A0A087XPT6_POEFO Loading...

Macrophage-capping protein

AlphaFold DB , UniProt , Accession A0A087XPT6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 346 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
1M35.9Very low50.5Low238 Ų238104.8 Ų104.8100%1.17259%0.589SS**  0109.90-170-177.6-67.200106.8
2F29.2Very low53.4Low190 Ų19097.8 Ų97.883%0.83356%0.557SS**  trans-76136.7178.2-80.3-83.4000109.5L4F2-L4 PolarHBondContact O-N 2.87Å; F2-L4 VanDerWaalsContact O-N 3.16Å
3P35.1Very low55.8Low101 Ų10198 Ų9866%0.65657%0.565SS**  trans-70.7110.6172.329.1-32.3000108.8K5P3-K5 PolarHBondContact O-N 3.37Å
4L41.8Very low58.1Low92 Ų9297.6 Ų97.648%0.48256%0.555SS.*  trans-7075.8175.8-66.6174.1000110F2 M28 V74F2-L4 PolarHBondContact O-N 2.87Å; F2-L4 VanDerWaalsContact O-N 3.16Å; L4-M28 HydrophobicContact CB-CE 4.15Å; L4-M28 HydrophobicContact CD1-CE 3.9Å; L4-M28 HydrophobicContact CD1-SD 4.38Å; L4-M28 HydrophobicContact CD2-CE 4.05Å; L4-M28 HydrophobicContact CD2-CG 4.18Å; L4-M28 HydrophobicContact CD2-SD 3.95Å; L4-M28 HydrophobicContact CG-CE 4.25Å; L4-V74 HydrophobicContact CD1-CG1 4.47Å
5K39.7Very low60.3Low180 Ų18091.1 Ų91.178%0.78352%0.518SS*.PPolyproline II helixtrans-81123.8173.8-71.1-168.2173.1-1720109.5P3P3-K5 PolarHBondContact O-N 3.37Å
6P47Very low62.2Low48 Ų4894.9 Ų94.931%0.31252%0.521SS..PPolyproline II helixtrans-69.3156.1178.529.5-35.5000111.4P8 M78P6-P8 WeakPolarHBondContact O-CD 3.14Å; P6-M78 HydrophobicContact CB-CE 4.14Å
7A50.3Low64Low44 Ų4493.1 Ų93.136%0.36452%0.518SS..PPolyproline II helixtrans-69.3126.616500000109.2Q10A7-Q10 HydrophobicContact CB-CG 4.48Å; A7-Q10 PolarHBondContact O-NE2 3.36Å; A7-Q10 VanDerWaalsContact O-NE2 3.16Å
8P53Low65.7Low130 Ų13092.9 Ų92.984%0.84452%0.521SS*.THydrogen-bonded Turntrans-61.6144.9176.7-23.334.2000112.4P6P6-P8 WeakPolarHBondContact O-CD 3.14Å
9G62.6Low67.2Low76 Ų7689.6 Ų89.678%0.78451%0.51SS*.THydrogen-bonded Turntrans77.630.8169.400000116.4F11G9-F11 VanDerWaalsContact C-N 3.31Å; G9-F11 PolarHBondContact O-N 3.21Å
10Q73.8Confident68.6Low40 Ų4087.8 Ų87.819%0.18750%0.498CS..  trans-71.8-20.3177.1-72.4-179.751.700114.9A7A7-Q10 HydrophobicContact CB-CG 4.48Å; A7-Q10 PolarHBondContact O-NE2 3.36Å; A7-Q10 VanDerWaalsContact O-NE2 3.16Å
11F86.8Confident69.9Low14 Ų1485.9 Ų85.96%0.06148%0.483CS..SBendtrans-117.2127.5176.1-52.9-67.2000108.7G9 V15 W23 A30 L48 L79 Q82 L83G9-F11 VanDerWaalsContact C-N 3.31Å; G9-F11 PolarHBondContact O-N 3.21Å; F11-V15 HydrophobicContact CB-CG1 4.29Å; F11-W23 HydrophobicContact CD1-CH2 4.48Å; F11-W23 AromaticContact CD1-CZ2 3.93Å; F11-W23 HydrophobicContact CD1-CZ2 3.93Å; F11-W23 HydrophobicContact CE1-CD2 4.17Å; F11-W23 AromaticContact CE1-CE2 3.95Å; F11-W23 HydrophobicContact CE1-CZ2 4.2Å; F11-A30 HydrophobicContact CE1-CB 3.73Å; F11-A30 HydrophobicContact CZ-CB 3.79Å; F11-L48 HydrophobicContact CE1-CD1 4.36Å; F11-L48 HydrophobicContact CZ-CD1 3.83Å; F11-L79 HydrophobicContact CZ-CB 4.5Å; F11-Q82 HydrophobicContact CE2-CB 4.21Å; F11-L83 HydrophobicContact CB-CD1 4.22Å; F11-L83 HydrophobicContact CD1-CD1 4.08Å; F11-L83 HydrophobicContact CD1-CD2 4.37Å; F11-L83 HydrophobicContact CD2-CB 4.02Å; F11-L83 HydrophobicContact CD2-CD1 4.19Å; F11-L83 HydrophobicContact CE1-CB 4.49Å; F11-L83 HydrophobicContact CE1-CD2 4.09Å; F11-L83 HydrophobicContact CE2-CB 3.75Å; F11-L83 HydrophobicContact CG-CD1 3.9Å; F11-L83 HydrophobicContact CZ-CB 4.01Å; F11-L83 HydrophobicContact CZ-CD2 4.3Å
12G85.2Confident72.7Confident20 Ų2074.9 Ų74.921%0.20643%0.429CS..  trans-97.8-176.9177.400000112.4E14 V15 F86G12-E14 VanDerWaalsContact C-CD 3.46Å; G12-E14 VanDerWaalsContact CA-OE1 3.22Å; G12-E14 WeakPolarHBondContact CA-OE1 3.49Å; G12-E14 WeakPolarHBondContact CA-OE2 3.25Å; G12-E14 PolarHBondContact N-OE1 2.76Å; G12-E14 PolarHBondContact O-N 2.98Å; G12-V15 WeakPolarHBondContact O-CG2 3.13Å; G12-V15 PolarHBondContact O-N 3.38Å; G12-F86 VanDerWaalsContact O-CE1 3.25Å; G12-F86 WeakPolarHBondContact O-CE1 3.43Å; G12-F86 WeakPolarHBondContact O-CZ 3.42Å
13P85.6Confident75.9Confident101 Ų10166.4 Ų66.466%0.65639%0.392SS*.G310 helixtrans-63.3-20.9-178.428.4-35.6000113.3V15 R16P13-V15 PolarHBondContact O-N 2.89Å; P13-R16 WeakPolarHBondContact O-CB 3.31Å; P13-R16 PolarHBondContact O-N 3.03Å
14E87.6Confident78.6Confident93 Ų9363 Ų6344%0.43537%0.366SS..G310 helixtrans-58.3-27.8-179.869.2-65.6149.600113.6G12 R16 S17 R21G12-E14 VanDerWaalsContact C-CD 3.46Å; G12-E14 VanDerWaalsContact CA-OE1 3.22Å; G12-E14 WeakPolarHBondContact CA-OE1 3.49Å; G12-E14 WeakPolarHBondContact CA-OE2 3.25Å; G12-E14 PolarHBondContact N-OE1 2.76Å; G12-E14 PolarHBondContact O-N 2.98Å; E14-R16 PolarHBondContact O-N 3.45Å; E14-S17 PolarHBondContact O-N 3.48Å; E14-S17 VanDerWaalsContact O-N 3.16Å; E14-R21 PolarHBondContact O-NE 2.81Å; E14-R21 PolarHBondContact O-NH2 3Å
15V91.7Very high81Confident0 Ų058.7 Ų58.70%034%0.344CS..G310 helixtrans-66.3-15177.5-50.90000113.3F11 G12 P13 W23 L50 N52 L83 F86 L87F11-V15 HydrophobicContact CB-CG1 4.29Å; G12-V15 WeakPolarHBondContact O-CG2 3.13Å; G12-V15 PolarHBondContact O-N 3.38Å; P13-V15 PolarHBondContact O-N 2.89Å; V15-W23 HydrophobicContact CG1-CH2 3.77Å; V15-W23 HydrophobicContact CG1-CZ2 3.66Å; V15-L50 HydrophobicContact CB-CD2 3.86Å; V15-N52 PolarHBondContact O-ND2 2.87Å; V15-L83 HydrophobicContact CB-CD1 4.16Å; V15-L83 HydrophobicContact CG1-CD1 4.3Å; V15-L83 HydrophobicContact CG2-CD1 3.81Å; V15-F86 HydrophobicContact CG2-CD1 3.59Å; V15-F86 HydrophobicContact CG2-CE1 3.6Å; V15-L87 HydrophobicContact CG2-CD2 4.05Å; V15-L87 HydrophobicContact CG2-CG 4.46Å
16R90.4Very high83.2Confident151 Ų15153 Ų5357%0.5732%0.319SS*.G310 helixtrans-83.3-17.4176.3-63.6179.7173.3-159.4-5.4113.4P13 E14 N52 F86 L87P13-R16 WeakPolarHBondContact O-CB 3.31Å; P13-R16 PolarHBondContact O-N 3.03Å; E14-R16 PolarHBondContact O-N 3.45Å; R16-N52 WeakPolarHBondContact CA-ND2 3.37Å; R16-N52 PolarHBondContact O-ND2 3.09Å; R16-F86 HydrophobicContact CG-CE1 4.36Å; R16-F86 PolarHBondContact NH2-O 3.05Å; R16-L87 HydrophobicContact CG-CD2 3.88Å
17S92.2Very high84.9Confident65 Ų6559 Ų5946%0.45534%0.341SS..SBendtrans-78.1148.6174.5-53.10000110.9E14 R21 N52E14-S17 PolarHBondContact O-N 3.48Å; E14-S17 VanDerWaalsContact O-N 3.16Å; S17-R21 VanDerWaalsContact O-CZ 3.28Å; S17-R21 PolarHBondContact O-NH1 2.96Å; S17-R21 PolarHBondContact O-NH2 2.61Å; S17-N52 PolarHBondContact O-ND2 3.45Å
18P95.3Very high86.3Confident90 Ų9059 Ų5958%0.58433%0.334SS*.SBendtrans-54.2152.2174.2-26.435.1000113.2R21 N52P18-R21 PolarHBondContact O-NH2 2.82Å; P18-N52 CarbonylContact C-O 3.56Å; P18-N52 VanDerWaalsContact CA-O 3.26Å; P18-N52 WeakPolarHBondContact CA-O 3.48Å
19G93.9Very high87.8Confident30 Ų3058.3 Ų58.331%0.30932%0.318SS..EExtended strand (participates in β ladder)trans126.5163.1177.200000114.5R21 N52G19-R21 PolarHBondContact O-NH1 2.98Å; G19-N52 PolarHBondContact N-O 3.22Å; G19-N52 PolarHBondContact O-N 3.2Å; G19-N52 VanDerWaalsContact O-N 3.16Å
20L94.9Very high89.2Confident53 Ų5355.2 Ų55.228%0.27729%0.285SS..EExtended strand (participates in β ladder)trans-78.3134.5172.8-17763.2000110.7V22 V38 V49 L50 M51 L108 F109L20-V22 HydrophobicContact CG-CG2 4.38Å; L20-V38 HydrophobicContact CD2-CG1 3.87Å; L20-V49 HydrophobicContact CD1-CG1 3.6Å; L20-L50 CarbonylContact C-O 2.97Å; L20-L50 WeakPolarHBondContact CA-O 3.15Å; L20-M51 HydrophobicContact CB-CE 3.85Å; L20-M51 HydrophobicContact CD1-CB 4.45Å; L20-M51 HydrophobicContact CD1-CE 4.29Å; L20-L108 HydrophobicContact CD1-CB 4.1Å; L20-L108 HydrophobicContact CD1-CD1 3.94Å; L20-L108 HydrophobicContact CD1-CG 4.49Å; L20-L108 HydrophobicContact CD2-CB 4.3Å; L20-L108 WeakPolarHBondContact CD2-O 3.36Å; L20-F109 HydrophobicContact CD2-CD1 4.45Å; L20-F109 HydrophobicContact CD2-CE1 4.03Å
21R95.4Very high90Very high47 Ų4755.8 Ų55.818%0.17729%0.291CS..EExtended strand (participates in β ladder)trans-134.5138.6170-66.7169.6-166.3714.3109.5E14 S17 P18 G19 W23 V49 L50E14-R21 PolarHBondContact O-NE 2.81Å; E14-R21 PolarHBondContact O-NH2 3Å; S17-R21 VanDerWaalsContact O-CZ 3.28Å; S17-R21 PolarHBondContact O-NH1 2.96Å; S17-R21 PolarHBondContact O-NH2 2.61Å; P18-R21 PolarHBondContact O-NH2 2.82Å; G19-R21 PolarHBondContact O-NH1 2.98Å; R21-W23 HydrophobicContact CB-CE3 4.33Å; R21-W23 HydrophobicContact CB-CH2 3.37Å; R21-W23 HydrophobicContact CB-CZ2 3.98Å; R21-W23 HydrophobicContact CB-CZ3 3.57Å; R21-W23 HydrophobicContact CG-CH2 4.23Å; R21-V49 WeakPolarHBondContact O-CA 3.31Å; R21-L50 PolarHBondContact N-O 2.88Å; R21-L50 PolarHBondContact O-N 2.78Å
22V95.4Very high90.1Very high7 Ų759.4 Ų59.44%0.04232%0.316CS..EExtended strand (participates in β ladder)trans-128.2132.6-180-176.20000109.5L20 L33 V38 F41 Y47 L48 V49 F109L20-V22 HydrophobicContact CG-CG2 4.38Å; V22-L33 HydrophobicContact CB-CD1 4.24Å; V22-L33 HydrophobicContact CG1-CD1 3.55Å; V22-L33 HydrophobicContact CG1-CG 4.07Å; V22-L33 PolarHBondContact O-N 2.91Å; V22-V38 HydrophobicContact CB-CG2 4.43Å; V22-V38 HydrophobicContact CG2-CG1 4Å; V22-V38 HydrophobicContact CG2-CG2 4.33Å; V22-F41 HydrophobicContact CG1-CE1 4.04Å; V22-Y47 HydrophobicContact CG1-CD1 4.37Å; V22-L48 CarbonylContact C-O 3.58Å; V22-L48 WeakPolarHBondContact CA-O 3.06Å; V22-V49 HydrophobicContact CG1-CG2 4Å; V22-V49 HydrophobicContact CG2-CG1 4.24Å; V22-V49 HydrophobicContact CG2-CG2 4.03Å; V22-F109 HydrophobicContact CG2-CE1 4.21Å; V22-F109 HydrophobicContact CG2-CZ 4.34Å
23W95.8Very high90.1Very high13 Ų1359.9 Ų59.95%0.04931%0.313CS..EExtended strand (participates in β ladder)trans-123.9138.3171.1-57.1-105000110.1F11 V15 R21 A30 V31 Y47 L48 L50 L83F11-W23 HydrophobicContact CD1-CH2 4.48Å; F11-W23 AromaticContact CD1-CZ2 3.93Å; F11-W23 HydrophobicContact CD1-CZ2 3.93Å; F11-W23 HydrophobicContact CE1-CD2 4.17Å; F11-W23 AromaticContact CE1-CE2 3.95Å; F11-W23 HydrophobicContact CE1-CZ2 4.2Å; V15-W23 HydrophobicContact CG1-CH2 3.77Å; V15-W23 HydrophobicContact CG1-CZ2 3.66Å; R21-W23 HydrophobicContact CB-CE3 4.33Å; R21-W23 HydrophobicContact CB-CH2 3.37Å; R21-W23 HydrophobicContact CB-CZ2 3.98Å; R21-W23 HydrophobicContact CB-CZ3 3.57Å; R21-W23 HydrophobicContact CG-CH2 4.23Å; W23-A30 HydrophobicContact CB-CB 3.83Å; W23-A30 HydrophobicContact CG-CB 3.92Å; W23-V31 CarbonylContact C-O 3.56Å; W23-V31 WeakPolarHBondContact CA-O 3.23Å; W23-Y47 CarbonylContact O-C 3.19Å; W23-Y47 VanDerWaalsContact O-CA 3.25Å; W23-Y47 WeakPolarHBondContact O-CA 3.25Å; W23-Y47 WeakPolarHBondContact O-CB 3.37Å; W23-L48 HydrophobicContact CB-CB 4.49Å; W23-L48 HydrophobicContact CE3-CB 4.11Å; W23-L48 PolarHBondContact N-O 2.97Å; W23-L48 PolarHBondContact O-N 2.62Å; W23-L50 HydrophobicContact CH2-CB 4.19Å; W23-L50 HydrophobicContact CH2-CD2 4.26Å; W23-L50 HydrophobicContact CZ3-CB 3.73Å; W23-L83 HydrophobicContact CH2-CD2 4.17Å; W23-L83 HydrophobicContact CZ3-CD2 3.99Å
24R92.8Very high89.7Confident30 Ų3060.6 Ų60.611%0.11331%0.312CS..EExtended strand (participates in β ladder)trans-86.1139.7167-173.5170.8-178.2-128.7-5.5109.3E26 V31 L33 D45 Y47 G120 V121R24-E26 HydrophobicContact CG-CG 4.04Å; R24-E26 IonicContact CZ-OE1 3.27Å; R24-E26 IonicContact NE-OE1 3.55Å; R24-E26 IonicContact NH1-OE1 3.42Å; R24-E26 PolarHBondContact NH1-OE1 2.86Å; R24-E26 PolarHBondContact O-N 3.42Å; R24-V31 PolarHBondContact N-O 2.58Å; R24-V31 PolarHBondContact O-N 2.82Å; R24-L33 HydrophobicContact CB-CD2 3.9Å; R24-D45 IonicContact CZ-OD1 2.73Å; R24-D45 IonicContact CZ-OD2 3.73Å; R24-D45 VanDerWaalsContact CZ-OD2 3.26Å; R24-D45 IonicContact NE-OD1 3.37Å; R24-D45 IonicContact NE-OD2 3.56Å; R24-D45 PolarHBondContact NE-OD2 3.05Å; R24-D45 VanDerWaalsContact NH2-CG 3.29Å; R24-D45 IonicContact NH2-OD1 2.76Å; R24-D45 PolarHBondContact NH2-OD1 3.25Å; R24-D45 IonicContact NH2-OD2 3.59Å; R24-D45 PolarHBondContact NH2-OD2 3.04Å; R24-Y47 HydrophobicContact CB-CD1 3.84Å; R24-Y47 HydrophobicContact CB-CE1 3.62Å; R24-Y47 HydrophobicContact CG-CD1 4.12Å; R24-Y47 HydrophobicContact CG-CE1 3.54Å; R24-Y47 PolarHBondContact NE-OH 2.95Å; R24-G120 PolarHBondContact NH2-O 2.75Å; R24-V121 VanDerWaalsContact NH2-N 3.17Å
25V91.8Very high89Confident1 Ų160 Ų601%0.00632%0.323CS..EExtended strand (participates in β ladder)trans-85.8108.6175.8179.20000108.7K29 S46 A75 C76 L79V25-K29 CarbonylContact C-O 3.59Å; V25-K29 WeakPolarHBondContact CA-O 3.3Å; V25-S46 VanDerWaalsContact CB-O 3.24Å; V25-S46 WeakPolarHBondContact CB-O 3.5Å; V25-S46 WeakPolarHBondContact CG2-O 3.35Å; V25-S46 PolarHBondContact N-O 2.93Å; V25-A75 HydrophobicContact CG1-CB 3.6Å; V25-C76 HydrophobicContact CG2-CB 3.95Å; V25-L79 HydrophobicContact CG1-CD1 4.12Å; V25-L79 HydrophobicContact CG2-CD1 4.18Å
26E85.9Confident88Confident59 Ų5965 Ų6528%0.27636%0.358SS..EExtended strand (participates in β ladder)trans-122.2118.4177-59.8-168.3-178.500110.4R24 M28 K29 V31R24-E26 HydrophobicContact CG-CG 4.04Å; R24-E26 IonicContact CZ-OE1 3.27Å; R24-E26 IonicContact NE-OE1 3.55Å; R24-E26 IonicContact NH1-OE1 3.42Å; R24-E26 PolarHBondContact NH1-OE1 2.86Å; R24-E26 PolarHBondContact O-N 3.42Å; E26-M28 VanDerWaalsContact C-N 3.34Å; E26-M28 PolarHBondContact O-N 2.81Å; E26-K29 PolarHBondContact N-O 3.35Å; E26-K29 WeakPolarHBondContact O-CB 3.47Å; E26-K29 PolarHBondContact O-N 2.88Å; E26-V31 HydrophobicContact CB-CG2 3.85Å; E26-V31 HydrophobicContact CG-CB 4.39Å; E26-V31 HydrophobicContact CG-CG2 4.03Å
27K81.9Confident87.2Confident176 Ų17661 Ų6177%0.76535%0.345SS*.THydrogen-bonded Turntrans49.252.1171.4-59.1173-176169.10112.7K29K27-K29 VanDerWaalsContact C-N 3.34Å; K27-K29 PolarHBondContact O-N 2.87Å
28M80.6Confident86.6Confident44 Ų4459.7 Ų59.722%0.21734%0.335CS..THydrogen-bonded Turntrans67.119.9-176.3-48.8-58.2-52.100116.1L4 E26 A75 M78L4-M28 HydrophobicContact CB-CE 4.15Å; L4-M28 HydrophobicContact CD1-CE 3.9Å; L4-M28 HydrophobicContact CD1-SD 4.38Å; L4-M28 HydrophobicContact CD2-CE 4.05Å; L4-M28 HydrophobicContact CD2-CG 4.18Å; L4-M28 HydrophobicContact CD2-SD 3.95Å; L4-M28 HydrophobicContact CG-CE 4.25Å; E26-M28 VanDerWaalsContact C-N 3.34Å; E26-M28 PolarHBondContact O-N 2.81Å; M28-A75 HydrophobicContact CE-CB 3.43Å; M28-A75 VanDerWaalsContact CE-CB 3.43Å; M28-A75 HydrophobicContact SD-CB 3.66Å; M28-M78 HydrophobicContact CE-CE 3.59Å; M28-M78 HydrophobicContact CE-SD 4.03Å
29K84.6Confident85.3Confident115 Ų11555.7 Ų55.750%0.531%0.31SS..EExtended strand (participates in β ladder)trans-127147.3178.1-57.6-178.5-177.5-179.20113V25 E26 K27 V31V25-K29 CarbonylContact C-O 3.59Å; V25-K29 WeakPolarHBondContact CA-O 3.3Å; E26-K29 PolarHBondContact N-O 3.35Å; E26-K29 WeakPolarHBondContact O-CB 3.47Å; E26-K29 PolarHBondContact O-N 2.88Å; K27-K29 VanDerWaalsContact C-N 3.34Å; K27-K29 PolarHBondContact O-N 2.87Å; K29-V31 PolarHBondContact O-N 2.84Å
30A91.3Very high84.4Confident11 Ų1155 Ų559%0.09130%0.301CS..EExtended strand (participates in β ladder)trans-82.4105.5165.800000109.4F11 W23 L79F11-A30 HydrophobicContact CE1-CB 3.73Å; F11-A30 HydrophobicContact CZ-CB 3.79Å; W23-A30 HydrophobicContact CB-CB 3.83Å; W23-A30 HydrophobicContact CG-CB 3.92Å; A30-L79 HydrophobicContact CB-CD1 4.3Å; A30-L79 HydrophobicContact CB-CD2 4.48Å
31V90.3Very high83.7Confident52 Ų5252.4 Ų52.432%0.31529%0.287SS..EExtended strand (participates in β ladder)trans-96.8118.2175.3179.50000108.3W23 R24 E26 K29W23-V31 CarbonylContact C-O 3.56Å; W23-V31 WeakPolarHBondContact CA-O 3.23Å; R24-V31 PolarHBondContact N-O 2.58Å; R24-V31 PolarHBondContact O-N 2.82Å; E26-V31 HydrophobicContact CB-CG2 3.85Å; E26-V31 HydrophobicContact CG-CB 4.39Å; E26-V31 HydrophobicContact CG-CG2 4.03Å; K29-V31 PolarHBondContact O-N 2.84Å
32P90.5Very high83Confident90 Ų9052.4 Ų52.458%0.58429%0.288SS*.EExtended strand (participates in β ladder)trans-65.3139.4-179.227.8-34.1000110.6
33L84.2Confident82.1Confident29 Ų2952.4 Ų52.415%0.15229%0.287CS..PPolyproline II helixtrans-80.5145.9173.3-69-172.4000111.5V22 R24 E37 V38 Y47V22-L33 HydrophobicContact CB-CD1 4.24Å; V22-L33 HydrophobicContact CG1-CD1 3.55Å; V22-L33 HydrophobicContact CG1-CG 4.07Å; V22-L33 PolarHBondContact O-N 2.91Å; R24-L33 HydrophobicContact CB-CD2 3.9Å; L33-E37 HydrophobicContact CB-CB 4.37Å; L33-E37 HydrophobicContact CD1-CB 4.36Å; L33-V38 HydrophobicContact CB-CG2 4.42Å; L33-Y47 HydrophobicContact CD1-CD1 4.29Å; L33-Y47 HydrophobicContact CD1-CE1 4.15Å
34D76.4Confident81.4Confident117 Ų11752.4 Ų52.463%0.62629%0.291SS*.PPolyproline II helixtrans-64.3149165.6-85.4-37.9000111S36 E37 V38D34-S36 PolarHBondContact O-N 2.63Å; D34-E37 PolarHBondContact O-N 3.22Å; D34-V38 PolarHBondContact O-N 2.82Å
35A74.7Confident81.2Confident81 Ų8151 Ų5167%0.66929%0.286SS*.THydrogen-bonded Turntrans-62.8-14.7-176.500000114.4
36S69.9Low81.3Confident105 Ų10550.9 Ų50.973%0.73429%0.285SS*.THydrogen-bonded Turntrans-78.9-21.5170.841.60000113.9D34D34-S36 PolarHBondContact O-N 2.63Å
37E72.5Confident81.8Confident65 Ų6548.1 Ų48.130%0.30427%0.272SS..THydrogen-bonded Turntrans-101.6-15.9-177.9-60-151.493.600113.9L33 D34 G39 A40 K116L33-E37 HydrophobicContact CB-CB 4.37Å; L33-E37 HydrophobicContact CD1-CB 4.36Å; D34-E37 PolarHBondContact O-N 3.22Å; E37-G39 PolarHBondContact O-N 2.86Å; E37-G39 VanDerWaalsContact O-N 3.13Å; E37-A40 WeakPolarHBondContact O-CB 3.33Å; E37-A40 PolarHBondContact O-N 3.09Å; E37-K116 IonicContact OE1-NZ 2.67Å; E37-K116 PolarHBondContact OE1-NZ 2.84Å
38V80.1Confident82.5Confident39 Ų3939.8 Ų39.824%0.23624%0.236CC..THydrogen-bonded Turntrans-54.3116.4174.8174.40000110.4L20 V22 L33 D34 F109L20-V38 HydrophobicContact CD2-CG1 3.87Å; V22-V38 HydrophobicContact CB-CG2 4.43Å; V22-V38 HydrophobicContact CG2-CG1 4Å; V22-V38 HydrophobicContact CG2-CG2 4.33Å; L33-V38 HydrophobicContact CB-CG2 4.42Å; D34-V38 PolarHBondContact O-N 2.82Å; V38-F109 HydrophobicContact CG1-CD1 4.13Å; V38-F109 HydrophobicContact CG1-CE1 3.79Å
39G68.4Low83.3Confident6 Ų637.7 Ų37.76%0.06223%0.226CC..THydrogen-bonded Turntrans98.57.4-173.300000114.8E37 F109 V113 S114E37-G39 PolarHBondContact O-N 2.86Å; E37-G39 VanDerWaalsContact O-N 3.13Å; G39-F109 VanDerWaalsContact CA-CD1 3.43Å; G39-V113 CarbonylContact O-C 3.5Å; G39-V113 WeakPolarHBondContact O-CA 3.15Å; G39-S114 PolarHBondContact O-N 2.83Å; G39-S114 PolarHBondContact O-OG 2.88Å
40A74.5Confident83.9Confident14 Ų1432.2 Ų32.212%0.11620%0.202CC..EExtended strand (participates in β ladder)trans-125.594.9176.100000111.9E37 S114 K116E37-A40 WeakPolarHBondContact O-CB 3.33Å; E37-A40 PolarHBondContact O-N 3.09Å; A40-S114 CarbonylContact C-O 3.52Å; A40-S114 WeakPolarHBondContact CA-O 3.4Å; A40-S114 WeakPolarHBondContact CA-OG 3.49Å; A40-S114 WeakPolarHBondContact CB-OG 3.33Å; A40-K116 HydrophobicContact CB-CD 4.27Å; A40-K116 HydrophobicContact CB-CG 4.4Å
41F81.4Confident84.1Confident0 Ų033.4 Ų33.40%021%0.206CC..EExtended strand (participates in β ladder)trans-96.6135.1-176.3-54.5-65.9000111.3V22 Y47 V49 W63 F105 F109 V113 S114 Y115 K116V22-F41 HydrophobicContact CG1-CE1 4.04Å; F41-Y47 HydrophobicContact CB-CD2 4.35Å; F41-Y47 HydrophobicContact CB-CE2 4.03Å; F41-Y47 AromaticContact CD1-CD1 3.55Å; F41-Y47 HydrophobicContact CD1-CD1 3.55Å; F41-Y47 AromaticContact CD1-CD2 3.74Å; F41-Y47 HydrophobicContact CD1-CD2 3.74Å; F41-Y47 AromaticContact CD1-CE1 3.8Å; F41-Y47 HydrophobicContact CD1-CE1 3.8Å; F41-Y47 HydrophobicContact CD1-CE2 4.04Å; F41-Y47 AromaticContact CD1-CG 3.53Å; F41-Y47 HydrophobicContact CD1-CG 3.53Å; F41-Y47 AromaticContact CE1-CD1 3.93Å; F41-Y47 HydrophobicContact CE1-CD1 3.93Å; F41-Y47 AromaticContact CE1-CG 3.95Å; F41-Y47 HydrophobicContact CE1-CG 3.95Å; F41-Y47 HydrophobicContact CG-CD2 4.42Å; F41-V49 HydrophobicContact CE1-CG2 4.21Å; F41-V49 HydrophobicContact CZ-CG2 4.07Å; F41-W63 HydrophobicContact CB-CD2 4.2Å; F41-W63 HydrophobicContact CB-CE3 4.01Å; F41-W63 HydrophobicContact CB-CH2 3.49Å; F41-W63 VanDerWaalsContact CB-CH2 3.49Å; F41-W63 HydrophobicContact CB-CZ2 3.74Å; F41-W63 HydrophobicContact CB-CZ3 3.65Å; F41-W63 HydrophobicContact CD2-CD2 4.2Å; F41-W63 AromaticContact CD2-CE2 3.93Å; F41-W63 HydrophobicContact CD2-CG 4.45Å; F41-W63 HydrophobicContact CD2-CZ2 4.25Å; F41-W63 HydrophobicContact CG-CD2 4.06Å; F41-W63 HydrophobicContact CG-CE3 4.22Å; F41-W63 HydrophobicContact CG-CH2 4.37Å; F41-W63 HydrophobicContact CG-CZ2 4.25Å; F41-W63 HydrophobicContact CG-CZ3 4.36Å; F41-F105 HydrophobicContact CD2-CZ 4.49Å; F41-F105 AromaticContact CE2-CE1 3.8Å; F41-F105 HydrophobicContact CE2-CE1 3.8Å; F41-F105 AromaticContact CE2-CZ 3.54Å; F41-F105 HydrophobicContact CE2-CZ 3.54Å; F41-F105 HydrophobicContact CZ-CE1 4.3Å; F41-F105 HydrophobicContact CZ-CE2 4.45Å; F41-F105 AromaticContact CZ-CZ 3.6Å; F41-F105 HydrophobicContact CZ-CZ 3.6Å; F41-F109 HydrophobicContact CE2-CE2 4.11Å; F41-F109 HydrophobicContact CE2-CZ 4.2Å; F41-F109 HydrophobicContact CZ-CE1 4.21Å; F41-F109 AromaticContact CZ-CE2 3.96Å; F41-F109 HydrophobicContact CZ-CE2 3.96Å; F41-F109 AromaticContact CZ-CZ 3.63Å; F41-F109 HydrophobicContact CZ-CZ 3.63Å; F41-V113 HydrophobicContact CD2-CG1 3.41Å; F41-V113 VanDerWaalsContact CD2-CG1 3.41Å; F41-V113 HydrophobicContact CE2-CG1 3.62Å; F41-V113 HydrophobicContact CE2-CG2 4.37Å; F41-S114 PolarHBondContact N-O 3.01Å; F41-Y115 CarbonylContact O-C 3.52Å; F41-Y115 WeakPolarHBondContact O-CA 3.49Å; F41-K116 PolarHBondContact O-N 3Å
42Y80.1Confident84.3Confident47 Ų4731.5 Ų31.518%0.18419%0.194CC..EExtended strand (participates in β ladder)trans-79.2132.1167.8-60-83.6000110.1G44 D45 Y47 W63 K116 E118 G119Y42-G44 PolarHBondContact O-N 3.17Å; Y42-G44 VanDerWaalsContact O-N 3.1Å; Y42-D45 WeakPolarHBondContact CB-OD2 3.42Å; Y42-D45 PolarHBondContact O-N 2.83Å; Y42-Y47 VanDerWaalsContact CD2-OH 3.27Å; Y42-Y47 WeakPolarHBondContact CD2-OH 3.48Å; Y42-Y47 PolarHBondContact N-OH 3.21Å; Y42-W63 WeakPolarHBondContact O-CZ3 3.45Å; Y42-K116 WeakPolarHBondContact CA-O 3.31Å; Y42-K116 HydrophobicContact CD1-CB 3.3Å; Y42-K116 HydrophobicContact CD1-CD 3.73Å; Y42-K116 HydrophobicContact CD1-CG 4.19Å; Y42-K116 HydrophobicContact CD2-CD 4.27Å; Y42-K116 HydrophobicContact CE1-CB 3.57Å; Y42-K116 HydrophobicContact CE1-CD 3.24Å; Y42-K116 HydrophobicContact CE1-CG 4.05Å; Y42-K116 HydrophobicContact CE2-CD 3.81Å; Y42-K116 HydrophobicContact CG-CB 4Å; Y42-K116 HydrophobicContact CG-CD 4.21Å; Y42-K116 WeakPolarHBondContact OH-CD 3.5Å; Y42-K116 PolarHBondContact OH-NZ 3.31Å; Y42-K116 VanDerWaalsContact OH-NZ 3.08Å; Y42-E118 WeakPolarHBondContact CD1-O 3.46Å; Y42-E118 VanDerWaalsContact CE1-O 3.23Å; Y42-E118 WeakPolarHBondContact CE1-O 3.16Å; Y42-G119 WeakPolarHBondContact CD1-O 3.32Å
43N77.3Confident84.4Confident7 Ų731.2 Ų31.24%0.03718%0.181CC..THydrogen-bonded Turntrans-64.7-14-179.666.7-19.3000114.7G65 E66 K67 S68 K116N43-G65 CarbonylContact O-C 3.51Å; N43-G65 WeakPolarHBondContact O-CA 3.12Å; N43-E66 PolarHBondContact O-N 2.81Å; N43-K67 CarbonylContact O-C 3.57Å; N43-K67 WeakPolarHBondContact O-CA 3.5Å; N43-K67 WeakPolarHBondContact O-CB 3.26Å; N43-K67 PolarHBondContact O-N 3.25Å; N43-S68 PolarHBondContact O-N 2.73Å; N43-K116 PolarHBondContact N-O 3.29Å; N43-K116 PolarHBondContact OD1-O 2.84Å
44G80.8Confident84.7Confident12 Ų1231.4 Ų31.412%0.12419%0.19CC..THydrogen-bonded Turntrans-87.8-8.3177.500000115.9Y42 S68Y42-G44 PolarHBondContact O-N 3.17Å; Y42-G44 VanDerWaalsContact O-N 3.1Å; G44-S68 WeakPolarHBondContact O-CA 3.26Å
45D88.5Confident85.1Confident0 Ų035.8 Ų35.80%021%0.207CC..SBendtrans-119.3-179-178.4-21.4-62.2000113.2R24 Y42 Y47 G65 S68 G120 V121R24-D45 IonicContact CZ-OD1 2.73Å; R24-D45 IonicContact CZ-OD2 3.73Å; R24-D45 VanDerWaalsContact CZ-OD2 3.26Å; R24-D45 IonicContact NE-OD1 3.37Å; R24-D45 IonicContact NE-OD2 3.56Å; R24-D45 PolarHBondContact NE-OD2 3.05Å; R24-D45 VanDerWaalsContact NH2-CG 3.29Å; R24-D45 IonicContact NH2-OD1 2.76Å; R24-D45 PolarHBondContact NH2-OD1 3.25Å; R24-D45 IonicContact NH2-OD2 3.59Å; R24-D45 PolarHBondContact NH2-OD2 3.04Å; Y42-D45 WeakPolarHBondContact CB-OD2 3.42Å; Y42-D45 PolarHBondContact O-N 2.83Å; D45-Y47 HydrophobicContact CB-CE2 3.84Å; D45-Y47 PolarHBondContact OD2-OH 2.8Å; D45-G65 PolarHBondContact O-N 3.49Å; D45-G65 VanDerWaalsContact O-N 3.13Å; D45-S68 WeakPolarHBondContact O-CB 3.38Å; D45-G120 WeakPolarHBondContact OD1-CA 3.35Å; D45-V121 PolarHBondContact OD1-N 2.8Å
46S93.8Very high85.5Confident0 Ų036.9 Ų36.90%020%0.198CC..EExtended strand (participates in β ladder)trans-119155.5167.5-62.20000111.6V25 W63V25-S46 VanDerWaalsContact CB-O 3.24Å; V25-S46 WeakPolarHBondContact CB-O 3.5Å; V25-S46 WeakPolarHBondContact CG2-O 3.35Å; V25-S46 PolarHBondContact N-O 2.93Å; S46-W63 CarbonylContact C-O 3.56Å; S46-W63 WeakPolarHBondContact CA-O 3.5Å
47Y95.7Very high86.4Confident1 Ų132.2 Ų32.20%0.00417%0.166CC..EExtended strand (participates in β ladder)trans-140148.9-173.7-62.1-109.1000111.9V22 W23 R24 L33 F41 Y42 D45 M62 W63 C76V22-Y47 HydrophobicContact CG1-CD1 4.37Å; W23-Y47 CarbonylContact O-C 3.19Å; W23-Y47 VanDerWaalsContact O-CA 3.25Å; W23-Y47 WeakPolarHBondContact O-CA 3.25Å; W23-Y47 WeakPolarHBondContact O-CB 3.37Å; R24-Y47 HydrophobicContact CB-CD1 3.84Å; R24-Y47 HydrophobicContact CB-CE1 3.62Å; R24-Y47 HydrophobicContact CG-CD1 4.12Å; R24-Y47 HydrophobicContact CG-CE1 3.54Å; R24-Y47 PolarHBondContact NE-OH 2.95Å; L33-Y47 HydrophobicContact CD1-CD1 4.29Å; L33-Y47 HydrophobicContact CD1-CE1 4.15Å; F41-Y47 HydrophobicContact CB-CD2 4.35Å; F41-Y47 HydrophobicContact CB-CE2 4.03Å; F41-Y47 AromaticContact CD1-CD1 3.55Å; F41-Y47 HydrophobicContact CD1-CD1 3.55Å; F41-Y47 AromaticContact CD1-CD2 3.74Å; F41-Y47 HydrophobicContact CD1-CD2 3.74Å; F41-Y47 AromaticContact CD1-CE1 3.8Å; F41-Y47 HydrophobicContact CD1-CE1 3.8Å; F41-Y47 HydrophobicContact CD1-CE2 4.04Å; F41-Y47 AromaticContact CD1-CG 3.53Å; F41-Y47 HydrophobicContact CD1-CG 3.53Å; F41-Y47 AromaticContact CE1-CD1 3.93Å; F41-Y47 HydrophobicContact CE1-CD1 3.93Å; F41-Y47 AromaticContact CE1-CG 3.95Å; F41-Y47 HydrophobicContact CE1-CG 3.95Å; F41-Y47 HydrophobicContact CG-CD2 4.42Å; Y42-Y47 VanDerWaalsContact CD2-OH 3.27Å; Y42-Y47 WeakPolarHBondContact CD2-OH 3.48Å; Y42-Y47 PolarHBondContact N-OH 3.21Å; D45-Y47 HydrophobicContact CB-CE2 3.84Å; D45-Y47 PolarHBondContact OD2-OH 2.8Å; Y47-M62 WeakPolarHBondContact O-CA 3.37Å; Y47-W63 AromaticContact CD2-CE3 3.57Å; Y47-W63 HydrophobicContact CD2-CE3 3.57Å; Y47-W63 AromaticContact CD2-CZ3 3.92Å; Y47-W63 HydrophobicContact CD2-CZ3 3.92Å; Y47-W63 HydrophobicContact CE2-CE3 4.1Å; Y47-W63 AromaticContact CE2-CZ3 3.95Å; Y47-W63 HydrophobicContact CE2-CZ3 3.95Å; Y47-W63 PolarHBondContact N-O 2.71Å; Y47-W63 PolarHBondContact O-N 3.07Å; Y47-C76 PolarHBondContact O-SG 2.91Å; Y47-C76 VanDerWaalsContact O-SG 3.39Å
48L96.6Very high87.4Confident0 Ų029.6 Ų29.60%016%0.156CC..EExtended strand (participates in β ladder)trans-101.9132.8165.4-64.2-179.2000109.9F11 V22 W23 L60 M62 L79 A80F11-L48 HydrophobicContact CE1-CD1 4.36Å; F11-L48 HydrophobicContact CZ-CD1 3.83Å; V22-L48 CarbonylContact C-O 3.58Å; V22-L48 WeakPolarHBondContact CA-O 3.06Å; W23-L48 HydrophobicContact CB-CB 4.49Å; W23-L48 HydrophobicContact CE3-CB 4.11Å; W23-L48 PolarHBondContact N-O 2.97Å; W23-L48 PolarHBondContact O-N 2.62Å; L48-L60 HydrophobicContact CD2-CD1 4.38Å; L48-M62 HydrophobicContact CD2-CG 3.71Å; L48-L79 HydrophobicContact CD1-CB 3.7Å; L48-A80 HydrophobicContact CD2-CB 3.7Å
49V97.2Very high88.2Confident0 Ų028.7 Ų28.70%015%0.15CC..EExtended strand (participates in β ladder)trans-126.9111.3174.91780000108.2L20 R21 V22 F41 H61 F105 L108 F109L20-V49 HydrophobicContact CD1-CG1 3.6Å; R21-V49 WeakPolarHBondContact O-CA 3.31Å; V22-V49 HydrophobicContact CG1-CG2 4Å; V22-V49 HydrophobicContact CG2-CG1 4.24Å; V22-V49 HydrophobicContact CG2-CG2 4.03Å; F41-V49 HydrophobicContact CE1-CG2 4.21Å; F41-V49 HydrophobicContact CZ-CG2 4.07Å; V49-H61 HydrophobicContact CB-CB 4.29Å; V49-H61 PolarHBondContact N-O 3.36Å; V49-H61 PolarHBondContact O-N 2.77Å; V49-F105 HydrophobicContact CB-CD2 4.42Å; V49-F105 HydrophobicContact CB-CE2 3.84Å; V49-F105 HydrophobicContact CG1-CD2 4.43Å; V49-F105 HydrophobicContact CG1-CE2 4.15Å; V49-F105 HydrophobicContact CG2-CE2 3.59Å; V49-F105 HydrophobicContact CG2-CZ 4.16Å; V49-L108 HydrophobicContact CG1-CD1 3.59Å; V49-F109 HydrophobicContact CG1-CE2 4.5Å; V49-F109 HydrophobicContact CG1-CZ 3.94Å; V49-F109 HydrophobicContact CG2-CZ 4.17Å
