G4VST5_SCHMA Loading...

Nuclear inhibitor of protein phosphatase 1

AlphaFold DB , UniProt , Accession G4VST5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 428 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
1M36.3Very low48.5Very low238 Ų238131.5 Ų131.5100%1.17269%0.686SS**  082.30-71.7145.7142.500108.6
2N41.1Very low49.9Very low154 Ų154124.1 Ų124.182%0.82465%0.648SS**  trans-112.785.2176.7-78.51.8000108.5S4N2-S4 PolarHBondContact O-N 3.5Å; N2-S4 VanDerWaalsContact O-N 3.12Å
3N41.1Very low51.4Low164 Ų164126.7 Ų126.788%0.87766%0.663SS**  trans-83.366.4168.8-86.6-5000109.3R5N3-R5 PolarHBondContact O-N 3.44Å
4S48.8Very low53.3Low77 Ų77119.9 Ų119.954%0.53863%0.625SS.*  trans-81.8109.3167.9470000108.3N2N2-S4 PolarHBondContact O-N 3.5Å; N2-S4 VanDerWaalsContact O-N 3.12Å
5R51.1Low55.3Low204 Ų204119.7 Ų119.777%0.7762%0.618SS**  trans-61.8138.4172-66.6-179.9180176.7-0.7108.3N3 N7 E8N3-R5 PolarHBondContact O-N 3.44Å; R5-N7 PolarHBondContact O-N 3.39Å; R5-E8 PolarHBondContact O-N 3.19Å; R5-E8 VanDerWaalsContact O-N 3.14Å
6P50.8Low57.2Low128 Ų128114.6 Ų114.683%0.83159%0.591SS**THydrogen-bonded Turntrans-66.61.6-170.624.7-33.8000115.7
7N47.6Very low58.9Low149 Ų149109.4 Ų109.480%0.79757%0.566SS**THydrogen-bonded Turntrans-121.515.8179.7-68.3-32.8000113.1R5 L9R5-N7 PolarHBondContact O-N 3.39Å; N7-L9 PolarHBondContact O-N 3.46Å
8E50.4Low60.6Low59 Ų59111.1 Ų111.128%0.27658%0.577SS.*  trans-81.5104.7176.6-161.9152.6-125.300108.8R5 L10 K15R5-E8 PolarHBondContact O-N 3.19Å; R5-E8 VanDerWaalsContact O-N 3.14Å; E8-L10 PolarHBondContact O-N 3.32Å; E8-K15 HydrophobicContact CG-CG 4.26Å; E8-K15 WeakPolarHBondContact OE1-CD 3.43Å; E8-K15 WeakPolarHBondContact OE1-CE 3.31Å; E8-K15 WeakPolarHBondContact OE1-CG 3.29Å; E8-K15 IonicContact OE1-NZ 2.73Å; E8-K15 PolarHBondContact OE1-NZ 3.14Å; E8-K15 IonicContact OE2-NZ 3.25Å; E8-K15 PolarHBondContact OE2-NZ 2.94Å
9L51.8Low62.1Low136 Ų136107.7 Ų107.771%0.71256%0.556SS**  trans-65.587.3175.2-62.9-179000108.8N7 V11 I16N7-L9 PolarHBondContact O-N 3.46Å; L9-V11 PolarHBondContact O-N 3.26Å; L9-V11 VanDerWaalsContact O-N 3.13Å; L9-I16 HydrophobicContact CB-CD1 4.3Å; L9-I16 WeakPolarHBondContact O-CD1 3.24Å
10L55.3Low63.5Low99 Ų99103.1 Ų103.152%0.51853%0.533SS..EExtended strand (participates in β ladder)trans-68.2103.6169-80.9146.9000107.5E8 N12E8-L10 PolarHBondContact O-N 3.32Å; L10-N12 PolarHBondContact O-N 2.91Å
11V59.6Low64.7Low38 Ų3898.7 Ų98.723%0.2351%0.514CS..EExtended strand (participates in β ladder)trans-86.9105.7169.4179.70000106.2L9 N13 F14 I16L9-V11 PolarHBondContact O-N 3.26Å; L9-V11 VanDerWaalsContact O-N 3.13Å; V11-N13 PolarHBondContact O-N 2.89Å; V11-F14 PolarHBondContact N-O 2.98Å; V11-F14 WeakPolarHBondContact O-CB 3.43Å; V11-F14 PolarHBondContact O-N 2.88Å; V11-I16 HydrophobicContact CG2-CD1 3.97Å; V11-I16 HydrophobicContact CG2-CG1 4.43Å
12N64.4Low67.1Low43 Ų4395.3 Ų95.323%0.2349%0.492CS..THydrogen-bonded Turntrans52.348.5175.1-57.7-24.5000114.6L10 F14 L57 V70L10-N12 PolarHBondContact O-N 2.91Å; N12-F14 PolarHBondContact O-N 3.37Å; N12-L57 PolarHBondContact ND2-O 3.29Å; N12-V70 HydrophobicContact CB-CG1 4.04Å; N12-V70 HydrophobicContact CB-CG2 3.97Å
13N69.4Low69.4Low158 Ų15888.6 Ų88.685%0.84546%0.457SS*.THydrogen-bonded Turntrans65.87-176.2-55.9-15.6000115.4V11V11-N13 PolarHBondContact O-N 2.89Å
14F79.2Confident71.5Confident31 Ų3184.1 Ų84.114%0.13644%0.437CS..EExtended strand (participates in β ladder)trans-95.4125.5171.2-177.2-103.6000110.2V11 N12 I16 P17 V73 V75 I86 L88V11-F14 PolarHBondContact N-O 2.98Å; V11-F14 WeakPolarHBondContact O-CB 3.43Å; V11-F14 PolarHBondContact O-N 2.88Å; N12-F14 PolarHBondContact O-N 3.37Å; F14-I16 PolarHBondContact O-N 2.83Å; F14-P17 HydrophobicContact CE1-CG 4.41Å; F14-P17 HydrophobicContact CZ-CG 4.13Å; F14-V73 HydrophobicContact CD1-CG1 4.17Å; F14-V73 HydrophobicContact CD1-CG2 4.46Å; F14-V73 HydrophobicContact CE1-CG1 4.19Å; F14-V75 HydrophobicContact CE1-CG2 4.21Å; F14-I86 HydrophobicContact CE1-CD1 4.21Å; F14-I86 HydrophobicContact CE2-CD1 4.06Å; F14-I86 HydrophobicContact CE2-CG2 4.12Å; F14-I86 HydrophobicContact CZ-CD1 3.4Å; F14-I86 HydrophobicContact CZ-CG2 4.5Å; F14-L88 HydrophobicContact CB-CD2 4.07Å; F14-L88 HydrophobicContact CD2-CD2 3.44Å; F14-L88 VanDerWaalsContact CD2-CD2 3.44Å; F14-L88 HydrophobicContact CE2-CD2 4.14Å; F14-L88 HydrophobicContact CG-CD2 3.91Å
15K83Confident73.2Confident117 Ų11784.4 Ų84.451%0.50944%0.435SS..EExtended strand (participates in β ladder)trans-81113.8174.7176.3175171.6122.90108.7E8 P17E8-K15 HydrophobicContact CG-CG 4.26Å; E8-K15 WeakPolarHBondContact OE1-CD 3.43Å; E8-K15 WeakPolarHBondContact OE1-CE 3.31Å; E8-K15 WeakPolarHBondContact OE1-CG 3.29Å; E8-K15 IonicContact OE1-NZ 2.73Å; E8-K15 PolarHBondContact OE1-NZ 3.14Å; E8-K15 IonicContact OE2-NZ 3.25Å; E8-K15 PolarHBondContact OE2-NZ 2.94Å; K15-P17 WeakPolarHBondContact O-CD 3.41Å
16I85.1Confident74.8Confident38 Ų3875.1 Ų75.120%0.19540%0.403CS..  trans-59.4124177.3-59.6174.1000108.8L9 V11 F14 C48L9-I16 HydrophobicContact CB-CD1 4.3Å; L9-I16 WeakPolarHBondContact O-CD1 3.24Å; V11-I16 HydrophobicContact CG2-CD1 3.97Å; V11-I16 HydrophobicContact CG2-CG1 4.43Å; F14-I16 PolarHBondContact O-N 2.83Å; I16-C48 HydrophobicContact CD1-CB 4.19Å; I16-C48 HydrophobicContact CG1-CB 4.3Å
17P87.1Confident76.7Confident26 Ų2669.2 Ų69.217%0.16937%0.365CS..  trans-63.6148178.7-22.933.3000112.6F14 K15 W19 S20F14-P17 HydrophobicContact CE1-CG 4.41Å; F14-P17 HydrophobicContact CZ-CG 4.13Å; K15-P17 WeakPolarHBondContact O-CD 3.41Å; P17-W19 HydrophobicContact CB-CD2 3.67Å; P17-W19 HydrophobicContact CB-CE3 4.39Å; P17-W19 HydrophobicContact CB-CG 3.99Å; P17-W19 HydrophobicContact CB-CH2 4.36Å; P17-W19 HydrophobicContact CB-CZ2 3.6Å; P17-W19 HydrophobicContact CG-CD2 4.44Å; P17-W19 HydrophobicContact CG-CH2 4.09Å; P17-W19 HydrophobicContact CG-CZ2 3.5Å; P17-W19 PolarHBondContact O-N 3.45Å; P17-S20 WeakPolarHBondContact O-CB 3.19Å; P17-S20 PolarHBondContact O-N 2.94Å
18N88.1Confident78.7Confident141 Ų14162.1 Ų62.175%0.75433%0.327SS*.THydrogen-bonded Turntrans-64.4-22-179.163-13.3000114.7S20 K78N18-S20 VanDerWaalsContact C-N 3.26Å; N18-K78 PolarHBondContact O-NZ 3.39Å
19W89.9Confident80.8Confident46 Ų4659.3 Ų59.317%0.17431%0.314CS..THydrogen-bonded Turntrans-79.3-9.2174.351.3-105.3000113.1P17 V75 H77 K78 F79 F84 P106P17-W19 HydrophobicContact CB-CD2 3.67Å; P17-W19 HydrophobicContact CB-CE3 4.39Å; P17-W19 HydrophobicContact CB-CG 3.99Å; P17-W19 HydrophobicContact CB-CH2 4.36Å; P17-W19 HydrophobicContact CB-CZ2 3.6Å; P17-W19 HydrophobicContact CG-CD2 4.44Å; P17-W19 HydrophobicContact CG-CH2 4.09Å; P17-W19 HydrophobicContact CG-CZ2 3.5Å; P17-W19 PolarHBondContact O-N 3.45Å; W19-V75 HydrophobicContact CE3-CG1 4.09Å; W19-V75 HydrophobicContact CH2-CB 3.85Å; W19-V75 HydrophobicContact CH2-CG1 3.73Å; W19-V75 HydrophobicContact CZ3-CB 3.81Å; W19-V75 HydrophobicContact CZ3-CG1 3.34Å; W19-H77 AromaticContact CD2-CD2 3.43Å; W19-H77 VanDerWaalsContact CD2-CD2 3.43Å; W19-H77 AromaticContact CD2-NE2 3.97Å; W19-H77 HydrophobicContact CE3-CB 3.88Å; W19-H77 AromaticContact CE3-CD2 3.16Å; W19-H77 AromaticContact CE3-CG 3.75Å; W19-H77 AromaticContact CG-CD2 3.75Å; W19-H77 AromaticContact CG-NE2 3.77Å; W19-H77 HydrophobicContact CZ3-CB 4.06Å; W19-H77 AromaticContact CZ3-CD2 3.84Å; W19-K78 WeakPolarHBondContact O-CG 3.34Å; W19-K78 PolarHBondContact O-N 2.83Å; W19-F79 HydrophobicContact CB-CD2 4.23Å; W19-F79 HydrophobicContact CB-CE2 4.21Å; W19-F84 HydrophobicContact CH2-CB 3.99Å; W19-F84 HydrophobicContact CH2-CG 4.27Å; W19-F84 HydrophobicContact CZ3-CB 4.34Å; W19-F84 HydrophobicContact CZ3-CD2 4.32Å; W19-F84 HydrophobicContact CZ3-CG 4.48Å; W19-P106 HydrophobicContact CZ2-CB 4.34Å
20S90.3Very high82.8Confident15 Ų1552.9 Ų52.911%0.10528%0.28CS..BIsolated β-bridgetrans-63.6137.5172.9-175.20000110.4P17 N18 S47 V75 W76P17-S20 WeakPolarHBondContact O-CB 3.19Å; P17-S20 PolarHBondContact O-N 2.94Å; N18-S20 VanDerWaalsContact C-N 3.26Å; S20-S47 WeakPolarHBondContact OG-CB 3.34Å; S20-S47 PolarHBondContact OG-O 3.05Å; S20-S47 PolarHBondContact OG-OG 3.4Å; S20-V75 WeakPolarHBondContact OG-CG1 3.31Å; S20-W76 VanDerWaalsContact CA-O 3.26Å; S20-W76 WeakPolarHBondContact CA-O 3.43Å
21G88.6Confident84.6Confident12 Ų1248.3 Ų48.312%0.12426%0.256CS..  trans-154.9-177171.600000111.9S47 W76G21-S47 VanDerWaalsContact O-CA 3.3Å; G21-S47 WeakPolarHBondContact O-CA 3.37Å; G21-S47 WeakPolarHBondContact O-CB 3.37Å; G21-W76 PolarHBondContact N-O 3.44Å
22K87.4Confident86.3Confident167 Ų16748 Ų4873%0.72625%0.253SS*.PPolyproline II helixtrans-74.4130.5-176.2-68.5-171.8174.6-172.40110.9
23P88.5Confident87.7Confident13 Ų1350 Ų508%0.08426%0.259CS..PPolyproline II helixtrans-64.4153.8170.711.5-13.7000112.7L27 I43 K46 W76P23-L27 HydrophobicContact CB-CD1 3.52Å; P23-I43 WeakPolarHBondContact CG-O 3.45Å; P23-K46 WeakPolarHBondContact CD-O 3.21Å; P23-W76 VanDerWaalsContact CA-CD1 3.49Å; P23-W76 HydrophobicContact CB-CB 4.33Å; P23-W76 HydrophobicContact CB-CD2 3.67Å; P23-W76 HydrophobicContact CB-CE3 4.13Å; P23-W76 HydrophobicContact CB-CG 3.73Å; P23-W76 HydrophobicContact CG-CB 4.17Å; P23-W76 HydrophobicContact CG-CD2 4.42Å; P23-W76 HydrophobicContact CG-CG 4.09Å
24P85.1Confident88.8Confident70 Ų7048.6 Ų48.646%0.45525%0.252SS..PPolyproline II helixtrans-57.2149.6164.7-22.533.1000111.9G26 W76P24-G26 PolarHBondContact O-N 3.06Å; P24-W76 VanDerWaalsContact CD-CZ2 3.48Å; P24-W76 HydrophobicContact CG-CZ2 4.3Å
25T84.5Confident89.2Confident82 Ų8250.4 Ų50.450%0.50328%0.28SS..THydrogen-bonded Turntrans-64.7130.2175.746.50000110.5Y134T25-Y134 WeakPolarHBondContact OG1-CE1 3.25Å
26G84.9Confident89.7Confident9 Ų952.5 Ų52.59%0.09329%0.289CS..THydrogen-bonded Turntrans119.8-13.3178.600000114.9P24 H28 R129P24-G26 PolarHBondContact O-N 3.06Å; G26-H28 PolarHBondContact O-ND1 3.02Å; G26-H28 VanDerWaalsContact O-ND1 3.13Å; G26-R129 WeakPolarHBondContact O-CB 3.32Å; G26-R129 PolarHBondContact O-N 3.49Å
27L89.8Confident90Very high4 Ų453.3 Ų53.32%0.02129%0.293CS..EExtended strand (participates in β ladder)trans-72.8131.3176.3-75.5157000111.7P23 I43 W76 I111 I126 E128P23-L27 HydrophobicContact CB-CD1 3.52Å; L27-I43 HydrophobicContact CB-CD1 4.19Å; L27-I43 HydrophobicContact CB-CG1 3.81Å; L27-I43 WeakPolarHBondContact O-CG1 2.84Å; L27-I43 PolarHBondContact O-N 3.35Å; L27-I43 VanDerWaalsContact O-N 3.08Å; L27-W76 HydrophobicContact CD1-CD2 4.4Å; L27-W76 HydrophobicContact CD1-CE3 3.97Å; L27-W76 HydrophobicContact CD1-CH2 3.29Å; L27-W76 HydrophobicContact CD1-CZ2 3.76Å; L27-W76 HydrophobicContact CD1-CZ3 3.41Å; L27-W76 VanDerWaalsContact CD1-CZ3 3.41Å; L27-W76 HydrophobicContact CD2-CH2 4.24Å; L27-W76 HydrophobicContact CD2-CZ3 4.14Å; L27-W76 HydrophobicContact CG-CH2 4.4Å; L27-W76 HydrophobicContact CG-CZ3 4.42Å; L27-I111 HydrophobicContact CD2-CD1 4.22Å; L27-I126 HydrophobicContact CD2-CG2 4.35Å; L27-E128 HydrophobicContact CD2-CG 3.55Å; L27-E128 HydrophobicContact CG-CG 4.31Å
28H91.5Very high90.1Very high1 Ų155.9 Ų55.91%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-144.6163.1178.961.1-85.1000111.2G26 D30 K40 L41 I42 R127 E128 F191G26-H28 PolarHBondContact O-ND1 3.02Å; G26-H28 VanDerWaalsContact O-ND1 3.13Å; H28-D30 IonicContact CD2-OD1 3.13Å; H28-D30 PolarHBondContact CD2-OD1 3.37Å; H28-D30 VanDerWaalsContact CD2-OD1 3.27Å; H28-D30 IonicContact NE2-OD1 3.62Å; H28-K40 HydrophobicContact CB-CG 4.1Å; H28-K40 VanDerWaalsContact CD2-CD 3.46Å; H28-K40 WeakPolarHBondContact CD2-CD 3.35Å; H28-K40 VanDerWaalsContact CD2-CG 3.49Å; H28-K40 WeakPolarHBondContact CD2-CG 3.42Å; H28-K40 PolarHBondContact CD2-NZ 3.26Å; H28-K40 VanDerWaalsContact CD2-NZ 3.27Å; H28-K40 PolarHBondContact NE2-NZ 3.22Å; H28-L41 CarbonylContact C-O 3.53Å; H28-L41 VanDerWaalsContact CA-O 3.31Å; H28-L41 WeakPolarHBondContact CA-O 3.38Å; H28-I42 HydrophobicContact CB-CD1 3.94Å; H28-R127 PolarHBondContact N-O 3.03Å; H28-R127 PolarHBondContact ND1-O 2.67Å; H28-R127 WeakPolarHBondContact NE2-CB 3.4Å; H28-R127 PolarHBondContact O-N 3.26Å; H28-E128 VanDerWaalsContact CE1-C 3.42Å; H28-E128 PolarHBondContact CE1-O 3.06Å; H28-E128 VanDerWaalsContact CE1-O 3.26Å; H28-F191 HydrophobicContact CB-CD2 4.19Å; H28-F191 HydrophobicContact CB-CE2 4.21Å; H28-F191 AromaticContact CE1-CD2 3.92Å; H28-F191 AromaticContact CG-CD2 3.84Å; H28-F191 AromaticContact ND1-CD2 3.44Å; H28-F191 WeakPolarHBondContact ND1-CD2 3.18Å; H28-F191 AromaticContact ND1-CE2 3.68Å
29L92.9Very high90.3Very high0 Ų053.3 Ų53.30%029%0.288CS..EExtended strand (participates in β ladder)trans-119119.5178.8-171.677.4000108.7L41 I43 F51 Y124 I125 I126L29-L41 HydrophobicContact CB-CB 4.22Å; L29-L41 HydrophobicContact CD2-CD1 4.28Å; L29-L41 PolarHBondContact N-O 3.37Å; L29-L41 PolarHBondContact O-N 3.26Å; L29-I43 HydrophobicContact CB-CG2 4.35Å; L29-F51 HydrophobicContact CD2-CE1 3.57Å; L29-F51 HydrophobicContact CD2-CZ 3.62Å; L29-Y124 HydrophobicContact CD2-CD1 3.55Å; L29-Y124 HydrophobicContact CD2-CE1 4.45Å; L29-Y124 HydrophobicContact CD2-CG 4.26Å; L29-Y124 HydrophobicContact CG-CD1 4.15Å; L29-I125 CarbonylContact C-O 3.55Å; L29-I125 WeakPolarHBondContact CA-O 3.38Å; L29-I126 HydrophobicContact CD1-CB 4.41Å; L29-I126 HydrophobicContact CD1-CG1 3.56Å
30D93.8Very high90.3Very high0 Ų051.3 Ų51.30%028%0.281CS..EExtended strand (participates in β ladder)trans-87.3124.1175.7-74.5-11.6000109.8H28 L32 L37 K40 Y124 I125 R127H28-D30 IonicContact CD2-OD1 3.13Å; H28-D30 PolarHBondContact CD2-OD1 3.37Å; H28-D30 VanDerWaalsContact CD2-OD1 3.27Å; H28-D30 IonicContact NE2-OD1 3.62Å; D30-L32 HydrophobicContact CB-CD1 3.95Å; D30-L37 HydrophobicContact CB-CD1 3.75Å; D30-K40 VanDerWaalsContact CG-NZ 3.33Å; D30-K40 WeakPolarHBondContact OD1-CE 3.43Å; D30-K40 WeakPolarHBondContact OD1-CG 3.16Å; D30-K40 IonicContact OD1-NZ 2.66Å; D30-K40 PolarHBondContact OD1-NZ 3.18Å; D30-K40 IonicContact OD2-NZ 3.27Å; D30-K40 PolarHBondContact OD2-NZ 3.4Å; D30-Y124 CarbonylContact O-C 3.58Å; D30-Y124 VanDerWaalsContact O-CA 3.3Å; D30-Y124 WeakPolarHBondContact O-CA 3.47Å; D30-I125 HydrophobicContact CB-CB 4.47Å; D30-I125 PolarHBondContact N-O 2.83Å; D30-I125 PolarHBondContact O-N 3.35Å; D30-R127 WeakPolarHBondContact OD2-CD 3.48Å; D30-R127 IonicContact OD2-CZ 3.46Å; D30-R127 IonicContact OD2-NE 3.32Å; D30-R127 IonicContact OD2-NH1 2.92Å; D30-R127 PolarHBondContact OD2-NH1 2.93Å
31V94.6Very high90.4Very high3 Ų351.6 Ų51.62%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-100.5106.2176-171.70000108.5L37 I38 Q39 L41 R122 V123 Y124V31-L37 WeakPolarHBondContact O-CD1 3.25Å; V31-I38 WeakPolarHBondContact O-CB 3.26Å; V31-I38 PolarHBondContact O-N 3.04Å; V31-Q39 HydrophobicContact CB-CB 4.35Å; V31-Q39 VanDerWaalsContact CB-O 3.23Å; V31-Q39 WeakPolarHBondContact CB-O 3.34Å; V31-Q39 VanDerWaalsContact CG2-O 3.28Å; V31-Q39 WeakPolarHBondContact CG2-O 3.38Å; V31-Q39 PolarHBondContact N-O 3.37Å; V31-Q39 PolarHBondContact O-N 2.9Å; V31-L41 HydrophobicContact CG2-CD1 3.57Å; V31-L41 HydrophobicContact CG2-CG 4.01Å; V31-R122 HydrophobicContact CG1-CB 4.1Å; V31-R122 HydrophobicContact CG1-CG 4.28Å; V31-V123 CarbonylContact C-O 3.54Å; V31-V123 WeakPolarHBondContact CA-O 3.28Å; V31-Y124 HydrophobicContact CB-CD1 4.37Å; V31-Y124 HydrophobicContact CB-CE1 4.26Å; V31-Y124 HydrophobicContact CG1-CD1 4.24Å; V31-Y124 HydrophobicContact CG1-CE1 3.81Å; V31-Y124 HydrophobicContact CG2-CD1 3.61Å; V31-Y124 HydrophobicContact CG2-CE1 3.51Å
