G4LXF4_SCHMA Loading...

Morn protein, putative

AlphaFold DB , UniProt , Accession G4LXF4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 195 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
1M40.7Very low73.5Confident223 Ų22396.2 Ų96.2100%1.09951%0.509SS*.  0114.90-63.1-178.5-146.700106.2G3M1-G3 PolarHBondContact O-N 3.01Å; M1-G3 VanDerWaalsContact O-N 3.14Å
2N48.9Very low74.1Confident173 Ų17388.6 Ų88.693%0.92547%0.468SS*.  trans-79.781.5164.7-77.5-0.6000105.6D4N2-D4 PolarHBondContact O-N 3.21Å
3G56.6Low74.5Confident47 Ų4789.3 Ų89.349%0.48548%0.481SS..  trans-67128.7164.800000106.4M1 E5M1-G3 PolarHBondContact O-N 3.01Å; M1-G3 VanDerWaalsContact O-N 3.14Å; G3-E5 PolarHBondContact O-N 2.93Å; G3-E5 VanDerWaalsContact O-N 3.09Å
4D70.8Confident74.6Confident136 Ų13689.2 Ų89.273%0.72748%0.481SS*.  trans-50.1121.7173.4-63.6-44000107.9N2 L6N2-D4 PolarHBondContact O-N 3.21Å; D4-L6 HydrophobicContact CB-CD2 4.47Å; D4-L6 PolarHBondContact O-N 2.74Å
5E76.3Confident74.9Confident112 Ų11285.5 Ų85.552%0.52347%0.471SS..  trans-64.3109173.4-72.9-178.6168.600107.2G3 Q21 H32G3-E5 PolarHBondContact O-N 2.93Å; G3-E5 VanDerWaalsContact O-N 3.09Å; E5-Q21 PolarHBondContact OE2-NE2 2.89Å; E5-H32 IonicContact OE1-CD2 2.96Å
6L89Confident75.5Confident70 Ų7081.2 Ų81.237%0.36645%0.447SS..EExtended strand (participates in β ladder)trans-88.6155.5178.8-60.4175.5000108.9D4 Q21 Y22D4-L6 HydrophobicContact CB-CD2 4.47Å; D4-L6 PolarHBondContact O-N 2.74Å; L6-Q21 CarbonylContact O-C 3.44Å; L6-Q21 WeakPolarHBondContact O-CA 3.4Å; L6-Y22 HydrophobicContact CB-CD1 3.89Å; L6-Y22 HydrophobicContact CB-CD2 4.16Å; L6-Y22 HydrophobicContact CB-CE1 3.41Å; L6-Y22 VanDerWaalsContact CB-CE1 3.41Å; L6-Y22 HydrophobicContact CB-CE2 3.72Å; L6-Y22 HydrophobicContact CB-CG 4.24Å; L6-Y22 HydrophobicContact CD1-CD2 4.41Å; L6-Y22 HydrophobicContact CD1-CE2 3.54Å; L6-Y22 HydrophobicContact CG-CE2 4.25Å; L6-Y22 PolarHBondContact N-O 2.9Å; L6-Y22 WeakPolarHBondContact O-CD1 3.32Å; L6-Y22 PolarHBondContact O-N 3.1Å
7F88.6Confident75.9Confident133 Ų13377.3 Ų77.358%0.58343%0.425SS*.EExtended strand (participates in β ladder)trans-117.3136173-173.8-85.5000109.4E19 G20 Q21 Y22F7-E19 HydrophobicContact CE1-CG 3.93Å; F7-E19 HydrophobicContact CE2-CG 4.43Å; F7-E19 HydrophobicContact CZ-CG 3.49Å; F7-E19 VanDerWaalsContact CZ-CG 3.49Å; F7-G20 WeakPolarHBondContact CA-O 3.45Å; F7-Q21 HydrophobicContact CD2-CG 4.41Å; F7-Y22 VanDerWaalsContact C-CE1 3.49Å
8G85.6Confident76.5Confident12 Ų1273 Ų7312%0.12440%0.401CS..EExtended strand (participates in β ladder)trans-153.7162.4-175.800000113.5E19 G20G8-E19 WeakPolarHBondContact O-CA 3.19Å; G8-G20 PolarHBondContact N-O 3.23Å; G8-G20 PolarHBondContact O-N 2.81Å
9Q85.3Confident77Confident101 Ų10171.2 Ų71.247%0.47239%0.389SS..EExtended strand (participates in β ladder)trans-119.2129.6172.5-65.8179.2-8.700108Y17 Y18 E19Q9-Y17 HydrophobicContact CB-CE2 4.2Å; Q9-Y17 WeakPolarHBondContact CG-OH 3.47Å; Q9-Y18 CarbonylContact C-O 3.52Å; Q9-Y18 WeakPolarHBondContact CA-O 3.4Å; Q9-E19 HydrophobicContact CG-CB 4.16Å; Q9-E19 HydrophobicContact CG-CG 3.89Å; Q9-E19 PolarHBondContact NE2-OE1 2.83Å
10F84.7Confident77.7Confident9 Ų967.7 Ų67.74%0.03937%0.37CS..EExtended strand (participates in β ladder)trans-134.2131.2-172.5-55.9-91000109.9Y17 Y18 Y22 I29 V48F10-Y17 WeakPolarHBondContact O-CA 3.38Å; F10-Y17 WeakPolarHBondContact O-CD2 3.34Å; F10-Y18 AromaticContact CD2-CD1 3.68Å; F10-Y18 HydrophobicContact CD2-CD1 3.68Å; F10-Y18 HydrophobicContact CD2-CE1 4.42Å; F10-Y18 HydrophobicContact CE2-CD1 4.17Å; F10-Y18 HydrophobicContact CE2-CE1 4.48Å; F10-Y18 PolarHBondContact N-O 3.35Å; F10-Y18 PolarHBondContact O-N 2.99Å; F10-Y22 AromaticContact CE2-CD1 3.73Å; F10-Y22 HydrophobicContact CE2-CD1 3.73Å; F10-Y22 HydrophobicContact CE2-CE1 4.04Å; F10-Y22 HydrophobicContact CE2-CG 4.2Å; F10-Y22 AromaticContact CZ-CD1 3.7Å; F10-Y22 HydrophobicContact CZ-CD1 3.7Å; F10-Y22 HydrophobicContact CZ-CD2 4.28Å; F10-Y22 AromaticContact CZ-CE1 3.66Å; F10-Y22 HydrophobicContact CZ-CE1 3.66Å; F10-Y22 HydrophobicContact CZ-CE2 4.26Å; F10-Y22 HydrophobicContact CZ-CG 4.01Å; F10-Y22 AromaticContact CZ-CZ 3.95Å; F10-I29 HydrophobicContact CD1-CD1 3.86Å; F10-I29 HydrophobicContact CE1-CD1 3.38Å; F10-I29 HydrophobicContact CZ-CD1 3.89Å; F10-V48 HydrophobicContact CB-CG2 4.47Å; F10-V48 HydrophobicContact CD1-CG1 4.4Å
11V81.8Confident78.4Confident42 Ų4266.8 Ų66.826%0.25536%0.364SS..EExtended strand (participates in β ladder)trans-108.6126.1170.7-179.80000108.2D16 Y17 L54V11-D16 WeakPolarHBondContact CA-O 3.36Å; V11-Y17 HydrophobicContact CG2-CD2 3.97Å; V11-L54 HydrophobicContact CG2-CD1 4.34Å
12F81.3Confident80.8Confident5 Ų558 Ų582%0.02232%0.318CS..  trans-79.5155.5177-72.6-99.8000110.6N14 G15 D16 F37 R44 M45 D47 V48F12-N14 WeakPolarHBondContact CB-OD1 3.39Å; F12-N14 PolarHBondContact O-N 2.79Å; F12-G15 PolarHBondContact O-N 2.96Å; F12-D16 HydrophobicContact CB-CB 3.9Å; F12-D16 HydrophobicContact CD2-CB 3.91Å; F12-D16 WeakPolarHBondContact CD2-O 3.13Å; F12-D16 HydrophobicContact CG-CB 3.98Å; F12-D16 PolarHBondContact N-O 3.17Å; F12-F37 HydrophobicContact CD2-CE2 4.35Å; F12-F37 HydrophobicContact CD2-CZ 4.47Å; F12-F37 AromaticContact CE2-CE2 3.83Å; F12-F37 HydrophobicContact CE2-CE2 3.83Å; F12-F37 HydrophobicContact CE2-CZ 4.36Å; F12-F37 HydrophobicContact CZ-CE2 4.25Å; F12-R44 WeakPolarHBondContact CE1-O 3.35Å; F12-M45 HydrophobicContact CE1-CE 3.94Å; F12-M45 HydrophobicContact CE2-CE 3.84Å; F12-M45 HydrophobicContact CE2-SD 4.22Å; F12-M45 HydrophobicContact CZ-CE 3.1Å; F12-M45 HydrophobicContact CZ-SD 3.56Å; F12-M45 VanDerWaalsContact CZ-SD 3.56Å; F12-D47 HydrophobicContact CD1-CB 4.09Å; F12-D47 HydrophobicContact CE1-CB 4.21Å; F12-V48 HydrophobicContact CD1-CG2 3.77Å; F12-V48 HydrophobicContact CD2-CG2 4.26Å; F12-V48 HydrophobicContact CE1-CG2 3.22Å; F12-V48 HydrophobicContact CE2-CG2 3.77Å; F12-V48 HydrophobicContact CG-CG2 4.19Å; F12-V48 HydrophobicContact CZ-CG2 3.13Å
13P79.1Confident82.8Confident98 Ų9850.8 Ų50.864%0.63628%0.281SS*.THydrogen-bonded Turntrans-55.5-25.1175.6-27.435.4000114.9G15 D47P13-G15 VanDerWaalsContact C-N 3.34Å; P13-D47 WeakPolarHBondContact CD-O 3.41Å; P13-D47 WeakPolarHBondContact CG-O 3.39Å
14N76.4Confident84.3Confident88 Ų8854.8 Ų54.847%0.47129%0.288SS..THydrogen-bonded Turntrans-87.21.6176.168.3-21.9000113.9F12 D16F12-N14 WeakPolarHBondContact CB-OD1 3.39Å; F12-N14 PolarHBondContact O-N 2.79Å; N14-D16 PolarHBondContact ND2-OD1 2.91Å; N14-D16 PolarHBondContact ND2-OD2 2.78Å; N14-D16 WeakPolarHBondContact OD1-CB 3.5Å; N14-D16 PolarHBondContact OD1-N 2.99Å; N14-D16 VanDerWaalsContact OD1-N 3.14Å
15G78.8Confident84.8Confident33 Ų3349.8 Ų49.834%0.3427%0.269SS..SBendtrans86.1-0.7-176.400000114.9F12 P13F12-G15 PolarHBondContact O-N 2.96Å; P13-G15 VanDerWaalsContact C-N 3.34Å
16D83.8Confident85Confident17 Ų1753.7 Ų53.79%0.09129%0.287CS..  trans-60.1153.4169.5-66.1-11.4000109.2V11 F12 N14 F37 I38 G39 N40V11-D16 WeakPolarHBondContact CA-O 3.36Å; F12-D16 HydrophobicContact CB-CB 3.9Å; F12-D16 HydrophobicContact CD2-CB 3.91Å; F12-D16 WeakPolarHBondContact CD2-O 3.13Å; F12-D16 HydrophobicContact CG-CB 3.98Å; F12-D16 PolarHBondContact N-O 3.17Å; N14-D16 PolarHBondContact ND2-OD1 2.91Å; N14-D16 PolarHBondContact ND2-OD2 2.78Å; N14-D16 WeakPolarHBondContact OD1-CB 3.5Å; N14-D16 PolarHBondContact OD1-N 2.99Å; N14-D16 VanDerWaalsContact OD1-N 3.14Å; D16-F37 HydrophobicContact CB-CE1 3.97Å; D16-F37 HydrophobicContact CB-CZ 3.74Å; D16-I38 WeakPolarHBondContact CA-O 3.43Å; D16-I38 WeakPolarHBondContact CB-O 3.46Å; D16-G39 WeakPolarHBondContact OD1-CA 3.28Å; D16-N40 PolarHBondContact OD2-N 2.88Å
17Y83.2Confident84.5Confident15 Ų1555.6 Ų55.66%0.05931%0.307CS..EExtended strand (participates in β ladder)trans-132.1139.9-175.6175.5-101.5000111Q9 F10 V11 E19 F37 I38 Y58Q9-Y17 HydrophobicContact CB-CE2 4.2Å; Q9-Y17 WeakPolarHBondContact CG-OH 3.47Å; F10-Y17 WeakPolarHBondContact O-CA 3.38Å; F10-Y17 WeakPolarHBondContact O-CD2 3.34Å; V11-Y17 HydrophobicContact CG2-CD2 3.97Å; Y17-E19 HydrophobicContact CE1-CB 3.65Å; Y17-F37 CarbonylContact O-C 2.95Å; Y17-F37 VanDerWaalsContact O-CA 3.28Å; Y17-F37 WeakPolarHBondContact O-CA 3.37Å; Y17-I38 HydrophobicContact CD1-CD1 3.8Å; Y17-I38 HydrophobicContact CD1-CG1 4.39Å; Y17-I38 PolarHBondContact N-O 3.43Å; Y17-I38 PolarHBondContact O-N 3.12Å; Y17-Y58 HydrophobicContact CD1-CD2 4.37Å; Y17-Y58 AromaticContact CD2-CD2 3.85Å; Y17-Y58 HydrophobicContact CD2-CD2 3.85Å; Y17-Y58 HydrophobicContact CD2-CE2 4.34Å; Y17-Y58 HydrophobicContact CE2-CD2 4.26Å; Y17-Y58 AromaticContact CG-CD2 3.88Å; Y17-Y58 HydrophobicContact CG-CD2 3.88Å; Y17-Y58 HydrophobicContact CG-CE2 4.23Å
18Y86.7Confident84.3Confident0 Ų050.7 Ų50.70%029%0.293CS..EExtended strand (participates in β ladder)trans-129.7134.6171.2178.8-108.4000110.3Q9 F10 Q21 R31 K36 F37 M45 W97Q9-Y18 CarbonylContact C-O 3.52Å; Q9-Y18 WeakPolarHBondContact CA-O 3.4Å; F10-Y18 AromaticContact CD2-CD1 3.68Å; F10-Y18 HydrophobicContact CD2-CD1 3.68Å; F10-Y18 HydrophobicContact CD2-CE1 4.42Å; F10-Y18 HydrophobicContact CE2-CD1 4.17Å; F10-Y18 HydrophobicContact CE2-CE1 4.48Å; F10-Y18 PolarHBondContact N-O 3.35Å; F10-Y18 PolarHBondContact O-N 2.99Å; Y18-Q21 PolarHBondContact OH-N 2.83Å; Y18-Q21 PolarHBondContact OH-O 2.86Å; Y18-R31 HydrophobicContact CD1-CG 3.98Å; Y18-R31 HydrophobicContact CD2-CG 4.05Å; Y18-R31 HydrophobicContact CE1-CB 4.42Å; Y18-R31 HydrophobicContact CE1-CG 3.7Å; Y18-R31 HydrophobicContact CE2-CB 4.33Å; Y18-R31 HydrophobicContact CE2-CG 3.71Å; Y18-R31 HydrophobicContact CG-CG 4.18Å; Y18-K36 WeakPolarHBondContact CA-O 3.22Å; Y18-K36 WeakPolarHBondContact CD2-O 3.09Å; Y18-F37 HydrophobicContact CD2-CB 4.19Å; Y18-F37 AromaticContact CD2-CD2 3.9Å; Y18-F37 HydrophobicContact CD2-CD2 3.9Å; Y18-F37 HydrophobicContact CG-CD2 4.27Å; Y18-M45 HydrophobicContact CD1-SD 4.14Å; Y18-M45 HydrophobicContact CG-SD 4.4Å; Y18-W97 HydrophobicContact CE2-CZ2 4.45Å; Y18-W97 AromaticContact CE2-NE1 3.71Å
19E86.5Confident84.4Confident39 Ų3951.7 Ų51.718%0.18230%0.295CS..EExtended strand (participates in β ladder)trans-131.5122.6168.7173.2177.2-134.600108.9F7 G8 Q9 Y17 G35 K36F7-E19 HydrophobicContact CE1-CG 3.93Å; F7-E19 HydrophobicContact CE2-CG 4.43Å; F7-E19 HydrophobicContact CZ-CG 3.49Å; F7-E19 VanDerWaalsContact CZ-CG 3.49Å; G8-E19 WeakPolarHBondContact O-CA 3.19Å; Q9-E19 HydrophobicContact CG-CB 4.16Å; Q9-E19 HydrophobicContact CG-CG 3.89Å; Q9-E19 PolarHBondContact NE2-OE1 2.83Å; Y17-E19 HydrophobicContact CE1-CB 3.65Å; E19-G35 CarbonylContact O-C 3.51Å; E19-G35 VanDerWaalsContact O-CA 3.3Å; E19-G35 WeakPolarHBondContact O-CA 3.35Å; E19-K36 PolarHBondContact N-O 3.38Å; E19-K36 PolarHBondContact O-N 3.23Å
20G89.9Confident84.6Confident1 Ų148 Ų481%0.0128%0.279CS..EExtended strand (participates in β ladder)trans161.7-166.8178.800000114.1F7 G8 K34F7-G20 WeakPolarHBondContact CA-O 3.45Å; G8-G20 PolarHBondContact N-O 3.23Å; G8-G20 PolarHBondContact O-N 2.81Å; G20-K34 WeakPolarHBondContact CA-O 3.47Å
21Q92.7Very high85Confident48 Ų4847.6 Ų47.622%0.22428%0.278CS..EExtended strand (participates in β ladder)trans-73.2141.7179.2-67.3180-69.100111.6E5 L6 F7 Y18 H32 K34E5-Q21 PolarHBondContact OE2-NE2 2.89Å; L6-Q21 CarbonylContact O-C 3.44Å; L6-Q21 WeakPolarHBondContact O-CA 3.4Å; F7-Q21 HydrophobicContact CD2-CG 4.41Å; Y18-Q21 PolarHBondContact OH-N 2.83Å; Y18-Q21 PolarHBondContact OH-O 2.86Å; Q21-H32 CarbonylContact C-O 3.5Å; Q21-H32 WeakPolarHBondContact CA-O 3.39Å; Q21-H32 WeakPolarHBondContact CB-O 2.9Å; Q21-H32 PolarHBondContact O-N 3.05Å; Q21-H32 VanDerWaalsContact O-N 3.12Å; Q21-K34 PolarHBondContact N-O 3.46Å
22Y91.6Very high85.5Confident39 Ų3948 Ų4815%0.15328%0.277CS..EExtended strand (participates in β ladder)trans-147.1158.6177.273.4-85.7000110.5L6 F7 F10 I29 V30L6-Y22 HydrophobicContact CB-CD1 3.89Å; L6-Y22 HydrophobicContact CB-CD2 4.16Å; L6-Y22 HydrophobicContact CB-CE1 3.41Å; L6-Y22 VanDerWaalsContact CB-CE1 3.41Å; L6-Y22 HydrophobicContact CB-CE2 3.72Å; L6-Y22 HydrophobicContact CB-CG 4.24Å; L6-Y22 HydrophobicContact CD1-CD2 4.41Å; L6-Y22 HydrophobicContact CD1-CE2 3.54Å; L6-Y22 HydrophobicContact CG-CE2 4.25Å; L6-Y22 PolarHBondContact N-O 2.9Å; L6-Y22 WeakPolarHBondContact O-CD1 3.32Å; L6-Y22 PolarHBondContact O-N 3.1Å; F7-Y22 VanDerWaalsContact C-CE1 3.49Å; F10-Y22 AromaticContact CE2-CD1 3.73Å; F10-Y22 HydrophobicContact CE2-CD1 3.73Å; F10-Y22 HydrophobicContact CE2-CE1 4.04Å; F10-Y22 HydrophobicContact CE2-CG 4.2Å; F10-Y22 AromaticContact CZ-CD1 3.7Å; F10-Y22 HydrophobicContact CZ-CD1 3.7Å; F10-Y22 HydrophobicContact CZ-CD2 4.28Å; F10-Y22 AromaticContact CZ-CE1 3.66Å; F10-Y22 HydrophobicContact CZ-CE1 3.66Å; F10-Y22 HydrophobicContact CZ-CE2 4.26Å; F10-Y22 HydrophobicContact CZ-CG 4.01Å; F10-Y22 AromaticContact CZ-CZ 3.95Å; Y22-I29 HydrophobicContact CD2-CB 4.1Å; Y22-I29 HydrophobicContact CD2-CG2 3.83Å; Y22-I29 HydrophobicContact CE2-CG2 3.84Å; Y22-V30 VanDerWaalsContact CA-O 3.31Å; Y22-V30 WeakPolarHBondContact CA-O 3.44Å; Y22-V30 WeakPolarHBondContact CB-O 3.3Å
23V91.2Very high86.2Confident22 Ų2248.5 Ų48.513%0.13328%0.283CS..EExtended strand (participates in β ladder)trans-126.9153.5173.4-63.20000110G25 I29 V30 H32V23-G25 PolarHBondContact O-N 3.45Å; V23-I29 WeakPolarHBondContact O-CA 3.46Å; V23-V30 HydrophobicContact CG2-CG2 3.55Å; V23-V30 PolarHBondContact N-O 2.84Å; V23-V30 PolarHBondContact O-N 3.14Å; V23-H32 HydrophobicContact CB-CB 4.46Å; V23-H32 HydrophobicContact CG1-CB 3.95Å; V23-H32 HydrophobicContact CG2-CB 3.91Å
24M86.4Confident86.8Confident131 Ų13148.9 Ų48.965%0.64528%0.275SS*.EExtended strand (participates in β ladder)trans-82.4110.7170.4-166.966.468.300109.2I29M24-I29 HydrophobicContact CE-CG2 3.67Å; M24-I29 HydrophobicContact SD-CG2 3.8Å
25G81.1Confident87.5Confident31 Ų3145 Ų4532%0.3226%0.256SS..EExtended strand (participates in β ladder)trans-94175.5170.500000112.4V23 S27 G28V23-G25 PolarHBondContact O-N 3.45Å; G25-S27 PolarHBondContact O-N 3.48Å; G25-G28 CarbonylContact C-O 3.05Å; G25-G28 WeakPolarHBondContact CA-O 3.31Å; G25-G28 PolarHBondContact N-O 3.09Å; G25-G28 PolarHBondContact O-N 2.76Å; G25-G28 VanDerWaalsContact O-N 3.14Å
26E80.5Confident88Confident193 Ų19345.7 Ų45.790%0.90225%0.249SC*.THydrogen-bonded Turntrans-60.8-30.1179.6-64.5-177.5173.100113.4
27S80.2Confident88.2Confident111 Ų11145 Ų4578%0.77625%0.245SC*.THydrogen-bonded Turntrans-98.514-180-57.40000113.6G25G25-S27 PolarHBondContact O-N 3.48Å