50L97.3Very high89.5Confident0 Ų028.4 Ų28.40%015%0.147CC..EExtended strand (participates in β ladder)trans-103.2118.9175.6-179.176000109.2V15 L20 R21 W23 N52 A58 D59 L60 L83 L87V15-L50 HydrophobicContact CB-CD2 3.86Å; L20-L50 CarbonylContact C-O 2.97Å; L20-L50 WeakPolarHBondContact CA-O 3.15Å; R21-L50 PolarHBondContact N-O 2.88Å; R21-L50 PolarHBondContact O-N 2.78Å; W23-L50 HydrophobicContact CH2-CB 4.19Å; W23-L50 HydrophobicContact CH2-CD2 4.26Å; W23-L50 HydrophobicContact CZ3-CB 3.73Å; L50-N52 HydrophobicContact CD2-CB 4.48Å; L50-N52 HydrophobicContact CG-CB 4.5Å; L50-A58 HydrophobicContact CD1-CB 4.15Å; L50-D59 WeakPolarHBondContact CA-O 3.15Å; L50-L60 HydrophobicContact CB-CD1 4.5Å; L50-L60 HydrophobicContact CD1-CB 4.28Å; L50-L60 HydrophobicContact CD1-CD1 4.44Å; L50-L83 HydrophobicContact CB-CD2 4.33Å; L50-L83 HydrophobicContact CD1-CD2 4.48Å; L50-L83 HydrophobicContact CD2-CD1 4.5Å; L50-L83 HydrophobicContact CD2-CD2 4.39Å; L50-L87 HydrophobicContact CD1-CD1 3.68Å; L50-L87 HydrophobicContact CD2-CD1 4.07Å
51M96.5Very high90.6Very high36 Ų3627.8 Ų27.818%0.17714%0.141CC..EExtended strand (participates in β ladder)trans-104.3102164.1174.752.88600108.7L20 R53 A58 D59 L108L20-M51 HydrophobicContact CB-CE 3.85Å; L20-M51 HydrophobicContact CD1-CB 4.45Å; L20-M51 HydrophobicContact CD1-CE 4.29Å; M51-R53 HydrophobicContact CG-CG 4.04Å; M51-R53 HydrophobicContact SD-CG 4.26Å; M51-A58 VanDerWaalsContact O-CA 3.27Å; M51-A58 WeakPolarHBondContact O-CA 3.45Å; M51-D59 PolarHBondContact N-O 2.96Å; M51-D59 PolarHBondContact O-N 2.89Å; M51-L108 HydrophobicContact CB-CD1 4.21Å; M51-L108 HydrophobicContact CB-CD2 3.81Å; M51-L108 HydrophobicContact CE-CD2 3.75Å; M51-L108 HydrophobicContact CG-CD2 3.83Å
52N94.9Very high91.3Very high12 Ų1228 Ų286%0.06414%0.142CC..EExtended strand (participates in β ladder)trans-93.3124.2175.1-179-25.5000109.2V15 R16 S17 P18 G19 L50 G54 A58V15-N52 PolarHBondContact O-ND2 2.87Å; R16-N52 WeakPolarHBondContact CA-ND2 3.37Å; R16-N52 PolarHBondContact O-ND2 3.09Å; S17-N52 PolarHBondContact O-ND2 3.45Å; P18-N52 CarbonylContact C-O 3.56Å; P18-N52 VanDerWaalsContact CA-O 3.26Å; P18-N52 WeakPolarHBondContact CA-O 3.48Å; G19-N52 PolarHBondContact N-O 3.22Å; G19-N52 PolarHBondContact O-N 3.2Å; G19-N52 VanDerWaalsContact O-N 3.16Å; L50-N52 HydrophobicContact CD2-CB 4.48Å; L50-N52 HydrophobicContact CG-CB 4.5Å; N52-G54 PolarHBondContact OD1-N 2.99Å; N52-A58 HydrophobicContact CB-CB 4.34Å
53R92.5Very high91.9Very high85 Ų8525.7 Ų25.732%0.32113%0.134SC..  trans-111.120.4179.1-56.6-176.3-162.277.7-6.6112.8M51 E55 Q56 G57 D59M51-R53 HydrophobicContact CG-CG 4.04Å; M51-R53 HydrophobicContact SD-CG 4.26Å; R53-E55 PolarHBondContact O-N 2.86Å; R53-Q56 HydrophobicContact CB-CB 3.79Å; R53-Q56 PolarHBondContact O-N 3.06Å; R53-G57 WeakPolarHBondContact CA-O 3.37Å; R53-G57 WeakPolarHBondContact CB-O 3.47Å; R53-G57 PolarHBondContact N-O 3.13Å; R53-D59 IonicContact CZ-OD2 3.8Å; R53-D59 IonicContact NH1-OD2 3.92Å; R53-D59 PolarHBondContact NH1-OD2 3.3Å; R53-D59 IonicContact NH2-OD2 3.26Å; R53-D59 PolarHBondContact NH2-OD2 2.87Å
54G89.5Confident92.6Very high33 Ų3325.8 Ų25.834%0.3413%0.134SC..G310 helixtrans67-124.2-179.800000111.8N52 Q56 G57N52-G54 PolarHBondContact OD1-N 2.99Å; G54-Q56 PolarHBondContact O-N 3.37Å; G54-Q56 VanDerWaalsContact O-N 3.13Å; G54-G57 PolarHBondContact O-N 2.86Å
55E84.9Confident92.9Very high209 Ų20925.3 Ų25.398%0.97713%0.129SC*.G310 helixtrans-61.6-19.8179.9-60.6-177.4161.300113.4R53 G57R53-E55 PolarHBondContact O-N 2.86Å; E55-G57 PolarHBondContact O-N 2.95Å
56Q84.1Confident92.6Very high104 Ų10430.7 Ų30.749%0.48615%0.154SC..G310 helixtrans-77.5-2.4173.9-58.5-177.7-4700113.2R53 G54 H201R53-Q56 HydrophobicContact CB-CB 3.79Å; R53-Q56 PolarHBondContact O-N 3.06Å; G54-Q56 PolarHBondContact O-N 3.37Å; G54-Q56 VanDerWaalsContact O-N 3.13Å; Q56-H201 PolarHBondContact NE2-CD2 2.67Å; Q56-H201 PolarHBondContact NE2-NE2 2.96Å
57G88.9Confident91.8Very high6 Ų634.3 Ų34.36%0.06217%0.17CC..  trans87-170.1-177.900000113.9R53 G54 E55 D90R53-G57 WeakPolarHBondContact CA-O 3.37Å; R53-G57 WeakPolarHBondContact CB-O 3.47Å; R53-G57 PolarHBondContact N-O 3.13Å; G54-G57 PolarHBondContact O-N 2.86Å; E55-G57 PolarHBondContact O-N 2.95Å; G57-D90 WeakPolarHBondContact CA-OD2 3.34Å
58A93.6Very high91.3Very high10 Ų1034.7 Ų34.78%0.08317%0.173CC..EExtended strand (participates in β ladder)trans-133.4150.7-179.900000113.3L50 M51 N52 P91 V92L50-A58 HydrophobicContact CD1-CB 4.15Å; M51-A58 VanDerWaalsContact O-CA 3.27Å; M51-A58 WeakPolarHBondContact O-CA 3.45Å; N52-A58 HydrophobicContact CB-CB 4.34Å; A58-P91 HydrophobicContact CB-CB 4.42Å; A58-P91 HydrophobicContact CB-CG 4.33Å; A58-P91 VanDerWaalsContact O-CA 3.29Å; A58-P91 WeakPolarHBondContact O-CA 3.44Å; A58-V92 PolarHBondContact O-N 3.12Å; A58-V92 VanDerWaalsContact O-N 3.1Å
59D95.6Very high90.5Very high21 Ų2136.5 Ų36.511%0.11219%0.186CC..EExtended strand (participates in β ladder)trans-108136.7164.3-68-69.5000110.1L50 M51 R53 H61 V92 H94L50-D59 WeakPolarHBondContact CA-O 3.15Å; M51-D59 PolarHBondContact N-O 2.96Å; M51-D59 PolarHBondContact O-N 2.89Å; R53-D59 IonicContact CZ-OD2 3.8Å; R53-D59 IonicContact NH1-OD2 3.92Å; R53-D59 PolarHBondContact NH1-OD2 3.3Å; R53-D59 IonicContact NH2-OD2 3.26Å; R53-D59 PolarHBondContact NH2-OD2 2.87Å; D59-H61 WeakPolarHBondContact CB-NE2 3.41Å; D59-V92 WeakPolarHBondContact CA-O 3.49Å; D59-H94 IonicContact OD1-CD2 2.92Å; D59-H94 IonicContact OD1-CE1 2.83Å; D59-H94 IonicContact OD1-NE2 2.66Å; D59-H94 PolarHBondContact OD1-NE2 2.87Å
60L96.6Very high89.6Confident0 Ų045.4 Ų45.40%022%0.219CC..EExtended strand (participates in β ladder)trans-120.796.4175.6176.852.4000110.2L48 L50 A80 L83 P91 V92 Q93 H94L48-L60 HydrophobicContact CD2-CD1 4.38Å; L50-L60 HydrophobicContact CB-CD1 4.5Å; L50-L60 HydrophobicContact CD1-CB 4.28Å; L50-L60 HydrophobicContact CD1-CD1 4.44Å; L60-A80 HydrophobicContact CD2-CB 4.13Å; L60-A80 WeakPolarHBondContact CD2-O 3.34Å; L60-A80 HydrophobicContact CG-CB 4.47Å; L60-L83 HydrophobicContact CD1-CD2 3.76Å; L60-L83 HydrophobicContact CD1-CG 4.5Å; L60-L83 HydrophobicContact CD2-CB 4.05Å; L60-L83 HydrophobicContact CD2-CD2 4.26Å; L60-L83 HydrophobicContact CD2-CG 4.12Å; L60-P91 HydrophobicContact CB-CB 3.92Å; L60-V92 PolarHBondContact N-O 2.87Å; L60-Q93 VanDerWaalsContact O-CA 3.24Å; L60-Q93 WeakPolarHBondContact O-CA 3.4Å; L60-H94 PolarHBondContact O-N 2.83Å
61H96.4Very high88.7Confident0 Ų050.2 Ų50.20%025%0.245CC..EExtended strand (participates in β ladder)trans-90.8128.2179-43.8-91.8000110.6V49 D59 H94 Q96 F105V49-H61 HydrophobicContact CB-CB 4.29Å; V49-H61 PolarHBondContact N-O 3.36Å; V49-H61 PolarHBondContact O-N 2.77Å; D59-H61 WeakPolarHBondContact CB-NE2 3.41Å; H61-H94 CarbonylContact C-O 3.5Å; H61-H94 WeakPolarHBondContact CA-O 3.36Å; H61-H94 HydrophobicContact CB-CB 4.33Å; H61-H94 AromaticContact CE1-CD2 3.36Å; H61-H94 PolarHBondContact CE1-CD2 2.95Å; H61-H94 AromaticContact CE1-CG 3.86Å; H61-H94 AromaticContact CE1-NE2 3.82Å; H61-H94 WeakPolarHBondContact ND1-CB 3.35Å; H61-H94 AromaticContact ND1-CD2 3.24Å; H61-H94 PolarHBondContact ND1-CD2 2.86Å; H61-H94 AromaticContact ND1-CG 3.41Å; H61-Q96 HydrophobicContact CB-CG 3.92Å; H61-Q96 PolarHBondContact ND1-NE2 2.91Å; H61-F105 HydrophobicContact CB-CD2 3.56Å; H61-F105 HydrophobicContact CB-CE2 3.94Å; H61-F105 AromaticContact CD2-CD2 4Å; H61-F105 AromaticContact CG-CD2 3.67Å
62M95.8Very high88Confident4 Ų449.5 Ų49.52%0.0224%0.241CC..EExtended strand (participates in β ladder)trans-93.4108.3164.5-69.9148.8-7800107.6Y47 L48 A80 Q93 H94 Q96 L307Y47-M62 WeakPolarHBondContact O-CA 3.37Å; L48-M62 HydrophobicContact CD2-CG 3.71Å; M62-A80 HydrophobicContact CE-CB 4.22Å; M62-A80 HydrophobicContact CG-CB 3.62Å; M62-A80 HydrophobicContact SD-CB 3.42Å; M62-A80 WeakPolarHBondContact SD-CB 3.44Å; M62-Q93 HydrophobicContact CE-CB 3.81Å; M62-H94 PolarHBondContact N-O 3.07Å; M62-Q96 PolarHBondContact O-N 3.47Å; M62-L307 HydrophobicContact CE-CD1 4.01Å; M62-L307 HydrophobicContact CE-CD2 3.8Å; M62-L307 HydrophobicContact CE-CG 4.46Å; M62-L307 HydrophobicContact SD-CD1 3.41Å; M62-L307 WeakPolarHBondContact SD-CD1 3.47Å; M62-L307 HydrophobicContact SD-CD2 3.83Å; M62-L307 HydrophobicContact SD-CG 4.27Å
63W94.4Very high87.6Confident0 Ų050 Ų500%024%0.243CC..EExtended strand (participates in β ladder)trans-89.5128.7173.4-17394.2000110.1F41 Y42 S46 Y47 G65 Q96 Q98 E101 F105 Y115F41-W63 HydrophobicContact CB-CD2 4.2Å; F41-W63 HydrophobicContact CB-CE3 4.01Å; F41-W63 HydrophobicContact CB-CH2 3.49Å; F41-W63 VanDerWaalsContact CB-CH2 3.49Å; F41-W63 HydrophobicContact CB-CZ2 3.74Å; F41-W63 HydrophobicContact CB-CZ3 3.65Å; F41-W63 HydrophobicContact CD2-CD2 4.2Å; F41-W63 AromaticContact CD2-CE2 3.93Å; F41-W63 HydrophobicContact CD2-CG 4.45Å; F41-W63 HydrophobicContact CD2-CZ2 4.25Å; F41-W63 HydrophobicContact CG-CD2 4.06Å; F41-W63 HydrophobicContact CG-CE3 4.22Å; F41-W63 HydrophobicContact CG-CH2 4.37Å; F41-W63 HydrophobicContact CG-CZ2 4.25Å; F41-W63 HydrophobicContact CG-CZ3 4.36Å; Y42-W63 WeakPolarHBondContact O-CZ3 3.45Å; S46-W63 CarbonylContact C-O 3.56Å; S46-W63 WeakPolarHBondContact CA-O 3.5Å; Y47-W63 AromaticContact CD2-CE3 3.57Å; Y47-W63 HydrophobicContact CD2-CE3 3.57Å; Y47-W63 AromaticContact CD2-CZ3 3.92Å; Y47-W63 HydrophobicContact CD2-CZ3 3.92Å; Y47-W63 HydrophobicContact CE2-CE3 4.1Å; Y47-W63 AromaticContact CE2-CZ3 3.95Å; Y47-W63 HydrophobicContact CE2-CZ3 3.95Å; Y47-W63 PolarHBondContact N-O 2.71Å; Y47-W63 PolarHBondContact O-N 3.07Å; W63-G65 VanDerWaalsContact CZ3-N 3.28Å; W63-Q96 WeakPolarHBondContact CA-O 3.42Å; W63-Q98 HydrophobicContact CH2-CB 4.19Å; W63-Q98 HydrophobicContact CH2-CG 4.31Å; W63-Q98 HydrophobicContact CZ2-CB 3.7Å; W63-Q98 HydrophobicContact CZ2-CG 3.84Å; W63-E101 PolarHBondContact NE1-OE1 3.25Å; W63-F105 HydrophobicContact CB-CE2 4.09Å; W63-F105 HydrophobicContact CB-CZ 3.77Å; W63-F105 AromaticContact CD1-CE1 3.43Å; W63-F105 VanDerWaalsContact CD1-CE1 3.43Å; W63-F105 AromaticContact CD1-CZ 3.29Å; W63-F105 HydrophobicContact CG-CE1 4.31Å; W63-F105 AromaticContact CG-CZ 3.76Å; W63-F105 HydrophobicContact CG-CZ 3.76Å; W63-Y115 HydrophobicContact CH2-CD1 4.48Å; W63-Y115 AromaticContact CZ2-CD1 3.78Å; W63-Y115 HydrophobicContact CZ2-CD1 3.78Å; W63-Y115 AromaticContact CZ2-CE1 3.82Å; W63-Y115 HydrophobicContact CZ2-CE1 3.82Å
64I91.4Very high87.2Confident9 Ų949.3 Ų49.35%0.04625%0.248CC..EExtended strand (participates in β ladder)trans-118.9110.2-173.5-55.3-58000108.6S68 Q73 C76 R95 Q96 Q98I64-S68 WeakPolarHBondContact CG2-OG 3.24Å; I64-Q73 HydrophobicContact CD1-CG 4.38Å; I64-Q73 HydrophobicContact CG2-CG 3.82Å; I64-C76 HydrophobicContact CD1-CB 4.31Å; I64-R95 HydrophobicContact CG1-CG 4.41Å; I64-Q96 PolarHBondContact N-O 3.32Å; I64-Q98 PolarHBondContact O-N 2.84Å
65G86.3Confident87Confident2 Ų247.8 Ų47.82%0.02123%0.232CC..  trans-63.7145.3175.400000111.7N43 D45 W63 K67 S68N43-G65 CarbonylContact O-C 3.51Å; N43-G65 WeakPolarHBondContact O-CA 3.12Å; D45-G65 PolarHBondContact O-N 3.49Å; D45-G65 VanDerWaalsContact O-N 3.13Å; W63-G65 VanDerWaalsContact CZ3-N 3.28Å; G65-K67 PolarHBondContact O-N 2.79Å; G65-S68 VanDerWaalsContact O-CB 3.3Å; G65-S68 WeakPolarHBondContact O-CB 3.44Å; G65-S68 PolarHBondContact O-N 3.12Å; G65-S68 PolarHBondContact O-OG 3.39Å
66E82.4Confident87.3Confident113 Ų11337.8 Ų37.853%0.52819%0.186SC..THydrogen-bonded Turntrans-52.6-30.5179.8175.3-171.1-156.900113N43 Q98N43-E66 PolarHBondContact O-N 2.81Å; E66-Q98 HydrophobicContact CB-CB 4.29Å; E66-Q98 VanDerWaalsContact CB-CD 3.46Å; E66-Q98 HydrophobicContact CB-CG 4.43Å; E66-Q98 VanDerWaalsContact CB-OE1 3.27Å; E66-Q98 PolarHBondContact OE2-NE2 3.48Å
67K77.6Confident87.5Confident75 Ų7534.1 Ų34.133%0.32617%0.173SC..THydrogen-bonded Turntrans-113.59.1-176.6-54-167.7-179.4-156.70113.4N43 G65 F125 R126N43-K67 CarbonylContact O-C 3.57Å; N43-K67 WeakPolarHBondContact O-CA 3.5Å; N43-K67 WeakPolarHBondContact O-CB 3.26Å; N43-K67 PolarHBondContact O-N 3.25Å; G65-K67 PolarHBondContact O-N 2.79Å; K67-F125 PolarHBondContact NZ-O 3.16Å; K67-R126 PolarHBondContact NZ-O 2.97Å
68S84.2Confident87.4Confident10 Ų1035.8 Ų35.87%0.0718%0.18CC..  trans-57.7137.4178.8590000112.6N43 G44 D45 I64 G65 Q73N43-S68 PolarHBondContact O-N 2.73Å; G44-S68 WeakPolarHBondContact O-CA 3.26Å; D45-S68 WeakPolarHBondContact O-CB 3.38Å; I64-S68 WeakPolarHBondContact CG2-OG 3.24Å; G65-S68 VanDerWaalsContact O-CB 3.3Å; G65-S68 WeakPolarHBondContact O-CB 3.44Å; G65-S68 PolarHBondContact O-N 3.12Å; G65-S68 PolarHBondContact O-OG 3.39Å; S68-Q73 PolarHBondContact O-NE2 3.43Å; S68-Q73 VanDerWaalsContact O-NE2 3.09Å; S68-Q73 WeakPolarHBondContact OG-CG 3.31Å; S68-Q73 PolarHBondContact OG-NE2 3.33Å
69S80.8Confident87.3Confident38 Ų3835.3 Ų35.327%0.26618%0.176SC..  trans-67.1156.9179.168.20000111.8D71 E72 Q73S69-D71 VanDerWaalsContact C-N 3.26Å; S69-D71 WeakPolarHBondContact CB-OD1 3.44Å; S69-D71 PolarHBondContact O-N 3.08Å; S69-D71 PolarHBondContact OG-OD1 3.22Å; S69-E72 VanDerWaalsContact CB-OE2 3.26Å; S69-E72 WeakPolarHBondContact CB-OE2 3.22Å; S69-E72 PolarHBondContact N-OE2 2.96Å; S69-E72 PolarHBondContact O-N 3Å; S69-E72 VanDerWaalsContact OG-CB 3.3Å; S69-E72 WeakPolarHBondContact OG-CB 2.99Å; S69-E72 VanDerWaalsContact OG-CD 3.25Å; S69-E72 WeakPolarHBondContact OG-CG 3.38Å; S69-E72 PolarHBondContact OG-N 3.49Å; S69-E72 VanDerWaalsContact OG-N 3.08Å; S69-E72 PolarHBondContact OG-OE2 3.37Å; S69-Q73 WeakPolarHBondContact O-CG 3.41Å; S69-Q73 PolarHBondContact O-N 2.75Å
70R79.1Confident87.1Confident186 Ų18634.3 Ų34.370%0.70217%0.17SC*.Hα-helixtrans-64.1-35.2178.5-172177-174.7163.59.1111.4Q73 V74R70-Q73 PolarHBondContact O-N 3.07Å; R70-V74 WeakPolarHBondContact O-CB 3.32Å; R70-V74 VanDerWaalsContact O-CG2 3.28Å; R70-V74 WeakPolarHBondContact O-CG2 3.42Å; R70-V74 PolarHBondContact O-N 3.34Å
71D78.3Confident86.7Confident102 Ų10235.3 Ų35.355%0.54518%0.177SC..Hα-helixtrans-70.9-35.9176.346.5-60.1000112.6S69 V74 A75S69-D71 VanDerWaalsContact C-N 3.26Å; S69-D71 WeakPolarHBondContact CB-OD1 3.44Å; S69-D71 PolarHBondContact O-N 3.08Å; S69-D71 PolarHBondContact OG-OD1 3.22Å; D71-V74 PolarHBondContact O-N 3.39Å; D71-A75 WeakPolarHBondContact O-CB 3.39Å; D71-A75 PolarHBondContact O-N 3.39Å
72E81.8Confident86.3Confident20 Ų2037.8 Ų37.89%0.09319%0.188CC..Hα-helixtrans-67.5-39169.6-73164.412400113S69 A75 C76S69-E72 VanDerWaalsContact CB-OE2 3.26Å; S69-E72 WeakPolarHBondContact CB-OE2 3.22Å; S69-E72 PolarHBondContact N-OE2 2.96Å; S69-E72 PolarHBondContact O-N 3Å; S69-E72 VanDerWaalsContact OG-CB 3.3Å; S69-E72 WeakPolarHBondContact OG-CB 2.99Å; S69-E72 VanDerWaalsContact OG-CD 3.25Å; S69-E72 WeakPolarHBondContact OG-CG 3.38Å; S69-E72 PolarHBondContact OG-N 3.49Å; S69-E72 VanDerWaalsContact OG-N 3.08Å; S69-E72 PolarHBondContact OG-OE2 3.37Å; E72-A75 PolarHBondContact O-N 2.89Å; E72-C76 VanDerWaalsContact O-CB 3.28Å; E72-C76 WeakPolarHBondContact O-CB 3.49Å; E72-C76 PolarHBondContact O-N 3.02Å
73Q85.8Confident86.1Confident22 Ų2237.6 Ų37.610%0.10319%0.187CC..Hα-helixtrans-60.5-45.8174.2-71.7173.924.500111.1I64 S68 S69 R70 C76 A77I64-Q73 HydrophobicContact CD1-CG 4.38Å; I64-Q73 HydrophobicContact CG2-CG 3.82Å; S68-Q73 PolarHBondContact O-NE2 3.43Å; S68-Q73 VanDerWaalsContact O-NE2 3.09Å; S68-Q73 WeakPolarHBondContact OG-CG 3.31Å; S68-Q73 PolarHBondContact OG-NE2 3.33Å; S69-Q73 WeakPolarHBondContact O-CG 3.41Å; S69-Q73 PolarHBondContact O-N 2.75Å; R70-Q73 PolarHBondContact O-N 3.07Å; Q73-C76 PolarHBondContact O-N 3.22Å; Q73-A77 PolarHBondContact O-N 3Å
74V83.1Confident85.9Confident71 Ų7138 Ų3843%0.4319%0.189SC..Hα-helixtrans-66.4-39.4176.3168.30000111.3L4 R70 D71 A77 M78L4-V74 HydrophobicContact CD1-CG1 4.47Å; R70-V74 WeakPolarHBondContact O-CB 3.32Å; R70-V74 VanDerWaalsContact O-CG2 3.28Å; R70-V74 WeakPolarHBondContact O-CG2 3.42Å; R70-V74 PolarHBondContact O-N 3.34Å; D71-V74 PolarHBondContact O-N 3.39Å; V74-A77 PolarHBondContact O-N 3.03Å; V74-M78 VanDerWaalsContact O-CB 3.23Å; V74-M78 WeakPolarHBondContact O-CB 3.4Å; V74-M78 PolarHBondContact O-N 3.5Å
75A86.7Confident85.7Confident1 Ų141.5 Ų41.51%0.00821%0.208CC..Hα-helixtrans-63.3-42.4174.500000111.9V25 M28 D71 E72 M78 L79V25-A75 HydrophobicContact CG1-CB 3.6Å; M28-A75 HydrophobicContact CE-CB 3.43Å; M28-A75 VanDerWaalsContact CE-CB 3.43Å; M28-A75 HydrophobicContact SD-CB 3.66Å; D71-A75 WeakPolarHBondContact O-CB 3.39Å; D71-A75 PolarHBondContact O-N 3.39Å; E72-A75 PolarHBondContact O-N 2.89Å; A75-M78 PolarHBondContact O-N 2.82Å; A75-L79 VanDerWaalsContact O-CB 3.32Å; A75-L79 WeakPolarHBondContact O-CB 3.28Å; A75-L79 WeakPolarHBondContact O-CD1 3.44Å; A75-L79 WeakPolarHBondContact O-CG 3.29Å; A75-L79 PolarHBondContact O-N 3.32Å
76C90.7Very high85.8Confident0 Ų044.8 Ų44.80%022%0.222CC..Hα-helixtrans-60.2-50.5176.6-166.20000111V25 Y47 I64 E72 Q73 M78 L79 A80V25-C76 HydrophobicContact CG2-CB 3.95Å; Y47-C76 PolarHBondContact O-SG 2.91Å; Y47-C76 VanDerWaalsContact O-SG 3.39Å; I64-C76 HydrophobicContact CD1-CB 4.31Å; E72-C76 VanDerWaalsContact O-CB 3.28Å; E72-C76 WeakPolarHBondContact O-CB 3.49Å; E72-C76 PolarHBondContact O-N 3.02Å; Q73-C76 PolarHBondContact O-N 3.22Å; C76-M78 PolarHBondContact O-N 3.24Å; C76-L79 PolarHBondContact O-N 3.12Å; C76-A80 WeakPolarHBondContact O-CB 3.48Å; C76-A80 PolarHBondContact O-N 3.46Å
77A87.8Confident86.1Confident27 Ų2740.7 Ų40.722%0.22320%0.204CC..Hα-helixtrans-58.6-46.9174.700000112.3Q73 V74 L79 A80 T81 L307Q73-A77 PolarHBondContact O-N 3Å; V74-A77 PolarHBondContact O-N 3.03Å; A77-L79 VanDerWaalsContact C-N 3.32Å; A77-L79 PolarHBondContact O-N 2.83Å; A77-A80 PolarHBondContact O-N 3.27Å; A77-T81 PolarHBondContact O-N 3.34Å; A77-T81 PolarHBondContact O-OG1 3.25Å; A77-L307 HydrophobicContact CB-CB 4.49Å; A77-L307 HydrophobicContact CB-CD1 3.76Å
78M86.4Confident86.5Confident40 Ų4040.3 Ų40.320%0.19722%0.222CC..Hα-helixtrans-60.9-37.8177.9-177.2-159.566.800112.6P6 M28 V74 A75 C76 Q82P6-M78 HydrophobicContact CB-CE 4.14Å; M28-M78 HydrophobicContact CE-CE 3.59Å; M28-M78 HydrophobicContact CE-SD 4.03Å; V74-M78 VanDerWaalsContact O-CB 3.23Å; V74-M78 WeakPolarHBondContact O-CB 3.4Å; V74-M78 PolarHBondContact O-N 3.5Å; A75-M78 PolarHBondContact O-N 2.82Å; C76-M78 PolarHBondContact O-N 3.24Å; M78-Q82 WeakPolarHBondContact O-CG 3.46Å; M78-Q82 PolarHBondContact O-N 3.28Å; M78-Q82 PolarHBondContact O-NE2 3.01Å
79L91.5Very high86.6Confident0 Ų040.8 Ų40.80%023%0.228CC..Hα-helixtrans-77.2-35.8178.4-69.3164.3000111.6F11 V25 A30 L48 A75 C76 A77 Q82 L83F11-L79 HydrophobicContact CZ-CB 4.5Å; V25-L79 HydrophobicContact CG1-CD1 4.12Å; V25-L79 HydrophobicContact CG2-CD1 4.18Å; A30-L79 HydrophobicContact CB-CD1 4.3Å; A30-L79 HydrophobicContact CB-CD2 4.48Å; L48-L79 HydrophobicContact CD1-CB 3.7Å; A75-L79 VanDerWaalsContact O-CB 3.32Å; A75-L79 WeakPolarHBondContact O-CB 3.28Å; A75-L79 WeakPolarHBondContact O-CD1 3.44Å; A75-L79 WeakPolarHBondContact O-CG 3.29Å; A75-L79 PolarHBondContact O-N 3.32Å; C76-L79 PolarHBondContact O-N 3.12Å; A77-L79 VanDerWaalsContact C-N 3.32Å; A77-L79 PolarHBondContact O-N 2.83Å; L79-Q82 WeakPolarHBondContact O-CB 3.44Å; L79-Q82 PolarHBondContact O-N 2.94Å; L79-L83 PolarHBondContact O-N 3.2Å
80A91.9Very high86.8Confident0 Ų042.1 Ų42.10%023%0.232CC..Hα-helixtrans-59.9-48.5170.500000111.5L48 L60 M62 C76 A77 Q82 L83 D84L48-A80 HydrophobicContact CD2-CB 3.7Å; L60-A80 HydrophobicContact CD2-CB 4.13Å; L60-A80 WeakPolarHBondContact CD2-O 3.34Å; L60-A80 HydrophobicContact CG-CB 4.47Å; M62-A80 HydrophobicContact CE-CB 4.22Å; M62-A80 HydrophobicContact CG-CB 3.62Å; M62-A80 HydrophobicContact SD-CB 3.42Å; M62-A80 WeakPolarHBondContact SD-CB 3.44Å; C76-A80 WeakPolarHBondContact O-CB 3.48Å; C76-A80 PolarHBondContact O-N 3.46Å; A77-A80 PolarHBondContact O-N 3.27Å; A80-Q82 PolarHBondContact O-N 3.05Å; A80-L83 PolarHBondContact O-N 2.67Å; A80-L83 VanDerWaalsContact O-N 3.08Å; A80-D84 WeakPolarHBondContact O-CB 3.14Å; A80-D84 PolarHBondContact O-N 3.26Å
81T88.7Confident87.5Confident22 Ų2233.2 Ų33.214%0.13520%0.198CC..Hα-helixtrans-58.8-34.5175.4-61.80000112.2A77 N85 N304A77-T81 PolarHBondContact O-N 3.34Å; A77-T81 PolarHBondContact O-OG1 3.25Å; T81-N85 WeakPolarHBondContact O-CB 3.41Å; T81-N85 PolarHBondContact O-N 3.28Å; T81-N85 VanDerWaalsContact O-N 3.12Å; T81-N85 PolarHBondContact O-ND2 3.32Å; T81-N304 HydrophobicContact CG2-CB 3.85Å; T81-N304 WeakPolarHBondContact CG2-OD1 3.19Å
82Q88Confident88.2Confident52 Ų5229 Ų2924%0.24318%0.176CC..Hα-helixtrans-69-40.6173.8-77.2165.182.400112.9F11 M78 L79 A80 F86F11-Q82 HydrophobicContact CE2-CB 4.21Å; M78-Q82 WeakPolarHBondContact O-CG 3.46Å; M78-Q82 PolarHBondContact O-N 3.28Å; M78-Q82 PolarHBondContact O-NE2 3.01Å; L79-Q82 WeakPolarHBondContact O-CB 3.44Å; L79-Q82 PolarHBondContact O-N 2.94Å; A80-Q82 PolarHBondContact O-N 3.05Å; Q82-F86 WeakPolarHBondContact O-CB 3.28Å; Q82-F86 PolarHBondContact O-N 2.86Å
83L91.5Very high88.8Confident0 Ų028.2 Ų28.20%017%0.172CC..Hα-helixtrans-69.9-39.2177.9-176.951.6000112F11 V15 W23 L50 L60 L79 A80 F86 L87F11-L83 HydrophobicContact CB-CD1 4.22Å; F11-L83 HydrophobicContact CD1-CD1 4.08Å; F11-L83 HydrophobicContact CD1-CD2 4.37Å; F11-L83 HydrophobicContact CD2-CB 4.02Å; F11-L83 HydrophobicContact CD2-CD1 4.19Å; F11-L83 HydrophobicContact CE1-CB 4.49Å; F11-L83 HydrophobicContact CE1-CD2 4.09Å; F11-L83 HydrophobicContact CE2-CB 3.75Å; F11-L83 HydrophobicContact CG-CD1 3.9Å; F11-L83 HydrophobicContact CZ-CB 4.01Å; F11-L83 HydrophobicContact CZ-CD2 4.3Å; V15-L83 HydrophobicContact CB-CD1 4.16Å; V15-L83 HydrophobicContact CG1-CD1 4.3Å; V15-L83 HydrophobicContact CG2-CD1 3.81Å; W23-L83 HydrophobicContact CH2-CD2 4.17Å; W23-L83 HydrophobicContact CZ3-CD2 3.99Å; L50-L83 HydrophobicContact CB-CD2 4.33Å; L50-L83 HydrophobicContact CD1-CD2 4.48Å; L50-L83 HydrophobicContact CD2-CD1 4.5Å; L50-L83 HydrophobicContact CD2-CD2 4.39Å; L60-L83 HydrophobicContact CD1-CD2 3.76Å; L60-L83 HydrophobicContact CD1-CG 4.5Å; L60-L83 HydrophobicContact CD2-CB 4.05Å; L60-L83 HydrophobicContact CD2-CD2 4.26Å; L60-L83 HydrophobicContact CD2-CG 4.12Å; L79-L83 PolarHBondContact O-N 3.2Å; A80-L83 PolarHBondContact O-N 2.67Å; A80-L83 VanDerWaalsContact O-N 3.08Å; L83-F86 PolarHBondContact O-N 3Å; L83-L87 HydrophobicContact CD1-CD1 3.93Å; L83-L87 HydrophobicContact CD1-CG 4.24Å; L83-L87 HydrophobicContact CG-CD1 4.12Å; L83-L87 WeakPolarHBondContact O-CB 3.42Å; L83-L87 WeakPolarHBondContact O-CG 3.29Å; L83-L87 PolarHBondContact O-N 2.9Å
84D90Very high89.1Confident7 Ų727.5 Ų27.54%0.03717%0.169CC..Hα-helixtrans-55.4-52.6170.9-170.578.6000111A80 F86 L87 G88 G89 Q93 K293A80-D84 WeakPolarHBondContact O-CB 3.14Å; A80-D84 PolarHBondContact O-N 3.26Å; D84-F86 PolarHBondContact O-N 3.21Å; D84-L87 CarbonylContact O-C 3.33Å; D84-L87 WeakPolarHBondContact O-CA 3.36Å; D84-L87 PolarHBondContact O-N 2.81Å; D84-L87 VanDerWaalsContact O-N 3.13Å; D84-G88 PolarHBondContact O-N 3.44Å; D84-G89 PolarHBondContact O-N 2.73Å; D84-Q93 PolarHBondContact OD1-NE2 2.88Å; D84-Q93 PolarHBondContact OD2-NE2 2.85Å; D84-K293 VanDerWaalsContact CG-NZ 3.25Å; D84-K293 IonicContact OD1-NZ 2.83Å; D84-K293 PolarHBondContact OD1-NZ 2.76Å; D84-K293 IonicContact OD2-NZ 3.58Å; D84-K293 PolarHBondContact OD2-NZ 3.28Å
85N87.4Confident89.5Confident84 Ų8424.9 Ų24.945%0.44915%0.152SC..Hα-helixtrans-63.1-38.1177.2-80.4-71.5000112.7T81 L87 G88 N304T81-N85 WeakPolarHBondContact O-CB 3.41Å; T81-N85 PolarHBondContact O-N 3.28Å; T81-N85 VanDerWaalsContact O-N 3.12Å; T81-N85 PolarHBondContact O-ND2 3.32Å; N85-L87 VanDerWaalsContact C-N 3.25Å; N85-L87 PolarHBondContact O-N 2.73Å; N85-G88 PolarHBondContact O-N 2.89Å; N85-N304 PolarHBondContact ND2-OD1 3.07Å
86F87.9Confident89.7Confident70 Ų7025 Ų2531%0.30715%0.152SC..Hα-helixtrans-65.7-29.3175.4-173.5-91.5000112.8G12 V15 R16 Q82 L83 D84 G88G12-F86 VanDerWaalsContact O-CE1 3.25Å; G12-F86 WeakPolarHBondContact O-CE1 3.43Å; G12-F86 WeakPolarHBondContact O-CZ 3.42Å; V15-F86 HydrophobicContact CG2-CD1 3.59Å; V15-F86 HydrophobicContact CG2-CE1 3.6Å; R16-F86 HydrophobicContact CG-CE1 4.36Å; R16-F86 PolarHBondContact NH2-O 3.05Å; Q82-F86 WeakPolarHBondContact O-CB 3.28Å; Q82-F86 PolarHBondContact O-N 2.86Å; L83-F86 PolarHBondContact O-N 3Å; D84-F86 PolarHBondContact O-N 3.21Å; F86-G88 VanDerWaalsContact C-N 3.34Å
87L89.3Confident89.5Confident27 Ų2725.4 Ų25.414%0.14115%0.154CC..THydrogen-bonded Turntrans-90.47.5172.9-67.6171.5000113.1V15 R16 L50 L83 D84 N85 G89 P91V15-L87 HydrophobicContact CG2-CD2 4.05Å; V15-L87 HydrophobicContact CG2-CG 4.46Å; R16-L87 HydrophobicContact CG-CD2 3.88Å; L50-L87 HydrophobicContact CD1-CD1 3.68Å; L50-L87 HydrophobicContact CD2-CD1 4.07Å; L83-L87 HydrophobicContact CD1-CD1 3.93Å; L83-L87 HydrophobicContact CD1-CG 4.24Å; L83-L87 HydrophobicContact CG-CD1 4.12Å; L83-L87 WeakPolarHBondContact O-CB 3.42Å; L83-L87 WeakPolarHBondContact O-CG 3.29Å; L83-L87 PolarHBondContact O-N 2.9Å; D84-L87 CarbonylContact O-C 3.33Å; D84-L87 WeakPolarHBondContact O-CA 3.36Å; D84-L87 PolarHBondContact O-N 2.81Å; D84-L87 VanDerWaalsContact O-N 3.13Å; N85-L87 VanDerWaalsContact C-N 3.25Å; N85-L87 PolarHBondContact O-N 2.73Å; L87-G89 VanDerWaalsContact C-N 3.31Å; L87-G89 PolarHBondContact O-N 3.46Å; L87-P91 HydrophobicContact CB-CG 3.85Å; L87-P91 HydrophobicContact CD1-CG 3.62Å; L87-P91 HydrophobicContact CG-CG 4.39Å
88G86.1Confident89.1Confident68 Ų6825.2 Ų25.270%0.70115%0.149SC*.THydrogen-bonded Turntrans74.413.4175.800000115.5D84 N85 F86D84-G88 PolarHBondContact O-N 3.44Å; N85-G88 PolarHBondContact O-N 2.89Å; F86-G88 VanDerWaalsContact C-N 3.34Å
89G85.1Confident88.5Confident20 Ų2025.7 Ų25.721%0.20616%0.164CC..THydrogen-bonded Turntrans82.48.4-17800000115.1D84 L87 P91 P330D84-G89 PolarHBondContact O-N 2.73Å; L87-G89 VanDerWaalsContact C-N 3.31Å; L87-G89 PolarHBondContact O-N 3.46Å; G89-P91 VanDerWaalsContact C-CD 3.44Å; G89-P330 WeakPolarHBondContact O-CB 3.23Å; G89-P330 WeakPolarHBondContact O-CG 3.34Å
90D86.8Confident87.8Confident65 Ų6530 Ų3035%0.34818%0.183SC..  trans-61.1-37.1174.5-169.185.3000115.1G57 K333G57-D90 WeakPolarHBondContact CA-OD2 3.34Å; D90-K333 WeakPolarHBondContact OD1-CE 3.45Å; D90-K333 IonicContact OD1-NZ 2.74Å; D90-K333 PolarHBondContact OD1-NZ 2.82Å; D90-K333 IonicContact OD2-NZ 2.72Å; D90-K333 PolarHBondContact OD2-NZ 2.7Å
91P92.8Very high87.3Confident0 Ų031 Ų310%019%0.188CC..  trans-66.1136.8-172.9-2334000114.4A58 L60 L87 G89A58-P91 HydrophobicContact CB-CB 4.42Å; A58-P91 HydrophobicContact CB-CG 4.33Å; A58-P91 VanDerWaalsContact O-CA 3.29Å; A58-P91 WeakPolarHBondContact O-CA 3.44Å; L60-P91 HydrophobicContact CB-CB 3.92Å; L87-P91 HydrophobicContact CB-CG 3.85Å; L87-P91 HydrophobicContact CD1-CG 3.62Å; L87-P91 HydrophobicContact CG-CG 4.39Å; G89-P91 VanDerWaalsContact C-CD 3.44Å
92V92.4Very high86.6Confident12 Ų1230 Ų307%0.07318%0.182CC..EExtended strand (participates in β ladder)trans-71.9131.3157.2179.20000107.5A58 D59 L60 H94 E327 L329 K333A58-V92 PolarHBondContact O-N 3.12Å; A58-V92 VanDerWaalsContact O-N 3.1Å; D59-V92 WeakPolarHBondContact CA-O 3.49Å; L60-V92 PolarHBondContact N-O 2.87Å; V92-H94 WeakPolarHBondContact CG1-NE2 3.19Å; V92-E327 HydrophobicContact CG1-CG 4.37Å; V92-L329 HydrophobicContact CG1-CD2 3.7Å; V92-L329 HydrophobicContact CG2-CD2 4.23Å; V92-K333 HydrophobicContact CG2-CB 3.86Å