32L94.7Very high90.5Very high32 Ų3251.7 Ų51.717%0.16828%0.278CS..EExtended strand (participates in β ladder)trans-100149.5176.5-58.791.2000110.7D30 K36 L37 R122 V123 I125D30-L32 HydrophobicContact CB-CD1 3.95Å; L32-K36 CarbonylContact C-O 3.48Å; L32-K36 WeakPolarHBondContact CA-O 3.32Å; L32-L37 HydrophobicContact CG-CD1 4.42Å; L32-R122 CarbonylContact O-C 3.5Å; L32-R122 WeakPolarHBondContact O-CA 3.4Å; L32-V123 HydrophobicContact CB-CB 4.4Å; L32-V123 PolarHBondContact N-O 3.44Å; L32-V123 PolarHBondContact O-N 3.16Å; L32-I125 HydrophobicContact CD1-CB 4.37Å; L32-I125 HydrophobicContact CD1-CD1 3.61Å; L32-I125 HydrophobicContact CD1-CG1 3.83Å
33K93.7Very high90.7Very high84 Ų8444 Ų4437%0.36525%0.245SC..EExtended strand (participates in β ladder)trans-144.9132.4169.3-171.5-163.8172.4-165.90108.2G35 K36 I38 R122K33-G35 PolarHBondContact O-N 3.04Å; K33-G35 VanDerWaalsContact O-N 3.15Å; K33-K36 PolarHBondContact N-O 3.37Å; K33-K36 PolarHBondContact O-N 3.08Å; K33-I38 HydrophobicContact CB-CD1 3.21Å; K33-I38 HydrophobicContact CB-CG1 3.79Å; K33-I38 HydrophobicContact CD-CD1 3.65Å; K33-I38 HydrophobicContact CG-CD1 4.02Å; K33-R122 HydrophobicContact CB-CG 4.39Å; K33-R122 HydrophobicContact CG-CG 4.46Å
34D91.9Very high90.6Very high129 Ų12944.4 Ų44.469%0.6925%0.247SC*.THydrogen-bonded Turntrans53.634.9-178.8-47.6-42000112K36D34-K36 PolarHBondContact O-N 3.42Å
35G88.7Confident90.6Very high70 Ų7046.1 Ų46.172%0.72225%0.249SC*.THydrogen-bonded Turntrans77.3-5.2-176.500000115.7K33K33-G35 PolarHBondContact O-N 3.04Å; K33-G35 VanDerWaalsContact O-N 3.15Å
36K92.5Very high90.8Very high160 Ų16046.9 Ų46.970%0.69625%0.245SC*.EExtended strand (participates in β ladder)trans-98.5135.2-179.4-61.7-177.7-178.9-1790111L32 K33 D34 I38L32-K36 CarbonylContact C-O 3.48Å; L32-K36 WeakPolarHBondContact CA-O 3.32Å; K33-K36 PolarHBondContact N-O 3.37Å; K33-K36 PolarHBondContact O-N 3.08Å; D34-K36 PolarHBondContact O-N 3.42Å; K36-I38 PolarHBondContact O-N 3.45Å
37L90.8Very high90.9Very high55 Ų5548 Ų4829%0.28825%0.252SS..EExtended strand (participates in β ladder)trans-69.4115.6171.9-175.247.3000109.2D30 V31 L32 E190D30-L37 HydrophobicContact CB-CD1 3.75Å; V31-L37 WeakPolarHBondContact O-CD1 3.25Å; L32-L37 HydrophobicContact CG-CD1 4.42Å; L37-E190 VanDerWaalsContact CD2-CD 3.48Å; L37-E190 WeakPolarHBondContact CD2-OE2 3.45Å; L37-E190 WeakPolarHBondContact CG-OE1 3.42Å; L37-E190 WeakPolarHBondContact CG-OE2 3.19Å
38I91.2Very high91Very high81 Ų8148.2 Ų48.242%0.41525%0.253SS..EExtended strand (participates in β ladder)trans-86.7-49.4177.7-64.8-170.7000109.9V31 K33 K36V31-I38 WeakPolarHBondContact O-CB 3.26Å; V31-I38 PolarHBondContact O-N 3.04Å; K33-I38 HydrophobicContact CB-CD1 3.21Å; K33-I38 HydrophobicContact CB-CG1 3.79Å; K33-I38 HydrophobicContact CD-CD1 3.65Å; K33-I38 HydrophobicContact CG-CD1 4.02Å; K36-I38 PolarHBondContact O-N 3.45Å
39Q90.7Very high91.1Very high87 Ų8748.6 Ų48.641%0.40726%0.255SS..EExtended strand (participates in β ladder)trans-156.5130.2-167.7-176.2173.99.900111V31 L41V31-Q39 HydrophobicContact CB-CB 4.35Å; V31-Q39 VanDerWaalsContact CB-O 3.23Å; V31-Q39 WeakPolarHBondContact CB-O 3.34Å; V31-Q39 VanDerWaalsContact CG2-O 3.28Å; V31-Q39 WeakPolarHBondContact CG2-O 3.38Å; V31-Q39 PolarHBondContact N-O 3.37Å; V31-Q39 PolarHBondContact O-N 2.9Å; Q39-L41 HydrophobicContact CG-CD2 3.88Å; Q39-L41 HydrophobicContact CG-CG 4.29Å; Q39-L41 VanDerWaalsContact NE2-CD2 3.33Å
40K91.2Very high91.1Very high4 Ų448.6 Ų48.62%0.01726%0.255CS..EExtended strand (participates in β ladder)trans-91.9127.5165.3-166172.4-66.3-79.50111.4H28 D30 E190 F191 A194H28-K40 HydrophobicContact CB-CG 4.1Å; H28-K40 VanDerWaalsContact CD2-CD 3.46Å; H28-K40 WeakPolarHBondContact CD2-CD 3.35Å; H28-K40 VanDerWaalsContact CD2-CG 3.49Å; H28-K40 WeakPolarHBondContact CD2-CG 3.42Å; H28-K40 PolarHBondContact CD2-NZ 3.26Å; H28-K40 VanDerWaalsContact CD2-NZ 3.27Å; H28-K40 PolarHBondContact NE2-NZ 3.22Å; D30-K40 VanDerWaalsContact CG-NZ 3.33Å; D30-K40 WeakPolarHBondContact OD1-CE 3.43Å; D30-K40 WeakPolarHBondContact OD1-CG 3.16Å; D30-K40 IonicContact OD1-NZ 2.66Å; D30-K40 PolarHBondContact OD1-NZ 3.18Å; D30-K40 IonicContact OD2-NZ 3.27Å; D30-K40 PolarHBondContact OD2-NZ 3.4Å; K40-E190 HydrophobicContact CB-CG 3.81Å; K40-E190 WeakPolarHBondContact CB-OE1 3.45Å; K40-E190 HydrophobicContact CD-CB 4.42Å; K40-E190 HydrophobicContact CD-CG 4.16Å; K40-E190 PolarHBondContact N-OE1 3.25Å; K40-E190 VanDerWaalsContact N-OE1 3.12Å; K40-F191 VanDerWaalsContact CD-CA 3.47Å; K40-F191 HydrophobicContact CD-CB 3.85Å; K40-F191 HydrophobicContact CD-CD2 4.36Å; K40-A194 HydrophobicContact CB-CB 4.04Å; K40-A194 HydrophobicContact CG-CB 4.44Å; K40-A194 WeakPolarHBondContact O-CB 3.28Å
41L91.2Very high91.2Very high20 Ų2048.7 Ų48.711%0.10526%0.255CS..EExtended strand (participates in β ladder)trans-113.3120.8-177.8-62.3172.1000109.7H28 L29 V31 Q39 F60H28-L41 CarbonylContact C-O 3.53Å; H28-L41 VanDerWaalsContact CA-O 3.31Å; H28-L41 WeakPolarHBondContact CA-O 3.38Å; L29-L41 HydrophobicContact CB-CB 4.22Å; L29-L41 HydrophobicContact CD2-CD1 4.28Å; L29-L41 PolarHBondContact N-O 3.37Å; L29-L41 PolarHBondContact O-N 3.26Å; V31-L41 HydrophobicContact CG2-CD1 3.57Å; V31-L41 HydrophobicContact CG2-CG 4.01Å; Q39-L41 HydrophobicContact CG-CD2 3.88Å; Q39-L41 HydrophobicContact CG-CG 4.29Å; Q39-L41 VanDerWaalsContact NE2-CD2 3.33Å; L41-F60 HydrophobicContact CB-CD1 4.25Å; L41-F60 HydrophobicContact CB-CE1 3.74Å; L41-F60 HydrophobicContact CB-CZ 4.04Å; L41-F60 HydrophobicContact CD1-CB 4.34Å; L41-F60 HydrophobicContact CD1-CD1 3.61Å; L41-F60 HydrophobicContact CD1-CE1 3.99Å; L41-F60 HydrophobicContact CD1-CG 3.92Å; L41-F60 HydrophobicContact CD2-CD1 3.86Å; L41-F60 HydrophobicContact CD2-CE1 3.87Å; L41-F60 HydrophobicContact CG-CD1 4.12Å; L41-F60 HydrophobicContact CG-CE1 4.08Å
42I90.9Very high91.1Very high14 Ų1448.6 Ų48.67%0.07225%0.254CS..EExtended strand (participates in β ladder)trans-81.2129.8-177.8-52.7-57.5000110.1H28 D44 F191 A194H28-I42 HydrophobicContact CB-CD1 3.94Å; I42-D44 HydrophobicContact CG2-CB 4.25Å; I42-D44 WeakPolarHBondContact CG2-OD1 3.29Å; I42-D44 VanDerWaalsContact CG2-OD2 3.27Å; I42-D44 WeakPolarHBondContact CG2-OD2 3.3Å; I42-F191 HydrophobicContact CD1-CD2 3.89Å; I42-F191 HydrophobicContact CD1-CE2 3.76Å; I42-F191 HydrophobicContact CD1-CG 4.47Å; I42-F191 HydrophobicContact CD1-CZ 4.25Å; I42-A194 HydrophobicContact CD1-CB 4.15Å; I42-A194 HydrophobicContact CG1-CB 4.28Å
43I91.2Very high91.1Very high5 Ų554 Ų543%0.02627%0.272CS..  trans-118.524-175.860.9168.6000113.6P23 L27 L29 Y49 F60 L74 I126P23-I43 WeakPolarHBondContact CG-O 3.45Å; L27-I43 HydrophobicContact CB-CD1 4.19Å; L27-I43 HydrophobicContact CB-CG1 3.81Å; L27-I43 WeakPolarHBondContact O-CG1 2.84Å; L27-I43 PolarHBondContact O-N 3.35Å; L27-I43 VanDerWaalsContact O-N 3.08Å; L29-I43 HydrophobicContact CB-CG2 4.35Å; I43-Y49 VanDerWaalsContact CA-CZ 3.47Å; I43-Y49 VanDerWaalsContact CA-OH 3.32Å; I43-Y49 WeakPolarHBondContact CA-OH 3.38Å; I43-Y49 HydrophobicContact CB-CD2 4.06Å; I43-Y49 HydrophobicContact CB-CE2 3.64Å; I43-Y49 HydrophobicContact CG2-CD2 4.15Å; I43-Y49 HydrophobicContact CG2-CE2 4.13Å; I43-Y49 HydrophobicContact CG2-CG 4.41Å; I43-Y49 WeakPolarHBondContact O-CE2 3.02Å; I43-Y49 PolarHBondContact O-OH 3.3Å; I43-F60 HydrophobicContact CG2-CE2 3.76Å; I43-F60 HydrophobicContact CG2-CZ 3.8Å; I43-L74 HydrophobicContact CD1-CD2 4.03Å; I43-I126 HydrophobicContact CD1-CG2 4.3Å
44D87.5Confident91Very high22 Ų2252 Ų5212%0.11827%0.266CS..SBendtrans-85.9-22.5-175.757.85.7000116.2I42 Y49 R198I42-D44 HydrophobicContact CG2-CB 4.25Å; I42-D44 WeakPolarHBondContact CG2-OD1 3.29Å; I42-D44 VanDerWaalsContact CG2-OD2 3.27Å; I42-D44 WeakPolarHBondContact CG2-OD2 3.3Å; D44-Y49 PolarHBondContact N-OH 3.23Å; D44-R198 IonicContact OD1-CZ 3.99Å; D44-R198 IonicContact OD1-NH1 2.98Å; D44-R198 PolarHBondContact OD1-NH1 2.86Å
45E85Confident90.8Very high107 Ų10752.6 Ų52.650%0.526%0.262SS..SBendtrans-86.3-45.3-170-82-176.7-165.200115Y49 R198E45-Y49 PolarHBondContact N-OH 2.89Å; E45-R198 IonicContact OE1-CZ 2.77Å; E45-R198 IonicContact OE1-NE 3.89Å; E45-R198 PolarHBondContact OE1-NE 3.4Å; E45-R198 IonicContact OE1-NH1 3.82Å; E45-R198 PolarHBondContact OE1-NH1 3.31Å; E45-R198 IonicContact OE1-NH2 3.58Å; E45-R198 PolarHBondContact OE1-NH2 3.36Å; E45-R198 IonicContact OE2-CZ 2.86Å; E45-R198 IonicContact OE2-NE 3.27Å; E45-R198 PolarHBondContact OE2-NE 3.02Å; E45-R198 IonicContact OE2-NH2 2.69Å; E45-R198 PolarHBondContact OE2-NH2 3.44Å
46K87.9Confident90.8Very high98 Ų9857.9 Ų57.943%0.42627%0.268SS..  trans-97.6149.5-175.4-57.6-176.2-177.3-178.20110.5P23 C48 Y49 D59P23-K46 WeakPolarHBondContact CD-O 3.21Å; K46-C48 WeakPolarHBondContact CB-O 3.22Å; K46-C48 PolarHBondContact O-N 3.33Å; K46-Y49 HydrophobicContact CB-CD1 4.49Å; K46-Y49 HydrophobicContact CB-CE1 3.94Å; K46-Y49 HydrophobicContact CB-CE2 4.02Å; K46-Y49 HydrophobicContact CD-CE1 4.19Å; K46-Y49 HydrophobicContact CG-CE1 4.17Å; K46-Y49 PolarHBondContact N-OH 2.92Å; K46-Y49 WeakPolarHBondContact O-CE2 3.42Å; K46-D59 IonicContact NZ-OD1 2.62Å; K46-D59 PolarHBondContact NZ-OD1 3.2Å
47S87.8Confident90.4Very high33 Ų3354.4 Ų54.423%0.23126%0.257CS..SBendtrans-78.3-12.1175.271.80000113.3S20 G21 W76S20-S47 WeakPolarHBondContact OG-CB 3.34Å; S20-S47 PolarHBondContact OG-O 3.05Å; S20-S47 PolarHBondContact OG-OG 3.4Å; G21-S47 VanDerWaalsContact O-CA 3.3Å; G21-S47 WeakPolarHBondContact O-CA 3.37Å; G21-S47 WeakPolarHBondContact O-CB 3.37Å; S47-W76 PolarHBondContact O-N 3.19Å
48C91.3Very high90.4Very high7 Ų752.2 Ų52.25%0.04725%0.246CC..EExtended strand (participates in β ladder)trans-149.1132-173176.30000108.9I16 K46 V73 L74I16-C48 HydrophobicContact CD1-CB 4.19Å; I16-C48 HydrophobicContact CG1-CB 4.3Å; K46-C48 WeakPolarHBondContact CB-O 3.22Å; K46-C48 PolarHBondContact O-N 3.33Å; C48-V73 WeakPolarHBondContact SG-CG1 3.38Å; C48-L74 CarbonylContact C-O 3.52Å; C48-L74 VanDerWaalsContact CA-O 3.31Å; C48-L74 WeakPolarHBondContact CA-O 3.39Å
49Y93.3Very high90.4Very high10 Ų1051 Ų514%0.03924%0.241CC..EExtended strand (participates in β ladder)trans-127.1133.9175.5-67-86.5000110.1I43 D44 E45 K46 D59 F60 V73 L74I43-Y49 VanDerWaalsContact CA-CZ 3.47Å; I43-Y49 VanDerWaalsContact CA-OH 3.32Å; I43-Y49 WeakPolarHBondContact CA-OH 3.38Å; I43-Y49 HydrophobicContact CB-CD2 4.06Å; I43-Y49 HydrophobicContact CB-CE2 3.64Å; I43-Y49 HydrophobicContact CG2-CD2 4.15Å; I43-Y49 HydrophobicContact CG2-CE2 4.13Å; I43-Y49 HydrophobicContact CG2-CG 4.41Å; I43-Y49 WeakPolarHBondContact O-CE2 3.02Å; I43-Y49 PolarHBondContact O-OH 3.3Å; D44-Y49 PolarHBondContact N-OH 3.23Å; E45-Y49 PolarHBondContact N-OH 2.89Å; K46-Y49 HydrophobicContact CB-CD1 4.49Å; K46-Y49 HydrophobicContact CB-CE1 3.94Å; K46-Y49 HydrophobicContact CB-CE2 4.02Å; K46-Y49 HydrophobicContact CD-CE1 4.19Å; K46-Y49 HydrophobicContact CG-CE1 4.17Å; K46-Y49 PolarHBondContact N-OH 2.92Å; K46-Y49 WeakPolarHBondContact O-CE2 3.42Å; Y49-D59 HydrophobicContact CD1-CB 4.08Å; Y49-F60 HydrophobicContact CD1-CD2 4.31Å; Y49-F60 AromaticContact CD1-CE2 3.39Å; Y49-F60 HydrophobicContact CD1-CE2 3.39Å; Y49-F60 AromaticContact CD1-CZ 3.62Å; Y49-F60 HydrophobicContact CD1-CZ 3.62Å; Y49-F60 HydrophobicContact CE1-CE2 4.19Å; Y49-F60 AromaticContact CE1-CZ 3.99Å; Y49-F60 HydrophobicContact CE1-CZ 3.99Å; Y49-F60 HydrophobicContact CG-CD2 4.45Å; Y49-F60 AromaticContact CG-CE2 3.62Å; Y49-F60 HydrophobicContact CG-CE2 3.62Å; Y49-F60 HydrophobicContact CG-CZ 4.26Å; Y49-V73 CarbonylContact O-C 3.55Å; Y49-V73 WeakPolarHBondContact O-CA 3.27Å; Y49-L74 PolarHBondContact N-O 3.31Å; Y49-L74 PolarHBondContact O-N 3.46Å
50S93.3Very high90.5Very high0 Ų048 Ų480%023%0.226CC..EExtended strand (participates in β ladder)trans-103.9135.6-178.854.80000111.8C58 D59 F60S50-C58 VanDerWaalsContact OG-CA 3.32Å; S50-C58 WeakPolarHBondContact OG-CA 3.49Å; S50-D59 PolarHBondContact N-OD2 3.36Å; S50-D59 PolarHBondContact O-N 2.98Å; S50-D59 VanDerWaalsContact O-N 3.15Å; S50-D59 PolarHBondContact OG-N 2.76Å; S50-D59 VanDerWaalsContact OG-N 3.14Å; S50-D59 PolarHBondContact OG-OD2 3.29Å; S50-F60 PolarHBondContact O-N 2.71Å
51F94.9Very high90.5Very high2 Ų249 Ų491%0.00924%0.236CC..EExtended strand (participates in β ladder)trans-111.1135.8177.5-64.5-92.6000110L29 F60 V62 H71 A72 L74 F117 Y124L29-F51 HydrophobicContact CD2-CE1 3.57Å; L29-F51 HydrophobicContact CD2-CZ 3.62Å; F51-F60 WeakPolarHBondContact CA-O 3.23Å; F51-F60 HydrophobicContact CD1-CB 3.72Å; F51-F60 HydrophobicContact CD1-CD2 4.17Å; F51-F60 HydrophobicContact CD1-CG 4.41Å; F51-F60 HydrophobicContact CE1-CB 3.76Å; F51-F60 AromaticContact CE1-CD2 3.5Å; F51-F60 HydrophobicContact CE1-CD2 3.5Å; F51-F60 HydrophobicContact CE1-CE2 4.44Å; F51-F60 AromaticContact CE1-CG 3.98Å; F51-F60 HydrophobicContact CE1-CG 3.98Å; F51-F60 HydrophobicContact CE2-CD2 4.14Å; F51-F60 AromaticContact CZ-CD2 3.49Å; F51-F60 HydrophobicContact CZ-CD2 3.49Å; F51-F60 VanDerWaalsContact CZ-CD2 3.49Å; F51-F60 HydrophobicContact CZ-CE2 4.11Å; F51-F60 HydrophobicContact CZ-CG 4.41Å; F51-V62 HydrophobicContact CB-CG2 4.14Å; F51-V62 HydrophobicContact CD1-CG2 4.3Å; F51-H71 WeakPolarHBondContact O-CA 3.21Å; F51-H71 WeakPolarHBondContact O-CB 3.46Å; F51-H71 PolarHBondContact O-N 3.17Å; F51-A72 PolarHBondContact N-O 3.05Å; F51-A72 PolarHBondContact O-N 2.87Å; F51-L74 HydrophobicContact CD2-CB 4.48Å; F51-L74 HydrophobicContact CE2-CB 3.63Å; F51-L74 HydrophobicContact CE2-CD2 4.44Å; F51-L74 HydrophobicContact CZ-CB 4.49Å; F51-F117 HydrophobicContact CB-CE1 4.26Å; F51-F117 HydrophobicContact CB-CE2 4.21Å; F51-F117 HydrophobicContact CB-CZ 3.95Å; F51-F117 AromaticContact CD1-CE2 3.54Å; F51-F117 HydrophobicContact CD1-CE2 3.54Å; F51-F117 AromaticContact CD1-CZ 3.66Å; F51-F117 HydrophobicContact CD1-CZ 3.66Å; F51-F117 AromaticContact CD2-CZ 3.92Å; F51-F117 HydrophobicContact CD2-CZ 3.92Å; F51-F117 HydrophobicContact CE1-CE2 4.05Å; F51-F117 HydrophobicContact CE1-CZ 4.13Å; F51-F117 HydrophobicContact CE2-CZ 4.38Å; F51-F117 HydrophobicContact CG-CE1 4.26Å; F51-F117 AromaticContact CG-CE2 3.86Å; F51-F117 HydrophobicContact CG-CE2 3.86Å; F51-F117 AromaticContact CG-CZ 3.54Å; F51-F117 HydrophobicContact CG-CZ 3.54Å; F51-F117 HydrophobicContact CZ-CZ 4.47Å; F51-Y124 HydrophobicContact CE1-CD1 4.43Å; F51-Y124 HydrophobicContact CE1-CE1 4.5Å
52G94.1Very high90.6Very high0 Ų048.1 Ų48.10%023%0.231CC..EExtended strand (participates in β ladder)trans174.9175.7174.100000113.2N54 F60 A61 V62 R69G52-N54 VanDerWaalsContact C-N 3.27Å; G52-N54 PolarHBondContact O-N 2.95Å; G52-F60 PolarHBondContact N-O 3.34Å; G52-A61 CarbonylContact O-C 3.47Å; G52-A61 VanDerWaalsContact O-CA 3.29Å; G52-A61 WeakPolarHBondContact O-CA 3.3Å; G52-V62 PolarHBondContact O-N 2.98Å; G52-R69 CarbonylContact C-O 3.58Å; G52-R69 WeakPolarHBondContact CA-O 3.44Å
53R93.8Very high90.6Very high145 Ų14551.4 Ų51.455%0.54725%0.248SC..SBendtrans-70.4-22-179.1-173.9176.8168.8-170.5-2.8113.2V62 S68 R69R53-V62 WeakPolarHBondContact CA-O 3.28Å; R53-S68 PolarHBondContact N-O 3.02Å; R53-R69 PolarHBondContact N-O 3.03Å
54N90.9Very high90.8Very high43 Ų4353.4 Ų53.423%0.2326%0.258CS..  trans-91.5104.7-175.9-170.3-7.4000112.7G52 Q56 L57 C58 R69G52-N54 VanDerWaalsContact C-N 3.27Å; G52-N54 PolarHBondContact O-N 2.95Å; N54-Q56 PolarHBondContact O-N 3.42Å; N54-Q56 PolarHBondContact OD1-N 3.43Å; N54-L57 HydrophobicContact CB-CB 4.35Å; N54-L57 VanDerWaalsContact ND2-CD1 3.28Å; N54-L57 WeakPolarHBondContact ND2-CD1 3.47Å; N54-L57 WeakPolarHBondContact ND2-CG 3.29Å; N54-L57 PolarHBondContact O-N 2.86Å; N54-C58 WeakPolarHBondContact O-CB 3.34Å; N54-C58 PolarHBondContact O-N 3.01Å; N54-R69 HydrophobicContact CB-CB 4.19Å; N54-R69 PolarHBondContact N-O 3.33Å; N54-R69 VanDerWaalsContact N-O 3.1Å