28G84.5Confident88.3Confident29 Ų2944.3 Ų44.330%0.29924%0.243SC..EExtended strand (participates in β ladder)trans110.4-166-17500000113G25G25-G28 CarbonylContact C-O 3.05Å; G25-G28 WeakPolarHBondContact CA-O 3.31Å; G25-G28 PolarHBondContact N-O 3.09Å; G25-G28 PolarHBondContact O-N 2.76Å; G25-G28 VanDerWaalsContact O-N 3.14Å
29I87Confident88.2Confident33 Ų3344.8 Ų44.817%0.16925%0.248CC..EExtended strand (participates in β ladder)trans-68.2145.6-179.456.6164.6000111.5F10 Y22 V23 M24 M45F10-I29 HydrophobicContact CD1-CD1 3.86Å; F10-I29 HydrophobicContact CE1-CD1 3.38Å; F10-I29 HydrophobicContact CZ-CD1 3.89Å; Y22-I29 HydrophobicContact CD2-CB 4.1Å; Y22-I29 HydrophobicContact CD2-CG2 3.83Å; Y22-I29 HydrophobicContact CE2-CG2 3.84Å; V23-I29 WeakPolarHBondContact O-CA 3.46Å; M24-I29 HydrophobicContact CE-CG2 3.67Å; M24-I29 HydrophobicContact SD-CG2 3.8Å; I29-M45 HydrophobicContact CD1-CB 4.33Å; I29-M45 HydrophobicContact CG1-CB 4.04Å; I29-M45 VanDerWaalsContact O-CB 3.25Å; I29-M45 WeakPolarHBondContact O-CB 3.35Å
30V90.2Very high88Confident23 Ų2346.7 Ų46.714%0.13926%0.259CS..EExtended strand (participates in β ladder)trans-139146.2172.5-64.80000110Y22 V23Y22-V30 VanDerWaalsContact CA-O 3.31Å; Y22-V30 WeakPolarHBondContact CA-O 3.44Å; Y22-V30 WeakPolarHBondContact CB-O 3.3Å; V23-V30 HydrophobicContact CG2-CG2 3.55Å; V23-V30 PolarHBondContact N-O 2.84Å; V23-V30 PolarHBondContact O-N 3.14Å
31R92Very high87.4Confident2 Ų247.2 Ų47.21%0.00826%0.261CS..EExtended strand (participates in β ladder)trans-64.1135.7172.9-61.4168.2-71.4-159.12.1109.8Y18 F37 F41 K43 M45 W97 N99 D100Y18-R31 HydrophobicContact CD1-CG 3.98Å; Y18-R31 HydrophobicContact CD2-CG 4.05Å; Y18-R31 HydrophobicContact CE1-CB 4.42Å; Y18-R31 HydrophobicContact CE1-CG 3.7Å; Y18-R31 HydrophobicContact CE2-CB 4.33Å; Y18-R31 HydrophobicContact CE2-CG 3.71Å; Y18-R31 HydrophobicContact CG-CG 4.18Å; R31-F37 VanDerWaalsContact NH1-CD2 3.33Å; R31-F41 PolarHBondContact NH1-O 3.03Å; R31-K43 VanDerWaalsContact CZ-O 3.29Å; R31-K43 PolarHBondContact NH1-O 2.81Å; R31-K43 PolarHBondContact NH2-O 2.84Å; R31-M45 HydrophobicContact CG-CE 3.68Å; R31-M45 HydrophobicContact CG-CG 3.72Å; R31-M45 HydrophobicContact CG-SD 3.63Å; R31-W97 HydrophobicContact CB-CB 3.79Å; R31-W97 HydrophobicContact CB-CD2 3.9Å; R31-W97 HydrophobicContact CB-CE3 4.04Å; R31-W97 HydrophobicContact CB-CG 3.83Å; R31-W97 HydrophobicContact CG-CD2 4.43Å; R31-W97 VanDerWaalsContact CZ-CH2 3.49Å; R31-W97 VanDerWaalsContact NE-CZ3 3.29Å; R31-W97 VanDerWaalsContact NH1-CZ3 3.34Å; R31-N99 PolarHBondContact O-N 3.16Å; R31-N99 VanDerWaalsContact O-N 3.14Å; R31-D100 WeakPolarHBondContact CB-OD1 3.23Å; R31-D100 WeakPolarHBondContact CG-OD1 3.32Å; R31-D100 IonicContact CZ-OD1 2.77Å; R31-D100 PolarHBondContact N-OD1 2.99Å; R31-D100 IonicContact NE-OD1 3.91Å; R31-D100 PolarHBondContact NE-OD1 2.92Å; R31-D100 PolarHBondContact NH2-O 2.96Å; R31-D100 IonicContact NH2-OD1 2.77Å; R31-D100 PolarHBondContact O-N 2.89Å
32H93.5Very high86.5Confident51 Ų5152.3 Ų52.324%0.23628%0.279CS..EExtended strand (participates in β ladder)trans-151.5148.5179.2-166.386.4000109.5E5 Q21 V23 W97E5-H32 IonicContact OE1-CD2 2.96Å; Q21-H32 CarbonylContact C-O 3.5Å; Q21-H32 WeakPolarHBondContact CA-O 3.39Å; Q21-H32 WeakPolarHBondContact CB-O 2.9Å; Q21-H32 PolarHBondContact O-N 3.05Å; Q21-H32 VanDerWaalsContact O-N 3.12Å; V23-H32 HydrophobicContact CB-CB 4.46Å; V23-H32 HydrophobicContact CG1-CB 3.95Å; V23-H32 HydrophobicContact CG2-CB 3.91Å; H32-W97 CarbonylContact C-O 3.54Å; H32-W97 VanDerWaalsContact CA-O 3.3Å; H32-W97 WeakPolarHBondContact CA-O 3.37Å
33G94.3Very high85.9Confident15 Ų1554.2 Ų54.216%0.15529%0.287CS..EExtended strand (participates in β ladder)trans70.7-148.5-178.300000112.4E96 W97G33-E96 CarbonylContact O-C 3.51Å; G33-E96 WeakPolarHBondContact O-CA 3.46Å; G33-W97 PolarHBondContact N-O 3.19Å; G33-W97 PolarHBondContact O-N 2.99Å
34K93.3Very high85.4Confident106 Ų10659.6 Ų59.646%0.46131%0.305SS..EExtended strand (participates in β ladder)trans-86136.3-176.9-62.4-69.9-178.8174.50111.5G20 Q21 G95 E96G20-K34 WeakPolarHBondContact CA-O 3.47Å; Q21-K34 PolarHBondContact N-O 3.46Å; K34-G95 WeakPolarHBondContact CA-O 3.36Å; K34-E96 HydrophobicContact CD-CG 3.55Å; K34-E96 IonicContact NZ-OE1 3.77Å; K34-E96 PolarHBondContact NZ-OE1 3.02Å
35G91Very high84.9Confident7 Ų753.5 Ų53.57%0.07228%0.275CS..EExtended strand (participates in β ladder)trans-166.2160.4173.600000114.4E19 G95 W97E19-G35 CarbonylContact O-C 3.51Å; E19-G35 VanDerWaalsContact O-CA 3.3Å; E19-G35 WeakPolarHBondContact O-CA 3.35Å; G35-G95 PolarHBondContact N-O 2.82Å; G35-G95 PolarHBondContact O-N 3.46Å; G35-W97 PolarHBondContact O-NE1 3.14Å
36K88.4Confident84.6Confident47 Ų4755 Ų5520%0.20428%0.281CS..EExtended strand (participates in β ladder)trans-106.5136.7177.4-62.7177.6177.3-178.80109.6Y18 E19 L61 Y92 Y93Y18-K36 WeakPolarHBondContact CA-O 3.22Å; Y18-K36 WeakPolarHBondContact CD2-O 3.09Å; E19-K36 PolarHBondContact N-O 3.38Å; E19-K36 PolarHBondContact O-N 3.23Å; K36-L61 PolarHBondContact NZ-O 2.97Å; K36-L61 VanDerWaalsContact NZ-O 3.17Å; K36-Y92 HydrophobicContact CB-CE2 4.3Å; K36-Y93 CarbonylContact C-O 3.43Å; K36-Y93 VanDerWaalsContact CA-O 3.22Å; K36-Y93 WeakPolarHBondContact CA-O 3.25Å
37F88.3Confident84.3Confident1 Ų149.2 Ų49.20%0.00426%0.256CS..EExtended strand (participates in β ladder)trans-131.4135.3176.2-167.7-77.4000110F12 D16 Y17 Y18 R31 N40 F41 K43 M45 Y92 Y93 W97F12-F37 HydrophobicContact CD2-CE2 4.35Å; F12-F37 HydrophobicContact CD2-CZ 4.47Å; F12-F37 AromaticContact CE2-CE2 3.83Å; F12-F37 HydrophobicContact CE2-CE2 3.83Å; F12-F37 HydrophobicContact CE2-CZ 4.36Å; F12-F37 HydrophobicContact CZ-CE2 4.25Å; D16-F37 HydrophobicContact CB-CE1 3.97Å; D16-F37 HydrophobicContact CB-CZ 3.74Å; Y17-F37 CarbonylContact O-C 2.95Å; Y17-F37 VanDerWaalsContact O-CA 3.28Å; Y17-F37 WeakPolarHBondContact O-CA 3.37Å; Y18-F37 HydrophobicContact CD2-CB 4.19Å; Y18-F37 AromaticContact CD2-CD2 3.9Å; Y18-F37 HydrophobicContact CD2-CD2 3.9Å; Y18-F37 HydrophobicContact CG-CD2 4.27Å; R31-F37 VanDerWaalsContact NH1-CD2 3.33Å; F37-N40 WeakPolarHBondContact CE1-O 3.35Å; F37-F41 HydrophobicContact CD1-CB 3.95Å; F37-F41 HydrophobicContact CE1-CB 4.45Å; F37-F41 HydrophobicContact CG-CB 4.36Å; F37-K43 HydrophobicContact CZ-CB 4.25Å; F37-M45 HydrophobicContact CE2-CE 4.11Å; F37-Y92 CarbonylContact O-C 3.54Å; F37-Y92 WeakPolarHBondContact O-CA 3.38Å; F37-Y93 PolarHBondContact N-O 2.93Å; F37-Y93 PolarHBondContact O-N 2.74Å; F37-W97 HydrophobicContact CB-CH2 4.27Å; F37-W97 HydrophobicContact CB-CZ2 3.73Å; F37-W97 HydrophobicContact CG-CZ2 4.39Å
38I85.8Confident83.7Confident2 Ų244.8 Ų44.81%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-119.1128.3175.9-57.5165.6000107.9D16 Y17 Y58 L61 L87 Q90 G91 Y92D16-I38 WeakPolarHBondContact CA-O 3.43Å; D16-I38 WeakPolarHBondContact CB-O 3.46Å; Y17-I38 HydrophobicContact CD1-CD1 3.8Å; Y17-I38 HydrophobicContact CD1-CG1 4.39Å; Y17-I38 PolarHBondContact N-O 3.43Å; Y17-I38 PolarHBondContact O-N 3.12Å; I38-Y58 HydrophobicContact CD1-CD1 4.34Å; I38-L61 HydrophobicContact CD1-CD1 3.28Å; I38-L61 HydrophobicContact CD1-CD2 3.6Å; I38-L61 HydrophobicContact CD1-CG 4Å; I38-L61 HydrophobicContact CG1-CD2 4.37Å; I38-L87 HydrophobicContact CD1-CD1 4.49Å; I38-L87 HydrophobicContact CG1-CD1 4.33Å; I38-L87 HydrophobicContact CG2-CD1 3.96Å; I38-L87 HydrophobicContact CG2-CD2 3.7Å; I38-L87 HydrophobicContact CG2-CG 4.48Å; I38-Q90 HydrophobicContact CG2-CB 4.32Å; I38-G91 WeakPolarHBondContact CA-O 3.35Å; I38-Y92 HydrophobicContact CG1-CD2 3.93Å; I38-Y92 HydrophobicContact CG1-CE2 4.46Å
39G84.5Confident82.6Confident10 Ų1049 Ų4910%0.10324%0.244CC..SBendtrans111.8-143-177.100000112.5D16 F41 G91D16-G39 WeakPolarHBondContact OD1-CA 3.28Å; G39-F41 PolarHBondContact O-N 2.75Å; G39-G91 PolarHBondContact N-O 3.08Å
40N80.8Confident81Confident78 Ų7853.7 Ų53.742%0.41727%0.268SS..  trans-87.594.7179.1-172.6-21.8000111.5D16 F37 R42 K43D16-N40 PolarHBondContact OD2-N 2.88Å; F37-N40 WeakPolarHBondContact CE1-O 3.35Å; N40-R42 PolarHBondContact O-N 2.8Å; N40-R42 WeakPolarHBondContact OD1-CB 3.01Å; N40-R42 PolarHBondContact OD1-N 3.01Å; N40-R42 VanDerWaalsContact OD1-N 3.14Å; N40-K43 HydrophobicContact CB-CG 4.13Å; N40-K43 VanDerWaalsContact O-CB 3.32Å; N40-K43 WeakPolarHBondContact O-CB 3.07Å; N40-K43 VanDerWaalsContact O-CG 3.23Å; N40-K43 WeakPolarHBondContact O-CG 3.34Å; N40-K43 PolarHBondContact O-N 3.02Å
41F78.5Confident79.2Confident13 Ų1354.6 Ų54.66%0.05728%0.276CS..THydrogen-bonded Turntrans-58.2-15.7-177.255.9-99.4000115.2R31 F37 G39 K43 W97 I102 V108 F110 E178R31-F41 PolarHBondContact NH1-O 3.03Å; F37-F41 HydrophobicContact CD1-CB 3.95Å; F37-F41 HydrophobicContact CE1-CB 4.45Å; F37-F41 HydrophobicContact CG-CB 4.36Å; G39-F41 PolarHBondContact O-N 2.75Å; F41-K43 PolarHBondContact O-N 3.12Å; F41-W97 HydrophobicContact CB-CH2 4.11Å; F41-I102 HydrophobicContact CB-CD1 4.11Å; F41-I102 HydrophobicContact CD2-CD1 3.49Å; F41-I102 VanDerWaalsContact CD2-CD1 3.49Å; F41-I102 HydrophobicContact CE2-CD1 4.09Å; F41-I102 HydrophobicContact CG-CD1 3.9Å; F41-V108 HydrophobicContact CD1-CG2 4.38Å; F41-V108 HydrophobicContact CE1-CG2 3.9Å; F41-V108 HydrophobicContact CZ-CG2 4.46Å; F41-F110 HydrophobicContact CE1-CD1 4.32Å; F41-F110 HydrophobicContact CE1-CE1 4.36Å; F41-F110 HydrophobicContact CZ-CD1 4.45Å; F41-F110 HydrophobicContact CZ-CE1 4.15Å; F41-E178 WeakPolarHBondContact CZ-OE1 3.41Å
42R73.9Confident77.1Confident155 Ų15561 Ų6159%0.58531%0.31SS*.THydrogen-bonded Turntrans-73.4-8.4173.2-56.6-169.1-172.8173.96.1113.9N40 E178N40-R42 PolarHBondContact O-N 2.8Å; N40-R42 WeakPolarHBondContact OD1-CB 3.01Å; N40-R42 PolarHBondContact OD1-N 3.01Å; N40-R42 VanDerWaalsContact OD1-N 3.14Å; R42-E178 IonicContact CZ-OE1 3.37Å; R42-E178 IonicContact CZ-OE2 3.32Å; R42-E178 IonicContact NE-OE1 3.67Å; R42-E178 PolarHBondContact NE-OE1 3.07Å; R42-E178 VanDerWaalsContact NH2-CD 3.26Å; R42-E178 IonicContact NH2-OE1 2.69Å; R42-E178 PolarHBondContact NH2-OE1 3.12Å; R42-E178 IonicContact NH2-OE2 2.71Å; R42-E178 PolarHBondContact NH2-OE2 2.89Å
43K78.1Confident74.7Confident78 Ų7862.9 Ų62.934%0.33933%0.33SS..  trans-65.8145.9173.7-69.1-66.5-171.7172.70111.2R31 F37 N40 F41R31-K43 VanDerWaalsContact CZ-O 3.29Å; R31-K43 PolarHBondContact NH1-O 2.81Å; R31-K43 PolarHBondContact NH2-O 2.84Å; F37-K43 HydrophobicContact CZ-CB 4.25Å; N40-K43 HydrophobicContact CB-CG 4.13Å; N40-K43 VanDerWaalsContact O-CB 3.32Å; N40-K43 WeakPolarHBondContact O-CB 3.07Å; N40-K43 VanDerWaalsContact O-CG 3.23Å; N40-K43 WeakPolarHBondContact O-CG 3.34Å; N40-K43 PolarHBondContact O-N 3.02Å; F41-K43 PolarHBondContact O-N 3.12Å
44R80.2Confident72.4Confident135 Ų13566.5 Ų66.551%0.50935%0.345SS..  trans-98.5148.8-178-65-176.266.3-143.8-0.8110.3F12 S46 D47F12-R44 WeakPolarHBondContact CE1-O 3.35Å; R44-S46 WeakPolarHBondContact CB-OG 3.41Å; R44-S46 PolarHBondContact O-N 2.93Å; R44-S46 VanDerWaalsContact O-N 3.12Å; R44-D47 WeakPolarHBondContact O-CB 3.38Å; R44-D47 PolarHBondContact O-N 2.81Å
45M77.9Confident70.2Confident3 Ų366.5 Ų66.52%0.01536%0.358CS..G310 helixtrans-62.9-21176.7-68.1-51.691.800113.3F12 Y18 I29 R31 F37 D47 V48 D100F12-M45 HydrophobicContact CE1-CE 3.94Å; F12-M45 HydrophobicContact CE2-CE 3.84Å; F12-M45 HydrophobicContact CE2-SD 4.22Å; F12-M45 HydrophobicContact CZ-CE 3.1Å; F12-M45 HydrophobicContact CZ-SD 3.56Å; F12-M45 VanDerWaalsContact CZ-SD 3.56Å; Y18-M45 HydrophobicContact CD1-SD 4.14Å; Y18-M45 HydrophobicContact CG-SD 4.4Å; I29-M45 HydrophobicContact CD1-CB 4.33Å; I29-M45 HydrophobicContact CG1-CB 4.04Å; I29-M45 VanDerWaalsContact O-CB 3.25Å; I29-M45 WeakPolarHBondContact O-CB 3.35Å; R31-M45 HydrophobicContact CG-CE 3.68Å; R31-M45 HydrophobicContact CG-CG 3.72Å; R31-M45 HydrophobicContact CG-SD 3.63Å; F37-M45 HydrophobicContact CE2-CE 4.11Å; M45-D47 PolarHBondContact O-N 3.13Å; M45-D47 VanDerWaalsContact O-N 3.07Å; M45-V48 WeakPolarHBondContact O-CB 3.06Å; M45-V48 WeakPolarHBondContact O-CG2 3.18Å; M45-V48 PolarHBondContact O-N 2.9Å; M45-D100 VanDerWaalsContact CG-OD1 3.29Å; M45-D100 WeakPolarHBondContact CG-OD1 3.27Å; M45-D100 PolarHBondContact N-OD2 3.35Å
46S74.4Confident68.1Low63 Ų6372.7 Ų72.744%0.44139%0.385SS..G310 helixtrans-58.1-18.8172.558.10000113.8R44 V48R44-S46 WeakPolarHBondContact CB-OG 3.41Å; R44-S46 PolarHBondContact O-N 2.93Å; R44-S46 VanDerWaalsContact O-N 3.12Å; S46-V48 VanDerWaalsContact C-N 3.27Å
47D73.6Confident66.1Low72 Ų7275.4 Ų75.439%0.38541%0.408SS..G310 helixtrans-81.2-5.1178.4-57.7-15.7000112.4F12 P13 R44 M45F12-D47 HydrophobicContact CD1-CB 4.09Å; F12-D47 HydrophobicContact CE1-CB 4.21Å; P13-D47 WeakPolarHBondContact CD-O 3.41Å; P13-D47 WeakPolarHBondContact CG-O 3.39Å; R44-D47 WeakPolarHBondContact O-CB 3.38Å; R44-D47 PolarHBondContact O-N 2.81Å; M45-D47 PolarHBondContact O-N 3.13Å; M45-D47 VanDerWaalsContact O-N 3.07Å
48V67Low64.1Low18 Ų1879.1 Ų79.111%0.10942%0.422CS..  trans-82.8117.9178.7-175.90000110.8F10 F12 M45 S46 I50F10-V48 HydrophobicContact CB-CG2 4.47Å; F10-V48 HydrophobicContact CD1-CG1 4.4Å; F12-V48 HydrophobicContact CD1-CG2 3.77Å; F12-V48 HydrophobicContact CD2-CG2 4.26Å; F12-V48 HydrophobicContact CE1-CG2 3.22Å; F12-V48 HydrophobicContact CE2-CG2 3.77Å; F12-V48 HydrophobicContact CG-CG2 4.19Å; F12-V48 HydrophobicContact CZ-CG2 3.13Å; M45-V48 WeakPolarHBondContact O-CB 3.06Å; M45-V48 WeakPolarHBondContact O-CG2 3.18Å; M45-V48 PolarHBondContact O-N 2.9Å; S46-V48 VanDerWaalsContact C-N 3.27Å; V48-I50 PolarHBondContact O-N 3.32Å
49T62.2Low62.1Low116 Ų11687 Ų8771%0.71246%0.457SS*.  trans-78.6108.1159-50.70000107.1S51T49-S51 PolarHBondContact O-N 3.3Å
50I54.3Low60.2Low132 Ų13290.2 Ų90.268%0.67748%0.477SS*.  trans-43.3104-171.2-56.9170.2000111.4V48 N52V48-I50 PolarHBondContact O-N 3.32Å; I50-N52 HydrophobicContact CG2-CB 4.43Å
51S52.1Low58.4Low43 Ų4387.2 Ų87.230%0.30146%0.461SS..  trans-107.292.915660.90000107.1T49 S53T49-S51 PolarHBondContact O-N 3.3Å; S51-S53 PolarHBondContact O-N 3.41Å
52N46.3Very low56.8Low135 Ų13589.6 Ų89.672%0.72248%0.479SS*.  trans-71.525.4167.8-82.1-3.6000111.9I50I50-N52 HydrophobicContact CG2-CB 4.43Å
53S44.6Very low55.4Low92 Ų9287.2 Ų87.264%0.64348%0.478SS*.  trans-16396.9-172.8169.90000110.2S51S51-S53 PolarHBondContact O-N 3.41Å
