact O-N 2.68Å; N38-S42 PolarHBondContact O-OG 3.27Å
39L97Very high97.3Very high14 Ų1451.9 Ų51.97%0.07330%0.302CS..Hα-helixtrans-66.4-40.1-179.3-170.961.7000112.1L13 L28 A35 Y36 T41 S42 F43 F69 V96 V134L13-L39 HydrophobicContact CD1-CD1 4.06Å; L13-L39 HydrophobicContact CD1-CD2 4.06Å; L13-L39 HydrophobicContact CD1-CG 4.12Å; L28-L39 HydrophobicContact CD1-CD2 3.92Å; L28-L39 HydrophobicContact CD2-CB 4.39Å; L28-L39 HydrophobicContact CD2-CD2 3.8Å; A35-L39 WeakPolarHBondContact O-CB 3.49Å; A35-L39 PolarHBondContact O-N 2.7Å; A35-L39 VanDerWaalsContact O-N 3.14Å; Y36-L39 PolarHBondContact O-N 2.85Å; L39-T41 VanDerWaalsContact C-N 3.34Å; L39-S42 PolarHBondContact O-N 3.48Å; L39-F43 VanDerWaalsContact O-CB 3.24Å; L39-F43 WeakPolarHBondContact O-CB 3.45Å; L39-F43 PolarHBondContact O-N 3.28Å; L39-F69 HydrophobicContact CB-CE2 3.94Å; L39-F69 HydrophobicContact CB-CZ 3.98Å; L39-F69 HydrophobicContact CD2-CD1 4.19Å; L39-F69 HydrophobicContact CD2-CD2 4.18Å; L39-F69 HydrophobicContact CD2-CE1 4.02Å; L39-F69 HydrophobicContact CD2-CE2 3.96Å; L39-F69 HydrophobicContact CD2-CG 4.29Å; L39-F69 HydrophobicContact CD2-CZ 3.89Å; L39-F69 HydrophobicContact CG-CE1 4.01Å; L39-F69 HydrophobicContact CG-CE2 3.93Å; L39-F69 HydrophobicContact CG-CZ 3.59Å; L39-V96 HydrophobicContact CD2-CG1 4.1Å; L39-V134 HydrophobicContact CD1-CG1 3.5Å; L39-V134 VanDerWaalsContact CD1-CG1 3.5Å
40A98.4Very high97.3Very high12 Ų1247 Ų4710%0.09927%0.272CS..Hα-helixtrans-62.3-42.3174.800000111.6Y36 N38 F43 C44 V67 F69Y36-A40 HydrophobicContact CD1-CB 4.32Å; Y36-A40 HydrophobicContact CE1-CB 4.01Å; Y36-A40 WeakPolarHBondContact O-CB 3.49Å; Y36-A40 PolarHBondContact O-N 2.9Å; N38-A40 PolarHBondContact O-N 3.5Å; A40-F43 PolarHBondContact O-N 2.93Å; A40-C44 VanDerWaalsContact O-CB 3.32Å; A40-C44 WeakPolarHBondContact O-CB 3.43Å; A40-C44 PolarHBondContact O-N 3.37Å; A40-V67 HydrophobicContact CB-CB 4.29Å; A40-V67 HydrophobicContact CB-CG1 3.93Å; A40-V67 HydrophobicContact CB-CG2 4.4Å; A40-F69 HydrophobicContact CB-CE2 4.07Å; A40-F69 HydrophobicContact CB-CZ 4.2Å
41T97.9Very high97.3Very high79 Ų7942.9 Ų42.949%0.48525%0.25SC..Hα-helixtrans-63.6-47.3176.9-59.20000111.3I37 N38 L39 S45I37-T41 WeakPolarHBondContact O-CB 3.41Å; I37-T41 PolarHBondContact O-N 2.68Å; I37-T41 PolarHBondContact O-OG1 3.02Å; N38-T41 PolarHBondContact O-N 3.06Å; L39-T41 VanDerWaalsContact C-N 3.34Å; T41-S45 VanDerWaalsContact O-CB 3.24Å; T41-S45 WeakPolarHBondContact O-CB 3.27Å; T41-S45 PolarHBondContact O-N 3.42Å; T41-S45 PolarHBondContact O-OG 3.2Å
42S96.6Very high97.2Very high34 Ų3442.1 Ų42.124%0.23825%0.247CC..Hα-helixtrans-60.5-47.5176-78.20000112.2N38 L39 S45 L46 F132N38-S42 WeakPolarHBondContact O-CB 3.34Å; N38-S42 PolarHBondContact O-N 2.68Å; N38-S42 PolarHBondContact O-OG 3.27Å; L39-S42 PolarHBondContact O-N 3.48Å; S42-S45 PolarHBondContact O-N 2.98Å; S42-L46 WeakPolarHBondContact O-CB 3.47Å; S42-L46 PolarHBondContact O-N 3.16Å; S42-F132 WeakPolarHBondContact CB-O 3.21Å; S42-F132 PolarHBondContact OG-O 2.74Å
43F97.6Very high97.1Very high0 Ų040.7 Ų40.70%023%0.231CC..Hα-helixtrans-61.3-49.2178.9-179.4-132.5000111.7L13 L39 A40 L46 L47 V67 F69 A100 L136L13-F43 HydrophobicContact CD2-CD2 3.87Å; L13-F43 HydrophobicContact CD2-CE2 3.98Å; L39-F43 VanDerWaalsContact O-CB 3.24Å; L39-F43 WeakPolarHBondContact O-CB 3.45Å; L39-F43 PolarHBondContact O-N 3.28Å; A40-F43 PolarHBondContact O-N 2.93Å; F43-L46 PolarHBondContact O-N 3.38Å; F43-L47 HydrophobicContact CD1-CD1 4.48Å; F43-L47 HydrophobicContact CD2-CD1 4.32Å; F43-L47 HydrophobicContact CD2-CG 4.38Å; F43-L47 HydrophobicContact CE1-CD1 4.06Å; F43-L47 HydrophobicContact CE2-CD1 3.87Å; F43-L47 HydrophobicContact CE2-CD2 4.34Å; F43-L47 HydrophobicContact CE2-CG 4.12Å; F43-L47 HydrophobicContact CZ-CD1 3.74Å; F43-L47 HydrophobicContact CZ-CG 4.48Å; F43-L47 WeakPolarHBondContact O-CG 3.15Å; F43-L47 PolarHBondContact O-N 2.96Å; F43-L47 VanDerWaalsContact O-N 3.11Å; F43-V67 HydrophobicContact CD1-CG1 4.11Å; F43-F69 HydrophobicContact CB-CZ 4.48Å; F43-F69 HydrophobicContact CD1-CE1 4.21Å; F43-A100 HydrophobicContact CD1-CB 4.26Å; F43-A100 HydrophobicContact CE1-CB 3.63Å; F43-A100 HydrophobicContact CZ-CB 4.46Å; F43-L136 HydrophobicContact CD2-CD2 3.78Å; F43-L136 HydrophobicContact CE2-CD1 4.28Å; F43-L136 HydrophobicContact CE2-CD2 3.65Å
44C98.2Very high96.9Very high18 Ų1841 Ų4112%0.12224%0.237CC..Hα-helixtrans-65.9-39.7177.9-80.10000113A40 L46 L47 L48 C64 V67A40-C44 VanDerWaalsContact O-CB 3.32Å; A40-C44 WeakPolarHBondContact O-CB 3.43Å; A40-C44 PolarHBondContact O-N 3.37Å; C44-L46 VanDerWaalsContact C-N 3.32Å; C44-L46 PolarHBondContact O-N 3.03Å; C44-L47 PolarHBondContact O-N 3.25Å; C44-L48 WeakPolarHBondContact O-CB 3.3Å; C44-L48 WeakPolarHBondContact O-CG 3.49Å; C44-L48 PolarHBondContact O-N 3.33Å; C44-C64 WeakPolarHBondContact CA-SG 3.4Å; C44-C64 HydrophobicContact CB-CB 3.46Å; C44-C64 VanDerWaalsContact CB-CB 3.46Å; C44-C64 WeakPolarHBondContact CB-SG 3.24Å; C44-C64 WeakPolarHBondContact SG-CB 3.39Å; C44-C64 CovalentContact SG-SG 2.04Å; C44-C64 PolarHBondContact SG-SG 3.01Å; C44-V67 WeakPolarHBondContact SG-CG2 3.4Å
45S96.3Very high96.7Very high41 Ų4139.9 Ų39.929%0.28722%0.224SC..Hα-helixtrans-61.9-42.6177.2-61.40000111.1T41 S42 L48 Q49T41-S45 VanDerWaalsContact O-CB 3.24Å; T41-S45 WeakPolarHBondContact O-CB 3.27Å; T41-S45 PolarHBondContact O-N 3.42Å; T41-S45 PolarHBondContact O-OG 3.2Å; S42-S45 PolarHBondContact O-N 2.98Å; S45-L48 PolarHBondContact O-N 3.5Å; S45-Q49 WeakPolarHBondContact O-CB 3.44Å; S45-Q49 WeakPolarHBondContact O-CG 3.49Å; S45-Q49 PolarHBondContact O-N 3Å
46L96.2Very high96.5Very high6 Ų641.7 Ų41.73%0.03123%0.232CC..Hα-helixtrans-60.4-47.5175.8179.361000111.7S42 F43 C44 Q49 G50 I125 L128 F132 V134 L136S42-L46 WeakPolarHBondContact O-CB 3.47Å; S42-L46 PolarHBondContact O-N 3.16Å; F43-L46 PolarHBondContact O-N 3.38Å; C44-L46 VanDerWaalsContact C-N 3.32Å; C44-L46 PolarHBondContact O-N 3.03Å; L46-Q49 PolarHBondContact O-N 3.38Å; L46-G50 PolarHBondContact O-N 2.77Å; L46-I125 HydrophobicContact CD1-CD1 4.3Å; L46-I125 HydrophobicContact CD1-CG1 3.92Å; L46-I125 HydrophobicContact CD1-CG2 4.17Å; L46-I125 HydrophobicContact CD2-CD1 4.43Å; L46-I125 HydrophobicContact CG-CD1 4.02Å; L46-I125 HydrophobicContact CG-CG1 4.16Å; L46-L128 HydrophobicContact CD1-CD1 3.24Å; L46-F132 HydrophobicContact CB-CB 4.25Å; L46-F132 HydrophobicContact CB-CD2 4.21Å; L46-F132 HydrophobicContact CB-CG 4.28Å; L46-F132 HydrophobicContact CD1-CD2 3.78Å; L46-F132 HydrophobicContact CD1-CE2 4.38Å; L46-V134 HydrophobicContact CB-CG2 4.1Å; L46-V134 HydrophobicContact CD2-CG2 3.84Å; L46-V134 WeakPolarHBondContact CD2-O 3.46Å; L46-L136 HydrophobicContact CD2-CD1 4.1Å; L46-L136 HydrophobicContact CD2-CD2 3.86Å; L46-L136 HydrophobicContact CD2-CG 3.61Å
47L97.4Very high96.2Very high0 Ų044.1 Ų44.10%025%0.252CS..Hα-helixtrans-63.4-45.4179.8-68.5179.1000112.6V9 F43 C44 G50 L51 A100 V102 I121 L136V9-L47 HydrophobicContact CB-CD1 4.14Å; V9-L47 HydrophobicContact CG1-CD1 4.05Å; V9-L47 HydrophobicContact CG1-CD2 3.74Å; V9-L47 HydrophobicContact CG2-CD1 4.41Å; F43-L47 HydrophobicContact CD1-CD1 4.48Å; F43-L47 HydrophobicContact CD2-CD1 4.32Å; F43-L47 HydrophobicContact CD2-CG 4.38Å; F43-L47 HydrophobicContact CE1-CD1 4.06Å; F43-L47 HydrophobicContact CE2-CD1 3.87Å; F43-L47 HydrophobicContact CE2-CD2 4.34Å; F43-L47 HydrophobicContact CE2-CG 4.12Å; F43-L47 HydrophobicContact CZ-CD1 3.74Å; F43-L47 HydrophobicContact CZ-CG 4.48Å; F43-L47 WeakPolarHBondContact O-CG 3.15Å; F43-L47 PolarHBondContact O-N 2.96Å; F43-L47 VanDerWaalsContact O-N 3.11Å; C44-L47 PolarHBondContact O-N 3.25Å; L47-G50 PolarHBondContact O-N 3.09Å; L47-L51 WeakPolarHBondContact O-CB 3.37Å; L47-L51 PolarHBondContact O-N 3.09Å; L47-A100 HydrophobicContact CD1-CB 4.33Å; L47-V102 HydrophobicContact CB-CG2 4.4Å; L47-V102 HydrophobicContact CD1-CG2 4.17Å; L47-I121 HydrophobicContact CD2-CG2 4.06Å; L47-L136 HydrophobicContact CD2-CD1 3.63Å