93Q94.5Very high85.7Confident4 Ų427.6 Ų27.62%0.01917%0.171CC..EExtended strand (participates in β ladder)trans-108.4139-179.4-40.5172.710.600111.5L60 M62 D84 K293 I328L60-Q93 VanDerWaalsContact O-CA 3.24Å; L60-Q93 WeakPolarHBondContact O-CA 3.4Å; M62-Q93 HydrophobicContact CE-CB 3.81Å; D84-Q93 PolarHBondContact OD1-NE2 2.88Å; D84-Q93 PolarHBondContact OD2-NE2 2.85Å; Q93-K293 VanDerWaalsContact NE2-NZ 3.13Å; Q93-I328 HydrophobicContact CB-CB 4.06Å; Q93-I328 PolarHBondContact N-O 2.8Å; Q93-I328 PolarHBondContact O-N 2.61Å
94H92.7Very high85.1Confident8 Ų829.8 Ų29.84%0.03718%0.181CC..EExtended strand (participates in β ladder)trans-128.5130.1-175-55.7-93.5000110.5D59 L60 H61 M62 V92D59-H94 IonicContact OD1-CD2 2.92Å; D59-H94 IonicContact OD1-CE1 2.83Å; D59-H94 IonicContact OD1-NE2 2.66Å; D59-H94 PolarHBondContact OD1-NE2 2.87Å; L60-H94 PolarHBondContact O-N 2.83Å; H61-H94 CarbonylContact C-O 3.5Å; H61-H94 WeakPolarHBondContact CA-O 3.36Å; H61-H94 HydrophobicContact CB-CB 4.33Å; H61-H94 AromaticContact CE1-CD2 3.36Å; H61-H94 PolarHBondContact CE1-CD2 2.95Å; H61-H94 AromaticContact CE1-CG 3.86Å; H61-H94 AromaticContact CE1-NE2 3.82Å; H61-H94 WeakPolarHBondContact ND1-CB 3.35Å; H61-H94 AromaticContact ND1-CD2 3.24Å; H61-H94 PolarHBondContact ND1-CD2 2.86Å; H61-H94 AromaticContact ND1-CG 3.41Å; M62-H94 PolarHBondContact N-O 3.07Å; V92-H94 WeakPolarHBondContact CG1-NE2 3.19Å
95R92.1Very high84.9Confident16 Ų1629.5 Ų29.56%0.0618%0.179CC..EExtended strand (participates in β ladder)trans-92.6101.7170.3-176.4177.8172.3-96.6-3109.5I64 R321 T324 V326I64-R95 HydrophobicContact CG1-CG 4.41Å; R95-R321 PolarHBondContact NH1-O 3.34Å; R95-R321 PolarHBondContact NH2-O 2.97Å; R95-R321 VanDerWaalsContact NH2-O 3.08Å; R95-T324 PolarHBondContact NH1-O 3.43Å; R95-V326 HydrophobicContact CB-CB 3.88Å; R95-V326 HydrophobicContact CB-CG2 4.48Å; R95-V326 PolarHBondContact N-O 3.2Å
96Q90.6Very high84.4Confident3 Ų326 Ų261%0.01416%0.16CC..EExtended strand (participates in β ladder)trans-92.2129.9175.5-49.8-63.111.800109.2H61 M62 W63 I64 E101 S102 F105H61-Q96 HydrophobicContact CB-CG 3.92Å; H61-Q96 PolarHBondContact ND1-NE2 2.91Å; M62-Q96 PolarHBondContact O-N 3.47Å; W63-Q96 WeakPolarHBondContact CA-O 3.42Å; I64-Q96 PolarHBondContact N-O 3.32Å; Q96-E101 HydrophobicContact CB-CB 4.38Å; Q96-E101 HydrophobicContact CB-CG 4.04Å; Q96-S102 PolarHBondContact NE2-OG 2.67Å; Q96-F105 HydrophobicContact CG-CB 4.09Å; Q96-F105 HydrophobicContact CG-CD1 4.5Å; Q96-F105 HydrophobicContact CG-CD2 3.85Å; Q96-F105 HydrophobicContact CG-CE2 4.32Å; Q96-F105 HydrophobicContact CG-CG 3.92Å
97V85.1Confident84Confident8 Ų826.8 Ų26.85%0.04817%0.165CC..EExtended strand (participates in β ladder)trans-113.3136.8175.5-178.60000107.8G99 F100 E101 M322V97-G99 PolarHBondContact O-N 2.92Å; V97-F100 CarbonylContact O-C 3.57Å; V97-F100 WeakPolarHBondContact O-CA 3.22Å; V97-F100 PolarHBondContact O-N 3.2Å; V97-E101 PolarHBondContact O-N 3.22Å; V97-M322 HydrophobicContact CG1-CB 4.38Å; V97-M322 HydrophobicContact CG1-SD 4.34Å
98Q81.1Confident83.7Confident23 Ų2326.3 Ų26.311%0.10716%0.162CC..THydrogen-bonded Turntrans-49.7124179.2-178.2-164.1-48.700112.8W63 I64 E66 F100 E101 Y115W63-Q98 HydrophobicContact CH2-CB 4.19Å; W63-Q98 HydrophobicContact CH2-CG 4.31Å; W63-Q98 HydrophobicContact CZ2-CB 3.7Å; W63-Q98 HydrophobicContact CZ2-CG 3.84Å; I64-Q98 PolarHBondContact O-N 2.84Å; E66-Q98 HydrophobicContact CB-CB 4.29Å; E66-Q98 VanDerWaalsContact CB-CD 3.46Å; E66-Q98 HydrophobicContact CB-CG 4.43Å; E66-Q98 VanDerWaalsContact CB-OE1 3.27Å; E66-Q98 PolarHBondContact OE2-NE2 3.48Å; Q98-F100 VanDerWaalsContact C-N 3.31Å; Q98-E101 WeakPolarHBondContact CA-OE1 3.47Å; Q98-Y115 HydrophobicContact CG-CD1 4.11Å; Q98-Y115 HydrophobicContact CG-CD2 4.38Å; Q98-Y115 HydrophobicContact CG-CE1 4.18Å; Q98-Y115 HydrophobicContact CG-CE2 4.42Å; Q98-Y115 HydrophobicContact CG-CG 4.25Å
99G73.2Confident83.3Confident50 Ų5023.4 Ų23.452%0.51513%0.13SC..THydrogen-bonded Turntrans82.81.7-177.300000114.8V97 E101V97-G99 PolarHBondContact O-N 2.92Å; G99-E101 VanDerWaalsContact CA-OE2 3.32Å; G99-E101 WeakPolarHBondContact CA-OE2 3.33Å; G99-E101 PolarHBondContact N-OE1 2.67Å; G99-E101 PolarHBondContact N-OE2 2.66Å
100F76.9Confident82.3Confident91 Ų9127.6 Ų27.640%0.39915%0.154SC..  trans-139.720.1179-62.8-81.1000111.8V97 Q98 M322 K323 Q325V97-F100 CarbonylContact O-C 3.57Å; V97-F100 WeakPolarHBondContact O-CA 3.22Å; V97-F100 PolarHBondContact O-N 3.2Å; Q98-F100 VanDerWaalsContact C-N 3.31Å; F100-M322 WeakPolarHBondContact CD2-O 3.49Å; F100-K323 HydrophobicContact CE1-CD 4.25Å; F100-K323 HydrophobicContact CE1-CG 4.15Å; F100-K323 HydrophobicContact CE2-CG 4.17Å; F100-K323 HydrophobicContact CZ-CD 4.04Å; F100-K323 HydrophobicContact CZ-CG 3.9Å; F100-Q325 PolarHBondContact O-NE2 2.83Å
101E80.5Confident80.7Confident21 Ų2134.4 Ų34.410%0.09818%0.175CC..  trans-61.2138.3176.7-59.692155.300111.5W63 Q96 V97 Q98 G99 F105 M106 Y115W63-E101 PolarHBondContact NE1-OE1 3.25Å; Q96-E101 HydrophobicContact CB-CB 4.38Å; Q96-E101 HydrophobicContact CB-CG 4.04Å; V97-E101 PolarHBondContact O-N 3.22Å; Q98-E101 WeakPolarHBondContact CA-OE1 3.47Å; G99-E101 VanDerWaalsContact CA-OE2 3.32Å; G99-E101 WeakPolarHBondContact CA-OE2 3.33Å; G99-E101 PolarHBondContact N-OE1 2.67Å; G99-E101 PolarHBondContact N-OE2 2.66Å; E101-F105 HydrophobicContact CB-CD1 3.92Å; E101-F105 HydrophobicContact CB-CE1 4.48Å; E101-F105 HydrophobicContact CG-CD1 3.94Å; E101-F105 HydrophobicContact CG-CE1 4Å; E101-M106 HydrophobicContact CB-CG 4.25Å; E101-M106 HydrophobicContact CB-SD 4.15Å; E101-Y115 VanDerWaalsContact CD-OH 3.31Å; E101-Y115 WeakPolarHBondContact OE1-CE1 3.4Å; E101-Y115 PolarHBondContact OE1-OH 3.13Å; E101-Y115 PolarHBondContact OE2-OH 3.33Å
102S75.4Confident78.8Confident2 Ų235.1 Ų35.11%0.01418%0.182CC..  trans-68.7149.3174.685.60000111.3Q96 E104 F105 M106Q96-S102 PolarHBondContact NE2-OG 2.67Å; S102-E104 VanDerWaalsContact C-N 3.25Å; S102-E104 WeakPolarHBondContact CB-OE2 3.5Å; S102-E104 PolarHBondContact O-N 3.02Å; S102-E104 PolarHBondContact OG-OE2 3.18Å; S102-F105 WeakPolarHBondContact O-CB 3.34Å; S102-F105 PolarHBondContact O-N 2.96Å; S102-M106 PolarHBondContact O-N 2.97Å
103P67.9Low77.6Confident1 Ų134.6 Ų34.61%0.00618%0.179CC..Hα-helixtrans-63-28.8-174.4-2435.6000113.7F105 M106 E107 V134 R136 E150P103-F105 PolarHBondContact O-N 3.38Å; P103-M106 PolarHBondContact O-N 2.81Å; P103-E107 WeakPolarHBondContact O-CG 3.43Å; P103-E107 PolarHBondContact O-N 2.88Å; P103-V134 HydrophobicContact CB-CB 4.18Å; P103-V134 HydrophobicContact CB-CG1 3.8Å; P103-V134 HydrophobicContact CG-CG1 3.77Å; P103-R136 HydrophobicContact CB-CG 3.75Å; P103-R136 HydrophobicContact CG-CB 4.29Å; P103-R136 HydrophobicContact CG-CG 3.71Å; P103-E150 WeakPolarHBondContact CD-OE1 3.32Å
104E79.4Confident76.1Confident46 Ų4637.2 Ų37.222%0.21520%0.198CC..Hα-helixtrans-52.5-40.1173.3-62.677.7-173.200112.1S102 L108 R136S102-E104 VanDerWaalsContact C-N 3.25Å; S102-E104 WeakPolarHBondContact CB-OE2 3.5Å; S102-E104 PolarHBondContact O-N 3.02Å; S102-E104 PolarHBondContact OG-OE2 3.18Å; E104-L108 WeakPolarHBondContact O-CG 3.49Å; E104-R136 VanDerWaalsContact CD-NH2 3.32Å; E104-R136 IonicContact OE1-CZ 3.82Å; E104-R136 IonicContact OE1-NH1 3.37Å; E104-R136 PolarHBondContact OE1-NH1 2.83Å; E104-R136 IonicContact OE1-NH2 3.9Å; E104-R136 PolarHBondContact OE1-NH2 2.87Å; E104-R136 IonicContact OE2-NH1 2.83Å; E104-R136 IonicContact OE2-NH2 2.61Å
105F85.4Confident74.9Confident0 Ų038.9 Ų38.90%020%0.204CC..Hα-helixtrans-72.9-36.2179.8174.1-92.7000111.4F41 V49 H61 W63 Q96 E101 S102 P103 L108 F109F41-F105 HydrophobicContact CD2-CZ 4.49Å; F41-F105 AromaticContact CE2-CE1 3.8Å; F41-F105 HydrophobicContact CE2-CE1 3.8Å; F41-F105 AromaticContact CE2-CZ 3.54Å; F41-F105 HydrophobicContact CE2-CZ 3.54Å; F41-F105 HydrophobicContact CZ-CE1 4.3Å; F41-F105 HydrophobicContact CZ-CE2 4.45Å; F41-F105 AromaticContact CZ-CZ 3.6Å; F41-F105 HydrophobicContact CZ-CZ 3.6Å; V49-F105 HydrophobicContact CB-CD2 4.42Å; V49-F105 HydrophobicContact CB-CE2 3.84Å; V49-F105 HydrophobicContact CG1-CD2 4.43Å; V49-F105 HydrophobicContact CG1-CE2 4.15Å; V49-F105 HydrophobicContact CG2-CE2 3.59Å; V49-F105 HydrophobicContact CG2-CZ 4.16Å; H61-F105 HydrophobicContact CB-CD2 3.56Å; H61-F105 HydrophobicContact CB-CE2 3.94Å; H61-F105 AromaticContact CD2-CD2 4Å; H61-F105 AromaticContact CG-CD2 3.67Å; W63-F105 HydrophobicContact CB-CE2 4.09Å; W63-F105 HydrophobicContact CB-CZ 3.77Å; W63-F105 AromaticContact CD1-CE1 3.43Å; W63-F105 VanDerWaalsContact CD1-CE1 3.43Å; W63-F105 AromaticContact CD1-CZ 3.29Å; W63-F105 HydrophobicContact CG-CE1 4.31Å; W63-F105 AromaticContact CG-CZ 3.76Å; W63-F105 HydrophobicContact CG-CZ 3.76Å; Q96-F105 HydrophobicContact CG-CB 4.09Å; Q96-F105 HydrophobicContact CG-CD1 4.5Å; Q96-F105 HydrophobicContact CG-CD2 3.85Å; Q96-F105 HydrophobicContact CG-CE2 4.32Å; Q96-F105 HydrophobicContact CG-CG 3.92Å; E101-F105 HydrophobicContact CB-CD1 3.92Å; E101-F105 HydrophobicContact CB-CE1 4.48Å; E101-F105 HydrophobicContact CG-CD1 3.94Å; E101-F105 HydrophobicContact CG-CE1 4Å; S102-F105 WeakPolarHBondContact O-CB 3.34Å; S102-F105 PolarHBondContact O-N 2.96Å; P103-F105 PolarHBondContact O-N 3.38Å; F105-L108 HydrophobicContact CD2-CD1 4.4Å; F105-L108 VanDerWaalsContact O-CB 3.29Å; F105-L108 WeakPolarHBondContact O-CB 3.31Å; F105-L108 WeakPolarHBondContact O-CG 3.45Å; F105-L108 PolarHBondContact O-N 2.92Å; F105-F109 HydrophobicContact CD1-CD2 4.49Å; F105-F109 HydrophobicContact CD1-CE2 4.11Å; F105-F109 HydrophobicContact CD2-CE2 4.24Å; F105-F109 HydrophobicContact CE1-CD2 4.34Å; F105-F109 AromaticContact CE1-CE2 3.8Å; F105-F109 HydrophobicContact CE1-CE2 3.8Å; F105-F109 AromaticContact CE2-CE2 3.99Å; F105-F109 HydrophobicContact CE2-CE2 3.99Å; F105-F109 HydrophobicContact CE2-CZ 4.5Å; F105-F109 HydrophobicContact CG-CE2 4.33Å; F105-F109 AromaticContact CZ-CE2 3.75Å; F105-F109 HydrophobicContact CZ-CE2 3.75Å; F105-F109 HydrophobicContact CZ-CZ 4.37Å; F105-F109 WeakPolarHBondContact O-CD2 3.34Å; F105-F109 VanDerWaalsContact O-CE2 3.29Å; F105-F109 WeakPolarHBondContact O-CE2 3.37Å
106M76.9Confident73.4Confident10 Ų1040.6 Ų40.65%0.04921%0.212CC..Hα-helixtrans-72.9-33.1178.8-60.8-66.9-74.600111.6E101 S102 P103 L108 F109 V113 G132 V134E101-M106 HydrophobicContact CB-CG 4.25Å; E101-M106 HydrophobicContact CB-SD 4.15Å; S102-M106 PolarHBondContact O-N 2.97Å; P103-M106 PolarHBondContact O-N 2.81Å; M106-L108 PolarHBondContact O-N 2.63Å; M106-F109 PolarHBondContact O-N 2.93Å; M106-V113 HydrophobicContact CE-CB 3.99Å; M106-V113 HydrophobicContact CE-CG2 3.98Å; M106-V113 HydrophobicContact SD-CB 4.04Å; M106-V113 HydrophobicContact SD-CG2 3.58Å; M106-V113 VanDerWaalsContact SD-CG2 3.58Å; M106-G132 WeakPolarHBondContact CE-O 3.41Å; M106-V134 HydrophobicContact CB-CB 3.92Å; M106-V134 HydrophobicContact CB-CG2 3.72Å; M106-V134 HydrophobicContact CE-CG2 3.77Å; M106-V134 HydrophobicContact CG-CB 4.24Å; M106-V134 HydrophobicContact CG-CG2 3.65Å
107E80.6Confident71.6Confident88 Ų8842 Ų4241%0.41122%0.218SC..Hα-helixtrans-58-27.7170.4-72.2170.7-131.400112.4P103 F109 R136 R200P103-E107 WeakPolarHBondContact O-CG 3.43Å; P103-E107 PolarHBondContact O-N 2.88Å; E107-F109 PolarHBondContact O-N 2.94Å; E107-R136 IonicContact OE1-CZ 2.76Å; E107-R136 IonicContact OE1-NE 3.65Å; E107-R136 IonicContact OE1-NH2 3.78Å; E107-R136 PolarHBondContact OE1-NH2 3.11Å; E107-R200 IonicContact OE1-NH2 2.81Å
108L83.1Confident69.8Low16 Ų1647.4 Ų47.48%0.08424%0.243CC..THydrogen-bonded Turntrans-67.7-18.5176-47.2-178.8000113.2L20 V49 M51 E104 F105 M106 P110L20-L108 HydrophobicContact CD1-CB 4.1Å; L20-L108 HydrophobicContact CD1-CD1 3.94Å; L20-L108 HydrophobicContact CD1-CG 4.49Å; L20-L108 HydrophobicContact CD2-CB 4.3Å; L20-L108 WeakPolarHBondContact CD2-O 3.36Å; V49-L108 HydrophobicContact CG1-CD1 3.59Å; M51-L108 HydrophobicContact CB-CD1 4.21Å; M51-L108 HydrophobicContact CB-CD2 3.81Å; M51-L108 HydrophobicContact CE-CD2 3.75Å; M51-L108 HydrophobicContact CG-CD2 3.83Å; E104-L108 WeakPolarHBondContact O-CG 3.49Å; F105-L108 HydrophobicContact CD2-CD1 4.4Å; F105-L108 VanDerWaalsContact O-CB 3.29Å; F105-L108 WeakPolarHBondContact O-CB 3.31Å; F105-L108 WeakPolarHBondContact O-CG 3.45Å; F105-L108 PolarHBondContact O-N 2.92Å; M106-L108 PolarHBondContact O-N 2.63Å; L108-P110 VanDerWaalsContact C-CD 3.5Å; L108-P110 VanDerWaalsContact O-CD 3.28Å; L108-P110 WeakPolarHBondContact O-CD 3.41Å
109F78.1Confident68.3Low7 Ų748.9 Ų48.93%0.03126%0.264CS..  trans-12075.6-174.9-53.9-71.8000110.3L20 V22 V38 G39 F41 V49 F105 M106 E107 R111 G112 V113L20-F109 HydrophobicContact CD2-CD1 4.45Å; L20-F109 HydrophobicContact CD2-CE1 4.03Å; V22-F109 HydrophobicContact CG2-CE1 4.21Å; V22-F109 HydrophobicContact CG2-CZ 4.34Å; V38-F109 HydrophobicContact CG1-CD1 4.13Å; V38-F109 HydrophobicContact CG1-CE1 3.79Å; G39-F109 VanDerWaalsContact CA-CD1 3.43Å; F41-F109 HydrophobicContact CE2-CE2 4.11Å; F41-F109 HydrophobicContact CE2-CZ 4.2Å; F41-F109 HydrophobicContact CZ-CE1 4.21Å; F41-F109 AromaticContact CZ-CE2 3.96Å; F41-F109 HydrophobicContact CZ-CE2 3.96Å; F41-F109 AromaticContact CZ-CZ 3.63Å; F41-F109 HydrophobicContact CZ-CZ 3.63Å; V49-F109 HydrophobicContact CG1-CE2 4.5Å; V49-F109 HydrophobicContact CG1-CZ 3.94Å; V49-F109 HydrophobicContact CG2-CZ 4.17Å; F105-F109 HydrophobicContact CD1-CD2 4.49Å; F105-F109 HydrophobicContact CD1-CE2 4.11Å; F105-F109 HydrophobicContact CD2-CE2 4.24Å; F105-F109 HydrophobicContact CE1-CD2 4.34Å; F105-F109 AromaticContact CE1-CE2 3.8Å; F105-F109 HydrophobicContact CE1-CE2 3.8Å; F105-F109 AromaticContact CE2-CE2 3.99Å; F105-F109 HydrophobicContact CE2-CE2 3.99Å; F105-F109 HydrophobicContact CE2-CZ 4.5Å; F105-F109 HydrophobicContact CG-CE2 4.33Å; F105-F109 AromaticContact CZ-CE2 3.75Å; F105-F109 HydrophobicContact CZ-CE2 3.75Å; F105-F109 HydrophobicContact CZ-CZ 4.37Å; F105-F109 WeakPolarHBondContact O-CD2 3.34Å; F105-F109 VanDerWaalsContact O-CE2 3.29Å; F105-F109 WeakPolarHBondContact O-CE2 3.37Å; M106-F109 PolarHBondContact O-N 2.93Å; E107-F109 PolarHBondContact O-N 2.94Å; F109-R111 PolarHBondContact O-N 3.4Å; F109-G112 WeakPolarHBondContact O-CA 3.29Å; F109-G112 PolarHBondContact O-N 2.95Å; F109-V113 HydrophobicContact CB-CG2 3.69Å; F109-V113 HydrophobicContact CD2-CG2 3.43Å; F109-V113 VanDerWaalsContact CD2-CG2 3.43Å; F109-V113 HydrophobicContact CE2-CG2 4.32Å; F109-V113 HydrophobicContact CG-CG2 3.74Å
110P63.2Low67.1Low108 Ų10847.8 Ų47.870%0.70125%0.253SS*.THydrogen-bonded Turntrans-66.1-2.6-174.226.7-36.5000115L108L108-P110 VanDerWaalsContact C-CD 3.5Å; L108-P110 VanDerWaalsContact O-CD 3.28Å; L108-P110 WeakPolarHBondContact O-CD 3.41Å
111R52.5Low65.9Low209 Ų20946 Ų4679%0.78925%0.249SC*.THydrogen-bonded Turntrans-99.89.5170.4-65.6-177.2-68.7-175.30.1112.8F109F109-R111 PolarHBondContact O-N 3.4Å
112G53.9Low64Low14 Ų1454.4 Ų54.414%0.14429%0.289CS..  trans80.1171.4-168.900000112.8F109F109-G112 WeakPolarHBondContact O-CA 3.29Å; F109-G112 PolarHBondContact O-N 2.95Å
113V66.6Low62.5Low1 Ų159.1 Ų59.11%0.00632%0.322CS..  trans-110.2124.3176.2174.90000109.4G39 F41 M106 F109 Y115 S131G39-V113 CarbonylContact O-C 3.5Å; G39-V113 WeakPolarHBondContact O-CA 3.15Å; F41-V113 HydrophobicContact CD2-CG1 3.41Å; F41-V113 VanDerWaalsContact CD2-CG1 3.41Å; F41-V113 HydrophobicContact CE2-CG1 3.62Å; F41-V113 HydrophobicContact CE2-CG2 4.37Å; M106-V113 HydrophobicContact CE-CB 3.99Å; M106-V113 HydrophobicContact CE-CG2 3.98Å; M106-V113 HydrophobicContact SD-CB 4.04Å; M106-V113 HydrophobicContact SD-CG2 3.58Å; M106-V113 VanDerWaalsContact SD-CG2 3.58Å; F109-V113 HydrophobicContact CB-CG2 3.69Å; F109-V113 HydrophobicContact CD2-CG2 3.43Å; F109-V113 VanDerWaalsContact CD2-CG2 3.43Å; F109-V113 HydrophobicContact CE2-CG2 4.32Å; F109-V113 HydrophobicContact CG-CG2 3.74Å; V113-Y115 HydrophobicContact CG1-CD1 4.14Å; V113-Y115 HydrophobicContact CG1-CE1 3.55Å; V113-S131 WeakPolarHBondContact O-CB 3.37Å; V113-S131 PolarHBondContact O-OG 3.5Å
114S62.6Low61.1Low60 Ų6061.9 Ų61.942%0.4235%0.351SS..EExtended strand (participates in β ladder)trans-102.6119.4-179.8580000112G39 A40 F41 K116G39-S114 PolarHBondContact O-N 2.83Å; G39-S114 PolarHBondContact O-OG 2.88Å; A40-S114 CarbonylContact C-O 3.52Å; A40-S114 WeakPolarHBondContact CA-O 3.4Å; A40-S114 WeakPolarHBondContact CA-OG 3.49Å; A40-S114 WeakPolarHBondContact CB-OG 3.33Å; F41-S114 PolarHBondContact N-O 3.01Å; S114-K116 PolarHBondContact O-N 3.33Å
115Y69Low58.9Low43 Ų4369 Ų6917%0.16938%0.381CS..EExtended strand (participates in β ladder)trans-83.497.9173.5-50.6-44.9000110.1F41 W63 Q98 E101 V113 Q117 G130F41-Y115 CarbonylContact O-C 3.52Å; F41-Y115 WeakPolarHBondContact O-CA 3.49Å; W63-Y115 HydrophobicContact CH2-CD1 4.48Å; W63-Y115 AromaticContact CZ2-CD1 3.78Å; W63-Y115 HydrophobicContact CZ2-CD1 3.78Å; W63-Y115 AromaticContact CZ2-CE1 3.82Å; W63-Y115 HydrophobicContact CZ2-CE1 3.82Å; Q98-Y115 HydrophobicContact CG-CD1 4.11Å; Q98-Y115 HydrophobicContact CG-CD2 4.38Å; Q98-Y115 HydrophobicContact CG-CE1 4.18Å; Q98-Y115 HydrophobicContact CG-CE2 4.42Å; Q98-Y115 HydrophobicContact CG-CG 4.25Å; E101-Y115 VanDerWaalsContact CD-OH 3.31Å; E101-Y115 WeakPolarHBondContact OE1-CE1 3.4Å; E101-Y115 PolarHBondContact OE1-OH 3.13Å; E101-Y115 PolarHBondContact OE2-OH 3.33Å; V113-Y115 HydrophobicContact CG1-CD1 4.14Å; V113-Y115 HydrophobicContact CG1-CE1 3.55Å; Y115-Q117 WeakPolarHBondContact O-CG 3.14Å; Y115-G130 WeakPolarHBondContact CE2-O 3.48Å
116K59.5Low56.4Low52 Ų5276.6 Ų76.623%0.22641%0.41CS..EExtended strand (participates in β ladder)trans-68.3128.4170.4-63.1177.7-178.8164.10108E37 A40 F41 Y42 N43 S114E37-K116 IonicContact OE1-NZ 2.67Å; E37-K116 PolarHBondContact OE1-NZ 2.84Å; A40-K116 HydrophobicContact CB-CD 4.27Å; A40-K116 HydrophobicContact CB-CG 4.4Å; F41-K116 PolarHBondContact O-N 3Å; Y42-K116 WeakPolarHBondContact CA-O 3.31Å; Y42-K116 HydrophobicContact CD1-CB 3.3Å; Y42-K116 HydrophobicContact CD1-CD 3.73Å; Y42-K116 HydrophobicContact CD1-CG 4.19Å; Y42-K116 HydrophobicContact CD2-CD 4.27Å; Y42-K116 HydrophobicContact CE1-CB 3.57Å; Y42-K116 HydrophobicContact CE1-CD 3.24Å; Y42-K116 HydrophobicContact CE1-CG 4.05Å; Y42-K116 HydrophobicContact CE2-CD 3.81Å; Y42-K116 HydrophobicContact CG-CB 4Å; Y42-K116 HydrophobicContact CG-CD 4.21Å; Y42-K116 WeakPolarHBondContact OH-CD 3.5Å; Y42-K116 PolarHBondContact OH-NZ 3.31Å; Y42-K116 VanDerWaalsContact OH-NZ 3.08Å; N43-K116 PolarHBondContact N-O 3.29Å; N43-K116 PolarHBondContact OD1-O 2.84Å; S114-K116 PolarHBondContact O-N 3.33Å
117Q52.2Low54.1Low33 Ų3384.4 Ų84.415%0.15444%0.439CS..  trans-109.1-1.4-174.2-54.8-158.8-48.900114.1Y115Y115-Q117 WeakPolarHBondContact O-CG 3.14Å
118E48Very low51.8Low120 Ų12084 Ų8456%0.56145%0.446SS*.SBendtrans-142.9140.1177.4-58.9-167.913400107.4Y42 R126Y42-E118 WeakPolarHBondContact CD1-O 3.46Å; Y42-E118 VanDerWaalsContact CE1-O 3.23Å; Y42-E118 WeakPolarHBondContact CE1-O 3.16Å; E118-R126 IonicContact OE1-CZ 2.98Å; E118-R126 IonicContact OE1-NE 3.99Å; E118-R126 PolarHBondContact OE1-NE 2.93Å; E118-R126 IonicContact OE1-NH2 2.72Å; E118-R126 PolarHBondContact OE1-NH2 3.26Å; E118-R126 IonicContact OE2-NH2 2.92Å
119G50.5Low49.3Very low54 Ų5490.1 Ų90.156%0.55747%0.474SS*.  trans83160.6-151.100000111.1Y42Y42-G119 WeakPolarHBondContact CD1-O 3.32Å
120G47.3Very low46.9Very low28 Ų2892.3 Ų92.329%0.28950%0.498SS..SBendtrans138.9176.7-16200000109.6R24 D45R24-G120 PolarHBondContact NH2-O 2.75Å; D45-G120 WeakPolarHBondContact OD1-CA 3.35Å
121V51.4Low45.4Very low52 Ų5291 Ų9132%0.31549%0.492SS..SBendtrans-77.6136.7152.9-174.60000106.6R24 D45 S123R24-V121 VanDerWaalsContact NH2-N 3.17Å; D45-V121 PolarHBondContact OD1-N 2.8Å; V121-S123 PolarHBondContact O-N 3.44Å; V121-S123 VanDerWaalsContact O-N 3.11Å
122E40.4Very low44.4Very low198 Ų19882.8 Ų82.893%0.92547%0.473SS*.SBendtrans-71.5109.7-152.6-171.1175.4-138.100115.4
123S43.3Very low43.9Very low101 Ų10186.3 Ų86.371%0.70649%0.491SS*.  trans-148.2155.8145.378.70000110.7V121V121-S123 PolarHBondContact O-N 3.44Å; V121-S123 VanDerWaalsContact O-N 3.11Å
124G39.2Very low43.2Very low60 Ų6088.8 Ų88.862%0.61951%0.507SS*.  trans-105.6166.8-153.300000119.2
125F32.5Very low43.6Very low195 Ų19588.7 Ų88.786%0.85550%0.5SS*.  trans86.9141.2170.6-60.1-83.4000118.9K67K67-F125 PolarHBondContact NZ-O 3.16Å
126R32.9Very low43.7Very low160 Ų16087.4 Ų87.460%0.60449%0.494SS*.  trans-76.2-172.7-170.2-64.4167.2179.7160-1.8112.7K67 E118K67-R126 PolarHBondContact NZ-O 2.97Å; E118-R126 IonicContact OE1-CZ 2.98Å; E118-R126 IonicContact OE1-NE 3.99Å; E118-R126 PolarHBondContact OE1-NE 2.93Å; E118-R126 IonicContact OE1-NH2 2.72Å; E118-R126 PolarHBondContact OE1-NH2 3.26Å; E118-R126 IonicContact OE2-NH2 2.92Å
127R28.9Very low45Very low173 Ų17385 Ų8565%0.65348%0.484SS*.  cis-157.9178.6-9.8-130.3-173179.1169.94.7105.1
128S32.8Very low46.4Very low81 Ų8183.7 Ų83.757%0.56648%0.477SS*.  cis-177.3155.9-2.732.20000106.9
129Q30.8Very low48.2Very low144 Ų14479.8 Ų79.867%0.67346%0.459SS*.  cis-174.7143.4-16.1-102.7167-108.500107
130G28.2Very low49.9Very low52 Ų5277.2 Ų77.254%0.53643%0.433SS..  trans174.3145.6172.900000113.9Y115Y115-G130 WeakPolarHBondContact CE2-O 3.48Å
131S30.2Very low51.5Low80 Ų8076.9 Ų76.956%0.55942%0.424SS*.  trans-166.5147.3-179.2159.20000112.5V113V113-S131 WeakPolarHBondContact O-CB 3.37Å; V113-S131 PolarHBondContact O-OG 3.5Å
132G32.2Very low52.5Low38 Ų3874.4 Ų74.439%0.39241%0.409SS..  trans-165.9166.2167.700000112.1M106 V134M106-G132 WeakPolarHBondContact CE-O 3.41Å; G132-V134 PolarHBondContact O-N 3.07Å
133T43.5Very low54Low87 Ų8768.8 Ų68.853%0.53438%0.381SS..  trans-68.3115166.442.20000108.9
134V52.2Low55Low54 Ų5474.5 Ų74.533%0.32739%0.387SS..  trans-84.9125.3-166.7-175.90000111.8P103 M106 G132P103-V134 HydrophobicContact CB-CB 4.18Å; P103-V134 HydrophobicContact CB-CG1 3.8Å; P103-V134 HydrophobicContact CG-CG1 3.77Å; M106-V134 HydrophobicContact CB-CB 3.92Å; M106-V134 HydrophobicContact CB-CG2 3.72Å; M106-V134 HydrophobicContact CE-CG2 3.77Å; M106-V134 HydrophobicContact CG-CB 4.24Å; M106-V134 HydrophobicContact CG-CG2 3.65Å; G132-V134 PolarHBondContact O-N 3.07Å
135Q69.7Low56.2Low58 Ų5873.8 Ų73.827%0.27137%0.369SS..  trans-103155.8163.8-64133.6-16.200108L153 D167 L168Q135-L153 HydrophobicContact CB-CD1 4.11Å; Q135-L153 HydrophobicContact CB-CD2 3.85Å; Q135-D167 WeakPolarHBondContact CA-O 3.41Å; Q135-D167 WeakPolarHBondContact CB-O 3.17Å; Q135-L168 HydrophobicContact CB-CD2 3.81Å; Q135-L168 HydrophobicContact CG-CD2 3.65Å
136R72.5Confident58.2Low16 Ų1665.3 Ų65.36%0.0633%0.333CS..EExtended strand (participates in β ladder)trans-110.3147.5-169.3-22.3-174.1178.6-164.2-5.1111.3P103 E104 E107 Y138 L166 D167P103-R136 HydrophobicContact CB-CG 3.75Å; P103-R136 HydrophobicContact CG-CB 4.29Å; P103-R136 HydrophobicContact CG-CG 3.71Å; E104-R136 VanDerWaalsContact CD-NH2 3.32Å; E104-R136 IonicContact OE1-CZ 3.82Å; E104-R136 IonicContact OE1-NH1 3.37Å; E104-R136 PolarHBondContact OE1-NH1 2.83Å; E104-R136 IonicContact OE1-NH2 3.9Å; E104-R136 PolarHBondContact OE1-NH2 2.87Å; E104-R136 IonicContact OE2-NH1 2.83Å; E104-R136 IonicContact OE2-NH2 2.61Å; E107-R136 IonicContact OE1-CZ 2.76Å; E107-R136 IonicContact OE1-NE 3.65Å; E107-R136 IonicContact OE1-NH2 3.78Å; E107-R136 PolarHBondContact OE1-NH2 3.11Å; R136-Y138 HydrophobicContact CB-CD2 4.49Å; R136-Y138 HydrophobicContact CB-CE2 3.87Å; R136-Y138 VanDerWaalsContact CD-OH 3.23Å; R136-Y138 WeakPolarHBondContact CD-OH 3.33Å; R136-Y138 HydrophobicContact CG-CE2 4.48Å; R136-Y138 PolarHBondContact NH1-OH 2.67Å; R136-L166 CarbonylContact O-C 3.56Å; R136-L166 WeakPolarHBondContact O-CA 3.49Å; R136-L166 WeakPolarHBondContact O-CD1 3.43Å; R136-D167 HydrophobicContact CB-CB 3.98Å; R136-D167 WeakPolarHBondContact CD-OD2 3.29Å; R136-D167 HydrophobicContact CG-CB 3.87Å; R136-D167 IonicContact CZ-OD2 2.76Å; R136-D167 PolarHBondContact N-O 3.08Å; R136-D167 IonicContact NE-OD2 2.73Å; R136-D167 PolarHBondContact NE-OD2 3.21Å; R136-D167 PolarHBondContact O-N 2.69Å
137L85.4Confident60Low1 Ų158.7 Ų58.71%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-124.6119.9167.7-171.964.7000109.7V151 E152 L153 F158 F164 I165 L166L137-V151 HydrophobicContact CB-CG2 4.03Å; L137-V151 HydrophobicContact CD2-CG2 3.8Å; L137-V151 HydrophobicContact CG-CG2 3.7Å; L137-V151 WeakPolarHBondContact O-CG2 3.49Å; L137-V151 PolarHBondContact O-N 2.74Å; L137-E152 WeakPolarHBondContact CD2-O 3.1Å; L137-L153 HydrophobicContact CB-CD1 4.2Å; L137-F158 HydrophobicContact CD1-CE1 4.25Å; L137-F158 HydrophobicContact CD1-CE2 3.74Å; L137-F158 HydrophobicContact CD1-CZ 3.44Å; L137-F158 VanDerWaalsContact CD1-CZ 3.44Å; L137-F158 HydrophobicContact CD2-CD2 3.81Å; L137-F158 HydrophobicContact CD2-CE2 3.33Å; L137-F158 HydrophobicContact CD2-CZ 3.96Å; L137-F158 HydrophobicContact CG-CE2 4.21Å; L137-F158 HydrophobicContact CG-CZ 4.37Å; L137-F164 HydrophobicContact CD1-CB 4.03Å; L137-F164 HydrophobicContact CD1-CD1 4.02Å; L137-F164 HydrophobicContact CD1-CG 4.44Å; L137-F164 HydrophobicContact CD2-CD1 4.24Å; L137-F164 HydrophobicContact CG-CD1 4.09Å; L137-I165 WeakPolarHBondContact CA-O 3.1Å; L137-L166 HydrophobicContact CD1-CB 4.18Å
138Y81.6Confident62.3Low5 Ų550.9 Ų50.92%0.0228%0.28CS..EExtended strand (participates in β ladder)trans-107117.9172-61.7-73.6000109.9R136 K149 E150 F164 I165 I195 I337R136-Y138 HydrophobicContact CB-CD2 4.49Å; R136-Y138 HydrophobicContact CB-CE2 3.87Å; R136-Y138 VanDerWaalsContact CD-OH 3.23Å; R136-Y138 WeakPolarHBondContact CD-OH 3.33Å; R136-Y138 HydrophobicContact CG-CE2 4.48Å; R136-Y138 PolarHBondContact NH1-OH 2.67Å; Y138-K149 CarbonylContact C-O 3.59Å; Y138-K149 WeakPolarHBondContact CA-O 3.32Å; Y138-E150 HydrophobicContact CD1-CB 3.93Å; Y138-E150 HydrophobicContact CD1-CG 4.08Å; Y138-E150 HydrophobicContact CE1-CB 3.72Å; Y138-E150 HydrophobicContact CE1-CG 3.64Å; Y138-E150 WeakPolarHBondContact CE1-OE2 3.5Å; Y138-E150 PolarHBondContact OH-OE2 3.22Å; Y138-F164 CarbonylContact O-C 3.55Å; Y138-F164 VanDerWaalsContact O-CA 3.24Å; Y138-F164 WeakPolarHBondContact O-CA 3.28Å; Y138-I165 HydrophobicContact CD2-CB 4.38Å; Y138-I165 PolarHBondContact N-O 2.68Å; Y138-I165 PolarHBondContact O-N 2.69Å; Y138-I195 HydrophobicContact CE2-CD1 4.47Å; Y138-I337 HydrophobicContact CE1-CD1 4.36Å
139Q86.5Confident64.1Low39 Ų3950.9 Ų50.918%0.18227%0.27CS..EExtended strand (participates in β ladder)trans-76125.4167.5-176.1179.22400109K141 A148 K149 V151 D162 F164Q139-K141 HydrophobicContact CG-CB 4.21Å; Q139-A148 WeakPolarHBondContact O-CA 3.42Å; Q139-K149 PolarHBondContact N-O 3.02Å; Q139-K149 PolarHBondContact O-N 2.68Å; Q139-V151 HydrophobicContact CB-CG1 3.87Å; Q139-V151 HydrophobicContact CB-CG2 4.01Å; Q139-D162 PolarHBondContact NE2-OD2 2.86Å; Q139-F164 HydrophobicContact CB-CD1 4.08Å; Q139-F164 HydrophobicContact CB-CE1 3.7Å; Q139-F164 HydrophobicContact CB-CZ 4.45Å; Q139-F164 HydrophobicContact CG-CD1 4.41Å; Q139-F164 HydrophobicContact CG-CE1 3.7Å; Q139-F164 HydrophobicContact CG-CZ 3.95Å
140I85.6Confident66.2Low0 Ų047.4 Ų47.40%025%0.254CS..EExtended strand (participates in β ladder)trans-104.996.9176.6-49.8-53000107.7I146 R147 A148 C163 I165 K187 V188 I191I140-I146 HydrophobicContact CG2-CG2 3.53Å; I140-R147 WeakPolarHBondContact CA-O 3.36Å; I140-A148 HydrophobicContact CD1-CB 3.53Å; I140-C163 WeakPolarHBondContact CA-O 3.43Å; I140-C163 HydrophobicContact CB-CB 4.08Å; I140-C163 VanDerWaalsContact CB-O 3.31Å; I140-C163 WeakPolarHBondContact CB-O 3.26Å; I140-C163 PolarHBondContact N-O 2.86Å; I140-C163 PolarHBondContact O-N 3.06Å; I140-I165 HydrophobicContact CD1-CD1 3.98Å; I140-I165 HydrophobicContact CD1-CG1 4.14Å; I140-I165 HydrophobicContact CG1-CD1 4.37Å; I140-I165 HydrophobicContact CG1-CG1 4.12Å; I140-K187 HydrophobicContact CG2-CB 4.09Å; I140-K187 HydrophobicContact CG2-CG 4.33Å; I140-V188 HydrophobicContact CG1-CB 4.11Å; I140-V188 HydrophobicContact CG1-CG2 4.02Å; I140-V188 HydrophobicContact CG2-CB 4.43Å; I140-I191 HydrophobicContact CD1-CD1 4.36Å