54L46.4Very low53.8Low91 Ų9184.1 Ų84.148%0.47647%0.465SS..  trans-140.9116.8143.4-78.8179.5000110.4V11 Q56V11-L54 HydrophobicContact CG2-CD1 4.34Å; L54-Q56 VanDerWaalsContact C-N 3.3Å; L54-Q56 HydrophobicContact CB-CB 4.46Å; L54-Q56 PolarHBondContact O-N 3.32Å
55S45.9Very low51.9Low106 Ų10681.8 Ų81.874%0.74146%0.462SS*.  trans-71.586.114755.50000108.3
56Q47.3Very low50Low137 Ų13784.2 Ų84.264%0.6448%0.478SS*.  trans-143.2154.2167.3-81.6-143.213.700111.6L54 Y58L54-Q56 VanDerWaalsContact C-N 3.3Å; L54-Q56 HydrophobicContact CB-CB 4.46Å; L54-Q56 PolarHBondContact O-N 3.32Å; Q56-Y58 VanDerWaalsContact C-N 3.33Å; Q56-Y58 PolarHBondContact O-N 3.38Å
57P46.6Very low48.1Very low104 Ų10488.9 Ų88.968%0.67549%0.493SS*.SBendtrans-92.939.3-131.838.8-38.3000114K59P57-K59 PolarHBondContact O-N 2.83Å; P57-K59 VanDerWaalsContact O-N 3.1Å
58Y45Very low46.3Very low78 Ų7888.6 Ų88.631%0.30650%0.495SS..G310 helixtrans-68.72.5160.9-68.8-55.3000112.1Y17 I38 Q56 S60 L61Y17-Y58 HydrophobicContact CD1-CD2 4.37Å; Y17-Y58 AromaticContact CD2-CD2 3.85Å; Y17-Y58 HydrophobicContact CD2-CD2 3.85Å; Y17-Y58 HydrophobicContact CD2-CE2 4.34Å; Y17-Y58 HydrophobicContact CE2-CD2 4.26Å; Y17-Y58 AromaticContact CG-CD2 3.88Å; Y17-Y58 HydrophobicContact CG-CD2 3.88Å; Y17-Y58 HydrophobicContact CG-CE2 4.23Å; I38-Y58 HydrophobicContact CD1-CD1 4.34Å; Q56-Y58 VanDerWaalsContact C-N 3.33Å; Q56-Y58 PolarHBondContact O-N 3.38Å; Y58-S60 PolarHBondContact O-N 3.31Å; Y58-L61 VanDerWaalsContact CB-CD1 3.45Å; Y58-L61 HydrophobicContact CD1-CD1 3.23Å; Y58-L61 HydrophobicContact CE1-CD1 4.23Å; Y58-L61 HydrophobicContact CG-CD1 3.67Å; Y58-L61 VanDerWaalsContact O-CB 3.32Å; Y58-L61 WeakPolarHBondContact O-CB 3.46Å; Y58-L61 PolarHBondContact O-N 2.83Å
59K44.1Very low45Very low169 Ų16992.1 Ų92.174%0.73551%0.513SS*.G310 helixtrans-46-26.6174.6-73.1-170.6174.1-173.70114.1P57 L61 S62P57-K59 PolarHBondContact O-N 2.83Å; P57-K59 VanDerWaalsContact O-N 3.1Å; K59-L61 VanDerWaalsContact C-N 3.34Å; K59-S62 PolarHBondContact O-OG 3.33Å
60S45.6Very low43.8Very low77 Ų7795.1 Ų95.154%0.53853%0.525SS..G310 helixtrans-83.72.1177.2-156.10000115.1Y58Y58-S60 PolarHBondContact O-N 3.31Å
61L43.6Very low42.8Very low15 Ų1591 Ų918%0.07952%0.515CS..G310 helixtrans-88.9-10.8175.5-80.2136000113.9K36 I38 Y58 K59 D63 I64 L87K36-L61 PolarHBondContact NZ-O 2.97Å; K36-L61 VanDerWaalsContact NZ-O 3.17Å; I38-L61 HydrophobicContact CD1-CD1 3.28Å; I38-L61 HydrophobicContact CD1-CD2 3.6Å; I38-L61 HydrophobicContact CD1-CG 4Å; I38-L61 HydrophobicContact CG1-CD2 4.37Å; Y58-L61 VanDerWaalsContact CB-CD1 3.45Å; Y58-L61 HydrophobicContact CD1-CD1 3.23Å; Y58-L61 HydrophobicContact CE1-CD1 4.23Å; Y58-L61 HydrophobicContact CG-CD1 3.67Å; Y58-L61 VanDerWaalsContact O-CB 3.32Å; Y58-L61 WeakPolarHBondContact O-CB 3.46Å; Y58-L61 PolarHBondContact O-N 2.83Å; K59-L61 VanDerWaalsContact C-N 3.34Å; L61-D63 PolarHBondContact O-N 3.14Å; L61-I64 HydrophobicContact CD2-CD1 3.52Å; L61-I64 HydrophobicContact CD2-CG1 4.2Å; L61-I64 HydrophobicContact CG-CD1 4.42Å; L61-I64 PolarHBondContact O-N 3.16Å; L61-L87 HydrophobicContact CD2-CD1 3.99Å
62S44.8Very low42.7Very low63 Ų6397.1 Ų97.144%0.44154%0.544SS..THydrogen-bonded Turntrans-56.6-28.2166.555.30000110.9K59K59-S62 PolarHBondContact O-OG 3.33Å
63D42.6Very low42.5Very low104 Ų10497.9 Ų97.956%0.55655%0.549SS*.THydrogen-bonded Turntrans-94.21.3-175.4-55.1-40.5000115.5L61 I65L61-D63 PolarHBondContact O-N 3.14Å; D63-I65 PolarHBondContact O-N 2.92Å
64I46Very low42.9Very low14 Ų1497.3 Ų97.37%0.07253%0.534CS..  trans-79.657.8165.3-43.4-174.1000109L61 L82 F83L61-I64 HydrophobicContact CD2-CD1 3.52Å; L61-I64 HydrophobicContact CD2-CG1 4.2Å; L61-I64 HydrophobicContact CG-CD1 4.42Å; L61-I64 PolarHBondContact O-N 3.16Å; I64-L82 HydrophobicContact CG2-CD2 4.18Å; I64-F83 HydrophobicContact CB-CE1 4.39Å; I64-F83 HydrophobicContact CD1-CD1 3.99Å; I64-F83 HydrophobicContact CD1-CE1 3.94Å; I64-F83 HydrophobicContact CG2-CD1 4.13Å; I64-F83 HydrophobicContact CG2-CE1 3.47Å; I64-F83 VanDerWaalsContact CG2-CE1 3.47Å; I64-F83 HydrophobicContact CG2-CE2 3.98Å; I64-F83 HydrophobicContact CG2-CZ 3.36Å
65I40.7Very low43Very low86 Ų8697.7 Ų97.744%0.44154%0.537SS..  trans-82.3129.7163.1-49.3173.3000104.1D63 E67D63-I65 PolarHBondContact O-N 2.92Å; I65-E67 HydrophobicContact CB-CG 4.11Å; I65-E67 HydrophobicContact CG2-CG 3.7Å; I65-E67 PolarHBondContact O-N 2.72Å
66P37.7Very low43.3Very low53 Ų5393.5 Ų93.534%0.34451%0.507SS..  trans-66.481.515211.80.5000106.8C68 L79P66-C68 PolarHBondContact O-N 2.75Å; P66-C68 VanDerWaalsContact O-N 3.08Å; P66-L79 HydrophobicContact CB-CD2 4.35Å
67E34.2Very low43.4Very low162 Ų16288.9 Ų88.976%0.75749%0.49SS*.  trans-77.759.9155.3-78-168.8169.200108I65I65-E67 HydrophobicContact CB-CG 4.11Å; I65-E67 HydrophobicContact CG2-CG 3.7Å; I65-E67 PolarHBondContact O-N 2.72Å
68C34.9Very low43.6Very low65 Ų6587.8 Ų87.844%0.43948%0.481SS..  trans-165.2103.6175.3-73.10000104.8P66 F74P66-C68 PolarHBondContact O-N 2.75Å; P66-C68 VanDerWaalsContact O-N 3.08Å; C68-F74 HydrophobicContact CB-CD2 4.13Å; C68-F74 HydrophobicContact CB-CE2 3.44Å; C68-F74 VanDerWaalsContact CB-CE2 3.44Å; C68-F74 HydrophobicContact CB-CZ 4.19Å
69L40.8Very low44Very low93 Ų9385 Ų8549%0.48747%0.472SS..  cis-160.7136.930.5-78.7146.7000111.1G71 N73 F74L69-G71 WeakPolarHBondContact CB-O 3.3Å; L69-N73 WeakPolarHBondContact CD1-O 3.36Å; L69-F74 HydrophobicContact CD1-CB 3.44Å; L69-F74 VanDerWaalsContact CD1-CB 3.44Å; L69-F74 HydrophobicContact CD1-CD2 3.3Å; L69-F74 HydrophobicContact CD1-CE2 4.27Å; L69-F74 HydrophobicContact CD1-CG 3.74Å; L69-F74 HydrophobicContact CG-CD2 4.2Å
70N36.2Very low44.4Very low179 Ų17978.3 Ų78.396%0.95745%0.446SS*.SBend-84.8112126.9-73.6-55.6000105.9
71G34.5Very low44.8Very low45 Ų4578.9 Ų78.946%0.46444%0.443SS..SBendtrans145.7126.5178.300000112.3L69 N73L69-G71 WeakPolarHBondContact CB-O 3.3Å; G71-N73 PolarHBondContact O-N 2.92Å
72D49.2Very low45.4Very low171 Ų17181.4 Ų81.491%0.91446%0.456SS*.SBendtrans-69.236.3-164.3-61.5-55.5000117.1
73N42.2Very low46.1Very low152 Ų15279 Ų7981%0.81344%0.438SS*.  trans-157.9105.6177.4-95.5-28.4000111.5L69 G71L69-N73 WeakPolarHBondContact CD1-O 3.36Å; G71-N73 PolarHBondContact O-N 2.92Å
74F52.5Low46.8Very low79 Ų7977.8 Ų77.835%0.34643%0.434SS..  trans-116.1128.3170.4-160.1-127000112.8C68 L69 V76 L79C68-F74 HydrophobicContact CB-CD2 4.13Å; C68-F74 HydrophobicContact CB-CE2 3.44Å; C68-F74 VanDerWaalsContact CB-CE2 3.44Å; C68-F74 HydrophobicContact CB-CZ 4.19Å; L69-F74 HydrophobicContact CD1-CB 3.44Å; L69-F74 VanDerWaalsContact CD1-CB 3.44Å; L69-F74 HydrophobicContact CD1-CD2 3.3Å; L69-F74 HydrophobicContact CD1-CE2 4.27Å; L69-F74 HydrophobicContact CD1-CG 3.74Å; L69-F74 HydrophobicContact CG-CD2 4.2Å; F74-V76 HydrophobicContact CD1-CG2 3.92Å; F74-V76 HydrophobicContact CE1-CG2 4.22Å; F74-L79 HydrophobicContact CE1-CD1 3.44Å; F74-L79 VanDerWaalsContact CE1-CD1 3.44Å; F74-L79 HydrophobicContact CE1-CG 3.67Å; F74-L79 HydrophobicContact CZ-CD1 3.59Å; F74-L79 HydrophobicContact CZ-CD2 3.86Å; F74-L79 HydrophobicContact CZ-CG 3.37Å
75D48.6Very low47.4Very low99 Ų9984.6 Ų84.653%0.52947%0.465SS..  trans-98.4113.7161.9-173.2-2.6000108.8S77 T78D75-S77 VanDerWaalsContact CG-CB 3.5Å; D75-S77 PolarHBondContact O-N 2.96Å; D75-S77 WeakPolarHBondContact OD1-CB 3.39Å; D75-S77 PolarHBondContact OD1-N 2.85Å; D75-S77 PolarHBondContact OD1-OG 2.8Å; D75-S77 WeakPolarHBondContact OD2-CB 3.36Å; D75-S77 PolarHBondContact OD2-OG 3.47Å; D75-T78 PolarHBondContact O-N 2.99Å; D75-T78 VanDerWaalsContact O-N 3.16Å
76V52.1Low48.2Very low18 Ų1884.6 Ų84.611%0.10947%0.466CS..THydrogen-bonded Turntrans-63.7-18.9178.4175.70000111.1F74 T78 L79 C80 Y132F74-V76 HydrophobicContact CD1-CG2 3.92Å; F74-V76 HydrophobicContact CE1-CG2 4.22Å; V76-T78 PolarHBondContact O-N 3.34Å; V76-T78 VanDerWaalsContact O-N 3.16Å; V76-L79 PolarHBondContact O-N 3.02Å; V76-L79 VanDerWaalsContact O-N 3.16Å; V76-C80 PolarHBondContact O-N 2.96Å; V76-C80 VanDerWaalsContact O-N 3.08Å; V76-Y132 HydrophobicContact CB-CD1 4.17Å; V76-Y132 HydrophobicContact CG1-CD1 3.97Å; V76-Y132 HydrophobicContact CG1-CG 4.22Å; V76-Y132 HydrophobicContact CG2-CD1 3.28Å; V76-Y132 HydrophobicContact CG2-CE1 3.39Å; V76-Y132 HydrophobicContact CG2-CG 4.28Å
77S48.7Very low49.5Very low41 Ų4182.3 Ų82.329%0.28745%0.451SS..Hα-helixtrans-49.6-38.7171.175.70000111.4D75 L79 C80 D81D75-S77 VanDerWaalsContact CG-CB 3.5Å; D75-S77 PolarHBondContact O-N 2.96Å; D75-S77 WeakPolarHBondContact OD1-CB 3.39Å; D75-S77 PolarHBondContact OD1-N 2.85Å; D75-S77 PolarHBondContact OD1-OG 2.8Å; D75-S77 WeakPolarHBondContact OD2-CB 3.36Å; D75-S77 PolarHBondContact OD2-OG 3.47Å; S77-L79 PolarHBondContact O-N 3.42Å; S77-C80 CarbonylContact O-C 3.47Å; S77-C80 WeakPolarHBondContact O-CB 3.33Å; S77-C80 PolarHBondContact O-N 3.05Å; S77-D81 WeakPolarHBondContact O-CB 3.32Å; S77-D81 PolarHBondContact O-N 3.04Å
78T52.5Low51Low80 Ų8078.2 Ų78.249%0.49144%0.438SS..Hα-helixtrans-71.6-34-175.1-50.70000112.6D75 V76 L82D75-T78 PolarHBondContact O-N 2.99Å; D75-T78 VanDerWaalsContact O-N 3.16Å; V76-T78 PolarHBondContact O-N 3.34Å; V76-T78 VanDerWaalsContact O-N 3.16Å; T78-L82 PolarHBondContact O-N 2.73Å; T78-L82 VanDerWaalsContact O-N 3.13Å
79L53.2Low52.8Low21 Ų2181.9 Ų81.911%0.1145%0.454CS..Hα-helixtrans-67.4-47.7169.9-66.7178.3000110.1P66 F74 V76 S77 D81 L82 F83P66-L79 HydrophobicContact CB-CD2 4.35Å; F74-L79 HydrophobicContact CE1-CD1 3.44Å; F74-L79 VanDerWaalsContact CE1-CD1 3.44Å; F74-L79 HydrophobicContact CE1-CG 3.67Å; F74-L79 HydrophobicContact CZ-CD1 3.59Å; F74-L79 HydrophobicContact CZ-CD2 3.86Å; F74-L79 HydrophobicContact CZ-CG 3.37Å; V76-L79 PolarHBondContact O-N 3.02Å; V76-L79 VanDerWaalsContact O-N 3.16Å; S77-L79 PolarHBondContact O-N 3.42Å; L79-D81 VanDerWaalsContact C-N 3.27Å; L79-D81 PolarHBondContact O-N 2.74Å; L79-L82 PolarHBondContact O-N 2.84Å; L79-F83 HydrophobicContact CB-CD2 4.2Å; L79-F83 HydrophobicContact CB-CE2 4.34Å; L79-F83 WeakPolarHBondContact O-CB 3.22Å; L79-F83 WeakPolarHBondContact O-CD2 3.4Å; L79-F83 PolarHBondContact O-N 3.18Å
80C51.2Low54.6Low27 Ų2780.7 Ų80.718%0.18245%0.445CS..Hα-helixtrans-55.9-45178.4-73.80000110.7V76 S77 F83 V84V76-C80 PolarHBondContact O-N 2.96Å; V76-C80 VanDerWaalsContact O-N 3.08Å; S77-C80 CarbonylContact O-C 3.47Å; S77-C80 WeakPolarHBondContact O-CB 3.33Å; S77-C80 PolarHBondContact O-N 3.05Å; C80-F83 CarbonylContact O-C 3.47Å; C80-F83 PolarHBondContact O-N 2.88Å; C80-V84 WeakPolarHBondContact O-CB 3.46Å; C80-V84 WeakPolarHBondContact O-CG2 3.29Å; C80-V84 PolarHBondContact O-N 3.38Å
81D55Low56.9Low90 Ų9072.5 Ų72.548%0.48140%0.404SS..Hα-helixtrans-62-49.9179-67.9-19.7000111.2S77 L79 F83 V84 E85S77-D81 WeakPolarHBondContact O-CB 3.32Å; S77-D81 PolarHBondContact O-N 3.04Å; L79-D81 VanDerWaalsContact C-N 3.27Å; L79-D81 PolarHBondContact O-N 2.74Å; D81-F83 VanDerWaalsContact C-N 3.3Å; D81-F83 PolarHBondContact O-N 3.17Å; D81-V84 PolarHBondContact O-N 2.77Å; D81-V84 VanDerWaalsContact O-N 3.16Å; D81-E85 WeakPolarHBondContact O-CG 3.37Å; D81-E85 PolarHBondContact O-N 2.77Å
82L55.8Low59.3Low68 Ų6870.8 Ų70.836%0.35638%0.383SS..Hα-helixtrans-59.5-41.4176.7-175.367.1000111.9I64 T78 L79 N86I64-L82 HydrophobicContact CG2-CD2 4.18Å; T78-L82 PolarHBondContact O-N 2.73Å; T78-L82 VanDerWaalsContact O-N 3.13Å; L79-L82 PolarHBondContact O-N 2.84Å; L82-N86 PolarHBondContact O-N 2.83Å; L82-N86 PolarHBondContact O-ND2 2.88Å
83F60.3Low61.2Low13 Ų1362.6 Ų62.66%0.05734%0.34CS..Hα-helixtrans-74.1-30.3177.8-82.6-65.2000113.4I64 L79 C80 D81 L87 Y92 K109I64-F83 HydrophobicContact CB-CE1 4.39Å; I64-F83 HydrophobicContact CD1-CD1 3.99Å; I64-F83 HydrophobicContact CD1-CE1 3.94Å; I64-F83 HydrophobicContact CG2-CD1 4.13Å; I64-F83 HydrophobicContact CG2-CE1 3.47Å; I64-F83 VanDerWaalsContact CG2-CE1 3.47Å; I64-F83 HydrophobicContact CG2-CE2 3.98Å; I64-F83 HydrophobicContact CG2-CZ 3.36Å; L79-F83 HydrophobicContact CB-CD2 4.2Å; L79-F83 HydrophobicContact CB-CE2 4.34Å; L79-F83 WeakPolarHBondContact O-CB 3.22Å; L79-F83 WeakPolarHBondContact O-CD2 3.4Å; L79-F83 PolarHBondContact O-N 3.18Å; C80-F83 CarbonylContact O-C 3.47Å; C80-F83 PolarHBondContact O-N 2.88Å; D81-F83 VanDerWaalsContact C-N 3.3Å; D81-F83 PolarHBondContact O-N 3.17Å; F83-L87 CarbonylContact O-C 3.51Å; F83-L87 WeakPolarHBondContact O-CA 3.29Å; F83-L87 WeakPolarHBondContact O-CB 3.38Å; F83-L87 PolarHBondContact O-N 3.21Å; F83-Y92 AromaticContact CE1-CD1 3.53Å; F83-Y92 HydrophobicContact CE1-CD1 3.53Å; F83-Y92 HydrophobicContact CE1-CD2 4.49Å; F83-Y92 AromaticContact CE1-CE1 3.93Å; F83-Y92 HydrophobicContact CE1-CE1 3.93Å; F83-Y92 AromaticContact CE1-CG 3.83Å; F83-Y92 HydrophobicContact CE1-CG 3.83Å; F83-Y92 AromaticContact CZ-CD1 3.8Å; F83-Y92 HydrophobicContact CZ-CD1 3.8Å; F83-Y92 AromaticContact CZ-CE1 3.97Å; F83-Y92 HydrophobicContact CZ-CE1 3.97Å; F83-K109 HydrophobicContact CB-CD 3.76Å; F83-K109 HydrophobicContact CD1-CD 4.05Å; F83-K109 HydrophobicContact CG-CD 3.92Å; F83-K109 PolarHBondContact O-NZ 2.73Å
84V56.4Low63.4Low78 Ų7857 Ų5747%0.47331%0.313SS..Hα-helixtrans-76.8-40.9-1801650000110.1C80 D81 N86 P88C80-V84 WeakPolarHBondContact O-CB 3.46Å; C80-V84 WeakPolarHBondContact O-CG2 3.29Å; C80-V84 PolarHBondContact O-N 3.38Å; D81-V84 PolarHBondContact O-N 2.77Å; D81-V84 VanDerWaalsContact O-N 3.16Å; V84-N86 VanDerWaalsContact C-N 3.32Å; V84-N86 PolarHBondContact O-N 3.21Å; V84-P88 WeakPolarHBondContact O-CD 3.18Å
85E58.7Low65.3Low157 Ų15753.6 Ų53.673%0.73430%0.299SS*.Hα-helixtrans-61.3-40.9175.4-73.3-175.2169.800112.1D81D81-E85 WeakPolarHBondContact O-CG 3.37Å; D81-E85 PolarHBondContact O-N 2.77Å
86N57.6Low67.5Low85 Ų8552 Ų5246%0.45529%0.289SS..Hα-helixtrans-92.8-30.3-174.1-71.3-78.1000114.1L82 V84L82-N86 PolarHBondContact O-N 2.83Å; L82-N86 PolarHBondContact O-ND2 2.88Å; V84-N86 VanDerWaalsContact C-N 3.32Å; V84-N86 PolarHBondContact O-N 3.21Å
87L65.8Low69.5Low6 Ų651.2 Ų51.23%0.03128%0.284CS..  trans-139.263.5-173-66.2176.9000111.1I38 L61 F83 D89 Q90 K109I38-L87 HydrophobicContact CD1-CD1 4.49Å; I38-L87 HydrophobicContact CG1-CD1 4.33Å; I38-L87 HydrophobicContact CG2-CD1 3.96Å; I38-L87 HydrophobicContact CG2-CD2 3.7Å; I38-L87 HydrophobicContact CG2-CG 4.48Å; L61-L87 HydrophobicContact CD2-CD1 3.99Å; F83-L87 CarbonylContact O-C 3.51Å; F83-L87 WeakPolarHBondContact O-CA 3.29Å; F83-L87 WeakPolarHBondContact O-CB 3.38Å; F83-L87 PolarHBondContact O-N 3.21Å; L87-D89 PolarHBondContact O-N 2.8Å; L87-Q90 HydrophobicContact CB-CB 4.26Å; L87-Q90 PolarHBondContact O-N 3.31Å; L87-K109 PolarHBondContact O-NZ 2.82Å