48L97Very high95.7Very high48 Ų4840.9 Ų40.925%0.25124%0.235SC..Hα-helixtrans-69.9-35.3-179-67.4177.7000112C44 S45 L51 K52 A62 C64C44-L48 WeakPolarHBondContact O-CB 3.3Å; C44-L48 WeakPolarHBondContact O-CG 3.49Å; C44-L48 PolarHBondContact O-N 3.33Å; S45-L48 PolarHBondContact O-N 3.5Å; L48-L51 PolarHBondContact O-N 3.36Å; L48-K52 WeakPolarHBondContact O-CB 3.26Å; L48-K52 PolarHBondContact O-N 3.19Å; L48-A62 HydrophobicContact CD2-CB 3.75Å; L48-C64 HydrophobicContact CD1-CB 4.15Å; L48-C64 HydrophobicContact CD2-CB 4.29Å; L48-C64 HydrophobicContact CG-CB 4.09Å
49Q95.8Very high95.3Very high70 Ų7037.4 Ų37.433%0.32722%0.219SC..Hα-helixtrans-73.8-35.9175.5-69-78.892.100111.6S45 L46 K52 L53 L128 F132S45-Q49 WeakPolarHBondContact O-CB 3.44Å; S45-Q49 WeakPolarHBondContact O-CG 3.49Å; S45-Q49 PolarHBondContact O-N 3Å; L46-Q49 PolarHBondContact O-N 3.38Å; Q49-K52 PolarHBondContact O-N 3.24Å; Q49-L53 PolarHBondContact O-N 3.32Å; Q49-L128 HydrophobicContact CB-CD2 4.1Å; Q49-F132 HydrophobicContact CB-CE2 4.15Å; Q49-F132 HydrophobicContact CB-CZ 3.88Å; Q49-F132 HydrophobicContact CG-CE1 4.14Å; Q49-F132 HydrophobicContact CG-CE2 4.37Å; Q49-F132 HydrophobicContact CG-CZ 3.6Å
50G95.9Very high94.8Very high0 Ų044.5 Ų44.50%025%0.251CS..Hα-helixtrans-57.5-49.3167.300000111.7L46 L47 K52 L53 G54 G124L46-G50 PolarHBondContact O-N 2.77Å; L47-G50 PolarHBondContact O-N 3.09Å; G50-K52 VanDerWaalsContact C-N 3.33Å; G50-K52 PolarHBondContact O-N 3.37Å; G50-L53 PolarHBondContact O-N 3.13Å; G50-G54 PolarHBondContact O-N 2.91Å; G50-G124 WeakPolarHBondContact O-CA 3.35Å
51L96.1Very high94.3Very high1 Ų148.5 Ų48.51%0.00527%0.271CS..Hα-helixtrans-58.9-44.4174.9-178.364.8000112L47 L48 L53 G54 Q55 F58 A62 V102 I104 I120 I121L47-L51 WeakPolarHBondContact O-CB 3.37Å; L47-L51 PolarHBondContact O-N 3.09Å; L48-L51 PolarHBondContact O-N 3.36Å; L51-L53 PolarHBondContact O-N 3.25Å; L51-G54 PolarHBondContact O-N 2.84Å; L51-Q55 CarbonylContact O-C 3.52Å; L51-Q55 PolarHBondContact O-N 2.91Å; L51-Q55 VanDerWaalsContact O-O 3.12Å; L51-F58 HydrophobicContact CD1-CB 3.88Å; L51-F58 HydrophobicContact CD1-CD2 4.41Å; L51-F58 HydrophobicContact CD2-CB 4.38Å; L51-F58 HydrophobicContact CG-CB 4.21Å; L51-A62 HydrophobicContact CD2-CB 3.43Å; L51-A62 VanDerWaalsContact CD2-CB 3.43Å; L51-V102 HydrophobicContact CD2-CG1 4.2Å; L51-I104 HydrophobicContact CD1-CD1 3.95Å; L51-I104 HydrophobicContact CD2-CD1 4.11Å; L51-I104 HydrophobicContact CD2-CG1 4Å; L51-I120 HydrophobicContact CD1-CG2 3.79Å; L51-I121 HydrophobicContact CB-CG1 4.2Å; L51-I121 HydrophobicContact CD1-CG1 4.31Å
52K95.9Very high94.1Very high102 Ų10245.5 Ų45.544%0.44326%0.255SS..Hα-helixtrans-61.7-42.2179.1-177.3-179.6-179.4-179.30113.1L48 Q49 G50 P56L48-K52 WeakPolarHBondContact O-CB 3.26Å; L48-K52 PolarHBondContact O-N 3.19Å; Q49-K52 PolarHBondContact O-N 3.24Å; G50-K52 VanDerWaalsContact C-N 3.33Å; G50-K52 PolarHBondContact O-N 3.37Å; K52-P56 WeakPolarHBondContact O-CA 3.36Å; K52-P56 WeakPolarHBondContact O-CD 3.42Å; K52-P56 VanDerWaalsContact O-CG 3.22Å; K52-P56 WeakPolarHBondContact O-CG 3.49Å
53L95.9Very high94.1Very high70 Ų7049.7 Ų49.737%0.36627%0.268SS..Hα-helixtrans-78.2-35.4179.5-69.8-179.4000112.5Q49 G50 L51 Q127 L128Q49-L53 PolarHBondContact O-N 3.32Å; G50-L53 PolarHBondContact O-N 3.13Å; L51-L53 PolarHBondContact O-N 3.25Å; L53-Q127 HydrophobicContact CD1-CB 4.14Å; L53-L128 HydrophobicContact CD1-CD2 3.46Å; L53-L128 VanDerWaalsContact CD1-CD2 3.46Å; L53-L128 HydrophobicContact CD1-CG 3.98Å
54G95Very high94.1Very high23 Ų2350.7 Ų50.724%0.23728%0.275CS..Hα-helixtrans-73.4-39.417800000113.3G50 L51 I120G50-G54 PolarHBondContact O-N 2.91Å; L51-G54 PolarHBondContact O-N 2.84Å; G54-I120 WeakPolarHBondContact CA-O 3.32Å
55Q93.2Very high94.1Very high72 Ų7252.3 Ų52.334%0.33628%0.282SS..  trans-151.990.5175.8-175.459-68.200111.3L51 S57 F58 I120L51-Q55 CarbonylContact O-C 3.52Å; L51-Q55 PolarHBondContact O-N 2.91Å; L51-Q55 VanDerWaalsContact O-O 3.12Å; Q55-S57 WeakPolarHBondContact CG-OG 3.31Å; Q55-S57 PolarHBondContact O-N 3.34Å; Q55-S57 VanDerWaalsContact O-N 3.13Å; Q55-S57 PolarHBondContact OE1-OG 3.04Å; Q55-F58 HydrophobicContact CB-CD2 3.74Å; Q55-F58 HydrophobicContact CB-CE2 4.16Å; Q55-F58 HydrophobicContact CB-CG 4.26Å; Q55-F58 HydrophobicContact CG-CB 4.29Å; Q55-F58 HydrophobicContact CG-CD1 4.1Å; Q55-F58 HydrophobicContact CG-CD2 3.34Å; Q55-F58 HydrophobicContact CG-CE1 4.21Å; Q55-F58 HydrophobicContact CG-CE2 3.49Å; Q55-F58 VanDerWaalsContact CG-CE2 3.49Å; Q55-F58 HydrophobicContact CG-CG 3.66Å; Q55-F58 HydrophobicContact CG-CZ 3.94Å; Q55-F58 PolarHBondContact O-N 2.94Å; Q55-I120 HydrophobicContact CB-CD1 4.27Å; Q55-I120 HydrophobicContact CB-CG1 4.36Å; Q55-I120 HydrophobicContact CB-CG2 3.69Å
56P92.9Very high94.1Very high79 Ų7955.3 Ų55.351%0.51330%0.295SS..Hα-helixtrans-54-36.7-175.1-26.631.1000114.5K52 F58 S59K52-P56 WeakPolarHBondContact O-CA 3.36Å; K52-P56 WeakPolarHBondContact O-CD 3.42Å; K52-P56 VanDerWaalsContact O-CG 3.22Å; K52-P56 WeakPolarHBondContact O-CG 3.49Å; P56-F58 PolarHBondContact O-N 2.79Å; P56-S59 WeakPolarHBondContact O-CB 3.43Å; P56-S59 PolarHBondContact O-N 2.88Å; P56-S59 PolarHBondContact O-OG 2.86Å
57S90.4Very high94.2Very high70 Ų7055.6 Ų55.649%0.4930%0.297SS..Hα-helixtrans-61.6-25.5-179.955.40000113.5Q55Q55-S57 WeakPolarHBondContact CG-OG 3.31Å; Q55-S57 PolarHBondContact O-N 3.34Å; Q55-S57 VanDerWaalsContact O-N 3.13Å; Q55-S57 PolarHBondContact OE1-OG 3.04Å
58F89.8Confident94.3Very high14 Ų1459.9 Ų59.96%0.06132%0.319CS..Hα-helixtrans-84.7-15.3177.9-64.3-14.7000113.2L51 Q55 P56 I104 E108 L112 I120L51-F58 HydrophobicContact CD1-CB 3.88Å; L51-F58 HydrophobicContact CD1-CD2 4.41Å; L51-F58 HydrophobicContact CD2-CB 4.38Å; L51-F58 HydrophobicContact CG-CB 4.21Å; Q55-F58 HydrophobicContact CB-CD2 3.74Å; Q55-F58 HydrophobicContact CB-CE2 4.16Å; Q55-F58 HydrophobicContact CB-CG 4.26Å; Q55-F58 HydrophobicContact CG-CB 4.29Å; Q55-F58 HydrophobicContact CG-CD1 4.1Å; Q55-F58 HydrophobicContact CG-CD2 3.34Å; Q55-F58 HydrophobicContact CG-CE1 4.21Å; Q55-F58 HydrophobicContact CG-CE2 3.49Å; Q55-F58 VanDerWaalsContact CG-CE2 3.49Å; Q55-F58 HydrophobicContact CG-CG 3.66Å; Q55-F58 HydrophobicContact CG-CZ 3.94Å; Q55-F58 PolarHBondContact O-N 2.94Å; P56-F58 PolarHBondContact O-N 2.79Å; F58-I104 HydrophobicContact CB-CG2 3.69Å; F58-I104 HydrophobicContact CD1-CG2 4.34Å; F58-I104 HydrophobicContact CG-CG2 4.03Å; F58-E108 HydrophobicContact CE1-CB 3.89Å; F58-E108 HydrophobicContact CZ-CB 4.3Å; F58-L112 HydrophobicContact CD2-CD1 3.75Å; F58-L112 HydrophobicContact CE2-CD1 3.24Å; F58-L112 HydrophobicContact CE2-CD2 3.9Å; F58-L112 HydrophobicContact CE2-CG 4.09Å; F58-L112 HydrophobicContact CZ-CD1 3.76Å; F58-L112 HydrophobicContact CZ-CD2 4.14Å; F58-L112 HydrophobicContact CZ-CG 4.29Å; F58-I120 HydrophobicContact CD2-CD1 4.13Å; F58-I120 HydrophobicContact CE2-CD1 3.81Å