55K89.1Confident91.1Very high142 Ų14258.7 Ų58.762%0.61728%0.282SS*.THydrogen-bonded Turntrans-57.9-25.6176.6-77.8171.6-175.6-174.80115A61 D63K55-A61 HydrophobicContact CB-CB 4.41Å; K55-A61 HydrophobicContact CD-CB 4.08Å; K55-A61 HydrophobicContact CG-CB 3.25Å; K55-D63 IonicContact NZ-OD1 3.72Å
56Q87.4Confident91.6Very high181 Ų18153.7 Ų53.785%0.84626%0.259SS*.THydrogen-bonded Turntrans-82.9-27.9-178.1-65.7-176.6-27.400112.7N54N54-Q56 PolarHBondContact O-N 3.42Å; N54-Q56 PolarHBondContact OD1-N 3.43Å
57L85.5Confident91.9Very high86 Ų8649.3 Ų49.345%0.4524%0.24SC..THydrogen-bonded Turntrans-100.8-29.7-177.7-64.7-179.8000112N12 N54N12-L57 PolarHBondContact ND2-O 3.29Å; N54-L57 HydrophobicContact CB-CB 4.35Å; N54-L57 VanDerWaalsContact ND2-CD1 3.28Å; N54-L57 WeakPolarHBondContact ND2-CD1 3.47Å; N54-L57 WeakPolarHBondContact ND2-CG 3.29Å; N54-L57 PolarHBondContact O-N 2.86Å
58C90.1Very high92.2Very high10 Ų1049.1 Ų49.17%0.06824%0.239CC..  trans-101.5144-175.8-64.70000112S50 N54 F60 R69S50-C58 VanDerWaalsContact OG-CA 3.32Å; S50-C58 WeakPolarHBondContact OG-CA 3.49Å; N54-C58 WeakPolarHBondContact O-CB 3.34Å; N54-C58 PolarHBondContact O-N 3.01Å; C58-F60 VanDerWaalsContact C-N 3.33Å; C58-R69 PolarHBondContact SG-O 3.14Å; C58-R69 VanDerWaalsContact SG-O 3.32Å
59D90.6Very high92.3Very high56 Ų5657.8 Ų57.830%0.29927%0.27SS..SBendtrans-67.2-38.8173-57-80.1000111.1K46 Y49 S50K46-D59 IonicContact NZ-OD1 2.62Å; K46-D59 PolarHBondContact NZ-OD1 3.2Å; Y49-D59 HydrophobicContact CD1-CB 4.08Å; S50-D59 PolarHBondContact N-OD2 3.36Å; S50-D59 PolarHBondContact O-N 2.98Å; S50-D59 VanDerWaalsContact O-N 3.15Å; S50-D59 PolarHBondContact OG-N 2.76Å; S50-D59 VanDerWaalsContact OG-N 3.14Å; S50-D59 PolarHBondContact OG-OD2 3.29Å
60F93Very high92.3Very high22 Ų2258.8 Ų58.810%0.09628%0.277CS..EExtended strand (participates in β ladder)trans-121.5123.1178.5-57.4-53000110.8L41 I43 Y49 S50 F51 G52 C58L41-F60 HydrophobicContact CB-CD1 4.25Å; L41-F60 HydrophobicContact CB-CE1 3.74Å; L41-F60 HydrophobicContact CB-CZ 4.04Å; L41-F60 HydrophobicContact CD1-CB 4.34Å; L41-F60 HydrophobicContact CD1-CD1 3.61Å; L41-F60 HydrophobicContact CD1-CE1 3.99Å; L41-F60 HydrophobicContact CD1-CG 3.92Å; L41-F60 HydrophobicContact CD2-CD1 3.86Å; L41-F60 HydrophobicContact CD2-CE1 3.87Å; L41-F60 HydrophobicContact CG-CD1 4.12Å; L41-F60 HydrophobicContact CG-CE1 4.08Å; I43-F60 HydrophobicContact CG2-CE2 3.76Å; I43-F60 HydrophobicContact CG2-CZ 3.8Å; Y49-F60 HydrophobicContact CD1-CD2 4.31Å; Y49-F60 AromaticContact CD1-CE2 3.39Å; Y49-F60 HydrophobicContact CD1-CE2 3.39Å; Y49-F60 AromaticContact CD1-CZ 3.62Å; Y49-F60 HydrophobicContact CD1-CZ 3.62Å; Y49-F60 HydrophobicContact CE1-CE2 4.19Å; Y49-F60 AromaticContact CE1-CZ 3.99Å; Y49-F60 HydrophobicContact CE1-CZ 3.99Å; Y49-F60 HydrophobicContact CG-CD2 4.45Å; Y49-F60 AromaticContact CG-CE2 3.62Å; Y49-F60 HydrophobicContact CG-CE2 3.62Å; Y49-F60 HydrophobicContact CG-CZ 4.26Å; S50-F60 PolarHBondContact O-N 2.71Å; F51-F60 WeakPolarHBondContact CA-O 3.23Å; F51-F60 HydrophobicContact CD1-CB 3.72Å; F51-F60 HydrophobicContact CD1-CD2 4.17Å; F51-F60 HydrophobicContact CD1-CG 4.41Å; F51-F60 HydrophobicContact CE1-CB 3.76Å; F51-F60 AromaticContact CE1-CD2 3.5Å; F51-F60 HydrophobicContact CE1-CD2 3.5Å; F51-F60 HydrophobicContact CE1-CE2 4.44Å; F51-F60 AromaticContact CE1-CG 3.98Å; F51-F60 HydrophobicContact CE1-CG 3.98Å; F51-F60 HydrophobicContact CE2-CD2 4.14Å; F51-F60 AromaticContact CZ-CD2 3.49Å; F51-F60 HydrophobicContact CZ-CD2 3.49Å; F51-F60 VanDerWaalsContact CZ-CD2 3.49Å; F51-F60 HydrophobicContact CZ-CE2 4.11Å; F51-F60 HydrophobicContact CZ-CG 4.41Å; G52-F60 PolarHBondContact N-O 3.34Å; C58-F60 VanDerWaalsContact C-N 3.33Å
61A92.3Very high92.3Very high27 Ų2758.8 Ų58.822%0.22328%0.277CS..EExtended strand (participates in β ladder)trans-88.5125-179.500000112G52 K55G52-A61 CarbonylContact O-C 3.47Å; G52-A61 VanDerWaalsContact O-CA 3.29Å; G52-A61 WeakPolarHBondContact O-CA 3.3Å; K55-A61 HydrophobicContact CB-CB 4.41Å; K55-A61 HydrophobicContact CD-CB 4.08Å; K55-A61 HydrophobicContact CG-CB 3.25Å
62V93.2Very high92.3Very high0 Ų058.7 Ų58.70%028%0.277CS..  trans-104.5103.7175-172.10000108.1F51 G52 R53 H64 C67 F117F51-V62 HydrophobicContact CB-CG2 4.14Å; F51-V62 HydrophobicContact CD1-CG2 4.3Å; G52-V62 PolarHBondContact O-N 2.98Å; R53-V62 WeakPolarHBondContact CA-O 3.28Å; V62-H64 VanDerWaalsContact C-N 3.27Å; V62-H64 PolarHBondContact O-N 3.47Å; V62-C67 HydrophobicContact CB-CB 4.42Å; V62-C67 HydrophobicContact CG1-CB 4.21Å; V62-C67 VanDerWaalsContact CG1-SG 3.55Å; V62-F117 HydrophobicContact CG1-CB 4.27Å; V62-F117 HydrophobicContact CG1-CD2 4.44Å; V62-F117 HydrophobicContact CG2-CD2 3.92Å; V62-F117 HydrophobicContact CG2-CE2 4.39Å
63D91Very high92.4Very high83 Ų8358.7 Ų58.744%0.44428%0.277SS..  trans-81.668.6-175.7-54.5-56.9000111.2K55 R122K55-D63 IonicContact NZ-OD1 3.72Å; D63-R122 IonicContact OD2-CZ 2.64Å; D63-R122 IonicContact OD2-NH1 3.12Å; D63-R122 PolarHBondContact OD2-NH1 3.49Å; D63-R122 VanDerWaalsContact OD2-NH1 3.13Å; D63-R122 IonicContact OD2-NH2 3.16Å; D63-R122 PolarHBondContact OD2-NH2 3.27Å; D63-R122 VanDerWaalsContact OD2-NH2 3.16Å
64H94.5Very high92.4Very high47 Ų4752.1 Ų52.122%0.21825%0.253CS..  trans-140142.5173.7-162.8-103.4000112.3V62 S66 C67 A119V62-H64 VanDerWaalsContact C-N 3.27Å; V62-H64 PolarHBondContact O-N 3.47Å; H64-S66 VanDerWaalsContact C-N 3.26Å; H64-S66 PolarHBondContact CE1-OG 3.42Å; H64-S66 VanDerWaalsContact ND1-CB 3.33Å; H64-S66 WeakPolarHBondContact ND1-CB 3.46Å; H64-S66 PolarHBondContact ND1-N 3.46Å; H64-S66 PolarHBondContact ND1-OG 2.83Å; H64-S66 PolarHBondContact O-N 3.27Å; H64-C67 HydrophobicContact CB-CB 4.48Å; H64-C67 WeakPolarHBondContact O-CB 3.35Å; H64-C67 PolarHBondContact O-N 3.34Å; H64-C67 VanDerWaalsContact O-N 3.1Å; H64-A119 VanDerWaalsContact CE1-C 3.49Å; H64-A119 PolarHBondContact CE1-O 3.11Å; H64-A119 PolarHBondContact NE2-O 3.18Å
65Q95Very high92.5Very high134 Ų13450 Ų5063%0.62624%0.242SC*.THydrogen-bonded Turntrans-65.3-31.4-17765.576.625.400112.6C67Q65-C67 PolarHBondContact O-N 2.88Å
66S95Very high92.7Very high2 Ų244 Ų441%0.01422%0.215CC..THydrogen-bonded Turntrans-76.1-6.6177.4830000112.8H64 H92 A119H64-S66 VanDerWaalsContact C-N 3.26Å; H64-S66 PolarHBondContact CE1-OG 3.42Å; H64-S66 VanDerWaalsContact ND1-CB 3.33Å; H64-S66 WeakPolarHBondContact ND1-CB 3.46Å; H64-S66 PolarHBondContact ND1-N 3.46Å; H64-S66 PolarHBondContact ND1-OG 2.83Å; H64-S66 PolarHBondContact O-N 3.27Å; S66-H92 VanDerWaalsContact CB-CD2 3.45Å; S66-H92 WeakPolarHBondContact CB-CD2 3.49Å; S66-H92 PolarHBondContact O-CD2 3.43Å; S66-A119 PolarHBondContact OG-N 2.9Å
67C94.7Very high93Very high5 Ų536.5 Ų36.53%0.03418%0.18CC..SBendtrans-93.5125.4-179.2-66.90000109.5V62 H64 Q65 F117V62-C67 HydrophobicContact CB-CB 4.42Å; V62-C67 HydrophobicContact CG1-CB 4.21Å; V62-C67 VanDerWaalsContact CG1-SG 3.55Å; H64-C67 HydrophobicContact CB-CB 4.48Å; H64-C67 WeakPolarHBondContact O-CB 3.35Å; H64-C67 PolarHBondContact O-N 3.34Å; H64-C67 VanDerWaalsContact O-N 3.1Å; Q65-C67 PolarHBondContact O-N 2.88Å; C67-F117 PolarHBondContact SG-O 3.22Å; C67-F117 VanDerWaalsContact SG-O 3.34Å
68S93.6Very high93.2Very high29 Ų2937.1 Ų37.120%0.20318%0.179CC..  trans-54.8156.1170.6-58.40000112R53 V70R53-S68 PolarHBondContact N-O 3.02Å; S68-V70 VanDerWaalsContact CB-O 3.25Å; S68-V70 WeakPolarHBondContact CB-O 3.45Å; S68-V70 PolarHBondContact O-N 2.85Å
69R92.7Very high93.1Very high190 Ų19043.8 Ų43.872%0.71721%0.207SC*.SBendtrans-51.2-42.9175.6-71.7179.2-71.1-179.5-2.3111.9G52 R53 N54 C58G52-R69 CarbonylContact C-O 3.58Å; G52-R69 WeakPolarHBondContact CA-O 3.44Å; R53-R69 PolarHBondContact N-O 3.03Å; N54-R69 HydrophobicContact CB-CB 4.19Å; N54-R69 PolarHBondContact N-O 3.33Å; N54-R69 VanDerWaalsContact N-O 3.1Å; C58-R69 PolarHBondContact SG-O 3.14Å; C58-R69 VanDerWaalsContact SG-O 3.32Å
70V93.2Very high93.1Very high30 Ų3045.4 Ų45.418%0.18222%0.215CC..SBendtrans-126.2117.7165.6-164.30000105.3N12 S68 L88N12-V70 HydrophobicContact CB-CG1 4.04Å; N12-V70 HydrophobicContact CB-CG2 3.97Å; S68-V70 VanDerWaalsContact CB-O 3.25Å; S68-V70 WeakPolarHBondContact CB-O 3.45Å; S68-V70 PolarHBondContact O-N 2.85Å; V70-L88 HydrophobicContact CB-CD1 4.41Å; V70-L88 HydrophobicContact CG1-CD1 3.53Å
71H94.1Very high92.9Very high0 Ų048 Ų480%024%0.236CC..  trans-105.9-54.5-167.3-173.596.5000111F51 L88 S90 G93 T94 F117 G118F51-H71 WeakPolarHBondContact O-CA 3.21Å; F51-H71 WeakPolarHBondContact O-CB 3.46Å; F51-H71 PolarHBondContact O-N 3.17Å; H71-L88 PolarHBondContact O-N 3.48Å; H71-S90 WeakPolarHBondContact CE1-CB 3.36Å; H71-S90 PolarHBondContact CE1-OG 3.24Å; H71-S90 VanDerWaalsContact CE1-OG 3.26Å; H71-S90 VanDerWaalsContact ND1-CB 3.29Å; H71-S90 WeakPolarHBondContact ND1-CB 3.3Å; H71-S90 PolarHBondContact NE2-OG 3.08Å; H71-G93 PolarHBondContact CE1-O 2.9Å; H71-G93 PolarHBondContact NE2-O 3.05Å; H71-T94 PolarHBondContact CD2-OG1 2.82Å; H71-T94 VanDerWaalsContact CD2-OG1 3.28Å; H71-T94 PolarHBondContact NE2-OG1 2.88Å; H71-F117 AromaticContact CD2-CD1 3.4Å; H71-F117 VanDerWaalsContact CD2-CD1 3.4Å; H71-F117 WeakPolarHBondContact CD2-CD1 3.25Å; H71-F117 AromaticContact CD2-CG 3.95Å; H71-F117 AromaticContact NE2-CD1 3.75Å; H71-G118 PolarHBondContact CE1-N 3.35Å; H71-G118 PolarHBondContact NE2-N 2.78Å
72A95.2Very high92.9Very high0 Ų052.3 Ų52.30%025%0.246CC..EExtended strand (participates in β ladder)trans-149166.1-178.800000110.8F51 L85 I86 T94 F117F51-A72 PolarHBondContact N-O 3.05Å; F51-A72 PolarHBondContact O-N 2.87Å; A72-L85 HydrophobicContact CB-CD1 4.02Å; A72-I86 CarbonylContact C-O 3.53Å; A72-I86 VanDerWaalsContact CA-O 3.25Å; A72-I86 WeakPolarHBondContact CA-O 3.48Å; A72-I86 WeakPolarHBondContact CB-O 3.45Å; A72-T94 HydrophobicContact CB-CG2 4.42Å; A72-F117 HydrophobicContact CB-CD1 4.24Å; A72-F117 HydrophobicContact CB-CE1 3.79Å
73V94.4Very high92.9Very high1 Ų152.3 Ų52.31%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-131.6129.8178.7175.60000109.2F14 C48 Y49 V75 I86 L88F14-V73 HydrophobicContact CD1-CG1 4.17Å; F14-V73 HydrophobicContact CD1-CG2 4.46Å; F14-V73 HydrophobicContact CE1-CG1 4.19Å; C48-V73 WeakPolarHBondContact SG-CG1 3.38Å; Y49-V73 CarbonylContact O-C 3.55Å; Y49-V73 WeakPolarHBondContact O-CA 3.27Å; V73-V75 HydrophobicContact CG1-CG2 3.78Å; V73-I86 PolarHBondContact N-O 3.35Å; V73-I86 PolarHBondContact O-N 2.94Å; V73-L88 HydrophobicContact CG2-CD1 3.55Å; V73-L88 HydrophobicContact CG2-CD2 4.18Å; V73-L88 HydrophobicContact CG2-CG 3.94Å
74L94.3Very high93.1Very high6 Ų649.7 Ų49.73%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-96.5123.3171.3-174.775000108.8I43 C48 Y49 F51 A83 F84 L85 V109 I126I43-L74 HydrophobicContact CD1-CD2 4.03Å; C48-L74 CarbonylContact C-O 3.52Å; C48-L74 VanDerWaalsContact CA-O 3.31Å; C48-L74 WeakPolarHBondContact CA-O 3.39Å; Y49-L74 PolarHBondContact N-O 3.31Å; Y49-L74 PolarHBondContact O-N 3.46Å; F51-L74 HydrophobicContact CD2-CB 4.48Å; F51-L74 HydrophobicContact CE2-CB 3.63Å; F51-L74 HydrophobicContact CE2-CD2 4.44Å; F51-L74 HydrophobicContact CZ-CB 4.49Å; L74-A83 HydrophobicContact CD1-CB 4.05Å; L74-F84 CarbonylContact C-O 3.56Å; L74-F84 WeakPolarHBondContact CA-O 3.14Å; L74-L85 HydrophobicContact CB-CD1 4.36Å; L74-L85 HydrophobicContact CD1-CB 4.39Å; L74-L85 HydrophobicContact CD1-CD1 4.32Å; L74-V109 HydrophobicContact CD1-CG2 4.43Å; L74-I126 HydrophobicContact CD1-CD1 4.05Å; L74-I126 HydrophobicContact CD2-CD1 4.43Å
75V93.7Very high93.1Very high0 Ų047.4 Ų47.40%022%0.221CC..EExtended strand (participates in β ladder)trans-119.6131.3-179.3-171.40000109F14 W19 S20 V73 F84 I86F14-V75 HydrophobicContact CE1-CG2 4.21Å; W19-V75 HydrophobicContact CE3-CG1 4.09Å; W19-V75 HydrophobicContact CH2-CB 3.85Å; W19-V75 HydrophobicContact CH2-CG1 3.73Å; W19-V75 HydrophobicContact CZ3-CB 3.81Å; W19-V75 HydrophobicContact CZ3-CG1 3.34Å; S20-V75 WeakPolarHBondContact OG-CG1 3.31Å; V73-V75 HydrophobicContact CG1-CG2 3.78Å; V75-F84 PolarHBondContact N-O 3.05Å; V75-F84 PolarHBondContact O-N 2.9Å; V75-I86 HydrophobicContact CG2-CD1 3.95Å
76W93.6Very high93.1Very high15 Ų1541.3 Ų41.36%0.05719%0.192CC..EExtended strand (participates in β ladder)trans-87.7127.9174-174.2-96.9000111.4S20 G21 P23 P24 L27 S47 S81 A83S20-W76 VanDerWaalsContact CA-O 3.26Å; S20-W76 WeakPolarHBondContact CA-O 3.43Å; G21-W76 PolarHBondContact N-O 3.44Å; P23-W76 VanDerWaalsContact CA-CD1 3.49Å; P23-W76 HydrophobicContact CB-CB 4.33Å; P23-W76 HydrophobicContact CB-CD2 3.67Å; P23-W76 HydrophobicContact CB-CE3 4.13Å; P23-W76 HydrophobicContact CB-CG 3.73Å; P23-W76 HydrophobicContact CG-CB 4.17Å; P23-W76 HydrophobicContact CG-CD2 4.42Å; P23-W76 HydrophobicContact CG-CG 4.09Å; P24-W76 VanDerWaalsContact CD-CZ2 3.48Å; P24-W76 HydrophobicContact CG-CZ2 4.3Å; L27-W76 HydrophobicContact CD1-CD2 4.4Å; L27-W76 HydrophobicContact CD1-CE3 3.97Å; L27-W76 HydrophobicContact CD1-CH2 3.29Å; L27-W76 HydrophobicContact CD1-CZ2 3.76Å; L27-W76 HydrophobicContact CD1-CZ3 3.41Å; L27-W76 VanDerWaalsContact CD1-CZ3 3.41Å; L27-W76 HydrophobicContact CD2-CH2 4.24Å; L27-W76 HydrophobicContact CD2-CZ3 4.14Å; L27-W76 HydrophobicContact CG-CH2 4.4Å; L27-W76 HydrophobicContact CG-CZ3 4.42Å; S47-W76 PolarHBondContact O-N 3.19Å; W76-S81 WeakPolarHBondContact CH2-O 3.18Å; W76-S81 WeakPolarHBondContact CZ2-O 3.16Å; W76-A83 HydrophobicContact CE3-CB 3.97Å; W76-A83 HydrophobicContact CZ3-CB 4Å
77H93.1Very high93.1Very high24 Ų2441.3 Ų41.311%0.11119%0.192CC..EExtended strand (participates in β ladder)trans-92.6112.9-179.5-167.1-74.4000111.7W19 F79 L80 S81 R82 F84W19-H77 AromaticContact CD2-CD2 3.43Å; W19-H77 VanDerWaalsContact CD2-CD2 3.43Å; W19-H77 AromaticContact CD2-NE2 3.97Å; W19-H77 HydrophobicContact CE3-CB 3.88Å; W19-H77 AromaticContact CE3-CD2 3.16Å; W19-H77 AromaticContact CE3-CG 3.75Å; W19-H77 AromaticContact CG-CD2 3.75Å; W19-H77 AromaticContact CG-NE2 3.77Å; W19-H77 HydrophobicContact CZ3-CB 4.06Å; W19-H77 AromaticContact CZ3-CD2 3.84Å; H77-F79 AromaticContact CE1-CD2 3.74Å; H77-F79 PolarHBondContact ND1-N 3.37Å; H77-F79 PolarHBondContact O-N 2.74Å; H77-L80 HydrophobicContact CB-CB 4.36Å; H77-L80 VanDerWaalsContact CE1-CG 3.45Å; H77-L80 WeakPolarHBondContact CE1-CG 3.42Å; H77-L80 WeakPolarHBondContact ND1-CB 3.41Å; H77-L80 WeakPolarHBondContact ND1-CG 3.36Å; H77-L80 PolarHBondContact ND1-N 3.29Å; H77-L80 VanDerWaalsContact ND1-N 3.11Å; H77-L80 PolarHBondContact O-N 2.83Å; H77-S81 WeakPolarHBondContact O-CA 3.48Å; H77-S81 PolarHBondContact O-N 2.76Å; H77-R82 WeakPolarHBondContact CB-O 3.39Å; H77-R82 PolarHBondContact N-O 3.41Å; H77-F84 HydrophobicContact CB-CD2 3.72Å; H77-F84 HydrophobicContact CB-CE2 3.67Å
78K89.2Confident93.1Very high98 Ų9842.7 Ų42.743%0.42620%0.199SC..THydrogen-bonded Turntrans-66.3-33.9-17375.7-165.3178.7-165.30114.8N18 W19N18-K78 PolarHBondContact O-NZ 3.39Å; W19-K78 WeakPolarHBondContact O-CG 3.34Å; W19-K78 PolarHBondContact O-N 2.83Å
79F89.4Confident93Very high151 Ų15143.3 Ų43.366%0.66221%0.209SC*.THydrogen-bonded Turntrans-85.9-18.1-176.4-51.1-76.7000113.6W19 H77W19-F79 HydrophobicContact CB-CD2 4.23Å; W19-F79 HydrophobicContact CB-CE2 4.21Å; H77-F79 AromaticContact CE1-CD2 3.74Å; H77-F79 PolarHBondContact ND1-N 3.37Å; H77-F79 PolarHBondContact O-N 2.74Å