88P66.1Low71.7Confident75 Ų7552.1 Ų52.149%0.48729%0.287SS..THydrogen-bonded Turntrans-60132.3173.127.4-33.3000108.6V84 Q90V84-P88 WeakPolarHBondContact O-CD 3.18Å; P88-Q90 PolarHBondContact O-N 3.36Å
89D71.8Confident73.6Confident143 Ų14353.2 Ų53.277%0.76529%0.29SS*.THydrogen-bonded Turntrans64.12176.2-48.5-45.4000117.4L87 A111L87-D89 PolarHBondContact O-N 2.8Å; D89-A111 WeakPolarHBondContact O-CB 3.36Å
90Q77.9Confident75.4Confident67 Ų6753 Ų5331%0.31329%0.289SS..  trans-99.2138.8177.6-62.9-176.112.700111.9I38 L87 P88I38-Q90 HydrophobicContact CG2-CB 4.32Å; L87-Q90 HydrophobicContact CB-CB 4.26Å; L87-Q90 PolarHBondContact O-N 3.31Å; P88-Q90 PolarHBondContact O-N 3.36Å
91G84.4Confident77.4Confident8 Ų855.8 Ų55.88%0.08230%0.298CS..  trans-71.515016700000110.9I38 G39 K109I38-G91 WeakPolarHBondContact CA-O 3.35Å; G39-G91 PolarHBondContact N-O 3.08Å; G91-K109 CarbonylContact C-O 3.36Å; G91-K109 VanDerWaalsContact CA-O 3.27Å; G91-K109 WeakPolarHBondContact CA-O 3.46Å
92Y85.7Confident79.3Confident8 Ų851.6 Ų51.63%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-133.4137.1172.3172.3-99000109K36 F37 I38 F83 V108 K109K36-Y92 HydrophobicContact CB-CE2 4.3Å; F37-Y92 CarbonylContact O-C 3.54Å; F37-Y92 WeakPolarHBondContact O-CA 3.38Å; I38-Y92 HydrophobicContact CG1-CD2 3.93Å; I38-Y92 HydrophobicContact CG1-CE2 4.46Å; F83-Y92 AromaticContact CE1-CD1 3.53Å; F83-Y92 HydrophobicContact CE1-CD1 3.53Å; F83-Y92 HydrophobicContact CE1-CD2 4.49Å; F83-Y92 AromaticContact CE1-CE1 3.93Å; F83-Y92 HydrophobicContact CE1-CE1 3.93Å; F83-Y92 AromaticContact CE1-CG 3.83Å; F83-Y92 HydrophobicContact CE1-CG 3.83Å; F83-Y92 AromaticContact CZ-CD1 3.8Å; F83-Y92 HydrophobicContact CZ-CD1 3.8Å; F83-Y92 AromaticContact CZ-CE1 3.97Å; F83-Y92 HydrophobicContact CZ-CE1 3.97Å; Y92-V108 CarbonylContact O-C 3.36Å; Y92-V108 VanDerWaalsContact O-CA 3.27Å; Y92-V108 WeakPolarHBondContact O-CA 3.36Å; Y92-V108 WeakPolarHBondContact O-CG2 3.35Å; Y92-K109 PolarHBondContact N-O 2.96Å; Y92-K109 PolarHBondContact O-N 3.08Å
93Y88.2Confident81.2Confident0 Ų050.4 Ų50.40%027%0.268CS..EExtended strand (participates in β ladder)trans-129.9139.7170.1174.5-98.5000110K36 F37 G95 E96 W97 I102 K107 V108 F120K36-Y93 CarbonylContact C-O 3.43Å; K36-Y93 VanDerWaalsContact CA-O 3.22Å; K36-Y93 WeakPolarHBondContact CA-O 3.25Å; F37-Y93 PolarHBondContact N-O 2.93Å; F37-Y93 PolarHBondContact O-N 2.74Å; Y93-G95 VanDerWaalsContact OH-C 3.32Å; Y93-G95 WeakPolarHBondContact OH-CA 3.08Å; Y93-E96 PolarHBondContact OH-N 3.16Å; Y93-E96 PolarHBondContact OH-O 3.18Å; Y93-W97 AromaticContact CD1-CE2 3.55Å; Y93-W97 HydrophobicContact CD1-CH2 4.15Å; Y93-W97 AromaticContact CD1-CZ2 3.28Å; Y93-W97 HydrophobicContact CD1-CZ2 3.28Å; Y93-W97 AromaticContact CD1-NE1 3.63Å; Y93-W97 HydrophobicContact CE1-CD2 4.23Å; Y93-W97 AromaticContact CE1-CE2 3.49Å; Y93-W97 VanDerWaalsContact CE1-CE2 3.49Å; Y93-W97 AromaticContact CE1-CZ2 3.71Å; Y93-W97 HydrophobicContact CE1-CZ2 3.71Å; Y93-W97 AromaticContact CE1-NE1 3.39Å; Y93-W97 HydrophobicContact CG-CZ2 4.24Å; Y93-I102 HydrophobicContact CD1-CD1 4.09Å; Y93-I102 HydrophobicContact CD1-CG1 4.02Å; Y93-I102 HydrophobicContact CD2-CD1 3.69Å; Y93-I102 HydrophobicContact CD2-CG1 4.22Å; Y93-I102 HydrophobicContact CD2-CG2 4.34Å; Y93-I102 HydrophobicContact CE1-CB 4.49Å; Y93-I102 HydrophobicContact CE1-CD1 4.25Å; Y93-I102 HydrophobicContact CE1-CG1 3.76Å; Y93-I102 HydrophobicContact CE1-CG2 4.3Å; Y93-I102 HydrophobicContact CE2-CB 4.33Å; Y93-I102 HydrophobicContact CE2-CD1 3.91Å; Y93-I102 HydrophobicContact CE2-CG1 4.01Å; Y93-I102 HydrophobicContact CE2-CG2 3.47Å; Y93-I102 VanDerWaalsContact CE2-CG2 3.47Å; Y93-I102 HydrophobicContact CG-CD1 3.77Å; Y93-I102 HydrophobicContact CG-CG1 4.21Å; Y93-I102 VanDerWaalsContact CZ-CG2 3.43Å; Y93-I102 VanDerWaalsContact OH-CG2 3.28Å; Y93-I102 WeakPolarHBondContact OH-CG2 3.11Å; Y93-K107 CarbonylContact C-O 3.56Å; Y93-K107 WeakPolarHBondContact CA-O 3.43Å; Y93-K107 WeakPolarHBondContact CD2-O 3.44Å; Y93-V108 HydrophobicContact CD2-CB 4.14Å; Y93-F120 HydrophobicContact CE2-CD2 4.32Å; Y93-F120 AromaticContact CE2-CE2 3.96Å; Y93-F120 HydrophobicContact CE2-CE2 3.96Å; Y93-F120 HydrophobicContact CE2-CZ 4.17Å
94S89.2Confident82.9Confident35 Ų3551.1 Ų51.125%0.24528%0.28CS..EExtended strand (participates in β ladder)trans-137.1119.1168.2174.20000109G106 K107S94-G106 CarbonylContact O-C 3.55Å; S94-G106 WeakPolarHBondContact O-CA 3.43Å; S94-K107 PolarHBondContact N-O 2.94Å; S94-K107 PolarHBondContact O-N 2.94Å
95G91.9Very high84.7Confident6 Ų652.1 Ų52.16%0.06228%0.278CS..EExtended strand (participates in β ladder)trans168.6-155.3-179.400000112.6K34 G35 Y93K34-G95 WeakPolarHBondContact CA-O 3.36Å; G35-G95 PolarHBondContact N-O 2.82Å; G35-G95 PolarHBondContact O-N 3.46Å; Y93-G95 VanDerWaalsContact OH-C 3.32Å; Y93-G95 WeakPolarHBondContact OH-CA 3.08Å
96E95.1Very high86.3Confident66 Ų6644.7 Ų44.731%0.30824%0.243SC..EExtended strand (participates in β ladder)trans-85.2147-178.6-70.4161-108.100112.3G33 K34 Y93 E103 F105G33-E96 CarbonylContact O-C 3.51Å; G33-E96 WeakPolarHBondContact O-CA 3.46Å; K34-E96 HydrophobicContact CD-CG 3.55Å; K34-E96 IonicContact NZ-OE1 3.77Å; K34-E96 PolarHBondContact NZ-OE1 3.02Å; Y93-E96 PolarHBondContact OH-N 3.16Å; Y93-E96 PolarHBondContact OH-O 3.18Å; E96-E103 WeakPolarHBondContact CB-O 3.41Å; E96-E103 PolarHBondContact O-N 3.08Å; E96-E103 VanDerWaalsContact O-N 3.15Å; E96-F105 PolarHBondContact N-O 3.16Å; E96-F105 PolarHBondContact OE1-N 3.46Å; E96-F105 VanDerWaalsContact OE1-N 3.12Å
97W94.7Very high87.8Confident1 Ų143.1 Ų43.10%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-129.2138.5177.2-6489000108.9Y18 R31 H32 G33 G35 F37 F41 Y93 K101 I102Y18-W97 HydrophobicContact CE2-CZ2 4.45Å; Y18-W97 AromaticContact CE2-NE1 3.71Å; R31-W97 HydrophobicContact CB-CB 3.79Å; R31-W97 HydrophobicContact CB-CD2 3.9Å; R31-W97 HydrophobicContact CB-CE3 4.04Å; R31-W97 HydrophobicContact CB-CG 3.83Å; R31-W97 HydrophobicContact CG-CD2 4.43Å; R31-W97 VanDerWaalsContact CZ-CH2 3.49Å; R31-W97 VanDerWaalsContact NE-CZ3 3.29Å; R31-W97 VanDerWaalsContact NH1-CZ3 3.34Å; H32-W97 CarbonylContact C-O 3.54Å; H32-W97 VanDerWaalsContact CA-O 3.3Å; H32-W97 WeakPolarHBondContact CA-O 3.37Å; G33-W97 PolarHBondContact N-O 3.19Å; G33-W97 PolarHBondContact O-N 2.99Å; G35-W97 PolarHBondContact O-NE1 3.14Å; F37-W97 HydrophobicContact CB-CH2 4.27Å; F37-W97 HydrophobicContact CB-CZ2 3.73Å; F37-W97 HydrophobicContact CG-CZ2 4.39Å; F41-W97 HydrophobicContact CB-CH2 4.11Å; Y93-W97 AromaticContact CD1-CE2 3.55Å; Y93-W97 HydrophobicContact CD1-CH2 4.15Å; Y93-W97 AromaticContact CD1-CZ2 3.28Å; Y93-W97 HydrophobicContact CD1-CZ2 3.28Å; Y93-W97 AromaticContact CD1-NE1 3.63Å; Y93-W97 HydrophobicContact CE1-CD2 4.23Å; Y93-W97 AromaticContact CE1-CE2 3.49Å; Y93-W97 VanDerWaalsContact CE1-CE2 3.49Å; Y93-W97 AromaticContact CE1-CZ2 3.71Å; Y93-W97 HydrophobicContact CE1-CZ2 3.71Å; Y93-W97 AromaticContact CE1-NE1 3.39Å; Y93-W97 HydrophobicContact CG-CZ2 4.24Å; W97-K101 CarbonylContact C-O 3.59Å; W97-K101 WeakPolarHBondContact CA-O 3.27Å; W97-I102 HydrophobicContact CD2-CG1 4.41Å; W97-I102 HydrophobicContact CE3-CG1 3.95Å; W97-I102 HydrophobicContact CH2-CD1 4.08Å; W97-I102 HydrophobicContact CH2-CG1 3.61Å; W97-I102 HydrophobicContact CZ2-CG1 4.09Å; W97-I102 HydrophobicContact CZ3-CD1 4.36Å; W97-I102 HydrophobicContact CZ3-CG1 3.51Å
98V94.6Very high88.8Confident61 Ų6142.9 Ų42.937%0.3723%0.231SC..EExtended strand (participates in β ladder)trans-133.5113.6167.6-179.20000107.9D100 K101 E103V98-D100 PolarHBondContact O-N 2.6Å; V98-K101 PolarHBondContact N-O 3.14Å; V98-K101 WeakPolarHBondContact O-CB 3.42Å; V98-K101 PolarHBondContact O-N 3.09Å; V98-E103 HydrophobicContact CB-CB 4.33Å; V98-E103 HydrophobicContact CB-CG 3.91Å; V98-E103 HydrophobicContact CG2-CB 3.87Å; V98-E103 HydrophobicContact CG2-CG 3.94Å
99N91.3Very high89.7Confident102 Ų10239.8 Ų39.855%0.54521%0.21SC..THydrogen-bonded Turntrans51.354.9176.5-59.8-35.8000112.3R31 K101R31-N99 PolarHBondContact O-N 3.16Å; R31-N99 VanDerWaalsContact O-N 3.14Å; N99-K101 PolarHBondContact O-N 2.92Å
100D91.7Very high90.3Very high16 Ų1633.6 Ų33.69%0.08618%0.177CC..THydrogen-bonded Turntrans66.36.3-177.6-85.8-14.6000117R31 M45 V98R31-D100 WeakPolarHBondContact CB-OD1 3.23Å; R31-D100 WeakPolarHBondContact CG-OD1 3.32Å; R31-D100 IonicContact CZ-OD1 2.77Å; R31-D100 PolarHBondContact N-OD1 2.99Å; R31-D100 IonicContact NE-OD1 3.91Å; R31-D100 PolarHBondContact NE-OD1 2.92Å; R31-D100 PolarHBondContact NH2-O 2.96Å; R31-D100 IonicContact NH2-OD1 2.77Å; R31-D100 PolarHBondContact O-N 2.89Å; M45-D100 VanDerWaalsContact CG-OD1 3.29Å; M45-D100 WeakPolarHBondContact CG-OD1 3.27Å; M45-D100 PolarHBondContact N-OD2 3.35Å; V98-D100 PolarHBondContact O-N 2.6Å
101K93.4Very high90.4Very high87 Ų8733.3 Ų33.338%0.37819%0.186SC..EExtended strand (participates in β ladder)trans-104.8138.4173-59.6178.1175.1-178.80111.1W97 V98 N99 E103 D122 N123W97-K101 CarbonylContact C-O 3.59Å; W97-K101 WeakPolarHBondContact CA-O 3.27Å; V98-K101 PolarHBondContact N-O 3.14Å; V98-K101 WeakPolarHBondContact O-CB 3.42Å; V98-K101 PolarHBondContact O-N 3.09Å; N99-K101 PolarHBondContact O-N 2.92Å; K101-E103 PolarHBondContact O-N 2.78Å; K101-D122 WeakPolarHBondContact CD-OD1 3.45Å; K101-D122 IonicContact NZ-OD1 3.27Å; K101-D122 PolarHBondContact NZ-OD1 3.26Å; K101-N123 WeakPolarHBondContact CA-OD1 3.44Å
102I94.2Very high90Very high1 Ų134 Ų341%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-64.8127.1164.1-67.2170.7000108.5F41 Y93 W97 F120 N123F41-I102 HydrophobicContact CB-CD1 4.11Å; F41-I102 HydrophobicContact CD2-CD1 3.49Å; F41-I102 VanDerWaalsContact CD2-CD1 3.49Å; F41-I102 HydrophobicContact CE2-CD1 4.09Å; F41-I102 HydrophobicContact CG-CD1 3.9Å; Y93-I102 HydrophobicContact CD1-CD1 4.09Å; Y93-I102 HydrophobicContact CD1-CG1 4.02Å; Y93-I102 HydrophobicContact CD2-CD1 3.69Å; Y93-I102 HydrophobicContact CD2-CG1 4.22Å; Y93-I102 HydrophobicContact CD2-CG2 4.34Å; Y93-I102 HydrophobicContact CE1-CB 4.49Å; Y93-I102 HydrophobicContact CE1-CD1 4.25Å; Y93-I102 HydrophobicContact CE1-CG1 3.76Å; Y93-I102 HydrophobicContact CE1-CG2 4.3Å; Y93-I102 HydrophobicContact CE2-CB 4.33Å; Y93-I102 HydrophobicContact CE2-CD1 3.91Å; Y93-I102 HydrophobicContact CE2-CG1 4.01Å; Y93-I102 HydrophobicContact CE2-CG2 3.47Å; Y93-I102 VanDerWaalsContact CE2-CG2 3.47Å; Y93-I102 HydrophobicContact CG-CD1 3.77Å; Y93-I102 HydrophobicContact CG-CG1 4.21Å; Y93-I102 VanDerWaalsContact CZ-CG2 3.43Å; Y93-I102 VanDerWaalsContact OH-CG2 3.28Å; Y93-I102 WeakPolarHBondContact OH-CG2 3.11Å; W97-I102 HydrophobicContact CD2-CG1 4.41Å; W97-I102 HydrophobicContact CE3-CG1 3.95Å; W97-I102 HydrophobicContact CH2-CD1 4.08Å; W97-I102 HydrophobicContact CH2-CG1 3.61Å; W97-I102 HydrophobicContact CZ2-CG1 4.09Å; W97-I102 HydrophobicContact CZ3-CD1 4.36Å; W97-I102 HydrophobicContact CZ3-CG1 3.51Å; I102-F120 HydrophobicContact CG2-CB 3.47Å; I102-F120 VanDerWaalsContact CG2-CB 3.47Å; I102-F120 HydrophobicContact CG2-CD1 3.5Å; I102-F120 VanDerWaalsContact CG2-CD1 3.5Å; I102-F120 HydrophobicContact CG2-CD2 3.88Å; I102-F120 HydrophobicContact CG2-CE1 4.11Å; I102-F120 HydrophobicContact CG2-CE2 4.45Å; I102-F120 HydrophobicContact CG2-CG 3.34Å; I102-N123 PolarHBondContact N-OD1 2.98Å; I102-N123 PolarHBondContact O-N 3.12Å
103E96.1Very high89.6Confident43 Ų4334.4 Ų34.420%0.20120%0.196CC..EExtended strand (participates in β ladder)trans-142.3172-177.8-80.2-66160.100109.2E96 V98 K101 F120 K121 D122E96-E103 WeakPolarHBondContact CB-O 3.41Å; E96-E103 PolarHBondContact O-N 3.08Å; E96-E103 VanDerWaalsContact O-N 3.15Å; V98-E103 HydrophobicContact CB-CB 4.33Å; V98-E103 HydrophobicContact CB-CG 3.91Å; V98-E103 HydrophobicContact CG2-CB 3.87Å; V98-E103 HydrophobicContact CG2-CG 3.94Å; K101-E103 PolarHBondContact O-N 2.78Å; E103-F120 CarbonylContact C-O 3.59Å; E103-K121 WeakPolarHBondContact OE2-CA 3.29Å; E103-D122 PolarHBondContact OE1-N 2.82Å
104G96.1Very high89.4Confident29 Ų2934.4 Ų34.430%0.29920%0.196SC..EExtended strand (participates in β ladder)trans62.6-146.7170.700000112.8G119 F120G104-G119 CarbonylContact O-C 3.56Å; G104-G119 WeakPolarHBondContact O-CA 3.5Å; G104-F120 PolarHBondContact N-O 3.05Å; G104-F120 PolarHBondContact O-N 3.15Å
105F95.3Very high89.2Confident98 Ų9833.4 Ų33.443%0.4319%0.187SC..EExtended strand (participates in β ladder)trans-92.4136.8178.9-173.1-91.4000111.2E96 E117 G118E96-F105 PolarHBondContact N-O 3.16Å; E96-F105 PolarHBondContact OE1-N 3.46Å; E96-F105 VanDerWaalsContact OE1-N 3.12Å; F105-E117 HydrophobicContact CE1-CG 4.1Å; F105-E117 HydrophobicContact CE2-CG 4.23Å; F105-E117 HydrophobicContact CZ-CG 3.46Å; F105-E117 VanDerWaalsContact CZ-CG 3.46Å; F105-E117 WeakPolarHBondContact CZ-OE1 3.37Å; F105-G118 WeakPolarHBondContact CA-O 3.2Å
106G91.6Very high89Confident1 Ų133.1 Ų33.11%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-156.1172.8178.700000114.2S94 G118S94-G106 CarbonylContact O-C 3.55Å; S94-G106 WeakPolarHBondContact O-CA 3.43Å; G106-G118 PolarHBondContact N-O 2.81Å; G106-G118 PolarHBondContact O-N 3.2Å; G106-G118 VanDerWaalsContact O-N 3.08Å
107K89.6Confident88.7Confident52 Ų5232.2 Ų32.223%0.22618%0.18CC..EExtended strand (participates in β ladder)trans-125.4129.2176.8-62.2173.8-176.7-103.10107.8Y93 S94 Y115 Y116 E117Y93-K107 CarbonylContact C-O 3.56Å; Y93-K107 WeakPolarHBondContact CA-O 3.43Å; Y93-K107 WeakPolarHBondContact CD2-O 3.44Å; S94-K107 PolarHBondContact N-O 2.94Å; S94-K107 PolarHBondContact O-N 2.94Å; K107-Y115 HydrophobicContact CB-CE2 4Å; K107-Y115 WeakPolarHBondContact CB-OH 3.36Å; K107-Y115 VanDerWaalsContact CD-OH 3.29Å; K107-Y115 WeakPolarHBondContact CD-OH 3.48Å; K107-Y115 WeakPolarHBondContact CG-OH 3.4Å; K107-Y116 CarbonylContact C-O 3.58Å; K107-Y116 WeakPolarHBondContact CA-O 3.43Å; K107-E117 VanDerWaalsContact CE-OE1 3.32Å; K107-E117 WeakPolarHBondContact CE-OE1 3.28Å; K107-E117 HydrophobicContact CG-CB 4.37Å; K107-E117 HydrophobicContact CG-CG 4.03Å; K107-E117 IonicContact NZ-OE1 3.69Å; K107-E117 PolarHBondContact NZ-OE1 3.03Å; K107-E117 IonicContact NZ-OE2 2.73Å; K107-E117 PolarHBondContact NZ-OE2 2.9Å