59S89Confident94.4Very high32 Ų3257.8 Ų57.822%0.22431%0.308CS..Hα-helixtrans-82-20.7-174.470.60000114.7P56 N61 A62P56-S59 WeakPolarHBondContact O-CB 3.43Å; P56-S59 PolarHBondContact O-N 2.88Å; P56-S59 PolarHBondContact O-OG 2.86Å; S59-N61 PolarHBondContact O-N 2.85Å; S59-A62 PolarHBondContact O-N 2.96Å; S59-A62 VanDerWaalsContact O-N 3.13Å
60Q85.1Confident94.4Very high163 Ų16356.5 Ų56.576%0.76231%0.305SS*.THydrogen-bonded Turntrans-59.5-22.8-164.8-165.2169.529.100114.2
61N87.5Confident94.5Very high96 Ų9659.1 Ų59.151%0.51332%0.322SS..THydrogen-bonded Turntrans-144.127.5174.9-68.1-63.8000111.5S59S59-N61 PolarHBondContact O-N 2.85Å
62A94.2Very high94.4Very high17 Ų1760.7 Ų60.714%0.1433%0.332CS..  trans-72.6140.5-179.900000110.8L48 L51 S59 E103L48-A62 HydrophobicContact CD2-CB 3.75Å; L51-A62 HydrophobicContact CD2-CB 3.43Å; L51-A62 VanDerWaalsContact CD2-CB 3.43Å; S59-A62 PolarHBondContact O-N 2.96Å; S59-A62 VanDerWaalsContact O-N 3.13Å; A62-E103 CarbonylContact C-O 3.5Å; A62-E103 WeakPolarHBondContact CA-O 3.21Å
63K96.8Very high94.2Very high121 Ų12160.4 Ų60.453%0.52634%0.335SS..EExtended strand (participates in β ladder)trans-123.8141.9177.4-60.1-179.8-178.8175.40110.2I65 V102 E103K63-I65 HydrophobicContact CB-CG2 4.03Å; K63-V102 CarbonylContact O-C 3.51Å; K63-V102 VanDerWaalsContact O-CA 3.3Å; K63-V102 WeakPolarHBondContact O-CA 3.39Å; K63-E103 HydrophobicContact CB-CB 4.32Å; K63-E103 PolarHBondContact N-O 3.2Å; K63-E103 PolarHBondContact O-N 3.46Å
64C98.3Very high93.7Very high22 Ų2258.2 Ų58.215%0.14932%0.324CS..EExtended strand (participates in β ladder)trans-108.7113.7167.9174.70000107.7C44 L48 N101C44-C64 WeakPolarHBondContact CA-SG 3.4Å; C44-C64 HydrophobicContact CB-CB 3.46Å; C44-C64 VanDerWaalsContact CB-CB 3.46Å; C44-C64 WeakPolarHBondContact CB-SG 3.24Å; C44-C64 WeakPolarHBondContact SG-CB 3.39Å; C44-C64 CovalentContact SG-SG 2.04Å; C44-C64 PolarHBondContact SG-SG 3.01Å; L48-C64 HydrophobicContact CD1-CB 4.15Å; L48-C64 HydrophobicContact CD2-CB 4.29Å; L48-C64 HydrophobicContact CG-CB 4.09Å; C64-N101 WeakPolarHBondContact CA-O 3.35Å
65I97.4Very high92.8Very high52 Ų5261.9 Ų61.927%0.26734%0.337SS..EExtended strand (participates in β ladder)trans-131.8173.7-173.266.3171.5000110.6K63 V67 N101 E103K63-I65 HydrophobicContact CB-CG2 4.03Å; I65-V67 PolarHBondContact O-N 3.32Å; I65-N101 HydrophobicContact CG1-CB 3.92Å; I65-N101 PolarHBondContact N-O 3.11Å; I65-N101 PolarHBondContact O-N 3.31Å; I65-E103 VanDerWaalsContact CD1-CD 3.48Å; I65-E103 HydrophobicContact CD1-CG 4.03Å; I65-E103 VanDerWaalsContact CD1-OE1 3.24Å; I65-E103 WeakPolarHBondContact CD1-OE1 3.37Å; I65-E103 HydrophobicContact CG1-CG 4.43Å
66N96.8Very high91.3Very high103 Ų10360.7 Ų60.755%0.55134%0.336SS*.EExtended strand (participates in β ladder)trans52.738.8175.9-60.4-21000113.6L68 N101N66-L68 PolarHBondContact O-N 2.87Å; N66-N101 HydrophobicContact CB-CB 4.49Å; N66-N101 PolarHBondContact ND2-ND2 3.49Å; N66-N101 VanDerWaalsContact ND2-ND2 3.2Å
67V98.5Very high89.3Confident13 Ų1368 Ų688%0.07935%0.354CS..EExtended strand (participates in β ladder)trans-59.9136.6175-173.80000109.4Y36 A40 F43 C44 I65 F69 T99 A100Y36-V67 PolarHBondContact OH-O 3.4Å; A40-V67 HydrophobicContact CB-CB 4.29Å; A40-V67 HydrophobicContact CB-CG1 3.93Å; A40-V67 HydrophobicContact CB-CG2 4.4Å; F43-V67 HydrophobicContact CD1-CG1 4.11Å; C44-V67 WeakPolarHBondContact SG-CG2 3.4Å; I65-V67 PolarHBondContact O-N 3.32Å; V67-F69 HydrophobicContact CG1-CE1 3.99Å; V67-F69 HydrophobicContact CG1-CE2 3.95Å; V67-F69 HydrophobicContact CG1-CZ 3.59Å; V67-T99 CarbonylContact C-O 3.56Å; V67-T99 VanDerWaalsContact CA-O 3.26Å; V67-T99 WeakPolarHBondContact CA-O 3.32Å; V67-A100 HydrophobicContact CG2-CB 4.05Å
68L98.4Very high87.1Confident89 Ų8971.5 Ų71.547%0.46636%0.362SS..EExtended strand (participates in β ladder)trans-142.6134.3173.6176.765.8000108.5N66 T70 T99N66-L68 PolarHBondContact O-N 2.87Å; L68-T70 HydrophobicContact CD2-CG2 4.19Å; L68-T70 HydrophobicContact CG-CG2 4.21Å; L68-T99 PolarHBondContact N-O 2.94Å; L68-T99 PolarHBondContact O-N 3.3Å
69F98.5Very high84.8Confident5 Ų579 Ų792%0.02240%0.395CS..EExtended strand (participates in β ladder)trans-107.9139.2170.7-61-56.6000109.6L13 W24 L28 Y36 L39 A40 F43 V67 V96 Q97L13-F69 HydrophobicContact CD1-CD1 4.05Å; L13-F69 HydrophobicContact CD1-CE1 3.69Å; W24-F69 HydrophobicContact CZ3-CB 3.96Å; L28-F69 HydrophobicContact CB-CB 4.1Å; L28-F69 HydrophobicContact CB-CD2 4.38Å; L28-F69 HydrophobicContact CD2-CD2 4.23Å; Y36-F69 AromaticContact CD2-CD2 3.67Å; Y36-F69 HydrophobicContact CD2-CD2 3.67Å; Y36-F69 AromaticContact CD2-CE2 4Å; Y36-F69 HydrophobicContact CD2-CE2 4Å; Y36-F69 AromaticContact CE2-CD2 3.76Å; Y36-F69 HydrophobicContact CE2-CD2 3.76Å; Y36-F69 HydrophobicContact CE2-CE2 4.05Å; L39-F69 HydrophobicContact CB-CE2 3.94Å; L39-F69 HydrophobicContact CB-CZ 3.98Å; L39-F69 HydrophobicContact CD2-CD1 4.19Å; L39-F69 HydrophobicContact CD2-CD2 4.18Å; L39-F69 HydrophobicContact CD2-CE1 4.02Å; L39-F69 HydrophobicContact CD2-CE2 3.96Å; L39-F69 HydrophobicContact CD2-CG 4.29Å; L39-F69 HydrophobicContact CD2-CZ 3.89Å; L39-F69 HydrophobicContact CG-CE1 4.01Å; L39-F69 HydrophobicContact CG-CE2 3.93Å; L39-F69 HydrophobicContact CG-CZ 3.59Å; A40-F69 HydrophobicContact CB-CE2 4.07Å; A40-F69 HydrophobicContact CB-CZ 4.2Å; F43-F69 HydrophobicContact CB-CZ 4.48Å; F43-F69 HydrophobicContact CD1-CE1 4.21Å; V67-F69 HydrophobicContact CG1-CE1 3.99Å; V67-F69 HydrophobicContact CG1-CE2 3.95Å; V67-F69 HydrophobicContact CG1-CZ 3.59Å; F69-V96 HydrophobicContact CB-CG1 3.93Å; F69-V96 HydrophobicContact CD1-CG1 3.67Å; F69-V96 HydrophobicContact CG-CG1 4.02Å; F69-Q97 WeakPolarHBondContact CA-O 3.14Å
70T97.8Very high82.5Confident42 Ų4289.5 Ų89.526%0.25843%0.43SS..EExtended strand (participates in β ladder)trans-134.6147.7176.848.70000109.5L68 Q97L68-T70 HydrophobicContact CD2-CG2 4.19Å; L68-T70 HydrophobicContact CG-CG2 4.21Å; T70-Q97 PolarHBondContact N-O 2.78Å; T70-Q97 PolarHBondContact O-N 2.88Å; T70-Q97 PolarHBondContact OG1-NE2 2.87Å; T70-Q97 PolarHBondContact OG1-O 2.83Å
71P96.9Very high80.5Confident56 Ų5689.1 Ų89.136%0.36443%0.428SS..EExtended strand (participates in β ladder)trans-65.6144.9171.827.6-31.7000109.5W24 G95W24-P71 HydrophobicContact CB-CB 4.26Å; W24-P71 HydrophobicContact CD2-CB 3.68Å; W24-P71 HydrophobicContact CD2-CG 4.23Å; W24-P71 HydrophobicContact CE3-CB 4.1Å; W24-P71 HydrophobicContact CG-CB 3.72Å; W24-P71 HydrophobicContact CZ2-CG 4.37Å; P71-G95 WeakPolarHBondContact CA-O 3.3Å
72V94.5Very high78.4Confident34 Ų3492.1 Ų92.121%0.20644%0.442CS..EExtended strand (participates in β ladder)trans-134132.2169.260.90000109.2V12 L74 G95 Q97V12-V72 HydrophobicContact CG1-CG1 4.11Å; V12-V72 HydrophobicContact CG2-CG1 4.31Å; V72-L74 HydrophobicContact CG1-CD2 4.1Å; V72-L74 PolarHBondContact O-N 3.36Å; V72-G95 PolarHBondContact N-O 3.29Å; V72-G95 PolarHBondContact O-N 3.43Å; V72-Q97 HydrophobicContact CB-CB 4.18Å; V72-Q97 HydrophobicContact CG1-CB 4.05Å
73D91.5Very high76.2Confident96 Ų9698.8 Ų98.851%0.51347%0.47SS..EExtended strand (participates in β ladder)trans-72.2119178-67.6-19.8000109.8I92 Q94D73-I92 HydrophobicContact CB-CG2 3.7Å; D73-Q94 PolarHBondContact OD1-NE2 2.89Å