141K80.8Confident68.5Low21 Ų2146.6 Ų46.69%0.09124%0.238CC..EExtended strand (participates in β ladder)trans-131.1137.6-173.8-168.4175-169.253.40113.5Q139 I146 R147 D162 E184 S231 E235 D236 A239 N243Q139-K141 HydrophobicContact CG-CB 4.21Å; K141-I146 WeakPolarHBondContact O-CA 3.37Å; K141-R147 PolarHBondContact N-O 2.56Å; K141-R147 PolarHBondContact O-N 3.36Å; K141-D162 VanDerWaalsContact CD-OD2 3.32Å; K141-D162 WeakPolarHBondContact CD-OD2 3.34Å; K141-D162 IonicContact NZ-OD1 3.48Å; K141-D162 PolarHBondContact NZ-OD1 3.29Å; K141-D162 IonicContact NZ-OD2 2.66Å; K141-D162 PolarHBondContact NZ-OD2 2.71Å; K141-E184 WeakPolarHBondContact CA-OE1 3.45Å; K141-S231 PolarHBondContact NZ-OG 2.78Å; K141-E235 VanDerWaalsContact CE-C 3.48Å; K141-D236 IonicContact NZ-OD1 2.85Å; K141-D236 PolarHBondContact NZ-OD1 2.85Å; K141-A239 HydrophobicContact CB-CB 4.48Å; K141-A239 HydrophobicContact CD-CB 3.95Å; K141-A239 HydrophobicContact CG-CB 3.9Å; K141-N243 PolarHBondContact O-ND2 3.07Å
142G73.8Confident70.6Confident0 Ų049.1 Ų49.10%024%0.241CC..  trans158.7159.516600000114.2I146 N181 E184G142-I146 WeakPolarHBondContact O-CG1 3.42Å; G142-N181 PolarHBondContact O-ND2 3.42Å; G142-E184 PolarHBondContact N-OE1 3.05Å
143K70.6Confident72.8Confident79 Ų7949.8 Ų49.834%0.34324%0.235SC..SBendtrans-95.2-33.3-178.6-150.7167.7-165.9161.50112.5S233 D236 S237 D240K143-S233 VanDerWaalsContact NZ-CB 3.35Å; K143-S233 PolarHBondContact NZ-O 3.41Å; K143-S233 PolarHBondContact NZ-OG 2.95Å; K143-D236 HydrophobicContact CB-CB 3.87Å; K143-D236 HydrophobicContact CD-CB 4.35Å; K143-D236 HydrophobicContact CG-CB 4.34Å; K143-S237 WeakPolarHBondContact CD-OG 3.29Å; K143-S237 PolarHBondContact NZ-OG 3.38Å; K143-D240 PolarHBondContact N-OD1 3.09Å
144R65.9Low74.7Confident222 Ų22247.5 Ų47.584%0.83822%0.221SC*.SBendtrans-140.7-30.1177.4-57.4179.3175.6174.9-1.4112.2D240R144-D240 WeakPolarHBondContact CA-OD2 3.3Å; R144-D240 VanDerWaalsContact CB-OD2 3.28Å; R144-D240 WeakPolarHBondContact CB-OD2 3.36Å; R144-D240 PolarHBondContact N-OD1 3.06Å; R144-D240 PolarHBondContact N-OD2 2.94Å
145N63.5Low76.5Confident45 Ų4545.9 Ų45.924%0.24121%0.209CC..SBendtrans-113.459.1-178.6-60.7-42.6000110.3R147 D240 N243N145-R147 PolarHBondContact O-N 3.19Å; N145-D240 PolarHBondContact N-OD1 2.87Å; N145-D240 PolarHBondContact ND2-O 3.13Å; N145-N243 HydrophobicContact CB-CB 4.39Å; N145-N243 WeakPolarHBondContact O-CB 3.18Å; N145-N243 PolarHBondContact O-ND2 2.86Å
146I74.8Confident77.4Confident17 Ų1748.2 Ų48.29%0.08723%0.232CC..  trans-63.3133.3-177.7-61.5155.6000110.9I140 K141 G142 F183 E184 K187I140-I146 HydrophobicContact CG2-CG2 3.53Å; K141-I146 WeakPolarHBondContact O-CA 3.37Å; G142-I146 WeakPolarHBondContact O-CG1 3.42Å; I146-F183 HydrophobicContact CD1-CB 3.39Å; I146-E184 HydrophobicContact CD1-CG 3.87Å; I146-E184 HydrophobicContact CG1-CG 4.01Å; I146-E184 HydrophobicContact CG2-CG 4.23Å; I146-K187 HydrophobicContact CB-CB 4.44Å; I146-K187 HydrophobicContact CB-CG 4.16Å; I146-K187 HydrophobicContact CD1-CB 4.48Å; I146-K187 HydrophobicContact CG2-CB 3.84Å; I146-K187 HydrophobicContact CG2-CG 3.64Å
147R71.5Confident78.1Confident20 Ų2048.5 Ų48.58%0.07524%0.237CC..EExtended strand (participates in β ladder)trans-127.6150.3175.7-68.1-68.9171.3-1455.6110.7I140 K141 N145 N243 S266 Q340I140-R147 WeakPolarHBondContact CA-O 3.36Å; K141-R147 PolarHBondContact N-O 2.56Å; K141-R147 PolarHBondContact O-N 3.36Å; N145-R147 PolarHBondContact O-N 3.19Å; R147-N243 HydrophobicContact CB-CB 4.44Å; R147-N243 HydrophobicContact CG-CB 3.56Å; R147-S266 PolarHBondContact NH2-OG 3.32Å; R147-Q340 PolarHBondContact NH1-O 3.31Å
148A75.9Confident78.5Confident10 Ų1048.8 Ų48.88%0.08324%0.238CC..EExtended strand (participates in β ladder)trans-81125.2155.600000108.9Q139 I140 I191Q139-A148 WeakPolarHBondContact O-CA 3.42Å; I140-A148 HydrophobicContact CD1-CB 3.53Å; A148-I191 HydrophobicContact CB-CD1 3.8Å; A148-I191 HydrophobicContact CB-CG2 4.39Å
149K72Confident79Confident81 Ų8149.4 Ų49.435%0.35224%0.241SC..EExtended strand (participates in β ladder)trans-121.3128.6171.7176.4170.2-178.9165.20109.2Y138 Q139 V151 N286Y138-K149 CarbonylContact C-O 3.59Å; Y138-K149 WeakPolarHBondContact CA-O 3.32Å; Q139-K149 PolarHBondContact N-O 3.02Å; Q139-K149 PolarHBondContact O-N 2.68Å; K149-V151 HydrophobicContact CG-CG1 4.4Å; K149-N286 WeakPolarHBondContact CE-OD1 3.26Å; K149-N286 PolarHBondContact NZ-OD1 3Å
150E74.5Confident79.3Confident71 Ų7149.9 Ų49.933%0.33224%0.243SC..EExtended strand (participates in β ladder)trans-69.2133.7173.8-153.5163.1139.200109.9P103 Y138P103-E150 WeakPolarHBondContact CD-OE1 3.32Å; Y138-E150 HydrophobicContact CD1-CB 3.93Å; Y138-E150 HydrophobicContact CD1-CG 4.08Å; Y138-E150 HydrophobicContact CE1-CB 3.72Å; Y138-E150 HydrophobicContact CE1-CG 3.64Å; Y138-E150 WeakPolarHBondContact CE1-OE2 3.5Å; Y138-E150 PolarHBondContact OH-OE2 3.22Å
151V75.8Confident79.6Confident34 Ų3450.2 Ų50.221%0.20625%0.246CC..EExtended strand (participates in β ladder)trans-136.9167.8-175.8-68.20000110.2L137 Q139 K149L137-V151 HydrophobicContact CB-CG2 4.03Å; L137-V151 HydrophobicContact CD2-CG2 3.8Å; L137-V151 HydrophobicContact CG-CG2 3.7Å; L137-V151 WeakPolarHBondContact O-CG2 3.49Å; L137-V151 PolarHBondContact O-N 2.74Å; Q139-V151 HydrophobicContact CB-CG1 3.87Å; Q139-V151 HydrophobicContact CB-CG2 4.01Å; K149-V151 HydrophobicContact CG-CG1 4.4Å
152E74.4Confident80.1Confident134 Ų13449.2 Ų49.263%0.62624%0.242SC*.  trans-63.6136.6-177.9-162.7-174.7146.800111.2L137 T154 S157L137-E152 WeakPolarHBondContact CD2-O 3.1Å; E152-T154 HydrophobicContact CG-CG2 4.11Å; E152-T154 PolarHBondContact O-N 3.26Å; E152-T154 WeakPolarHBondContact OE1-CG2 3.48Å; E152-S157 PolarHBondContact N-OG 3.27Å; E152-S157 VanDerWaalsContact O-CB 3.29Å; E152-S157 WeakPolarHBondContact O-CB 3.39Å; E152-S157 PolarHBondContact O-OG 3.43Å
153L79.3Confident81Confident51 Ų5149.2 Ų49.227%0.26724%0.242SC..SBendtrans-7361.2-179.9-172.377.4000111.7Q135 L137 L166 V221 L222Q135-L153 HydrophobicContact CB-CD1 4.11Å; Q135-L153 HydrophobicContact CB-CD2 3.85Å; L137-L153 HydrophobicContact CB-CD1 4.2Å; L153-L166 HydrophobicContact CD1-CD1 3.51Å; L153-V221 HydrophobicContact CD1-CG1 4.29Å; L153-V221 HydrophobicContact CD2-CG1 4.02Å; L153-V221 HydrophobicContact CG-CG1 4.32Å; L153-L222 HydrophobicContact CD1-CD2 4.15Å; L153-L222 HydrophobicContact CG-CD2 4.08Å
154T83.4Confident82.1Confident39 Ų3945.4 Ų45.424%0.23923%0.226CC..SBendtrans-144.1151.7-176.755.70000111.1E152 S156 S157E152-T154 HydrophobicContact CG-CG2 4.11Å; E152-T154 PolarHBondContact O-N 3.26Å; E152-T154 WeakPolarHBondContact OE1-CG2 3.48Å; T154-S156 WeakPolarHBondContact CB-OG 3.39Å; T154-S156 PolarHBondContact O-N 3.35Å; T154-S156 VanDerWaalsContact O-N 3.09Å; T154-S156 PolarHBondContact OG1-OG 2.82Å; T154-S157 WeakPolarHBondContact O-CB 3.17Å; T154-S157 PolarHBondContact O-N 3.38Å
155W88.9Confident83.4Confident21 Ų2134.9 Ų34.98%0.0819%0.186CC..G310 helixtrans-58.5-21.4175.4-77.2122.2000113.9S157 F158 E214 M218 L219 L222 G223 P224 M225 P226 L228W155-S157 PolarHBondContact O-N 2.83Å; W155-F158 HydrophobicContact CD2-CD2 4.46Å; W155-F158 HydrophobicContact CE3-CB 3.97Å; W155-F158 HydrophobicContact CE3-CD1 4.21Å; W155-F158 AromaticContact CE3-CD2 3.6Å; W155-F158 HydrophobicContact CE3-CD2 3.6Å; W155-F158 HydrophobicContact CE3-CE2 4.03Å; W155-F158 AromaticContact CE3-CG 3.68Å; W155-F158 HydrophobicContact CE3-CG 3.68Å; W155-F158 HydrophobicContact CZ3-CB 4.39Å; W155-F158 AromaticContact CZ3-CD1 3.89Å; W155-F158 HydrophobicContact CZ3-CD1 3.89Å; W155-F158 HydrophobicContact CZ3-CD2 4.02Å; W155-F158 HydrophobicContact CZ3-CE1 4.07Å; W155-F158 HydrophobicContact CZ3-CE2 4.17Å; W155-F158 AromaticContact CZ3-CG 3.85Å; W155-F158 HydrophobicContact CZ3-CG 3.85Å; W155-F158 HydrophobicContact CZ3-CZ 4.2Å; W155-F158 WeakPolarHBondContact O-CB 3.46Å; W155-F158 PolarHBondContact O-N 3.21Å; W155-F158 VanDerWaalsContact O-N 3.13Å; W155-E214 HydrophobicContact CH2-CG 4.03Å; W155-M218 HydrophobicContact CH2-CE 3.68Å; W155-M218 HydrophobicContact CH2-SD 4.44Å; W155-M218 HydrophobicContact CZ3-CE 4.05Å; W155-L219 HydrophobicContact CZ2-CD2 4.13Å; W155-L222 HydrophobicContact CD2-CB 4.14Å; W155-L222 HydrophobicContact CD2-CD1 4.17Å; W155-L222 HydrophobicContact CE3-CD1 4.26Å; W155-L222 HydrophobicContact CG-CB 4.31Å; W155-L222 HydrophobicContact CH2-CD1 3.92Å; W155-L222 HydrophobicContact CZ2-CB 3.94Å; W155-L222 HydrophobicContact CZ2-CD1 3.79Å; W155-L222 HydrophobicContact CZ3-CD1 4.14Å; W155-L222 VanDerWaalsContact NE1-CB 3.33Å; W155-L222 PolarHBondContact NE1-O 2.81Å; W155-G223 PolarHBondContact NE1-O 2.87Å; W155-P224 PolarHBondContact NE1-O 2.87Å; W155-M225 HydrophobicContact CD2-CB 4.48Å; W155-M225 HydrophobicContact CD2-CG 4.32Å; W155-M225 HydrophobicContact CE3-CG 4.16Å; W155-M225 HydrophobicContact CH2-CB 3.96Å; W155-M225 HydrophobicContact CH2-CG 3.89Å; W155-M225 HydrophobicContact CH2-SD 3.86Å; W155-M225 HydrophobicContact CZ2-CB 3.68Å; W155-M225 HydrophobicContact CZ2-CG 4.06Å; W155-M225 HydrophobicContact CZ3-CB 4.48Å; W155-M225 HydrophobicContact CZ3-CG 3.95Å; W155-M225 HydrophobicContact CZ3-SD 3.89Å; W155-P226 HydrophobicContact CB-CG 3.61Å; W155-P226 HydrophobicContact CG-CG 4.01Å; W155-L228 HydrophobicContact CE3-CD2 3.87Å; W155-L228 HydrophobicContact CZ3-CD2 4.43Å
156S88.3Confident84.6Confident106 Ų10632.7 Ų32.774%0.74117%0.174SC*.G310 helixtrans-67.6-16.9172.529.60000114.7T154T154-S156 WeakPolarHBondContact CB-OG 3.39Å; T154-S156 PolarHBondContact O-N 3.35Å; T154-S156 VanDerWaalsContact O-N 3.09Å; T154-S156 PolarHBondContact OG1-OG 2.82Å
157S87.3Confident85Confident23 Ų2332 Ų3216%0.16117%0.171CC..G310 helixtrans-81.9-20.9170.4-66.20000112.8E152 T154 W155 F164E152-S157 PolarHBondContact N-OG 3.27Å; E152-S157 VanDerWaalsContact O-CB 3.29Å; E152-S157 WeakPolarHBondContact O-CB 3.39Å; E152-S157 PolarHBondContact O-OG 3.43Å; T154-S157 WeakPolarHBondContact O-CB 3.17Å; T154-S157 PolarHBondContact O-N 3.38Å; W155-S157 PolarHBondContact O-N 2.83Å; S157-F164 WeakPolarHBondContact O-CE1 3.24Å; S157-F164 WeakPolarHBondContact O-CZ 3.05Å
158F93.4Very high85.6Confident6 Ų633 Ų333%0.02618%0.177CC..  trans-82.1148-177.7-76.4-101.2000112.4L137 W155 F164 W175 M218 L222 L228L137-F158 HydrophobicContact CD1-CE1 4.25Å; L137-F158 HydrophobicContact CD1-CE2 3.74Å; L137-F158 HydrophobicContact CD1-CZ 3.44Å; L137-F158 VanDerWaalsContact CD1-CZ 3.44Å; L137-F158 HydrophobicContact CD2-CD2 3.81Å; L137-F158 HydrophobicContact CD2-CE2 3.33Å; L137-F158 HydrophobicContact CD2-CZ 3.96Å; L137-F158 HydrophobicContact CG-CE2 4.21Å; L137-F158 HydrophobicContact CG-CZ 4.37Å; W155-F158 HydrophobicContact CD2-CD2 4.46Å; W155-F158 HydrophobicContact CE3-CB 3.97Å; W155-F158 HydrophobicContact CE3-CD1 4.21Å; W155-F158 AromaticContact CE3-CD2 3.6Å; W155-F158 HydrophobicContact CE3-CD2 3.6Å; W155-F158 HydrophobicContact CE3-CE2 4.03Å; W155-F158 AromaticContact CE3-CG 3.68Å; W155-F158 HydrophobicContact CE3-CG 3.68Å; W155-F158 HydrophobicContact CZ3-CB 4.39Å; W155-F158 AromaticContact CZ3-CD1 3.89Å; W155-F158 HydrophobicContact CZ3-CD1 3.89Å; W155-F158 HydrophobicContact CZ3-CD2 4.02Å; W155-F158 HydrophobicContact CZ3-CE1 4.07Å; W155-F158 HydrophobicContact CZ3-CE2 4.17Å; W155-F158 AromaticContact CZ3-CG 3.85Å; W155-F158 HydrophobicContact CZ3-CG 3.85Å; W155-F158 HydrophobicContact CZ3-CZ 4.2Å; W155-F158 WeakPolarHBondContact O-CB 3.46Å; W155-F158 PolarHBondContact O-N 3.21Å; W155-F158 VanDerWaalsContact O-N 3.13Å; F158-F164 HydrophobicContact CD1-CB 4.36Å; F158-F164 HydrophobicContact CD1-CD1 4.32Å; F158-F164 AromaticContact CD1-CD2 3.82Å; F158-F164 HydrophobicContact CD1-CD2 3.82Å; F158-F164 HydrophobicContact CD1-CE2 4.16Å; F158-F164 AromaticContact CD1-CG 3.91Å; F158-F164 HydrophobicContact CD1-CG 3.91Å; F158-F164 HydrophobicContact CE1-CB 3.83Å; F158-F164 HydrophobicContact CE1-CD1 4.37Å; F158-F164 HydrophobicContact CE1-CD2 4.16Å; F158-F164 AromaticContact CE1-CG 3.87Å; F158-F164 HydrophobicContact CE1-CG 3.87Å; F158-F164 HydrophobicContact CZ-CB 4.42Å; F158-W175 HydrophobicContact CD1-CD2 4.02Å; F158-W175 AromaticContact CD1-CE3 3.76Å; F158-W175 HydrophobicContact CD1-CE3 3.76Å; F158-W175 HydrophobicContact CD1-CH2 4.18Å; F158-W175 HydrophobicContact CD1-CZ2 4.42Å; F158-W175 AromaticContact CD1-CZ3 3.84Å; F158-W175 HydrophobicContact CD1-CZ3 3.84Å; F158-W175 HydrophobicContact CE1-CB 4.37Å; F158-W175 AromaticContact CE1-CD2 3.87Å; F158-W175 HydrophobicContact CE1-CD2 3.87Å; F158-W175 AromaticContact CE1-CE3 3.88Å; F158-W175 HydrophobicContact CE1-CE3 3.88Å; F158-W175 HydrophobicContact CE1-CG 4.11Å; F158-W175 HydrophobicContact CE1-CZ3 4.44Å; F158-M218 HydrophobicContact CE1-CE 3.53Å; F158-M218 HydrophobicContact CE2-CE 4.45Å; F158-M218 HydrophobicContact CZ-CE 3.43Å; F158-M218 VanDerWaalsContact CZ-CE 3.43Å; F158-L222 HydrophobicContact CD2-CD1 4.46Å; F158-L222 HydrophobicContact CE2-CD1 3.45Å; F158-L222 VanDerWaalsContact CE2-CD1 3.45Å; F158-L222 HydrophobicContact CE2-CD2 4.25Å; F158-L222 HydrophobicContact CZ-CD1 3.61Å; F158-L228 HydrophobicContact CB-CD1 4.15Å; F158-L228 HydrophobicContact CB-CD2 3.81Å
159N92.4Very high85.8Confident18 Ų1833.5 Ų33.510%0.09618%0.183CC..BIsolated β-bridgetrans-148.816617169.171000109.6G161 D162 W175 A229 S231N159-G161 PolarHBondContact OD1-N 3.38Å; N159-D162 PolarHBondContact ND2-OD2 2.83Å; N159-D162 PolarHBondContact OD1-N 3.37Å; N159-D162 VanDerWaalsContact OD1-N 3.12Å; N159-D162 PolarHBondContact OD1-OD1 2.88Å; N159-D162 VanDerWaalsContact OD1-OD1 3.07Å; N159-W175 WeakPolarHBondContact O-CZ3 3.37Å; N159-A229 CarbonylContact C-O 3.49Å; N159-A229 WeakPolarHBondContact CA-O 3.24Å; N159-A229 WeakPolarHBondContact CB-O 3.3Å; N159-S231 VanDerWaalsContact CG-CB 3.48Å; N159-S231 WeakPolarHBondContact OD1-CB 3.37Å; N159-S231 PolarHBondContact OD1-OG 3.42Å
160K93.1Very high86.2Confident49 Ų4937.7 Ų37.721%0.21320%0.204CC..THydrogen-bonded Turntrans-75-21.1-175.4-61175.7176.6-81.50114.4G177 S178 Q179 A180 E211 L228 A229 E230K160-G177 CarbonylContact O-C 3.53Å; K160-G177 VanDerWaalsContact O-CA 3.25Å; K160-G177 WeakPolarHBondContact O-CA 3.34Å; K160-S178 PolarHBondContact O-N 3.25Å; K160-Q179 HydrophobicContact CB-CB 4.38Å; K160-Q179 HydrophobicContact CB-CG 4.09Å; K160-Q179 WeakPolarHBondContact O-CA 3.47Å; K160-Q179 WeakPolarHBondContact O-CB 3.35Å; K160-Q179 PolarHBondContact O-N 3.16Å; K160-A180 PolarHBondContact O-N 2.73Å; K160-E211 WeakPolarHBondContact CG-OE2 3.33Å; K160-E211 IonicContact NZ-OE1 3.9Å; K160-E211 PolarHBondContact NZ-OE1 3.41Å; K160-L228 VanDerWaalsContact CE-O 3.23Å; K160-L228 WeakPolarHBondContact CE-O 3.47Å; K160-L228 HydrophobicContact CG-CB 4.05Å; K160-A229 WeakPolarHBondContact CG-O 3.45Å; K160-A229 PolarHBondContact N-O 3.23Å; K160-E230 HydrophobicContact CD-CG 4.35Å
161G91.1Very high86.8Confident7 Ų735 Ų357%0.07219%0.192CC..THydrogen-bonded Turntrans-97.61.3-169.500000115.4N159 A180N159-G161 PolarHBondContact OD1-N 3.38Å; G161-A180 VanDerWaalsContact O-CA 3.28Å; G161-A180 WeakPolarHBondContact O-CA 3.4Å
162D92.1Very high87.5Confident0 Ų033.3 Ų33.30%018%0.182CC..SBendtrans-125.2165.9-176.5-53.72.4000111Q139 K141 N159 F164 G177 A180 S231Q139-D162 PolarHBondContact NE2-OD2 2.86Å; K141-D162 VanDerWaalsContact CD-OD2 3.32Å; K141-D162 WeakPolarHBondContact CD-OD2 3.34Å; K141-D162 IonicContact NZ-OD1 3.48Å; K141-D162 PolarHBondContact NZ-OD1 3.29Å; K141-D162 IonicContact NZ-OD2 2.66Å; K141-D162 PolarHBondContact NZ-OD2 2.71Å; N159-D162 PolarHBondContact ND2-OD2 2.83Å; N159-D162 PolarHBondContact OD1-N 3.37Å; N159-D162 VanDerWaalsContact OD1-N 3.12Å; N159-D162 PolarHBondContact OD1-OD1 2.88Å; N159-D162 VanDerWaalsContact OD1-OD1 3.07Å; D162-F164 HydrophobicContact CB-CD2 4.45Å; D162-F164 HydrophobicContact CB-CE2 3.73Å; D162-F164 HydrophobicContact CB-CZ 4.15Å; D162-G177 PolarHBondContact O-N 3.18Å; D162-A180 VanDerWaalsContact C-CB 3.5Å; D162-A180 WeakPolarHBondContact O-CB 3.42Å; D162-S231 PolarHBondContact OD1-OG 2.78Å
163C93.4Very high88.4Confident0 Ų027 Ų270%015%0.152CC..EExtended strand (participates in β ladder)trans-101.4155.8167.3-62.20000110.3I140 E184 V188I140-C163 WeakPolarHBondContact CA-O 3.43Å; I140-C163 HydrophobicContact CB-CB 4.08Å; I140-C163 VanDerWaalsContact CB-O 3.31Å; I140-C163 WeakPolarHBondContact CB-O 3.26Å; I140-C163 PolarHBondContact N-O 2.86Å; I140-C163 PolarHBondContact O-N 3.06Å; C163-E184 HydrophobicContact CB-CB 4.29Å; C163-V188 HydrophobicContact CB-CB 3.77Å; C163-V188 HydrophobicContact CB-CG1 4.02Å; C163-V188 HydrophobicContact CB-CG2 4Å
164F93.6Very high89.2Confident0 Ų024.5 Ų24.50%014%0.14CC..EExtended strand (participates in β ladder)trans-137.2147.7-178.1-68.4-97.6000111.2L137 Y138 Q139 S157 F158 D162 S174 W175L137-F164 HydrophobicContact CD1-CB 4.03Å; L137-F164 HydrophobicContact CD1-CD1 4.02Å; L137-F164 HydrophobicContact CD1-CG 4.44Å; L137-F164 HydrophobicContact CD2-CD1 4.24Å; L137-F164 HydrophobicContact CG-CD1 4.09Å; Y138-F164 CarbonylContact O-C 3.55Å; Y138-F164 VanDerWaalsContact O-CA 3.24Å; Y138-F164 WeakPolarHBondContact O-CA 3.28Å; Q139-F164 HydrophobicContact CB-CD1 4.08Å; Q139-F164 HydrophobicContact CB-CE1 3.7Å; Q139-F164 HydrophobicContact CB-CZ 4.45Å; Q139-F164 HydrophobicContact CG-CD1 4.41Å; Q139-F164 HydrophobicContact CG-CE1 3.7Å; Q139-F164 HydrophobicContact CG-CZ 3.95Å; S157-F164 WeakPolarHBondContact O-CE1 3.24Å; S157-F164 WeakPolarHBondContact O-CZ 3.05Å; F158-F164 HydrophobicContact CD1-CB 4.36Å; F158-F164 HydrophobicContact CD1-CD1 4.32Å; F158-F164 AromaticContact CD1-CD2 3.82Å; F158-F164 HydrophobicContact CD1-CD2 3.82Å; F158-F164 HydrophobicContact CD1-CE2 4.16Å; F158-F164 AromaticContact CD1-CG 3.91Å; F158-F164 HydrophobicContact CD1-CG 3.91Å; F158-F164 HydrophobicContact CE1-CB 3.83Å; F158-F164 HydrophobicContact CE1-CD1 4.37Å; F158-F164 HydrophobicContact CE1-CD2 4.16Å; F158-F164 AromaticContact CE1-CG 3.87Å; F158-F164 HydrophobicContact CE1-CG 3.87Å; F158-F164 HydrophobicContact CZ-CB 4.42Å; D162-F164 HydrophobicContact CB-CD2 4.45Å; D162-F164 HydrophobicContact CB-CE2 3.73Å; D162-F164 HydrophobicContact CB-CZ 4.15Å; F164-S174 CarbonylContact O-C 3.59Å; F164-W175 HydrophobicContact CB-CE3 4.31Å; F164-W175 AromaticContact CD2-CE3 3.64Å; F164-W175 HydrophobicContact CD2-CE3 3.64Å; F164-W175 AromaticContact CD2-CZ3 3.7Å; F164-W175 HydrophobicContact CD2-CZ3 3.7Å; F164-W175 HydrophobicContact CE2-CE3 4.46Å; F164-W175 HydrophobicContact CE2-CZ3 4.07Å; F164-W175 HydrophobicContact CG-CE3 4.38Å; F164-W175 PolarHBondContact N-O 2.86Å; F164-W175 PolarHBondContact O-N 3.49Å
165I91.8Very high89.8Confident0 Ų022.7 Ų22.70%013%0.128CC..EExtended strand (participates in β ladder)trans-113.7111.6168.2-53.4176.2000107.7L137 Y138 I140 I172 L173 V188 I191 A192 I195L137-I165 WeakPolarHBondContact CA-O 3.1Å; Y138-I165 HydrophobicContact CD2-CB 4.38Å; Y138-I165 PolarHBondContact N-O 2.68Å; Y138-I165 PolarHBondContact O-N 2.69Å; I140-I165 HydrophobicContact CD1-CD1 3.98Å; I140-I165 HydrophobicContact CD1-CG1 4.14Å; I140-I165 HydrophobicContact CG1-CD1 4.37Å; I140-I165 HydrophobicContact CG1-CG1 4.12Å; I165-I172 HydrophobicContact CG2-CG2 3.53Å; I165-L173 WeakPolarHBondContact CA-O 3.48Å; I165-V188 HydrophobicContact CD1-CG2 4.28Å; I165-V188 HydrophobicContact CG1-CG2 3.6Å; I165-I191 HydrophobicContact CD1-CB 3.82Å; I165-I191 HydrophobicContact CD1-CG2 3.6Å; I165-A192 HydrophobicContact CD1-CB 4.14Å; I165-I195 HydrophobicContact CD1-CD1 4.38Å
166L90.3Very high90.1Very high0 Ų022.6 Ų22.60%013%0.13CC..EExtended strand (participates in β ladder)trans-93110.3168.9167.356000108.5R136 L137 L153 L168 L173 M218 V221 L222R136-L166 CarbonylContact O-C 3.56Å; R136-L166 WeakPolarHBondContact O-CA 3.49Å; R136-L166 WeakPolarHBondContact O-CD1 3.43Å; L137-L166 HydrophobicContact CD1-CB 4.18Å; L153-L166 HydrophobicContact CD1-CD1 3.51Å; L166-L168 HydrophobicContact CD1-CD2 3.6Å; L166-L168 HydrophobicContact CD1-CG 4.5Å; L166-L168 HydrophobicContact CD2-CD2 4.31Å; L166-L168 HydrophobicContact CG-CD2 3.79Å; L166-L168 HydrophobicContact CG-CG 4.25Å; L166-L173 HydrophobicContact CB-CB 4.14Å; L166-L173 HydrophobicContact CD2-CD1 3.95Å; L166-L173 HydrophobicContact CG-CD1 4.22Å; L166-L173 PolarHBondContact N-O 2.86Å; L166-L173 PolarHBondContact O-N 2.87Å; L166-M218 HydrophobicContact CD2-CB 4.24Å; L166-M218 HydrophobicContact CD2-CE 4.25Å; L166-M218 HydrophobicContact CD2-CG 3.7Å; L166-M218 HydrophobicContact CD2-SD 4.39Å; L166-V221 HydrophobicContact CD1-CG1 4.44Å; L166-L222 HydrophobicContact CD2-CD1 4.03Å; L166-L222 HydrophobicContact CD2-CG 4.31Å
167D83.4Confident90.4Very high2 Ų217.6 Ų17.61%0.01110%0.095CC..EExtended strand (participates in β ladder)trans-100.8117.5-176178.713.9000111.2Q135 R136 G169 R200Q135-D167 WeakPolarHBondContact CA-O 3.41Å; Q135-D167 WeakPolarHBondContact CB-O 3.17Å; R136-D167 HydrophobicContact CB-CB 3.98Å; R136-D167 WeakPolarHBondContact CD-OD2 3.29Å; R136-D167 HydrophobicContact CG-CB 3.87Å; R136-D167 IonicContact CZ-OD2 2.76Å; R136-D167 PolarHBondContact N-O 3.08Å; R136-D167 IonicContact NE-OD2 2.73Å; R136-D167 PolarHBondContact NE-OD2 3.21Å; R136-D167 PolarHBondContact O-N 2.69Å; D167-G169 PolarHBondContact OD1-N 3.42Å; D167-R200 IonicContact OD1-CZ 2.69Å; D167-R200 IonicContact OD1-NH1 2.79Å; D167-R200 PolarHBondContact OD1-NH1 2.79Å; D167-R200 IonicContact OD1-NH2 2.68Å; D167-R200 PolarHBondContact OD1-NH2 3.07Å; D167-R200 IonicContact OD2-CZ 3.22Å; D167-R200 IonicContact OD2-NH1 3.36Å; D167-R200 PolarHBondContact OD2-NH1 2.72Å; D167-R200 IonicContact OD2-NH2 3Å; D167-R200 PolarHBondContact OD2-NH2 3.26Å
168L83.1Confident90.7Very high42 Ų4219.9 Ų19.922%0.2211%0.111CC..  trans-112.119-177.7-47.9-178.8000112.4Q135 L166 E170 T171 L173 E217 V221Q135-L168 HydrophobicContact CB-CD2 3.81Å; Q135-L168 HydrophobicContact CG-CD2 3.65Å; L166-L168 HydrophobicContact CD1-CD2 3.6Å; L166-L168 HydrophobicContact CD1-CG 4.5Å; L166-L168 HydrophobicContact CD2-CD2 4.31Å; L166-L168 HydrophobicContact CG-CD2 3.79Å; L166-L168 HydrophobicContact CG-CG 4.25Å; L168-E170 PolarHBondContact O-N 2.97Å; L168-T171 CarbonylContact C-O 3.58Å; L168-T171 WeakPolarHBondContact CA-O 3.49Å; L168-T171 VanDerWaalsContact CB-O 3.3Å; L168-T171 WeakPolarHBondContact CB-O 3.23Å; L168-T171 PolarHBondContact N-O 3.04Å; L168-L173 HydrophobicContact CD1-CD1 3.75Å; L168-L173 HydrophobicContact CD1-CG 4.27Å; L168-L173 HydrophobicContact CG-CD1 4.45Å; L168-E217 HydrophobicContact CD1-CB 4.38Å; L168-V221 HydrophobicContact CD2-CG1 4.45Å; L168-V221 HydrophobicContact CD2-CG2 3.97Å
169G79.5Confident90.6Very high19 Ų1923.9 Ų23.920%0.19613%0.13CC..SBendtrans82.1-82.917900000112.8D167 T171 R200D167-G169 PolarHBondContact OD1-N 3.42Å; G169-T171 VanDerWaalsContact C-N 3.3Å; G169-R200 WeakPolarHBondContact O-CD 3.5Å; G169-R200 PolarHBondContact O-NH1 2.88Å
170E80.8Confident90.5Very high169 Ų16923.3 Ų23.379%0.7913%0.128SC*.SBendtrans-75.8-19.7177.9-63-169.3154.400112.8L168 A204 R205L168-E170 PolarHBondContact O-N 2.97Å; E170-A204 WeakPolarHBondContact O-CA 3.14Å; E170-R205 PolarHBondContact O-N 3.48Å
171T87.8Confident90.2Very high14 Ų1422.7 Ų22.79%0.08613%0.127CC..EExtended strand (participates in β ladder)trans-130137.5177.1-62.70000110.2L168 G169 L173 R205 V207L168-T171 CarbonylContact C-O 3.58Å; L168-T171 WeakPolarHBondContact CA-O 3.49Å; L168-T171 VanDerWaalsContact CB-O 3.3Å; L168-T171 WeakPolarHBondContact CB-O 3.23Å; L168-T171 PolarHBondContact N-O 3.04Å; G169-T171 VanDerWaalsContact C-N 3.3Å; T171-L173 HydrophobicContact CG2-CD2 3.54Å; T171-L173 HydrophobicContact CG2-CG 4.11Å; T171-R205 CarbonylContact C-O 3.4Å; T171-R205 WeakPolarHBondContact CA-O 3.48Å; T171-R205 VanDerWaalsContact CG2-NH2 3.33Å; T171-R205 PolarHBondContact OG1-NE 2.74Å; T171-R205 PolarHBondContact OG1-NH2 2.67Å; T171-V207 HydrophobicContact CG2-CG2 4.08Å
172I89.7Confident90Very high0 Ų028.2 Ų28.20%015%0.153CC..EExtended strand (participates in β ladder)trans-120.8115.9178.3-60.4165.7000106.7I165 A192 I195 R196 A204 R205 V206 V207I165-I172 HydrophobicContact CG2-CG2 3.53Å; I172-A192 HydrophobicContact CG2-CB 3.94Å; I172-I195 HydrophobicContact CD1-CB 4.19Å; I172-I195 HydrophobicContact CD1-CG2 3.75Å; I172-R196 HydrophobicContact CD1-CB 4.03Å; I172-A204 HydrophobicContact CD1-CB 3.83Å; I172-A204 HydrophobicContact CG1-CB 4.2Å; I172-R205 PolarHBondContact N-O 2.82Å; I172-V206 HydrophobicContact CB-CG2 4.24Å; I172-V206 HydrophobicContact CD1-CG2 4.42Å; I172-V206 CarbonylContact O-C 3.54Å; I172-V206 VanDerWaalsContact O-CA 3.31Å; I172-V206 WeakPolarHBondContact O-CA 3.49Å; I172-V207 PolarHBondContact O-N 2.96Å
173L93.9Very high89.5Confident0 Ų034.4 Ų34.40%018%0.181CC..EExtended strand (participates in β ladder)trans-101.5110.8-176.3-56.6178.5000109.7I165 L166 L168 T171 W175 V207 P215 M218I165-L173 WeakPolarHBondContact CA-O 3.48Å; L166-L173 HydrophobicContact CB-CB 4.14Å; L166-L173 HydrophobicContact CD2-CD1 3.95Å; L166-L173 HydrophobicContact CG-CD1 4.22Å; L166-L173 PolarHBondContact N-O 2.86Å; L166-L173 PolarHBondContact O-N 2.87Å; L168-L173 HydrophobicContact CD1-CD1 3.75Å; L168-L173 HydrophobicContact CD1-CG 4.27Å; L168-L173 HydrophobicContact CG-CD1 4.45Å; T171-L173 HydrophobicContact CG2-CD2 3.54Å; T171-L173 HydrophobicContact CG2-CG 4.11Å; L173-W175 PolarHBondContact O-N 2.85Å; L173-V207 CarbonylContact C-O 3.45Å; L173-V207 WeakPolarHBondContact CA-O 3.16Å; L173-V207 HydrophobicContact CD2-CB 3.73Å; L173-V207 HydrophobicContact CD2-CG1 4.42Å; L173-V207 HydrophobicContact CD2-CG2 3.95Å; L173-P215 HydrophobicContact CD1-CG 4.26Å; L173-P215 HydrophobicContact CD2-CG 4.21Å; L173-M218 HydrophobicContact CD1-CB 3.87Å
174S95Very high89.1Confident0 Ų034.4 Ų34.40%018%0.181CC..EExtended strand (participates in β ladder)trans-88.787.517521.90000110F164 V207 D208 T209F164-S174 CarbonylContact O-C 3.59Å; S174-V207 PolarHBondContact N-O 2.72Å; S174-V207 PolarHBondContact OG-O 2.92Å; S174-D208 WeakPolarHBondContact CB-OD1 3.17Å; S174-D208 WeakPolarHBondContact OG-CA 3.43Å; S174-D208 PolarHBondContact OG-OD1 2.98Å; S174-T209 PolarHBondContact O-N 2.66Å
175W96.9Very high88.9Confident0 Ų037.1 Ų37.10%019%0.192CC..EExtended strand (participates in β ladder)trans-82.6139.5-179.9-174.297.1000112.3F158 N159 F164 L173 G177 T209 E211 E214 M218 L228F158-W175 HydrophobicContact CD1-CD2 4.02Å; F158-W175 AromaticContact CD1-CE3 3.76Å; F158-W175 HydrophobicContact CD1-CE3 3.76Å; F158-W175 HydrophobicContact CD1-CH2 4.18Å; F158-W175 HydrophobicContact CD1-CZ2 4.42Å; F158-W175 AromaticContact CD1-CZ3 3.84Å; F158-W175 HydrophobicContact CD1-CZ3 3.84Å; F158-W175 HydrophobicContact CE1-CB 4.37Å; F158-W175 AromaticContact CE1-CD2 3.87Å; F158-W175 HydrophobicContact CE1-CD2 3.87Å; F158-W175 AromaticContact CE1-CE3 3.88Å; F158-W175 HydrophobicContact CE1-CE3 3.88Å; F158-W175 HydrophobicContact CE1-CG 4.11Å; F158-W175 HydrophobicContact CE1-CZ3 4.44Å; N159-W175 WeakPolarHBondContact O-CZ3 3.37Å; F164-W175 HydrophobicContact CB-CE3 4.31Å; F164-W175 AromaticContact CD2-CE3 3.64Å; F164-W175 HydrophobicContact CD2-CE3 3.64Å; F164-W175 AromaticContact CD2-CZ3 3.7Å; F164-W175 HydrophobicContact CD2-CZ3 3.7Å; F164-W175 HydrophobicContact CE2-CE3 4.46Å; F164-W175 HydrophobicContact CE2-CZ3 4.07Å; F164-W175 HydrophobicContact CG-CE3 4.38Å; F164-W175 PolarHBondContact N-O 2.86Å; F164-W175 PolarHBondContact O-N 3.49Å; L173-W175 PolarHBondContact O-N 2.85Å; W175-G177 VanDerWaalsContact CZ3-CA 3.44Å; W175-G177 VanDerWaalsContact CZ3-N 3.27Å; W175-T209 CarbonylContact C-O 3.54Å; W175-T209 VanDerWaalsContact CA-O 3.32Å; W175-T209 WeakPolarHBondContact CA-O 3.27Å; W175-T209 HydrophobicContact CB-CG2 3.83Å; W175-T209 HydrophobicContact CG-CG2 4.19Å; W175-E211 HydrophobicContact CH2-CB 4.2Å; W175-E211 HydrophobicContact CH2-CG 4.47Å; W175-E211 HydrophobicContact CZ2-CB 3.63Å; W175-E211 HydrophobicContact CZ2-CG 3.92Å; W175-E214 PolarHBondContact NE1-OE1 3.44Å; W175-M218 HydrophobicContact CB-CE 4.04Å; W175-M218 HydrophobicContact CG-CE 3.81Å; W175-M218 HydrophobicContact CG-SD 4.36Å; W175-L228 HydrophobicContact CH2-CD1 3.48Å; W175-L228 VanDerWaalsContact CH2-CD1 3.48Å; W175-L228 HydrophobicContact CZ2-CD1 3.56Å