108V86.7Confident88.7Confident1 Ų132.3 Ų32.31%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-130.3128.9178.266.30000110.6F41 Y92 Y93 F110 Y115 Y116 F120F41-V108 HydrophobicContact CD1-CG2 4.38Å; F41-V108 HydrophobicContact CE1-CG2 3.9Å; F41-V108 HydrophobicContact CZ-CG2 4.46Å; Y92-V108 CarbonylContact O-C 3.36Å; Y92-V108 VanDerWaalsContact O-CA 3.27Å; Y92-V108 WeakPolarHBondContact O-CA 3.36Å; Y92-V108 WeakPolarHBondContact O-CG2 3.35Å; Y93-V108 HydrophobicContact CD2-CB 4.14Å; V108-F110 HydrophobicContact CB-CE1 4.43Å; V108-F110 HydrophobicContact CB-CZ 4.41Å; V108-F110 HydrophobicContact CG1-CE1 3.81Å; V108-F110 HydrophobicContact CG1-CE2 3.74Å; V108-F110 HydrophobicContact CG1-CZ 3.36Å; V108-F110 HydrophobicContact CG2-CD1 3.96Å; V108-F110 HydrophobicContact CG2-CE1 3.69Å; V108-F110 HydrophobicContact CG2-CZ 4.15Å; V108-Y115 CarbonylContact O-C 3.51Å; V108-Y115 VanDerWaalsContact O-CA 3.3Å; V108-Y115 WeakPolarHBondContact O-CA 3.37Å; V108-Y115 WeakPolarHBondContact O-CD2 3.37Å; V108-Y116 HydrophobicContact CG1-CD1 4.13Å; V108-Y116 HydrophobicContact CG1-CG 4.42Å; V108-Y116 PolarHBondContact N-O 3.22Å; V108-Y116 PolarHBondContact O-N 3.32Å; V108-F120 HydrophobicContact CB-CZ 4.14Å; V108-F120 HydrophobicContact CG1-CE1 4.29Å; V108-F120 HydrophobicContact CG1-CZ 3.74Å
109K84.3Confident88.7Confident11 Ų1130 Ų305%0.04817%0.17CC..EExtended strand (participates in β ladder)trans-99.8122.7161.6-178-145.9-179.6-172.90107.2F83 L87 G91 Y92 Y115F83-K109 HydrophobicContact CB-CD 3.76Å; F83-K109 HydrophobicContact CD1-CD 4.05Å; F83-K109 HydrophobicContact CG-CD 3.92Å; F83-K109 PolarHBondContact O-NZ 2.73Å; L87-K109 PolarHBondContact O-NZ 2.82Å; G91-K109 CarbonylContact C-O 3.36Å; G91-K109 VanDerWaalsContact CA-O 3.27Å; G91-K109 WeakPolarHBondContact CA-O 3.46Å; Y92-K109 PolarHBondContact N-O 2.96Å; Y92-K109 PolarHBondContact O-N 3.08Å; K109-Y115 HydrophobicContact CB-CD2 4.43Å
110F84.3Confident88.9Confident13 Ų1325.9 Ų25.96%0.05715%0.147CC..  trans-82.9156.4173.7-58.4-67000110.5F41 V108 S112 G113 S114 Y131 E178F41-F110 HydrophobicContact CE1-CD1 4.32Å; F41-F110 HydrophobicContact CE1-CE1 4.36Å; F41-F110 HydrophobicContact CZ-CD1 4.45Å; F41-F110 HydrophobicContact CZ-CE1 4.15Å; V108-F110 HydrophobicContact CB-CE1 4.43Å; V108-F110 HydrophobicContact CB-CZ 4.41Å; V108-F110 HydrophobicContact CG1-CE1 3.81Å; V108-F110 HydrophobicContact CG1-CE2 3.74Å; V108-F110 HydrophobicContact CG1-CZ 3.36Å; V108-F110 HydrophobicContact CG2-CD1 3.96Å; V108-F110 HydrophobicContact CG2-CE1 3.69Å; V108-F110 HydrophobicContact CG2-CZ 4.15Å; F110-S112 PolarHBondContact O-N 2.82Å; F110-S112 VanDerWaalsContact O-N 3.09Å; F110-G113 PolarHBondContact O-N 2.99Å; F110-S114 WeakPolarHBondContact CD2-O 3.3Å; F110-S114 PolarHBondContact N-O 3Å; F110-Y131 AromaticContact CE2-CE2 3.89Å; F110-Y131 HydrophobicContact CE2-CE2 3.89Å; F110-E178 HydrophobicContact CB-CB 4.43Å; F110-E178 HydrophobicContact CD1-CB 3.76Å; F110-E178 HydrophobicContact CD1-CG 3.51Å; F110-E178 HydrophobicContact CE1-CB 4.31Å; F110-E178 HydrophobicContact CE1-CG 3.6Å; F110-E178 HydrophobicContact CG-CB 4.22Å; F110-E178 HydrophobicContact CG-CG 4.39Å
111A79.6Confident89.2Confident61 Ų6129.9 Ų29.950%0.50416%0.163SC..THydrogen-bonded Turntrans-60.2-19.2174.100000112.8D89 G113D89-A111 WeakPolarHBondContact O-CB 3.36Å; A111-G113 PolarHBondContact O-N 2.83Å
112S77.3Confident89.2Confident22 Ų2228.7 Ų28.715%0.15416%0.161CC..THydrogen-bonded Turntrans-68-14.8171.662.90000114.3F110 S114 E178F110-S112 PolarHBondContact O-N 2.82Å; F110-S112 VanDerWaalsContact O-N 3.09Å; S112-S114 WeakPolarHBondContact OG-CB 3.19Å; S112-S114 PolarHBondContact OG-N 3.14Å; S112-S114 PolarHBondContact OG-OG 2.87Å; S112-S114 VanDerWaalsContact OG-OG 3.05Å; S112-E178 VanDerWaalsContact CB-O 3.29Å; S112-E178 WeakPolarHBondContact CB-O 2.81Å; S112-E178 PolarHBondContact OG-O 3.29Å
113G77.1Confident89.1Confident17 Ų1731 Ų3118%0.17517%0.173CC..SBendtrans92.5-12-168.700000113.8F110 A111F110-G113 PolarHBondContact O-N 2.99Å; A111-G113 PolarHBondContact O-N 2.83Å
114S83Confident88.9Confident0 Ų032.8 Ų32.80%018%0.181CC..  trans-68.9148.9176.9-48.60000110.9F110 S112 Y131 Y132 P134 D180F110-S114 WeakPolarHBondContact CD2-O 3.3Å; F110-S114 PolarHBondContact N-O 3Å; S112-S114 WeakPolarHBondContact OG-CB 3.19Å; S112-S114 PolarHBondContact OG-N 3.14Å; S112-S114 PolarHBondContact OG-OG 2.87Å; S112-S114 VanDerWaalsContact OG-OG 3.05Å; S114-Y131 VanDerWaalsContact CB-OH 3.23Å; S114-Y131 WeakPolarHBondContact CB-OH 3.41Å; S114-Y132 WeakPolarHBondContact CA-O 3.33Å; S114-P134 WeakPolarHBondContact OG-CD 3.44Å; S114-D180 PolarHBondContact OG-O 2.79Å
115Y84.9Confident88.8Confident13 Ų1331.6 Ų31.65%0.05117%0.167CC..EExtended strand (participates in β ladder)trans-127.3144.3-177.5175.6-98000110.3K107 V108 K109 E117 Y132K107-Y115 HydrophobicContact CB-CE2 4Å; K107-Y115 WeakPolarHBondContact CB-OH 3.36Å; K107-Y115 VanDerWaalsContact CD-OH 3.29Å; K107-Y115 WeakPolarHBondContact CD-OH 3.48Å; K107-Y115 WeakPolarHBondContact CG-OH 3.4Å; V108-Y115 CarbonylContact O-C 3.51Å; V108-Y115 VanDerWaalsContact O-CA 3.3Å; V108-Y115 WeakPolarHBondContact O-CA 3.37Å; V108-Y115 WeakPolarHBondContact O-CD2 3.37Å; K109-Y115 HydrophobicContact CB-CD2 4.43Å; Y115-E117 HydrophobicContact CE1-CB 3.81Å; Y115-E117 PolarHBondContact OH-OE2 2.99Å; Y115-Y132 AromaticContact CD1-CD2 3.4Å; Y115-Y132 HydrophobicContact CD1-CD2 3.4Å; Y115-Y132 AromaticContact CD1-CE2 3.7Å; Y115-Y132 HydrophobicContact CD1-CE2 3.7Å; Y115-Y132 HydrophobicContact CD1-CG 4.13Å; Y115-Y132 HydrophobicContact CE1-CD2 4.06Å; Y115-Y132 AromaticContact CE1-CE2 3.87Å; Y115-Y132 HydrophobicContact CE1-CE2 3.87Å; Y115-Y132 HydrophobicContact CG-CD2 4.41Å; Y115-Y132 PolarHBondContact N-O 2.82Å; Y115-Y132 PolarHBondContact O-N 2.82Å
116Y87.6Confident88.8Confident0 Ų028.9 Ų28.90%016%0.157CC..EExtended strand (participates in β ladder)trans-136.1136.7173.4170.2-92.3000110.6K107 V108 G119 F120 M125 I130 Y131 F143K107-Y116 CarbonylContact C-O 3.58Å; K107-Y116 WeakPolarHBondContact CA-O 3.43Å; V108-Y116 HydrophobicContact CG1-CD1 4.13Å; V108-Y116 HydrophobicContact CG1-CG 4.42Å; V108-Y116 PolarHBondContact N-O 3.22Å; V108-Y116 PolarHBondContact O-N 3.32Å; Y116-G119 PolarHBondContact OH-N 2.72Å; Y116-G119 PolarHBondContact OH-O 3.18Å; Y116-F120 HydrophobicContact CD1-CE1 4.06Å; Y116-F120 AromaticContact CD1-CE2 3.81Å; Y116-F120 HydrophobicContact CD1-CE2 3.81Å; Y116-F120 AromaticContact CD1-CZ 3.4Å; Y116-F120 HydrophobicContact CD1-CZ 3.4Å; Y116-F120 HydrophobicContact CE1-CD2 4.25Å; Y116-F120 HydrophobicContact CE1-CE1 4.09Å; Y116-F120 AromaticContact CE1-CE2 3.64Å; Y116-F120 HydrophobicContact CE1-CE2 3.64Å; Y116-F120 AromaticContact CE1-CZ 3.58Å; Y116-F120 HydrophobicContact CE1-CZ 3.58Å; Y116-M125 HydrophobicContact CD1-CG 3.75Å; Y116-M125 HydrophobicContact CD1-SD 3.94Å; Y116-M125 HydrophobicContact CD2-CG 4.1Å; Y116-M125 HydrophobicContact CD2-SD 3.37Å; Y116-M125 WeakPolarHBondContact CD2-SD 3.38Å; Y116-M125 HydrophobicContact CE1-CB 4.01Å; Y116-M125 HydrophobicContact CE1-CG 3.61Å; Y116-M125 HydrophobicContact CE1-SD 4.2Å; Y116-M125 HydrophobicContact CE2-CB 4.11Å; Y116-M125 HydrophobicContact CE2-CG 3.96Å; Y116-M125 HydrophobicContact CE2-SD 3.67Å; Y116-M125 HydrophobicContact CG-CG 3.98Å; Y116-M125 HydrophobicContact CG-SD 3.49Å; Y116-I130 WeakPolarHBondContact CA-O 3.38Å; Y116-I130 WeakPolarHBondContact CD2-O 3.49Å; Y116-Y131 HydrophobicContact CD2-CD2 4.11Å; Y116-F143 HydrophobicContact CD2-CE2 4.49Å; Y116-F143 HydrophobicContact CD2-CZ 4.49Å; Y116-F143 AromaticContact CE2-CD2 3.91Å; Y116-F143 HydrophobicContact CE2-CD2 3.91Å; Y116-F143 AromaticContact CE2-CE2 3.72Å; Y116-F143 HydrophobicContact CE2-CE2 3.72Å; Y116-F143 HydrophobicContact CE2-CG 4.45Å; Y116-F143 HydrophobicContact CE2-CZ 4.09Å
117E90.7Very high89Confident48 Ų4829.7 Ų29.722%0.22417%0.166CC..EExtended strand (participates in β ladder)trans-128124.2172.2176.1161.6-17900109.3F105 K107 Y115 G129 I130F105-E117 HydrophobicContact CE1-CG 4.1Å; F105-E117 HydrophobicContact CE2-CG 4.23Å; F105-E117 HydrophobicContact CZ-CG 3.46Å; F105-E117 VanDerWaalsContact CZ-CG 3.46Å; F105-E117 WeakPolarHBondContact CZ-OE1 3.37Å; K107-E117 VanDerWaalsContact CE-OE1 3.32Å; K107-E117 WeakPolarHBondContact CE-OE1 3.28Å; K107-E117 HydrophobicContact CG-CB 4.37Å; K107-E117 HydrophobicContact CG-CG 4.03Å; K107-E117 IonicContact NZ-OE1 3.69Å; K107-E117 PolarHBondContact NZ-OE1 3.03Å; K107-E117 IonicContact NZ-OE2 2.73Å; K107-E117 PolarHBondContact NZ-OE2 2.9Å; Y115-E117 HydrophobicContact CE1-CB 3.81Å; Y115-E117 PolarHBondContact OH-OE2 2.99Å; E117-G129 CarbonylContact O-C 3.55Å; E117-G129 WeakPolarHBondContact O-CA 3.18Å; E117-I130 PolarHBondContact N-O 3.05Å; E117-I130 PolarHBondContact O-N 2.83Å
118G93.1Very high89.3Confident2 Ų233.3 Ų33.32%0.02119%0.187CC..EExtended strand (participates in β ladder)trans162.1-161.8-176.900000113.4F105 G106 F120 L128F105-G118 WeakPolarHBondContact CA-O 3.2Å; G106-G118 PolarHBondContact N-O 2.81Å; G106-G118 PolarHBondContact O-N 3.2Å; G106-G118 VanDerWaalsContact O-N 3.08Å; G118-F120 WeakPolarHBondContact O-CD2 3.44Å; G118-L128 WeakPolarHBondContact CA-O 3.45Å
119G95.5Very high89.7Confident14 Ų1433.7 Ų33.714%0.14419%0.191CC..EExtended strand (participates in β ladder)trans-77.7150.7178.700000113.3G104 Y116 M125 D126 L128G104-G119 CarbonylContact O-C 3.56Å; G104-G119 WeakPolarHBondContact O-CA 3.5Å; Y116-G119 PolarHBondContact OH-N 2.72Å; Y116-G119 PolarHBondContact OH-O 3.18Å; G119-M125 WeakPolarHBondContact O-CA 3.09Å; G119-D126 CarbonylContact C-O 3.59Å; G119-D126 WeakPolarHBondContact CA-O 3.3Å; G119-D126 PolarHBondContact O-N 2.78Å; G119-L128 PolarHBondContact N-O 2.81Å
120F95.8Very high90Very high15 Ų1535.4 Ų35.47%0.06620%0.2CC..EExtended strand (participates in β ladder)trans-133.8148.6173.9-67.7-94.5000111.4Y93 I102 E103 G104 V108 Y116 G118 K124 M125Y93-F120 HydrophobicContact CE2-CD2 4.32Å; Y93-F120 AromaticContact CE2-CE2 3.96Å; Y93-F120 HydrophobicContact CE2-CE2 3.96Å; Y93-F120 HydrophobicContact CE2-CZ 4.17Å; I102-F120 HydrophobicContact CG2-CB 3.47Å; I102-F120 VanDerWaalsContact CG2-CB 3.47Å; I102-F120 HydrophobicContact CG2-CD1 3.5Å; I102-F120 VanDerWaalsContact CG2-CD1 3.5Å; I102-F120 HydrophobicContact CG2-CD2 3.88Å; I102-F120 HydrophobicContact CG2-CE1 4.11Å; I102-F120 HydrophobicContact CG2-CE2 4.45Å; I102-F120 HydrophobicContact CG2-CG 3.34Å; E103-F120 CarbonylContact C-O 3.59Å; G104-F120 PolarHBondContact N-O 3.05Å; G104-F120 PolarHBondContact O-N 3.15Å; V108-F120 HydrophobicContact CB-CZ 4.14Å; V108-F120 HydrophobicContact CG1-CE1 4.29Å; V108-F120 HydrophobicContact CG1-CZ 3.74Å; Y116-F120 HydrophobicContact CD1-CE1 4.06Å; Y116-F120 AromaticContact CD1-CE2 3.81Å; Y116-F120 HydrophobicContact CD1-CE2 3.81Å; Y116-F120 AromaticContact CD1-CZ 3.4Å; Y116-F120 HydrophobicContact CD1-CZ 3.4Å; Y116-F120 HydrophobicContact CE1-CD2 4.25Å; Y116-F120 HydrophobicContact CE1-CE1 4.09Å; Y116-F120 AromaticContact CE1-CE2 3.64Å; Y116-F120 HydrophobicContact CE1-CE2 3.64Å; Y116-F120 AromaticContact CE1-CZ 3.58Å; Y116-F120 HydrophobicContact CE1-CZ 3.58Å; G118-F120 WeakPolarHBondContact O-CD2 3.44Å; F120-K124 CarbonylContact C-O 3.57Å; F120-K124 WeakPolarHBondContact CA-O 3.45Å; F120-M125 HydrophobicContact CE1-CG 4.2Å
121K96.3Very high90.2Very high99 Ų9934.8 Ų34.843%0.4320%0.198SC..EExtended strand (participates in β ladder)trans-145.8131.9170.2-171.6175.2-178.6176.10109.9E103 N123 K124 D126E103-K121 WeakPolarHBondContact OE2-CA 3.29Å; K121-N123 VanDerWaalsContact C-N 3.29Å; K121-N123 PolarHBondContact O-N 3.32Å; K121-K124 PolarHBondContact N-O 2.71Å; K121-K124 WeakPolarHBondContact O-CB 3.34Å; K121-K124 PolarHBondContact O-N 2.76Å; K121-D126 HydrophobicContact CB-CB 3.64Å
122D94.3Very high90.5Very high62 Ų6233.5 Ų33.533%0.33218%0.18SC..THydrogen-bonded Turntrans5043.8-179.6-72.1-58.6000113.9K101 E103 K124K101-D122 WeakPolarHBondContact CD-OD1 3.45Å; K101-D122 IonicContact NZ-OD1 3.27Å; K101-D122 PolarHBondContact NZ-OD1 3.26Å; E103-D122 PolarHBondContact OE1-N 2.82Å; D122-K124 VanDerWaalsContact C-N 3.28Å; D122-K124 PolarHBondContact O-N 3.33Å
123N92.2Very high90.8Very high49 Ų4932.9 Ų32.926%0.26217%0.174SC..THydrogen-bonded Turntrans64.720.7-175.1-51.8-71.8000116.1K101 I102 K121K101-N123 WeakPolarHBondContact CA-OD1 3.44Å; I102-N123 PolarHBondContact N-OD1 2.98Å; I102-N123 PolarHBondContact O-N 3.12Å; K121-N123 VanDerWaalsContact C-N 3.29Å; K121-N123 PolarHBondContact O-N 3.32Å
124K92.5Very high90.9Very high81 Ų8135.2 Ų35.235%0.35219%0.186SC..EExtended strand (participates in β ladder)trans-128.8147.5-180-65.4164.9174.61760110.3F120 K121 D122 D126 Q145 N146F120-K124 CarbonylContact C-O 3.57Å; F120-K124 WeakPolarHBondContact CA-O 3.45Å; K121-K124 PolarHBondContact N-O 2.71Å; K121-K124 WeakPolarHBondContact O-CB 3.34Å; K121-K124 PolarHBondContact O-N 2.76Å; D122-K124 VanDerWaalsContact C-N 3.28Å; D122-K124 PolarHBondContact O-N 3.33Å; K124-D126 PolarHBondContact O-N 2.91Å; K124-Q145 HydrophobicContact CD-CB 4.28Å; K124-N146 WeakPolarHBondContact CA-OD1 3.48Å; K124-N146 WeakPolarHBondContact CB-OD1 3.19Å
125M93.3Very high90.7Very high4 Ų437.7 Ų37.72%0.0220%0.199CC..EExtended strand (participates in β ladder)trans-59125.8173-56.2178.1-67.400108.9Y116 G119 F120 Y131 F143 Q145 N146 L176Y116-M125 HydrophobicContact CD1-CG 3.75Å; Y116-M125 HydrophobicContact CD1-SD 3.94Å; Y116-M125 HydrophobicContact CD2-CG 4.1Å; Y116-M125 HydrophobicContact CD2-SD 3.37Å; Y116-M125 WeakPolarHBondContact CD2-SD 3.38Å; Y116-M125 HydrophobicContact CE1-CB 4.01Å; Y116-M125 HydrophobicContact CE1-CG 3.61Å; Y116-M125 HydrophobicContact CE1-SD 4.2Å; Y116-M125 HydrophobicContact CE2-CB 4.11Å; Y116-M125 HydrophobicContact CE2-CG 3.96Å; Y116-M125 HydrophobicContact CE2-SD 3.67Å; Y116-M125 HydrophobicContact CG-CG 3.98Å; Y116-M125 HydrophobicContact CG-SD 3.49Å; G119-M125 WeakPolarHBondContact O-CA 3.09Å; F120-M125 HydrophobicContact CE1-CG 4.2Å; M125-Y131 HydrophobicContact CE-CD2 4.37Å; M125-Y131 HydrophobicContact CE-CE2 4.35Å; M125-Y131 HydrophobicContact SD-CD2 3.91Å; M125-Y131 HydrophobicContact SD-CE2 4.18Å; M125-F143 HydrophobicContact CB-CB 4.12Å; M125-F143 HydrophobicContact CB-CD1 4.22Å; M125-F143 HydrophobicContact CB-CG 4.19Å; M125-F143 HydrophobicContact CE-CD1 4.18Å; M125-F143 HydrophobicContact CE-CE1 4.17Å; M125-F143 HydrophobicContact SD-CD1 4.48Å; M125-F143 HydrophobicContact SD-CE1 4.37Å; M125-Q145 PolarHBondContact O-N 3.04Å; M125-N146 HydrophobicContact CE-CB 4.02Å; M125-N146 PolarHBondContact N-OD1 3.41Å; M125-N146 PolarHBondContact O-N 2.95Å; M125-L176 HydrophobicContact CE-CB 3.97Å