74L85.8Confident73.7Confident24 Ų2498.4 Ų98.413%0.12648%0.479CS..EExtended strand (participates in β ladder)trans-100.7107.7175.5-57.9179.8000108.4V12 P21 V72 S76 T93V12-L74 HydrophobicContact CG1-CD2 4.05Å; P21-L74 HydrophobicContact CB-CD1 3.19Å; P21-L74 HydrophobicContact CG-CD1 3.59Å; V72-L74 HydrophobicContact CG1-CD2 4.1Å; V72-L74 PolarHBondContact O-N 3.36Å; L74-S76 PolarHBondContact O-N 2.85Å; L74-S76 VanDerWaalsContact O-N 3.11Å; L74-T93 WeakPolarHBondContact CB-O 3.01Å; L74-T93 PolarHBondContact N-O 3.42Å; L74-T93 PolarHBondContact O-N 3.28Å
75I74.8Confident71.2Confident99 Ų99104.2 Ų104.251%0.50851%0.513SS..EExtended strand (participates in β ladder)trans-78.2102174.5-56174.4000107.3R77 Q90I75-R77 VanDerWaalsContact C-N 3.34Å; I75-R77 PolarHBondContact O-N 3.13Å; I75-Q90 HydrophobicContact CG2-CB 4.49Å
76S62.7Low68.9Low47 Ų47109.7 Ų109.733%0.32954%0.538SS..  trans-65.398.7167.2-168.80000107.6L74 Q78L74-S76 PolarHBondContact O-N 2.85Å; L74-S76 VanDerWaalsContact O-N 3.11Å; S76-Q78 PolarHBondContact O-N 3.21Å
77R50.1Low66.6Low234 Ų234108.6 Ų108.688%0.88354%0.539SS*.  trans-70.560.9164.7-61-169.1-163.5-174.15.6108.1I75 K79I75-R77 VanDerWaalsContact C-N 3.34Å; I75-R77 PolarHBondContact O-N 3.13Å; R77-K79 PolarHBondContact O-N 2.94Å
78Q45.9Very low64.3Low142 Ų142114.7 Ų114.766%0.66457%0.57SS**  trans-58.5110.7164.7-91.9-178.79.600106.3S76S76-Q78 PolarHBondContact O-N 3.21Å
79K41.6Very low62Low172 Ų172116.6 Ų116.675%0.74858%0.58SS**  trans21.7124155.9-65.9175.3178.9176.40113.6R77 Q81R77-K79 PolarHBondContact O-N 2.94Å; K79-Q81 PolarHBondContact O-N 3.2Å
80R40.7Very low59.9Low253 Ų253120.1 Ų120.196%0.95560%0.597SS**  trans-50.478.1152-70.1177.2175.3179.1-2.4109.3
81Q42.2Very low58.3Low155 Ų155123 Ų12372%0.72461%0.611SS**  trans-102.2111.4157.6-88.9-170-11.400104.2K79 Q83K79-Q81 PolarHBondContact O-N 3.2Å; Q81-Q83 VanDerWaalsContact C-N 3.28Å; Q81-Q83 PolarHBondContact O-N 3.48Å
82I43.9Very low57.3Low158 Ų158124.9 Ų124.981%0.8162%0.617SS**  trans-61.891.6179.5-59.5160.8000106.2
83Q46.6Very low56.9Low157 Ų157125.8 Ų125.873%0.73462%0.622SS**  trans-123.987.1158.3-74.3-168.46.400107.1Q81Q81-Q83 VanDerWaalsContact C-N 3.28Å; Q81-Q83 PolarHBondContact O-N 3.48Å
84T44.8Very low56.9Low114 Ų114125.7 Ų125.770%0.69962%0.619SS**THydrogen-bonded Turntrans-24.8129.4155.435.30000112.9
85T46.9Very low57.2Low143 Ų143124.5 Ų124.588%0.87761%0.613SS**THydrogen-bonded Turntrans86.90.1158.766.90000120.9
86Q47.1Very low58.3Low167 Ų167119.8 Ų119.878%0.7859%0.589SS**SBendtrans-101.8133170.1-68.4-179.10.400109.8
87S49.1Very low60Low81 Ų81119 Ų11957%0.56658%0.58SS**  trans-41.9146.6-174.238.60000111.4D89S87-D89 VanDerWaalsContact CB-OD2 3.32Å; S87-D89 WeakPolarHBondContact CB-OD2 3.49Å; S87-D89 PolarHBondContact O-N 3.3Å; S87-D89 VanDerWaalsContact OG-CG 3.31Å; S87-D89 PolarHBondContact OG-OD2 3.12Å
88L50.4Low62.3Low140 Ų140107.9 Ų107.973%0.73354%0.538SS*.  trans-64.136.5164.7-156.281.6000110.8Q90L88-Q90 HydrophobicContact CD1-CG 4.13Å; L88-Q90 HydrophobicContact CG-CG 3.88Å; L88-Q90 PolarHBondContact O-N 2.93Å
89D50.3Low64.8Low129 Ų129102 Ų10269%0.6951%0.512SS*.  trans-71.759.9159.7-62.3-31000106.3S87 N91S87-D89 VanDerWaalsContact CB-OD2 3.32Å; S87-D89 WeakPolarHBondContact CB-OD2 3.49Å; S87-D89 PolarHBondContact O-N 3.3Å; S87-D89 VanDerWaalsContact OG-CG 3.31Å; S87-D89 PolarHBondContact OG-OD2 3.12Å; D89-N91 PolarHBondContact O-N 3.28Å
90Q54.4Low67.5Low80 Ų8093.9 Ų93.937%0.37448%0.476SS..  trans-47.7129164.2-72.8179.3-13.600105.4I75 L88 I92I75-Q90 HydrophobicContact CG2-CB 4.49Å; L88-Q90 HydrophobicContact CD1-CG 4.13Å; L88-Q90 HydrophobicContact CG-CG 3.88Å; L88-Q90 PolarHBondContact O-N 2.93Å; Q90-I92 PolarHBondContact O-N 2.76Å
91N63.7Low70.2Confident103 Ų10382.8 Ų82.855%0.55144%0.436SS*.  trans-58.983.9176.2-70.1-42.8000108.8D89 T93D89-N91 PolarHBondContact O-N 3.28Å; N91-T93 PolarHBondContact O-N 3.47Å
92I75.4Confident72.8Confident95 Ų9575.4 Ų75.449%0.48740%0.401SS..EExtended strand (participates in β ladder)trans-74.9113.4171.2-64.7171.2000104.6D73 Q90D73-I92 HydrophobicContact CB-CG2 3.7Å; Q90-I92 PolarHBondContact O-N 2.76Å
93T87Confident75.2Confident52 Ų5270 Ų7032%0.31937%0.373SS..EExtended strand (participates in β ladder)trans-103.2141.9169.455.80000108.4Y23 L74 N91 G95Y23-T93 HydrophobicContact CE1-CG2 4.36Å; L74-T93 WeakPolarHBondContact CB-O 3.01Å; L74-T93 PolarHBondContact N-O 3.42Å; L74-T93 PolarHBondContact O-N 3.28Å; N91-T93 PolarHBondContact O-N 3.47Å; T93-G95 PolarHBondContact O-N 2.84Å
94Q90.7Very high77.5Confident94 Ų9462.6 Ų62.644%0.43934%0.338SS..EExtended strand (participates in β ladder)trans-85113.9175.2-64.8-163.5-52.700109.3Y23 W24 D73Y23-Q94 WeakPolarHBondContact CA-O 3.45Å; W24-Q94 HydrophobicContact CB-CB 3.77Å; W24-Q94 PolarHBondContact N-O 2.83Å; D73-Q94 PolarHBondContact OD1-NE2 2.89Å
95G93.8Very high79.6Confident0 Ų058.6 Ų58.60%032%0.315CS..EExtended strand (participates in β ladder)trans-87.7178.9169.500000112.1H22 P71 V72 T93H22-G95 CarbonylContact O-C 3.38Å; H22-G95 WeakPolarHBondContact O-CA 3.33Å; P71-G95 WeakPolarHBondContact CA-O 3.3Å; V72-G95 PolarHBondContact N-O 3.29Å; V72-G95 PolarHBondContact O-N 3.43Å; T93-G95 PolarHBondContact O-N 2.84Å
96V97.2Very high81.4Confident0 Ų052.1 Ų52.10%028%0.276CS..EExtended strand (participates in β ladder)trans-103.8129.6173.9-178.10000110.5L13 H22 W24 L28 L39 F69L13-V96 HydrophobicContact CB-CB 4.43Å; L13-V96 HydrophobicContact CD1-CB 4.4Å; L13-V96 HydrophobicContact CD1-CG1 3.82Å; L13-V96 HydrophobicContact CG-CG1 4.31Å; L13-V96 PolarHBondContact N-O 3.24Å; H22-V96 HydrophobicContact CB-CB 4.09Å; H22-V96 HydrophobicContact CB-CG2 3.99Å; H22-V96 WeakPolarHBondContact O-CG2 3.45Å; H22-V96 PolarHBondContact O-N 2.76Å; W24-V96 HydrophobicContact CE3-CG2 4.24Å; L28-V96 HydrophobicContact CD1-CB 4.49Å; L28-V96 HydrophobicContact CD1-CG1 4.13Å; L28-V96 HydrophobicContact CD1-CG2 3.48Å; L28-V96 VanDerWaalsContact CD1-CG2 3.48Å; L39-V96 HydrophobicContact CD2-CG1 4.1Å; F69-V96 HydrophobicContact CB-CG1 3.93Å; F69-V96 HydrophobicContact CD1-CG1 3.67Å; F69-V96 HydrophobicContact CG-CG1 4.02Å
97Q97.7Very high83Confident30 Ų3048 Ų4814%0.1426%0.263CS..EExtended strand (participates in β ladder)trans-106.2119.1164.6-177.6-176.9-9700109.7K10 A11 F69 T70 V72K10-Q97 HydrophobicContact CG-CG 4.01Å; K10-Q97 VanDerWaalsContact NZ-CD 3.31Å; K10-Q97 VanDerWaalsContact NZ-OE1 3.11Å; A11-Q97 CarbonylContact O-C 3.55Å; A11-Q97 WeakPolarHBondContact O-CA 3.43Å; F69-Q97 WeakPolarHBondContact CA-O 3.14Å; T70-Q97 PolarHBondContact N-O 2.78Å; T70-Q97 PolarHBondContact O-N 2.88Å; T70-Q97 PolarHBondContact OG1-NE2 2.87Å; T70-Q97 PolarHBondContact OG1-O 2.83Å; V72-Q97 HydrophobicContact CB-CB 4.18Å; V72-Q97 HydrophobicContact CG1-CB 4.05Å
98G98.3Very high84.7Confident0 Ų049.4 Ų49.40%026%0.261CS..EExtended strand (participates in β ladder)trans-89.5134.4173.800000111.4K10 A11K10-G98 VanDerWaalsContact CA-O 3.32Å; K10-G98 WeakPolarHBondContact CA-O 3.21Å; A11-G98 PolarHBondContact N-O 3.2Å; A11-G98 PolarHBondContact O-N 3.11Å
99T98.5Very high86.2Confident20 Ų2042.8 Ų42.812%0.12323%0.226CC..EExtended strand (participates in β ladder)trans-122.7137.5167.5-54.90000108.6Q8 V9 V67 L68Q8-T99 HydrophobicContact CG-CG2 3.71Å; V9-T99 CarbonylContact O-C 3.57Å; V9-T99 VanDerWaalsContact O-CA 3.22Å; V9-T99 WeakPolarHBondContact O-CA 3.22Å; V67-T99 CarbonylContact C-O 3.56Å; V67-T99 VanDerWaalsContact CA-O 3.26Å; V67-T99 WeakPolarHBondContact CA-O 3.32Å; L68-T99 PolarHBondContact N-O 2.94Å; L68-T99 PolarHBondContact O-N 3.3Å