176T96.2Very high88.5Confident20 Ų2042.8 Ų42.812%0.12322%0.219CC..EExtended strand (participates in β ladder)trans-128.4113.3-171.2-620000111.4K185 T209 S210 E211T176-K185 HydrophobicContact CG2-CD 4.02Å; T176-K185 HydrophobicContact CG2-CG 3.81Å; T176-T209 WeakPolarHBondContact CB-O 3.41Å; T176-T209 PolarHBondContact N-O 3.23Å; T176-S210 WeakPolarHBondContact O-CA 3.25Å; T176-E211 PolarHBondContact O-N 3.44Å
177G94.7Very high88Confident0 Ų044.7 Ų44.70%023%0.227CC..  trans-64.2146.5175.200000113K160 D162 W175 Q179 A180K160-G177 CarbonylContact O-C 3.53Å; K160-G177 VanDerWaalsContact O-CA 3.25Å; K160-G177 WeakPolarHBondContact O-CA 3.34Å; D162-G177 PolarHBondContact O-N 3.18Å; W175-G177 VanDerWaalsContact CZ3-CA 3.44Å; W175-G177 VanDerWaalsContact CZ3-N 3.27Å; G177-Q179 PolarHBondContact O-N 3.04Å; G177-A180 WeakPolarHBondContact O-CB 3.35Å; G177-A180 PolarHBondContact O-N 2.87Å; G177-A180 VanDerWaalsContact O-N 3.09Å
178S93.1Very high88.2Confident72 Ų7244.7 Ų44.750%0.50323%0.227SC..THydrogen-bonded Turntrans-58.2-33.1-176.855.40000113.6K160 E211K160-S178 PolarHBondContact O-N 3.25Å; S178-E211 WeakPolarHBondContact CB-OE2 3.24Å; S178-E211 PolarHBondContact N-OE2 2.91Å; S178-E211 PolarHBondContact OG-OE2 3.06Å
179Q91.6Very high88.3Confident90 Ų9048.6 Ų48.642%0.42124%0.239SC..THydrogen-bonded Turntrans-94.5-5.2-179.1-58.1174.4-10.300113.1K160 G177 E230K160-Q179 HydrophobicContact CB-CB 4.38Å; K160-Q179 HydrophobicContact CB-CG 4.09Å; K160-Q179 WeakPolarHBondContact O-CA 3.47Å; K160-Q179 WeakPolarHBondContact O-CB 3.35Å; K160-Q179 PolarHBondContact O-N 3.16Å; G177-Q179 PolarHBondContact O-N 3.04Å; Q179-E230 PolarHBondContact NE2-OE1 2.94Å
180A89.3Confident88.3Confident6 Ų652 Ų525%0.0525%0.25CC..  trans-65.2149.8-168.100000115.4K160 G161 D162 G177 K185K160-A180 PolarHBondContact O-N 2.73Å; G161-A180 VanDerWaalsContact O-CA 3.28Å; G161-A180 WeakPolarHBondContact O-CA 3.4Å; D162-A180 VanDerWaalsContact C-CB 3.5Å; D162-A180 WeakPolarHBondContact O-CB 3.42Å; G177-A180 WeakPolarHBondContact O-CB 3.35Å; G177-A180 PolarHBondContact O-N 2.87Å; G177-A180 VanDerWaalsContact O-N 3.09Å; A180-K185 WeakPolarHBondContact O-CE 3.46Å; A180-K185 PolarHBondContact O-NZ 3.36Å
181N86.9Confident88.1Confident36 Ų3644.1 Ų44.119%0.19321%0.213CC..  trans-83.2158-167.592.454.7000113.3G142 F183 E184 K185G142-N181 PolarHBondContact O-ND2 3.42Å; N181-F183 VanDerWaalsContact C-N 3.29Å; N181-F183 PolarHBondContact O-N 3.18Å; N181-F183 WeakPolarHBondContact OD1-CA 3.4Å; N181-F183 WeakPolarHBondContact OD1-CB 3.35Å; N181-F183 PolarHBondContact OD1-N 2.79Å; N181-E184 PolarHBondContact N-OE2 2.91Å; N181-E184 WeakPolarHBondContact ND2-CG 3.36Å; N181-E184 PolarHBondContact ND2-OE1 2.86Å; N181-E184 PolarHBondContact ND2-OE2 2.82Å; N181-E184 PolarHBondContact O-N 3.18Å; N181-E184 PolarHBondContact OD1-N 3Å; N181-E184 VanDerWaalsContact OD1-N 3.11Å; N181-K185 WeakPolarHBondContact O-CG 3.27Å; N181-K185 PolarHBondContact O-N 3.28Å
182I87.6Confident87.9Confident123 Ų12343.4 Ų43.463%0.63121%0.209SC*.Hα-helixtrans-63.7-34.5-172.7-64.9174.9000112.1K185 Q186I182-K185 PolarHBondContact O-N 2.85Å; I182-Q186 WeakPolarHBondContact O-CG 3.29Å; I182-Q186 PolarHBondContact O-N 3.24Å; I182-Q186 VanDerWaalsContact O-N 3.12Å
183F81.4Confident87.4Confident130 Ų13045.3 Ų45.357%0.5722%0.222SC*.Hα-helixtrans-73.8-35.6179.6-58.7-72.2000111.1I146 N181 Q186 K187I146-F183 HydrophobicContact CD1-CB 3.39Å; N181-F183 VanDerWaalsContact C-N 3.29Å; N181-F183 PolarHBondContact O-N 3.18Å; N181-F183 WeakPolarHBondContact OD1-CA 3.4Å; N181-F183 WeakPolarHBondContact OD1-CB 3.35Å; N181-F183 PolarHBondContact OD1-N 2.79Å; F183-Q186 WeakPolarHBondContact O-CB 3.37Å; F183-Q186 PolarHBondContact O-N 2.97Å; F183-K187 WeakPolarHBondContact O-CB 3.45Å; F183-K187 PolarHBondContact O-N 2.83Å
184E83.8Confident86.3Confident0 Ų048.4 Ų48.40%024%0.238CC..Hα-helixtrans-64.6-42.3171.5-69.5161.3162.400111.2K141 G142 I146 C163 N181 Q186 K187 V188K141-E184 WeakPolarHBondContact CA-OE1 3.45Å; G142-E184 PolarHBondContact N-OE1 3.05Å; I146-E184 HydrophobicContact CD1-CG 3.87Å; I146-E184 HydrophobicContact CG1-CG 4.01Å; I146-E184 HydrophobicContact CG2-CG 4.23Å; C163-E184 HydrophobicContact CB-CB 4.29Å; N181-E184 PolarHBondContact N-OE2 2.91Å; N181-E184 WeakPolarHBondContact ND2-CG 3.36Å; N181-E184 PolarHBondContact ND2-OE1 2.86Å; N181-E184 PolarHBondContact ND2-OE2 2.82Å; N181-E184 PolarHBondContact O-N 3.18Å; N181-E184 PolarHBondContact OD1-N 3Å; N181-E184 VanDerWaalsContact OD1-N 3.11Å; E184-Q186 PolarHBondContact O-N 3.03Å; E184-K187 PolarHBondContact O-N 3.46Å; E184-V188 WeakPolarHBondContact O-CB 3.48Å; E184-V188 WeakPolarHBondContact O-CG1 3.43Å; E184-V188 PolarHBondContact O-N 3.1Å
185K91.1Very high85.1Confident57 Ų5748.6 Ų48.625%0.24824%0.239CC..Hα-helixtrans-63-20.3174-72.1167.9173.4163.20113.8T176 A180 N181 I182 R189T176-K185 HydrophobicContact CG2-CD 4.02Å; T176-K185 HydrophobicContact CG2-CG 3.81Å; A180-K185 WeakPolarHBondContact O-CE 3.46Å; A180-K185 PolarHBondContact O-NZ 3.36Å; N181-K185 WeakPolarHBondContact O-CG 3.27Å; N181-K185 PolarHBondContact O-N 3.28Å; I182-K185 PolarHBondContact O-N 2.85Å; K185-R189 PolarHBondContact O-NH1 2.83Å
186Q82.6Confident84.2Confident119 Ų11951.9 Ų51.956%0.55625%0.251SS*.Hα-helixtrans-84.6-45.4167.4-71173.2-10.500111.1I182 F183 E184 V188 R189 E190I182-Q186 WeakPolarHBondContact O-CG 3.29Å; I182-Q186 PolarHBondContact O-N 3.24Å; I182-Q186 VanDerWaalsContact O-N 3.12Å; F183-Q186 WeakPolarHBondContact O-CB 3.37Å; F183-Q186 PolarHBondContact O-N 2.97Å; E184-Q186 PolarHBondContact O-N 3.03Å; Q186-V188 PolarHBondContact O-N 2.94Å; Q186-R189 PolarHBondContact O-N 2.66Å; Q186-E190 PolarHBondContact O-N 2.85Å; Q186-E190 VanDerWaalsContact O-N 3.07Å
187K79.8Confident82.8Confident40 Ų4054.7 Ų54.717%0.17427%0.266CS..Hα-helixtrans-70.3-32.9-173.8-161.651.8155.6-178.20113.9I140 I146 F183 E184 R189 E190 I191I140-K187 HydrophobicContact CG2-CB 4.09Å; I140-K187 HydrophobicContact CG2-CG 4.33Å; I146-K187 HydrophobicContact CB-CB 4.44Å; I146-K187 HydrophobicContact CB-CG 4.16Å; I146-K187 HydrophobicContact CD1-CB 4.48Å; I146-K187 HydrophobicContact CG2-CB 3.84Å; I146-K187 HydrophobicContact CG2-CG 3.64Å; F183-K187 WeakPolarHBondContact O-CB 3.45Å; F183-K187 PolarHBondContact O-N 2.83Å; E184-K187 PolarHBondContact O-N 3.46Å; K187-R189 VanDerWaalsContact C-N 3.35Å; K187-E190 HydrophobicContact CD-CB 4.35Å; K187-E190 WeakPolarHBondContact CD-OE2 2.94Å; K187-E190 IonicContact NZ-OE1 2.67Å; K187-E190 PolarHBondContact NZ-OE1 2.92Å; K187-E190 IonicContact NZ-OE2 3.47Å; K187-E190 PolarHBondContact NZ-OE2 2.76Å; K187-E190 PolarHBondContact O-N 2.58Å; K187-I191 HydrophobicContact CD-CD1 4.16Å; K187-I191 HydrophobicContact CD-CG1 4.3Å; K187-I191 HydrophobicContact CG-CD1 3.95Å; K187-I191 HydrophobicContact CG-CG1 4.47Å; K187-I191 WeakPolarHBondContact O-CB 3.16Å; K187-I191 WeakPolarHBondContact O-CG1 3.39Å; K187-I191 PolarHBondContact O-N 3.13Å
188V86.8Confident81Confident1 Ų157.2 Ų57.21%0.00628%0.281CS..Hα-helixtrans-61.3-43.1173.969.30000111.1I140 C163 I165 E184 Q186 A192I140-V188 HydrophobicContact CG1-CB 4.11Å; I140-V188 HydrophobicContact CG1-CG2 4.02Å; I140-V188 HydrophobicContact CG2-CB 4.43Å; C163-V188 HydrophobicContact CB-CB 3.77Å; C163-V188 HydrophobicContact CB-CG1 4.02Å; C163-V188 HydrophobicContact CB-CG2 4Å; I165-V188 HydrophobicContact CD1-CG2 4.28Å; I165-V188 HydrophobicContact CG1-CG2 3.6Å; E184-V188 WeakPolarHBondContact O-CB 3.48Å; E184-V188 WeakPolarHBondContact O-CG1 3.43Å; E184-V188 PolarHBondContact O-N 3.1Å; Q186-V188 PolarHBondContact O-N 2.94Å; V188-A192 WeakPolarHBondContact O-CB 3.45Å; V188-A192 PolarHBondContact O-N 3.34Å
189R86.9Confident79.4Confident125 Ų12556.9 Ų56.947%0.47227%0.274SS..Hα-helixtrans-69.8-40.4177.5-70.1177.4169.7129.4-1112.8K185 Q186 K187 S193 D208K185-R189 PolarHBondContact O-NH1 2.83Å; Q186-R189 PolarHBondContact O-N 2.66Å; K187-R189 VanDerWaalsContact C-N 3.35Å; R189-S193 VanDerWaalsContact O-CB 3.29Å; R189-S193 WeakPolarHBondContact O-CB 3.08Å; R189-S193 PolarHBondContact O-N 2.68Å; R189-S193 PolarHBondContact O-OG 3.18Å; R189-D208 IonicContact CZ-OD2 3.69Å; R189-D208 VanDerWaalsContact CZ-OD2 3.22Å; R189-D208 IonicContact NE-OD1 2.68Å; R189-D208 IonicContact NE-OD2 2.71Å; R189-D208 PolarHBondContact NE-OD2 3.4Å; R189-D208 IonicContact NH2-OD2 3.1Å; R189-D208 PolarHBondContact NH2-OD2 2.72Å
190E79.4Confident78.4Confident90 Ų9054.1 Ų54.142%0.42126%0.259SS..Hα-helixtrans-57.6-52.2174.2-169.7-157.5123.700110.2Q186 K187 S193 L194Q186-E190 PolarHBondContact O-N 2.85Å; Q186-E190 VanDerWaalsContact O-N 3.07Å; K187-E190 HydrophobicContact CD-CB 4.35Å; K187-E190 WeakPolarHBondContact CD-OE2 2.94Å; K187-E190 IonicContact NZ-OE1 2.67Å; K187-E190 PolarHBondContact NZ-OE1 2.92Å; K187-E190 IonicContact NZ-OE2 3.47Å; K187-E190 PolarHBondContact NZ-OE2 2.76Å; K187-E190 PolarHBondContact O-N 2.58Å; E190-S193 PolarHBondContact O-N 2.9Å; E190-L194 HydrophobicContact CG-CD1 4.22Å; E190-L194 VanDerWaalsContact O-CG 3.29Å; E190-L194 WeakPolarHBondContact O-CG 3.49Å; E190-L194 PolarHBondContact O-N 3.21Å
191I76.8Confident77.2Confident3 Ų358.2 Ų58.22%0.01528%0.277CS..Hα-helixtrans-71.6-40.3-176.5-64.1176000111.5I140 A148 I165 K187 S193 L194 I195I140-I191 HydrophobicContact CD1-CD1 4.36Å; A148-I191 HydrophobicContact CB-CD1 3.8Å; A148-I191 HydrophobicContact CB-CG2 4.39Å; I165-I191 HydrophobicContact CD1-CB 3.82Å; I165-I191 HydrophobicContact CD1-CG2 3.6Å; K187-I191 HydrophobicContact CD-CD1 4.16Å; K187-I191 HydrophobicContact CD-CG1 4.3Å; K187-I191 HydrophobicContact CG-CD1 3.95Å; K187-I191 HydrophobicContact CG-CG1 4.47Å; K187-I191 WeakPolarHBondContact O-CB 3.16Å; K187-I191 WeakPolarHBondContact O-CG1 3.39Å; K187-I191 PolarHBondContact O-N 3.13Å; I191-S193 VanDerWaalsContact C-N 3.3Å; I191-S193 PolarHBondContact O-N 3.09Å; I191-L194 PolarHBondContact O-N 3.27Å; I191-I195 HydrophobicContact CG2-CD1 3.84Å; I191-I195 HydrophobicContact CG2-CG1 4.33Å; I191-I195 VanDerWaalsContact O-CG1 3.31Å; I191-I195 WeakPolarHBondContact O-CG1 3.49Å; I191-I195 PolarHBondContact O-N 3.4Å
192A83.5Confident76.3Confident0 Ų058.5 Ų58.50%029%0.289CS..Hα-helixtrans-61.5-37.8174.600000112.4I165 I172 V188 R196 V206I165-A192 HydrophobicContact CD1-CB 4.14Å; I172-A192 HydrophobicContact CG2-CB 3.94Å; V188-A192 WeakPolarHBondContact O-CB 3.45Å; V188-A192 PolarHBondContact O-N 3.34Å; A192-R196 WeakPolarHBondContact O-CB 3.27Å; A192-R196 PolarHBondContact O-N 2.78Å; A192-R196 VanDerWaalsContact O-N 3.08Å; A192-V206 HydrophobicContact CB-CG1 4.09Å
193S79.3Confident75.5Confident40 Ų4060.9 Ų60.928%0.2829%0.294SS..Hα-helixtrans-68.2-41.3174-57.90000111.9R189 E190 I191 R196 D197R189-S193 VanDerWaalsContact O-CB 3.29Å; R189-S193 WeakPolarHBondContact O-CB 3.08Å; R189-S193 PolarHBondContact O-N 2.68Å; R189-S193 PolarHBondContact O-OG 3.18Å; E190-S193 PolarHBondContact O-N 2.9Å; I191-S193 VanDerWaalsContact C-N 3.3Å; I191-S193 PolarHBondContact O-N 3.09Å; S193-R196 WeakPolarHBondContact O-CB 3.45Å; S193-R196 PolarHBondContact O-N 3.49Å; S193-D197 WeakPolarHBondContact O-CB 3.49Å; S193-D197 VanDerWaalsContact O-CG 3.29Å; S193-D197 PolarHBondContact O-N 3.02Å
194L70.6Confident75.4Confident64 Ų6455 Ų5534%0.33527%0.27SS..Hα-helixtrans-62.9-45.5176.9-75.6168.4000112.3E190 I191 R196 D197 T198 I336E190-L194 HydrophobicContact CG-CD1 4.22Å; E190-L194 VanDerWaalsContact O-CG 3.29Å; E190-L194 WeakPolarHBondContact O-CG 3.49Å; E190-L194 PolarHBondContact O-N 3.21Å; I191-L194 PolarHBondContact O-N 3.27Å; L194-R196 VanDerWaalsContact C-N 3.34Å; L194-R196 PolarHBondContact O-N 3.26Å; L194-D197 PolarHBondContact O-N 2.97Å; L194-T198 PolarHBondContact O-N 3.11Å; L194-T198 PolarHBondContact O-OG1 3.36Å; L194-I336 HydrophobicContact CB-CD1 3.84Å; L194-I336 HydrophobicContact CB-CG1 4.08Å; L194-I336 HydrophobicContact CB-CG2 3.96Å; L194-I336 HydrophobicContact CD1-CG2 4.39Å; L194-I336 HydrophobicContact CD2-CD1 4.07Å; L194-I336 HydrophobicContact CG-CD1 4.39Å
195I69.6Low75.8Confident4 Ų460.5 Ų60.52%0.02129%0.291CS..Hα-helixtrans-60.8-43.7175.5-64.7164.9000110.1Y138 I165 I172 I191 D199 R200Y138-I195 HydrophobicContact CE2-CD1 4.47Å; I165-I195 HydrophobicContact CD1-CD1 4.38Å; I172-I195 HydrophobicContact CD1-CB 4.19Å; I172-I195 HydrophobicContact CD1-CG2 3.75Å; I191-I195 HydrophobicContact CG2-CD1 3.84Å; I191-I195 HydrophobicContact CG2-CG1 4.33Å; I191-I195 VanDerWaalsContact O-CG1 3.31Å; I191-I195 WeakPolarHBondContact O-CG1 3.49Å; I191-I195 PolarHBondContact O-N 3.4Å; I195-D199 HydrophobicContact CG2-CB 4.34Å; I195-D199 PolarHBondContact O-N 3.43Å; I195-R200 PolarHBondContact O-N 3.22Å
196R77.9Confident75.8Confident69 Ų6959.8 Ų59.826%0.2629%0.291SS..Hα-helixtrans-56.5-54.8173.9-179.1-166.867.3-133.4-9.4111.4I172 A192 S193 L194 R200 H201 G202 A204 V206I172-R196 HydrophobicContact CD1-CB 4.03Å; A192-R196 WeakPolarHBondContact O-CB 3.27Å; A192-R196 PolarHBondContact O-N 2.78Å; A192-R196 VanDerWaalsContact O-N 3.08Å; S193-R196 WeakPolarHBondContact O-CB 3.45Å; S193-R196 PolarHBondContact O-N 3.49Å; L194-R196 VanDerWaalsContact C-N 3.34Å; L194-R196 PolarHBondContact O-N 3.26Å; R196-R200 CarbonylContact O-C 3.12Å; R196-R200 WeakPolarHBondContact O-CA 3.36Å; R196-R200 WeakPolarHBondContact O-CB 3.1Å; R196-H201 PolarHBondContact O-N 3.1Å; R196-G202 WeakPolarHBondContact O-CA 3.25Å; R196-G202 PolarHBondContact O-N 2.91Å; R196-A204 VanDerWaalsContact CD-O 3.26Å; R196-A204 WeakPolarHBondContact CD-O 3.38Å; R196-A204 HydrophobicContact CG-CB 4.36Å; R196-A204 VanDerWaalsContact CG-O 3.26Å; R196-A204 WeakPolarHBondContact CG-O 3.47Å; R196-V206 HydrophobicContact CB-CG2 3.92Å; R196-V206 HydrophobicContact CG-CG2 4.34Å
197D66.9Low76.3Confident80 Ų8056 Ų5643%0.42828%0.276SS..Hα-helixtrans-76.2-31.5-166.3-68.1-23.7000112.9S193 L194 H201 G202S193-D197 WeakPolarHBondContact O-CB 3.49Å; S193-D197 VanDerWaalsContact O-CG 3.29Å; S193-D197 PolarHBondContact O-N 3.02Å; L194-D197 PolarHBondContact O-N 2.97Å; D197-H201 WeakPolarHBondContact O-CA 3.37Å; D197-G202 PolarHBondContact O-N 3.35Å
198T55.8Low77Confident52 Ų5257.7 Ų57.732%0.31929%0.287SS..THydrogen-bonded Turntrans-99.7-71.4-179.358.40000112L194 R200 H201 I336L194-T198 PolarHBondContact O-N 3.11Å; L194-T198 PolarHBondContact O-OG1 3.36Å; T198-R200 PolarHBondContact O-N 3.1Å; T198-H201 PolarHBondContact O-N 3.37Å; T198-H201 VanDerWaalsContact O-N 3.07Å; T198-H201 PolarHBondContact O-ND1 2.58Å; T198-I336 HydrophobicContact CG2-CD1 3.99Å; T198-I336 VanDerWaalsContact OG1-CD1 3.24Å; T198-I336 WeakPolarHBondContact OG1-CD1 3.32Å; T198-I336 WeakPolarHBondContact OG1-CG1 3.22Å
199D60.3Low77.4Confident65 Ų6558 Ų5835%0.34829%0.289SS..THydrogen-bonded Turntrans-64.5-24.7-173.8-51.2-34.8000112.7I195I195-D199 HydrophobicContact CG2-CB 4.34Å; I195-D199 PolarHBondContact O-N 3.43Å
200R69.3Low77.7Confident33 Ų3354.3 Ų54.313%0.12528%0.283CS..THydrogen-bonded Turntrans-11511.7173.8-54.7-68.1163.246.28.8114.3E107 D167 G169 I195 R196 T198 G202 K203 A204E107-R200 IonicContact OE1-NH2 2.81Å; D167-R200 IonicContact OD1-CZ 2.69Å; D167-R200 IonicContact OD1-NH1 2.79Å; D167-R200 PolarHBondContact OD1-NH1 2.79Å; D167-R200 IonicContact OD1-NH2 2.68Å; D167-R200 PolarHBondContact OD1-NH2 3.07Å; D167-R200 IonicContact OD2-CZ 3.22Å; D167-R200 IonicContact OD2-NH1 3.36Å; D167-R200 PolarHBondContact OD2-NH1 2.72Å; D167-R200 IonicContact OD2-NH2 3Å; D167-R200 PolarHBondContact OD2-NH2 3.26Å; G169-R200 WeakPolarHBondContact O-CD 3.5Å; G169-R200 PolarHBondContact O-NH1 2.88Å; I195-R200 PolarHBondContact O-N 3.22Å; R196-R200 CarbonylContact O-C 3.12Å; R196-R200 WeakPolarHBondContact O-CA 3.36Å; R196-R200 WeakPolarHBondContact O-CB 3.1Å; T198-R200 PolarHBondContact O-N 3.1Å; R200-G202 PolarHBondContact O-N 3.04Å; R200-G202 VanDerWaalsContact O-N 3.12Å; R200-K203 WeakPolarHBondContact O-CB 3.4Å; R200-K203 PolarHBondContact O-N 3.28Å; R200-A204 HydrophobicContact CB-CB 3.73Å; R200-A204 HydrophobicContact CG-CB 3.9Å
201H64.5Low78.3Confident92 Ų9252.2 Ų52.243%0.42627%0.273SS..THydrogen-bonded Turntrans51.436173.5-45.3-41.9000114.8Q56 R196 D197 T198 K203Q56-H201 PolarHBondContact NE2-CD2 2.67Å; Q56-H201 PolarHBondContact NE2-NE2 2.96Å; R196-H201 PolarHBondContact O-N 3.1Å; D197-H201 WeakPolarHBondContact O-CA 3.37Å; T198-H201 PolarHBondContact O-N 3.37Å; T198-H201 VanDerWaalsContact O-N 3.07Å; T198-H201 PolarHBondContact O-ND1 2.58Å; H201-K203 VanDerWaalsContact C-N 3.29Å; H201-K203 PolarHBondContact O-N 2.79Å
202G68.8Low78.9Confident42 Ų4255 Ų5543%0.43330%0.301SS..THydrogen-bonded Turntrans77.71.6-178.300000115.5R196 D197 R200R196-G202 WeakPolarHBondContact O-CA 3.25Å; R196-G202 PolarHBondContact O-N 2.91Å; D197-G202 PolarHBondContact O-N 3.35Å; R200-G202 PolarHBondContact O-N 3.04Å; R200-G202 VanDerWaalsContact O-N 3.12Å
203K71.5Confident79.3Confident172 Ų17261.1 Ų61.175%0.74833%0.33SS*.  trans-90.5-22.4-170.3-61-177.6-177.8178.70115.1R200 H201R200-K203 WeakPolarHBondContact O-CB 3.4Å; R200-K203 PolarHBondContact O-N 3.28Å; H201-K203 VanDerWaalsContact C-N 3.29Å; H201-K203 PolarHBondContact O-N 2.79Å
204A77.9Confident80Confident8 Ų860.6 Ų60.67%0.06632%0.323CS..SBendtrans-75.9145.6-178.300000112.4E170 I172 R196 R200E170-A204 WeakPolarHBondContact O-CA 3.14Å; I172-A204 HydrophobicContact CD1-CB 3.83Å; I172-A204 HydrophobicContact CG1-CB 4.2Å; R196-A204 VanDerWaalsContact CD-O 3.26Å; R196-A204 WeakPolarHBondContact CD-O 3.38Å; R196-A204 HydrophobicContact CG-CB 4.36Å; R196-A204 VanDerWaalsContact CG-O 3.26Å; R196-A204 WeakPolarHBondContact CG-O 3.47Å; R200-A204 HydrophobicContact CB-CB 3.73Å; R200-A204 HydrophobicContact CG-CB 3.9Å
205R91.7Very high81Confident115 Ų11559 Ų5943%0.43432%0.317SS..EExtended strand (participates in β ladder)trans-81.9123.9170.9174.6-17751.8131-4.4109.5E170 T171 I172 V207 E217E170-R205 PolarHBondContact O-N 3.48Å; T171-R205 CarbonylContact C-O 3.4Å; T171-R205 WeakPolarHBondContact CA-O 3.48Å; T171-R205 VanDerWaalsContact CG2-NH2 3.33Å; T171-R205 PolarHBondContact OG1-NE 2.74Å; T171-R205 PolarHBondContact OG1-NH2 2.67Å; I172-R205 PolarHBondContact N-O 2.82Å; R205-V207 HydrophobicContact CG-CG2 3.85Å; R205-E217 IonicContact CZ-OE1 2.74Å; R205-E217 IonicContact CZ-OE2 2.66Å; R205-E217 IonicContact NH1-OE2 3.17Å; R205-E217 PolarHBondContact NH1-OE2 2.89Å; R205-E217 IonicContact NH2-OE1 2.67Å; R205-E217 PolarHBondContact NH2-OE1 3.05Å; R205-E217 IonicContact NH2-OE2 2.63Å; R205-E217 PolarHBondContact NH2-OE2 2.86Å
206V91.2Very high82Confident42 Ų4266.8 Ų66.826%0.25535%0.353SS..EExtended strand (participates in β ladder)trans-90.6136.7167.5177.80000109.1I172 A192 R196I172-V206 HydrophobicContact CB-CG2 4.24Å; I172-V206 HydrophobicContact CD1-CG2 4.42Å; I172-V206 CarbonylContact O-C 3.54Å; I172-V206 VanDerWaalsContact O-CA 3.31Å; I172-V206 WeakPolarHBondContact O-CA 3.49Å; A192-V206 HydrophobicContact CB-CG1 4.09Å; R196-V206 HydrophobicContact CB-CG2 3.92Å; R196-V206 HydrophobicContact CG-CG2 4.34Å
207V94.9Very high82.5Confident38 Ų3867.1 Ų67.123%0.2336%0.358CS..EExtended strand (participates in β ladder)trans-132.1111.6177-169.50000109.1T171 I172 L173 S174 R205T171-V207 HydrophobicContact CG2-CG2 4.08Å; I172-V207 PolarHBondContact O-N 2.96Å; L173-V207 CarbonylContact C-O 3.45Å; L173-V207 WeakPolarHBondContact CA-O 3.16Å; L173-V207 HydrophobicContact CD2-CB 3.73Å; L173-V207 HydrophobicContact CD2-CG1 4.42Å; L173-V207 HydrophobicContact CD2-CG2 3.95Å; S174-V207 PolarHBondContact N-O 2.72Å; S174-V207 PolarHBondContact OG-O 2.92Å; R205-V207 HydrophobicContact CG-CG2 3.85Å
208D94.4Very high83.6Confident76 Ų7663.3 Ų63.341%0.40634%0.338SS..EExtended strand (participates in β ladder)trans-71.2135.9166.9-79.9-6.6000109.5S174 R189S174-D208 WeakPolarHBondContact CB-OD1 3.17Å; S174-D208 WeakPolarHBondContact OG-CA 3.43Å; S174-D208 PolarHBondContact OG-OD1 2.98Å; R189-D208 IonicContact CZ-OD2 3.69Å; R189-D208 VanDerWaalsContact CZ-OD2 3.22Å; R189-D208 IonicContact NE-OD1 2.68Å; R189-D208 IonicContact NE-OD2 2.71Å; R189-D208 PolarHBondContact NE-OD2 3.4Å; R189-D208 IonicContact NH2-OD2 3.1Å; R189-D208 PolarHBondContact NH2-OD2 2.72Å
209T93.7Very high85.3Confident8 Ų864 Ų645%0.04934%0.339CS..EExtended strand (participates in β ladder)trans-144.1148.9177.1-179.70000110.3S174 W175 T176 E213S174-T209 PolarHBondContact O-N 2.66Å; W175-T209 CarbonylContact C-O 3.54Å; W175-T209 VanDerWaalsContact CA-O 3.32Å; W175-T209 WeakPolarHBondContact CA-O 3.27Å; W175-T209 HydrophobicContact CB-CG2 3.83Å; W175-T209 HydrophobicContact CG-CG2 4.19Å; T176-T209 WeakPolarHBondContact CB-O 3.41Å; T176-T209 PolarHBondContact N-O 3.23Å; T209-E213 PolarHBondContact OG1-O 3.48Å
210S93.8Very high86.6Confident48 Ų4869.8 Ų69.834%0.33636%0.361SS..EExtended strand (participates in β ladder)trans-107.3165.3177.3-39.60000111.7T176 G212 E213T176-S210 WeakPolarHBondContact O-CA 3.25Å; S210-G212 PolarHBondContact O-N 3.1Å; S210-E213 WeakPolarHBondContact CB-OE2 3.36Å; S210-E213 PolarHBondContact N-OE2 2.84Å; S210-E213 PolarHBondContact O-N 2.79Å; S210-E213 PolarHBondContact OG-OE2 2.88Å
211E92.5Very high87.3Confident46 Ų4670 Ų7022%0.21537%0.366CS..THydrogen-bonded Turntrans-54.7115.6165.8-175.4-176.8159.700111.3K160 W175 T176 S178 E214K160-E211 WeakPolarHBondContact CG-OE2 3.33Å; K160-E211 IonicContact NZ-OE1 3.9Å; K160-E211 PolarHBondContact NZ-OE1 3.41Å; W175-E211 HydrophobicContact CH2-CB 4.2Å; W175-E211 HydrophobicContact CH2-CG 4.47Å; W175-E211 HydrophobicContact CZ2-CB 3.63Å; W175-E211 HydrophobicContact CZ2-CG 3.92Å; T176-E211 PolarHBondContact O-N 3.44Å; S178-E211 WeakPolarHBondContact CB-OE2 3.24Å; S178-E211 PolarHBondContact N-OE2 2.91Å; S178-E211 PolarHBondContact OG-OE2 3.06Å; E211-E214 VanDerWaalsContact CA-OE1 3.31Å; E211-E214 WeakPolarHBondContact CA-OE1 3.4Å
212G89.4Confident88.2Confident60 Ų6066.7 Ų66.762%0.61935%0.351SS*.THydrogen-bonded Turntrans95.11.7-175.900000115.1S210 E214S210-G212 PolarHBondContact O-N 3.1Å; G212-E214 VanDerWaalsContact C-OE2 3.3Å; G212-E214 WeakPolarHBondContact CA-OE2 3.3Å; G212-E214 VanDerWaalsContact N-CD 3.33Å; G212-E214 PolarHBondContact N-OE1 2.86Å; G212-E214 PolarHBondContact N-OE2 2.89Å
213E92.2Very high89.2Confident130 Ų13065.8 Ų65.861%0.60734%0.342SS*.  trans-115.516.2177.2-59.1-176.4135.100112.3T209 S210T209-E213 PolarHBondContact OG1-O 3.48Å; S210-E213 WeakPolarHBondContact CB-OE2 3.36Å; S210-E213 PolarHBondContact N-OE2 2.84Å; S210-E213 PolarHBondContact O-N 2.79Å; S210-E213 PolarHBondContact OG-OE2 2.88Å
214E92.8Very high90Very high28 Ų2863.2 Ų63.213%0.13134%0.343CS..  trans-57.8122.6-169.2-67.769.5-150.900113.3W155 W175 E211 G212 M218 L219 M225W155-E214 HydrophobicContact CH2-CG 4.03Å; W175-E214 PolarHBondContact NE1-OE1 3.44Å; E211-E214 VanDerWaalsContact CA-OE1 3.31Å; E211-E214 WeakPolarHBondContact CA-OE1 3.4Å; G212-E214 VanDerWaalsContact C-OE2 3.3Å; G212-E214 WeakPolarHBondContact CA-OE2 3.3Å; G212-E214 VanDerWaalsContact N-CD 3.33Å; G212-E214 PolarHBondContact N-OE1 2.86Å; G212-E214 PolarHBondContact N-OE2 2.89Å; E214-M218 HydrophobicContact CB-SD 4.28Å; E214-M218 HydrophobicContact CG-SD 3.94Å; E214-L219 HydrophobicContact CB-CD1 4.44Å; E214-L219 HydrophobicContact CB-CD2 3.81Å; E214-L219 HydrophobicContact CB-CG 4.04Å; E214-L219 HydrophobicContact CG-CD2 4.34Å; E214-M225 VanDerWaalsContact CD-CE 3.47Å; E214-M225 HydrophobicContact CG-SD 4.37Å; E214-M225 WeakPolarHBondContact OE1-CE 3.25Å; E214-M225 VanDerWaalsContact OE2-CE 3.25Å; E214-M225 WeakPolarHBondContact OE2-CE 3.41Å
215P92Very high90.5Very high32 Ų3266 Ų6621%0.20836%0.355CS..  trans-70154.5178.328.2-34.3000111.8L173 E217 M218 L219L173-P215 HydrophobicContact CD1-CG 4.26Å; L173-P215 HydrophobicContact CD2-CG 4.21Å; P215-E217 PolarHBondContact O-N 2.68Å; P215-M218 HydrophobicContact CG-CB 4.07Å; P215-M218 WeakPolarHBondContact O-CA 3.22Å; P215-M218 VanDerWaalsContact O-CB 3.31Å; P215-M218 WeakPolarHBondContact O-CB 3.47Å; P215-M218 PolarHBondContact O-N 2.87Å; P215-L219 PolarHBondContact O-N 3.39Å
216E90.1Very high90.5Very high167 Ų16763.1 Ų63.178%0.7835%0.352SS*.Hα-helixtrans-52.8-32.6177.4-64.2-170.9164.500112.8M218 L219 K220E216-M218 VanDerWaalsContact C-N 3.28Å; E216-M218 PolarHBondContact O-N 3.13Å; E216-L219 PolarHBondContact O-N 2.85Å; E216-K220 WeakPolarHBondContact O-CB 3.47Å; E216-K220 PolarHBondContact O-N 3.18Å
217E88.8Confident90.4Very high76 Ų7667.6 Ų67.636%0.35538%0.381SS..Hα-helixtrans-60.5-35176.8-56.3178.8120.200112.3L168 R205 P215 V221L168-E217 HydrophobicContact CD1-CB 4.38Å; R205-E217 IonicContact CZ-OE1 2.74Å; R205-E217 IonicContact CZ-OE2 2.66Å; R205-E217 IonicContact NH1-OE2 3.17Å; R205-E217 PolarHBondContact NH1-OE2 2.89Å; R205-E217 IonicContact NH2-OE1 2.67Å; R205-E217 PolarHBondContact NH2-OE1 3.05Å; R205-E217 IonicContact NH2-OE2 2.63Å; R205-E217 PolarHBondContact NH2-OE2 2.86Å; P215-E217 PolarHBondContact O-N 2.68Å; E217-V221 WeakPolarHBondContact O-CG2 3.13Å
218M91.1Very high90.3Very high0 Ų066.5 Ų66.50%037%0.374CS..Hα-helixtrans-76.5-47.8175.1-175.8162.8-168.100111.6W155 F158 L166 L173 W175 E214 P215 E216 K220 V221 L222W155-M218 HydrophobicContact CH2-CE 3.68Å; W155-M218 HydrophobicContact CH2-SD 4.44Å; W155-M218 HydrophobicContact CZ3-CE 4.05Å; F158-M218 HydrophobicContact CE1-CE 3.53Å; F158-M218 HydrophobicContact CE2-CE 4.45Å; F158-M218 HydrophobicContact CZ-CE 3.43Å; F158-M218 VanDerWaalsContact CZ-CE 3.43Å; L166-M218 HydrophobicContact CD2-CB 4.24Å; L166-M218 HydrophobicContact CD2-CE 4.25Å; L166-M218 HydrophobicContact CD2-CG 3.7Å; L166-M218 HydrophobicContact CD2-SD 4.39Å; L173-M218 HydrophobicContact CD1-CB 3.87Å; W175-M218 HydrophobicContact CB-CE 4.04Å; W175-M218 HydrophobicContact CG-CE 3.81Å; W175-M218 HydrophobicContact CG-SD 4.36Å; E214-M218 HydrophobicContact CB-SD 4.28Å; E214-M218 HydrophobicContact CG-SD 3.94Å; P215-M218 HydrophobicContact CG-CB 4.07Å; P215-M218 WeakPolarHBondContact O-CA 3.22Å; P215-M218 VanDerWaalsContact O-CB 3.31Å; P215-M218 WeakPolarHBondContact O-CB 3.47Å; P215-M218 PolarHBondContact O-N 2.87Å; E216-M218 VanDerWaalsContact C-N 3.28Å; E216-M218 PolarHBondContact O-N 3.13Å; M218-K220 VanDerWaalsContact C-N 3.28Å; M218-K220 PolarHBondContact O-N 3.44Å; M218-V221 PolarHBondContact O-N 3Å; M218-L222 HydrophobicContact CE-CD1 3.6Å; M218-L222 HydrophobicContact CG-CD1 3.91Å; M218-L222 PolarHBondContact O-N 2.86Å
219L90.4Very high90.1Very high65 Ų6565.9 Ų65.934%0.3438%0.379SS..Hα-helixtrans-66.6-29.7-178-60.4179.5000112.5W155 E214 P215 E216 V221 G223W155-L219 HydrophobicContact CZ2-CD2 4.13Å; E214-L219 HydrophobicContact CB-CD1 4.44Å; E214-L219 HydrophobicContact CB-CD2 3.81Å; E214-L219 HydrophobicContact CB-CG 4.04Å; E214-L219 HydrophobicContact CG-CD2 4.34Å; P215-L219 PolarHBondContact O-N 3.39Å; E216-L219 PolarHBondContact O-N 2.85Å; L219-V221 VanDerWaalsContact C-N 3.26Å; L219-V221 PolarHBondContact O-N 2.89Å; L219-G223 CarbonylContact O-C 3.33Å; L219-G223 WeakPolarHBondContact O-CA 3.36Å; L219-G223 PolarHBondContact O-N 3.18Å
220K87.6Confident89.9Confident187 Ų18772 Ų7281%0.81341%0.408SS*.Hα-helixtrans-68.1-23.6172.7-176.6178.2178.7-175.70113.3E216 M218E216-K220 WeakPolarHBondContact O-CB 3.47Å; E216-K220 PolarHBondContact O-N 3.18Å; M218-K220 VanDerWaalsContact C-N 3.28Å; M218-K220 PolarHBondContact O-N 3.44Å