80L90.1Very high93.1Very high90 Ų9034.7 Ų34.747%0.47118%0.178SC..THydrogen-bonded Turntrans-111.4-9.9-176.2-67.7174.3000111.3H77 R82 F84H77-L80 HydrophobicContact CB-CB 4.36Å; H77-L80 VanDerWaalsContact CE1-CG 3.45Å; H77-L80 WeakPolarHBondContact CE1-CG 3.42Å; H77-L80 WeakPolarHBondContact ND1-CB 3.41Å; H77-L80 WeakPolarHBondContact ND1-CG 3.36Å; H77-L80 PolarHBondContact ND1-N 3.29Å; H77-L80 VanDerWaalsContact ND1-N 3.11Å; H77-L80 PolarHBondContact O-N 2.83Å; L80-R82 HydrophobicContact CB-CB 4.31Å; L80-R82 HydrophobicContact CB-CG 4.48Å; L80-R82 WeakPolarHBondContact O-CG 3.29Å; L80-R82 PolarHBondContact O-N 3.36Å; L80-F84 HydrophobicContact CD1-CE2 4.15Å; L80-F84 HydrophobicContact CD1-CZ 4.08Å
81S88.8Confident93.2Very high75 Ų7538.6 Ų38.652%0.52420%0.202SC..THydrogen-bonded Turntrans48.245.9-173.3-59.60000112.2W76 H77W76-S81 WeakPolarHBondContact CH2-O 3.18Å; W76-S81 WeakPolarHBondContact CZ2-O 3.16Å; H77-S81 WeakPolarHBondContact O-CA 3.48Å; H77-S81 PolarHBondContact O-N 2.76Å
82R91.5Very high93.2Very high119 Ų11942.4 Ų42.445%0.44922%0.22SC..EExtended strand (participates in β ladder)trans-133.9149.2-175.5-76.2166.4-176.8-152.86110.6H77 L80 F84 Q108H77-R82 WeakPolarHBondContact CB-O 3.39Å; H77-R82 PolarHBondContact N-O 3.41Å; L80-R82 HydrophobicContact CB-CB 4.31Å; L80-R82 HydrophobicContact CB-CG 4.48Å; L80-R82 WeakPolarHBondContact O-CG 3.29Å; L80-R82 PolarHBondContact O-N 3.36Å; R82-F84 HydrophobicContact CB-CE2 4.19Å; R82-Q108 HydrophobicContact CB-CG 4.45Å
83A93.3Very high93.2Very high0 Ų042.4 Ų42.40%022%0.22CC..EExtended strand (participates in β ladder)trans-86.2138.8173.800000111L74 W76 V109 I126L74-A83 HydrophobicContact CD1-CB 4.05Å; W76-A83 HydrophobicContact CE3-CB 3.97Å; W76-A83 HydrophobicContact CZ3-CB 4Å; A83-V109 PolarHBondContact O-N 2.85Å; A83-I126 HydrophobicContact CB-CD1 3.81Å
84F94.9Very high93.4Very high27 Ų2742.4 Ų42.412%0.11822%0.22CC..EExtended strand (participates in β ladder)trans-122.2133.3173.9-77.1-98.5000109.8W19 L74 V75 H77 L80 R82 P106 Q107 Q108W19-F84 HydrophobicContact CH2-CB 3.99Å; W19-F84 HydrophobicContact CH2-CG 4.27Å; W19-F84 HydrophobicContact CZ3-CB 4.34Å; W19-F84 HydrophobicContact CZ3-CD2 4.32Å; W19-F84 HydrophobicContact CZ3-CG 4.48Å; L74-F84 CarbonylContact C-O 3.56Å; L74-F84 WeakPolarHBondContact CA-O 3.14Å; V75-F84 PolarHBondContact N-O 3.05Å; V75-F84 PolarHBondContact O-N 2.9Å; H77-F84 HydrophobicContact CB-CD2 3.72Å; H77-F84 HydrophobicContact CB-CE2 3.67Å; L80-F84 HydrophobicContact CD1-CE2 4.15Å; L80-F84 HydrophobicContact CD1-CZ 4.08Å; R82-F84 HydrophobicContact CB-CE2 4.19Å; F84-P106 HydrophobicContact CB-CB 4.49Å; F84-P106 HydrophobicContact CD1-CB 4.08Å; F84-Q107 CarbonylContact C-O 3.48Å; F84-Q107 VanDerWaalsContact CA-O 3.24Å; F84-Q107 WeakPolarHBondContact CA-O 3.45Å; F84-Q108 HydrophobicContact CD1-CB 4.18Å; F84-Q108 HydrophobicContact CE1-CB 3.76Å; F84-Q108 HydrophobicContact CE1-CG 4.47Å; F84-Q108 HydrophobicContact CZ-CB 4.06Å; F84-Q108 HydrophobicContact CZ-CG 4.31Å
85L95.3Very high93.5Very high0 Ų044.6 Ų44.60%023%0.229CC..EExtended strand (participates in β ladder)trans-106.6131.2176.1-172.760.7000109.4A72 L74 T94 I96 L101 Q107 V109 I115 F117A72-L85 HydrophobicContact CB-CD1 4.02Å; L74-L85 HydrophobicContact CB-CD1 4.36Å; L74-L85 HydrophobicContact CD1-CB 4.39Å; L74-L85 HydrophobicContact CD1-CD1 4.32Å; L85-T94 HydrophobicContact CD2-CG2 3.46Å; L85-T94 VanDerWaalsContact CD2-CG2 3.46Å; L85-T94 HydrophobicContact CG-CG2 4.08Å; L85-I96 HydrophobicContact CD2-CG1 4.31Å; L85-L101 HydrophobicContact CB-CD1 4.22Å; L85-L101 HydrophobicContact CD2-CD1 3.9Å; L85-L101 HydrophobicContact CG-CD1 4.03Å; L85-Q107 PolarHBondContact N-O 3.39Å; L85-Q107 PolarHBondContact O-N 3.06Å; L85-V109 HydrophobicContact CB-CG2 3.46Å; L85-V109 VanDerWaalsContact CB-CG2 3.46Å; L85-V109 HydrophobicContact CD2-CG2 4.38Å; L85-I115 HydrophobicContact CD2-CB 4.44Å; L85-I115 HydrophobicContact CD2-CD1 4.17Å; L85-I115 HydrophobicContact CD2-CG1 4.12Å; L85-I115 HydrophobicContact CD2-CG2 3.47Å; L85-I115 VanDerWaalsContact CD2-CG2 3.47Å; L85-F117 HydrophobicContact CD1-CE1 4.33Å; L85-F117 HydrophobicContact CD2-CE1 4.43Å
86I95Very high93.5Very high5 Ų545.6 Ų45.63%0.02623%0.234CC..EExtended strand (participates in β ladder)trans-122.1119.4-179.9-60.3165.6000107.5F14 A72 V73 V75 L88 P106F14-I86 HydrophobicContact CE1-CD1 4.21Å; F14-I86 HydrophobicContact CE2-CD1 4.06Å; F14-I86 HydrophobicContact CE2-CG2 4.12Å; F14-I86 HydrophobicContact CZ-CD1 3.4Å; F14-I86 HydrophobicContact CZ-CG2 4.5Å; A72-I86 CarbonylContact C-O 3.53Å; A72-I86 VanDerWaalsContact CA-O 3.25Å; A72-I86 WeakPolarHBondContact CA-O 3.48Å; A72-I86 WeakPolarHBondContact CB-O 3.45Å; V73-I86 PolarHBondContact N-O 3.35Å; V73-I86 PolarHBondContact O-N 2.94Å; V75-I86 HydrophobicContact CG2-CD1 3.95Å; I86-L88 HydrophobicContact CG2-CD2 4.4Å; I86-P106 HydrophobicContact CD1-CB 4.04Å; I86-P106 HydrophobicContact CG1-CB 3.73Å
87D95.7Very high93.5Very high2 Ų246.1 Ų46.11%0.01124%0.244CC..EExtended strand (participates in β ladder)trans-76.4129.9170-176.472.1000109.6G89 S90 T94 H104D87-G89 PolarHBondContact O-N 2.83Å; D87-G89 WeakPolarHBondContact OD2-CA 3.41Å; D87-G89 PolarHBondContact OD2-N 2.74Å; D87-G89 VanDerWaalsContact OD2-N 3.14Å; D87-S90 VanDerWaalsContact OD1-CB 3.25Å; D87-S90 WeakPolarHBondContact OD1-CB 3.19Å; D87-S90 PolarHBondContact OD1-OG 2.78Å; D87-S90 PolarHBondContact OD2-N 3.12Å; D87-T94 PolarHBondContact OD1-OG1 3.48Å; D87-H104 WeakPolarHBondContact O-CA 3.32Å; D87-H104 PolarHBondContact O-N 2.99Å
88L93.6Very high93.4Very high35 Ų3555 Ų5518%0.18328%0.283CS..  trans-89.125.4-177.2-67-175.8000113F14 V70 H71 V73 I86F14-L88 HydrophobicContact CB-CD2 4.07Å; F14-L88 HydrophobicContact CD2-CD2 3.44Å; F14-L88 VanDerWaalsContact CD2-CD2 3.44Å; F14-L88 HydrophobicContact CE2-CD2 4.14Å; F14-L88 HydrophobicContact CG-CD2 3.91Å; V70-L88 HydrophobicContact CB-CD1 4.41Å; V70-L88 HydrophobicContact CG1-CD1 3.53Å; H71-L88 PolarHBondContact O-N 3.48Å; V73-L88 HydrophobicContact CG2-CD1 3.55Å; V73-L88 HydrophobicContact CG2-CD2 4.18Å; V73-L88 HydrophobicContact CG2-CG 3.94Å; I86-L88 HydrophobicContact CG2-CD2 4.4Å
89G92.2Very high93.7Very high41 Ų4156.2 Ų56.242%0.42329%0.292SS..SBendtrans81.246.9-172.800000111.1D87D87-G89 PolarHBondContact O-N 2.83Å; D87-G89 WeakPolarHBondContact OD2-CA 3.41Å; D87-G89 PolarHBondContact OD2-N 2.74Å; D87-G89 VanDerWaalsContact OD2-N 3.14Å
90S93.9Very high94Very high9 Ų955.9 Ų55.96%0.06329%0.287CS..  trans-71.1144.9178.171.40000111.3H71 D87 H92 G93H71-S90 WeakPolarHBondContact CE1-CB 3.36Å; H71-S90 PolarHBondContact CE1-OG 3.24Å; H71-S90 VanDerWaalsContact CE1-OG 3.26Å; H71-S90 VanDerWaalsContact ND1-CB 3.29Å; H71-S90 WeakPolarHBondContact ND1-CB 3.3Å; H71-S90 PolarHBondContact NE2-OG 3.08Å; D87-S90 VanDerWaalsContact OD1-CB 3.25Å; D87-S90 WeakPolarHBondContact OD1-CB 3.19Å; D87-S90 PolarHBondContact OD1-OG 2.78Å; D87-S90 PolarHBondContact OD2-N 3.12Å; S90-H92 VanDerWaalsContact C-N 3.29Å; S90-H92 PolarHBondContact O-N 3.35Å; S90-G93 PolarHBondContact O-N 3.22Å; S90-G93 WeakPolarHBondContact OG-CA 3.33Å; S90-G93 PolarHBondContact OG-N 3.4Å
91V95Very high94.3Very high113 Ų11352 Ų5269%0.68527%0.266SS*.SBendtrans-60.4-41.8-176.2177.20000111.5
92H95.7Very high94.7Very high80 Ų8054.6 Ų54.637%0.3727%0.27SS..SBendtrans-95.9-6.5-176.6-66.2-89.2000113.7S66 S90 F95S66-H92 VanDerWaalsContact CB-CD2 3.45Å; S66-H92 WeakPolarHBondContact CB-CD2 3.49Å; S66-H92 PolarHBondContact O-CD2 3.43Å; S90-H92 VanDerWaalsContact C-N 3.29Å; S90-H92 PolarHBondContact O-N 3.35Å; H92-F95 WeakPolarHBondContact O-CE2 3.48Å
93G95.4Very high94.8Very high0 Ų052 Ų520%027%0.269CS..  trans78.5162.8-17500000113.7H71 S90 G118H71-G93 PolarHBondContact CE1-O 2.9Å; H71-G93 PolarHBondContact NE2-O 3.05Å; S90-G93 PolarHBondContact O-N 3.22Å; S90-G93 WeakPolarHBondContact OG-CA 3.33Å; S90-G93 PolarHBondContact OG-N 3.4Å; G93-G118 VanDerWaalsContact O-CA 3.32Å; G93-G118 WeakPolarHBondContact O-CA 3.33Å; G93-G118 PolarHBondContact O-N 3.32Å
94T96.8Very high94.7Very high0 Ų058.3 Ų58.30%030%0.298CS..EExtended strand (participates in β ladder)trans-105.8144.9169.4-60.70000108.8H71 A72 L85 D87 L101 I115 F117H71-T94 PolarHBondContact CD2-OG1 2.82Å; H71-T94 VanDerWaalsContact CD2-OG1 3.28Å; H71-T94 PolarHBondContact NE2-OG1 2.88Å; A72-T94 HydrophobicContact CB-CG2 4.42Å; L85-T94 HydrophobicContact CD2-CG2 3.46Å; L85-T94 VanDerWaalsContact CD2-CG2 3.46Å; L85-T94 HydrophobicContact CG-CG2 4.08Å; D87-T94 PolarHBondContact OD1-OG1 3.48Å; T94-L101 HydrophobicContact CG2-CD1 3.96Å; T94-L101 WeakPolarHBondContact O-CB 3.18Å; T94-L101 PolarHBondContact O-N 3.29Å; T94-I115 HydrophobicContact CG2-CG2 4.35Å; T94-F117 HydrophobicContact CG2-CD1 3.76Å; T94-F117 HydrophobicContact CG2-CE1 3.77Å
95F96.4Very high94.7Very high52 Ų5263.2 Ų63.223%0.22832%0.319CS..EExtended strand (participates in β ladder)trans-126.7142.5-178.4-53.8-103.9000110.9H92 I99 R100 I115 H116H92-F95 WeakPolarHBondContact O-CE2 3.48Å; F95-I99 CarbonylContact C-O 3.5Å; F95-I99 WeakPolarHBondContact CA-O 3.01Å; F95-R100 HydrophobicContact CD1-CB 3.68Å; F95-R100 HydrophobicContact CD1-CG 4.11Å; F95-R100 HydrophobicContact CE1-CB 3.55Å; F95-R100 HydrophobicContact CE1-CG 3.74Å; F95-R100 HydrophobicContact CZ-CB 4.4Å; F95-R100 HydrophobicContact CZ-CG 4.09Å; F95-I115 CarbonylContact O-C 3.43Å; F95-I115 WeakPolarHBondContact O-CA 3.3Å; F95-H116 HydrophobicContact CB-CB 4.21Å; F95-H116 PolarHBondContact N-O 2.9Å; F95-H116 PolarHBondContact O-N 3.12Å
96I95.7Very high94.6Very high22 Ų2266 Ų6611%0.11334%0.337CS..EExtended strand (participates in β ladder)trans-112.2115.1166.7-58.5175.7000107L85 K98 I99 L101 Q107 V109 E114L85-I96 HydrophobicContact CD2-CG1 4.31Å; I96-K98 PolarHBondContact O-N 2.92Å; I96-I99 PolarHBondContact N-O 3.32Å; I96-I99 PolarHBondContact O-N 3.35Å; I96-L101 HydrophobicContact CB-CD2 4.48Å; I96-L101 HydrophobicContact CD1-CD1 3.89Å; I96-L101 HydrophobicContact CD1-CD2 3.77Å; I96-L101 HydrophobicContact CD1-CG 4.31Å; I96-L101 HydrophobicContact CG1-CD1 3.92Å; I96-L101 HydrophobicContact CG1-CD2 3.9Å; I96-L101 HydrophobicContact CG1-CG 4.14Å; I96-Q107 HydrophobicContact CD1-CB 4.37Å; I96-Q107 HydrophobicContact CD1-CG 3.73Å; I96-V109 HydrophobicContact CD1-CB 4.43Å; I96-V109 HydrophobicContact CD1-CG1 4.44Å; I96-V109 HydrophobicContact CD1-CG2 3.8Å; I96-E114 CarbonylContact C-O 3.58Å; I96-E114 VanDerWaalsContact CA-O 3.3Å; I96-E114 WeakPolarHBondContact CA-O 3.37Å
97G92.5Very high94.6Very high26 Ų2669.8 Ų69.827%0.26836%0.355SS..THydrogen-bonded Turntrans54.5-112.1-166.500000109.8E114 H116G97-E114 PolarHBondContact N-O 3.27Å; G97-H116 PolarHBondContact O-ND1 2.94Å
98K92Very high94.5Very high211 Ų21172.6 Ų72.692%0.91737%0.368SS*.THydrogen-bonded Turntrans-100.2-3.3179-58.4178.8-176.9178.50113.6I96I96-K98 PolarHBondContact O-N 2.92Å
99I95.1Very high94.5Very high122 Ų12271 Ų7163%0.62636%0.36SS*.EExtended strand (participates in β ladder)trans-96.9123.9-171.8-59.3172.8000109.5F95 I96F95-I99 CarbonylContact C-O 3.5Å; F95-I99 WeakPolarHBondContact CA-O 3.01Å; I96-I99 PolarHBondContact N-O 3.32Å; I96-I99 PolarHBondContact O-N 3.35Å
100R95.9Very high94.6Very high144 Ų14472 Ų7254%0.54336%0.359SS..EExtended strand (participates in β ladder)trans-75.8134.6172.4-171.2174.6176.5165.83.2110.4F95F95-R100 HydrophobicContact CD1-CB 3.68Å; F95-R100 HydrophobicContact CD1-CG 4.11Å; F95-R100 HydrophobicContact CE1-CB 3.55Å; F95-R100 HydrophobicContact CE1-CG 3.74Å; F95-R100 HydrophobicContact CZ-CB 4.4Å; F95-R100 HydrophobicContact CZ-CG 4.09Å
101L96Very high94.4Very high9 Ų974.3 Ų74.35%0.04737%0.37CS..PPolyproline II helixtrans-85147.8176.3-57.3-169.1000111.9L85 T94 I96 Q107L85-L101 HydrophobicContact CB-CD1 4.22Å; L85-L101 HydrophobicContact CD2-CD1 3.9Å; L85-L101 HydrophobicContact CG-CD1 4.03Å; T94-L101 HydrophobicContact CG2-CD1 3.96Å; T94-L101 WeakPolarHBondContact O-CB 3.18Å; T94-L101 PolarHBondContact O-N 3.29Å; I96-L101 HydrophobicContact CB-CD2 4.48Å; I96-L101 HydrophobicContact CD1-CD1 3.89Å; I96-L101 HydrophobicContact CD1-CD2 3.77Å; I96-L101 HydrophobicContact CD1-CG 4.31Å; I96-L101 HydrophobicContact CG1-CD1 3.92Å; I96-L101 HydrophobicContact CG1-CD2 3.9Å; I96-L101 HydrophobicContact CG1-CG 4.14Å; L101-Q107 HydrophobicContact CD1-CB 4.07Å; L101-Q107 HydrophobicContact CD2-CB 3.82Å; L101-Q107 HydrophobicContact CD2-CG 3.58Å
102E96.4Very high94.3Very high130 Ų13073.8 Ų73.861%0.60736%0.363SS*.PPolyproline II helixtrans-76.4138171.6-69.5-61.3142.900110.8K105E102-K105 HydrophobicContact CB-CB 4.13Å; E102-K105 HydrophobicContact CB-CD 4.39Å; E102-K105 PolarHBondContact O-N 3.28Å
103P94.5Very high94.2Very high65 Ų6571.2 Ų71.242%0.42235%0.354SS..BIsolated β-bridgetrans-63.4143.8177.528.4-34.4000111.1K105P103-K105 PolarHBondContact O-N 2.82Å
104H91.6Very high94.2Very high132 Ų13275.6 Ų75.661%0.61138%0.375SS*.THydrogen-bonded Turntrans60.48.5179.1-56.4-66.1000116.3D87D87-H104 WeakPolarHBondContact O-CA 3.32Å; D87-H104 PolarHBondContact O-N 2.99Å
105K93.3Very high94.2Very high130 Ų13075.7 Ų75.757%0.56538%0.375SS*.  trans-105125.4176.5-167.9175.7-179.9-178.50110.5E102 P103 Q107E102-K105 HydrophobicContact CB-CB 4.13Å; E102-K105 HydrophobicContact CB-CD 4.39Å; E102-K105 PolarHBondContact O-N 3.28Å; P103-K105 PolarHBondContact O-N 2.82Å; K105-Q107 PolarHBondContact O-N 3.4Å
106P93.4Very high94.1Very high57 Ų5775.1 Ų75.137%0.3737%0.373SS..EExtended strand (participates in β ladder)trans-68.8119.2173.627.5-32.2000110.7W19 F84 I86W19-P106 HydrophobicContact CZ2-CB 4.34Å; F84-P106 HydrophobicContact CB-CB 4.49Å; F84-P106 HydrophobicContact CD1-CB 4.08Å; I86-P106 HydrophobicContact CD1-CB 4.04Å; I86-P106 HydrophobicContact CG1-CB 3.73Å
107Q95.2Very high94.1Very high85 Ų8574 Ų7440%0.39737%0.368SS..EExtended strand (participates in β ladder)trans-107.1132.4173.8-177.558.74600110.1F84 L85 I96 L101 K105 V109F84-Q107 CarbonylContact C-O 3.48Å; F84-Q107 VanDerWaalsContact CA-O 3.24Å; F84-Q107 WeakPolarHBondContact CA-O 3.45Å; L85-Q107 PolarHBondContact N-O 3.39Å; L85-Q107 PolarHBondContact O-N 3.06Å; I96-Q107 HydrophobicContact CD1-CB 4.37Å; I96-Q107 HydrophobicContact CD1-CG 3.73Å; L101-Q107 HydrophobicContact CD1-CB 4.07Å; L101-Q107 HydrophobicContact CD2-CB 3.82Å; L101-Q107 HydrophobicContact CD2-CG 3.58Å; K105-Q107 PolarHBondContact O-N 3.4Å; Q107-V109 PolarHBondContact O-N 3.38Å
108Q94.3Very high94.2Very high61 Ų6173.4 Ų73.429%0.28536%0.361SS..EExtended strand (participates in β ladder)trans-67.4131173.9-173.8-169-34.400110R82 F84R82-Q108 HydrophobicContact CB-CG 4.45Å; F84-Q108 HydrophobicContact CD1-CB 4.18Å; F84-Q108 HydrophobicContact CE1-CB 3.76Å; F84-Q108 HydrophobicContact CE1-CG 4.47Å; F84-Q108 HydrophobicContact CZ-CB 4.06Å; F84-Q108 HydrophobicContact CZ-CG 4.31Å
109V94.2Very high94.4Very high2 Ų266.1 Ų66.11%0.01234%0.34CS..EExtended strand (participates in β ladder)trans-103.5118169.8-163.90000108.8L74 A83 L85 I96 Q107 I115 I126L74-V109 HydrophobicContact CD1-CG2 4.43Å; A83-V109 PolarHBondContact O-N 2.85Å; L85-V109 HydrophobicContact CB-CG2 3.46Å; L85-V109 VanDerWaalsContact CB-CG2 3.46Å; L85-V109 HydrophobicContact CD2-CG2 4.38Å; I96-V109 HydrophobicContact CD1-CB 4.43Å; I96-V109 HydrophobicContact CD1-CG1 4.44Å; I96-V109 HydrophobicContact CD1-CG2 3.8Å; Q107-V109 PolarHBondContact O-N 3.38Å; V109-I115 HydrophobicContact CG1-CD1 3.91Å; V109-I115 HydrophobicContact CG1-CG1 3.98Å; V109-I115 HydrophobicContact CG2-CD1 4.4Å; V109-I126 HydrophobicContact CB-CD1 3.94Å; V109-I126 HydrophobicContact CG1-CD1 3.78Å
110P92.5Very high94.3Very high63 Ų6360.9 Ų60.941%0.40931%0.314SS..PPolyproline II helixtrans-66.5157168.5-13.226.3000111.9S113P110-S113 VanDerWaalsContact CB-OG 3.31Å; P110-S113 WeakPolarHBondContact CB-OG 3.4Å; P110-S113 WeakPolarHBondContact CD-OG 3.37Å; P110-S113 WeakPolarHBondContact CG-OG 3.39Å; P110-S113 VanDerWaalsContact O-CB 3.25Å; P110-S113 WeakPolarHBondContact O-CB 3.45Å; P110-S113 PolarHBondContact O-N 2.87Å; P110-S113 PolarHBondContact O-OG 3.47Å