100A98.5Very high87.5Confident0 Ų037.9 Ų37.90%020%0.204CC..EExtended strand (participates in β ladder)trans-149.7161.6173.700000110.2Q8 V9 F43 L47 V67Q8-A100 CarbonylContact C-O 3.55Å; Q8-A100 WeakPolarHBondContact CA-O 3.26Å; V9-A100 PolarHBondContact N-O 3.5Å; V9-A100 PolarHBondContact O-N 2.73Å; F43-A100 HydrophobicContact CD1-CB 4.26Å; F43-A100 HydrophobicContact CE1-CB 3.63Å; F43-A100 HydrophobicContact CZ-CB 4.46Å; L47-A100 HydrophobicContact CD1-CB 4.33Å; V67-A100 HydrophobicContact CG2-CB 4.05Å
101N97.5Very high88.9Confident20 Ų2040.1 Ų40.111%0.10722%0.223CC..EExtended strand (participates in β ladder)trans-102.4124.8169.8-67.6-9.1000109T6 F7 C64 I65 N66T6-N101 HydrophobicContact CG2-CB 3.81Å; F7-N101 CarbonylContact O-C 3.54Å; F7-N101 WeakPolarHBondContact O-CA 3.34Å; C64-N101 WeakPolarHBondContact CA-O 3.35Å; I65-N101 HydrophobicContact CG1-CB 3.92Å; I65-N101 PolarHBondContact N-O 3.11Å; I65-N101 PolarHBondContact O-N 3.31Å; N66-N101 HydrophobicContact CB-CB 4.49Å; N66-N101 PolarHBondContact ND2-ND2 3.49Å; N66-N101 VanDerWaalsContact ND2-ND2 3.2Å
102V97.2Very high90.1Very high0 Ų036.4 Ų36.40%020%0.203CC..EExtended strand (participates in β ladder)trans-97.1114.7169.7178.40000108.4T6 F7 V9 L47 L51 K63 I104T6-V102 WeakPolarHBondContact CA-O 3.36Å; F7-V102 PolarHBondContact N-O 3.07Å; F7-V102 PolarHBondContact O-N 2.9Å; V9-V102 HydrophobicContact CG2-CB 4.37Å; V9-V102 HydrophobicContact CG2-CG2 3.7Å; L47-V102 HydrophobicContact CB-CG2 4.4Å; L47-V102 HydrophobicContact CD1-CG2 4.17Å; L51-V102 HydrophobicContact CD2-CG1 4.2Å; K63-V102 CarbonylContact O-C 3.51Å; K63-V102 VanDerWaalsContact O-CA 3.3Å; K63-V102 WeakPolarHBondContact O-CA 3.39Å; V102-I104 HydrophobicContact CG1-CG1 4.13Å
103E95.1Very high90.8Very high46 Ų4635.6 Ų35.622%0.21520%0.199CC..EExtended strand (participates in β ladder)trans-94.5127.1173.5-67-172.3156.700109.6V4 S5 T6 A62 K63 I65V4-E103 HydrophobicContact CG1-CB 3.78Å; V4-E103 HydrophobicContact CG1-CG 4.08Å; S5-E103 WeakPolarHBondContact O-CA 3.04Å; T6-E103 HydrophobicContact CG2-CG 3.99Å; A62-E103 CarbonylContact C-O 3.5Å; A62-E103 WeakPolarHBondContact CA-O 3.21Å; K63-E103 HydrophobicContact CB-CB 4.32Å; K63-E103 PolarHBondContact N-O 3.2Å; K63-E103 PolarHBondContact O-N 3.46Å; I65-E103 VanDerWaalsContact CD1-CD 3.48Å; I65-E103 HydrophobicContact CD1-CG 4.03Å; I65-E103 VanDerWaalsContact CD1-OE1 3.24Å; I65-E103 WeakPolarHBondContact CD1-OE1 3.37Å; I65-E103 HydrophobicContact CG1-CG 4.43Å
104I93.3Very high91Very high1 Ų134.8 Ų34.81%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-116115.3177-54.2177.6000108.2V4 S5 F7 L51 F58 V102 S106 A109 L112V4-I104 WeakPolarHBondContact CA-O 3.4Å; S5-I104 PolarHBondContact N-O 2.83Å; S5-I104 PolarHBondContact O-N 2.97Å; F7-I104 HydrophobicContact CD2-CD1 4.15Å; F7-I104 HydrophobicContact CE2-CD1 4.11Å; L51-I104 HydrophobicContact CD1-CD1 3.95Å; L51-I104 HydrophobicContact CD2-CD1 4.11Å; L51-I104 HydrophobicContact CD2-CG1 4Å; F58-I104 HydrophobicContact CB-CG2 3.69Å; F58-I104 HydrophobicContact CD1-CG2 4.34Å; F58-I104 HydrophobicContact CG-CG2 4.03Å; V102-I104 HydrophobicContact CG1-CG1 4.13Å; I104-S106 PolarHBondContact O-N 2.91Å; I104-A109 HydrophobicContact CB-CB 3.83Å; I104-A109 HydrophobicContact CG2-CB 3.45Å; I104-A109 VanDerWaalsContact CG2-CB 3.45Å; I104-L112 HydrophobicContact CD1-CD1 4.5Å
105S88.8Confident91.1Very high30 Ų3033.9 Ų33.921%0.2120%0.199CC..EExtended strand (participates in β ladder)trans-94.274.3-179.7-58.60000110.5
106S85.2Confident91.1Very high7 Ų735.7 Ų35.75%0.04921%0.212CC..  trans-144.7141.7176.9135.40000110.4R3 I104 E108 A109R3-S106 PolarHBondContact O-N 3.39Å; I104-S106 PolarHBondContact O-N 2.91Å; S106-E108 PolarHBondContact O-N 2.83Å; S106-E108 PolarHBondContact OG-N 2.83Å; S106-E108 VanDerWaalsContact OG-N 3.14Å; S106-E108 PolarHBondContact OG-OE2 3.44Å; S106-A109 WeakPolarHBondContact O-CB 3.47Å; S106-A109 PolarHBondContact O-N 3.17Å; S106-A109 VanDerWaalsContact O-N 3.16Å; S106-A109 PolarHBondContact OG-N 2.83Å; S106-A109 VanDerWaalsContact OG-N 3.14Å
107P81.3Confident90.9Very high79 Ų7935.8 Ų35.851%0.51321%0.213SC..THydrogen-bonded Turntrans-55.6-40172.5-2534.4000113.1A109 A110P107-A109 VanDerWaalsContact C-N 3.28Å; P107-A109 PolarHBondContact O-N 2.88Å; P107-A110 WeakPolarHBondContact O-CB 3.24Å; P107-A110 PolarHBondContact O-N 2.04Å
108E83.5Confident90.8Very high112 Ų11236.4 Ų36.452%0.52322%0.219SC..G310 helixtrans-69.9-26.4179.6-54.775.4-161.200111.8F58 S106 A110 V111F58-E108 HydrophobicContact CE1-CB 3.89Å; F58-E108 HydrophobicContact CZ-CB 4.3Å; S106-E108 PolarHBondContact O-N 2.83Å; S106-E108 PolarHBondContact OG-N 2.83Å; S106-E108 VanDerWaalsContact OG-N 3.14Å; S106-E108 PolarHBondContact OG-OE2 3.44Å; E108-A110 PolarHBondContact O-N 2.93Å; E108-V111 WeakPolarHBondContact O-CG2 3.32Å; E108-V111 PolarHBondContact O-N 3.42Å
109A82.6Confident90.7Very high0 Ų043.3 Ų43.30%025%0.251CS..G310 helixtrans-64.1-24.6175.900000113S5 I104 S106 P107 V111 L112S5-A109 PolarHBondContact OG-O 2.86Å; S5-A109 VanDerWaalsContact OG-O 3.13Å; I104-A109 HydrophobicContact CB-CB 3.83Å; I104-A109 HydrophobicContact CG2-CB 3.45Å; I104-A109 VanDerWaalsContact CG2-CB 3.45Å; S106-A109 WeakPolarHBondContact O-CB 3.47Å; S106-A109 PolarHBondContact O-N 3.17Å; S106-A109 VanDerWaalsContact O-N 3.16Å; S106-A109 PolarHBondContact OG-N 2.83Å; S106-A109 VanDerWaalsContact OG-N 3.14Å; P107-A109 VanDerWaalsContact C-N 3.28Å; P107-A109 PolarHBondContact O-N 2.88Å; A109-V111 PolarHBondContact O-N 2.87Å; A109-L112 HydrophobicContact CB-CD1 4.09Å; A109-L112 WeakPolarHBondContact O-CB 3.43Å; A109-L112 PolarHBondContact O-N 2.9Å; A109-L112 VanDerWaalsContact O-N 3.11Å
110A78.7Confident90.5Very high27 Ų2743.6 Ų43.622%0.22325%0.251CS..G310 helixtrans-65.9-20.6-177.900000114.1R3 S5 P107 E108R3-A110 HydrophobicContact CB-CB 4.42Å; S5-A110 VanDerWaalsContact OG-CA 3.28Å; S5-A110 WeakPolarHBondContact OG-CA 3.24Å; S5-A110 PolarHBondContact OG-N 2.84Å; P107-A110 WeakPolarHBondContact O-CB 3.24Å; P107-A110 PolarHBondContact O-N 2.04Å; E108-A110 PolarHBondContact O-N 2.93Å
111V83.8Confident90.4Very high127 Ų12743.6 Ų43.677%0.7725%0.251SS*.G310 helixtrans-100-3.4177.1-61.30000112.9E108 A109E108-V111 WeakPolarHBondContact O-CG2 3.32Å; E108-V111 PolarHBondContact O-N 3.42Å; A109-V111 PolarHBondContact O-N 2.87Å
112L87.9Confident90.3Very high25 Ų2544 Ų4413%0.13126%0.26CS..  trans-71.3133.3178.2-62.8173.1000110.8F7 F58 I104 A109 V117 I120 N143F7-L112 HydrophobicContact CZ-CB 3.88Å; F58-L112 HydrophobicContact CD2-CD1 3.75Å; F58-L112 HydrophobicContact CE2-CD1 3.24Å; F58-L112 HydrophobicContact CE2-CD2 3.9Å; F58-L112 HydrophobicContact CE2-CG 4.09Å; F58-L112 HydrophobicContact CZ-CD1 3.76Å; F58-L112 HydrophobicContact CZ-CD2 4.14Å; F58-L112 HydrophobicContact CZ-CG 4.29Å; I104-L112 HydrophobicContact CD1-CD1 4.5Å; A109-L112 HydrophobicContact CB-CD1 4.09Å; A109-L112 WeakPolarHBondContact O-CB 3.43Å; A109-L112 PolarHBondContact O-N 2.9Å; A109-L112 VanDerWaalsContact O-N 3.11Å; L112-V117 HydrophobicContact CB-CG2 3.9Å; L112-V117 HydrophobicContact CD1-CG2 3.99Å; L112-I120 HydrophobicContact CD2-CD1 4.43Å; L112-N143 PolarHBondContact O-ND2 3.43Å
113N89.9Confident90.2Very high78 Ų7846.3 Ų46.342%0.41728%0.277SS..  trans-96.7171.1169.764.339.7000110.7S115 S116 V117N113-S115 VanDerWaalsContact C-N 3.33Å; N113-S115 PolarHBondContact O-N 3.49Å; N113-S115 PolarHBondContact OD1-N 3.39Å; N113-S115 PolarHBondContact OD1-OG 3.48Å; N113-S116 PolarHBondContact O-N 2.75Å; N113-S116 PolarHBondContact OD1-N 2.86Å; N113-S116 PolarHBondContact OD1-OG 3.32Å; N113-S116 VanDerWaalsContact OD1-OG 3.07Å; N113-V117 PolarHBondContact O-N 2.81Å