221V84Confident89.2Confident38 Ų3870.7 Ų70.723%0.2340%0.399CS..Hα-helixtrans-93.7-54.8-179.7167.30000111.3L153 L166 L168 E217 M218 L219L153-V221 HydrophobicContact CD1-CG1 4.29Å; L153-V221 HydrophobicContact CD2-CG1 4.02Å; L153-V221 HydrophobicContact CG-CG1 4.32Å; L166-V221 HydrophobicContact CD1-CG1 4.44Å; L168-V221 HydrophobicContact CD2-CG1 4.45Å; L168-V221 HydrophobicContact CD2-CG2 3.97Å; E217-V221 WeakPolarHBondContact O-CG2 3.13Å; M218-V221 PolarHBondContact O-N 3Å; L219-V221 VanDerWaalsContact C-N 3.26Å; L219-V221 PolarHBondContact O-N 2.89Å
222L83.9Confident88.6Confident22 Ų2271.8 Ų71.812%0.11541%0.408CS..Hα-helixtrans-86.6-12.9-174.4-60.1172000113.3L153 W155 F158 L166 M218L153-L222 HydrophobicContact CD1-CD2 4.15Å; L153-L222 HydrophobicContact CG-CD2 4.08Å; W155-L222 HydrophobicContact CD2-CB 4.14Å; W155-L222 HydrophobicContact CD2-CD1 4.17Å; W155-L222 HydrophobicContact CE3-CD1 4.26Å; W155-L222 HydrophobicContact CG-CB 4.31Å; W155-L222 HydrophobicContact CH2-CD1 3.92Å; W155-L222 HydrophobicContact CZ2-CB 3.94Å; W155-L222 HydrophobicContact CZ2-CD1 3.79Å; W155-L222 HydrophobicContact CZ3-CD1 4.14Å; W155-L222 VanDerWaalsContact NE1-CB 3.33Å; W155-L222 PolarHBondContact NE1-O 2.81Å; F158-L222 HydrophobicContact CD2-CD1 4.46Å; F158-L222 HydrophobicContact CE2-CD1 3.45Å; F158-L222 VanDerWaalsContact CE2-CD1 3.45Å; F158-L222 HydrophobicContact CE2-CD2 4.25Å; F158-L222 HydrophobicContact CZ-CD1 3.61Å; L166-L222 HydrophobicContact CD2-CD1 4.03Å; L166-L222 HydrophobicContact CD2-CG 4.31Å; M218-L222 HydrophobicContact CE-CD1 3.6Å; M218-L222 HydrophobicContact CG-CD1 3.91Å; M218-L222 PolarHBondContact O-N 2.86Å
223G88.9Confident87.9Confident24 Ų2471.9 Ų71.925%0.24740%0.399CS..  trans81.3-175.6-167.400000112.5W155 L219W155-G223 PolarHBondContact NE1-O 2.87Å; L219-G223 CarbonylContact O-C 3.33Å; L219-G223 WeakPolarHBondContact O-CA 3.36Å; L219-G223 PolarHBondContact O-N 3.18Å
224P88.6Confident87.2Confident118 Ų11871.3 Ų71.377%0.76640%0.397SS*.SBendtrans-63.9135.5178.527.8-34.8000111.3W155 P226W155-P224 PolarHBondContact NE1-O 2.87Å; P224-P226 WeakPolarHBondContact O-CD 3.49Å
225M88.5Confident86.4Confident65 Ų6573.7 Ų73.732%0.3241%0.408SS..PPolyproline II helixtrans-65.9123-177.2-177168.260.200111.9W155 E214 L228W155-M225 HydrophobicContact CD2-CB 4.48Å; W155-M225 HydrophobicContact CD2-CG 4.32Å; W155-M225 HydrophobicContact CE3-CG 4.16Å; W155-M225 HydrophobicContact CH2-CB 3.96Å; W155-M225 HydrophobicContact CH2-CG 3.89Å; W155-M225 HydrophobicContact CH2-SD 3.86Å; W155-M225 HydrophobicContact CZ2-CB 3.68Å; W155-M225 HydrophobicContact CZ2-CG 4.06Å; W155-M225 HydrophobicContact CZ3-CB 4.48Å; W155-M225 HydrophobicContact CZ3-CG 3.95Å; W155-M225 HydrophobicContact CZ3-SD 3.89Å; E214-M225 VanDerWaalsContact CD-CE 3.47Å; E214-M225 HydrophobicContact CG-SD 4.37Å; E214-M225 WeakPolarHBondContact OE1-CE 3.25Å; E214-M225 VanDerWaalsContact OE2-CE 3.25Å; E214-M225 WeakPolarHBondContact OE2-CE 3.41Å; M225-L228 HydrophobicContact CG-CD2 4.32Å; M225-L228 HydrophobicContact CG-CG 4.36Å; M225-L228 HydrophobicContact SD-CD1 3.94Å; M225-L228 HydrophobicContact SD-CG 4.23Å
226P91.3Very high85.4Confident56 Ų5672.9 Ų72.936%0.36440%0.402SS..PPolyproline II helixtrans-82.5170.817136.2-35.2000111.1W155 P224 L228W155-P226 HydrophobicContact CB-CG 3.61Å; W155-P226 HydrophobicContact CG-CG 4.01Å; P224-P226 WeakPolarHBondContact O-CD 3.49Å; P226-L228 HydrophobicContact CG-CD2 4.5Å; P226-L228 PolarHBondContact O-N 3.2Å
227P90.6Very high84.8Confident135 Ų13567 Ų6788%0.87738%0.379SS*.  trans-58.2111.7168.4-22.734.3000111.2
228L91.2Very high84.2Confident16 Ų1669.8 Ų69.88%0.08439%0.39CS..PPolyproline II helixtrans-74.4148.1-179.6-57.9-176.4000112W155 F158 K160 W175 M225 P226W155-L228 HydrophobicContact CE3-CD2 3.87Å; W155-L228 HydrophobicContact CZ3-CD2 4.43Å; F158-L228 HydrophobicContact CB-CD1 4.15Å; F158-L228 HydrophobicContact CB-CD2 3.81Å; K160-L228 VanDerWaalsContact CE-O 3.23Å; K160-L228 WeakPolarHBondContact CE-O 3.47Å; K160-L228 HydrophobicContact CG-CB 4.05Å; W175-L228 HydrophobicContact CH2-CD1 3.48Å; W175-L228 VanDerWaalsContact CH2-CD1 3.48Å; W175-L228 HydrophobicContact CZ2-CD1 3.56Å; M225-L228 HydrophobicContact CG-CD2 4.32Å; M225-L228 HydrophobicContact CG-CG 4.36Å; M225-L228 HydrophobicContact SD-CD1 3.94Å; M225-L228 HydrophobicContact SD-CG 4.23Å; P226-L228 HydrophobicContact CG-CD2 4.5Å; P226-L228 PolarHBondContact O-N 3.2Å
229A90.2Very high83.1Confident62 Ų6270.3 Ų70.351%0.51240%0.395SS..BIsolated β-bridgetrans-68151.5174.900000111.9N159 K160N159-A229 CarbonylContact C-O 3.49Å; N159-A229 WeakPolarHBondContact CA-O 3.24Å; N159-A229 WeakPolarHBondContact CB-O 3.3Å; K160-A229 WeakPolarHBondContact CG-O 3.45Å; K160-A229 PolarHBondContact N-O 3.23Å
230E89.5Confident82.2Confident138 Ų13868.1 Ų68.165%0.64538%0.383SS*.PPolyproline II helixtrans-73.4159.2164-56.9-159.6125.300110.4K160 Q179K160-E230 HydrophobicContact CD-CG 4.35Å; Q179-E230 PolarHBondContact NE2-OE1 2.94Å
231S80.8Confident81.4Confident20 Ų2062 Ų6214%0.1437%0.367CS..  trans-133.8134.1178.8159.70000108.8K141 N159 D162K141-S231 PolarHBondContact NZ-OG 2.78Å; N159-S231 VanDerWaalsContact CG-CB 3.48Å; N159-S231 WeakPolarHBondContact OD1-CB 3.37Å; N159-S231 PolarHBondContact OD1-OG 3.42Å; D162-S231 PolarHBondContact OD1-OG 2.78Å
232T78.6Confident80.7Confident69 Ų6962.8 Ų62.842%0.42338%0.375SS..  trans-102.4150.8-167.667.90000112.7E234 E235 D236T232-E234 PolarHBondContact O-N 3.25Å; T232-E235 WeakPolarHBondContact CB-OE2 3.42Å; T232-E235 WeakPolarHBondContact CG2-OE2 3.5Å; T232-E235 PolarHBondContact N-OE2 3.42Å; T232-E235 WeakPolarHBondContact O-CA 3.48Å; T232-E235 WeakPolarHBondContact O-CB 3.47Å; T232-E235 PolarHBondContact O-N 2.98Å; T232-E235 WeakPolarHBondContact OG1-CG 3.21Å; T232-E235 PolarHBondContact OG1-N 3.03Å; T232-E235 PolarHBondContact OG1-OE2 2.66Å; T232-D236 PolarHBondContact O-N 3.17Å
233S74.9Confident80.1Confident61 Ų6162.2 Ų62.243%0.42737%0.372SS..Hα-helixtrans-67.9-7.1177.694.50000114.6K143 D236 S237K143-S233 VanDerWaalsContact NZ-CB 3.35Å; K143-S233 PolarHBondContact NZ-O 3.41Å; K143-S233 PolarHBondContact NZ-OG 2.95Å; S233-D236 WeakPolarHBondContact CA-OD2 3.4Å; S233-S237 PolarHBondContact O-N 3.07Å; S233-S237 PolarHBondContact O-OG 2.86Å
234E76.8Confident79.5Confident118 Ų11863.7 Ų63.755%0.55138%0.378SS*.Hα-helixtrans-80.3-32.3166.8-70-56.7121.700111.7T232 S237 K238T232-E234 PolarHBondContact O-N 3.25Å; E234-S237 PolarHBondContact O-N 3.37Å; E234-K238 VanDerWaalsContact O-CG 3.26Å; E234-K238 WeakPolarHBondContact O-CG 3.48Å; E234-K238 PolarHBondContact O-N 3.14Å
235E76Confident79.6Confident79 Ų7958.1 Ų58.137%0.36934%0.342SS..Hα-helixtrans-73.1-33.3171.8-70.4158.2129.500111.9K141 T232 S237 K238 A239K141-E235 VanDerWaalsContact CE-C 3.48Å; T232-E235 WeakPolarHBondContact CB-OE2 3.42Å; T232-E235 WeakPolarHBondContact CG2-OE2 3.5Å; T232-E235 PolarHBondContact N-OE2 3.42Å; T232-E235 WeakPolarHBondContact O-CA 3.48Å; T232-E235 WeakPolarHBondContact O-CB 3.47Å; T232-E235 PolarHBondContact O-N 2.98Å; T232-E235 WeakPolarHBondContact OG1-CG 3.21Å; T232-E235 PolarHBondContact OG1-N 3.03Å; T232-E235 PolarHBondContact OG1-OE2 2.66Å; E235-S237 PolarHBondContact O-N 3.46Å; E235-K238 HydrophobicContact CG-CD 4.4Å; E235-K238 PolarHBondContact O-N 2.89Å; E235-A239 WeakPolarHBondContact O-CB 3.22Å; E235-A239 PolarHBondContact O-N 2.97Å
236D72.3Confident79.8Confident15 Ų1555.6 Ų55.68%0.0833%0.331CS..Hα-helixtrans-61.3-37.4167.1-52.2-22.7000111.4K141 K143 T232 S233 A239 D240K141-D236 IonicContact NZ-OD1 2.85Å; K141-D236 PolarHBondContact NZ-OD1 2.85Å; K143-D236 HydrophobicContact CB-CB 3.87Å; K143-D236 HydrophobicContact CD-CB 4.35Å; K143-D236 HydrophobicContact CG-CB 4.34Å; T232-D236 PolarHBondContact O-N 3.17Å; S233-D236 WeakPolarHBondContact CA-OD2 3.4Å; D236-A239 PolarHBondContact O-N 3.02Å; D236-D240 WeakPolarHBondContact O-CB 3.27Å; D236-D240 PolarHBondContact O-N 2.86Å
237S76.1Confident80Confident44 Ų4453 Ų5331%0.30831%0.314SS..Hα-helixtrans-75.3-32.1-178.9-55.90000111.7K143 S233 E234 E235 A241K143-S237 WeakPolarHBondContact CD-OG 3.29Å; K143-S237 PolarHBondContact NZ-OG 3.38Å; S233-S237 PolarHBondContact O-N 3.07Å; S233-S237 PolarHBondContact O-OG 2.86Å; E234-S237 PolarHBondContact O-N 3.37Å; E235-S237 PolarHBondContact O-N 3.46Å; S237-A241 PolarHBondContact O-N 2.84Å
238K77.1Confident80.1Confident134 Ų13447.6 Ų47.658%0.58328%0.276SS*.Hα-helixtrans-68.2-42167.1-68.7162.9-164.2162.40111.2E234 E235 A241 S242E234-K238 VanDerWaalsContact O-CG 3.26Å; E234-K238 WeakPolarHBondContact O-CG 3.48Å; E234-K238 PolarHBondContact O-N 3.14Å; E235-K238 HydrophobicContact CG-CD 4.4Å; E235-K238 PolarHBondContact O-N 2.89Å; K238-A241 WeakPolarHBondContact O-CB 3.38Å; K238-A241 PolarHBondContact O-N 2.97Å; K238-A241 VanDerWaalsContact O-N 3.11Å; K238-S242 PolarHBondContact O-N 3.18Å; K238-S242 PolarHBondContact O-OG 3.11Å
239A68.6Low80.1Confident11 Ų1149.7 Ų49.79%0.09128%0.284CS..Hα-helixtrans-61.4-46.3175.300000111.1K141 E235 D236 A241 S242 N243K141-A239 HydrophobicContact CB-CB 4.48Å; K141-A239 HydrophobicContact CD-CB 3.95Å; K141-A239 HydrophobicContact CG-CB 3.9Å; E235-A239 WeakPolarHBondContact O-CB 3.22Å; E235-A239 PolarHBondContact O-N 2.97Å; D236-A239 PolarHBondContact O-N 3.02Å; A239-A241 PolarHBondContact O-N 3.32Å; A239-S242 PolarHBondContact O-N 2.82Å; A239-S242 VanDerWaalsContact O-N 3.1Å; A239-S242 PolarHBondContact O-OG 2.78Å; A239-N243 WeakPolarHBondContact O-CB 3.1Å; A239-N243 PolarHBondContact O-N 2.91Å; A239-N243 PolarHBondContact O-ND2 3.49Å; A239-N243 PolarHBondContact O-OD1 2.96Å
240D71.1Confident79.9Confident18 Ų1846.8 Ų46.810%0.09626%0.261CS..Hα-helixtrans-56.1-21.6173.5-9721000114.4K143 R144 N145 D236 K265K143-D240 PolarHBondContact N-OD1 3.09Å; R144-D240 WeakPolarHBondContact CA-OD2 3.3Å; R144-D240 VanDerWaalsContact CB-OD2 3.28Å; R144-D240 WeakPolarHBondContact CB-OD2 3.36Å; R144-D240 PolarHBondContact N-OD1 3.06Å; R144-D240 PolarHBondContact N-OD2 2.94Å; N145-D240 PolarHBondContact N-OD1 2.87Å; N145-D240 PolarHBondContact ND2-O 3.13Å; D236-D240 WeakPolarHBondContact O-CB 3.27Å; D236-D240 PolarHBondContact O-N 2.86Å; D240-K265 PolarHBondContact O-NZ 2.8Å
241A70.9Confident79.4Confident59 Ų5941.7 Ų41.749%0.48824%0.24SC..Hα-helixtrans-88.5-44.6173.800000112.5S237 K238 A239 N243 S244S237-A241 PolarHBondContact O-N 2.84Å; K238-A241 WeakPolarHBondContact O-CB 3.38Å; K238-A241 PolarHBondContact O-N 2.97Å; K238-A241 VanDerWaalsContact O-N 3.11Å; A239-A241 PolarHBondContact O-N 3.32Å; A241-N243 VanDerWaalsContact C-N 3.3Å; A241-N243 PolarHBondContact O-N 3.24Å; A241-S244 PolarHBondContact O-OG 3.3Å; A241-S244 VanDerWaalsContact O-OG 3.06Å
242S68.9Low78.9Confident55 Ų5542.6 Ų42.639%0.38524%0.243SC..Hα-helixtrans-75.8-14.917657.40000114.3K238 A239 S244 N286K238-S242 PolarHBondContact O-N 3.18Å; K238-S242 PolarHBondContact O-OG 3.11Å; A239-S242 PolarHBondContact O-N 2.82Å; A239-S242 VanDerWaalsContact O-N 3.1Å; A239-S242 PolarHBondContact O-OG 2.78Å; S242-S244 PolarHBondContact O-N 3.3Å; S242-N286 PolarHBondContact O-ND2 2.87Å; S242-N286 VanDerWaalsContact O-ND2 3.13Å
243N71.3Confident78.3Confident10 Ų1043.4 Ų43.45%0.05326%0.257CS..THydrogen-bonded Turntrans-78.811.3175-72.1-7.6000113.1K141 N145 R147 A239 A241 A245K141-N243 PolarHBondContact O-ND2 3.07Å; N145-N243 HydrophobicContact CB-CB 4.39Å; N145-N243 WeakPolarHBondContact O-CB 3.18Å; N145-N243 PolarHBondContact O-ND2 2.86Å; R147-N243 HydrophobicContact CB-CB 4.44Å; R147-N243 HydrophobicContact CG-CB 3.56Å; A239-N243 WeakPolarHBondContact O-CB 3.1Å; A239-N243 PolarHBondContact O-N 2.91Å; A239-N243 PolarHBondContact O-ND2 3.49Å; A239-N243 PolarHBondContact O-OD1 2.96Å; A241-N243 VanDerWaalsContact C-N 3.3Å; A241-N243 PolarHBondContact O-N 3.24Å; N243-A245 PolarHBondContact O-N 2.57Å
244S76.8Confident77.6Confident55 Ų5545.4 Ų45.439%0.38527%0.267SS..  trans-83100.2171.761.40000111.9A241 S242A241-S244 PolarHBondContact O-OG 3.3Å; A241-S244 VanDerWaalsContact O-OG 3.06Å; S242-S244 PolarHBondContact O-N 3.3Å
245A89.6Confident76.8Confident0 Ų043.7 Ų43.70%028%0.28CS..  trans-81.5148.6159.800000111.3N243 K265 S266 F268 L281 D282 N283 F341N243-A245 PolarHBondContact O-N 2.57Å; A245-K265 CarbonylContact O-C 3.58Å; A245-K265 WeakPolarHBondContact O-CA 3.26Å; A245-S266 PolarHBondContact O-N 2.81Å; A245-F268 HydrophobicContact CB-CE2 4.22Å; A245-F268 HydrophobicContact CB-CZ 3.89Å; A245-F268 VanDerWaalsContact O-CZ 3.32Å; A245-F268 WeakPolarHBondContact O-CZ 3.37Å; A245-L281 HydrophobicContact CB-CD2 3.79Å; A245-D282 CarbonylContact C-O 3.56Å; A245-D282 WeakPolarHBondContact CA-O 3.42Å; A245-D282 WeakPolarHBondContact CB-O 3.41Å; A245-N283 HydrophobicContact CB-CB 4.41Å; A245-F341 HydrophobicContact CB-CD1 3.57Å; A245-F341 HydrophobicContact CB-CE1 3.57Å; A245-F341 HydrophobicContact CB-CG 4.43Å; A245-F341 HydrophobicContact CB-CZ 4.42Å
246S93.6Very high76.3Confident13 Ų1342.6 Ų42.69%0.09129%0.285CS..EExtended strand (participates in β ladder)trans-106.3155.8167-90.40000110.5S263 E264 F268 D282S246-S263 WeakPolarHBondContact CA-O 3.24Å; S246-E264 PolarHBondContact OG-O 2.79Å; S246-F268 VanDerWaalsContact C-CZ 3.49Å; S246-D282 PolarHBondContact N-O 3.4Å; S246-D282 VanDerWaalsContact N-O 3.09Å; S246-D282 PolarHBondContact O-N 2.95Å
247L95Very high76.2Confident0 Ų045.1 Ų45.10%030%0.297CS..EExtended strand (participates in β ladder)trans-120.3131175-172.168.4000109.7V262 S263 F268 L272 L273 F279 L281 F342L247-V262 HydrophobicContact CB-CG2 4.11Å; L247-V262 HydrophobicContact CD2-CG2 3.97Å; L247-V262 HydrophobicContact CG-CG2 3.81Å; L247-V262 WeakPolarHBondContact O-CG2 3.43Å; L247-V262 PolarHBondContact O-N 2.84Å; L247-S263 PolarHBondContact N-O 2.96Å; L247-S263 PolarHBondContact O-N 3.09Å; L247-F268 HydrophobicContact CB-CD1 3.98Å; L247-F268 HydrophobicContact CB-CD2 4.38Å; L247-F268 HydrophobicContact CB-CE1 3.74Å; L247-F268 HydrophobicContact CB-CE2 4.17Å; L247-F268 HydrophobicContact CB-CG 4.29Å; L247-F268 HydrophobicContact CB-CZ 3.84Å; L247-F268 HydrophobicContact CD2-CB 4.48Å; L247-F268 HydrophobicContact CD2-CG 4.3Å; L247-L272 HydrophobicContact CD2-CB 3.86Å; L247-L272 HydrophobicContact CD2-CD1 4.12Å; L247-L273 HydrophobicContact CD1-CD2 4.44Å; L247-L273 HydrophobicContact CD2-CD2 4.45Å; L247-F279 HydrophobicContact CD1-CB 4.3Å; L247-F279 HydrophobicContact CG-CD1 4.42Å; L247-L281 HydrophobicContact CD1-CB 4.16Å; L247-L281 HydrophobicContact CD1-CG 4.39Å; L247-F342 HydrophobicContact CD2-CE1 4.43Å
248Y93.7Very high76.4Confident22 Ų2245.5 Ų45.59%0.08630%0.298CS..EExtended strand (participates in β ladder)trans-121.2134-179.5-65.1-106.1000109.9T260 K261 F279 I280 D282 F313 M317Y248-T260 CarbonylContact C-O 3.51Å; Y248-T260 WeakPolarHBondContact CA-O 3.19Å; Y248-K261 HydrophobicContact CD1-CB 3.83Å; Y248-K261 HydrophobicContact CD1-CG 4.26Å; Y248-K261 HydrophobicContact CE1-CB 3.72Å; Y248-K261 HydrophobicContact CE1-CG 4.04Å; Y248-K261 HydrophobicContact CE2-CG 4.4Å; Y248-K261 HydrophobicContact CG-CB 4.49Å; Y248-K261 WeakPolarHBondContact OH-CE 3.21Å; Y248-F279 CarbonylContact O-C 3.53Å; Y248-F279 WeakPolarHBondContact O-CA 3.49Å; Y248-F279 WeakPolarHBondContact O-CB 3.44Å; Y248-F279 WeakPolarHBondContact O-CD1 3.32Å; Y248-I280 PolarHBondContact N-O 2.92Å; Y248-I280 PolarHBondContact O-N 2.83Å; Y248-D282 HydrophobicContact CD2-CB 4.23Å; Y248-D282 HydrophobicContact CE2-CB 3.9Å; Y248-F313 HydrophobicContact CD1-CE2 4.12Å; Y248-F313 AromaticContact CD2-CE2 3.89Å; Y248-F313 HydrophobicContact CD2-CE2 3.89Å; Y248-F313 AromaticContact CD2-CZ 3.84Å; Y248-F313 HydrophobicContact CD2-CZ 3.84Å; Y248-F313 HydrophobicContact CE1-CE2 4.08Å; Y248-F313 AromaticContact CE2-CE2 3.88Å; Y248-F313 HydrophobicContact CE2-CE2 3.88Å; Y248-F313 AromaticContact CE2-CZ 3.61Å; Y248-F313 HydrophobicContact CE2-CZ 3.61Å; Y248-F313 HydrophobicContact CG-CE2 4.03Å; Y248-F313 HydrophobicContact CG-CZ 4.45Å; Y248-F313 AromaticContact CZ-CE2 3.97Å; Y248-M317 WeakPolarHBondContact OH-CE 3.43Å
249K90.5Very high76.9Confident60 Ų6041 Ų4126%0.26128%0.281SS..EExtended strand (participates in β ladder)trans-81136.1161.6170.8167.9172.4165.40108.6T259 T260 V262 D277 F279K249-T259 CarbonylContact O-C 3.57Å; K249-T259 WeakPolarHBondContact O-CA 3.39Å; K249-T260 PolarHBondContact N-O 3.49Å; K249-T260 PolarHBondContact O-N 2.96Å; K249-V262 HydrophobicContact CB-CG1 3.63Å; K249-D277 HydrophobicContact CD-CB 4.36Å; K249-D277 WeakPolarHBondContact CE-OD1 3.17Å; K249-D277 WeakPolarHBondContact CE-OD2 3.32Å; K249-D277 IonicContact NZ-OD1 2.62Å; K249-D277 PolarHBondContact NZ-OD1 3.12Å; K249-D277 IonicContact NZ-OD2 2.7Å; K249-D277 PolarHBondContact NZ-OD2 2.83Å; K249-F279 HydrophobicContact CB-CD1 3.97Å; K249-F279 HydrophobicContact CB-CE1 3.65Å; K249-F279 HydrophobicContact CB-CZ 4.35Å; K249-F279 HydrophobicContact CG-CE1 4.21Å; K249-F279 HydrophobicContact CG-CZ 4.45Å
250V85.3Confident77.9Confident2 Ų244.6 Ų44.61%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-90.6148.2165.6-166.20000108.9M257 T258 T259 C278 I280 M309V250-M257 HydrophobicContact CG1-SD 3.95Å; V250-T258 CarbonylContact C-O 3.57Å; V250-T258 WeakPolarHBondContact CA-O 3.33Å; V250-T259 HydrophobicContact CG2-CG2 4.49Å; V250-C278 HydrophobicContact CB-CB 4.49Å; V250-C278 PolarHBondContact N-O 3.31Å; V250-I280 HydrophobicContact CG2-CD1 4.05Å; V250-I280 HydrophobicContact CG2-CG1 3.8Å; V250-M309 HydrophobicContact CB-CE 4.34Å; V250-M309 HydrophobicContact CB-SD 4.14Å; V250-M309 HydrophobicContact CG1-CE 3.8Å; V250-M309 HydrophobicContact CG1-CG 4.19Å; V250-M309 HydrophobicContact CG1-SD 3.82Å; V250-M309 HydrophobicContact CG2-SD 3.86Å
251S78.9Confident79Confident30 Ų3047.8 Ų47.821%0.2132%0.315CS..EExtended strand (participates in β ladder)trans-151.8135.6167.1-170.20000111.2A253 T258 E302S251-A253 WeakPolarHBondContact OG-CB 3.39Å; S251-A253 PolarHBondContact OG-N 3.5Å; S251-T258 PolarHBondContact N-O 3.26Å; S251-T258 PolarHBondContact O-N 3.08Å; S251-T258 PolarHBondContact O-OG1 3.47Å; S251-E302 WeakPolarHBondContact CA-OE1 3.5Å
252D70.6Confident80Confident40 Ų4047.7 Ų47.721%0.21431%0.309CS..  trans-89.1-5.7173.259.418.4000114.4T254 G255 M257 N299D252-T254 PolarHBondContact O-N 2.85Å; D252-G255 PolarHBondContact O-N 3.38Å; D252-M257 HydrophobicContact CB-CE 3.71Å; D252-M257 HydrophobicContact CB-SD 3.93Å; D252-N299 PolarHBondContact OD2-ND2 3.06Å
253A66.7Low81.1Confident86 Ų8646.4 Ų46.471%0.71130%0.3SS*.THydrogen-bonded Turntrans-60.9-3.9-166.200000116.2S251S251-A253 WeakPolarHBondContact OG-CB 3.39Å; S251-A253 PolarHBondContact OG-N 3.5Å
254T60.5Low81.9Confident103 Ų10352.6 Ų52.663%0.63233%0.329SS*.THydrogen-bonded Turntrans-95.4-0.5172.865.60000113.7D252 A256D252-T254 PolarHBondContact O-N 2.85Å; T254-A256 PolarHBondContact OG1-N 3.08Å; T254-A256 PolarHBondContact OG1-O 3.01Å
255G60.1Low82.4Confident81 Ų8154.7 Ų54.784%0.83533%0.331SS*.SBendtrans81.5-0.3-167.200000113.7D252D252-G255 PolarHBondContact O-N 3.38Å
256A65.4Low82.3Confident56 Ų5655 Ų5546%0.46333%0.332SS..SBendtrans-135.5147.2170.700000109.7T254 T258T254-A256 PolarHBondContact OG1-N 3.08Å; T254-A256 PolarHBondContact OG1-O 3.01Å; A256-T258 PolarHBondContact O-N 2.95Å
257M70.1Confident82Confident68 Ų6856.9 Ų56.934%0.33534%0.344SS..  trans-66.2119.8173.5-73.4-71.2169.200110.1V250 D252 E302 A305 M309V250-M257 HydrophobicContact CG1-SD 3.95Å; D252-M257 HydrophobicContact CB-CE 3.71Å; D252-M257 HydrophobicContact CB-SD 3.93Å; M257-E302 HydrophobicContact CE-CB 4.46Å; M257-E302 HydrophobicContact CE-CG 3.91Å; M257-E302 HydrophobicContact SD-CG 4.33Å; M257-A305 HydrophobicContact CE-CB 4.02Å; M257-M309 HydrophobicContact CE-CE 4.09Å; M257-M309 HydrophobicContact SD-CE 3.75Å
258T80.4Confident81.9Confident52 Ų5257 Ų5732%0.31935%0.345SS..EExtended strand (participates in β ladder)trans-124.9145.9179.859.40000111.1V250 S251 A256V250-T258 CarbonylContact C-O 3.57Å; V250-T258 WeakPolarHBondContact CA-O 3.33Å; S251-T258 PolarHBondContact N-O 3.26Å; S251-T258 PolarHBondContact O-N 3.08Å; S251-T258 PolarHBondContact O-OG1 3.47Å; A256-T258 PolarHBondContact O-N 2.95Å
259T87.2Confident81.8Confident39 Ų3957.6 Ų57.624%0.23936%0.355CS..EExtended strand (participates in β ladder)trans-112.1111.3178.261.40000110.8K249 V250 I280 F313 Q316K249-T259 CarbonylContact O-C 3.57Å; K249-T259 WeakPolarHBondContact O-CA 3.39Å; V250-T259 HydrophobicContact CG2-CG2 4.49Å; T259-I280 HydrophobicContact CG2-CD1 4.13Å; T259-F313 HydrophobicContact CG2-CD2 4.22Å; T259-Q316 PolarHBondContact OG1-NE2 3.24Å
260T89.5Confident81.7Confident88 Ų8858.1 Ų58.154%0.5436%0.357SS..EExtended strand (participates in β ladder)trans-97.3123.3174.1-59.70000109.7Y248 K249 V262Y248-T260 CarbonylContact C-O 3.51Å; Y248-T260 WeakPolarHBondContact CA-O 3.19Å; K249-T260 PolarHBondContact N-O 3.49Å; K249-T260 PolarHBondContact O-N 2.96Å; T260-V262 PolarHBondContact O-N 3.31Å
261K93.2Very high81.9Confident84 Ų8465.3 Ų65.337%0.36539%0.391SS..EExtended strand (participates in β ladder)trans-68.3120.4176.1-166.5-166.9-74.8-168.10109.8Y248 E264Y248-K261 HydrophobicContact CD1-CB 3.83Å; Y248-K261 HydrophobicContact CD1-CG 4.26Å; Y248-K261 HydrophobicContact CE1-CB 3.72Å; Y248-K261 HydrophobicContact CE1-CG 4.04Å; Y248-K261 HydrophobicContact CE2-CG 4.4Å; Y248-K261 HydrophobicContact CG-CB 4.49Å; Y248-K261 WeakPolarHBondContact OH-CE 3.21Å; K261-E264 HydrophobicContact CD-CB 4.32Å; K261-E264 HydrophobicContact CD-CG 3.8Å; K261-E264 IonicContact NZ-OE1 2.67Å; K261-E264 PolarHBondContact NZ-OE1 3.27Å
262V93.6Very high82.5Confident57 Ų5766.5 Ų66.535%0.34539%0.394SS..EExtended strand (participates in β ladder)trans-103.4-17.8178.6-64.90000113.1L247 K249 T260 F279L247-V262 HydrophobicContact CB-CG2 4.11Å; L247-V262 HydrophobicContact CD2-CG2 3.97Å; L247-V262 HydrophobicContact CG-CG2 3.81Å; L247-V262 WeakPolarHBondContact O-CG2 3.43Å; L247-V262 PolarHBondContact O-N 2.84Å; K249-V262 HydrophobicContact CB-CG1 3.63Å; T260-V262 PolarHBondContact O-N 3.31Å; V262-F279 HydrophobicContact CG2-CD1 4.26Å; V262-F279 HydrophobicContact CG2-CE1 4.18Å
263S92.2Very high83.5Confident29 Ų2965.2 Ų65.220%0.20339%0.387CS..EExtended strand (participates in β ladder)trans-151.3135.8168.5-164.20000111.8S246 L247S246-S263 WeakPolarHBondContact CA-O 3.24Å; L247-S263 PolarHBondContact N-O 2.96Å; L247-S263 PolarHBondContact O-N 3.09Å
264E87.5Confident84.5Confident140 Ų14064.4 Ų64.465%0.65437%0.373SS*.SBendtrans-83-29-177.9-54-13798.100114.3S246 K261S246-E264 PolarHBondContact OG-O 2.79Å; K261-E264 HydrophobicContact CD-CB 4.32Å; K261-E264 HydrophobicContact CD-CG 3.8Å; K261-E264 IonicContact NZ-OE1 2.67Å; K261-E264 PolarHBondContact NZ-OE1 3.27Å
265K87.6Confident85.7Confident99 Ų9967.7 Ų67.743%0.4337%0.374SS..SBendtrans-149.5123.7-172.7-171162.2-176.7163.40112.2D240 A245D240-K265 PolarHBondContact O-NZ 2.8Å; A245-K265 CarbonylContact O-C 3.58Å; A245-K265 WeakPolarHBondContact O-CA 3.26Å
266S86Confident86.8Confident5 Ų568.2 Ų68.24%0.03536%0.357CS..SBendtrans-59.9153.9168.279.60000112.1R147 A245R147-S266 PolarHBondContact NH2-OG 3.32Å; A245-S266 PolarHBondContact O-N 2.81Å
267P88.9Confident87.7Confident53 Ų5366.8 Ų66.834%0.34434%0.342SS..SBendcis-81.9132.87.331.4-34.3000113.6F341 K343P267-F341 CarbonylContact C-O 3.49Å; P267-F341 WeakPolarHBondContact CA-O 3.18Å; P267-K343 HydrophobicContact CB-CG 3.84Å; P267-K343 HydrophobicContact CG-CG 3.92Å; P267-K343 WeakPolarHBondContact O-CE 3.48Å
268F92.4Very high88.6Confident2 Ų263.5 Ų63.51%0.00933%0.326CS..BIsolated β-bridgetrans-77.8161.8-176.1-50.1-55.5000112.3A245 S246 L247 L272 L281 F341 F342 K343A245-F268 HydrophobicContact CB-CE2 4.22Å; A245-F268 HydrophobicContact CB-CZ 3.89Å; A245-F268 VanDerWaalsContact O-CZ 3.32Å; A245-F268 WeakPolarHBondContact O-CZ 3.37Å; S246-F268 VanDerWaalsContact C-CZ 3.49Å; L247-F268 HydrophobicContact CB-CD1 3.98Å; L247-F268 HydrophobicContact CB-CD2 4.38Å; L247-F268 HydrophobicContact CB-CE1 3.74Å; L247-F268 HydrophobicContact CB-CE2 4.17Å; L247-F268 HydrophobicContact CB-CG 4.29Å; L247-F268 HydrophobicContact CB-CZ 3.84Å; L247-F268 HydrophobicContact CD2-CB 4.48Å; L247-F268 HydrophobicContact CD2-CG 4.3Å; F268-L272 HydrophobicContact CB-CD1 4.29Å; F268-L281 HydrophobicContact CD2-CD1 4.42Å; F268-L281 HydrophobicContact CE2-CD1 3.98Å; F268-L281 HydrophobicContact CE2-CD2 4.27Å; F268-L281 HydrophobicContact CE2-CG 3.83Å; F268-F341 HydrophobicContact CD2-CB 3.97Å; F268-F341 VanDerWaalsContact CD2-O 3.24Å; F268-F341 WeakPolarHBondContact CD2-O 3.38Å; F268-F341 HydrophobicContact CE2-CB 3.87Å; F268-F341 PolarHBondContact N-O 3Å; F268-F342 HydrophobicContact CB-CD1 3.64Å; F268-F342 HydrophobicContact CB-CE1 3.71Å; F268-F342 HydrophobicContact CB-CG 4.32Å; F268-F342 HydrophobicContact CB-CZ 4.45Å; F268-F342 HydrophobicContact CD2-CD1 4.42Å; F268-F342 HydrophobicContact CD2-CE1 4.1Å; F268-F342 HydrophobicContact CD2-CE2 4.24Å; F268-F342 AromaticContact CD2-CZ 3.99Å; F268-F342 HydrophobicContact CD2-CZ 3.99Å; F268-F342 HydrophobicContact CG-CE1 4.35Å; F268-F342 CarbonylContact O-C 3.5Å; F268-F342 WeakPolarHBondContact O-CA 3.14Å; F268-K343 PolarHBondContact O-N 3.42Å
269A90.9Very high89.2Confident35 Ų3561.2 Ų61.229%0.28931%0.312SS..PPolyproline II helixtrans-85.1138.3166.500000109.1E271 L272A269-E271 WeakPolarHBondContact CB-OE2 3.38Å; A269-E271 PolarHBondContact O-N 2.95Å; A269-L272 HydrophobicContact CB-CD1 4.42Å; A269-L272 HydrophobicContact CB-CG 4.26Å; A269-L272 WeakPolarHBondContact O-CB 3.28Å; A269-L272 PolarHBondContact O-N 2.8Å
270K88.9Confident89.6Confident71 Ų7159.3 Ų59.331%0.30930%0.3SS..G310 helixtrans-64.5-29.4-177.4-171.3178.3-176.7-1740111.4L272 L273 W345 N346K270-L272 PolarHBondContact O-N 3.39Å; K270-L273 WeakPolarHBondContact O-CB 3.4Å; K270-L273 PolarHBondContact O-N 3.13Å; K270-W345 HydrophobicContact CD-CD2 4.07Å; K270-W345 HydrophobicContact CD-CE3 4.08Å; K270-W345 HydrophobicContact CD-CZ3 4.36Å; K270-W345 HydrophobicContact CG-CD2 4.48Å; K270-W345 HydrophobicContact CG-CE3 3.98Å; K270-W345 HydrophobicContact CG-CH2 4.38Å; K270-W345 HydrophobicContact CG-CZ3 3.94Å; K270-N346 PolarHBondContact NZ-O 2.84Å
271E90.3Very high89.9Confident154 Ų15455.2 Ų55.272%0.7228%0.275SS*.G310 helixtrans-64-15.2178.3-58.668.2-148.300113.1A269 L273A269-E271 WeakPolarHBondContact CB-OE2 3.38Å; A269-E271 PolarHBondContact O-N 2.95Å; E271-L273 VanDerWaalsContact C-N 3.27Å
272L91.3Very high89.9Confident54 Ų5451.7 Ų51.728%0.28326%0.26SS..G310 helixtrans-70.9-23.1172.1-65.1173.4000112.5L247 F268 A269 K270 V274 F279L247-L272 HydrophobicContact CD2-CB 3.86Å; L247-L272 HydrophobicContact CD2-CD1 4.12Å; F268-L272 HydrophobicContact CB-CD1 4.29Å; A269-L272 HydrophobicContact CB-CD1 4.42Å; A269-L272 HydrophobicContact CB-CG 4.26Å; A269-L272 WeakPolarHBondContact O-CB 3.28Å; A269-L272 PolarHBondContact O-N 2.8Å; K270-L272 PolarHBondContact O-N 3.39Å; L272-V274 VanDerWaalsContact C-N 3.28Å; L272-V274 PolarHBondContact O-N 3.44Å; L272-F279 WeakPolarHBondContact O-CE1 3.47Å; L272-F279 WeakPolarHBondContact O-CZ 3.33Å
273L90.6Very high89.8Confident14 Ų1450 Ų507%0.07325%0.249CC..SBendtrans-81.775.3175.3-62.7178.1000110.1L247 K270 E271 R275 F279 W292 F338 F342 W345L247-L273 HydrophobicContact CD1-CD2 4.44Å; L247-L273 HydrophobicContact CD2-CD2 4.45Å; K270-L273 WeakPolarHBondContact O-CB 3.4Å; K270-L273 PolarHBondContact O-N 3.13Å; E271-L273 VanDerWaalsContact C-N 3.27Å; L273-R275 PolarHBondContact O-N 2.96Å; L273-F279 HydrophobicContact CD2-CB 3.96Å; L273-F279 HydrophobicContact CD2-CD1 4.36Å; L273-F279 HydrophobicContact CD2-CD2 3.89Å; L273-F279 HydrophobicContact CD2-CG 3.82Å; L273-W292 HydrophobicContact CB-CD2 4.48Å; L273-W292 HydrophobicContact CB-CE3 4.42Å; L273-W292 HydrophobicContact CB-CH2 3.72Å; L273-W292 HydrophobicContact CB-CZ2 3.86Å; L273-W292 HydrophobicContact CB-CZ3 4.05Å; L273-W292 HydrophobicContact CD1-CD2 4.3Å; L273-W292 HydrophobicContact CD1-CG 4.45Å; L273-W292 HydrophobicContact CD1-CZ2 4.27Å; L273-W292 HydrophobicContact CD2-CD2 4.11Å; L273-W292 HydrophobicContact CD2-CE3 4.19Å; L273-W292 HydrophobicContact CD2-CG 4.32Å; L273-F338 HydrophobicContact CD1-CE1 3.92Å; L273-F338 HydrophobicContact CD1-CZ 3.94Å; L273-F338 HydrophobicContact CD2-CZ 4.47Å; L273-F342 HydrophobicContact CD1-CE1 3.78Å; L273-F342 HydrophobicContact CD1-CE2 4.46Å; L273-F342 HydrophobicContact CD1-CZ 3.68Å; L273-F342 HydrophobicContact CD2-CE1 4.43Å; L273-F342 HydrophobicContact CD2-CZ 4.24Å; L273-F342 HydrophobicContact CG-CE1 3.89Å; L273-F342 HydrophobicContact CG-CZ 4.05Å; L273-W345 HydrophobicContact CD1-CH2 3.74Å; L273-W345 HydrophobicContact CD1-CZ3 3.76Å