111I91.3Very high94.1Very high56 Ų5658.2 Ų58.229%0.28731%0.314SS..THydrogen-bonded Turntrans-64.7151168.7-49.3-54.4000108.4L27 S113 I126 E128L27-I111 HydrophobicContact CD2-CD1 4.22Å; I111-S113 PolarHBondContact O-N 2.78Å; I111-S113 VanDerWaalsContact O-N 3.09Å; I111-I126 HydrophobicContact CD1-CG2 3.74Å; I111-I126 WeakPolarHBondContact CG2-O 3.33Å; I111-E128 HydrophobicContact CG2-CG 4.4Å
112D91.9Very high94.1Very high102 Ų10260.4 Ų60.455%0.54532%0.322SS..THydrogen-bonded Turntrans60.214.2-174.1-64.1-58.8000115.1I126 R127D112-I126 PolarHBondContact N-O 3.23Å; D112-R127 IonicContact OD1-CZ 3.78Å; D112-R127 IonicContact OD1-NE 3.98Å; D112-R127 PolarHBondContact OD1-NE 3.31Å; D112-R127 IonicContact OD1-NH2 2.81Å
113S94Very high94Very high26 Ų2655.5 Ų55.518%0.18230%0.301CS..  trans-86.2138172.4-62.60000111.6P110 I111P110-S113 VanDerWaalsContact CB-OG 3.31Å; P110-S113 WeakPolarHBondContact CB-OG 3.4Å; P110-S113 WeakPolarHBondContact CD-OG 3.37Å; P110-S113 WeakPolarHBondContact CG-OG 3.39Å; P110-S113 VanDerWaalsContact O-CB 3.25Å; P110-S113 WeakPolarHBondContact O-CB 3.45Å; P110-S113 PolarHBondContact O-N 2.87Å; P110-S113 PolarHBondContact O-OG 3.47Å; I111-S113 PolarHBondContact O-N 2.78Å; I111-S113 VanDerWaalsContact O-N 3.09Å
114E95Very high94.1Very high92 Ų9252.6 Ų52.643%0.4328%0.282SS..EExtended strand (participates in β ladder)trans-76134.1174.2-63.2178.417600110.9I96 G97 H116 V123 Y124 I125I96-E114 CarbonylContact C-O 3.58Å; I96-E114 VanDerWaalsContact CA-O 3.3Å; I96-E114 WeakPolarHBondContact CA-O 3.37Å; G97-E114 PolarHBondContact N-O 3.27Å; E114-H116 IonicContact OE2-CE1 3.66Å; E114-V123 HydrophobicContact CB-CG1 3.67Å; E114-V123 HydrophobicContact CG-CG1 3.69Å; E114-Y124 CarbonylContact C-O 3.49Å; E114-I125 HydrophobicContact CG-CD1 4.1Å; E114-I125 HydrophobicContact CG-CG1 4.09Å
115I96.3Very high94.2Very high2 Ų246.9 Ų46.91%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-118.2134.6172.7-59.5159.7000108L85 T94 F95 V109 F117 Y124 I126L85-I115 HydrophobicContact CD2-CB 4.44Å; L85-I115 HydrophobicContact CD2-CD1 4.17Å; L85-I115 HydrophobicContact CD2-CG1 4.12Å; L85-I115 HydrophobicContact CD2-CG2 3.47Å; L85-I115 VanDerWaalsContact CD2-CG2 3.47Å; T94-I115 HydrophobicContact CG2-CG2 4.35Å; F95-I115 CarbonylContact O-C 3.43Å; F95-I115 WeakPolarHBondContact O-CA 3.3Å; V109-I115 HydrophobicContact CG1-CD1 3.91Å; V109-I115 HydrophobicContact CG1-CG1 3.98Å; V109-I115 HydrophobicContact CG2-CD1 4.4Å; I115-F117 HydrophobicContact CG2-CD1 4.39Å; I115-F117 HydrophobicContact CG2-CE1 3.76Å; I115-F117 HydrophobicContact CG2-CE2 4.14Å; I115-F117 HydrophobicContact CG2-CZ 3.63Å; I115-Y124 WeakPolarHBondContact CB-O 3.28Å; I115-Y124 PolarHBondContact N-O 2.66Å; I115-Y124 PolarHBondContact O-N 3.27Å; I115-I126 HydrophobicContact CD1-CD1 4.02Å; I115-I126 HydrophobicContact CD1-CG1 4.07Å
116H95.4Very high94.2Very high40 Ų4040.7 Ų40.719%0.18523%0.228CC..EExtended strand (participates in β ladder)trans-124.9142.4175.1-55.785.8000110.4F95 G97 E114 V123F95-H116 HydrophobicContact CB-CB 4.21Å; F95-H116 PolarHBondContact N-O 2.9Å; F95-H116 PolarHBondContact O-N 3.12Å; G97-H116 PolarHBondContact O-ND1 2.94Å; E114-H116 IonicContact OE2-CE1 3.66Å; H116-V123 WeakPolarHBondContact NE2-CG2 3.31Å
117F96.1Very high94.1Very high0 Ų041.1 Ų41.10%022%0.223CC..EExtended strand (participates in β ladder)trans-113.7114.3179.3-61.2-61.3000110F51 V62 C67 H71 A72 L85 T94 I115 A119 S120 Y124F51-F117 HydrophobicContact CB-CE1 4.26Å; F51-F117 HydrophobicContact CB-CE2 4.21Å; F51-F117 HydrophobicContact CB-CZ 3.95Å; F51-F117 AromaticContact CD1-CE2 3.54Å; F51-F117 HydrophobicContact CD1-CE2 3.54Å; F51-F117 AromaticContact CD1-CZ 3.66Å; F51-F117 HydrophobicContact CD1-CZ 3.66Å; F51-F117 AromaticContact CD2-CZ 3.92Å; F51-F117 HydrophobicContact CD2-CZ 3.92Å; F51-F117 HydrophobicContact CE1-CE2 4.05Å; F51-F117 HydrophobicContact CE1-CZ 4.13Å; F51-F117 HydrophobicContact CE2-CZ 4.38Å; F51-F117 HydrophobicContact CG-CE1 4.26Å; F51-F117 AromaticContact CG-CE2 3.86Å; F51-F117 HydrophobicContact CG-CE2 3.86Å; F51-F117 AromaticContact CG-CZ 3.54Å; F51-F117 HydrophobicContact CG-CZ 3.54Å; F51-F117 HydrophobicContact CZ-CZ 4.47Å; V62-F117 HydrophobicContact CG1-CB 4.27Å; V62-F117 HydrophobicContact CG1-CD2 4.44Å; V62-F117 HydrophobicContact CG2-CD2 3.92Å; V62-F117 HydrophobicContact CG2-CE2 4.39Å; C67-F117 PolarHBondContact SG-O 3.22Å; C67-F117 VanDerWaalsContact SG-O 3.34Å; H71-F117 AromaticContact CD2-CD1 3.4Å; H71-F117 VanDerWaalsContact CD2-CD1 3.4Å; H71-F117 WeakPolarHBondContact CD2-CD1 3.25Å; H71-F117 AromaticContact CD2-CG 3.95Å; H71-F117 AromaticContact NE2-CD1 3.75Å; A72-F117 HydrophobicContact CB-CD1 4.24Å; A72-F117 HydrophobicContact CB-CE1 3.79Å; L85-F117 HydrophobicContact CD1-CE1 4.33Å; L85-F117 HydrophobicContact CD2-CE1 4.43Å; T94-F117 HydrophobicContact CG2-CD1 3.76Å; T94-F117 HydrophobicContact CG2-CE1 3.77Å; I115-F117 HydrophobicContact CG2-CD1 4.39Å; I115-F117 HydrophobicContact CG2-CE1 3.76Å; I115-F117 HydrophobicContact CG2-CE2 4.14Å; I115-F117 HydrophobicContact CG2-CZ 3.63Å; F117-A119 PolarHBondContact O-N 3.3Å; F117-S120 WeakPolarHBondContact O-CB 3.42Å; F117-S120 PolarHBondContact O-N 3.15Å; F117-Y124 AromaticContact CD2-CD2 3.63Å; F117-Y124 HydrophobicContact CD2-CD2 3.63Å; F117-Y124 AromaticContact CD2-CE2 3.46Å; F117-Y124 HydrophobicContact CD2-CE2 3.46Å; F117-Y124 VanDerWaalsContact CD2-CE2 3.46Å; F117-Y124 HydrophobicContact CD2-CG 4.41Å; F117-Y124 HydrophobicContact CE2-CD1 4.31Å; F117-Y124 AromaticContact CE2-CD2 3.56Å; F117-Y124 HydrophobicContact CE2-CD2 3.56Å; F117-Y124 HydrophobicContact CE2-CE1 4.42Å; F117-Y124 AromaticContact CE2-CE2 3.73Å; F117-Y124 HydrophobicContact CE2-CE2 3.73Å; F117-Y124 AromaticContact CE2-CG 3.89Å; F117-Y124 HydrophobicContact CE2-CG 3.89Å
118G94.7Very high93.7Very high13 Ų1342.7 Ų42.713%0.13423%0.23CC..THydrogen-bonded Turntrans51.1-125.4-174.800000112.7H71 G93H71-G118 PolarHBondContact CE1-N 3.35Å; H71-G118 PolarHBondContact NE2-N 2.78Å; G93-G118 VanDerWaalsContact O-CA 3.32Å; G93-G118 WeakPolarHBondContact O-CA 3.33Å; G93-G118 PolarHBondContact O-N 3.32Å
119A94.4Very high92.8Very high57 Ų5742.7 Ų42.747%0.47123%0.227SC..THydrogen-bonded Turntrans-103.821.4176.700000112.8H64 S66 F117H64-A119 VanDerWaalsContact CE1-C 3.49Å; H64-A119 PolarHBondContact CE1-O 3.11Å; H64-A119 PolarHBondContact NE2-O 3.18Å; S66-A119 PolarHBondContact OG-N 2.9Å; F117-A119 PolarHBondContact O-N 3.3Å
120S93.8Very high91.5Very high12 Ų1244.3 Ų44.38%0.08424%0.238CC..  trans-61.4136172.81710000110.5F117 R122F117-S120 WeakPolarHBondContact O-CB 3.42Å; F117-S120 PolarHBondContact O-N 3.15Å; S120-R122 PolarHBondContact O-N 2.84Å; S120-R122 PolarHBondContact OG-N 2.91Å; S120-R122 VanDerWaalsContact OG-N 3.12Å
121T92.9Very high90Very high88 Ų8846 Ų4654%0.5424%0.243SC..SBendtrans-78-9.3172.859.30000113.5
122R94.1Very high88.1Confident55 Ų5544 Ų4421%0.20823%0.234CC..EExtended strand (participates in β ladder)trans-77.2134174.9-62.7179.8-179.2163.15.1110.7V31 L32 K33 D63 S120 Y124V31-R122 HydrophobicContact CG1-CB 4.1Å; V31-R122 HydrophobicContact CG1-CG 4.28Å; L32-R122 CarbonylContact O-C 3.5Å; L32-R122 WeakPolarHBondContact O-CA 3.4Å; K33-R122 HydrophobicContact CB-CG 4.39Å; K33-R122 HydrophobicContact CG-CG 4.46Å; D63-R122 IonicContact OD2-CZ 2.64Å; D63-R122 IonicContact OD2-NH1 3.12Å; D63-R122 PolarHBondContact OD2-NH1 3.49Å; D63-R122 VanDerWaalsContact OD2-NH1 3.13Å; D63-R122 IonicContact OD2-NH2 3.16Å; D63-R122 PolarHBondContact OD2-NH2 3.27Å; D63-R122 VanDerWaalsContact OD2-NH2 3.16Å; S120-R122 PolarHBondContact O-N 2.84Å; S120-R122 PolarHBondContact OG-N 2.91Å; S120-R122 VanDerWaalsContact OG-N 3.12Å; R122-Y124 HydrophobicContact CB-CE2 3.83Å
123V95.3Very high85.8Confident28 Ų2845 Ų4517%0.1724%0.239CC..EExtended strand (participates in β ladder)trans-105.1132.8174-170.60000108.5V31 L32 E114 H116 I125V31-V123 CarbonylContact C-O 3.54Å; V31-V123 WeakPolarHBondContact CA-O 3.28Å; L32-V123 HydrophobicContact CB-CB 4.4Å; L32-V123 PolarHBondContact N-O 3.44Å; L32-V123 PolarHBondContact O-N 3.16Å; E114-V123 HydrophobicContact CB-CG1 3.67Å; E114-V123 HydrophobicContact CG-CG1 3.69Å; H116-V123 WeakPolarHBondContact NE2-CG2 3.31Å; V123-I125 HydrophobicContact CG1-CG1 4.14Å
124Y96Very high83.6Confident4 Ų450.7 Ų50.72%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-112.7119.6-179.4-64.9-97000109.2L29 D30 V31 F51 E114 I115 F117 R122L29-Y124 HydrophobicContact CD2-CD1 3.55Å; L29-Y124 HydrophobicContact CD2-CE1 4.45Å; L29-Y124 HydrophobicContact CD2-CG 4.26Å; L29-Y124 HydrophobicContact CG-CD1 4.15Å; D30-Y124 CarbonylContact O-C 3.58Å; D30-Y124 VanDerWaalsContact O-CA 3.3Å; D30-Y124 WeakPolarHBondContact O-CA 3.47Å; V31-Y124 HydrophobicContact CB-CD1 4.37Å; V31-Y124 HydrophobicContact CB-CE1 4.26Å; V31-Y124 HydrophobicContact CG1-CD1 4.24Å; V31-Y124 HydrophobicContact CG1-CE1 3.81Å; V31-Y124 HydrophobicContact CG2-CD1 3.61Å; V31-Y124 HydrophobicContact CG2-CE1 3.51Å; F51-Y124 HydrophobicContact CE1-CD1 4.43Å; F51-Y124 HydrophobicContact CE1-CE1 4.5Å; E114-Y124 CarbonylContact C-O 3.49Å; I115-Y124 WeakPolarHBondContact CB-O 3.28Å; I115-Y124 PolarHBondContact N-O 2.66Å; I115-Y124 PolarHBondContact O-N 3.27Å; F117-Y124 AromaticContact CD2-CD2 3.63Å; F117-Y124 HydrophobicContact CD2-CD2 3.63Å; F117-Y124 AromaticContact CD2-CE2 3.46Å; F117-Y124 HydrophobicContact CD2-CE2 3.46Å; F117-Y124 VanDerWaalsContact CD2-CE2 3.46Å; F117-Y124 HydrophobicContact CD2-CG 4.41Å; F117-Y124 HydrophobicContact CE2-CD1 4.31Å; F117-Y124 AromaticContact CE2-CD2 3.56Å; F117-Y124 HydrophobicContact CE2-CD2 3.56Å; F117-Y124 HydrophobicContact CE2-CE1 4.42Å; F117-Y124 AromaticContact CE2-CE2 3.73Å; F117-Y124 HydrophobicContact CE2-CE2 3.73Å; F117-Y124 AromaticContact CE2-CG 3.89Å; F117-Y124 HydrophobicContact CE2-CG 3.89Å; R122-Y124 HydrophobicContact CB-CE2 3.83Å
125I94.9Very high81.1Confident11 Ų1153.1 Ų53.16%0.05627%0.273CS..EExtended strand (participates in β ladder)trans-117.9124.1-177.9-55.4179.8000109.3L29 D30 L32 E114 V123 R127L29-I125 CarbonylContact C-O 3.55Å; L29-I125 WeakPolarHBondContact CA-O 3.38Å; D30-I125 HydrophobicContact CB-CB 4.47Å; D30-I125 PolarHBondContact N-O 2.83Å; D30-I125 PolarHBondContact O-N 3.35Å; L32-I125 HydrophobicContact CD1-CB 4.37Å; L32-I125 HydrophobicContact CD1-CD1 3.61Å; L32-I125 HydrophobicContact CD1-CG1 3.83Å; E114-I125 HydrophobicContact CG-CD1 4.1Å; E114-I125 HydrophobicContact CG-CG1 4.09Å; V123-I125 HydrophobicContact CG1-CG1 4.14Å; I125-R127 HydrophobicContact CG2-CG 4.04Å; I125-R127 PolarHBondContact O-N 3.09Å
126I93.3Very high78.7Confident0 Ų059.9 Ų59.90%031%0.308CS..EExtended strand (participates in β ladder)trans-77.9123.9175.4-58.4177.1000108.1L27 L29 I43 L74 A83 V109 I111 D112 I115L27-I126 HydrophobicContact CD2-CG2 4.35Å; L29-I126 HydrophobicContact CD1-CB 4.41Å; L29-I126 HydrophobicContact CD1-CG1 3.56Å; I43-I126 HydrophobicContact CD1-CG2 4.3Å; L74-I126 HydrophobicContact CD1-CD1 4.05Å; L74-I126 HydrophobicContact CD2-CD1 4.43Å; A83-I126 HydrophobicContact CB-CD1 3.81Å; V109-I126 HydrophobicContact CB-CD1 3.94Å; V109-I126 HydrophobicContact CG1-CD1 3.78Å; I111-I126 HydrophobicContact CD1-CG2 3.74Å; I111-I126 WeakPolarHBondContact CG2-O 3.33Å; D112-I126 PolarHBondContact N-O 3.23Å; I115-I126 HydrophobicContact CD1-CD1 4.02Å; I115-I126 HydrophobicContact CD1-CG1 4.07Å
127R90.5Very high76.2Confident67 Ų6763.2 Ų63.225%0.25334%0.336SS..EExtended strand (participates in β ladder)trans-129.7153.6177-67-153.6167.397.90.4111.7H28 D30 D112 I125H28-R127 PolarHBondContact N-O 3.03Å; H28-R127 PolarHBondContact ND1-O 2.67Å; H28-R127 WeakPolarHBondContact NE2-CB 3.4Å; H28-R127 PolarHBondContact O-N 3.26Å; D30-R127 WeakPolarHBondContact OD2-CD 3.48Å; D30-R127 IonicContact OD2-CZ 3.46Å; D30-R127 IonicContact OD2-NE 3.32Å; D30-R127 IonicContact OD2-NH1 2.92Å; D30-R127 PolarHBondContact OD2-NH1 2.93Å; D112-R127 IonicContact OD1-CZ 3.78Å; D112-R127 IonicContact OD1-NE 3.98Å; D112-R127 PolarHBondContact OD1-NE 3.31Å; D112-R127 IonicContact OD1-NH2 2.81Å; I125-R127 HydrophobicContact CG2-CG 4.04Å; I125-R127 PolarHBondContact O-N 3.09Å
128E87.4Confident73.5Confident117 Ų11766.2 Ų66.255%0.54737%0.366SS..EExtended strand (participates in β ladder)trans-95.3150.4168.1-70.3-178.9-17700109.3L27 H28 I111 P130L27-E128 HydrophobicContact CD2-CG 3.55Å; L27-E128 HydrophobicContact CG-CG 4.31Å; H28-E128 VanDerWaalsContact CE1-C 3.42Å; H28-E128 PolarHBondContact CE1-O 3.06Å; H28-E128 VanDerWaalsContact CE1-O 3.26Å; I111-E128 HydrophobicContact CG2-CG 4.4Å; E128-P130 WeakPolarHBondContact O-CD 3.1Å
129R75.9Confident70.8Confident61 Ų6170.6 Ų70.623%0.2339%0.387CS..PPolyproline II helixtrans-56.5122.3176.8177-178.1170.390.2-7.9108.4G26 N131 L188 F191 N192G26-R129 WeakPolarHBondContact O-CB 3.32Å; G26-R129 PolarHBondContact O-N 3.49Å; R129-N131 PolarHBondContact O-N 2.96Å; R129-N131 VanDerWaalsContact O-N 3.09Å; R129-L188 VanDerWaalsContact CZ-CD1 3.42Å; R129-L188 VanDerWaalsContact NH2-CD1 3.34Å; R129-F191 HydrophobicContact CB-CD2 4.29Å; R129-F191 HydrophobicContact CB-CE2 4.01Å; R129-F191 HydrophobicContact CB-CZ 4.26Å; R129-F191 HydrophobicContact CG-CD1 4.45Å; R129-F191 HydrophobicContact CG-CD2 4.43Å; R129-F191 HydrophobicContact CG-CE1 4.39Å; R129-F191 HydrophobicContact CG-CE2 4.39Å; R129-F191 HydrophobicContact CG-CG 4.44Å; R129-F191 HydrophobicContact CG-CZ 4.35Å; R129-N192 PolarHBondContact NH1-OD1 2.95Å
130P65.7Low68.4Low36 Ų3674.7 Ų74.723%0.23441%0.408CS..PPolyproline II helixtrans-59.9119.4167.623.4-29.4000107.3E128 P132 E184 N187E128-P130 WeakPolarHBondContact O-CD 3.1Å; P130-P132 WeakPolarHBondContact O-CD 3.45Å; P130-E184 HydrophobicContact CB-CG 4.1Å; P130-N187 HydrophobicContact CG-CB 4.03Å
131N62.2Low65.8Low98 Ų9877.5 Ų77.552%0.52443%0.428SS..  trans-81.9113.6-163.4-151.115.9000109.3R129R129-N131 PolarHBondContact O-N 2.96Å; R129-N131 VanDerWaalsContact O-N 3.09Å
132P50.8Low63.5Low16 Ų1679.2 Ų79.210%0.10443%0.434CS..SBend-118121.6129.832.6-26.2000107.2P130 Q177 L188P130-P132 WeakPolarHBondContact O-CD 3.45Å; P132-Q177 WeakPolarHBondContact CB-O 3.31Å; P132-L188 HydrophobicContact CG-CD2 3.94Å
133L44.3Very low61Low121 Ų12183 Ų8363%0.63447%0.466SS*.SBendtrans78.871.2162.4-44.6167.8000117.2Q177L133-Q177 HydrophobicContact CD2-CB 4.47Å; L133-Q177 HydrophobicContact CD2-CG 4.11Å
134Y47.7Very low58.3Low146 Ų14687.7 Ų87.757%0.57349%0.49SS*.SBendtrans-138.5-5.4150-164.7-101.7000116T25T25-Y134 WeakPolarHBondContact OG1-CE1 3.25Å
135N42.2Very low55.9Low144 Ų14493.2 Ų93.277%0.7753%0.529SS*.SBendtrans-9811.1178.8-87.818.1000115.9
136I45Very low53.5Low143 Ų143100.1 Ų100.173%0.73356%0.561SS**SBendtrans-112.93.5179.1-69151.6000112.6G138I136-G138 PolarHBondContact O-N 3.11Å
137S44.1Very low51Low111 Ų111106.3 Ų106.378%0.77660%0.599SS**  trans-86.520.7169.8-169.50000113.3N139S137-N139 PolarHBondContact O-N 3.16Å
138G37.9Very low49Very low62 Ų62110.8 Ų110.864%0.63963%0.627SS**SBendtrans-78.3101.615800000108I136I136-G138 PolarHBondContact O-N 3.11Å
139N39.6Very low46.8Very low106 Ų106111.9 Ų111.957%0.56764%0.637SS**  trans-1.7112.4163.6-15114000115S137 S141S137-N139 PolarHBondContact O-N 3.16Å; N139-S141 PolarHBondContact ND2-OG 3.34Å; N139-S141 PolarHBondContact O-N 3.48Å; N139-S141 PolarHBondContact OD1-OG 3.35Å
140P42.3Very low45.1Very low142 Ų142112.7 Ų112.792%0.92266%0.664SS**THydrogen-bonded Turntrans-70.220.2178.628.9-33.3000113.7