114S92.5Very high90.2Very high35 Ų3544.1 Ų44.125%0.24527%0.267CS..Hα-helixtrans-52.9-44178.4-81.40000114.4V117 T118 I141 N142 N143S114-V117 PolarHBondContact O-N 3.3Å; S114-T118 WeakPolarHBondContact O-CB 3.44Å; S114-T118 PolarHBondContact O-N 2.99Å; S114-T118 PolarHBondContact O-OG1 2.73Å; S114-I141 WeakPolarHBondContact CB-O 3.15Å; S114-I141 PolarHBondContact OG-O 3.32Å; S114-N142 VanDerWaalsContact OG-CA 3.27Å; S114-N142 WeakPolarHBondContact OG-CA 3.3Å; S114-N143 PolarHBondContact OG-N 3.36Å
115S92.5Very high90.3Very high74 Ų7446 Ų4652%0.51728%0.276SS..Hα-helixtrans-66.5-43.4-177.743.20000111.5N113 V117 T118 E119N113-S115 VanDerWaalsContact C-N 3.33Å; N113-S115 PolarHBondContact O-N 3.49Å; N113-S115 PolarHBondContact OD1-N 3.39Å; N113-S115 PolarHBondContact OD1-OG 3.48Å; S115-V117 PolarHBondContact O-N 3.21Å; S115-T118 WeakPolarHBondContact O-CB 3.35Å; S115-T118 PolarHBondContact O-N 3.17Å; S115-E119 PolarHBondContact O-N 2.94Å
116S92.4Very high90.4Very high39 Ų3949.1 Ų49.127%0.27330%0.298SS..Hα-helixtrans-61.6-43.1177.5-59.70000111.7N113 T118 E119 I120N113-S116 PolarHBondContact O-N 2.75Å; N113-S116 PolarHBondContact OD1-N 2.86Å; N113-S116 PolarHBondContact OD1-OG 3.32Å; N113-S116 VanDerWaalsContact OD1-OG 3.07Å; S116-T118 VanDerWaalsContact C-N 3.33Å; S116-T118 PolarHBondContact O-N 2.78Å; S116-E119 PolarHBondContact O-N 2.83Å; S116-I120 WeakPolarHBondContact O-CB 3.33Å; S116-I120 WeakPolarHBondContact O-CD1 3.34Å; S116-I120 WeakPolarHBondContact O-CG1 3.27Å; S116-I120 PolarHBondContact O-N 3.35Å
117V93.6Very high90.7Very high1 Ų153.9 Ų53.91%0.00632%0.319CS..Hα-helixtrans-69.1-34.3177.6-177.70000111.7F7 L112 N113 S114 S115 I120 I121 I141F7-V117 HydrophobicContact CB-CG1 4.48Å; F7-V117 HydrophobicContact CD1-CB 4.17Å; F7-V117 HydrophobicContact CD1-CG1 4.38Å; F7-V117 HydrophobicContact CD1-CG2 3.81Å; F7-V117 HydrophobicContact CD2-CG1 4.41Å; F7-V117 HydrophobicContact CD2-CG2 4.12Å; F7-V117 HydrophobicContact CE1-CB 4.3Å; F7-V117 HydrophobicContact CE1-CG2 3.5Å; F7-V117 VanDerWaalsContact CE1-CG2 3.5Å; F7-V117 HydrophobicContact CE2-CG2 3.84Å; F7-V117 HydrophobicContact CG-CB 4.44Å; F7-V117 HydrophobicContact CG-CG1 4.17Å; F7-V117 HydrophobicContact CG-CG2 4.13Å; F7-V117 HydrophobicContact CZ-CG2 3.54Å; L112-V117 HydrophobicContact CB-CG2 3.9Å; L112-V117 HydrophobicContact CD1-CG2 3.99Å; N113-V117 PolarHBondContact O-N 2.81Å; S114-V117 PolarHBondContact O-N 3.3Å; S115-V117 PolarHBondContact O-N 3.21Å; V117-I120 PolarHBondContact O-N 2.88Å; V117-I121 HydrophobicContact CG1-CD1 3.86Å; V117-I121 HydrophobicContact CG1-CG1 4.26Å; V117-I121 PolarHBondContact O-N 3.41Å; V117-I141 HydrophobicContact CB-CG2 4.32Å; V117-I141 HydrophobicContact CG1-CD1 4.16Å; V117-I141 HydrophobicContact CG1-CG2 4.03Å
118T95.8Very high91.1Very high43 Ų4351.8 Ų51.826%0.26430%0.304SS..Hα-helixtrans-61.8-46.5174.1-56.60000111.3S114 S115 S116 G122 I141S114-T118 WeakPolarHBondContact O-CB 3.44Å; S114-T118 PolarHBondContact O-N 2.99Å; S114-T118 PolarHBondContact O-OG1 2.73Å; S115-T118 WeakPolarHBondContact O-CB 3.35Å; S115-T118 PolarHBondContact O-N 3.17Å; S116-T118 VanDerWaalsContact C-N 3.33Å; S116-T118 PolarHBondContact O-N 2.78Å; T118-G122 WeakPolarHBondContact O-CA 3.21Å; T118-G122 PolarHBondContact O-N 3.3Å; T118-I141 WeakPolarHBondContact OG1-CB 3.37Å
119E95.5Very high91Very high146 Ų14654.5 Ų54.568%0.68232%0.322SS*.Hα-helixtrans-63.9-44.6175.6-87.6178.3167.200112.4S115 S116 S123S115-E119 PolarHBondContact O-N 2.94Å; S116-E119 PolarHBondContact O-N 2.83Å; E119-S123 WeakPolarHBondContact O-CB 3.12Å; E119-S123 PolarHBondContact O-N 2.76Å; E119-S123 PolarHBondContact O-OG 3.11Å
120I95.4Very high90.8Very high25 Ų2559.1 Ų59.113%0.12835%0.35CS..Hα-helixtrans-59.5-54.5178.9-71.7164.9000110.4L51 G54 Q55 F58 L112 S116 V117 S123 G124L51-I120 HydrophobicContact CD1-CG2 3.79Å; G54-I120 WeakPolarHBondContact CA-O 3.32Å; Q55-I120 HydrophobicContact CB-CD1 4.27Å; Q55-I120 HydrophobicContact CB-CG1 4.36Å; Q55-I120 HydrophobicContact CB-CG2 3.69Å; F58-I120 HydrophobicContact CD2-CD1 4.13Å; F58-I120 HydrophobicContact CE2-CD1 3.81Å; L112-I120 HydrophobicContact CD2-CD1 4.43Å; S116-I120 WeakPolarHBondContact O-CB 3.33Å; S116-I120 WeakPolarHBondContact O-CD1 3.34Å; S116-I120 WeakPolarHBondContact O-CG1 3.27Å; S116-I120 PolarHBondContact O-N 3.35Å; V117-I120 PolarHBondContact O-N 2.88Å; I120-S123 PolarHBondContact O-OG 2.91Å; I120-S123 VanDerWaalsContact O-OG 3.12Å; I120-G124 PolarHBondContact O-N 3.49Å
121I96.4Very high91Very high0 Ų062.1 Ų62.10%037%0.37CS..Hα-helixtrans-68.7-42.6-177.4-66.4-177.6000110.6L47 L51 V117 G124 I125 L139 I141L47-I121 HydrophobicContact CD2-CG2 4.06Å; L51-I121 HydrophobicContact CB-CG1 4.2Å; L51-I121 HydrophobicContact CD1-CG1 4.31Å; V117-I121 HydrophobicContact CG1-CD1 3.86Å; V117-I121 HydrophobicContact CG1-CG1 4.26Å; V117-I121 PolarHBondContact O-N 3.41Å; I121-G124 PolarHBondContact O-N 2.91Å; I121-I125 HydrophobicContact CG2-CD1 3.74Å; I121-I125 HydrophobicContact CG2-CG1 4.32Å; I121-I125 WeakPolarHBondContact O-CB 3.36Å; I121-I125 VanDerWaalsContact O-CG1 3.26Å; I121-I125 WeakPolarHBondContact O-CG1 3.44Å; I121-I125 PolarHBondContact O-N 2.98Å; I121-L139 HydrophobicContact CG2-CD2 4.48Å; I121-I141 HydrophobicContact CB-CD1 4.24Å; I121-I141 HydrophobicContact CD1-CD1 3.92Å; I121-I141 HydrophobicContact CG1-CD1 4.49Å
122G95Very high91.1Very high29 Ų2958.2 Ų58.230%0.29934%0.342SS..Hα-helixtrans-62.4-48179.500000112.9T118 I125 S126T118-G122 WeakPolarHBondContact O-CA 3.21Å; T118-G122 PolarHBondContact O-N 3.3Å; G122-I125 PolarHBondContact O-N 2.82Å; G122-S126 PolarHBondContact O-N 2.59Å
123S95Very high91Very high49 Ų4959 Ų5934%0.34336%0.357SS..Hα-helixtrans-64.6-40.6176.963.90000111.6E119 I120 S126 Q127E119-S123 WeakPolarHBondContact O-CB 3.12Å; E119-S123 PolarHBondContact O-N 2.76Å; E119-S123 PolarHBondContact O-OG 3.11Å; I120-S123 PolarHBondContact O-OG 2.91Å; I120-S123 VanDerWaalsContact O-OG 3.12Å; S123-S126 PolarHBondContact O-N 2.9Å; S123-S126 PolarHBondContact O-OG 2.83Å; S123-Q127 WeakPolarHBondContact O-CG 3.47Å; S123-Q127 PolarHBondContact O-N 2.92Å; S123-Q127 PolarHBondContact O-NE2 3.33Å; S123-Q127 VanDerWaalsContact O-NE2 3.16Å
124G95.3Very high91.1Very high0 Ų055.5 Ų55.50%034%0.338CS..Hα-helixtrans-65.3-38.7175.600000112.9G50 I120 I121 S126 Q127G50-G124 WeakPolarHBondContact O-CA 3.35Å; I120-G124 PolarHBondContact O-N 3.49Å; I121-G124 PolarHBondContact O-N 2.91Å; G124-S126 VanDerWaalsContact C-N 3.33Å; G124-S126 PolarHBondContact O-N 2.95Å; G124-Q127 PolarHBondContact O-N 3.49Å
125I94.1Very high91Very high39 Ų3957.5 Ų57.520%0.234%0.344CS..Hα-helixtrans-62.3-41.5173.8-73.3172.5000111L46 I121 G122 Q127 L128 L136L46-I125 HydrophobicContact CD1-CD1 4.3Å; L46-I125 HydrophobicContact CD1-CG1 3.92Å; L46-I125 HydrophobicContact CD1-CG2 4.17Å; L46-I125 HydrophobicContact CD2-CD1 4.43Å; L46-I125 HydrophobicContact CG-CD1 4.02Å; L46-I125 HydrophobicContact CG-CG1 4.16Å; I121-I125 HydrophobicContact CG2-CD1 3.74Å; I121-I125 HydrophobicContact CG2-CG1 4.32Å; I121-I125 WeakPolarHBondContact O-CB 3.36Å; I121-I125 VanDerWaalsContact O-CG1 3.26Å; I121-I125 WeakPolarHBondContact O-CG1 3.44Å; I121-I125 PolarHBondContact O-N 2.98Å; G122-I125 PolarHBondContact O-N 2.82Å; I125-Q127 PolarHBondContact O-N 3.42Å; I125-L128 HydrophobicContact CB-CD1 4.44Å; I125-L128 HydrophobicContact CG1-CD1 4.35Å; I125-L128 WeakPolarHBondContact O-CB 3.49Å; I125-L128 PolarHBondContact O-N 3.28Å; I125-L128 VanDerWaalsContact O-N 3.12Å; I125-L136 HydrophobicContact CD1-CD1 3.63Å; I125-L136 HydrophobicContact CD1-CG 4.38Å