126D95.5Very high90.5Very high41 Ų4138.7 Ų38.722%0.21921%0.213CC..EExtended strand (participates in β ladder)trans-153.8128.5-174.4-157.882.1000109G119 K121 K124 Q145G119-D126 CarbonylContact C-O 3.59Å; G119-D126 WeakPolarHBondContact CA-O 3.3Å; G119-D126 PolarHBondContact O-N 2.78Å; K121-D126 HydrophobicContact CB-CB 3.64Å; K124-D126 PolarHBondContact O-N 2.91Å; D126-Q145 PolarHBondContact OD1-N 2.76Å; D126-Q145 VanDerWaalsContact OD1-N 3.17Å
127G96.2Very high90.3Very high19 Ų1940.2 Ų40.220%0.19622%0.22CC..EExtended strand (participates in β ladder)trans98.1-167.7-171.100000113.4F143G127-F143 PolarHBondContact N-O 3.24Å; G127-F143 PolarHBondContact O-N 3.11Å
128L95.8Very high90.2Very high128 Ų12839.3 Ų39.367%0.6722%0.216SC*.EExtended strand (participates in β ladder)trans-70.7139.8173.7-68.7170.6000110.1G118 G119 Q142G118-L128 WeakPolarHBondContact CA-O 3.45Å; G119-L128 PolarHBondContact N-O 2.81Å; L128-Q142 HydrophobicContact CD2-CB 4.34Å; L128-Q142 VanDerWaalsContact CD2-OE1 3.3Å
129G93.9Very high90Very high8 Ų839.2 Ų39.28%0.08222%0.215CC..EExtended strand (participates in β ladder)trans-162.7172172.600000113E117 A141E117-G129 CarbonylContact O-C 3.55Å; E117-G129 WeakPolarHBondContact O-CA 3.18Å; G129-A141 PolarHBondContact N-O 2.63Å; G129-A141 PolarHBondContact O-N 3.03Å
130I91.6Very high89.8Confident47 Ų4742 Ų4224%0.24122%0.223CC..EExtended strand (participates in β ladder)trans-121.8123.2177.8-46.8-179.5000107.6Y116 E117 Y132 I138 L139 K140Y116-I130 WeakPolarHBondContact CA-O 3.38Å; Y116-I130 WeakPolarHBondContact CD2-O 3.49Å; E117-I130 PolarHBondContact N-O 3.05Å; E117-I130 PolarHBondContact O-N 2.83Å; I130-Y132 HydrophobicContact CB-CD2 4.45Å; I130-Y132 HydrophobicContact CB-CE2 3.64Å; I130-Y132 HydrophobicContact CG2-CD2 4Å; I130-Y132 HydrophobicContact CG2-CE1 3.92Å; I130-Y132 HydrophobicContact CG2-CE2 3.35Å; I130-Y132 WeakPolarHBondContact CG2-OH 3.37Å; I130-I138 HydrophobicContact CG2-CG2 3.38Å; I130-L139 CarbonylContact C-O 3.56Å; I130-L139 WeakPolarHBondContact CA-O 3.21Å; I130-K140 HydrophobicContact CD1-CD 4.49Å; I130-K140 HydrophobicContact CD1-CG 4.36Å; I130-K140 HydrophobicContact CG1-CG 4.08Å; I130-K140 HydrophobicContact CG2-CG 4.03Å
131Y88.2Confident89.6Confident1 Ų141.5 Ų41.50%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-106.6136.1175.6-163.5-77.1000109.2F110 S114 Y116 M125 W133 I138 L139 L176 N177F110-Y131 AromaticContact CE2-CE2 3.89Å; F110-Y131 HydrophobicContact CE2-CE2 3.89Å; S114-Y131 VanDerWaalsContact CB-OH 3.23Å; S114-Y131 WeakPolarHBondContact CB-OH 3.41Å; Y116-Y131 HydrophobicContact CD2-CD2 4.11Å; M125-Y131 HydrophobicContact CE-CD2 4.37Å; M125-Y131 HydrophobicContact CE-CE2 4.35Å; M125-Y131 HydrophobicContact SD-CD2 3.91Å; M125-Y131 HydrophobicContact SD-CE2 4.18Å; Y131-W133 AromaticContact CD1-CD2 3.74Å; Y131-W133 HydrophobicContact CD1-CD2 3.74Å; Y131-W133 AromaticContact CD1-CE2 3.53Å; Y131-W133 HydrophobicContact CD1-CE3 4.05Å; Y131-W133 HydrophobicContact CD1-CG 4.33Å; Y131-W133 HydrophobicContact CD1-CH2 4.01Å; Y131-W133 AromaticContact CD1-CZ2 3.68Å; Y131-W133 HydrophobicContact CD1-CZ2 3.68Å; Y131-W133 HydrophobicContact CD1-CZ3 4.19Å; Y131-W133 AromaticContact CD1-NE1 3.98Å; Y131-W133 AromaticContact CE1-CD1 3.82Å; Y131-W133 AromaticContact CE1-CD2 3.93Å; Y131-W133 HydrophobicContact CE1-CD2 3.93Å; Y131-W133 AromaticContact CE1-CE2 3.57Å; Y131-W133 HydrophobicContact CE1-CG 4.1Å; Y131-W133 HydrophobicContact CE1-CZ2 4.06Å; Y131-W133 AromaticContact CE1-NE1 3.5Å; Y131-W133 HydrophobicContact CG-CZ2 4.48Å; Y131-I138 CarbonylContact O-C 3.45Å; Y131-I138 WeakPolarHBondContact O-CA 3.47Å; Y131-L139 PolarHBondContact N-O 3.27Å; Y131-L139 PolarHBondContact O-N 2.85Å; Y131-L176 HydrophobicContact CE2-CB 4.47Å; Y131-N177 PolarHBondContact OH-O 2.8Å
132Y85.6Confident89.5Confident34 Ų3439.2 Ų39.213%0.13321%0.212CC..EExtended strand (participates in β ladder)trans-125130.6-176.4-57.2-100000109V76 S114 Y115 I130 I138V76-Y132 HydrophobicContact CB-CD1 4.17Å; V76-Y132 HydrophobicContact CG1-CD1 3.97Å; V76-Y132 HydrophobicContact CG1-CG 4.22Å; V76-Y132 HydrophobicContact CG2-CD1 3.28Å; V76-Y132 HydrophobicContact CG2-CE1 3.39Å; V76-Y132 HydrophobicContact CG2-CG 4.28Å; S114-Y132 WeakPolarHBondContact CA-O 3.33Å; Y115-Y132 AromaticContact CD1-CD2 3.4Å; Y115-Y132 HydrophobicContact CD1-CD2 3.4Å; Y115-Y132 AromaticContact CD1-CE2 3.7Å; Y115-Y132 HydrophobicContact CD1-CE2 3.7Å; Y115-Y132 HydrophobicContact CD1-CG 4.13Å; Y115-Y132 HydrophobicContact CE1-CD2 4.06Å; Y115-Y132 AromaticContact CE1-CE2 3.87Å; Y115-Y132 HydrophobicContact CE1-CE2 3.87Å; Y115-Y132 HydrophobicContact CG-CD2 4.41Å; Y115-Y132 PolarHBondContact N-O 2.82Å; Y115-Y132 PolarHBondContact O-N 2.82Å; I130-Y132 HydrophobicContact CB-CD2 4.45Å; I130-Y132 HydrophobicContact CB-CE2 3.64Å; I130-Y132 HydrophobicContact CG2-CD2 4Å; I130-Y132 HydrophobicContact CG2-CE1 3.92Å; I130-Y132 HydrophobicContact CG2-CE2 3.35Å; I130-Y132 WeakPolarHBondContact CG2-OH 3.37Å; Y132-I138 HydrophobicContact CD1-CB 4.33Å; Y132-I138 HydrophobicContact CD1-CD1 4.08Å; Y132-I138 HydrophobicContact CD1-CG1 3.78Å; Y132-I138 HydrophobicContact CD1-CG2 3.91Å; Y132-I138 HydrophobicContact CE1-CD1 3.93Å; Y132-I138 HydrophobicContact CE1-CG1 4.09Å; Y132-I138 HydrophobicContact CE1-CG2 3.77Å
133W84.2Confident89.4Confident9 Ų936.3 Ų36.33%0.03420%0.197CC..  trans-100148.8175-69.2-90.6000111.1Y131 N135 G136 Y137 L139 L176 N182 F183Y131-W133 AromaticContact CD1-CD2 3.74Å; Y131-W133 HydrophobicContact CD1-CD2 3.74Å; Y131-W133 AromaticContact CD1-CE2 3.53Å; Y131-W133 HydrophobicContact CD1-CE3 4.05Å; Y131-W133 HydrophobicContact CD1-CG 4.33Å; Y131-W133 HydrophobicContact CD1-CH2 4.01Å; Y131-W133 AromaticContact CD1-CZ2 3.68Å; Y131-W133 HydrophobicContact CD1-CZ2 3.68Å; Y131-W133 HydrophobicContact CD1-CZ3 4.19Å; Y131-W133 AromaticContact CD1-NE1 3.98Å; Y131-W133 AromaticContact CE1-CD1 3.82Å; Y131-W133 AromaticContact CE1-CD2 3.93Å; Y131-W133 HydrophobicContact CE1-CD2 3.93Å; Y131-W133 AromaticContact CE1-CE2 3.57Å; Y131-W133 HydrophobicContact CE1-CG 4.1Å; Y131-W133 HydrophobicContact CE1-CZ2 4.06Å; Y131-W133 AromaticContact CE1-NE1 3.5Å; Y131-W133 HydrophobicContact CG-CZ2 4.48Å; W133-N135 WeakPolarHBondContact CB-OD1 3.23Å; W133-N135 PolarHBondContact O-N 3.47Å; W133-G136 PolarHBondContact O-N 3.16Å; W133-Y137 PolarHBondContact N-O 3.28Å; W133-L139 HydrophobicContact CH2-CB 3.35Å; W133-L139 HydrophobicContact CH2-CD2 3.8Å; W133-L139 HydrophobicContact CH2-CG 4.18Å; W133-L139 HydrophobicContact CZ3-CB 3.36Å; W133-L176 HydrophobicContact CZ2-CD1 4.44Å; W133-L176 HydrophobicContact CZ2-CD2 3.68Å; W133-N182 VanDerWaalsContact CD1-C 3.47Å; W133-F183 HydrophobicContact CD2-CB 3.76Å; W133-F183 HydrophobicContact CD2-CD2 4.3Å; W133-F183 HydrophobicContact CD2-CG 4.5Å; W133-F183 HydrophobicContact CE3-CB 3.96Å; W133-F183 HydrophobicContact CE3-CD2 4.12Å; W133-F183 HydrophobicContact CE3-CG 4.38Å; W133-F183 HydrophobicContact CG-CB 4.01Å; W133-F183 AromaticContact CH2-CD2 3.55Å; W133-F183 HydrophobicContact CH2-CD2 3.55Å; W133-F183 HydrophobicContact CH2-CE2 4.12Å; W133-F183 AromaticContact CZ2-CD2 3.75Å; W133-F183 HydrophobicContact CZ2-CD2 3.75Å; W133-F183 HydrophobicContact CZ3-CB 4.44Å; W133-F183 AromaticContact CZ3-CD2 3.74Å; W133-F183 HydrophobicContact CZ3-CD2 3.74Å; W133-F183 HydrophobicContact CZ3-CE2 4.46Å; W133-F183 HydrophobicContact CZ3-CG 4.39Å
134P79Confident89.4Confident65 Ų6539.4 Ų39.442%0.42221%0.21SC..THydrogen-bonded Turntrans-53.4-24.2173.1-28.533.4000114.9S114 G136 K181S114-P134 WeakPolarHBondContact OG-CD 3.44Å; P134-G136 PolarHBondContact O-N 2.93Å; P134-K181 VanDerWaalsContact CD-O 3.3Å; P134-K181 WeakPolarHBondContact CD-O 3.4Å
135N78.8Confident89.3Confident52 Ų5238.4 Ų38.428%0.27821%0.206SC..THydrogen-bonded Turntrans-83.211.5177.572-20.4000114W133 Y137 F183W133-N135 WeakPolarHBondContact CB-OD1 3.23Å; W133-N135 PolarHBondContact O-N 3.47Å; N135-Y137 WeakPolarHBondContact ND2-CD2 3Å; N135-Y137 WeakPolarHBondContact OD1-CD2 3.38Å; N135-F183 PolarHBondContact ND2-N 3.2Å; N135-F183 PolarHBondContact ND2-O 2.69Å
136G80.9Confident89.2Confident34 Ų3439.3 Ų39.335%0.35121%0.211SC..SBendtrans89.3-5.8173.900000115.2W133 P134W133-G136 PolarHBondContact O-N 3.16Å; P134-G136 PolarHBondContact O-N 2.93Å
137Y83.4Confident88.8Confident33 Ų3339.5 Ų39.513%0.12921%0.212CC..  trans-72.8148176.8-77.4-104000111.5W133 N135 I156 I157 D158 F183 E185W133-Y137 PolarHBondContact N-O 3.28Å; N135-Y137 WeakPolarHBondContact ND2-CD2 3Å; N135-Y137 WeakPolarHBondContact OD1-CD2 3.38Å; Y137-I156 HydrophobicContact CD1-CG2 4.18Å; Y137-I157 CarbonylContact C-O 3.57Å; Y137-I157 WeakPolarHBondContact CA-O 3.33Å; Y137-D158 HydrophobicContact CD1-CB 4.13Å; Y137-D158 HydrophobicContact CE1-CB 3.61Å; Y137-D158 HydrophobicContact CE2-CB 4.44Å; Y137-F183 HydrophobicContact CD1-CB 4.08Å; Y137-F183 AromaticContact CD1-CD1 3.19Å; Y137-F183 HydrophobicContact CD1-CD1 3.19Å; Y137-F183 AromaticContact CD1-CE1 3.75Å; Y137-F183 HydrophobicContact CD1-CE1 3.75Å; Y137-F183 AromaticContact CD1-CG 3.76Å; Y137-F183 HydrophobicContact CD1-CG 3.76Å; Y137-F183 HydrophobicContact CD2-CB 4.05Å; Y137-F183 HydrophobicContact CD2-CD1 4.33Å; Y137-F183 AromaticContact CE1-CD1 3.43Å; Y137-F183 HydrophobicContact CE1-CD1 3.43Å; Y137-F183 VanDerWaalsContact CE1-CD1 3.43Å; Y137-F183 AromaticContact CE1-CE1 3.82Å; Y137-F183 HydrophobicContact CE1-CE1 3.82Å; Y137-F183 HydrophobicContact CE1-CG 4.39Å; Y137-F183 HydrophobicContact CG-CB 3.63Å; Y137-F183 AromaticContact CG-CD1 3.68Å; Y137-F183 HydrophobicContact CG-CD1 3.68Å; Y137-F183 AromaticContact CG-CG 3.84Å; Y137-F183 HydrophobicContact CG-CG 3.84Å; Y137-E185 HydrophobicContact CE1-CG 4.42Å; Y137-E185 PolarHBondContact OH-OE1 2.91Å; Y137-E185 VanDerWaalsContact OH-OE1 3.06Å
138I87.3Confident88.4Confident29 Ų2939.1 Ų39.115%0.14921%0.205CC..EExtended strand (participates in β ladder)trans-128.3132.8176.9-48.7-180000108.5I130 Y131 Y132 I156 I157I130-I138 HydrophobicContact CG2-CG2 3.38Å; Y131-I138 CarbonylContact O-C 3.45Å; Y131-I138 WeakPolarHBondContact O-CA 3.47Å; Y132-I138 HydrophobicContact CD1-CB 4.33Å; Y132-I138 HydrophobicContact CD1-CD1 4.08Å; Y132-I138 HydrophobicContact CD1-CG1 3.78Å; Y132-I138 HydrophobicContact CD1-CG2 3.91Å; Y132-I138 HydrophobicContact CE1-CD1 3.93Å; Y132-I138 HydrophobicContact CE1-CG1 4.09Å; Y132-I138 HydrophobicContact CE1-CG2 3.77Å; I138-I156 CarbonylContact O-C 3.58Å; I138-I156 VanDerWaalsContact O-CA 3.3Å; I138-I156 WeakPolarHBondContact O-CA 3.3Å; I138-I157 HydrophobicContact CB-CB 4.14Å; I138-I157 HydrophobicContact CB-CD1 4.37Å; I138-I157 HydrophobicContact CD1-CD1 4.42Å; I138-I157 PolarHBondContact N-O 2.98Å; I138-I157 PolarHBondContact O-N 3.17Å
139L88.8Confident88.1Confident0 Ų036.9 Ų36.90%019%0.192CC..EExtended strand (participates in β ladder)trans-120.4119.4171.9168.574.2000109.2I130 Y131 W133 A141 F143 I148 I154 E155 I156 L176 M188I130-L139 CarbonylContact C-O 3.56Å; I130-L139 WeakPolarHBondContact CA-O 3.21Å; Y131-L139 PolarHBondContact N-O 3.27Å; Y131-L139 PolarHBondContact O-N 2.85Å; W133-L139 HydrophobicContact CH2-CB 3.35Å; W133-L139 HydrophobicContact CH2-CD2 3.8Å; W133-L139 HydrophobicContact CH2-CG 4.18Å; W133-L139 HydrophobicContact CZ3-CB 3.36Å; L139-A141 HydrophobicContact CD1-CB 4.09Å; L139-A141 HydrophobicContact CD2-CB 4.17Å; L139-A141 HydrophobicContact CG-CB 3.95Å; L139-F143 HydrophobicContact CD2-CZ 4.21Å; L139-I148 HydrophobicContact CD1-CD1 4.41Å; L139-I148 HydrophobicContact CD2-CD1 3.52Å; L139-I148 HydrophobicContact CD2-CG1 4.08Å; L139-I154 HydrophobicContact CD1-CB 3.97Å; L139-I154 HydrophobicContact CD1-CD1 4.22Å; L139-I154 HydrophobicContact CD1-CG2 4.28Å; L139-E155 CarbonylContact C-O 3.58Å; L139-E155 WeakPolarHBondContact CA-O 3.31Å; L139-I156 HydrophobicContact CD1-CG1 3.97Å; L139-L176 HydrophobicContact CD2-CD1 3.81Å; L139-M188 HydrophobicContact CD2-CE 4.32Å
140K91.7Very high87.8Confident73 Ų7340.8 Ų40.832%0.31721%0.211SC..EExtended strand (participates in β ladder)trans-98.7122.9165.4-47.1179.7-168.3155.30108.1I130 I154 E155I130-K140 HydrophobicContact CD1-CD 4.49Å; I130-K140 HydrophobicContact CD1-CG 4.36Å; I130-K140 HydrophobicContact CG1-CG 4.08Å; I130-K140 HydrophobicContact CG2-CG 4.03Å; K140-I154 WeakPolarHBondContact O-CA 3.48Å; K140-E155 HydrophobicContact CB-CB 4.14Å; K140-E155 HydrophobicContact CD-CB 4.42Å; K140-E155 WeakPolarHBondContact CD-OE2 3.27Å; K140-E155 HydrophobicContact CG-CB 4.44Å; K140-E155 PolarHBondContact N-O 2.97Å; K140-E155 VanDerWaalsContact NZ-CD 3.28Å; K140-E155 IonicContact NZ-OE1 2.71Å; K140-E155 PolarHBondContact NZ-OE1 3.41Å; K140-E155 IonicContact NZ-OE2 3.24Å; K140-E155 PolarHBondContact NZ-OE2 2.89Å; K140-E155 PolarHBondContact O-N 3.38Å
141A92.5Very high87.6Confident4 Ų442.2 Ų42.23%0.03322%0.219CC..EExtended strand (participates in β ladder)trans-152.9163.4-174.500000112.7G129 L139 F143 I148 I154G129-A141 PolarHBondContact N-O 2.63Å; G129-A141 PolarHBondContact O-N 3.03Å; L139-A141 HydrophobicContact CD1-CB 4.09Å; L139-A141 HydrophobicContact CD2-CB 4.17Å; L139-A141 HydrophobicContact CG-CB 3.95Å; A141-F143 HydrophobicContact CB-CD2 4.37Å; A141-F143 HydrophobicContact CB-CE2 3.78Å; A141-F143 HydrophobicContact CB-CZ 4.02Å; A141-F143 WeakPolarHBondContact O-CD2 3.44Å; A141-F143 WeakPolarHBondContact O-CE2 3.23Å; A141-I148 HydrophobicContact CB-CG1 4.26Å; A141-I148 HydrophobicContact CB-CG2 4.11Å; A141-I154 HydrophobicContact CB-CG2 3.78Å
142Q94Very high87.6Confident50 Ų5042.7 Ų42.723%0.23422%0.222CC..EExtended strand (participates in β ladder)trans-86.1126.5162.9179.668.138.700108.6L128 I148 Q149L128-Q142 HydrophobicContact CD2-CB 4.34Å; L128-Q142 VanDerWaalsContact CD2-OE1 3.3Å; Q142-I148 CarbonylContact O-C 3.55Å; Q142-I148 WeakPolarHBondContact O-CA 3.43Å; Q142-Q149 HydrophobicContact CB-CB 4.08Å; Q142-Q149 HydrophobicContact CG-CB 3.74Å; Q142-Q149 HydrophobicContact CG-CG 4.35Å; Q142-Q149 PolarHBondContact O-N 2.97Å