141S40.4Very low43.9Very low71 Ų71119.5 Ų119.550%0.49770%0.698SS.*THydrogen-bonded Turntrans-107.42.6-176.566.60000115N139 P143N139-S141 PolarHBondContact ND2-OG 3.34Å; N139-S141 PolarHBondContact O-N 3.48Å; N139-S141 PolarHBondContact OD1-OG 3.35Å; S141-P143 WeakPolarHBondContact O-CD 3.16Å
142D43.1Very low42.9Very low125 Ų125117.7 Ų117.767%0.66870%0.703SS**  trans-115.497.9178.5-72.1-32.9000111.8N144D142-N144 PolarHBondContact O-N 3.13Å
143P42.5Very low42.5Very low135 Ų135123.5 Ų123.588%0.87774%0.738SS**THydrogen-bonded Turntrans-77.630.8-177.432-35.5000114.2S141S141-P143 WeakPolarHBondContact O-CD 3.16Å
144N39.6Very low42.2Very low125 Ų125126.6 Ų126.667%0.66875%0.752SS**THydrogen-bonded Turntrans-135.321.3-165-14612.5000117.2D142 Q146D142-N144 PolarHBondContact O-N 3.13Å; N144-Q146 PolarHBondContact O-N 3.09Å
145S44.7Very low41.7Very low120 Ų120123.1 Ų123.184%0.83976%0.761SS**  trans-89.386.1166.4173.10000109.8T147S145-T147 PolarHBondContact O-N 3.41Å
146Q43.8Very low41.7Very low157 Ų157121.8 Ų121.873%0.73476%0.76SS**  trans-49128178.1-68.5164.420.600112.3N144 L148N144-Q146 PolarHBondContact O-N 3.09Å; Q146-L148 PolarHBondContact O-N 3.29Å
147T40.4Very low41.5Very low129 Ų129123.2 Ų123.279%0.79176%0.763SS**  trans-50121.8160.847.10000110S145 D149S145-T147 PolarHBondContact O-N 3.41Å; T147-D149 PolarHBondContact O-N 3.16Å
148L49.8Very low41.8Very low162 Ų162125.2 Ų125.285%0.84877%0.765SS**  trans-75.3104.5168.4-152.494.1000108.3Q146Q146-L148 PolarHBondContact O-N 3.29Å
149D41.6Very low41.9Very low140 Ų140133.6 Ų133.675%0.74978%0.778SS**  trans29.3118.2133.8-40.9-33.2000116.2T147T147-D149 PolarHBondContact O-N 3.16Å
150G39.3Very low42Very low77 Ų77135.4 Ų135.479%0.79479%0.787SS**  cis116.39934.100000108.9
151N40.5Very low42Very low179 Ų179136.5 Ų136.596%0.95779%0.785SS**  trans-172.6125.3149.7-14927.6000112.5
152G40.7Very low42Very low61 Ų61139.2 Ų139.263%0.62979%0.793SS**  trans127.186.9153.400000118.5
153T43.7Very low42Very low137 Ų137137.2 Ų137.284%0.8480%0.803SS**  trans8186.9134.3-42.10000119.8
154M37.6Very low42.3Very low187 Ų187134 Ų13492%0.92178%0.783SS**  trans11.3124.5132.9-55.1-70.5-88.800119.4
155G37.2Very low42.6Very low73 Ų73132.6 Ų132.675%0.75378%0.776SS**  trans-175.2115.6158.300000111.3
156P42.3Very low43.1Very low116 Ų116132.2 Ų132.275%0.75377%0.773SS**  trans-111.592.4-167.937.1-24.5000112.9
157E41.3Very low43.6Very low172 Ų172128 Ų12880%0.80477%0.765SS**  trans-169.597.1168.926.6-148.2125.700113.8
158N48.8Very low44.2Very low154 Ų154125.8 Ų125.882%0.82475%0.752SS**  171.7118.1113.8-102.2-37.7000111.4
159R40.1Very low44.4Very low238 Ų238123.1 Ų123.190%0.89874%0.738SS**  trans-79.7119.6160.5-61.6173.1-169.7166.63.1106.7
160N41.9Very low45.3Very low144 Ų144119.4 Ų119.477%0.7772%0.723SS**  trans-170.9111.4151.8-84.5-35.9000106.3
161L43.8Very low46.1Very low165 Ų165120.4 Ų120.486%0.86471%0.71SS**  77.486.692.1-152.6103.4000111.2
162D39.6Very low47Very low127 Ų127114 Ų11468%0.67969%0.687SS**  177.2134.2129.4-168.725000110.6S164D162-S164 PolarHBondContact O-N 3.37Å; D162-S164 PolarHBondContact OD2-OG 2.81Å
163G43Very low47.9Very low84 Ų84116 Ų11687%0.86668%0.682SS**  trans-96.444.3-172.200000113.7
164S48.3Very low48.6Very low66 Ų66114.7 Ų114.746%0.46267%0.669SS.*  trans-119.72.6-170.869.40000116.7D162D162-S164 PolarHBondContact O-N 3.37Å; D162-S164 PolarHBondContact OD2-OG 2.81Å
165D46.8Very low49.5Very low96 Ų96113.5 Ų113.551%0.51366%0.656SS.*THydrogen-bonded Turntrans-98.412.8-163.8-73.4-33.5000118.3T168 N169D165-T168 PolarHBondContact O-OG1 2.81Å; D165-T168 PolarHBondContact OD1-OG1 3.32Å; D165-N169 PolarHBondContact O-ND2 2.84Å
166S54.6Low50.6Low112 Ų112113.5 Ų113.578%0.78364%0.644SS**Hα-helixtrans-78.4-30.7176.2-690000113.5S170S166-S170 PolarHBondContact O-N 2.87Å
167A54.3Low51.4Low68 Ų68110.3 Ų110.356%0.56262%0.619SS**Hα-helixtrans-80.4-35.8-178.600000112.7S170 L171A167-S170 PolarHBondContact O-N 3.36Å; A167-S170 PolarHBondContact O-OG 2.82Å; A167-L171 PolarHBondContact O-N 2.79Å
168T52.7Low52.7Low84 Ų84107 Ų10752%0.51561%0.606SS.*Hα-helixtrans-69.1-37.3178.652.50000111.7D165 L171 G172D165-T168 PolarHBondContact O-OG1 2.81Å; D165-T168 PolarHBondContact OD1-OG1 3.32Å; T168-L171 PolarHBondContact O-N 2.86Å; T168-G172 PolarHBondContact O-N 2.81Å
169N54.4Low53.7Low106 Ų106101.3 Ų101.357%0.56758%0.578SS**Hα-helixtrans-66-35.2173-82.9-49.5000113D165 L171 G172 L173D165-N169 PolarHBondContact O-ND2 2.84Å; N169-L171 VanDerWaalsContact C-N 3.35Å; N169-G172 PolarHBondContact O-N 3.27Å; N169-L173 WeakPolarHBondContact O-CB 3.42Å; N169-L173 WeakPolarHBondContact O-CG 3.29Å; N169-L173 PolarHBondContact O-N 2.82Å
170S60.1Low55.2Low61 Ų6197.2 Ų97.243%0.42757%0.569SS.*Hα-helixtrans-65.1-39.6175.776.70000111.9S166 A167 L174S166-S170 PolarHBondContact O-N 2.87Å; A167-S170 PolarHBondContact O-N 3.36Å; A167-S170 PolarHBondContact O-OG 2.82Å; S170-L174 VanDerWaalsContact O-CG 3.28Å; S170-L174 WeakPolarHBondContact O-CG 3.25Å; S170-L174 PolarHBondContact O-N 2.85Å
171L57.6Low57.1Low98 Ų9893.2 Ų93.251%0.51355%0.552SS.*Hα-helixtrans-69.5-46.1177-137.1108.6000110.7A167 T168 N169 L173 L174 Y175A167-L171 PolarHBondContact O-N 2.79Å; T168-L171 PolarHBondContact O-N 2.86Å; N169-L171 VanDerWaalsContact C-N 3.35Å; L171-L173 VanDerWaalsContact C-N 3.27Å; L171-L173 PolarHBondContact O-N 3.26Å; L171-L174 PolarHBondContact O-N 2.97Å; L171-Y175 HydrophobicContact CD2-CD2 3.89Å; L171-Y175 HydrophobicContact CD2-CE2 3.39Å; L171-Y175 HydrophobicContact CG-CD2 4.18Å; L171-Y175 HydrophobicContact CG-CE2 3.94Å; L171-Y175 VanDerWaalsContact O-CD2 3.25Å; L171-Y175 WeakPolarHBondContact O-CD2 3.41Å; L171-Y175 PolarHBondContact O-N 3.28Å
172G58.6Low59Low46 Ų4692.9 Ų92.947%0.47455%0.546SS..Hα-helixtrans-61.2-34.8178.100000113.3T168 N169 S176T168-G172 PolarHBondContact O-N 2.81Å; N169-G172 PolarHBondContact O-N 3.27Å; G172-S176 PolarHBondContact O-N 3.25Å
173L59.6Low61.1Low102 Ų10291.5 Ų91.553%0.53454%0.542SS..Hα-helixtrans-61.6-59.4166.2-75.5168.5000109.2N169 L171 Y175 S176 Q177N169-L173 WeakPolarHBondContact O-CB 3.42Å; N169-L173 WeakPolarHBondContact O-CG 3.29Å; N169-L173 PolarHBondContact O-N 2.82Å; L171-L173 VanDerWaalsContact C-N 3.27Å; L171-L173 PolarHBondContact O-N 3.26Å; L173-Y175 PolarHBondContact O-N 3.21Å; L173-Y175 VanDerWaalsContact O-N 3.08Å; L173-S176 CarbonylContact O-C 3.58Å; L173-S176 WeakPolarHBondContact O-CA 3.37Å; L173-S176 VanDerWaalsContact O-CB 3.25Å; L173-S176 WeakPolarHBondContact O-CB 3.48Å; L173-S176 PolarHBondContact O-N 2.73Å; L173-Q177 PolarHBondContact O-N 3.31Å; L173-Q177 PolarHBondContact O-NE2 3.13Å; L173-Q177 PolarHBondContact O-OE1 3.46Å
174L57.8Low62.9Low110 Ų11089.7 Ų89.758%0.57651%0.511SS*.Hα-helixtrans-55.7-34.2-175.5-66.9179.2000114.2S170 L171 Q177 L178S170-L174 VanDerWaalsContact O-CG 3.28Å; S170-L174 WeakPolarHBondContact O-CG 3.25Å; S170-L174 PolarHBondContact O-N 2.85Å; L171-L174 PolarHBondContact O-N 2.97Å; L174-Q177 PolarHBondContact O-N 2.98Å; L174-L178 PolarHBondContact O-N 3.32Å
175Y56.9Low64.4Low161 Ų16190.6 Ų90.663%0.63151%0.511SS*.Hα-helixtrans-70.2-33.3173.8-85.9-82.4000113.4L171 L173 Q177L171-Y175 HydrophobicContact CD2-CD2 3.89Å; L171-Y175 HydrophobicContact CD2-CE2 3.39Å; L171-Y175 HydrophobicContact CG-CD2 4.18Å; L171-Y175 HydrophobicContact CG-CE2 3.94Å; L171-Y175 VanDerWaalsContact O-CD2 3.25Å; L171-Y175 WeakPolarHBondContact O-CD2 3.41Å; L171-Y175 PolarHBondContact O-N 3.28Å; L173-Y175 PolarHBondContact O-N 3.21Å; L173-Y175 VanDerWaalsContact O-N 3.08Å; Y175-Q177 PolarHBondContact O-N 3.23Å
176S59.9Low66.2Low73 Ų7390.5 Ų90.551%0.5151%0.51SS..Hα-helixtrans-69.2-23.1170.2177.40000112.3G172 L173G172-S176 PolarHBondContact O-N 3.25Å; L173-S176 CarbonylContact O-C 3.58Å; L173-S176 WeakPolarHBondContact O-CA 3.37Å; L173-S176 VanDerWaalsContact O-CB 3.25Å; L173-S176 WeakPolarHBondContact O-CB 3.48Å; L173-S176 PolarHBondContact O-N 2.73Å
177Q60.3Low67.6Low50 Ų5087 Ų8723%0.23448%0.483CS..THydrogen-bonded Turntrans-90.52.8179.6-70.8108.742.800115.1P132 L133 L173 L174 Y175P132-Q177 WeakPolarHBondContact CB-O 3.31Å; L133-Q177 HydrophobicContact CD2-CB 4.47Å; L133-Q177 HydrophobicContact CD2-CG 4.11Å; L173-Q177 PolarHBondContact O-N 3.31Å; L173-Q177 PolarHBondContact O-NE2 3.13Å; L173-Q177 PolarHBondContact O-OE1 3.46Å; L174-Q177 PolarHBondContact O-N 2.98Å; Y175-Q177 PolarHBondContact O-N 3.23Å
178L67.5Low68.9Low101 Ų10184.7 Ų84.753%0.52946%0.461SS..SBendtrans-96.8145.6171.4-71.7164.1000109.7L174 Q180L174-L178 PolarHBondContact O-N 3.32Å; L178-Q180 PolarHBondContact O-N 3.13Å; L178-Q180 VanDerWaalsContact O-N 3.17Å
179P70Confident70.4Confident35 Ų3584 Ų8423%0.22746%0.456CS..  trans-50.9123.8172.7-2735.5000110.8E184 L185 L188P179-E184 WeakPolarHBondContact CA-OE2 3.3Å; P179-E184 HydrophobicContact CB-CB 4.21Å; P179-E184 HydrophobicContact CB-CG 4.07Å; P179-L185 HydrophobicContact CB-CB 3.94Å; P179-L185 HydrophobicContact CB-CD1 4.24Å; P179-L185 HydrophobicContact CG-CB 4.49Å; P179-L185 HydrophobicContact CG-CD1 3.95Å; P179-L188 HydrophobicContact CG-CD2 3.58Å
180Q72Confident71.8Confident152 Ų15281 Ų8171%0.7144%0.439SS*.  trans-86.5-18.6-172.4-62.2-178.111.300112.2L178 E184L178-Q180 PolarHBondContact O-N 3.13Å; L178-Q180 VanDerWaalsContact O-N 3.17Å; Q180-E184 PolarHBondContact N-OE2 2.77Å
181S82.4Confident72.8Confident60 Ų6078.5 Ų78.542%0.4242%0.421SS..SBendtrans-130.4154.5179.567.20000111.9V183 E184 L185S181-V183 PolarHBondContact O-N 3.46Å; S181-E184 PolarHBondContact O-N 3.42Å; S181-E184 VanDerWaalsContact O-N 3.14Å; S181-E184 WeakPolarHBondContact OG-CB 3.32Å; S181-E184 PolarHBondContact OG-N 3.12Å; S181-E184 VanDerWaalsContact OG-N 3.12Å; S181-L185 PolarHBondContact O-N 2.73Å
182E83.5Confident74.1Confident158 Ų15876.8 Ų76.874%0.73841%0.412SS*.Hα-helixtrans-56.1-39172.8-174.3173.9-176.600111.3E184 L185 D186E182-E184 PolarHBondContact O-N 3.08Å; E182-L185 PolarHBondContact O-N 2.75Å; E182-D186 WeakPolarHBondContact O-CB 3.08Å; E182-D186 PolarHBondContact O-N 2.91Å
183V83.4Confident75.4Confident99 Ų9977.5 Ų77.560%0.641%0.407SS*.Hα-helixtrans-63.1-41.7176.61780000111.9S181 N187S181-V183 PolarHBondContact O-N 3.46Å; V183-N187 WeakPolarHBondContact O-CB 3.32Å; V183-N187 VanDerWaalsContact O-CG 3.31Å; V183-N187 PolarHBondContact O-N 3.49Å; V183-N187 PolarHBondContact O-ND2 3.47Å
184E79.6Confident76.3Confident45 Ų4573 Ų7321%0.2139%0.385CS..Hα-helixtrans-67.3-41.6176.8-171.9-178.1-176.900111.3P130 P179 Q180 S181 E182 N187 L188P130-E184 HydrophobicContact CB-CG 4.1Å; P179-E184 WeakPolarHBondContact CA-OE2 3.3Å; P179-E184 HydrophobicContact CB-CB 4.21Å; P179-E184 HydrophobicContact CB-CG 4.07Å; Q180-E184 PolarHBondContact N-OE2 2.77Å; S181-E184 PolarHBondContact O-N 3.42Å; S181-E184 VanDerWaalsContact O-N 3.14Å; S181-E184 WeakPolarHBondContact OG-CB 3.32Å; S181-E184 PolarHBondContact OG-N 3.12Å; S181-E184 VanDerWaalsContact OG-N 3.12Å; E182-E184 PolarHBondContact O-N 3.08Å; E184-N187 PolarHBondContact O-N 2.86Å; E184-L188 VanDerWaalsContact O-CB 3.28Å; E184-L188 WeakPolarHBondContact O-CB 3.41Å; E184-L188 PolarHBondContact O-N 3.49Å
185L81.2Confident77.4Confident86 Ų8671 Ų7145%0.4537%0.373SS..Hα-helixtrans-62-43.4177-177.563.1000111.7P179 S181 E182 L188 T189P179-L185 HydrophobicContact CB-CB 3.94Å; P179-L185 HydrophobicContact CB-CD1 4.24Å; P179-L185 HydrophobicContact CG-CB 4.49Å; P179-L185 HydrophobicContact CG-CD1 3.95Å; S181-L185 PolarHBondContact O-N 2.73Å; E182-L185 PolarHBondContact O-N 2.75Å; L185-L188 PolarHBondContact O-N 3.4Å; L185-T189 VanDerWaalsContact O-CB 3.26Å; L185-T189 WeakPolarHBondContact O-CB 3.36Å; L185-T189 PolarHBondContact O-N 3.09Å; L185-T189 PolarHBondContact O-OG1 3.28Å
186D83.7Confident78.3Confident94 Ų9467.6 Ų67.650%0.50337%0.365SS..Hα-helixtrans-63.7-47.1177-78.5-7.5000111.3E182 L188 T189 E190E182-D186 WeakPolarHBondContact O-CB 3.08Å; E182-D186 PolarHBondContact O-N 2.91Å; D186-L188 VanDerWaalsContact C-N 3.32Å; D186-L188 PolarHBondContact O-N 2.91Å; D186-T189 PolarHBondContact O-N 2.8Å; D186-E190 WeakPolarHBondContact O-CB 3.24Å; D186-E190 PolarHBondContact O-N 3.4Å
187N84.1Confident79.2Confident39 Ų3970.2 Ų70.221%0.20936%0.364CS..Hα-helixtrans-60.2-42176.9-78.7-50.3000112.2P130 V183 E184 F191P130-N187 HydrophobicContact CG-CB 4.03Å; V183-N187 WeakPolarHBondContact O-CB 3.32Å; V183-N187 VanDerWaalsContact O-CG 3.31Å; V183-N187 PolarHBondContact O-N 3.49Å; V183-N187 PolarHBondContact O-ND2 3.47Å; E184-N187 PolarHBondContact O-N 2.86Å; N187-F191 WeakPolarHBondContact O-CB 3.34Å; N187-F191 PolarHBondContact O-N 2.88Å
188L81.8Confident79.5Confident18 Ų1870.7 Ų70.79%0.09436%0.364CS..Hα-helixtrans-66.8-44.8177.3-178.562.4000111.6R129 P132 P179 E184 L185 D186 F191 N192R129-L188 VanDerWaalsContact CZ-CD1 3.42Å; R129-L188 VanDerWaalsContact NH2-CD1 3.34Å; P132-L188 HydrophobicContact CG-CD2 3.94Å; P179-L188 HydrophobicContact CG-CD2 3.58Å; E184-L188 VanDerWaalsContact O-CB 3.28Å; E184-L188 WeakPolarHBondContact O-CB 3.41Å; E184-L188 PolarHBondContact O-N 3.49Å; L185-L188 PolarHBondContact O-N 3.4Å; D186-L188 VanDerWaalsContact C-N 3.32Å; D186-L188 PolarHBondContact O-N 2.91Å; L188-F191 PolarHBondContact O-N 3.37Å; L188-N192 WeakPolarHBondContact O-CB 3.5Å; L188-N192 VanDerWaalsContact O-CG 3.23Å; L188-N192 PolarHBondContact O-N 3.19Å; L188-N192 PolarHBondContact O-ND2 2.62Å
189T84Confident79Confident70 Ų7070.3 Ų70.343%0.42936%0.361SS..Hα-helixtrans-61.3-46177.5-62.60000110.5L185 D186 N192 T193L185-T189 VanDerWaalsContact O-CB 3.26Å; L185-T189 WeakPolarHBondContact O-CB 3.36Å; L185-T189 PolarHBondContact O-N 3.09Å; L185-T189 PolarHBondContact O-OG1 3.28Å; D186-T189 PolarHBondContact O-N 2.8Å; T189-N192 PolarHBondContact O-N 3.43Å; T189-T193 VanDerWaalsContact O-CB 3.29Å; T189-T193 WeakPolarHBondContact O-CB 3.25Å; T189-T193 PolarHBondContact O-N 2.82Å; T189-T193 PolarHBondContact O-OG1 3Å
190E83.4Confident78.1Confident42 Ų4271.8 Ų71.820%0.19637%0.372CS..Hα-helixtrans-67.4-39.1178.6-172.3171.5169.300112L37 K40 D186 T193 A194L37-E190 VanDerWaalsContact CD2-CD 3.48Å; L37-E190 WeakPolarHBondContact CD2-OE2 3.45Å; L37-E190 WeakPolarHBondContact CG-OE1 3.42Å; L37-E190 WeakPolarHBondContact CG-OE2 3.19Å; K40-E190 HydrophobicContact CB-CG 3.81Å; K40-E190 WeakPolarHBondContact CB-OE1 3.45Å; K40-E190 HydrophobicContact CD-CB 4.42Å; K40-E190 HydrophobicContact CD-CG 4.16Å; K40-E190 PolarHBondContact N-OE1 3.25Å; K40-E190 VanDerWaalsContact N-OE1 3.12Å; D186-E190 WeakPolarHBondContact O-CB 3.24Å; D186-E190 PolarHBondContact O-N 3.4Å; E190-T193 PolarHBondContact O-N 3.4Å; E190-A194 VanDerWaalsContact O-CB 3.29Å; E190-A194 WeakPolarHBondContact O-CB 3.36Å; E190-A194 PolarHBondContact O-N 3.15Å
191F81.6Confident77.2Confident10 Ų1068.6 Ų68.64%0.04437%0.366CS..Hα-helixtrans-58.9-51.1172.6-179.2-77.8000111.4H28 K40 I42 R129 N187 L188 T193 A194 H195H28-F191 HydrophobicContact CB-CD2 4.19Å; H28-F191 HydrophobicContact CB-CE2 4.21Å; H28-F191 AromaticContact CE1-CD2 3.92Å; H28-F191 AromaticContact CG-CD2 3.84Å; H28-F191 AromaticContact ND1-CD2 3.44Å; H28-F191 WeakPolarHBondContact ND1-CD2 3.18Å; H28-F191 AromaticContact ND1-CE2 3.68Å; K40-F191 VanDerWaalsContact CD-CA 3.47Å; K40-F191 HydrophobicContact CD-CB 3.85Å; K40-F191 HydrophobicContact CD-CD2 4.36Å; I42-F191 HydrophobicContact CD1-CD2 3.89Å; I42-F191 HydrophobicContact CD1-CE2 3.76Å; I42-F191 HydrophobicContact CD1-CG 4.47Å; I42-F191 HydrophobicContact CD1-CZ 4.25Å; R129-F191 HydrophobicContact CB-CD2 4.29Å; R129-F191 HydrophobicContact CB-CE2 4.01Å; R129-F191 HydrophobicContact CB-CZ 4.26Å; R129-F191 HydrophobicContact CG-CD1 4.45Å; R129-F191 HydrophobicContact CG-CD2 4.43Å; R129-F191 HydrophobicContact CG-CE1 4.39Å; R129-F191 HydrophobicContact CG-CE2 4.39Å; R129-F191 HydrophobicContact CG-CG 4.44Å; R129-F191 HydrophobicContact CG-CZ 4.35Å; N187-F191 WeakPolarHBondContact O-CB 3.34Å; N187-F191 PolarHBondContact O-N 2.88Å; L188-F191 PolarHBondContact O-N 3.37Å; F191-T193 VanDerWaalsContact C-N 3.29Å; F191-T193 PolarHBondContact O-N 3.2Å; F191-A194 PolarHBondContact O-N 3.14Å; F191-H195 HydrophobicContact CE1-CB 4.41Å; F191-H195 VanDerWaalsContact O-CB 3.3Å; F191-H195 WeakPolarHBondContact O-CB 3.34Å; F191-H195 PolarHBondContact O-N 3.03Å