274V88.6Confident89.5Confident68 Ų6848.8 Ų48.841%0.41224%0.241SC..  trans-58.5131.2175.2179.40000109.4L272 D276 D277 F279 W292L272-V274 VanDerWaalsContact C-N 3.28Å; L272-V274 PolarHBondContact O-N 3.44Å; V274-D276 PolarHBondContact O-N 3.29Å; V274-D276 VanDerWaalsContact O-N 3.11Å; V274-D277 HydrophobicContact CB-CB 4.4Å; V274-D277 WeakPolarHBondContact CB-OD2 3.43Å; V274-D277 WeakPolarHBondContact CG1-OD2 3.42Å; V274-D277 PolarHBondContact O-N 3.05Å; V274-F279 HydrophobicContact CB-CE2 4.26Å; V274-F279 HydrophobicContact CB-CZ 4.06Å; V274-F279 HydrophobicContact CG2-CZ 4.28Å; V274-W292 WeakPolarHBondContact O-CZ3 3.28Å
275R84.8Confident89.2Confident173 Ų17345.9 Ų45.965%0.65324%0.241SC*.THydrogen-bonded Turntrans-64.7-22.3-168.6-60.3-164.2174.2177.7-3114.5L273 G294 G295L273-R275 PolarHBondContact O-N 2.96Å; R275-G294 CarbonylContact O-C 3.49Å; R275-G294 VanDerWaalsContact O-CA 3.28Å; R275-G294 WeakPolarHBondContact O-CA 3.36Å; R275-G295 PolarHBondContact O-N 3.33Å
276D82.6Confident88.9Confident91 Ų9142.7 Ų42.749%0.48723%0.229SC..THydrogen-bonded Turntrans-109.820.2-170.5-49.8-49.7000112.4V274 G297 A298V274-D276 PolarHBondContact O-N 3.29Å; V274-D276 VanDerWaalsContact O-N 3.11Å; D276-G297 VanDerWaalsContact OD1-CA 3.23Å; D276-G297 WeakPolarHBondContact OD1-CA 3.43Å; D276-G297 PolarHBondContact OD1-N 3.48Å; D276-A298 VanDerWaalsContact C-CB 3.49Å; D276-A298 VanDerWaalsContact O-CA 3.3Å; D276-A298 WeakPolarHBondContact O-CA 3.36Å
277D85.6Confident88.7Confident26 Ų2643.7 Ų43.714%0.13924%0.239CC..SBendtrans-131.2161.4177.6-64.9-50.1000111.2K249 V274 F279 G294K249-D277 HydrophobicContact CD-CB 4.36Å; K249-D277 WeakPolarHBondContact CE-OD1 3.17Å; K249-D277 WeakPolarHBondContact CE-OD2 3.32Å; K249-D277 IonicContact NZ-OD1 2.62Å; K249-D277 PolarHBondContact NZ-OD1 3.12Å; K249-D277 IonicContact NZ-OD2 2.7Å; K249-D277 PolarHBondContact NZ-OD2 2.83Å; V274-D277 HydrophobicContact CB-CB 4.4Å; V274-D277 WeakPolarHBondContact CB-OD2 3.43Å; V274-D277 WeakPolarHBondContact CG1-OD2 3.42Å; V274-D277 PolarHBondContact O-N 3.05Å; D277-F279 HydrophobicContact CB-CD2 4.4Å; D277-F279 HydrophobicContact CB-CE2 3.6Å; D277-F279 HydrophobicContact CB-CZ 3.97Å; D277-G294 WeakPolarHBondContact O-CA 3.41Å; D277-G294 PolarHBondContact O-N 3.08Å
278C89Confident88.7Confident0 Ų042.2 Ų42.20%023%0.228CC..  trans-101.1147.9166.9-60.40000112.2V250 W292 E302 M309V250-C278 HydrophobicContact CB-CB 4.49Å; V250-C278 PolarHBondContact N-O 3.31Å; C278-W292 WeakPolarHBondContact CA-O 3.09Å; C278-E302 HydrophobicContact CB-CB 4.45Å; C278-E302 PolarHBondContact N-OE2 3.02Å; C278-E302 PolarHBondContact SG-OE2 2.78Å; C278-M309 HydrophobicContact CB-CE 4.35Å; C278-M309 HydrophobicContact CB-SD 4.49Å
279F93Very high88.7Confident3 Ų342.1 Ų42.11%0.01323%0.227CC..EExtended strand (participates in β ladder)trans-132.3147.7-177.3-66.5-97.2000112.6L247 Y248 K249 V262 L272 L273 V274 D277 V291 W292L247-F279 HydrophobicContact CD1-CB 4.3Å; L247-F279 HydrophobicContact CG-CD1 4.42Å; Y248-F279 CarbonylContact O-C 3.53Å; Y248-F279 WeakPolarHBondContact O-CA 3.49Å; Y248-F279 WeakPolarHBondContact O-CB 3.44Å; Y248-F279 WeakPolarHBondContact O-CD1 3.32Å; K249-F279 HydrophobicContact CB-CD1 3.97Å; K249-F279 HydrophobicContact CB-CE1 3.65Å; K249-F279 HydrophobicContact CB-CZ 4.35Å; K249-F279 HydrophobicContact CG-CE1 4.21Å; K249-F279 HydrophobicContact CG-CZ 4.45Å; V262-F279 HydrophobicContact CG2-CD1 4.26Å; V262-F279 HydrophobicContact CG2-CE1 4.18Å; L272-F279 WeakPolarHBondContact O-CE1 3.47Å; L272-F279 WeakPolarHBondContact O-CZ 3.33Å; L273-F279 HydrophobicContact CD2-CB 3.96Å; L273-F279 HydrophobicContact CD2-CD1 4.36Å; L273-F279 HydrophobicContact CD2-CD2 3.89Å; L273-F279 HydrophobicContact CD2-CG 3.82Å; V274-F279 HydrophobicContact CB-CE2 4.26Å; V274-F279 HydrophobicContact CB-CZ 4.06Å; V274-F279 HydrophobicContact CG2-CZ 4.28Å; D277-F279 HydrophobicContact CB-CD2 4.4Å; D277-F279 HydrophobicContact CB-CE2 3.6Å; D277-F279 HydrophobicContact CB-CZ 3.97Å; F279-V291 CarbonylContact O-C 3.36Å; F279-V291 WeakPolarHBondContact O-CA 3.19Å; F279-W292 HydrophobicContact CB-CB 4.48Å; F279-W292 AromaticContact CD2-CE3 3.74Å; F279-W292 HydrophobicContact CD2-CE3 3.74Å; F279-W292 AromaticContact CD2-CZ3 3.9Å; F279-W292 HydrophobicContact CD2-CZ3 3.9Å; F279-W292 HydrophobicContact CE2-CE3 4.42Å; F279-W292 HydrophobicContact CE2-CZ3 4.12Å; F279-W292 PolarHBondContact N-O 3.18Å; F279-W292 PolarHBondContact O-N 3.06Å
280I94.6Very high88.9Confident0 Ų040.4 Ų40.40%021%0.213CC..EExtended strand (participates in β ladder)trans-109.6121.6168.8-55.7178.4000108.9Y248 V250 T259 F290 V291 M309 F313Y248-I280 PolarHBondContact N-O 2.92Å; Y248-I280 PolarHBondContact O-N 2.83Å; V250-I280 HydrophobicContact CG2-CD1 4.05Å; V250-I280 HydrophobicContact CG2-CG1 3.8Å; T259-I280 HydrophobicContact CG2-CD1 4.13Å; I280-F290 CarbonylContact C-O 3.55Å; I280-F290 WeakPolarHBondContact CA-O 3.36Å; I280-V291 HydrophobicContact CG1-CG2 4.42Å; I280-M309 HydrophobicContact CD1-CB 4.27Å; I280-F313 HydrophobicContact CD1-CB 3.8Å; I280-F313 HydrophobicContact CD1-CD2 3.91Å; I280-F313 HydrophobicContact CD1-CG 3.86Å; I280-F313 HydrophobicContact CG2-CD1 3.93Å; I280-F313 HydrophobicContact CG2-CD2 4.47Å; I280-F313 HydrophobicContact CG2-CE1 3.99Å; I280-F313 HydrophobicContact CG2-CG 4.18Å; I280-F313 HydrophobicContact CG2-CZ 4.3Å
281L95.6Very high89.1Confident1 Ų137 Ų371%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-91.9110166.9-163166000108.2A245 L247 F268 N283 F290 F338 F341 F342A245-L281 HydrophobicContact CB-CD2 3.79Å; L247-L281 HydrophobicContact CD1-CB 4.16Å; L247-L281 HydrophobicContact CD1-CG 4.39Å; F268-L281 HydrophobicContact CD2-CD1 4.42Å; F268-L281 HydrophobicContact CE2-CD1 3.98Å; F268-L281 HydrophobicContact CE2-CD2 4.27Å; F268-L281 HydrophobicContact CE2-CG 3.83Å; L281-N283 HydrophobicContact CD2-CB 4.29Å; L281-F290 HydrophobicContact CB-CB 4.13Å; L281-F290 HydrophobicContact CB-CD2 4.24Å; L281-F290 HydrophobicContact CD2-CD2 4.1Å; L281-F290 PolarHBondContact N-O 3.43Å; L281-F290 PolarHBondContact O-N 3.03Å; L281-F338 HydrophobicContact CB-CD2 4.35Å; L281-F338 HydrophobicContact CB-CE2 3.95Å; L281-F338 HydrophobicContact CD1-CD2 3.61Å; L281-F338 HydrophobicContact CD1-CE2 3.58Å; L281-F338 HydrophobicContact CD1-CG 4.34Å; L281-F338 HydrophobicContact CD1-CZ 4.28Å; L281-F338 HydrophobicContact CG-CE2 4.44Å; L281-F341 HydrophobicContact CD1-CB 3.79Å; L281-F341 HydrophobicContact CD1-CD2 3.91Å; L281-F341 HydrophobicContact CD1-CG 4.03Å; L281-F341 HydrophobicContact CD2-CD1 4.42Å; L281-F341 HydrophobicContact CD2-CD2 3.95Å; L281-F341 HydrophobicContact CD2-CE2 4.21Å; L281-F341 HydrophobicContact CD2-CG 4.07Å; L281-F342 HydrophobicContact CD1-CE2 3.82Å; L281-F342 HydrophobicContact CD1-CZ 4.27Å
282D94.4Very high89.3Confident11 Ų1130 Ų306%0.05917%0.165CC..EExtended strand (participates in β ladder)trans-88109-179.8-18020.1000111.1A245 S246 Y248 G284 F313 M317 Y319A245-D282 CarbonylContact C-O 3.56Å; A245-D282 WeakPolarHBondContact CA-O 3.42Å; A245-D282 WeakPolarHBondContact CB-O 3.41Å; S246-D282 PolarHBondContact N-O 3.4Å; S246-D282 VanDerWaalsContact N-O 3.09Å; S246-D282 PolarHBondContact O-N 2.95Å; Y248-D282 HydrophobicContact CD2-CB 4.23Å; Y248-D282 HydrophobicContact CE2-CB 3.9Å; D282-G284 PolarHBondContact OD1-N 3.31Å; D282-F313 HydrophobicContact CB-CE1 3.76Å; D282-F313 HydrophobicContact CB-CZ 3.71Å; D282-M317 WeakPolarHBondContact OD2-CE 3.44Å; D282-Y319 WeakPolarHBondContact OD1-CE2 3.39Å; D282-Y319 PolarHBondContact OD1-OH 2.85Å; D282-Y319 PolarHBondContact OD2-OH 3.34Å
283N90.9Very high89.2Confident21 Ų2127.7 Ų27.711%0.11215%0.153CC..EExtended strand (participates in β ladder)trans-125.527.5165-179.347.7000109.6A245 L281 A285 N286 K288 F341A245-N283 HydrophobicContact CB-CB 4.41Å; L281-N283 HydrophobicContact CD2-CB 4.29Å; N283-A285 PolarHBondContact O-N 2.82Å; N283-A285 VanDerWaalsContact O-N 3.14Å; N283-N286 WeakPolarHBondContact O-CA 3.26Å; N283-N286 PolarHBondContact O-N 2.84Å; N283-N286 PolarHBondContact OD1-ND2 3.38Å; N283-K288 CarbonylContact C-O 3.56Å; N283-K288 WeakPolarHBondContact CA-O 3.41Å; N283-K288 VanDerWaalsContact CB-O 3.3Å; N283-K288 WeakPolarHBondContact CB-O 3.34Å; N283-K288 PolarHBondContact N-O 2.88Å; N283-K288 VanDerWaalsContact O-O 3.1Å; N283-F341 HydrophobicContact CB-CZ 4.06Å
284G85.1Confident88.9Confident4 Ų427.3 Ų27.34%0.04115%0.153CC..G310 helixtrans-63.2-24.2-169.800000114.2D282 N286 G287 K288 Y319D282-G284 PolarHBondContact OD1-N 3.31Å; G284-N286 PolarHBondContact O-N 3.01Å; G284-G287 PolarHBondContact O-N 2.88Å; G284-K288 PolarHBondContact N-O 2.84Å; G284-Y319 VanDerWaalsContact C-CE1 3.45Å
285A82.8Confident88.3Confident78 Ų7824.8 Ų24.865%0.64514%0.14SC*.G310 helixtrans-61.1-23.1169.800000113.7N283N283-A285 PolarHBondContact O-N 2.82Å; N283-A285 VanDerWaalsContact O-N 3.14Å
286N79.9Confident87.3Confident33 Ų3326.1 Ų26.118%0.17615%0.153CC..G310 helixtrans-104.415.3171.9-65.7-62.7000112.7K149 S242 N283 G284K149-N286 WeakPolarHBondContact CE-OD1 3.26Å; K149-N286 PolarHBondContact NZ-OD1 3Å; S242-N286 PolarHBondContact O-ND2 2.87Å; S242-N286 VanDerWaalsContact O-ND2 3.13Å; N283-N286 WeakPolarHBondContact O-CA 3.26Å; N283-N286 PolarHBondContact O-N 2.84Å; N283-N286 PolarHBondContact OD1-ND2 3.38Å; G284-N286 PolarHBondContact O-N 3.01Å
287G82.2Confident86.2Confident25 Ų2524.3 Ų24.326%0.25816%0.156SC..THydrogen-bonded Turntrans83.810.2172.100000116.1G284 T324 Q325G284-G287 PolarHBondContact O-N 2.88Å; G287-T324 CarbonylContact O-C 3.57Å; G287-T324 VanDerWaalsContact O-CA 3.3Å; G287-T324 WeakPolarHBondContact O-CA 3.48Å; G287-Q325 PolarHBondContact O-N 2.85Å
288K88.5Confident85.2Confident22 Ų2223.2 Ų23.210%0.09615%0.151CC..EExtended strand (participates in β ladder)trans-143136.4179.1-168.7162.2-174.2167.40112.5N283 G284 F290 Q325 E327N283-K288 CarbonylContact C-O 3.56Å; N283-K288 WeakPolarHBondContact CA-O 3.41Å; N283-K288 VanDerWaalsContact CB-O 3.3Å; N283-K288 WeakPolarHBondContact CB-O 3.34Å; N283-K288 PolarHBondContact N-O 2.88Å; N283-K288 VanDerWaalsContact O-O 3.1Å; G284-K288 PolarHBondContact N-O 2.84Å; K288-F290 HydrophobicContact CD-CE1 4.25Å; K288-F290 HydrophobicContact CD-CZ 3.88Å; K288-F290 HydrophobicContact CG-CE1 4.46Å; K288-F290 HydrophobicContact CG-CE2 4.15Å; K288-F290 HydrophobicContact CG-CZ 3.97Å; K288-Q325 WeakPolarHBondContact CA-O 3.1Å; K288-Q325 HydrophobicContact CB-CB 4.35Å; K288-Q325 HydrophobicContact CD-CB 4.25Å; K288-Q325 HydrophobicContact CG-CB 3.99Å; K288-E327 WeakPolarHBondContact CE-OE2 3.35Å; K288-E327 IonicContact NZ-OE2 3.3Å; K288-E327 PolarHBondContact NZ-OE2 2.76Å
289I93.8Very high84.3Confident0 Ų025.8 Ų25.80%017%0.165CC..EExtended strand (participates in β ladder)trans-124.5154.716963.6167.1000110.3A310 F313 I314 T324 Q325 V326 E327I289-A310 HydrophobicContact CD1-CB 4Å; I289-F313 HydrophobicContact CD1-CD1 4.14Å; I289-I314 HydrophobicContact CD1-CD1 3.92Å; I289-I314 HydrophobicContact CD1-CG1 3.75Å; I289-I314 HydrophobicContact CG1-CD1 4.45Å; I289-T324 HydrophobicContact CG1-CG2 4.26Å; I289-T324 HydrophobicContact CG2-CG2 4.34Å; I289-Q325 PolarHBondContact N-O 2.81Å; I289-V326 HydrophobicContact CD1-CG2 4.28Å; I289-V326 HydrophobicContact CG1-CG1 4.48Å; I289-V326 HydrophobicContact CG1-CG2 3.98Å; I289-V326 WeakPolarHBondContact O-CA 3.42Å; I289-E327 PolarHBondContact O-N 3.38Å
290F94.3Very high83.2Confident0 Ų031 Ų310%019%0.191CC..EExtended strand (participates in β ladder)trans-122.9138179-49.4-104.2000110.2I280 L281 K288 E327 L329 I337 F338 F341I280-F290 CarbonylContact C-O 3.55Å; I280-F290 WeakPolarHBondContact CA-O 3.36Å; L281-F290 HydrophobicContact CB-CB 4.13Å; L281-F290 HydrophobicContact CB-CD2 4.24Å; L281-F290 HydrophobicContact CD2-CD2 4.1Å; L281-F290 PolarHBondContact N-O 3.43Å; L281-F290 PolarHBondContact O-N 3.03Å; K288-F290 HydrophobicContact CD-CE1 4.25Å; K288-F290 HydrophobicContact CD-CZ 3.88Å; K288-F290 HydrophobicContact CG-CE1 4.46Å; K288-F290 HydrophobicContact CG-CE2 4.15Å; K288-F290 HydrophobicContact CG-CZ 3.97Å; F290-E327 CarbonylContact C-O 3.54Å; F290-E327 VanDerWaalsContact CA-O 3.22Å; F290-E327 WeakPolarHBondContact CA-O 3.36Å; F290-E327 HydrophobicContact CD1-CB 3.8Å; F290-E327 HydrophobicContact CD1-CG 4.14Å; F290-E327 HydrophobicContact CE1-CB 4.24Å; F290-E327 HydrophobicContact CE1-CG 4.46Å; F290-L329 HydrophobicContact CB-CD1 4.49Å; F290-L329 HydrophobicContact CD1-CD1 4.04Å; F290-I337 HydrophobicContact CZ-CB 4.43Å; F290-I337 HydrophobicContact CZ-CG2 3.98Å; F290-F338 HydrophobicContact CB-CD2 3.65Å; F290-F338 HydrophobicContact CB-CE2 4.03Å; F290-F338 HydrophobicContact CD1-CB 4.05Å; F290-F338 HydrophobicContact CD1-CD2 4.03Å; F290-F338 HydrophobicContact CD2-CD2 4.35Å; F290-F338 HydrophobicContact CE1-CB 4.18Å; F290-F338 AromaticContact CG-CD2 3.77Å; F290-F338 HydrophobicContact CG-CD2 3.77Å; F290-F341 HydrophobicContact CE2-CE2 4.18Å
291V93.9Very high82Confident0 Ų037.3 Ų37.30%022%0.221CC..EExtended strand (participates in β ladder)trans-111.5111.7170.6-170.90000108.7F279 I280 A306 M309 A310 V326 E327 I328 L329F279-V291 CarbonylContact O-C 3.36Å; F279-V291 WeakPolarHBondContact O-CA 3.19Å; I280-V291 HydrophobicContact CG1-CG2 4.42Å; V291-A306 HydrophobicContact CG1-CB 3.98Å; V291-M309 HydrophobicContact CG1-SD 4.34Å; V291-A310 HydrophobicContact CG2-CB 3.91Å; V291-V326 HydrophobicContact CG2-CG1 4.46Å; V291-E327 PolarHBondContact N-O 3.11Å; V291-I328 HydrophobicContact CB-CG1 4.21Å; V291-I328 HydrophobicContact CB-CG2 4.35Å; V291-I328 CarbonylContact O-C 3.52Å; V291-I328 VanDerWaalsContact O-CA 3.27Å; V291-I328 WeakPolarHBondContact O-CA 3.3Å; V291-L329 PolarHBondContact O-N 2.7Å
292W93.8Very high80.8Confident5 Ų537.6 Ų37.62%0.01922%0.222CC..EExtended strand (participates in β ladder)trans-90118.9177.2-174.692.3000109.4L273 V274 C278 F279 L329 Q331 E334 F338L273-W292 HydrophobicContact CB-CD2 4.48Å; L273-W292 HydrophobicContact CB-CE3 4.42Å; L273-W292 HydrophobicContact CB-CH2 3.72Å; L273-W292 HydrophobicContact CB-CZ2 3.86Å; L273-W292 HydrophobicContact CB-CZ3 4.05Å; L273-W292 HydrophobicContact CD1-CD2 4.3Å; L273-W292 HydrophobicContact CD1-CG 4.45Å; L273-W292 HydrophobicContact CD1-CZ2 4.27Å; L273-W292 HydrophobicContact CD2-CD2 4.11Å; L273-W292 HydrophobicContact CD2-CE3 4.19Å; L273-W292 HydrophobicContact CD2-CG 4.32Å; V274-W292 WeakPolarHBondContact O-CZ3 3.28Å; C278-W292 WeakPolarHBondContact CA-O 3.09Å; F279-W292 HydrophobicContact CB-CB 4.48Å; F279-W292 AromaticContact CD2-CE3 3.74Å; F279-W292 HydrophobicContact CD2-CE3 3.74Å; F279-W292 AromaticContact CD2-CZ3 3.9Å; F279-W292 HydrophobicContact CD2-CZ3 3.9Å; F279-W292 HydrophobicContact CE2-CE3 4.42Å; F279-W292 HydrophobicContact CE2-CZ3 4.12Å; F279-W292 PolarHBondContact N-O 3.18Å; F279-W292 PolarHBondContact O-N 3.06Å; W292-L329 CarbonylContact C-O 3.58Å; W292-L329 WeakPolarHBondContact CA-O 3.21Å; W292-Q331 HydrophobicContact CH2-CB 4.44Å; W292-Q331 HydrophobicContact CH2-CG 4.49Å; W292-Q331 HydrophobicContact CZ2-CB 3.85Å; W292-Q331 HydrophobicContact CZ2-CG 3.88Å; W292-Q331 VanDerWaalsContact CZ2-NE2 3.29Å; W292-E334 PolarHBondContact NE1-OE1 3.49Å; W292-F338 HydrophobicContact CB-CE2 4.24Å; W292-F338 HydrophobicContact CB-CZ 3.99Å; W292-F338 AromaticContact CD1-CE1 4Å; W292-F338 AromaticContact CD1-CZ 3.76Å; W292-F338 HydrophobicContact CG-CZ 4.08Å
293K89.4Confident79.6Confident6 Ų639 Ų393%0.02623%0.228CC..EExtended strand (participates in β ladder)trans-87.1120.5175.7-59.1-174.7-62.6-169.30108.6D84 Q93 K303 A306 I328 L329 Q331D84-K293 VanDerWaalsContact CG-NZ 3.25Å; D84-K293 IonicContact OD1-NZ 2.83Å; D84-K293 PolarHBondContact OD1-NZ 2.76Å; D84-K293 IonicContact OD2-NZ 3.58Å; D84-K293 PolarHBondContact OD2-NZ 3.28Å; Q93-K293 VanDerWaalsContact NE2-NZ 3.13Å; K293-K303 HydrophobicContact CB-CG 4.39Å; K293-A306 HydrophobicContact CG-CB 4.45Å; K293-I328 HydrophobicContact CD-CG2 3.77Å; K293-I328 HydrophobicContact CG-CG2 3.74Å; K293-L329 PolarHBondContact N-O 3.37Å; K293-Q331 PolarHBondContact O-N 2.83Å
294G84.1Confident78.6Confident6 Ų640.8 Ų40.86%0.06224%0.237CC..PPolyproline II helixtrans-58.7164.5173.800000113.8R275 D277 K303R275-G294 CarbonylContact O-C 3.49Å; R275-G294 VanDerWaalsContact O-CA 3.28Å; R275-G294 WeakPolarHBondContact O-CA 3.36Å; D277-G294 WeakPolarHBondContact O-CA 3.41Å; D277-G294 PolarHBondContact O-N 3.08Å; G294-K303 WeakPolarHBondContact O-CE 3.44Å
295G76.4Confident78.1Confident15 Ų1541.2 Ų41.216%0.15524%0.241CC..SBendtrans-67-162.8175.100000112.9R275 G297 A298 K303R275-G295 PolarHBondContact O-N 3.33Å; G295-G297 PolarHBondContact O-N 3.29Å; G295-A298 PolarHBondContact O-N 2.81Å; G295-A298 VanDerWaalsContact O-N 3.1Å; G295-K303 PolarHBondContact O-NZ 2.91Å
296H64.2Low77.9Confident201 Ų20137.6 Ų37.693%0.93121%0.211SC*.THydrogen-bonded Turntrans-56.2-26.9-165.7-76.3-67.5000116.4
297G59.1Low77.8Confident53 Ų5337 Ų3755%0.54621%0.208SC..THydrogen-bonded Turntrans-80-19.3179.100000116D276 G295D276-G297 VanDerWaalsContact OD1-CA 3.23Å; D276-G297 WeakPolarHBondContact OD1-CA 3.43Å; D276-G297 PolarHBondContact OD1-N 3.48Å; G295-G297 PolarHBondContact O-N 3.29Å
298A65Low77.8Confident3 Ų341.7 Ų41.73%0.02522%0.223CC..SBendtrans-66.6141.7179.700000112.1D276 G295 I300 K303D276-A298 VanDerWaalsContact C-CB 3.49Å; D276-A298 VanDerWaalsContact O-CA 3.3Å; D276-A298 WeakPolarHBondContact O-CA 3.36Å; G295-A298 PolarHBondContact O-N 2.81Å; G295-A298 VanDerWaalsContact O-N 3.1Å; A298-I300 PolarHBondContact O-N 3.01Å; A298-K303 WeakPolarHBondContact O-CE 3.17Å; A298-K303 PolarHBondContact O-NZ 2.72Å
299N69.1Low77.6Confident54 Ų5440.9 Ų40.929%0.28922%0.22SC..  trans-58.3138.2-169.3-169.11.1000111.7D252 E301 E302 K303D252-N299 PolarHBondContact OD2-ND2 3.06Å; N299-E301 PolarHBondContact ND2-OE2 2.86Å; N299-E301 PolarHBondContact O-N 3.16Å; N299-E301 PolarHBondContact OD1-N 2.86Å; N299-E301 VanDerWaalsContact OD1-N 3.11Å; N299-E302 HydrophobicContact CB-CB 4.13Å; N299-E302 HydrophobicContact CB-CG 4.05Å; N299-E302 PolarHBondContact O-N 3.38Å; N299-K303 WeakPolarHBondContact O-CG 3.11Å; N299-K303 PolarHBondContact O-N 3.38Å
300I69.3Low77.3Confident112 Ų11241 Ų4157%0.57422%0.22SC*.Hα-helixtrans-61.7-35.3173.5-65.5172.5000110.1A298 K303 N304A298-I300 PolarHBondContact O-N 3.01Å; I300-K303 PolarHBondContact O-N 3.35Å; I300-N304 WeakPolarHBondContact CG2-ND2 3.44Å; I300-N304 VanDerWaalsContact O-CB 3.29Å; I300-N304 WeakPolarHBondContact O-CB 3.3Å; I300-N304 PolarHBondContact O-N 3.27Å; I300-N304 PolarHBondContact O-ND2 3.21Å; I300-N304 VanDerWaalsContact O-ND2 3.07Å
301E70.3Confident76.9Confident133 Ų13342.8 Ų42.862%0.62123%0.23SC*.Hα-helixtrans-69.7-41.9178.2-59.1175.513500111.3N299 N304 A305N299-E301 PolarHBondContact ND2-OE2 2.86Å; N299-E301 PolarHBondContact O-N 3.16Å; N299-E301 PolarHBondContact OD1-N 2.86Å; N299-E301 VanDerWaalsContact OD1-N 3.11Å; E301-N304 PolarHBondContact O-N 2.74Å; E301-A305 WeakPolarHBondContact O-CB 3.28Å; E301-A305 PolarHBondContact O-N 3.26Å
302E69.8Low76.5Confident7 Ų746.3 Ų46.33%0.03325%0.248CC..Hα-helixtrans-58-51.8169.1-76.1-172.716900112.2S251 M257 C278 N299 N304 A305 A306 M309S251-E302 WeakPolarHBondContact CA-OE1 3.5Å; M257-E302 HydrophobicContact CE-CB 4.46Å; M257-E302 HydrophobicContact CE-CG 3.91Å; M257-E302 HydrophobicContact SD-CG 4.33Å; C278-E302 HydrophobicContact CB-CB 4.45Å; C278-E302 PolarHBondContact N-OE2 3.02Å; C278-E302 PolarHBondContact SG-OE2 2.78Å; N299-E302 HydrophobicContact CB-CB 4.13Å; N299-E302 HydrophobicContact CB-CG 4.05Å; N299-E302 PolarHBondContact O-N 3.38Å; E302-N304 VanDerWaalsContact C-N 3.32Å; E302-N304 PolarHBondContact O-N 3.28Å; E302-A305 CarbonylContact O-C 3.51Å; E302-A305 PolarHBondContact O-N 3.36Å; E302-A306 PolarHBondContact O-N 2.82Å; E302-A306 VanDerWaalsContact O-N 3.11Å; E302-M309 VanDerWaalsContact CA-CE 3.47Å; E302-M309 HydrophobicContact CB-CE 3.63Å; E302-M309 HydrophobicContact CG-CE 3.91Å; E302-M309 WeakPolarHBondContact O-CE 3.16Å
303K68.8Low76.3Confident41 Ų4146.1 Ų46.118%0.17825%0.248CC..Hα-helixtrans-58.1-42.8-179.9-75.2165.9177.3155.20112.8K293 G294 G295 A298 N299 I300 A305 A306K293-K303 HydrophobicContact CB-CG 4.39Å; G294-K303 WeakPolarHBondContact O-CE 3.44Å; G295-K303 PolarHBondContact O-NZ 2.91Å; A298-K303 WeakPolarHBondContact O-CE 3.17Å; A298-K303 PolarHBondContact O-NZ 2.72Å; N299-K303 WeakPolarHBondContact O-CG 3.11Å; N299-K303 PolarHBondContact O-N 3.38Å; I300-K303 PolarHBondContact O-N 3.35Å; K303-A305 VanDerWaalsContact C-N 3.3Å; K303-A305 PolarHBondContact O-N 2.96Å; K303-A306 WeakPolarHBondContact O-CB 2.96Å; K303-A306 PolarHBondContact O-N 3.09Å
304N70.6Confident76.3Confident58 Ų5845.9 Ų45.931%0.3125%0.247SC..Hα-helixtrans-69.7-28.3177.5-72.5-29.2000112.7T81 N85 I300 E301 E302T81-N304 HydrophobicContact CG2-CB 3.85Å; T81-N304 WeakPolarHBondContact CG2-OD1 3.19Å; N85-N304 PolarHBondContact ND2-OD1 3.07Å; I300-N304 WeakPolarHBondContact CG2-ND2 3.44Å; I300-N304 VanDerWaalsContact O-CB 3.29Å; I300-N304 WeakPolarHBondContact O-CB 3.3Å; I300-N304 PolarHBondContact O-N 3.27Å; I300-N304 PolarHBondContact O-ND2 3.21Å; I300-N304 VanDerWaalsContact O-ND2 3.07Å; E301-N304 PolarHBondContact O-N 2.74Å; E302-N304 VanDerWaalsContact C-N 3.32Å; E302-N304 PolarHBondContact O-N 3.28Å
305A75.6Confident76.6Confident14 Ų1451 Ų5112%0.11627%0.269CS..Hα-helixtrans-88.7-0.3179.200000114.3M257 E301 E302 K303 L307 Q308 M309M257-A305 HydrophobicContact CE-CB 4.02Å; E301-A305 WeakPolarHBondContact O-CB 3.28Å; E301-A305 PolarHBondContact O-N 3.26Å; E302-A305 CarbonylContact O-C 3.51Å; E302-A305 PolarHBondContact O-N 3.36Å; K303-A305 VanDerWaalsContact C-N 3.3Å; K303-A305 PolarHBondContact O-N 2.96Å; A305-L307 VanDerWaalsContact C-N 3.25Å; A305-L307 PolarHBondContact O-N 3.11Å; A305-L307 VanDerWaalsContact O-N 3.09Å; A305-Q308 CarbonylContact O-C 3.59Å; A305-Q308 WeakPolarHBondContact O-CA 3.46Å; A305-Q308 WeakPolarHBondContact O-CB 3.35Å; A305-Q308 PolarHBondContact O-N 3.44Å; A305-M309 HydrophobicContact CB-CE 4.37Å; A305-M309 WeakPolarHBondContact O-CG 3.23Å; A305-M309 PolarHBondContact O-N 2.77Å
306A78.9Confident77.1Confident2 Ų255.9 Ų55.92%0.01729%0.288CS..Hα-helixtrans-51.5-38-173.900000114.6V291 K293 E302 K303 A310 I328V291-A306 HydrophobicContact CG1-CB 3.98Å; K293-A306 HydrophobicContact CG-CB 4.45Å; E302-A306 PolarHBondContact O-N 2.82Å; E302-A306 VanDerWaalsContact O-N 3.11Å; K303-A306 WeakPolarHBondContact O-CB 2.96Å; K303-A306 PolarHBondContact O-N 3.09Å; A306-A310 PolarHBondContact O-N 2.83Å; A306-A310 VanDerWaalsContact O-N 3.15Å; A306-I328 HydrophobicContact CB-CD1 4.03Å; A306-I328 HydrophobicContact CB-CG2 3.98Å
307L77.1Confident78.4Confident20 Ų2049 Ų4911%0.10526%0.257CS..Hα-helixtrans-68-39.8173.6-74.2159.5000112.9M62 A77 A305 A310 D311 I328M62-L307 HydrophobicContact CE-CD1 4.01Å; M62-L307 HydrophobicContact CE-CD2 3.8Å; M62-L307 HydrophobicContact CE-CG 4.46Å; M62-L307 HydrophobicContact SD-CD1 3.41Å; M62-L307 WeakPolarHBondContact SD-CD1 3.47Å; M62-L307 HydrophobicContact SD-CD2 3.83Å; M62-L307 HydrophobicContact SD-CG 4.27Å; A77-L307 HydrophobicContact CB-CB 4.49Å; A77-L307 HydrophobicContact CB-CD1 3.76Å; A305-L307 VanDerWaalsContact C-N 3.25Å; A305-L307 PolarHBondContact O-N 3.11Å; A305-L307 VanDerWaalsContact O-N 3.09Å; L307-A310 PolarHBondContact O-N 2.99Å; L307-D311 PolarHBondContact O-N 3.05Å; L307-I328 HydrophobicContact CB-CD1 4.44Å; L307-I328 HydrophobicContact CD2-CD1 3.52Å; L307-I328 HydrophobicContact CG-CD1 3.54Å
308Q81.9Confident79.9Confident123 Ų12355.4 Ų55.458%0.57527%0.27SS*.Hα-helixtrans-69.9-35.1176.6-171.2179.21.800111.5A305 A310 N312A305-Q308 CarbonylContact O-C 3.59Å; A305-Q308 WeakPolarHBondContact O-CA 3.46Å; A305-Q308 WeakPolarHBondContact O-CB 3.35Å; A305-Q308 PolarHBondContact O-N 3.44Å; Q308-A310 VanDerWaalsContact C-N 3.34Å; Q308-N312 VanDerWaalsContact O-CB 3.25Å; Q308-N312 WeakPolarHBondContact O-CB 3.48Å; Q308-N312 PolarHBondContact O-N 3.47Å; Q308-N312 PolarHBondContact O-ND2 2.84Å; Q308-N312 PolarHBondContact O-OD1 2.91Å
309M84Confident81Confident6 Ų657.6 Ų57.63%0.0328%0.278CS..Hα-helixtrans-58.9-46.5170.3-62.1171.5-175.800111V250 M257 C278 I280 V291 E302 A305 N312 F313V250-M309 HydrophobicContact CB-CE 4.34Å; V250-M309 HydrophobicContact CB-SD 4.14Å; V250-M309 HydrophobicContact CG1-CE 3.8Å; V250-M309 HydrophobicContact CG1-CG 4.19Å; V250-M309 HydrophobicContact CG1-SD 3.82Å; V250-M309 HydrophobicContact CG2-SD 3.86Å; M257-M309 HydrophobicContact CE-CE 4.09Å; M257-M309 HydrophobicContact SD-CE 3.75Å; C278-M309 HydrophobicContact CB-CE 4.35Å; C278-M309 HydrophobicContact CB-SD 4.49Å; I280-M309 HydrophobicContact CD1-CB 4.27Å; V291-M309 HydrophobicContact CG1-SD 4.34Å; E302-M309 VanDerWaalsContact CA-CE 3.47Å; E302-M309 HydrophobicContact CB-CE 3.63Å; E302-M309 HydrophobicContact CG-CE 3.91Å; E302-M309 WeakPolarHBondContact O-CE 3.16Å; A305-M309 HydrophobicContact CB-CE 4.37Å; A305-M309 WeakPolarHBondContact O-CG 3.23Å; A305-M309 PolarHBondContact O-N 2.77Å; M309-N312 PolarHBondContact O-N 3.15Å; M309-F313 WeakPolarHBondContact O-CB 3.47Å; M309-F313 PolarHBondContact O-N 2.9Å
310A87.2Confident81.8Confident1 Ų158.9 Ų58.91%0.00829%0.289CS..Hα-helixtrans-62.8-47.2179.100000112.4I289 V291 A306 L307 Q308 F313 I314 V326I289-A310 HydrophobicContact CD1-CB 4Å; V291-A310 HydrophobicContact CG2-CB 3.91Å; A306-A310 PolarHBondContact O-N 2.83Å; A306-A310 VanDerWaalsContact O-N 3.15Å; L307-A310 PolarHBondContact O-N 2.99Å; Q308-A310 VanDerWaalsContact C-N 3.34Å; A310-F313 PolarHBondContact O-N 3.34Å; A310-I314 WeakPolarHBondContact O-CB 3.25Å; A310-I314 VanDerWaalsContact O-CG1 3.26Å; A310-I314 WeakPolarHBondContact O-CG1 3.27Å; A310-I314 PolarHBondContact O-N 2.88Å; A310-V326 HydrophobicContact CB-CB 4.42Å; A310-V326 HydrophobicContact CB-CG1 3.48Å; A310-V326 VanDerWaalsContact CB-CG1 3.48Å; A310-V326 HydrophobicContact CB-CG2 4.05Å
311D85.8Confident82.4Confident38 Ų3856.3 Ų56.320%0.20327%0.272CS..Hα-helixtrans-61.2-48.2175.8-98-19000111.8L307 F313 I314 E315 R321L307-D311 PolarHBondContact O-N 3.05Å; D311-F313 VanDerWaalsContact C-N 3.29Å; D311-F313 PolarHBondContact O-N 3.5Å; D311-I314 PolarHBondContact O-N 3.02Å; D311-E315 PolarHBondContact O-N 3.33Å; D311-R321 IonicContact OD1-CZ 3.28Å; D311-R321 IonicContact OD1-NE 3.45Å; D311-R321 PolarHBondContact OD1-NE 3.47Å; D311-R321 IonicContact OD1-NH2 3.92Å; D311-R321 PolarHBondContact OD1-NH2 2.96Å; D311-R321 IonicContact OD2-CZ 3.28Å; D311-R321 IonicContact OD2-NE 3.46Å; D311-R321 IonicContact OD2-NH2 3.92Å; D311-R321 PolarHBondContact OD2-NH2 2.75Å
312N86.9Confident82.7Confident74 Ų7453.8 Ų53.840%0.39626%0.261SS..Hα-helixtrans-58.8-41176.7-71.3-6.5000111.7Q308 M309 E315 Q316Q308-N312 VanDerWaalsContact O-CB 3.25Å; Q308-N312 WeakPolarHBondContact O-CB 3.48Å; Q308-N312 PolarHBondContact O-N 3.47Å; Q308-N312 PolarHBondContact O-ND2 2.84Å; Q308-N312 PolarHBondContact O-OD1 2.91Å; M309-N312 PolarHBondContact O-N 3.15Å; N312-E315 PolarHBondContact O-N 3.48Å; N312-Q316 VanDerWaalsContact O-CB 3.27Å; N312-Q316 WeakPolarHBondContact O-CB 3.38Å; N312-Q316 PolarHBondContact O-N 3.45Å