143F91.3Very high87.7Confident1 Ų146.6 Ų46.60%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-106.8147178.1-63.6-96.9000111.2Y116 M125 G127 L139 A141 N147 I148 L176Y116-F143 HydrophobicContact CD2-CE2 4.49Å; Y116-F143 HydrophobicContact CD2-CZ 4.49Å; Y116-F143 AromaticContact CE2-CD2 3.91Å; Y116-F143 HydrophobicContact CE2-CD2 3.91Å; Y116-F143 AromaticContact CE2-CE2 3.72Å; Y116-F143 HydrophobicContact CE2-CE2 3.72Å; Y116-F143 HydrophobicContact CE2-CG 4.45Å; Y116-F143 HydrophobicContact CE2-CZ 4.09Å; M125-F143 HydrophobicContact CB-CB 4.12Å; M125-F143 HydrophobicContact CB-CD1 4.22Å; M125-F143 HydrophobicContact CB-CG 4.19Å; M125-F143 HydrophobicContact CE-CD1 4.18Å; M125-F143 HydrophobicContact CE-CE1 4.17Å; M125-F143 HydrophobicContact SD-CD1 4.48Å; M125-F143 HydrophobicContact SD-CE1 4.37Å; G127-F143 PolarHBondContact N-O 3.24Å; G127-F143 PolarHBondContact O-N 3.11Å; L139-F143 HydrophobicContact CD2-CZ 4.21Å; A141-F143 HydrophobicContact CB-CD2 4.37Å; A141-F143 HydrophobicContact CB-CE2 3.78Å; A141-F143 HydrophobicContact CB-CZ 4.02Å; A141-F143 WeakPolarHBondContact O-CD2 3.44Å; A141-F143 WeakPolarHBondContact O-CE2 3.23Å; F143-N147 CarbonylContact C-O 3.45Å; F143-N147 WeakPolarHBondContact CA-O 3.35Å; F143-I148 HydrophobicContact CE1-CG1 4.33Å; F143-L176 HydrophobicContact CE1-CD1 3.76Å; F143-L176 HydrophobicContact CZ-CD1 4.4Å
144E92.7Very high88Confident114 Ų11446.6 Ų46.653%0.53325%0.245SC..EExtended strand (participates in β ladder)trans-135.2113.4166.7-179.9177.6-147.700107.5N146 N147E144-N146 PolarHBondContact O-N 2.94Å; E144-N147 PolarHBondContact N-O 2.9Å; E144-N147 WeakPolarHBondContact O-CB 3.19Å; E144-N147 PolarHBondContact O-N 3.45Å
145Q91.5Very high88.4Confident61 Ų6145.3 Ų45.329%0.28523%0.234SC..THydrogen-bonded Turntrans52.648175-57.7-73.33.600114K124 M125 D126 N147K124-Q145 HydrophobicContact CD-CB 4.28Å; M125-Q145 PolarHBondContact O-N 3.04Å; D126-Q145 PolarHBondContact OD1-N 2.76Å; D126-Q145 VanDerWaalsContact OD1-N 3.17Å; Q145-N147 VanDerWaalsContact C-N 3.28Å; Q145-N147 PolarHBondContact O-N 2.88Å
146N89.6Confident88.8Confident22 Ų2243.1 Ų43.112%0.11822%0.222CC..THydrogen-bonded Turntrans71.7-3.3-173-61.6-22.1000117K124 M125 E144 K175K124-N146 WeakPolarHBondContact CA-OD1 3.48Å; K124-N146 WeakPolarHBondContact CB-OD1 3.19Å; M125-N146 HydrophobicContact CE-CB 4.02Å; M125-N146 PolarHBondContact N-OD1 3.41Å; M125-N146 PolarHBondContact O-N 2.95Å; E144-N146 PolarHBondContact O-N 2.94Å; N146-K175 HydrophobicContact CB-CG 4.47Å
147N87Confident89Confident46 Ų4642.7 Ų42.725%0.24621%0.211CC..EExtended strand (participates in β ladder)trans-99.3149.2177-55.1-62.2000110.3F143 E144 Q145 Q149F143-N147 CarbonylContact C-O 3.45Å; F143-N147 WeakPolarHBondContact CA-O 3.35Å; E144-N147 PolarHBondContact N-O 2.9Å; E144-N147 WeakPolarHBondContact O-CB 3.19Å; E144-N147 PolarHBondContact O-N 3.45Å; Q145-N147 VanDerWaalsContact C-N 3.28Å; Q145-N147 PolarHBondContact O-N 2.88Å; N147-Q149 PolarHBondContact O-N 3.18Å
148I88.7Confident88.9Confident10 Ų1042.1 Ų42.15%0.05121%0.21CC..EExtended strand (participates in β ladder)trans-66.4130.3165.3-58.2168.7000107.8L139 A141 Q142 F143 N150 I154 F168 L176 M188L139-I148 HydrophobicContact CD1-CD1 4.41Å; L139-I148 HydrophobicContact CD2-CD1 3.52Å; L139-I148 HydrophobicContact CD2-CG1 4.08Å; A141-I148 HydrophobicContact CB-CG1 4.26Å; A141-I148 HydrophobicContact CB-CG2 4.11Å; Q142-I148 CarbonylContact O-C 3.55Å; Q142-I148 WeakPolarHBondContact O-CA 3.43Å; F143-I148 HydrophobicContact CE1-CG1 4.33Å; I148-N150 PolarHBondContact O-N 3.17Å; I148-I154 HydrophobicContact CG2-CG2 3.82Å; I148-F168 HydrophobicContact CB-CD1 3.81Å; I148-F168 HydrophobicContact CB-CD2 4.46Å; I148-F168 HydrophobicContact CB-CE1 3.78Å; I148-F168 HydrophobicContact CB-CE2 4.43Å; I148-F168 HydrophobicContact CB-CG 4.17Å; I148-F168 HydrophobicContact CB-CZ 4.1Å; I148-F168 HydrophobicContact CD1-CD2 4.14Å; I148-F168 HydrophobicContact CD1-CE2 4Å; I148-F168 HydrophobicContact CD1-CZ 4.34Å; I148-F168 HydrophobicContact CG2-CB 3.86Å; I148-F168 HydrophobicContact CG2-CD1 3.45Å; I148-F168 VanDerWaalsContact CG2-CD1 3.45Å; I148-F168 HydrophobicContact CG2-CD2 4.12Å; I148-F168 HydrophobicContact CG2-CE1 3.98Å; I148-F168 HydrophobicContact CG2-CG 3.53Å; I148-L176 HydrophobicContact CD1-CD1 4.37Å; I148-L176 HydrophobicContact CG1-CD1 4.3Å; I148-M188 HydrophobicContact CD1-CE 3.51Å; I148-M188 HydrophobicContact CD1-SD 4.34Å
149Q89.5Confident88.7Confident81 Ų8144.3 Ų44.338%0.37923%0.228SC..PPolyproline II helixtrans-61.2126.2178.1-179.7179.874.700109.8Q142 N147 N151 S152Q142-Q149 HydrophobicContact CB-CB 4.08Å; Q142-Q149 HydrophobicContact CG-CB 3.74Å; Q142-Q149 HydrophobicContact CG-CG 4.35Å; Q142-Q149 PolarHBondContact O-N 2.97Å; N147-Q149 PolarHBondContact O-N 3.18Å; Q149-N151 PolarHBondContact O-N 3.28Å; Q149-S152 VanDerWaalsContact O-CB 3.26Å; Q149-S152 WeakPolarHBondContact O-CB 3.33Å; Q149-S152 PolarHBondContact O-N 3.24Å; Q149-S152 VanDerWaalsContact O-N 3.12Å; Q149-S152 PolarHBondContact O-OG 3.07Å
150N87.5Confident88.3Confident91 Ų9151.2 Ų51.249%0.48727%0.265SS..THydrogen-bonded Turntrans-59.4140179.9-173.944.4000111.1I148 S152 Q170I148-N150 PolarHBondContact O-N 3.17Å; N150-S152 PolarHBondContact O-N 2.71Å; N150-Q170 PolarHBondContact OD1-N 2.91Å; N150-Q170 VanDerWaalsContact OD1-N 3.11Å
151N86.9Confident87.9Confident77 Ų7750.2 Ų50.241%0.41228%0.276SS..THydrogen-bonded Turntrans64.47.2-177.1-161.349000115.1Q149 R167 F168Q149-N151 PolarHBondContact O-N 3.28Å; N151-R167 PolarHBondContact O-NH1 3.15Å; N151-R167 WeakPolarHBondContact OD1-CD 2.92Å; N151-F168 WeakPolarHBondContact CA-O 3.3Å; N151-F168 PolarHBondContact N-O 2.94Å
152S88.4Confident87.3Confident10 Ų1053.7 Ų53.77%0.0729%0.29CS..  trans-69.6155.5173.475.80000111.3Q149 N150 R167 F168Q149-S152 VanDerWaalsContact O-CB 3.26Å; Q149-S152 WeakPolarHBondContact O-CB 3.33Å; Q149-S152 PolarHBondContact O-N 3.24Å; Q149-S152 VanDerWaalsContact O-N 3.12Å; Q149-S152 PolarHBondContact O-OG 3.07Å; N150-S152 PolarHBondContact O-N 2.71Å; S152-R167 CarbonylContact O-C 3.57Å; S152-R167 WeakPolarHBondContact O-CA 3.34Å; S152-F168 PolarHBondContact O-N 2.79Å
153L88.9Confident87Confident117 Ų11754.3 Ų54.361%0.61329%0.293SS*.EExtended strand (participates in β ladder)trans-70.4138.6165.3-69.7171000108.9G166 R167L153-G166 WeakPolarHBondContact CA-O 3.35Å; L153-R167 HydrophobicContact CD2-CG 3.9Å
154I89.1Confident86.6Confident8 Ų856.5 Ų56.54%0.04130%0.301CS..EExtended strand (participates in β ladder)trans-127.9152.7170.964169.7000109.8L139 K140 A141 I148 I156 T165 G166 F168 M188 L192L139-I154 HydrophobicContact CD1-CB 3.97Å; L139-I154 HydrophobicContact CD1-CD1 4.22Å; L139-I154 HydrophobicContact CD1-CG2 4.28Å; K140-I154 WeakPolarHBondContact O-CA 3.48Å; A141-I154 HydrophobicContact CB-CG2 3.78Å; I148-I154 HydrophobicContact CG2-CG2 3.82Å; I154-I156 HydrophobicContact CD1-CD1 4.04Å; I154-I156 HydrophobicContact CD1-CG1 4.24Å; I154-T165 WeakPolarHBondContact O-CA 3.42Å; I154-G166 PolarHBondContact N-O 3Å; I154-G166 PolarHBondContact O-N 2.85Å; I154-G166 VanDerWaalsContact O-N 3.17Å; I154-F168 HydrophobicContact CD1-CB 4.25Å; I154-F168 HydrophobicContact CD1-CD2 4.26Å; I154-F168 HydrophobicContact CG1-CB 4.44Å; I154-F168 HydrophobicContact CG2-CB 3.86Å; I154-M188 HydrophobicContact CD1-SD 4.35Å; I154-L192 HydrophobicContact CD1-CD2 4.15Å; I154-L192 HydrophobicContact CG1-CD2 3.99Å
155E88.1Confident86.3Confident39 Ų3953.2 Ų53.218%0.18229%0.289CS..EExtended strand (participates in β ladder)trans-122.9128.2169.6-175.7-174.6150.300107.8L139 K140 I157 Q163 W164 T165L139-E155 CarbonylContact C-O 3.58Å; L139-E155 WeakPolarHBondContact CA-O 3.31Å; K140-E155 HydrophobicContact CB-CB 4.14Å; K140-E155 HydrophobicContact CD-CB 4.42Å; K140-E155 WeakPolarHBondContact CD-OE2 3.27Å; K140-E155 HydrophobicContact CG-CB 4.44Å; K140-E155 PolarHBondContact N-O 2.97Å; K140-E155 VanDerWaalsContact NZ-CD 3.28Å; K140-E155 IonicContact NZ-OE1 2.71Å; K140-E155 PolarHBondContact NZ-OE1 3.41Å; K140-E155 IonicContact NZ-OE2 3.24Å; K140-E155 PolarHBondContact NZ-OE2 2.89Å; K140-E155 PolarHBondContact O-N 3.38Å; E155-I157 HydrophobicContact CG-CG1 4.39Å; E155-Q163 HydrophobicContact CG-CG 3.71Å; E155-Q163 PolarHBondContact OE1-NE2 3.28Å; E155-Q163 VanDerWaalsContact OE1-NE2 3.15Å; E155-Q163 PolarHBondContact OE1-OE1 3.35Å; E155-W164 WeakPolarHBondContact CA-O 3.36Å; E155-T165 HydrophobicContact CB-CG2 4.23Å; E155-T165 HydrophobicContact CG-CG2 4.03Å
156I86.9Confident85.9Confident5 Ų550.9 Ų50.93%0.02628%0.282CS..EExtended strand (participates in β ladder)trans-115.9132.6174.8-56.6-178.6000107.3Y137 I138 L139 I154 Q163 W164 F183 M188 L192Y137-I156 HydrophobicContact CD1-CG2 4.18Å; I138-I156 CarbonylContact O-C 3.58Å; I138-I156 VanDerWaalsContact O-CA 3.3Å; I138-I156 WeakPolarHBondContact O-CA 3.3Å; L139-I156 HydrophobicContact CD1-CG1 3.97Å; I154-I156 HydrophobicContact CD1-CD1 4.04Å; I154-I156 HydrophobicContact CD1-CG1 4.24Å; I156-Q163 CarbonylContact O-C 3.47Å; I156-Q163 VanDerWaalsContact O-CA 3.31Å; I156-Q163 WeakPolarHBondContact O-CA 3.43Å; I156-W164 HydrophobicContact CG2-CE3 4.43Å; I156-W164 PolarHBondContact N-O 2.96Å; I156-W164 PolarHBondContact O-N 2.84Å; I156-F183 HydrophobicContact CD1-CE2 4.19Å; I156-F183 HydrophobicContact CD1-CZ 3.75Å; I156-F183 HydrophobicContact CG2-CE1 4.32Å; I156-F183 HydrophobicContact CG2-CZ 4.16Å; I156-M188 HydrophobicContact CD1-CB 4.49Å; I156-M188 HydrophobicContact CD1-SD 3.92Å; I156-L192 HydrophobicContact CD1-CD1 3.7Å; I156-L192 HydrophobicContact CG1-CD1 4.4Å
157I85.4Confident85.7Confident26 Ų2655.8 Ų55.813%0.13330%0.299CS..EExtended strand (participates in β ladder)trans-121.7129.1173.4-49.8162.1000106.6Y137 I138 E155 K162 Q163Y137-I157 CarbonylContact C-O 3.57Å; Y137-I157 WeakPolarHBondContact CA-O 3.33Å; I138-I157 HydrophobicContact CB-CB 4.14Å; I138-I157 HydrophobicContact CB-CD1 4.37Å; I138-I157 HydrophobicContact CD1-CD1 4.42Å; I138-I157 PolarHBondContact N-O 2.98Å; I138-I157 PolarHBondContact O-N 3.17Å; E155-I157 HydrophobicContact CG-CG1 4.39Å; I157-K162 CarbonylContact C-O 3.57Å; I157-K162 VanDerWaalsContact CA-O 3.27Å; I157-K162 WeakPolarHBondContact CA-O 3.39Å; I157-Q163 HydrophobicContact CG1-CB 4.46Å; I157-Q163 HydrophobicContact CG1-CG 4.18Å
158D82.1Confident85.4Confident20 Ų2054.9 Ų54.911%0.10729%0.292CS..  trans-82.5-180173.570.112.9000112.1Y137 D160 G161 K162 W164Y137-D158 HydrophobicContact CD1-CB 4.13Å; Y137-D158 HydrophobicContact CE1-CB 3.61Å; Y137-D158 HydrophobicContact CE2-CB 4.44Å; D158-D160 PolarHBondContact O-N 2.76Å; D158-D160 WeakPolarHBondContact OD1-CA 3.23Å; D158-D160 PolarHBondContact OD1-N 3.14Å; D158-G161 PolarHBondContact O-N 2.97Å; D158-G161 VanDerWaalsContact O-N 3.16Å; D158-G161 PolarHBondContact OD1-N 2.97Å; D158-K162 PolarHBondContact N-O 3.35Å; D158-K162 WeakPolarHBondContact OD1-CB 3.16Å; D158-K162 PolarHBondContact OD1-N 2.81Å; D158-K162 WeakPolarHBondContact OD2-CB 3.48Å; D158-W164 HydrophobicContact CB-CH2 4.03Å; D158-W164 HydrophobicContact CB-CZ3 3.79Å; D158-W164 VanDerWaalsContact OD2-CH2 3.3Å; D158-W164 WeakPolarHBondContact OD2-CH2 3.5Å
159S81.4Confident84.8Confident75 Ų7560.8 Ų60.852%0.52432%0.318SS..THydrogen-bonded Turntrans-65.2-20.3178.256.40000114.2
160D82.3Confident83.7Confident146 Ų14660.9 Ų60.978%0.78132%0.318SS*.THydrogen-bonded Turntrans-93-0.3178.7-64.2-30.1000111.8D158D158-D160 PolarHBondContact O-N 2.76Å; D158-D160 WeakPolarHBondContact OD1-CA 3.23Å; D158-D160 PolarHBondContact OD1-N 3.14Å
161G81.3Confident82.2Confident52 Ų5260 Ų6054%0.53632%0.319SS..  trans84.56-179.800000114.4D158D158-G161 PolarHBondContact O-N 2.97Å; D158-G161 VanDerWaalsContact O-N 3.16Å; D158-G161 PolarHBondContact OD1-N 2.97Å
162K81.9Confident80.5Confident76 Ų7664.3 Ų64.333%0.3334%0.337SS..  trans-69.4136174.5-176.6173.7172.9165.60109.4I157 D158 W164 E194I157-K162 CarbonylContact C-O 3.57Å; I157-K162 VanDerWaalsContact CA-O 3.27Å; I157-K162 WeakPolarHBondContact CA-O 3.39Å; D158-K162 PolarHBondContact N-O 3.35Å; D158-K162 WeakPolarHBondContact OD1-CB 3.16Å; D158-K162 PolarHBondContact OD1-N 2.81Å; D158-K162 WeakPolarHBondContact OD2-CB 3.48Å; K162-W164 HydrophobicContact CB-CH2 3.86Å; K162-W164 HydrophobicContact CB-CZ2 4.4Å; K162-W164 HydrophobicContact CB-CZ3 4.09Å; K162-W164 HydrophobicContact CD-CH2 3.6Å; K162-W164 HydrophobicContact CD-CZ2 3.34Å; K162-W164 HydrophobicContact CD-CZ3 4.48Å; K162-W164 HydrophobicContact CG-CE3 4.48Å; K162-W164 HydrophobicContact CG-CH2 3.63Å; K162-W164 HydrophobicContact CG-CZ2 3.68Å; K162-W164 HydrophobicContact CG-CZ3 4.04Å; K162-W164 WeakPolarHBondContact O-CZ3 3.35Å; K162-E194 WeakPolarHBondContact CE-OE1 3.44Å; K162-E194 VanDerWaalsContact CE-OE2 3.29Å; K162-E194 WeakPolarHBondContact CE-OE2 3.43Å; K162-E194 IonicContact NZ-OE1 2.74Å; K162-E194 PolarHBondContact NZ-OE1 3.01Å; K162-E194 IonicContact NZ-OE2 2.79Å; K162-E194 PolarHBondContact NZ-OE2 3.11Å
163Q85.9Confident78.8Confident64 Ų6469.9 Ų69.930%0.29936%0.361SS..EExtended strand (participates in β ladder)trans-117.9139-172-174.7-179.8-33.700111.8E155 I156 I157 Y195E155-Q163 HydrophobicContact CG-CG 3.71Å; E155-Q163 PolarHBondContact OE1-NE2 3.28Å; E155-Q163 VanDerWaalsContact OE1-NE2 3.15Å; E155-Q163 PolarHBondContact OE1-OE1 3.35Å; I156-Q163 CarbonylContact O-C 3.47Å; I156-Q163 VanDerWaalsContact O-CA 3.31Å; I156-Q163 WeakPolarHBondContact O-CA 3.43Å; I157-Q163 HydrophobicContact CG1-CB 4.46Å; I157-Q163 HydrophobicContact CG1-CG 4.18Å; Q163-Y195 PolarHBondContact O-N 3.1Å
164W84Confident77.1Confident46 Ų4667.5 Ų67.517%0.17435%0.347CS..EExtended strand (participates in β ladder)trans-126.9144170.3-59.4-95.3000110.4E155 I156 D158 K162 L192E155-W164 WeakPolarHBondContact CA-O 3.36Å; I156-W164 HydrophobicContact CG2-CE3 4.43Å; I156-W164 PolarHBondContact N-O 2.96Å; I156-W164 PolarHBondContact O-N 2.84Å; D158-W164 HydrophobicContact CB-CH2 4.03Å; D158-W164 HydrophobicContact CB-CZ3 3.79Å; D158-W164 VanDerWaalsContact OD2-CH2 3.3Å; D158-W164 WeakPolarHBondContact OD2-CH2 3.5Å; K162-W164 HydrophobicContact CB-CH2 3.86Å; K162-W164 HydrophobicContact CB-CZ2 4.4Å; K162-W164 HydrophobicContact CB-CZ3 4.09Å; K162-W164 HydrophobicContact CD-CH2 3.6Å; K162-W164 HydrophobicContact CD-CZ2 3.34Å; K162-W164 HydrophobicContact CD-CZ3 4.48Å; K162-W164 HydrophobicContact CG-CE3 4.48Å; K162-W164 HydrophobicContact CG-CH2 3.63Å; K162-W164 HydrophobicContact CG-CZ2 3.68Å; K162-W164 HydrophobicContact CG-CZ3 4.04Å; K162-W164 WeakPolarHBondContact O-CZ3 3.35Å; W164-L192 HydrophobicContact CB-CB 4.01Å; W164-L192 HydrophobicContact CB-CD1 4.14Å