192N84.1Confident75.6Confident61 Ų6173.7 Ų73.733%0.32639%0.386SS..Hα-helixtrans-62.9-39.6-179.7-68.7-19.8000110.9R129 L188 T189 H195 N196R129-N192 PolarHBondContact NH1-OD1 2.95Å; L188-N192 WeakPolarHBondContact O-CB 3.5Å; L188-N192 VanDerWaalsContact O-CG 3.23Å; L188-N192 PolarHBondContact O-N 3.19Å; L188-N192 PolarHBondContact O-ND2 2.62Å; T189-N192 PolarHBondContact O-N 3.43Å; N192-H195 PolarHBondContact O-N 2.64Å; N192-N196 WeakPolarHBondContact O-CB 3.05Å; N192-N196 PolarHBondContact O-N 3.2Å; N192-N196 PolarHBondContact O-ND2 3.25Å
193T86.2Confident74.2Confident61 Ų6171.3 Ų71.337%0.37438%0.382SS..Hα-helixtrans-63.4-46.7175.9-58.80000111.5T189 E190 F191 N196 R197T189-T193 VanDerWaalsContact O-CB 3.29Å; T189-T193 WeakPolarHBondContact O-CB 3.25Å; T189-T193 PolarHBondContact O-N 2.82Å; T189-T193 PolarHBondContact O-OG1 3Å; E190-T193 PolarHBondContact O-N 3.4Å; F191-T193 VanDerWaalsContact C-N 3.29Å; F191-T193 PolarHBondContact O-N 3.2Å; T193-N196 PolarHBondContact O-N 3.4Å; T193-R197 WeakPolarHBondContact O-CG 3.26Å; T193-R197 PolarHBondContact O-N 3.35Å
194A79.8Confident72.5Confident9 Ų972.7 Ų72.77%0.07439%0.386CS..Hα-helixtrans-63.9-42.8177.800000112K40 I42 E190 F191 N196 R197 R198K40-A194 HydrophobicContact CB-CB 4.04Å; K40-A194 HydrophobicContact CG-CB 4.44Å; K40-A194 WeakPolarHBondContact O-CB 3.28Å; I42-A194 HydrophobicContact CD1-CB 4.15Å; I42-A194 HydrophobicContact CG1-CB 4.28Å; E190-A194 VanDerWaalsContact O-CB 3.29Å; E190-A194 WeakPolarHBondContact O-CB 3.36Å; E190-A194 PolarHBondContact O-N 3.15Å; F191-A194 PolarHBondContact O-N 3.14Å; A194-N196 VanDerWaalsContact C-N 3.34Å; A194-N196 PolarHBondContact O-N 2.92Å; A194-R197 PolarHBondContact O-N 3.34Å; A194-R198 PolarHBondContact O-N 2.75Å
195H79.4Confident71Confident68 Ų6877 Ų7732%0.31542%0.415SS..Hα-helixtrans-61-41.2174.9-173.2-83000111.7F191 N192 R198F191-H195 HydrophobicContact CE1-CB 4.41Å; F191-H195 VanDerWaalsContact O-CB 3.3Å; F191-H195 WeakPolarHBondContact O-CB 3.34Å; F191-H195 PolarHBondContact O-N 3.03Å; N192-H195 PolarHBondContact O-N 2.64Å; H195-R198 VanDerWaalsContact O-CB 3.3Å; H195-R198 WeakPolarHBondContact O-CB 3.25Å; H195-R198 PolarHBondContact O-N 3.1Å
196N77.2Confident69.3Low89 Ų8977.5 Ų77.548%0.47643%0.431SS..Hα-helixtrans-73.7-34.2177.9-70-16.7000113.7N192 T193 A194 R198 I199 S200N192-N196 WeakPolarHBondContact O-CB 3.05Å; N192-N196 PolarHBondContact O-N 3.2Å; N192-N196 PolarHBondContact O-ND2 3.25Å; T193-N196 PolarHBondContact O-N 3.4Å; A194-N196 VanDerWaalsContact C-N 3.34Å; A194-N196 PolarHBondContact O-N 2.92Å; N196-R198 PolarHBondContact O-N 3.02Å; N196-I199 PolarHBondContact O-N 3.46Å; N196-S200 PolarHBondContact O-N 3.28Å; N196-S200 VanDerWaalsContact O-N 3.13Å; N196-S200 PolarHBondContact O-OG 3.44Å
197R78.7Confident67.6Low127 Ų12778.4 Ų78.448%0.47945%0.445SS..Hα-helixtrans-57.8-35.6172.4-80.6-170.4-68-120.61.3111.8T193 A194 S200 S201T193-R197 WeakPolarHBondContact O-CG 3.26Å; T193-R197 PolarHBondContact O-N 3.35Å; A194-R197 PolarHBondContact O-N 3.34Å; R197-S200 PolarHBondContact O-N 2.9Å; R197-S201 PolarHBondContact O-N 3.45Å
198R65.7Low65.5Low61 Ų6183.2 Ų83.223%0.2347%0.471CS..Hα-helixtrans-62.6-39.8174.1-173-167.2-158.4140.119.7112.6D44 E45 A194 H195 N196 S200 S201D44-R198 IonicContact OD1-CZ 3.99Å; D44-R198 IonicContact OD1-NH1 2.98Å; D44-R198 PolarHBondContact OD1-NH1 2.86Å; E45-R198 IonicContact OE1-CZ 2.77Å; E45-R198 IonicContact OE1-NE 3.89Å; E45-R198 PolarHBondContact OE1-NE 3.4Å; E45-R198 IonicContact OE1-NH1 3.82Å; E45-R198 PolarHBondContact OE1-NH1 3.31Å; E45-R198 IonicContact OE1-NH2 3.58Å; E45-R198 PolarHBondContact OE1-NH2 3.36Å; E45-R198 IonicContact OE2-CZ 2.86Å; E45-R198 IonicContact OE2-NE 3.27Å; E45-R198 PolarHBondContact OE2-NE 3.02Å; E45-R198 IonicContact OE2-NH2 2.69Å; E45-R198 PolarHBondContact OE2-NH2 3.44Å; A194-R198 PolarHBondContact O-N 2.75Å; H195-R198 VanDerWaalsContact O-CB 3.3Å; H195-R198 WeakPolarHBondContact O-CB 3.25Å; H195-R198 PolarHBondContact O-N 3.1Å; N196-R198 PolarHBondContact O-N 3.02Å; R198-S200 VanDerWaalsContact C-N 3.32Å; R198-S201 PolarHBondContact O-OG 3.2Å; R198-S201 VanDerWaalsContact O-OG 3.09Å
199I57.6Low63.6Low92 Ų9288 Ų8847%0.47250%0.503SS..Hα-helixtrans-67.8-37.7178.9-59.6173.2000110.3N196 S201 M202N196-I199 PolarHBondContact O-N 3.46Å; I199-S201 PolarHBondContact O-N 2.83Å; I199-M202 WeakPolarHBondContact O-CB 3.47Å; I199-M202 PolarHBondContact O-N 2.83Å; I199-M202 VanDerWaalsContact O-N 3.16Å
200S50.7Low61.6Low67 Ų6789.7 Ų89.747%0.46951%0.513SS..Hα-helixtrans-66.5-37.3-177.4-56.10000112.9N196 R197 R198 M202 V203 D204N196-S200 PolarHBondContact O-N 3.28Å; N196-S200 VanDerWaalsContact O-N 3.13Å; N196-S200 PolarHBondContact O-OG 3.44Å; R197-S200 PolarHBondContact O-N 2.9Å; R198-S200 VanDerWaalsContact C-N 3.32Å; S200-M202 PolarHBondContact O-N 2.72Å; S200-M202 VanDerWaalsContact O-N 3.11Å; S200-V203 PolarHBondContact O-N 2.86Å; S200-D204 PolarHBondContact O-N 3.2Å
201S52.5Low60Low84 Ų8494.8 Ų94.859%0.58754%0.541SS*.THydrogen-bonded Turntrans-66.1-14.7176.469.50000113.7R197 R198 I199R197-S201 PolarHBondContact O-N 3.45Å; R198-S201 PolarHBondContact O-OG 3.2Å; R198-S201 VanDerWaalsContact O-OG 3.09Å; I199-S201 PolarHBondContact O-N 2.83Å
202M49.8Very low58Low168 Ų168100.4 Ų100.483%0.82858%0.578SS**THydrogen-bonded Turntrans-85.6-13.3173.8-134.1167.3-166.700113.1I199 S200I199-M202 WeakPolarHBondContact O-CB 3.47Å; I199-M202 PolarHBondContact O-N 2.83Å; I199-M202 VanDerWaalsContact O-N 3.16Å; S200-M202 PolarHBondContact O-N 2.72Å; S200-M202 VanDerWaalsContact O-N 3.11Å
203V54.2Low56.2Low107 Ų107103.7 Ų103.765%0.64860%0.6SS**THydrogen-bonded Turntrans-98.9-18.3-177.5-179.10000112.6S200 V205S200-V203 PolarHBondContact O-N 2.86Å; V203-V205 VanDerWaalsContact C-N 3.32Å; V203-V205 PolarHBondContact O-N 2.92Å
204D47.6Very low54.2Low128 Ų128108.2 Ų108.268%0.68462%0.622SS**  trans-85.713.7-178.3-71.6-32000115.7S200 A206S200-D204 PolarHBondContact O-N 3.2Å; D204-A206 VanDerWaalsContact C-N 3.34Å; D204-A206 PolarHBondContact O-N 3.07Å
205V48.3Very low52.4Low136 Ų136117.8 Ų117.882%0.82466%0.662SS**  trans-91.468.4170.2-173.60000109.8V203V203-V205 VanDerWaalsContact C-N 3.32Å; V203-V205 PolarHBondContact O-N 2.92Å
206A45.3Very low51Low96 Ų96120.7 Ų120.779%0.79369%0.685SS**  trans-1367.3174.400000115D204D204-A206 VanDerWaalsContact C-N 3.34Å; D204-A206 PolarHBondContact O-N 3.07Å
207S46.8Very low49.6Very low113 Ų113128.3 Ų128.379%0.7971%0.707SS**SBendtrans-125.432.5-174.267.40000115.9
208N41.6Very low48.3Very low140 Ų140132.1 Ų132.175%0.74973%0.727SS**  trans-133.7112.1170.2-159.44.7000111.8T210N208-T210 PolarHBondContact O-N 3.14Å
209P41.7Very low48Very low120 Ų120140.2 Ų140.278%0.77976%0.758SS**  trans-96.363.7-170.238.8-33.7000111.8
210T41.4Very low47.9Very low105 Ų105141.9 Ų141.964%0.64477%0.774SS**  trans-160.7104.9163.946.10000109.3N208N208-T210 PolarHBondContact O-N 3.14Å
211I49.2Very low48.2Very low149 Ų149145.9 Ų145.976%0.76479%0.789SS**  trans158.8119.4150.8-78.3149.2000107.1T213I211-T213 PolarHBondContact O-N 2.91Å
212P40Very low48.5Very low128 Ų128150.8 Ų150.883%0.83180%0.803SS**  trans-79.8113.817831.2-29000109.8
213T47.4Very low48.8Very low130 Ų130149 Ų14980%0.79880%0.797SS**  trans-85.2129.1175.250.10000111I211I211-T213 PolarHBondContact O-N 2.91Å
214N43.4Very low49.2Very low155 Ų155149.2 Ų149.283%0.82980%0.799SS**  trans-61.7143.2174.7-96.3-36.7000111.9T216N214-T216 PolarHBondContact O-N 3.24Å; N214-T216 VanDerWaalsContact O-N 3.14Å
215K41.7Very low50Low210 Ų210151 Ų15191%0.91380%0.802SS**  trans-48.9106.1-178.6-61.9167.8-179.4174.30112.6
216T50.1Low50.5Low129 Ų129152.8 Ų152.879%0.79180%0.799SS**  trans-131.9136.1156.151.60000109.7N214 K218N214-T216 PolarHBondContact O-N 3.24Å; N214-T216 VanDerWaalsContact O-N 3.14Å; T216-K218 PolarHBondContact O-N 2.8Å
217R47.2Very low51.5Low250 Ų250152.8 Ų152.894%0.94379%0.793SS**  trans-57.2113.6-161-67.1169.3170.3168.8-5.2112R219R217-R219 PolarHBondContact O-N 3.22Å
218K51.9Low52.4Low206 Ų206154.5 Ų154.590%0.89679%0.794SS**  trans-62.5114.8165.6-67.5-170.9175.4-174.40108.3T216T216-K218 PolarHBondContact O-N 2.8Å
219R58.8Low53.6Low232 Ų232151.2 Ų151.288%0.87579%0.786SS**PPolyproline II helixtrans-65.8137.2164-74.9179154.2-178.1-7.8107.9R217 L221R217-R219 PolarHBondContact O-N 3.22Å; R219-L221 PolarHBondContact O-N 3.1Å
220P56.2Low54.8Low127 Ų127152.4 Ų152.483%0.82579%0.786SS**PPolyproline II helixtrans-6412517926.9-31.8000108.6Q222P220-Q222 PolarHBondContact O-N 3.32Å
221L57.5Low56.1Low150 Ų150155.8 Ų155.879%0.78579%0.794SS**PPolyproline II helixtrans-56.7129.4165.2-72.2149.3000106.7R219 N223R219-L221 PolarHBondContact O-N 3.1Å; L221-N223 PolarHBondContact O-N 3.23Å
222Q57.5Low57.2Low187 Ų187154.1 Ų154.187%0.87479%0.791SS**  trans-69.680.6174.9-170.9166.74.200107.8P220 V224P220-Q222 PolarHBondContact O-N 3.32Å; Q222-V224 PolarHBondContact O-N 2.97Å
223N56.3Low58.5Low130 Ų130153.1 Ų153.170%0.69578%0.778SS**  trans-68.7107.7167.9-86.670.3000107L221 H225L221-N223 PolarHBondContact O-N 3.23Å; N223-H225 PolarHBondContact O-N 2.79Å
224V63.2Low59.7Low113 Ų113150.3 Ų150.369%0.68576%0.758SS**  trans-66.8102.4163.7-179.50000106.2Q222 F226Q222-V224 PolarHBondContact O-N 2.97Å; V224-F226 HydrophobicContact CG1-CE2 4.33Å; V224-F226 HydrophobicContact CG1-CZ 4.37Å
225H63.9Low60.8Low165 Ų165147.7 Ų147.776%0.76475%0.749SS**  trans-90.5118.3167.4-137.575.2000106.1N223 S227N223-H225 PolarHBondContact O-N 2.79Å; H225-S227 PolarHBondContact O-N 2.88Å
226F59.5Low62.1Low173 Ų173144.4 Ų144.476%0.75974%0.737SS**  trans-71.2107.4161.3-65.9-83.5000105.4V224 D228V224-F226 HydrophobicContact CG1-CE2 4.33Å; V224-F226 HydrophobicContact CG1-CZ 4.37Å; F226-D228 PolarHBondContact O-N 3Å
227S66Low63.2Low96 Ų96143.2 Ų143.267%0.67173%0.726SS**  trans-68.7109161.248.80000105.9H225 A229H225-S227 PolarHBondContact O-N 2.88Å; S227-A229 PolarHBondContact O-N 2.91Å
228D66.1Low64.1Low149 Ų149134.7 Ų134.780%0.79770%0.701SS**  trans-67.463.3159.2-68.4-27000107.6F226 D230F226-D228 PolarHBondContact O-N 3Å; D228-D230 VanDerWaalsContact C-N 3.34Å; D228-D230 PolarHBondContact O-N 3.33Å
229A66.5Low64.7Low72 Ų72128.3 Ų128.360%0.59568%0.677SS**  trans-8294.4164.300000104.4S227 E231S227-A229 PolarHBondContact O-N 2.91Å; A229-E231 VanDerWaalsContact C-N 3.35Å; A229-E231 PolarHBondContact O-N 2.84Å
230D66.2Low65.3Low144 Ų144122.7 Ų122.777%0.7767%0.671SS**  trans-53.8102.9167-69.3-36.2000107.6D228 V232D228-D230 VanDerWaalsContact C-N 3.34Å; D228-D230 PolarHBondContact O-N 3.33Å; D230-V232 VanDerWaalsContact C-N 3.25Å; D230-V232 PolarHBondContact O-N 2.76Å
231E68.7Low65.9Low176 Ų176121.2 Ų121.282%0.82266%0.663SS**  trans-68.991.1167.4-78.2-175.2174.900107.2A229 I233A229-E231 VanDerWaalsContact C-N 3.35Å; A229-E231 PolarHBondContact O-N 2.84Å; E231-I233 PolarHBondContact O-N 2.82Å; E231-I233 VanDerWaalsContact O-N 3.08Å
232V72.4Confident66Low114 Ų114120 Ų12069%0.69166%0.656SS**  trans-73.296.5169.3-177.90000107.2D230D230-V232 VanDerWaalsContact C-N 3.25Å; D230-V232 PolarHBondContact O-N 2.76Å
233I67.6Low65.9Low108 Ų108113.4 Ų113.455%0.55464%0.638SS**  trans-77.3120.4169.7-56.7172.1000106.8E231 D237 V238E231-I233 PolarHBondContact O-N 2.82Å; E231-I233 VanDerWaalsContact O-N 3.08Å; I233-D237 HydrophobicContact CG2-CB 3.97Å; I233-V238 HydrophobicContact CG2-CG2 3.81Å
234N73Confident66.1Low70 Ų70119 Ų11937%0.37465%0.65SS.*  trans-70.2145.9174.7-51.7-63.6000109.1E236 D237N234-E236 HydrophobicContact CB-CG 4.07Å; N234-E236 WeakPolarHBondContact CB-OE1 3.49Å; N234-E236 VanDerWaalsContact CB-OE2 3.24Å; N234-E236 WeakPolarHBondContact CB-OE2 3.4Å; N234-E236 PolarHBondContact O-N 2.8Å; N234-D237 WeakPolarHBondContact CB-OD2 3.39Å; N234-D237 PolarHBondContact N-OD2 3.22Å; N234-D237 PolarHBondContact ND2-OD2 2.82Å; N234-D237 WeakPolarHBondContact O-CB 3.42Å; N234-D237 PolarHBondContact O-N 2.99Å
235P66.3Low65.9Low100 Ų100120.9 Ų120.965%0.64965%0.649SS**THydrogen-bonded Turntrans-58.4-22.8-178.722.3-32.6000113.8
236E70.4Confident65.7Low142 Ų142122.5 Ų122.566%0.66465%0.648SS**THydrogen-bonded Turntrans-75.5-21.217363.8-90.6-151.200114.8N234 V238N234-E236 HydrophobicContact CB-CG 4.07Å; N234-E236 WeakPolarHBondContact CB-OE1 3.49Å; N234-E236 VanDerWaalsContact CB-OE2 3.24Å; N234-E236 WeakPolarHBondContact CB-OE2 3.4Å; N234-E236 PolarHBondContact O-N 2.8Å; E236-V238 VanDerWaalsContact C-N 3.27Å
237D71.4Confident65.8Low104 Ų104121.9 Ų121.956%0.55665%0.653SS**SBendtrans-81.2-9.8179.4-64.1-41.2000111.9I233 N234 D239I233-D237 HydrophobicContact CG2-CB 3.97Å; N234-D237 WeakPolarHBondContact CB-OD2 3.39Å; N234-D237 PolarHBondContact N-OD2 3.22Å; N234-D237 PolarHBondContact ND2-OD2 2.82Å; N234-D237 WeakPolarHBondContact O-CB 3.42Å; N234-D237 PolarHBondContact O-N 2.99Å; D237-D239 PolarHBondContact O-N 2.78Å
238V67Low65.8Low70 Ų70124.3 Ų124.342%0.42466%0.658SS.*SBendtrans-87.7104.2175.9-175.60000109.3I233 E236 P240I233-V238 HydrophobicContact CG2-CG2 3.81Å; E236-V238 VanDerWaalsContact C-N 3.27Å; V238-P240 WeakPolarHBondContact O-CD 3.45Å
239D64.9Low65.7Low72 Ų72123 Ų12339%0.38565%0.649SS.*  trans-55.9119.9176.3-177.6-17.7000110.7D237 S241 I242D237-D239 PolarHBondContact O-N 2.78Å; D239-S241 PolarHBondContact O-N 2.98Å; D239-S241 VanDerWaalsContact OD1-CB 3.31Å; D239-S241 WeakPolarHBondContact OD1-CB 3.44Å; D239-S241 PolarHBondContact OD1-N 3.03Å; D239-S241 PolarHBondContact OD1-OG 3.24Å; D239-S241 PolarHBondContact OD2-OG 3.46Å; D239-S241 VanDerWaalsContact OD2-OG 3.06Å; D239-I242 HydrophobicContact CB-CB 4.38Å; D239-I242 HydrophobicContact CB-CD1 3.56Å; D239-I242 HydrophobicContact CB-CG1 3.7Å; D239-I242 PolarHBondContact O-N 3.32Å
240P70.1Confident65.6Low115 Ų115128.2 Ų128.275%0.74766%0.661SS**THydrogen-bonded Turntrans-63.2-12.4-178.624.1-32.6000114V238V238-P240 WeakPolarHBondContact O-CD 3.45Å
241S70.4Confident65.9Low96 Ų96127.8 Ų127.867%0.67166%0.655SS**THydrogen-bonded Turntrans-89-12.3176.373.60000114.1D239D239-S241 PolarHBondContact O-N 2.98Å; D239-S241 VanDerWaalsContact OD1-CB 3.31Å; D239-S241 WeakPolarHBondContact OD1-CB 3.44Å; D239-S241 PolarHBondContact OD1-N 3.03Å; D239-S241 PolarHBondContact OD1-OG 3.24Å; D239-S241 PolarHBondContact OD2-OG 3.46Å; D239-S241 VanDerWaalsContact OD2-OG 3.06Å
242I59.4Low66.1Low124 Ų124124.6 Ų124.664%0.63665%0.648SS**SBendtrans-103.4104-176.2-47.9175.3000110D239D239-I242 HydrophobicContact CB-CB 4.38Å; D239-I242 HydrophobicContact CB-CD1 3.56Å; D239-I242 HydrophobicContact CB-CG1 3.7Å; D239-I242 PolarHBondContact O-N 3.32Å
243G54.5Low66.1Low48 Ų48127.5 Ų127.550%0.49565%0.651SS.*  trans108.6115.7156.100000115.6F245G243-F245 PolarHBondContact O-N 3.46Å
244R60.7Low66.2Low249 Ų249129.3 Ų129.394%0.9466%0.66SS**THydrogen-bonded Turntrans-58.69.5166.5-78.5-166.7168.5-169.3-1.4115
245F58.9Low66Low151 Ų151131.4 Ų131.466%0.66268%0.678SS**THydrogen-bonded Turntrans-103.414.7-172.4-56.8-71.6000113.7G243 N247 L248G243-F245 PolarHBondContact O-N 3.46Å; F245-N247 PolarHBondContact O-N 3.23Å; F245-L248 PolarHBondContact O-N 3.26Å