126S91.7Very high91.1Very high97 Ų9755.7 Ų55.768%0.67833%0.328SS*.Hα-helixtrans-65.2-18.8177.770.70000114.4G122 S123 G124G122-S126 PolarHBondContact O-N 2.59Å; S123-S126 PolarHBondContact O-N 2.9Å; S123-S126 PolarHBondContact O-OG 2.83Å; G124-S126 VanDerWaalsContact C-N 3.33Å; G124-S126 PolarHBondContact O-N 2.95Å
127Q92.4Very high91Very high106 Ų10656 Ų5650%0.49533%0.33SS..THydrogen-bonded Turntrans-89.7-2.8177.2-69.8171.765.200113.2L53 S123 G124 I125 N129L53-Q127 HydrophobicContact CD1-CB 4.14Å; S123-Q127 WeakPolarHBondContact O-CG 3.47Å; S123-Q127 PolarHBondContact O-N 2.92Å; S123-Q127 PolarHBondContact O-NE2 3.33Å; S123-Q127 VanDerWaalsContact O-NE2 3.16Å; G124-Q127 PolarHBondContact O-N 3.49Å; I125-Q127 PolarHBondContact O-N 3.42Å; Q127-N129 PolarHBondContact O-N 3.14Å
128L89.1Confident90.9Very high36 Ų3661.6 Ų61.619%0.18836%0.36CS..  trans-73.2119.4-177.4-72.7168.8000111.6L46 Q49 L53 I125 T130 F132L46-L128 HydrophobicContact CD1-CD1 3.24Å; Q49-L128 HydrophobicContact CB-CD2 4.1Å; L53-L128 HydrophobicContact CD1-CD2 3.46Å; L53-L128 VanDerWaalsContact CD1-CD2 3.46Å; L53-L128 HydrophobicContact CD1-CG 3.98Å; I125-L128 HydrophobicContact CB-CD1 4.44Å; I125-L128 HydrophobicContact CG1-CD1 4.35Å; I125-L128 WeakPolarHBondContact O-CB 3.49Å; I125-L128 PolarHBondContact O-N 3.28Å; I125-L128 VanDerWaalsContact O-N 3.12Å; L128-T130 VanDerWaalsContact C-N 3.32Å; L128-F132 HydrophobicContact CD1-CD2 4.19Å; L128-F132 HydrophobicContact CD1-CE2 3.81Å; L128-F132 HydrophobicContact CD2-CE2 3.9Å; L128-F132 HydrophobicContact CG-CE2 4.44Å
129N81.7Confident90.7Very high168 Ų16861.6 Ų61.690%0.89836%0.358SS*.  trans-82.8-12.8169-64-29.3000112.7Q127Q127-N129 PolarHBondContact O-N 3.14Å
130T77.8Confident90.6Very high97 Ų9757.9 Ų57.960%0.59535%0.345SS*.SBendtrans-109.3131.2-177.5-48.40000110.1L128L128-T130 VanDerWaalsContact C-N 3.32Å
131S83Confident90.6Very high90 Ų9056.9 Ų56.963%0.62934%0.34SS*.  trans-81137.1170.8-179.60000110.9G133S131-G133 PolarHBondContact OG-N 3.34Å
132F85.3Confident90.5Very high45 Ų4560.3 Ų60.320%0.19736%0.358CS..  trans-96.911.2172.4-68.3-86.4000112.7S42 L46 Q49 L128 V134S42-F132 WeakPolarHBondContact CB-O 3.21Å; S42-F132 PolarHBondContact OG-O 2.74Å; L46-F132 HydrophobicContact CB-CB 4.25Å; L46-F132 HydrophobicContact CB-CD2 4.21Å; L46-F132 HydrophobicContact CB-CG 4.28Å; L46-F132 HydrophobicContact CD1-CD2 3.78Å; L46-F132 HydrophobicContact CD1-CE2 4.38Å; Q49-F132 HydrophobicContact CB-CE2 4.15Å; Q49-F132 HydrophobicContact CB-CZ 3.88Å; Q49-F132 HydrophobicContact CG-CE1 4.14Å; Q49-F132 HydrophobicContact CG-CE2 4.37Å; Q49-F132 HydrophobicContact CG-CZ 3.6Å; L128-F132 HydrophobicContact CD1-CD2 4.19Å; L128-F132 HydrophobicContact CD1-CE2 3.81Å; L128-F132 HydrophobicContact CD2-CE2 3.9Å; L128-F132 HydrophobicContact CG-CE2 4.44Å; F132-V134 HydrophobicContact CB-CG2 4.19Å; F132-V134 PolarHBondContact O-N 2.73Å
133G86Confident90.2Very high43 Ų4360 Ų6044%0.44335%0.35SS..SBendtrans74.32.6-172.700000114.1H22 S131H22-G133 PolarHBondContact NE2-O 3.32Å; S131-G133 PolarHBondContact OG-N 3.34Å
134V91.6Very high89.7Confident4 Ų459.8 Ų59.82%0.02435%0.345CS..  trans-135.9146.6176.4-660000109.8Y14 L39 L46 F132Y14-V134 CarbonylContact O-C 3.46Å; Y14-V134 WeakPolarHBondContact O-CA 3.09Å; L39-V134 HydrophobicContact CD1-CG1 3.5Å; L39-V134 VanDerWaalsContact CD1-CG1 3.5Å; L46-V134 HydrophobicContact CB-CG2 4.1Å; L46-V134 HydrophobicContact CD2-CG2 3.84Å; L46-V134 WeakPolarHBondContact CD2-O 3.46Å; F132-V134 HydrophobicContact CB-CG2 4.19Å; F132-V134 PolarHBondContact O-N 2.73Å
135Q91.8Very high88.3Confident77 Ų7764.2 Ų64.236%0.3637%0.367SS..EExtended strand (participates in β ladder)trans-129.7152.3167.2-64.4-167.2-6.800109.4L13 Y14 G17L13-Q135 WeakPolarHBondContact CA-O 3.49Å; Y14-Q135 PolarHBondContact N-O 3.41Å; Y14-Q135 PolarHBondContact O-N 3.05Å; G17-Q135 PolarHBondContact O-OE1 2.92Å
136L93.2Very high86.1Confident36 Ų3669 Ų6919%0.18839%0.388CS..EExtended strand (participates in β ladder)trans-107.1130-174.9-51.2-172.9000110A11 L13 F43 L46 L47 I125 L139A11-L136 HydrophobicContact CB-CB 3.88Å; A11-L136 HydrophobicContact CB-CD1 4.33Å; A11-L136 HydrophobicContact CB-CD2 4.03Å; A11-L136 HydrophobicContact CB-CG 4.28Å; L13-L136 HydrophobicContact CD2-CD2 3.55Å; F43-L136 HydrophobicContact CD2-CD2 3.78Å; F43-L136 HydrophobicContact CE2-CD1 4.28Å; F43-L136 HydrophobicContact CE2-CD2 3.65Å; L46-L136 HydrophobicContact CD2-CD1 4.1Å; L46-L136 HydrophobicContact CD2-CD2 3.86Å; L46-L136 HydrophobicContact CD2-CG 3.61Å; L47-L136 HydrophobicContact CD2-CD1 3.63Å; I125-L136 HydrophobicContact CD1-CD1 3.63Å; I125-L136 HydrophobicContact CD1-CG 4.38Å; L136-L139 HydrophobicContact CD1-CD1 4.05Å
137S91.6Very high84Confident44 Ų4467.8 Ų67.831%0.30838%0.376SS..EExtended strand (participates in β ladder)trans-120154.2166.7-174.80000109.6V12 L139V12-S137 PolarHBondContact N-O 2.64Å; V12-S137 PolarHBondContact O-N 2.78Å; S137-L139 VanDerWaalsContact C-N 3.26Å; S137-L139 PolarHBondContact O-N 3.42Å
138N90.3Very high81.7Confident120 Ų12066.5 Ų66.564%0.64238%0.376SS*.EExtended strand (participates in β ladder)trans50.946.1-176.6-59-26.9000112.6V12 V140V12-N138 HydrophobicContact CG2-CB 4.45Å; N138-V140 PolarHBondContact O-N 2.97Å
139L92.8Very high79.6Confident43 Ų4371.7 Ų71.723%0.22540%0.397CS..EExtended strand (participates in β ladder)trans-62.9121.3178179.864.5000110.1V9 K10 A11 I121 L136 S137 I141V9-L139 HydrophobicContact CG1-CD1 3.46Å; V9-L139 VanDerWaalsContact CG1-CD1 3.46Å; K10-L139 WeakPolarHBondContact O-CA 3.21Å; A11-L139 HydrophobicContact CB-CD1 4.19Å; I121-L139 HydrophobicContact CG2-CD2 4.48Å; L136-L139 HydrophobicContact CD1-CD1 4.05Å; S137-L139 VanDerWaalsContact C-N 3.26Å; S137-L139 PolarHBondContact O-N 3.42Å; L139-I141 HydrophobicContact CD1-CD1 4.37Å; L139-I141 HydrophobicContact CD1-CG1 4.19Å; L139-I141 HydrophobicContact CD2-CD1 4.43Å; L139-I141 HydrophobicContact CG-CD1 4.44Å; L139-I141 HydrophobicContact CG-CG1 4.25Å
140V93.7Very high77.7Confident68 Ų6870.2 Ų70.241%0.41238%0.382SS..EExtended strand (participates in β ladder)trans-127.3130.2176.1178.90000108.6K10 N138K10-V140 PolarHBondContact N-O 2.87Å; K10-V140 PolarHBondContact O-N 2.81Å; N138-V140 PolarHBondContact O-N 2.97Å
141I95.1Very high76.3Confident4 Ų470.6 Ų70.62%0.02138%0.38CS..EExtended strand (participates in β ladder)trans-126.4125.4179.4-51-169.3000110.7F7 Q8 V9 S114 V117 T118 I121 L139F7-I141 HydrophobicContact CB-CG2 3.7Å; F7-I141 HydrophobicContact CD1-CG2 4.24Å; F7-I141 HydrophobicContact CG-CG2 4.34Å; Q8-I141 CarbonylContact O-C 3.5Å; Q8-I141 VanDerWaalsContact O-CA 3.3Å; Q8-I141 WeakPolarHBondContact O-CA 3.49Å; V9-I141 HydrophobicContact CB-CG1 4.47Å; V9-I141 HydrophobicContact CG1-CD1 4.39Å; V9-I141 HydrophobicContact CG1-CG1 4.18Å; V9-I141 HydrophobicContact CG2-CD1 3.97Å; V9-I141 HydrophobicContact CG2-CG1 4.06Å; V9-I141 HydrophobicContact CG2-CG2 4.16Å; S114-I141 WeakPolarHBondContact CB-O 3.15Å; S114-I141 PolarHBondContact OG-O 3.32Å; V117-I141 HydrophobicContact CB-CG2 4.32Å; V117-I141 HydrophobicContact CG1-CD1 4.16Å; V117-I141 HydrophobicContact CG1-CG2 4.03Å; T118-I141 WeakPolarHBondContact OG1-CB 3.37Å; I121-I141 HydrophobicContact CB-CD1 4.24Å; I121-I141 HydrophobicContact CD1-CD1 3.92Å; I121-I141 HydrophobicContact CG1-CD1 4.49Å; L139-I141 HydrophobicContact CD1-CD1 4.37Å; L139-I141 HydrophobicContact CD1-CG1 4.19Å; L139-I141 HydrophobicContact CD2-CD1 4.43Å; L139-I141 HydrophobicContact CG-CD1 4.44Å; L139-I141 HydrophobicContact CG-CG1 4.25Å