165T85.4Confident75.6Confident46 Ų4672.7 Ų72.728%0.28237%0.369SS..EExtended strand (participates in β ladder)trans-130.6151.1173.663.10000111I154 E155 L192 N193I154-T165 WeakPolarHBondContact O-CA 3.42Å; E155-T165 HydrophobicContact CB-CG2 4.23Å; E155-T165 HydrophobicContact CG-CG2 4.03Å; T165-L192 CarbonylContact O-C 3.58Å; T165-L192 WeakPolarHBondContact O-CA 3.33Å; T165-N193 PolarHBondContact N-O 3.06Å; T165-N193 VanDerWaalsContact N-O 3.12Å; T165-N193 PolarHBondContact O-N 2.79Å
166G84.6Confident74.4Confident12 Ų1271 Ų7112%0.12436%0.361CS..EExtended strand (participates in β ladder)trans170-174.9172.500000112.4L153 I154 L192L153-G166 WeakPolarHBondContact CA-O 3.35Å; I154-G166 PolarHBondContact N-O 3Å; I154-G166 PolarHBondContact O-N 2.85Å; I154-G166 VanDerWaalsContact O-N 3.17Å; G166-L192 VanDerWaalsContact CA-CD2 3.49Å
167R84.2Confident73.2Confident125 Ų12573.1 Ų73.147%0.47237%0.373SS..EExtended strand (participates in β ladder)trans-88.1122.6-179.7-72.2-174.2175.5-88.80.3110N151 S152 L153 K169N151-R167 PolarHBondContact O-NH1 3.15Å; N151-R167 WeakPolarHBondContact OD1-CD 2.92Å; S152-R167 CarbonylContact O-C 3.57Å; S152-R167 WeakPolarHBondContact O-CA 3.34Å; L153-R167 HydrophobicContact CD2-CG 3.9Å; R167-K169 PolarHBondContact O-N 3.29Å
168F81.1Confident71.9Confident27 Ų2774.8 Ų74.812%0.11838%0.38CS..  trans-62.4122.9170.3-178.9-108.6000109.2I148 N151 S152 I154 Q170I148-F168 HydrophobicContact CB-CD1 3.81Å; I148-F168 HydrophobicContact CB-CD2 4.46Å; I148-F168 HydrophobicContact CB-CE1 3.78Å; I148-F168 HydrophobicContact CB-CE2 4.43Å; I148-F168 HydrophobicContact CB-CG 4.17Å; I148-F168 HydrophobicContact CB-CZ 4.1Å; I148-F168 HydrophobicContact CD1-CD2 4.14Å; I148-F168 HydrophobicContact CD1-CE2 4Å; I148-F168 HydrophobicContact CD1-CZ 4.34Å; I148-F168 HydrophobicContact CG2-CB 3.86Å; I148-F168 HydrophobicContact CG2-CD1 3.45Å; I148-F168 VanDerWaalsContact CG2-CD1 3.45Å; I148-F168 HydrophobicContact CG2-CD2 4.12Å; I148-F168 HydrophobicContact CG2-CE1 3.98Å; I148-F168 HydrophobicContact CG2-CG 3.53Å; N151-F168 WeakPolarHBondContact CA-O 3.3Å; N151-F168 PolarHBondContact N-O 2.94Å; S152-F168 PolarHBondContact O-N 2.79Å; I154-F168 HydrophobicContact CD1-CB 4.25Å; I154-F168 HydrophobicContact CD1-CD2 4.26Å; I154-F168 HydrophobicContact CG1-CB 4.44Å; I154-F168 HydrophobicContact CG2-CB 3.86Å; F168-Q170 HydrophobicContact CE1-CB 4.03Å; F168-Q170 HydrophobicContact CZ-CB 4.48Å
169K75.4Confident70.9Confident133 Ų13382.1 Ų82.158%0.57841%0.411SS*.  trans-119.1116171-75.5-170.6177.9179.50108.2R167 S171R167-K169 PolarHBondContact O-N 3.29Å; K169-S171 PolarHBondContact O-N 2.78Å; K169-S171 VanDerWaalsContact O-N 3.1Å
170Q66.4Low70Confident84 Ų8479.4 Ų79.439%0.39339%0.391SS..  trans-70.5104-179.9-170.9-172.9-52.900110.2N150 F168 Q173N150-Q170 PolarHBondContact OD1-N 2.91Å; N150-Q170 VanDerWaalsContact OD1-N 3.11Å; F168-Q170 HydrophobicContact CE1-CB 4.03Å; F168-Q170 HydrophobicContact CZ-CB 4.48Å; Q170-Q173 HydrophobicContact CG-CG 3.58Å
171S55.6Low68.9Low73 Ų7379 Ų7951%0.5138%0.382SS..SBendtrans-103-36.4169.269.60000112.3K169K169-S171 PolarHBondContact O-N 2.78Å; K169-S171 VanDerWaalsContact O-N 3.1Å
172H52.2Low68Low167 Ų16781.5 Ų81.577%0.77338%0.383SS*.SBendtrans-139.8119.8168.1-68.681.4000107.8Q174H172-Q174 PolarHBondContact O-N 3.17Å
173Q52.4Low67.1Low126 Ų12678.8 Ų78.859%0.58937%0.371SS*.  trans-67.2127-178.3-74.8-178-39.500110.6Q170Q170-Q173 HydrophobicContact CG-CG 3.58Å
174Q54.3Low65.8Low67 Ų6779 Ų7931%0.31337%0.374SS..  trans-101.3114.7150.2-168.8173.913.800107.4H172 L176 D180H172-Q174 PolarHBondContact O-N 3.17Å; Q174-L176 PolarHBondContact O-N 2.95Å; Q174-L176 VanDerWaalsContact O-N 3.14Å; Q174-D180 PolarHBondContact NE2-OD1 3.14Å
175K56.9Low64.2Low118 Ų11881 Ų8151%0.51339%0.386SS..  trans-67.3108.3163.2179.8179.9-178.4179.60106.3N146 N177N146-K175 HydrophobicContact CB-CG 4.47Å; K175-N177 PolarHBondContact O-N 3.42Å; K175-N177 PolarHBondContact O-ND2 2.88Å
176L62.3Low62.4Low2 Ų284.2 Ų84.21%0.0141%0.406CS..  trans-61.2122.8171.2-71.7171.5000107.7M125 Y131 W133 L139 F143 I148 Q174 D180M125-L176 HydrophobicContact CE-CB 3.97Å; Y131-L176 HydrophobicContact CE2-CB 4.47Å; W133-L176 HydrophobicContact CZ2-CD1 4.44Å; W133-L176 HydrophobicContact CZ2-CD2 3.68Å; L139-L176 HydrophobicContact CD2-CD1 3.81Å; F143-L176 HydrophobicContact CE1-CD1 3.76Å; F143-L176 HydrophobicContact CZ-CD1 4.4Å; I148-L176 HydrophobicContact CD1-CD1 4.37Å; I148-L176 HydrophobicContact CG1-CD1 4.3Å; Q174-L176 PolarHBondContact O-N 2.95Å; Q174-L176 VanDerWaalsContact O-N 3.14Å; L176-D180 VanDerWaalsContact CA-OD2 3.23Å; L176-D180 WeakPolarHBondContact CA-OD2 3.29Å
177N63Low60.7Low51 Ų5188.5 Ų88.527%0.27342%0.422SS..  trans-140.1162.7-170.67281.6000111.4Y131 K175 K179 D180Y131-N177 PolarHBondContact OH-O 2.8Å; K175-N177 PolarHBondContact O-N 3.42Å; K175-N177 PolarHBondContact O-ND2 2.88Å; N177-K179 PolarHBondContact O-N 2.74Å; N177-K179 WeakPolarHBondContact OD1-CA 3.12Å; N177-K179 VanDerWaalsContact OD1-CB 3.23Å; N177-K179 WeakPolarHBondContact OD1-CB 3.41Å; N177-K179 PolarHBondContact OD1-N 3.38Å; N177-D180 PolarHBondContact N-OD2 3.3Å; N177-D180 PolarHBondContact ND2-OD1 2.79Å; N177-D180 PolarHBondContact ND2-OD2 3.12Å; N177-D180 WeakPolarHBondContact O-CB 3.32Å; N177-D180 PolarHBondContact O-N 3.14Å
178E56.9Low59.1Low61 Ų6183.6 Ų83.629%0.28541%0.405SS..THydrogen-bonded Turntrans-57.1-11-176.5-52.7167.5-177.300114.2F41 R42 F110 S112F41-E178 WeakPolarHBondContact CZ-OE1 3.41Å; R42-E178 IonicContact CZ-OE1 3.37Å; R42-E178 IonicContact CZ-OE2 3.32Å; R42-E178 IonicContact NE-OE1 3.67Å; R42-E178 PolarHBondContact NE-OE1 3.07Å; R42-E178 VanDerWaalsContact NH2-CD 3.26Å; R42-E178 IonicContact NH2-OE1 2.69Å; R42-E178 PolarHBondContact NH2-OE1 3.12Å; R42-E178 IonicContact NH2-OE2 2.71Å; R42-E178 PolarHBondContact NH2-OE2 2.89Å; F110-E178 HydrophobicContact CB-CB 4.43Å; F110-E178 HydrophobicContact CD1-CB 3.76Å; F110-E178 HydrophobicContact CD1-CG 3.51Å; F110-E178 HydrophobicContact CE1-CB 4.31Å; F110-E178 HydrophobicContact CE1-CG 3.6Å; F110-E178 HydrophobicContact CG-CB 4.22Å; F110-E178 HydrophobicContact CG-CG 4.39Å; S112-E178 VanDerWaalsContact CB-O 3.29Å; S112-E178 WeakPolarHBondContact CB-O 2.81Å; S112-E178 PolarHBondContact OG-O 3.29Å
179K61Low57.1Low173 Ų17387.4 Ų87.475%0.75242%0.422SS*.THydrogen-bonded Turntrans-103.9-7.3179.2-52.9-178.4177.3-178.40113.6N177 K181N177-K179 PolarHBondContact O-N 2.74Å; N177-K179 WeakPolarHBondContact OD1-CA 3.12Å; N177-K179 VanDerWaalsContact OD1-CB 3.23Å; N177-K179 WeakPolarHBondContact OD1-CB 3.41Å; N177-K179 PolarHBondContact OD1-N 3.38Å; K179-K181 PolarHBondContact O-N 3.19Å; K179-K181 VanDerWaalsContact O-N 3.11Å
180D61.9Low55.5Low18 Ų1889.6 Ų89.610%0.09643%0.431CS..  trans-69.2109.9-177.7-66.6-30.2000109.4S114 Q174 L176 N177S114-D180 PolarHBondContact OG-O 2.79Å; Q174-D180 PolarHBondContact NE2-OD1 3.14Å; L176-D180 VanDerWaalsContact CA-OD2 3.23Å; L176-D180 WeakPolarHBondContact CA-OD2 3.29Å; N177-D180 PolarHBondContact N-OD2 3.3Å; N177-D180 PolarHBondContact ND2-OD1 2.79Å; N177-D180 PolarHBondContact ND2-OD2 3.12Å; N177-D180 WeakPolarHBondContact O-CB 3.32Å; N177-D180 PolarHBondContact O-N 3.14Å
181K59.7Low54.5Low138 Ų13890.3 Ų90.360%0.644%0.438SS*.  trans-91.8-25.7-176.6-67.7-172.8177-168.80113.9P134 K179P134-K181 VanDerWaalsContact CD-O 3.3Å; P134-K181 WeakPolarHBondContact CD-O 3.4Å; K179-K181 PolarHBondContact O-N 3.19Å; K179-K181 VanDerWaalsContact O-N 3.11Å
182N62.5Low54.3Low104 Ų10488.8 Ų88.856%0.55642%0.424SS*.SBendtrans-136.8138.9-173.6-63.9-32.8000109.4W133W133-N182 VanDerWaalsContact CD1-C 3.47Å
183F63.9Low54.4Low20 Ų2086.8 Ų86.89%0.08842%0.419CS..  trans-65.2134158.4-176.9-104.1000109.1W133 N135 Y137 I156 E185 M188W133-F183 HydrophobicContact CD2-CB 3.76Å; W133-F183 HydrophobicContact CD2-CD2 4.3Å; W133-F183 HydrophobicContact CD2-CG 4.5Å; W133-F183 HydrophobicContact CE3-CB 3.96Å; W133-F183 HydrophobicContact CE3-CD2 4.12Å; W133-F183 HydrophobicContact CE3-CG 4.38Å; W133-F183 HydrophobicContact CG-CB 4.01Å; W133-F183 AromaticContact CH2-CD2 3.55Å; W133-F183 HydrophobicContact CH2-CD2 3.55Å; W133-F183 HydrophobicContact CH2-CE2 4.12Å; W133-F183 AromaticContact CZ2-CD2 3.75Å; W133-F183 HydrophobicContact CZ2-CD2 3.75Å; W133-F183 HydrophobicContact CZ3-CB 4.44Å; W133-F183 AromaticContact CZ3-CD2 3.74Å; W133-F183 HydrophobicContact CZ3-CD2 3.74Å; W133-F183 HydrophobicContact CZ3-CE2 4.46Å; W133-F183 HydrophobicContact CZ3-CG 4.39Å; N135-F183 PolarHBondContact ND2-N 3.2Å; N135-F183 PolarHBondContact ND2-O 2.69Å; Y137-F183 HydrophobicContact CD1-CB 4.08Å; Y137-F183 AromaticContact CD1-CD1 3.19Å; Y137-F183 HydrophobicContact CD1-CD1 3.19Å; Y137-F183 AromaticContact CD1-CE1 3.75Å; Y137-F183 HydrophobicContact CD1-CE1 3.75Å; Y137-F183 AromaticContact CD1-CG 3.76Å; Y137-F183 HydrophobicContact CD1-CG 3.76Å; Y137-F183 HydrophobicContact CD2-CB 4.05Å; Y137-F183 HydrophobicContact CD2-CD1 4.33Å; Y137-F183 AromaticContact CE1-CD1 3.43Å; Y137-F183 HydrophobicContact CE1-CD1 3.43Å; Y137-F183 VanDerWaalsContact CE1-CD1 3.43Å; Y137-F183 AromaticContact CE1-CE1 3.82Å; Y137-F183 HydrophobicContact CE1-CE1 3.82Å; Y137-F183 HydrophobicContact CE1-CG 4.39Å; Y137-F183 HydrophobicContact CG-CB 3.63Å; Y137-F183 AromaticContact CG-CD1 3.68Å; Y137-F183 HydrophobicContact CG-CD1 3.68Å; Y137-F183 AromaticContact CG-CG 3.84Å; Y137-F183 HydrophobicContact CG-CG 3.84Å; I156-F183 HydrophobicContact CD1-CE2 4.19Å; I156-F183 HydrophobicContact CD1-CZ 3.75Å; I156-F183 HydrophobicContact CG2-CE1 4.32Å; I156-F183 HydrophobicContact CG2-CZ 4.16Å; F183-E185 HydrophobicContact CD1-CG 4.19Å; F183-E185 HydrophobicContact CE1-CB 4.36Å; F183-E185 HydrophobicContact CE1-CG 3.82Å; F183-M188 HydrophobicContact CE2-CE 4.09Å; F183-M188 HydrophobicContact CE2-CG 4.26Å; F183-M188 HydrophobicContact CE2-SD 3.71Å; F183-M188 HydrophobicContact CZ-CB 4.33Å; F183-M188 HydrophobicContact CZ-CG 4.38Å; F183-M188 HydrophobicContact CZ-SD 4.15Å
184N58.5Low54.5Low68 Ų6886.3 Ų86.336%0.36442%0.417SS..  trans-117.3103.6173.9-175.2-11.8000109.3T186 Q187N184-T186 PolarHBondContact O-N 3.43Å; N184-T186 VanDerWaalsContact OD1-CB 3.32Å; N184-T186 WeakPolarHBondContact OD1-CB 3.26Å; N184-T186 PolarHBondContact OD1-N 2.91Å; N184-T186 VanDerWaalsContact OD1-N 3.14Å; N184-T186 PolarHBondContact OD1-OG1 2.78Å; N184-Q187 HydrophobicContact CB-CG 4.39Å; N184-Q187 PolarHBondContact O-N 2.75Å; N184-Q187 VanDerWaalsContact O-N 3.14Å
185E51Low54.5Low88 Ų8894.5 Ų94.541%0.41145%0.446SS..G310 helixtrans-46.3-46.8178-74.9-173.8163.700112.3Y137 F183 Q187 M188 F189Y137-E185 HydrophobicContact CE1-CG 4.42Å; Y137-E185 PolarHBondContact OH-OE1 2.91Å; Y137-E185 VanDerWaalsContact OH-OE1 3.06Å; F183-E185 HydrophobicContact CD1-CG 4.19Å; F183-E185 HydrophobicContact CE1-CB 4.36Å; F183-E185 HydrophobicContact CE1-CG 3.82Å; E185-Q187 PolarHBondContact O-N 2.85Å; E185-M188 PolarHBondContact O-N 3.27Å; E185-F189 HydrophobicContact CB-CE2 3.97Å; E185-F189 HydrophobicContact CB-CZ 3.81Å; E185-F189 WeakPolarHBondContact O-CD2 3.43Å; E185-F189 WeakPolarHBondContact O-CE2 3.09Å; E185-F189 WeakPolarHBondContact O-CZ 3.33Å
186T46.5Very low54.4Low114 Ų11493.3 Ų93.370%0.69944%0.443SS*.G310 helixtrans-53.1-16.2-175.6-28.20000114.2N184N184-T186 PolarHBondContact O-N 3.43Å; N184-T186 VanDerWaalsContact OD1-CB 3.32Å; N184-T186 WeakPolarHBondContact OD1-CB 3.26Å; N184-T186 PolarHBondContact OD1-N 2.91Å; N184-T186 VanDerWaalsContact OD1-N 3.14Å; N184-T186 PolarHBondContact OD1-OG1 2.78Å
187Q48.3Very low54Low102 Ų10298.1 Ų98.148%0.47747%0.466SS..G310 helixtrans-103.2-8-174.9-58.8-170.8-8.200114.3N184 E185N184-Q187 HydrophobicContact CB-CG 4.39Å; N184-Q187 PolarHBondContact O-N 2.75Å; N184-Q187 VanDerWaalsContact O-N 3.14Å; E185-Q187 PolarHBondContact O-N 2.85Å
188M50.5Low53.5Low22 Ų22100.7 Ų100.711%0.10848%0.477CS..SBendtrans-122.256.3178.7-68.5-159.1-174.100112.8L139 I148 I154 I156 F183 E185L139-M188 HydrophobicContact CD2-CE 4.32Å; I148-M188 HydrophobicContact CD1-CE 3.51Å; I148-M188 HydrophobicContact CD1-SD 4.34Å; I154-M188 HydrophobicContact CD1-SD 4.35Å; I156-M188 HydrophobicContact CD1-CB 4.49Å; I156-M188 HydrophobicContact CD1-SD 3.92Å; F183-M188 HydrophobicContact CE2-CE 4.09Å; F183-M188 HydrophobicContact CE2-CG 4.26Å; F183-M188 HydrophobicContact CE2-SD 3.71Å; F183-M188 HydrophobicContact CZ-CB 4.33Å; F183-M188 HydrophobicContact CZ-CG 4.38Å; F183-M188 HydrophobicContact CZ-SD 4.15Å; E185-M188 PolarHBondContact O-N 3.27Å
189F39.7Very low53.3Low107 Ų107103.1 Ų103.147%0.46949%0.488SS..  trans-118.8133.9172-62.1-63.4000109.3E185E185-F189 HydrophobicContact CB-CE2 3.97Å; E185-F189 HydrophobicContact CB-CZ 3.81Å; E185-F189 WeakPolarHBondContact O-CD2 3.43Å; E185-F189 WeakPolarHBondContact O-CE2 3.09Å; E185-F189 WeakPolarHBondContact O-CZ 3.33Å
190F42.9Very low52.8Low178 Ų17898.7 Ų98.778%0.78147%0.471SS*.SBend-154.26.886.9-78.9-71.5000116.3
191N44.4Very low52.2Low99 Ų99104.1 Ų104.153%0.52950%0.496SS..  trans-150.753.5-176.2-65.2-73.9000113.3
192L51.4Low51.6Low41 Ų41101.6 Ų101.622%0.21549%0.489CS..EExtended strand (participates in β ladder)trans-99.8130.3167.9-56.6-179.2000108.6I154 I156 W164 T165 G166I154-L192 HydrophobicContact CD1-CD2 4.15Å; I154-L192 HydrophobicContact CG1-CD2 3.99Å; I156-L192 HydrophobicContact CD1-CD1 3.7Å; I156-L192 HydrophobicContact CG1-CD1 4.4Å; W164-L192 HydrophobicContact CB-CB 4.01Å; W164-L192 HydrophobicContact CB-CD1 4.14Å; T165-L192 CarbonylContact O-C 3.58Å; T165-L192 WeakPolarHBondContact O-CA 3.33Å; G166-L192 VanDerWaalsContact CA-CD2 3.49Å
193N54.6Low50.8Low125 Ų125101.5 Ų101.567%0.66848%0.484SS*.EExtended strand (participates in β ladder)trans-90.5132.8169.6-65.4-36.4000107.6T165T165-N193 PolarHBondContact N-O 3.06Å; T165-N193 VanDerWaalsContact N-O 3.12Å; T165-N193 PolarHBondContact O-N 2.79Å
194E55.2Low49.7Very low117 Ų117108.3 Ų108.355%0.54752%0.517SS..EExtended strand (participates in β ladder)trans-64141.2164.8-177.3171.5171.800109K162K162-E194 WeakPolarHBondContact CE-OE1 3.44Å; K162-E194 VanDerWaalsContact CE-OE2 3.29Å; K162-E194 WeakPolarHBondContact CE-OE2 3.43Å; K162-E194 IonicContact NZ-OE1 2.74Å; K162-E194 PolarHBondContact NZ-OE1 3.01Å; K162-E194 IonicContact NZ-OE2 2.79Å; K162-E194 PolarHBondContact NZ-OE2 3.11Å
195Y53.5Low48.9Very low238 Ų238111.9 Ų111.993%0.93353%0.531SS*.  trans-83.90174.5-148.5-84.6000111.5Q163Q163-Y195 PolarHBondContact O-N 3.1Å

Retrieved 195 of 195 residues in 98.8 ms (Link to these results)

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