313F89.3Confident83Confident1 Ų159.6 Ų59.60%0.00429%0.286CS..Hα-helixtrans-69.5-39.7179.3-172.8-95.7000111.9Y248 T259 I280 D282 I289 M309 A310 D311 Q316 M317 Y319Y248-F313 HydrophobicContact CD1-CE2 4.12Å; Y248-F313 AromaticContact CD2-CE2 3.89Å; Y248-F313 HydrophobicContact CD2-CE2 3.89Å; Y248-F313 AromaticContact CD2-CZ 3.84Å; Y248-F313 HydrophobicContact CD2-CZ 3.84Å; Y248-F313 HydrophobicContact CE1-CE2 4.08Å; Y248-F313 AromaticContact CE2-CE2 3.88Å; Y248-F313 HydrophobicContact CE2-CE2 3.88Å; Y248-F313 AromaticContact CE2-CZ 3.61Å; Y248-F313 HydrophobicContact CE2-CZ 3.61Å; Y248-F313 HydrophobicContact CG-CE2 4.03Å; Y248-F313 HydrophobicContact CG-CZ 4.45Å; Y248-F313 AromaticContact CZ-CE2 3.97Å; T259-F313 HydrophobicContact CG2-CD2 4.22Å; I280-F313 HydrophobicContact CD1-CB 3.8Å; I280-F313 HydrophobicContact CD1-CD2 3.91Å; I280-F313 HydrophobicContact CD1-CG 3.86Å; I280-F313 HydrophobicContact CG2-CD1 3.93Å; I280-F313 HydrophobicContact CG2-CD2 4.47Å; I280-F313 HydrophobicContact CG2-CE1 3.99Å; I280-F313 HydrophobicContact CG2-CG 4.18Å; I280-F313 HydrophobicContact CG2-CZ 4.3Å; D282-F313 HydrophobicContact CB-CE1 3.76Å; D282-F313 HydrophobicContact CB-CZ 3.71Å; I289-F313 HydrophobicContact CD1-CD1 4.14Å; M309-F313 WeakPolarHBondContact O-CB 3.47Å; M309-F313 PolarHBondContact O-N 2.9Å; A310-F313 PolarHBondContact O-N 3.34Å; D311-F313 VanDerWaalsContact C-N 3.29Å; D311-F313 PolarHBondContact O-N 3.5Å; F313-Q316 PolarHBondContact O-N 2.9Å; F313-M317 HydrophobicContact CD1-CG 4.04Å; F313-M317 HydrophobicContact CD2-CG 4.25Å; F313-M317 HydrophobicContact CE1-CG 3.7Å; F313-M317 HydrophobicContact CE2-CG 3.93Å; F313-M317 HydrophobicContact CE2-SD 4.33Å; F313-M317 HydrophobicContact CG-CG 4.3Å; F313-M317 HydrophobicContact CZ-CE 3.97Å; F313-M317 HydrophobicContact CZ-CG 3.63Å; F313-M317 HydrophobicContact CZ-SD 4.17Å; F313-M317 VanDerWaalsContact O-CB 3.32Å; F313-M317 WeakPolarHBondContact O-CB 3.32Å; F313-M317 VanDerWaalsContact O-CG 3.26Å; F313-M317 WeakPolarHBondContact O-CG 3.37Å; F313-M317 PolarHBondContact O-N 3.4Å; F313-Y319 HydrophobicContact CE1-CE2 4.41Å
314I89.6Confident83.8Confident1 Ų157.7 Ų57.71%0.00528%0.278CS..Hα-helixtrans-60.1-45.1172.6-75.7167.8000110.9I289 A310 D311 K318 Y319 R321 T324 V326I289-I314 HydrophobicContact CD1-CD1 3.92Å; I289-I314 HydrophobicContact CD1-CG1 3.75Å; I289-I314 HydrophobicContact CG1-CD1 4.45Å; A310-I314 WeakPolarHBondContact O-CB 3.25Å; A310-I314 VanDerWaalsContact O-CG1 3.26Å; A310-I314 WeakPolarHBondContact O-CG1 3.27Å; A310-I314 PolarHBondContact O-N 2.88Å; D311-I314 PolarHBondContact O-N 3.02Å; I314-K318 WeakPolarHBondContact O-CA 3.2Å; I314-K318 PolarHBondContact O-N 2.88Å; I314-Y319 WeakPolarHBondContact CG2-O 3.26Å; I314-Y319 PolarHBondContact O-N 2.97Å; I314-R321 HydrophobicContact CG2-CB 3.82Å; I314-R321 HydrophobicContact CG2-CG 4.19Å; I314-T324 HydrophobicContact CD1-CG2 3.75Å; I314-T324 HydrophobicContact CG1-CG2 3.97Å; I314-V326 HydrophobicContact CD1-CG2 3.76Å
315E88.9Confident84.5Confident115 Ų11556.5 Ų56.554%0.53727%0.271SS..Hα-helixtrans-65.5-45.9176.1-71.2-173.4-176.700111.9D311 N312 M317 K318D311-E315 PolarHBondContact O-N 3.33Å; N312-E315 PolarHBondContact O-N 3.48Å; E315-M317 PolarHBondContact O-N 3.19Å; E315-K318 PolarHBondContact O-N 3.47Å
316Q88.7Confident85.3Confident116 Ų11656 Ų5654%0.54227%0.267SS..Hα-helixtrans-59.3-45.9178179179.4-59.700112.6T259 N312 F313 K318T259-Q316 PolarHBondContact OG1-NE2 3.24Å; N312-Q316 VanDerWaalsContact O-CB 3.27Å; N312-Q316 WeakPolarHBondContact O-CB 3.38Å; N312-Q316 PolarHBondContact O-N 3.45Å; F313-Q316 PolarHBondContact O-N 2.9Å; Q316-K318 VanDerWaalsContact C-N 3.28Å
317M89.6Confident85.9Confident57 Ų5756.2 Ų56.228%0.28127%0.267SS..Hα-helixtrans-84.7-3-179.6-58.6-66.9-85.900112.8Y248 D282 F313 E315 Y319Y248-M317 WeakPolarHBondContact OH-CE 3.43Å; D282-M317 WeakPolarHBondContact OD2-CE 3.44Å; F313-M317 HydrophobicContact CD1-CG 4.04Å; F313-M317 HydrophobicContact CD2-CG 4.25Å; F313-M317 HydrophobicContact CE1-CG 3.7Å; F313-M317 HydrophobicContact CE2-CG 3.93Å; F313-M317 HydrophobicContact CE2-SD 4.33Å; F313-M317 HydrophobicContact CG-CG 4.3Å; F313-M317 HydrophobicContact CZ-CE 3.97Å; F313-M317 HydrophobicContact CZ-CG 3.63Å; F313-M317 HydrophobicContact CZ-SD 4.17Å; F313-M317 VanDerWaalsContact O-CB 3.32Å; F313-M317 WeakPolarHBondContact O-CB 3.32Å; F313-M317 VanDerWaalsContact O-CG 3.26Å; F313-M317 WeakPolarHBondContact O-CG 3.37Å; F313-M317 PolarHBondContact O-N 3.4Å; E315-M317 PolarHBondContact O-N 3.19Å; M317-Y319 VanDerWaalsContact C-N 3.3Å; M317-Y319 HydrophobicContact CB-CD2 3.56Å; M317-Y319 HydrophobicContact CB-CE2 3.34Å; M317-Y319 HydrophobicContact CB-CG 4.34Å; M317-Y319 HydrophobicContact CG-CD2 4.49Å; M317-Y319 HydrophobicContact CG-CE2 4.01Å; M317-Y319 PolarHBondContact O-N 2.95Å
318K90.7Very high86.6Confident187 Ų18755.3 Ų55.381%0.81326%0.262SS*.THydrogen-bonded Turntrans6032.9179-53.9176.3-176.91750113.9I314 E315 Q316I314-K318 WeakPolarHBondContact O-CA 3.2Å; I314-K318 PolarHBondContact O-N 2.88Å; E315-K318 PolarHBondContact O-N 3.47Å; Q316-K318 VanDerWaalsContact C-N 3.28Å
319Y89.6Confident87.1Confident49 Ų4949.4 Ų49.419%0.19224%0.235CC..  trans-75.2150.6175.6-65.4-50.9000111.6D282 G284 F313 I314 M317 R321D282-Y319 WeakPolarHBondContact OD1-CE2 3.39Å; D282-Y319 PolarHBondContact OD1-OH 2.85Å; D282-Y319 PolarHBondContact OD2-OH 3.34Å; G284-Y319 VanDerWaalsContact C-CE1 3.45Å; F313-Y319 HydrophobicContact CE1-CE2 4.41Å; I314-Y319 WeakPolarHBondContact CG2-O 3.26Å; I314-Y319 PolarHBondContact O-N 2.97Å; M317-Y319 VanDerWaalsContact C-N 3.3Å; M317-Y319 HydrophobicContact CB-CD2 3.56Å; M317-Y319 HydrophobicContact CB-CE2 3.34Å; M317-Y319 HydrophobicContact CB-CG 4.34Å; M317-Y319 HydrophobicContact CG-CD2 4.49Å; M317-Y319 HydrophobicContact CG-CE2 4.01Å; M317-Y319 PolarHBondContact O-N 2.95Å; Y319-R321 PolarHBondContact O-N 3.5Å
320P85.4Confident87.3Confident81 Ų8149.8 Ų49.853%0.52624%0.237SC..  trans-71.597.5-177.9-15.631000111.3M322 K323 T324P320-M322 PolarHBondContact O-N 2.74Å; P320-K323 HydrophobicContact CB-CB 4.32Å; P320-K323 CarbonylContact O-C 3.32Å; P320-K323 PolarHBondContact O-N 3.1Å; P320-T324 PolarHBondContact O-N 2.99Å; P320-T324 PolarHBondContact O-OG1 3.36Å
321R80.9Confident87.4Confident59 Ų5952.9 Ų52.922%0.22325%0.252CS..THydrogen-bonded Turntrans-49.7-24.5-174-171.7176.7-179.9-105.1-3.6116.3R95 D311 I314 Y319R95-R321 PolarHBondContact NH1-O 3.34Å; R95-R321 PolarHBondContact NH2-O 2.97Å; R95-R321 VanDerWaalsContact NH2-O 3.08Å; D311-R321 IonicContact OD1-CZ 3.28Å; D311-R321 IonicContact OD1-NE 3.45Å; D311-R321 PolarHBondContact OD1-NE 3.47Å; D311-R321 IonicContact OD1-NH2 3.92Å; D311-R321 PolarHBondContact OD1-NH2 2.96Å; D311-R321 IonicContact OD2-CZ 3.28Å; D311-R321 IonicContact OD2-NE 3.46Å; D311-R321 IonicContact OD2-NH2 3.92Å; D311-R321 PolarHBondContact OD2-NH2 2.75Å; I314-R321 HydrophobicContact CG2-CB 3.82Å; I314-R321 HydrophobicContact CG2-CG 4.19Å; Y319-R321 PolarHBondContact O-N 3.5Å
322M76.9Confident87.5Confident80 Ų8053.8 Ų53.839%0.39427%0.271SS..THydrogen-bonded Turntrans-97.32.3176.8-56.6-50177.200114.8V97 F100 P320V97-M322 HydrophobicContact CG1-CB 4.38Å; V97-M322 HydrophobicContact CG1-SD 4.34Å; F100-M322 WeakPolarHBondContact CD2-O 3.49Å; P320-M322 PolarHBondContact O-N 2.74Å
323K76.9Confident87.5Confident128 Ų12853.6 Ų53.656%0.55727%0.266SS*.THydrogen-bonded Turntrans-123.4-10.4171.1-56-166.6176.2-1670113.2F100 P320F100-K323 HydrophobicContact CE1-CD 4.25Å; F100-K323 HydrophobicContact CE1-CG 4.15Å; F100-K323 HydrophobicContact CE2-CG 4.17Å; F100-K323 HydrophobicContact CZ-CD 4.04Å; F100-K323 HydrophobicContact CZ-CG 3.9Å; P320-K323 HydrophobicContact CB-CB 4.32Å; P320-K323 CarbonylContact O-C 3.32Å; P320-K323 PolarHBondContact O-N 3.1Å
324T85.7Confident87.5Confident2 Ų254.3 Ų54.31%0.01227%0.269CS..  trans-85.9108.9173.6-52.90000110.6R95 G287 I289 I314 P320R95-T324 PolarHBondContact NH1-O 3.43Å; G287-T324 CarbonylContact O-C 3.57Å; G287-T324 VanDerWaalsContact O-CA 3.3Å; G287-T324 WeakPolarHBondContact O-CA 3.48Å; I289-T324 HydrophobicContact CG1-CG2 4.26Å; I289-T324 HydrophobicContact CG2-CG2 4.34Å; I314-T324 HydrophobicContact CD1-CG2 3.75Å; I314-T324 HydrophobicContact CG1-CG2 3.97Å; P320-T324 PolarHBondContact O-N 2.99Å; P320-T324 PolarHBondContact O-OG1 3.36Å
325Q85.8Confident87.3Confident32 Ų3255.6 Ų55.615%0.1528%0.278CS..EExtended strand (participates in β ladder)trans-67.5147.5167.8-72.3-177.3-6.400110.5F100 G287 K288 I289F100-Q325 PolarHBondContact O-NE2 2.83Å; G287-Q325 PolarHBondContact O-N 2.85Å; K288-Q325 WeakPolarHBondContact CA-O 3.1Å; K288-Q325 HydrophobicContact CB-CB 4.35Å; K288-Q325 HydrophobicContact CD-CB 4.25Å; K288-Q325 HydrophobicContact CG-CB 3.99Å; I289-Q325 PolarHBondContact N-O 2.81Å
326V91.4Very high86.9Confident5 Ų550.5 Ų50.53%0.0325%0.254CS..EExtended strand (participates in β ladder)trans-128.4129.2175.1-176.80000108.9R95 I289 V291 A310 I314 I328R95-V326 HydrophobicContact CB-CB 3.88Å; R95-V326 HydrophobicContact CB-CG2 4.48Å; R95-V326 PolarHBondContact N-O 3.2Å; I289-V326 HydrophobicContact CD1-CG2 4.28Å; I289-V326 HydrophobicContact CG1-CG1 4.48Å; I289-V326 HydrophobicContact CG1-CG2 3.98Å; I289-V326 WeakPolarHBondContact O-CA 3.42Å; V291-V326 HydrophobicContact CG2-CG1 4.46Å; A310-V326 HydrophobicContact CB-CB 4.42Å; A310-V326 HydrophobicContact CB-CG1 3.48Å; A310-V326 VanDerWaalsContact CB-CG1 3.48Å; A310-V326 HydrophobicContact CB-CG2 4.05Å; I314-V326 HydrophobicContact CD1-CG2 3.76Å; V326-I328 HydrophobicContact CG1-CG1 4.15Å
327E92.3Very high86.7Confident5 Ų546.2 Ų46.22%0.02323%0.234CC..EExtended strand (participates in β ladder)trans-124.9127.7178.8-172.6178.912700109.1V92 K288 I289 F290 V291 L329 T335V92-E327 HydrophobicContact CG1-CG 4.37Å; K288-E327 WeakPolarHBondContact CE-OE2 3.35Å; K288-E327 IonicContact NZ-OE2 3.3Å; K288-E327 PolarHBondContact NZ-OE2 2.76Å; I289-E327 PolarHBondContact O-N 3.38Å; F290-E327 CarbonylContact C-O 3.54Å; F290-E327 VanDerWaalsContact CA-O 3.22Å; F290-E327 WeakPolarHBondContact CA-O 3.36Å; F290-E327 HydrophobicContact CD1-CB 3.8Å; F290-E327 HydrophobicContact CD1-CG 4.14Å; F290-E327 HydrophobicContact CE1-CB 4.24Å; F290-E327 HydrophobicContact CE1-CG 4.46Å; V291-E327 PolarHBondContact N-O 3.11Å; E327-L329 HydrophobicContact CG-CD2 4.1Å; E327-L329 HydrophobicContact CG-CG 4.29Å; E327-T335 WeakPolarHBondContact OE1-CB 3.37Å; E327-T335 WeakPolarHBondContact OE1-CG2 3.32Å; E327-T335 PolarHBondContact OE1-OG1 3.11Å
328I91.8Very high86.7Confident1 Ų143.6 Ų43.61%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-116.9112.3-173-52.3-175.1000109.1Q93 V291 K293 A306 L307 V326Q93-I328 HydrophobicContact CB-CB 4.06Å; Q93-I328 PolarHBondContact N-O 2.8Å; Q93-I328 PolarHBondContact O-N 2.61Å; V291-I328 HydrophobicContact CB-CG1 4.21Å; V291-I328 HydrophobicContact CB-CG2 4.35Å; V291-I328 CarbonylContact O-C 3.52Å; V291-I328 VanDerWaalsContact O-CA 3.27Å; V291-I328 WeakPolarHBondContact O-CA 3.3Å; K293-I328 HydrophobicContact CD-CG2 3.77Å; K293-I328 HydrophobicContact CG-CG2 3.74Å; A306-I328 HydrophobicContact CB-CD1 4.03Å; A306-I328 HydrophobicContact CB-CG2 3.98Å; L307-I328 HydrophobicContact CB-CD1 4.44Å; L307-I328 HydrophobicContact CD2-CD1 3.52Å; L307-I328 HydrophobicContact CG-CD1 3.54Å; V326-I328 HydrophobicContact CG1-CG1 4.15Å
329L91.7Very high86.6Confident0 Ų037 Ų370%019%0.193CC..EExtended strand (participates in β ladder)trans-109.9111.3-166.6-63.4169.6000110.2V92 F290 V291 W292 K293 E327 E334 T335 F338V92-L329 HydrophobicContact CG1-CD2 3.7Å; V92-L329 HydrophobicContact CG2-CD2 4.23Å; F290-L329 HydrophobicContact CB-CD1 4.49Å; F290-L329 HydrophobicContact CD1-CD1 4.04Å; V291-L329 PolarHBondContact O-N 2.7Å; W292-L329 CarbonylContact C-O 3.58Å; W292-L329 WeakPolarHBondContact CA-O 3.21Å; K293-L329 PolarHBondContact N-O 3.37Å; E327-L329 HydrophobicContact CG-CD2 4.1Å; E327-L329 HydrophobicContact CG-CG 4.29Å; L329-E334 HydrophobicContact CD1-CB 4.42Å; L329-T335 HydrophobicContact CD2-CG2 3.94Å; L329-F338 HydrophobicContact CD1-CB 3.54Å; L329-F338 HydrophobicContact CD1-CD1 4.13Å; L329-F338 HydrophobicContact CD1-CD2 3.55Å; L329-F338 HydrophobicContact CD1-CE2 4.21Å; L329-F338 HydrophobicContact CD1-CG 3.49Å; L329-F338 VanDerWaalsContact CD1-CG 3.49Å
330P89.1Confident86.5Confident13 Ų1335.7 Ų35.78%0.08419%0.188CC..EExtended strand (participates in β ladder)trans-67.1145164.725-27000111.1G89 G332 K333G89-P330 WeakPolarHBondContact O-CB 3.23Å; G89-P330 WeakPolarHBondContact O-CG 3.34Å; P330-G332 PolarHBondContact O-N 3.28Å; P330-K333 HydrophobicContact CG-CB 3.97Å; P330-K333 HydrophobicContact CG-CG 3.95Å; P330-K333 WeakPolarHBondContact O-CB 3.44Å; P330-K333 PolarHBondContact O-N 3.37Å
331Q89.1Confident86.8Confident66 Ų6632 Ų3231%0.30816%0.164SC..THydrogen-bonded Turntrans-47.9127.4177173.5169.3105.900112.4W292 K293W292-Q331 HydrophobicContact CH2-CB 4.44Å; W292-Q331 HydrophobicContact CH2-CG 4.49Å; W292-Q331 HydrophobicContact CZ2-CB 3.85Å; W292-Q331 HydrophobicContact CZ2-CG 3.88Å; W292-Q331 VanDerWaalsContact CZ2-NE2 3.29Å; K293-Q331 PolarHBondContact O-N 2.83Å
332G86.9Confident87.2Confident58 Ų5829.8 Ų29.860%0.59816%0.156SC*.THydrogen-bonded Turntrans87.2-4.8-177.800000115.2P330 E334P330-G332 PolarHBondContact O-N 3.28Å; G332-E334 VanDerWaalsContact C-OE2 3.3Å; G332-E334 VanDerWaalsContact CA-OE2 3.25Å; G332-E334 WeakPolarHBondContact CA-OE2 3.23Å; G332-E334 VanDerWaalsContact N-CD 3.28Å; G332-E334 PolarHBondContact N-OE1 3.04Å; G332-E334 PolarHBondContact N-OE2 3.42Å
333K87.8Confident87.7Confident69 Ų6931.8 Ų31.830%0.316%0.163SC..  trans-112.323.7175.9-57.1-73.9-174.3130.40112.3D90 V92 P330D90-K333 WeakPolarHBondContact OD1-CE 3.45Å; D90-K333 IonicContact OD1-NZ 2.74Å; D90-K333 PolarHBondContact OD1-NZ 2.82Å; D90-K333 IonicContact OD2-NZ 2.72Å; D90-K333 PolarHBondContact OD2-NZ 2.7Å; V92-K333 HydrophobicContact CG2-CB 3.86Å; P330-K333 HydrophobicContact CG-CB 3.97Å; P330-K333 HydrophobicContact CG-CG 3.95Å; P330-K333 WeakPolarHBondContact O-CB 3.44Å; P330-K333 PolarHBondContact O-N 3.37Å
334E89.5Confident87.7Confident16 Ų1632.7 Ų32.78%0.07517%0.173CC..  trans-70135.3-174.4-5285173.300112.3W292 L329 G332 F338 K339 W345W292-E334 PolarHBondContact NE1-OE1 3.49Å; L329-E334 HydrophobicContact CD1-CB 4.42Å; G332-E334 VanDerWaalsContact C-OE2 3.3Å; G332-E334 VanDerWaalsContact CA-OE2 3.25Å; G332-E334 WeakPolarHBondContact CA-OE2 3.23Å; G332-E334 VanDerWaalsContact N-CD 3.28Å; G332-E334 PolarHBondContact N-OE1 3.04Å; G332-E334 PolarHBondContact N-OE2 3.42Å; E334-F338 HydrophobicContact CB-CD1 3.75Å; E334-F338 HydrophobicContact CB-CE1 4.21Å; E334-F338 HydrophobicContact CG-CD1 3.98Å; E334-F338 HydrophobicContact CG-CE1 3.9Å; E334-K339 HydrophobicContact CB-CG 4.17Å; E334-K339 WeakPolarHBondContact O-CD 3.32Å; E334-K339 WeakPolarHBondContact O-CE 3.43Å; E334-K339 PolarHBondContact O-NZ 3.07Å; E334-W345 HydrophobicContact CB-CH2 4.4Å; E334-W345 HydrophobicContact CB-CZ2 4.13Å; E334-W345 HydrophobicContact CG-CH2 3.9Å; E334-W345 HydrophobicContact CG-CZ2 3.86Å
335T83.6Confident87.4Confident29 Ų2935 Ų3518%0.17818%0.182CC..  trans-78.1163179.757.90000112.6E327 L329 I337 F338 K339E327-T335 WeakPolarHBondContact OE1-CB 3.37Å; E327-T335 WeakPolarHBondContact OE1-CG2 3.32Å; E327-T335 PolarHBondContact OE1-OG1 3.11Å; L329-T335 HydrophobicContact CD2-CG2 3.94Å; T335-I337 VanDerWaalsContact C-N 3.27Å; T335-I337 PolarHBondContact O-N 2.91Å; T335-F338 PolarHBondContact O-N 2.83Å; T335-K339 WeakPolarHBondContact O-CB 3.35Å; T335-K339 VanDerWaalsContact O-CG 3.27Å; T335-K339 WeakPolarHBondContact O-CG 3.34Å; T335-K339 PolarHBondContact O-N 3.16Å
336I82.1Confident86.1Confident7 Ų742.3 Ų42.34%0.03622%0.222CC..Hα-helixtrans-59.3-38.8175.8-65.1-53.4000112.2L194 T198 F338 K339 Q340L194-I336 HydrophobicContact CB-CD1 3.84Å; L194-I336 HydrophobicContact CB-CG1 4.08Å; L194-I336 HydrophobicContact CB-CG2 3.96Å; L194-I336 HydrophobicContact CD1-CG2 4.39Å; L194-I336 HydrophobicContact CD2-CD1 4.07Å; L194-I336 HydrophobicContact CG-CD1 4.39Å; T198-I336 HydrophobicContact CG2-CD1 3.99Å; T198-I336 VanDerWaalsContact OG1-CD1 3.24Å; T198-I336 WeakPolarHBondContact OG1-CD1 3.32Å; T198-I336 WeakPolarHBondContact OG1-CG1 3.22Å; I336-F338 PolarHBondContact O-N 3.46Å; I336-K339 HydrophobicContact CD1-CD 4.1Å; I336-K339 PolarHBondContact O-N 3.36Å; I336-Q340 PolarHBondContact O-N 3.47Å
337I84.6Confident85.9Confident27 Ų2744.2 Ų44.214%0.13823%0.232CC..Hα-helixtrans-67.4-25.9-178.8-46.8-57.1000111.8Y138 F290 T335 Q340 F341Y138-I337 HydrophobicContact CE1-CD1 4.36Å; F290-I337 HydrophobicContact CZ-CB 4.43Å; F290-I337 HydrophobicContact CZ-CG2 3.98Å; T335-I337 VanDerWaalsContact C-N 3.27Å; T335-I337 PolarHBondContact O-N 2.91Å; I337-Q340 WeakPolarHBondContact O-CG 3.29Å; I337-Q340 PolarHBondContact O-NE2 2.88Å; I337-F341 WeakPolarHBondContact O-CD2 3.38Å; I337-F341 WeakPolarHBondContact O-CE2 3.45Å
338F89.8Confident85.5Confident1 Ų146.3 Ų46.30%0.00424%0.243CC..Hα-helixtrans-79-50.5166.3179.2-91.9000112.1L273 L281 F290 W292 L329 E334 T335 I336 Q340 F341 F342 W345L273-F338 HydrophobicContact CD1-CE1 3.92Å; L273-F338 HydrophobicContact CD1-CZ 3.94Å; L273-F338 HydrophobicContact CD2-CZ 4.47Å; L281-F338 HydrophobicContact CB-CD2 4.35Å; L281-F338 HydrophobicContact CB-CE2 3.95Å; L281-F338 HydrophobicContact CD1-CD2 3.61Å; L281-F338 HydrophobicContact CD1-CE2 3.58Å; L281-F338 HydrophobicContact CD1-CG 4.34Å; L281-F338 HydrophobicContact CD1-CZ 4.28Å; L281-F338 HydrophobicContact CG-CE2 4.44Å; F290-F338 HydrophobicContact CB-CD2 3.65Å; F290-F338 HydrophobicContact CB-CE2 4.03Å; F290-F338 HydrophobicContact CD1-CB 4.05Å; F290-F338 HydrophobicContact CD1-CD2 4.03Å; F290-F338 HydrophobicContact CD2-CD2 4.35Å; F290-F338 HydrophobicContact CE1-CB 4.18Å; F290-F338 AromaticContact CG-CD2 3.77Å; F290-F338 HydrophobicContact CG-CD2 3.77Å; W292-F338 HydrophobicContact CB-CE2 4.24Å; W292-F338 HydrophobicContact CB-CZ 3.99Å; W292-F338 AromaticContact CD1-CE1 4Å; W292-F338 AromaticContact CD1-CZ 3.76Å; W292-F338 HydrophobicContact CG-CZ 4.08Å; L329-F338 HydrophobicContact CD1-CB 3.54Å; L329-F338 HydrophobicContact CD1-CD1 4.13Å; L329-F338 HydrophobicContact CD1-CD2 3.55Å; L329-F338 HydrophobicContact CD1-CE2 4.21Å; L329-F338 HydrophobicContact CD1-CG 3.49Å; L329-F338 VanDerWaalsContact CD1-CG 3.49Å; E334-F338 HydrophobicContact CB-CD1 3.75Å; E334-F338 HydrophobicContact CB-CE1 4.21Å; E334-F338 HydrophobicContact CG-CD1 3.98Å; E334-F338 HydrophobicContact CG-CE1 3.9Å; T335-F338 PolarHBondContact O-N 2.83Å; I336-F338 PolarHBondContact O-N 3.46Å; F338-Q340 VanDerWaalsContact C-N 3.26Å; F338-Q340 PolarHBondContact O-N 2.62Å; F338-F341 WeakPolarHBondContact O-CB 3.49Å; F338-F341 WeakPolarHBondContact O-CD2 3.39Å; F338-F341 PolarHBondContact O-N 2.81Å; F338-F341 VanDerWaalsContact O-N 3.09Å; F338-F342 HydrophobicContact CD1-CD2 4.43Å; F338-F342 AromaticContact CD1-CE2 3.84Å; F338-F342 HydrophobicContact CD1-CE2 3.84Å; F338-F342 HydrophobicContact CE1-CD2 4.25Å; F338-F342 AromaticContact CE1-CE2 3.4Å; F338-F342 HydrophobicContact CE1-CE2 3.4Å; F338-F342 AromaticContact CE1-CZ 3.86Å; F338-F342 HydrophobicContact CE1-CZ 3.86Å; F338-F342 HydrophobicContact CE2-CE2 4.27Å; F338-F342 HydrophobicContact CG-CE2 4.46Å; F338-F342 AromaticContact CZ-CE2 3.65Å; F338-F342 HydrophobicContact CZ-CE2 3.65Å; F338-F342 AromaticContact CZ-CZ 3.78Å; F338-F342 HydrophobicContact CZ-CZ 3.78Å; F338-W345 HydrophobicContact CD1-CH2 4.47Å; F338-W345 HydrophobicContact CD1-CZ3 4.47Å; F338-W345 AromaticContact CE1-CH2 3.94Å; F338-W345 HydrophobicContact CE1-CH2 3.94Å; F338-W345 AromaticContact CE1-CZ3 3.97Å; F338-W345 HydrophobicContact CE1-CZ3 3.97Å
339K88.9Confident85.2Confident48 Ų4848.8 Ų48.821%0.20926%0.256CS..Hα-helixtrans-56.4-34.8-174.8-75.3165.2164.1153.80113.3E334 T335 I336 F341 F342 W345E334-K339 HydrophobicContact CB-CG 4.17Å; E334-K339 WeakPolarHBondContact O-CD 3.32Å; E334-K339 WeakPolarHBondContact O-CE 3.43Å; E334-K339 PolarHBondContact O-NZ 3.07Å; T335-K339 WeakPolarHBondContact O-CB 3.35Å; T335-K339 VanDerWaalsContact O-CG 3.27Å; T335-K339 WeakPolarHBondContact O-CG 3.34Å; T335-K339 PolarHBondContact O-N 3.16Å; I336-K339 HydrophobicContact CD1-CD 4.1Å; I336-K339 PolarHBondContact O-N 3.36Å; K339-F341 PolarHBondContact O-N 3.22Å; K339-F342 PolarHBondContact O-N 2.72Å; K339-F342 VanDerWaalsContact O-N 3.1Å; K339-W345 HydrophobicContact CB-CD2 4.34Å; K339-W345 HydrophobicContact CB-CG 4.21Å; K339-W345 HydrophobicContact CD-CG 4.43Å; K339-W345 VanDerWaalsContact CE-NE1 3.32Å; K339-W345 HydrophobicContact CG-CD2 3.79Å; K339-W345 HydrophobicContact CG-CE3 4.38Å; K339-W345 HydrophobicContact CG-CG 3.9Å; K339-W345 HydrophobicContact CG-CZ2 4.36Å
340Q87.3Confident84.8Confident23 Ų2351.6 Ų51.611%0.10727%0.271CS..THydrogen-bonded Turntrans-55.1-26.7178.168.7169.9-45.800113.8R147 I336 I337 F338 F342R147-Q340 PolarHBondContact NH1-O 3.31Å; I336-Q340 PolarHBondContact O-N 3.47Å; I337-Q340 WeakPolarHBondContact O-CG 3.29Å; I337-Q340 PolarHBondContact O-NE2 2.88Å; F338-Q340 VanDerWaalsContact C-N 3.26Å; F338-Q340 PolarHBondContact O-N 2.62Å; Q340-F342 PolarHBondContact O-N 2.77Å
341F89.9Confident84.5Confident3 Ų354.1 Ų54.11%0.01328%0.283CS..THydrogen-bonded Turntrans-76-3.4-177.2-71.5-74.7000113.7A245 P267 F268 L281 N283 F290 I337 F338 K339A245-F341 HydrophobicContact CB-CD1 3.57Å; A245-F341 HydrophobicContact CB-CE1 3.57Å; A245-F341 HydrophobicContact CB-CG 4.43Å; A245-F341 HydrophobicContact CB-CZ 4.42Å; P267-F341 CarbonylContact C-O 3.49Å; P267-F341 WeakPolarHBondContact CA-O 3.18Å; F268-F341 HydrophobicContact CD2-CB 3.97Å; F268-F341 VanDerWaalsContact CD2-O 3.24Å; F268-F341 WeakPolarHBondContact CD2-O 3.38Å; F268-F341 HydrophobicContact CE2-CB 3.87Å; F268-F341 PolarHBondContact N-O 3Å; L281-F341 HydrophobicContact CD1-CB 3.79Å; L281-F341 HydrophobicContact CD1-CD2 3.91Å; L281-F341 HydrophobicContact CD1-CG 4.03Å; L281-F341 HydrophobicContact CD2-CD1 4.42Å; L281-F341 HydrophobicContact CD2-CD2 3.95Å; L281-F341 HydrophobicContact CD2-CE2 4.21Å; L281-F341 HydrophobicContact CD2-CG 4.07Å; N283-F341 HydrophobicContact CB-CZ 4.06Å; F290-F341 HydrophobicContact CE2-CE2 4.18Å; I337-F341 WeakPolarHBondContact O-CD2 3.38Å; I337-F341 WeakPolarHBondContact O-CE2 3.45Å; F338-F341 WeakPolarHBondContact O-CB 3.49Å; F338-F341 WeakPolarHBondContact O-CD2 3.39Å; F338-F341 PolarHBondContact O-N 2.81Å; F338-F341 VanDerWaalsContact O-N 3.09Å; K339-F341 PolarHBondContact O-N 3.22Å
342F90.5Very high84.2Confident13 Ų1353.3 Ų53.36%0.05728%0.281CS..BIsolated β-bridgetrans-111.6155-178.1-64.9-96.3000111.9L247 F268 L273 L281 F338 K339 Q340 W345L247-F342 HydrophobicContact CD2-CE1 4.43Å; F268-F342 HydrophobicContact CB-CD1 3.64Å; F268-F342 HydrophobicContact CB-CE1 3.71Å; F268-F342 HydrophobicContact CB-CG 4.32Å; F268-F342 HydrophobicContact CB-CZ 4.45Å; F268-F342 HydrophobicContact CD2-CD1 4.42Å; F268-F342 HydrophobicContact CD2-CE1 4.1Å; F268-F342 HydrophobicContact CD2-CE2 4.24Å; F268-F342 AromaticContact CD2-CZ 3.99Å; F268-F342 HydrophobicContact CD2-CZ 3.99Å; F268-F342 HydrophobicContact CG-CE1 4.35Å; F268-F342 CarbonylContact O-C 3.5Å; F268-F342 WeakPolarHBondContact O-CA 3.14Å; L273-F342 HydrophobicContact CD1-CE1 3.78Å; L273-F342 HydrophobicContact CD1-CE2 4.46Å; L273-F342 HydrophobicContact CD1-CZ 3.68Å; L273-F342 HydrophobicContact CD2-CE1 4.43Å; L273-F342 HydrophobicContact CD2-CZ 4.24Å; L273-F342 HydrophobicContact CG-CE1 3.89Å; L273-F342 HydrophobicContact CG-CZ 4.05Å; L281-F342 HydrophobicContact CD1-CE2 3.82Å; L281-F342 HydrophobicContact CD1-CZ 4.27Å; F338-F342 HydrophobicContact CD1-CD2 4.43Å; F338-F342 AromaticContact CD1-CE2 3.84Å; F338-F342 HydrophobicContact CD1-CE2 3.84Å; F338-F342 HydrophobicContact CE1-CD2 4.25Å; F338-F342 AromaticContact CE1-CE2 3.4Å; F338-F342 HydrophobicContact CE1-CE2 3.4Å; F338-F342 AromaticContact CE1-CZ 3.86Å; F338-F342 HydrophobicContact CE1-CZ 3.86Å; F338-F342 HydrophobicContact CE2-CE2 4.27Å; F338-F342 HydrophobicContact CG-CE2 4.46Å; F338-F342 AromaticContact CZ-CE2 3.65Å; F338-F342 HydrophobicContact CZ-CE2 3.65Å; F338-F342 AromaticContact CZ-CZ 3.78Å; F338-F342 HydrophobicContact CZ-CZ 3.78Å; K339-F342 PolarHBondContact O-N 2.72Å; K339-F342 VanDerWaalsContact O-N 3.1Å; Q340-F342 PolarHBondContact O-N 2.77Å; F342-W345 HydrophobicContact CB-CE3 3.74Å; F342-W345 HydrophobicContact CB-CZ3 4.37Å; F342-W345 HydrophobicContact CD1-CE3 4.24Å; F342-W345 HydrophobicContact CD1-CZ3 4.06Å; F342-W345 AromaticContact CD2-CE3 3.8Å; F342-W345 HydrophobicContact CD2-CE3 3.8Å; F342-W345 AromaticContact CD2-CZ3 3.74Å; F342-W345 HydrophobicContact CD2-CZ3 3.74Å; F342-W345 HydrophobicContact CE1-CZ3 4.32Å; F342-W345 HydrophobicContact CE2-CZ3 4.03Å; F342-W345 AromaticContact CG-CE3 3.65Å; F342-W345 HydrophobicContact CG-CE3 3.65Å; F342-W345 AromaticContact CG-CZ3 3.78Å; F342-W345 HydrophobicContact CG-CZ3 3.78Å; F342-W345 HydrophobicContact CZ-CZ3 4.32Å
343K86.8Confident84Confident122 Ų12252.9 Ų52.953%0.5326%0.258SS..SBendtrans-77.4132.3169.2-63.5172.8179.6163.30108.8P267 F268 W345P267-K343 HydrophobicContact CB-CG 3.84Å; P267-K343 HydrophobicContact CG-CG 3.92Å; P267-K343 WeakPolarHBondContact O-CE 3.48Å; F268-K343 PolarHBondContact O-N 3.42Å; K343-W345 PolarHBondContact O-N 2.92Å
344N77.8Confident83.7Confident146 Ų14651.7 Ų51.778%0.78126%0.255SS*.SBendtrans47.157.7168.1-55.1-3.4000113.6N346N344-N346 VanDerWaalsContact C-N 3.33Å; N344-N346 PolarHBondContact O-N 3.42Å
345W78.4Confident83.2Confident52 Ų5254.7 Ų54.720%0.19727%0.27CS..  trans-72.889.7175.9-166.7-68.3000110.8K270 L273 E334 F338 K339 F342 K343K270-W345 HydrophobicContact CD-CD2 4.07Å; K270-W345 HydrophobicContact CD-CE3 4.08Å; K270-W345 HydrophobicContact CD-CZ3 4.36Å; K270-W345 HydrophobicContact CG-CD2 4.48Å; K270-W345 HydrophobicContact CG-CE3 3.98Å; K270-W345 HydrophobicContact CG-CH2 4.38Å; K270-W345 HydrophobicContact CG-CZ3 3.94Å; L273-W345 HydrophobicContact CD1-CH2 3.74Å; L273-W345 HydrophobicContact CD1-CZ3 3.76Å; E334-W345 HydrophobicContact CB-CH2 4.4Å; E334-W345 HydrophobicContact CB-CZ2 4.13Å; E334-W345 HydrophobicContact CG-CH2 3.9Å; E334-W345 HydrophobicContact CG-CZ2 3.86Å; F338-W345 HydrophobicContact CD1-CH2 4.47Å; F338-W345 HydrophobicContact CD1-CZ3 4.47Å; F338-W345 AromaticContact CE1-CH2 3.94Å; F338-W345 HydrophobicContact CE1-CH2 3.94Å; F338-W345 AromaticContact CE1-CZ3 3.97Å; F338-W345 HydrophobicContact CE1-CZ3 3.97Å; K339-W345 HydrophobicContact CB-CD2 4.34Å; K339-W345 HydrophobicContact CB-CG 4.21Å; K339-W345 HydrophobicContact CD-CG 4.43Å; K339-W345 VanDerWaalsContact CE-NE1 3.32Å; K339-W345 HydrophobicContact CG-CD2 3.79Å; K339-W345 HydrophobicContact CG-CE3 4.38Å; K339-W345 HydrophobicContact CG-CG 3.9Å; K339-W345 HydrophobicContact CG-CZ2 4.36Å; F342-W345 HydrophobicContact CB-CE3 3.74Å; F342-W345 HydrophobicContact CB-CZ3 4.37Å; F342-W345 HydrophobicContact CD1-CE3 4.24Å; F342-W345 HydrophobicContact CD1-CZ3 4.06Å; F342-W345 AromaticContact CD2-CE3 3.8Å; F342-W345 HydrophobicContact CD2-CE3 3.8Å; F342-W345 AromaticContact CD2-CZ3 3.74Å; F342-W345 HydrophobicContact CD2-CZ3 3.74Å; F342-W345 HydrophobicContact CE1-CZ3 4.32Å; F342-W345 HydrophobicContact CE2-CZ3 4.03Å; F342-W345 AromaticContact CG-CE3 3.65Å; F342-W345 HydrophobicContact CG-CE3 3.65Å; F342-W345 AromaticContact CG-CZ3 3.78Å; F342-W345 HydrophobicContact CG-CZ3 3.78Å; F342-W345 HydrophobicContact CZ-CZ3 4.32Å; K343-W345 PolarHBondContact O-N 2.92Å
346N59.5Low83.2Confident185 Ų18557 Ų5799%0.98928%0.278SS*.  trans-81.10163.3-58-9.6000110.5K270 N344K270-N346 PolarHBondContact NZ-O 2.84Å; N344-N346 VanDerWaalsContact C-N 3.33Å; N344-N346 PolarHBondContact O-N 3.42Å

Retrieved 346 of 346 residues in 371.2 ms (Link to these results)

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