142N93.3Very high74.7Confident71 Ų7171 Ų7138%0.3838%0.375SS..EExtended strand (participates in β ladder)trans-120.5129-178.4-66.7-47.7000110.9F7 Q8 S114 L144F7-N142 CarbonylContact C-O 3.32Å; F7-N142 WeakPolarHBondContact CA-O 3.35Å; Q8-N142 PolarHBondContact N-O 3.23Å; Q8-N142 PolarHBondContact O-N 3.35Å; S114-N142 VanDerWaalsContact OG-CA 3.27Å; S114-N142 WeakPolarHBondContact OG-CA 3.3Å; N142-L144 PolarHBondContact O-N 3.24Å
143N88.9Confident73Confident22 Ų2276.2 Ų76.212%0.11840%0.398CS..EExtended strand (participates in β ladder)trans-70.3119.9171.5-172.5-34.1000110F7 L112 S114 M145 H146F7-N143 HydrophobicContact CD1-CB 3.86Å; F7-N143 HydrophobicContact CE1-CB 3.69Å; L112-N143 PolarHBondContact O-ND2 3.43Å; S114-N143 PolarHBondContact OG-N 3.36Å; N143-M145 WeakPolarHBondContact OD1-CB 3.34Å; N143-M145 PolarHBondContact OD1-N 3.42Å; N143-H146 PolarHBondContact O-N 2.95Å
144L84Confident71.4Confident46 Ų4677.8 Ų77.824%0.24140%0.396CS..Hα-helixtrans-73.3-25.3-177.6-71.8-176.9000113.6T6 Q8 N142 H146 V147T6-L144 HydrophobicContact CG2-CD1 3.82Å; T6-L144 PolarHBondContact O-N 2.87Å; Q8-L144 HydrophobicContact CB-CD1 4.27Å; Q8-L144 HydrophobicContact CB-CD2 3.78Å; Q8-L144 HydrophobicContact CB-CG 3.97Å; N142-L144 PolarHBondContact O-N 3.24Å; L144-H146 PolarHBondContact O-N 3.45Å; L144-V147 HydrophobicContact CD2-CG2 4.32Å; L144-V147 PolarHBondContact O-N 2.99Å
145M66.2Low69.5Low92 Ų9279.4 Ų79.445%0.45341%0.413SS..Hα-helixtrans-64.6-23.4175.3-73.7-151.2-75.600112.7N143 T148N143-M145 WeakPolarHBondContact OD1-CB 3.34Å; N143-M145 PolarHBondContact OD1-N 3.42Å; M145-T148 PolarHBondContact O-OG1 3.1Å
146H49.7Very low67.8Low141 Ų14181.9 Ų81.965%0.65343%0.429SS*.Hα-helixtrans-82.5-27.6177.4-126.6-125.3000112.4N143 L144 F150N143-H146 PolarHBondContact O-N 2.95Å; L144-H146 PolarHBondContact O-N 3.45Å; H146-F150 PolarHBondContact O-N 3.21Å; H146-F150 VanDerWaalsContact O-N 3.09Å
147V47.4Very low65.9Low71 Ų7187 Ų8743%0.4346%0.456SS..Hα-helixtrans-68.4-44179.7-176.30000110.6L144 F150 L151L144-V147 HydrophobicContact CD2-CG2 4.32Å; L144-V147 PolarHBondContact O-N 2.99Å; V147-F150 PolarHBondContact O-N 3.24Å; V147-L151 HydrophobicContact CG1-CD1 4.38Å; V147-L151 WeakPolarHBondContact O-CG 3.46Å; V147-L151 PolarHBondContact O-N 2.71Å; V147-L151 VanDerWaalsContact O-N 3.09Å
148T43.4Very low63.8Low79 Ų7994.3 Ų94.349%0.48548%0.478SS..Hα-helixtrans-62.9-46.1175.135.10000111.8M145 F150 L151 D152M145-T148 PolarHBondContact O-OG1 3.1Å; T148-F150 VanDerWaalsContact C-N 3.28Å; T148-F150 PolarHBondContact O-N 3.27Å; T148-L151 CarbonylContact O-C 3.52Å; T148-L151 PolarHBondContact O-N 2.61Å; T148-L151 VanDerWaalsContact O-N 3.13Å; T148-D152 WeakPolarHBondContact O-CB 3.25Å; T148-D152 PolarHBondContact O-N 3.27Å
149K44.4Very low61.7Low144 Ų14499.7 Ų99.763%0.62650%0.499SS*.Hα-helixtrans-60.7-34177.4-80.3-173.5177.7-1800114K153K149-K153 WeakPolarHBondContact O-CB 3.34Å; K149-K153 PolarHBondContact O-N 3.06Å
150F42.8Very low60.1Low137 Ų137102.6 Ų102.660%0.60151%0.513SS*.Hα-helixtrans-70.6-41.5176.1-166.2-97.3000111.4H146 V147 T148 K153 L154H146-F150 PolarHBondContact O-N 3.21Å; H146-F150 VanDerWaalsContact O-N 3.09Å; V147-F150 PolarHBondContact O-N 3.24Å; T148-F150 VanDerWaalsContact C-N 3.28Å; T148-F150 PolarHBondContact O-N 3.27Å; F150-K153 PolarHBondContact O-N 3.48Å; F150-L154 HydrophobicContact CD1-CD1 3.77Å; F150-L154 HydrophobicContact CD1-CG 4.3Å; F150-L154 HydrophobicContact CE1-CD1 3.54Å; F150-L154 HydrophobicContact CE1-CG 4.1Å; F150-L154 HydrophobicContact CZ-CD1 4.48Å; F150-L154 WeakPolarHBondContact O-CG 3.26Å; F150-L154 PolarHBondContact O-N 3.03Å
151L47.2Very low58.4Low105 Ų105104.4 Ų104.455%0.5552%0.518SS..Hα-helixtrans-65.9-37.7173.4-67.4176.1000112.2V147 T148 K153 L154 G155V147-L151 HydrophobicContact CG1-CD1 4.38Å; V147-L151 WeakPolarHBondContact O-CG 3.46Å; V147-L151 PolarHBondContact O-N 2.71Å; V147-L151 VanDerWaalsContact O-N 3.09Å; T148-L151 CarbonylContact O-C 3.52Å; T148-L151 PolarHBondContact O-N 2.61Å; T148-L151 VanDerWaalsContact O-N 3.13Å; L151-K153 VanDerWaalsContact C-N 3.34Å; L151-K153 PolarHBondContact O-N 3.15Å; L151-L154 PolarHBondContact O-N 3.1Å; L151-G155 PolarHBondContact O-N 3.26Å
152D50.1Low56.3Low98 Ų98109.9 Ų109.952%0.52455%0.546SS..Hα-helixtrans-64.8-38.8174.5-65.9-25.7000111.2T148 G155 N156T148-D152 WeakPolarHBondContact O-CB 3.25Å; T148-D152 PolarHBondContact O-N 3.27Å; D152-G155 PolarHBondContact O-N 2.95Å; D152-N156 WeakPolarHBondContact O-CB 3.32Å; D152-N156 PolarHBondContact O-N 3.08Å; D152-N156 PolarHBondContact O-ND2 3.07Å
153K48.7Very low54.1Low156 Ų156112.2 Ų112.268%0.67856%0.555SS**Hα-helixtrans-66-38.5173.3-103.6-174175.9-174.90112.6K149 F150 L151 L157K149-K153 WeakPolarHBondContact O-CB 3.34Å; K149-K153 PolarHBondContact O-N 3.06Å; F150-K153 PolarHBondContact O-N 3.48Å; L151-K153 VanDerWaalsContact C-N 3.34Å; L151-K153 PolarHBondContact O-N 3.15Å; K153-L157 WeakPolarHBondContact O-CD1 3.26Å; K153-L157 PolarHBondContact O-N 3.21Å
154L52.6Low52Low76 Ų76117.9 Ų117.940%0.39858%0.583SS.*Hα-helixtrans-70.5-41.3175-74.3174.2000111.4F150 L151 N156 L157 Y158F150-L154 HydrophobicContact CD1-CD1 3.77Å; F150-L154 HydrophobicContact CD1-CG 4.3Å; F150-L154 HydrophobicContact CE1-CD1 3.54Å; F150-L154 HydrophobicContact CE1-CG 4.1Å; F150-L154 HydrophobicContact CZ-CD1 4.48Å; F150-L154 WeakPolarHBondContact O-CG 3.26Å; F150-L154 PolarHBondContact O-N 3.03Å; L151-L154 PolarHBondContact O-N 3.1Å; L154-N156 VanDerWaalsContact C-N 3.31Å; L154-N156 PolarHBondContact O-N 3.12Å; L154-L157 PolarHBondContact O-N 3.27Å; L154-Y158 VanDerWaalsContact O-CD2 3.31Å; L154-Y158 WeakPolarHBondContact O-CD2 3.49Å
155G53.1Low49.8Very low38 Ų38122.7 Ų122.739%0.39261%0.606SS.*Hα-helixtrans-60.9-38.9176.600000112.5L151 D152 L157 Y158L151-G155 PolarHBondContact O-N 3.26Å; D152-G155 PolarHBondContact O-N 2.95Å; G155-L157 VanDerWaalsContact C-N 3.25Å; G155-L157 PolarHBondContact O-N 2.76Å; G155-Y158 PolarHBondContact O-N 3.02Å
156N55.1Low48.7Very low129 Ų129124.9 Ų124.969%0.6962%0.616SS**THydrogen-bonded Turntrans-77.3-3.3174.6-73.3-24.8000114.5D152 L154D152-N156 WeakPolarHBondContact O-CB 3.32Å; D152-N156 PolarHBondContact O-N 3.08Å; D152-N156 PolarHBondContact O-ND2 3.07Å; L154-N156 VanDerWaalsContact C-N 3.31Å; L154-N156 PolarHBondContact O-N 3.12Å
157L53.6Low48.6Very low142 Ų142123.6 Ų123.674%0.74361%0.614SS**THydrogen-bonded Turntrans-92.1-9.4169-109.797.2000113K153 L154 G155K153-L157 WeakPolarHBondContact O-CD1 3.26Å; K153-L157 PolarHBondContact O-N 3.21Å; L154-L157 PolarHBondContact O-N 3.27Å; G155-L157 VanDerWaalsContact C-N 3.25Å; G155-L157 PolarHBondContact O-N 2.76Å
158Y46.9Very low48.7Very low198 Ų198128 Ų12878%0.77663%0.629SS**  trans-106.617177.9-73.9-77.4000113.6L154 G155L154-Y158 VanDerWaalsContact O-CD2 3.31Å; L154-Y158 WeakPolarHBondContact O-CD2 3.49Å; G155-Y158 PolarHBondContact O-N 3.02Å
159H46.4Very low49.2Very low234 Ų234132.5 Ų132.5100%1.08364%0.642SS**  trans-128.90171-84.4-53.3000112.2

Retrieved 159 of 159 residues in 487.6 ms (Link to these results)