246R59.1Low65.7Low199 Ų199134 Ų13475%0.75169%0.686SS**THydrogen-bonded Turntrans-54.8-18.6179.4-151.1175.3178172.70.3114.3
247N62.1Low65.1Low160 Ų160136.1 Ų136.186%0.85669%0.693SS**THydrogen-bonded Turntrans-92.11.7177.1-62.6-17.3000114.6F245F245-N247 PolarHBondContact O-N 3.23Å
248L67Low64Low148 Ų148142.7 Ų142.778%0.77571%0.71SS**SBendtrans-104.1-1.7179-122.185.1000113.6F245F245-L248 PolarHBondContact O-N 3.26Å
249I62.7Low63.3Low121 Ų121145.4 Ų145.462%0.62173%0.727SS**  trans-91.6117.7-177.9-55.9172.9000108.1
250Q65.5Low62.3Low181 Ų181152.4 Ų152.485%0.84675%0.754SS**  trans-100.9112173-168.7174.7-15.800108.7
251E70.9Confident61Low136 Ų136150.2 Ų150.264%0.63675%0.752SS**  trans-83.5131.6178.9-169.4175.2-168.300110F253E251-F253 HydrophobicContact CG-CD2 4.45Å; E251-F253 HydrophobicContact CG-CE2 4.23Å; E251-F253 WeakPolarHBondContact OE1-CE2 3.34Å
252T74Confident59.5Low109 Ų109151.3 Ų151.367%0.66976%0.76SS**  trans-130.4114.7172.3-59.40000109.3I254T252-I254 PolarHBondContact O-N 3.28Å
253F71.5Confident58.8Low174 Ų174154.7 Ų154.776%0.76377%0.773SS**  trans-73.3119.6175.6-86-95.9000110.5E251 P255E251-F253 HydrophobicContact CG-CD2 4.45Å; E251-F253 HydrophobicContact CG-CE2 4.23Å; E251-F253 WeakPolarHBondContact OE1-CE2 3.34Å; F253-P255 VanDerWaalsContact O-CD 3.29Å; F253-P255 WeakPolarHBondContact O-CD 2.87Å
254I69.6Low58.1Low146 Ų146161 Ų16175%0.74979%0.789SS**  trans-97.6105.4170.2-57.6174.3000108.3T252 N256T252-I254 PolarHBondContact O-N 3.28Å; I254-N256 PolarHBondContact O-N 2.8Å; I254-N256 VanDerWaalsContact O-N 3.16Å
255P69.3Low57.2Low115 Ų115152.2 Ų152.275%0.74778%0.777SS**  trans-70.6111.8176.525.7-30.9000110.7F253 K257F253-P255 VanDerWaalsContact O-CD 3.29Å; F253-P255 WeakPolarHBondContact O-CD 2.87Å; P255-K257 VanDerWaalsContact C-N 3.33Å; P255-K257 PolarHBondContact O-N 2.75Å
256N59.6Low56.5Low153 Ų153149.7 Ų149.782%0.81878%0.784SS**  trans-74.877.6176.3-118.92.9000111.1I254 R258I254-N256 PolarHBondContact O-N 2.8Å; I254-N256 VanDerWaalsContact O-N 3.16Å; N256-R258 PolarHBondContact O-N 2.85Å
257K58.5Low55.9Low187 Ų187144.6 Ų144.681%0.81378%0.778SS**  trans-89.195.1163.6-93.7-171.8175.9-179.70109.6P255 T259P255-K257 VanDerWaalsContact C-N 3.33Å; P255-K257 PolarHBondContact O-N 2.75Å; K257-T259 PolarHBondContact O-N 2.83Å
258R48.7Very low54.9Low242 Ų242144.9 Ų144.991%0.91378%0.779SS**  trans-54.8101.3161.3-75.8179.9168.8174.8-2.6108.9N256N256-R258 PolarHBondContact O-N 2.85Å
259T52.8Low53.8Low128 Ų128141 Ų14179%0.78578%0.775SS**  trans-121.9117160.145.90000108.6K257 G261K257-T259 PolarHBondContact O-N 2.83Å; T259-G261 PolarHBondContact O-N 2.87Å
260K42.2Very low52.8Low219 Ų219142.7 Ų142.795%0.95279%0.79SS**  trans-70.6111.4178.3179.2-179.1-177.3178.70107.8
261G44.6Very low51.5Low68 Ų68138.6 Ų138.670%0.70179%0.788SS**  trans164.4108170.900000114.3T259T259-G261 PolarHBondContact O-N 2.87Å
262S38.5Very low50Low119 Ų119136.1 Ų136.183%0.83279%0.79SS**  trans45.8106.6149.8-140.50000119E264S262-E264 PolarHBondContact O-N 3.37Å
263H43.4Very low48.6Very low195 Ų195137 Ų13790%0.90380%0.798SS**  trans-79.8100.4172-169.8-81.3000110.2
264E41.1Very low46.9Very low180 Ų180137.7 Ų137.784%0.84180%0.804SS**  trans-138.8133.5161.2-90.6-167.5157.200109.2S262S262-E264 PolarHBondContact O-N 3.37Å
265G41.3Very low45.7Very low66 Ų66138.7 Ų138.768%0.6881%0.81SS**  trans86.3117.1163.500000113.5
266A44.7Very low44.2Very low98 Ų98138.4 Ų138.481%0.8181%0.808SS**  86.6113.986.200000107.8
267S46.7Very low43.2Very low91 Ų91140 Ų14064%0.63681%0.81SS**  119132.669.3163.10000105.8
268L41.2Very low42.3Very low167 Ų167136.3 Ų136.387%0.87480%0.803SS**  trans50.4111145.7-56.4168.8000115
269G43Very low41.8Very low66 Ų66132.5 Ų132.568%0.6879%0.794SS**  121.1152.768.500000108.1A271G269-A271 PolarHBondContact O-N 2.93Å
270V41.4Very low41Very low156 Ų156135.7 Ų135.795%0.94579%0.791SS**  trans-56.6104.1173.3171.80000108.4
271A38.5Very low40.8Very low96 Ų96130.8 Ų130.879%0.79378%0.78SS**  trans-91.9109.4169.100000108.3G269G269-A271 PolarHBondContact O-N 2.93Å
272A40.6Very low40.7Very low83 Ų83134 Ų13469%0.68679%0.787SS**PPolyproline II helixtrans-66.1150.9168.800000110.5
273P42.6Very low40.7Very low129 Ų129131.7 Ų131.784%0.83878%0.781SS**PPolyproline II helixtrans-75145.1-17430.3-32.8000112.3
274E35.8Very low40.7Very low188 Ų188131.2 Ų131.288%0.87978%0.776SS**PPolyproline II helixtrans-68.6147.4-174.5-55.1-153.9147.600114.4
275L45.2Very low40.8Very low167 Ų167128.9 Ų128.987%0.87477%0.77SS**  trans-122.8129155.3-74.5176.2000107.8
276P37.8Very low40.7Very low109 Ų109132.2 Ų132.271%0.70877%0.772SS**  trans-90.9145.1176.835-29.3000110.2
277E39.7Very low40.8Very low185 Ų185132.5 Ų132.586%0.86476%0.764SS**  trans-176.4107.6145.2-87.6-114.9169.100111.2
278T37.7Very low40.5Very low110 Ų110135.7 Ų135.768%0.67577%0.773SS**  55.9111.1127.33.60000122.4
279F39.1Very low40.6Very low163 Ų163131.5 Ų131.572%0.71577%0.771SS**  109.9134.8119.5-147.1-136.6000121.3
280R36.6Very low40.5Very low194 Ų194135.5 Ų135.573%0.73278%0.777SS**  trans86.299160.5-50-165.5-176.5-163.7-2.6118.4
281T38.3Very low40.4Very low117 Ų117135.6 Ų135.672%0.71877%0.772SS**  54.7124.786.666.10000113.4
282T40.7Very low40.6Very low136 Ų136135.8 Ų135.883%0.83477%0.767SS**  -179135.758.9-360000112.1
283G39.1Very low40.6Very low70 Ų70137.2 Ų137.272%0.72277%0.767SS**  trans70.7154.9139.400000121.7
284K44Very low40.6Very low184 Ų184139.3 Ų139.380%0.877%0.765SS**  cis179.1133.7-19.8-115.6-179.8-176.41780105.9
285N41.8Very low40.8Very low131 Ų131136.9 Ų136.970%0.70176%0.759SS**  trans68.4149.9143.6-52.1-4.8000118
286N41Very low40.6Very low136 Ų136133.8 Ų133.873%0.72775%0.751SS**  cis-172.8148.57.1-122.1-3.6000109.7
287V46.9Very low40.7Very low105 Ų105131.9 Ų131.964%0.63675%0.751SS**  74.5114.3128.6174.90000122.5
288D40.5Very low40.6Very low157 Ų157135 Ų13584%0.8476%0.755SS**  trans58.2137.7132.2-53-15.9000124.4
289G42.4Very low40.7Very low79 Ų79135.3 Ų135.381%0.81476%0.761SS**  trans150.493148.400000119.4
290N41.3Very low40.6Very low151 Ų151135.2 Ų135.281%0.80777%0.768SS**  trans-13.6146.9160.3-64.1-24.9000124.4
291N39.5Very low40.7Very low157 Ų157134.4 Ų134.484%0.8477%0.774SS**  trans76.4148.4132.2-77.6-7.8000125.1
292S41.8Very low40.6Very low101 Ų101137.1 Ų137.171%0.70678%0.778SS**  trans92.5104.9164.3-168.80000116.2
293V40.8Very low40.5Very low112 Ų112139.5 Ų139.568%0.67978%0.782SS**  65.4132.972-164.80000114.8
294H42.4Very low40.5Very low173 Ų173145.3 Ų145.380%0.80179%0.787SS**  trans87145.5170.3-52.1-63.5000116.2
295N40.9Very low40.2Very low138 Ų138143.9 Ų143.974%0.73879%0.789SS**  cis-174.6148.7-15179.729.6000105.9
296S41.3Very low40.1Very low101 Ų101145.4 Ų145.471%0.70680%0.795SS**  trans52.2130.5150.564.50000122.6
297G39.2Very low40Very low69 Ų69149 Ų14971%0.71180%0.804SS**  trans161.482.4148.100000118.6
298R38.3Very low39.6Very low252 Ų252146.8 Ų146.895%0.95180%0.804SS**  trans54.9114.2139.7-58.7177.9172.4-173.1-2.9119.7
299S38.9Very low39.9Very low116 Ų116144.3 Ų144.381%0.81180%0.796SS**  -162.9123.8128.4-154.80000113.7
300L36.8Very low39.7Very low161 Ų161149.4 Ų149.484%0.84380%0.798SS**  trans12.1116.7153.3-14765.2000120.1
301M38.2Very low40.2Very low177 Ų177150.8 Ų150.887%0.87279%0.793SS**  trans-80.9116.3172.7-51.1-79.9176.400110.4
302H36.1Very low41Very low174 Ų174147.9 Ų147.981%0.80679%0.785SS**  trans-86122.7160.5-120.177000107.9K304H302-K304 PolarHBondContact O-N 3.41Å; H302-K304 VanDerWaalsContact O-N 3.11Å
303M39.3Very low42Very low186 Ų186149.3 Ų149.392%0.91678%0.784SS**  trans-65.7109.4178.1-73.3-70.5-177.300109.9
304K39.8Very low42.9Very low191 Ų191146.3 Ų146.383%0.8377%0.772SS**  trans-86.1133172.9-84.4179.4173178.60110.7H302H302-K304 PolarHBondContact O-N 3.41Å; H302-K304 VanDerWaalsContact O-N 3.11Å
305N37.4Very low43.7Very low155 Ų155141.8 Ų141.883%0.82976%0.759SS**  trans20.4111.8138.7-70.811.8000117.7F307N305-F307 PolarHBondContact O-N 3.04Å
306I40.6Very low44.8Very low163 Ų163143.5 Ų143.584%0.83676%0.76SS**SBendtrans-88.376.7165.6-57.5168.6000107.6
307F38.6Very low46Very low210 Ų210144.5 Ų144.592%0.92176%0.757SS**  trans-159.998.5160.3-86.6-71.7000108N305N305-F307 PolarHBondContact O-N 3.04Å
308G38.7Very low47.3Very low60 Ų60144.5 Ų144.562%0.61976%0.757SS**  trans-105.8157.9-179.400000112.8
309P46Very low48.9Very low104 Ų104137.6 Ų137.668%0.67574%0.739SS**  trans-107.3139.8-141.136.5-27.5000113.6Y311P309-Y311 HydrophobicContact CB-CD1 4.18Å; P309-Y311 HydrophobicContact CB-CE1 3.74Å
310H38.8Very low50.2Low187 Ų187137.8 Ų137.887%0.86674%0.737SS**  trans-130.178.9165.829-92.7000109.2
311Y50.5Low51.4Low179 Ų179134.8 Ų134.870%0.70273%0.725SS**  trans-140.998.2161.257.5-89000106.4P309P309-Y311 HydrophobicContact CB-CD1 4.18Å; P309-Y311 HydrophobicContact CB-CE1 3.74Å
312S57.7Low52.8Low96 Ų96130.8 Ų130.867%0.67171%0.712SS**  trans-145.413.6-175.9-159.90000115.9
313L61Low54Low131 Ų131129.2 Ų129.269%0.68671%0.71SS**SBendtrans-100.9-43.8168.9-87167000112.7S315 K316 L317L313-S315 PolarHBondContact O-N 3.45Å; L313-K316 PolarHBondContact O-N 2.88Å; L313-L317 PolarHBondContact O-N 3.43Å
314A60.6Low54.6Low50 Ų50127.9 Ų127.941%0.41371%0.706SS.*G310 helixtrans-63-40.3-179.600000112.7K316 L317A314-K316 PolarHBondContact O-N 3.27Å; A314-L317 PolarHBondContact O-N 2.82Å
315S60.2Low55.1Low77 Ų77121.7 Ų121.754%0.53869%0.69SS.*G310 helixtrans-67.9-22175.1-44.60000113.3L313L313-S315 PolarHBondContact O-N 3.45Å
316K63Low56.1Low175 Ų175119.4 Ų119.476%0.76168%0.684SS**G310 helixtrans-86.1-17.4178.8-160.3169.7-177.9-179.40112.7L313 A314L313-K316 PolarHBondContact O-N 2.88Å; A314-K316 PolarHBondContact O-N 3.27Å
317L66.3Low56.6Low121 Ų121118.9 Ų118.963%0.63468%0.683SS**THydrogen-bonded Turntrans-98.78-179.6-67174.9000113.7L313 A314 L319L313-L317 PolarHBondContact O-N 3.43Å; A314-L317 PolarHBondContact O-N 2.82Å; L317-L319 HydrophobicContact CB-CD1 4.2Å; L317-L319 HydrophobicContact CB-CG 4.1Å; L317-L319 PolarHBondContact O-N 3.28Å
318G66Low57.4Low70 Ų70115.4 Ų115.472%0.72268%0.679SS**THydrogen-bonded Turntrans62.314.7179.900000114
319L73.2Confident57.6Low107 Ų107120.3 Ų120.356%0.5669%0.685SS**  trans-75.7127.9-179.9-68.6174.3000109L317 V321L317-L319 HydrophobicContact CB-CD1 4.2Å; L317-L319 HydrophobicContact CB-CG 4.1Å; L317-L319 PolarHBondContact O-N 3.28Å; L319-V321 PolarHBondContact O-N 3.13Å
320P65.9Low57.3Low120 Ų120120.5 Ų120.578%0.77969%0.689SS**  trans-62.5113.4173.824.7-30.7000108.4
321V62.3Low57.3Low98 Ų98119.7 Ų119.759%0.59469%0.686SS**  trans-70.9124.1175.2-167.20000107L319 N323L319-V321 PolarHBondContact O-N 3.13Å; V321-N323 PolarHBondContact O-N 2.92Å
322P66.2Low56.8Low93 Ų93117 Ų11760%0.60469%0.69SS**  trans-61.5133.5172.724.5-30.9000108.7L324P322-L324 PolarHBondContact O-N 3.03Å
323N62.7Low56Low141 Ų141121.2 Ų121.275%0.75470%0.699SS**  trans-64.2100.7176.7-172.818.8000109.3V321 A325V321-N323 PolarHBondContact O-N 2.92Å; N323-A325 PolarHBondContact O-N 3.3Å
324L50.7Low55.1Low157 Ų157122.7 Ų122.782%0.82270%0.703SS**  trans-95.463.1178.9-71.8166.5000109.8P322P322-L324 PolarHBondContact O-N 3.03Å
325A51.1Low54.2Low62 Ų62126.2 Ų126.251%0.51272%0.721SS.*  trans160.2107.1153.500000109.3N323N323-A325 PolarHBondContact O-N 3.3Å
326P59.2Low53.1Low107 Ų107128.6 Ų128.670%0.69573%0.732SS**  trans-72.5127.8158.429.5-27.5000108.5V328P326-V328 PolarHBondContact O-N 3.06Å
327D50.8Low52.2Low152 Ų152128 Ų12881%0.81374%0.737SS**  trans-59.3120.1169.5-64.6-54.3000109.2
328V55Low51.4Low137 Ų137127.8 Ų127.883%0.8374%0.742SS**  trans-10495.5169.4179.40000107.3P326P326-V328 PolarHBondContact O-N 3.06Å
329E41.6Very low50.2Low163 Ų163130 Ų13076%0.76275%0.745SS**  trans-77154.1164.4-122.6112.7-148.600110.5
330S40.7Very low48.8Very low108 Ų108131.8 Ų131.876%0.75576%0.76SS**  trans67130.3162.746.10000117.3
331E38.9Very low47.8Very low170 Ų170133.2 Ų133.279%0.79477%0.766SS**  cis-159.7160.122.2-87.4-129.9133.200110.1
332P40.6Very low46.7Very low121 Ų121132.5 Ų132.579%0.78677%0.771SS**  trans-89.5109.9165.232.8-23.5000110.6
333Q40.8Very low45.4Very low186 Ų186136.8 Ų136.887%0.86979%0.785SS**  trans-100.9103.1174.6-156.8177.2-9.700110.7
334E41.3Very low44.4Very low162 Ų162137.4 Ų137.476%0.75779%0.787SS**  trans-74.1138.2169.1-172.8177.2-179.500110.1T336E334-T336 PolarHBondContact O-N 2.97Å
335P41.2Very low43.9Very low124 Ų124138.6 Ų138.681%0.80579%0.788SS**  trans-79.1106.4-18030-30.5000110.6
336T38.7Very low43.5Very low126 Ų126139.7 Ų139.777%0.77380%0.797SS**PPolyproline II helixtrans-100.7124.9168.2500000110.2E334E334-T336 PolarHBondContact O-N 2.97Å
337L43.4Very low42.7Very low164 Ų164145.1 Ų145.186%0.85981%0.806SS**PPolyproline II helixtrans-81.9143.9176.7-66.8169.1000110.5
338P49.2Very low42.4Very low115 Ų115141.6 Ų141.675%0.74780%0.798SS**PPolyproline II helixtrans-75.7144-177.829.6-33.5000112.6
339P41.8Very low42.1Very low118 Ų118143.3 Ų143.377%0.76680%0.796SS**  trans-98.2115.2-178.334.7-26.6000111
340T42.2Very low42.1Very low143 Ų143140.9 Ų140.988%0.87780%0.797SS**  trans178.293.3150.310.90000110.8
341V44.8Very low42.4Very low151 Ų151147.4 Ų147.492%0.91581%0.805SS**  trans-150130.2135.6-1720000107.3
342A39.5Very low42.6Very low83 Ų83145.7 Ų145.769%0.68681%0.809SS**  trans-77.2164.8-174.400000113.7
343M39Very low42.9Very low183 Ų183143.8 Ų143.890%0.90181%0.811SS**  trans83.4129.3153.1-73-176.8156.100119.9
344L42.7Very low43Very low153 Ų153141.4 Ų141.480%0.80181%0.81SS**  trans92.182.6144.6-132.677.3000118.2
345H40.4Very low43Very low182 Ų182142.1 Ų142.184%0.84382%0.818SS**  -179.3121.6106.8-115.3150.3000110.3
346A41.7Very low43Very low86 Ų86139.1 Ų139.171%0.71181%0.81SS**  trans-79.5164.9169.500000111
347Y42.8Very low43.1Very low221 Ų221141.3 Ų141.387%0.86782%0.817SS**  trans88104.2147.7-122.342.7000117.9
348A43.9Very low43.1Very low78 Ų78136.6 Ų136.665%0.64580%0.801SS**  167.6108.3126.900000114.1
349H48.2Very low42.7Very low173 Ų173140.8 Ų140.880%0.80181%0.808SS**  trans78107.1134.4-49.3-47.5000122.4
350S42.7Very low42.9Very low112 Ų112140.3 Ų140.378%0.78381%0.807SS**  trans-80.1140.5159.749.60000114.3
351R47Very low42.7Very low244 Ų244142.8 Ų142.892%0.92181%0.809SS**  trans165.9139.4132.9-101.1-178.7174-151.1-1.1113.2
352P42.3Very low42.5Very low135 Ų135139.5 Ų139.588%0.87781%0.805SS**  trans-121.1150.7150.834.9-22.1000112.3
353G47.2Very low42.7Very low81 Ų81144.6 Ų144.684%0.83581%0.812SS**  trans-158.8129.7-179.900000114
354T42.3Very low42.8Very low136 Ų136142.4 Ų142.483%0.83480%0.804SS**  trans-71161.8-177.4-56.10000115.1
355L41.9Very low42.9Very low176 Ų176141.1 Ų141.192%0.92180%0.803SS**  trans134.8135.6154.5-72.8165.4000109.1
356G41.2Very low43Very low62 Ų62137.7 Ų137.764%0.63981%0.806SS**  cis156.8140.23.900000107.8
357N41Very low43Very low172 Ų172137.5 Ų137.592%0.9281%0.812SS**  trans58.9154.9161.6-72.311.3000118.9
358A43.9Very low43.2Very low65 Ų65133.5 Ų133.554%0.53781%0.811SS.*  cis-177.9168.1-12.600000106.5
359F40.6Very low43.4Very low202 Ų202135.4 Ų135.489%0.88682%0.819SS**  trans74.8144.7167.1-60.1-84.3000117.2
360S45.6Very low43.5Very low108 Ų108138.8 Ų138.876%0.75583%0.825SS**  cis-168.3160-8.549.20000108.2
361E37.3Very low43.9Very low196 Ų196141.4 Ų141.492%0.91683%0.829SS**  trans-54152.9-178.5-67.7165.9112.700117.1
362G40.8Very low44.3Very low81 Ų81134 Ų13484%0.83582%0.815SS**  trans-162.7105.216300000111.9
363K44.1Very low44.7Very low190 Ų190132.7 Ų132.783%0.82682%0.815SS**  trans-71.2143.6173.8-70167.6170.7165.90111.5
364N41.8Very low45.2Very low138 Ų138133.6 Ų133.674%0.73881%0.809SS**  160.5114.9120-83.5-19.1000114.2
365T44Very low45.8Very low126 Ų126133.6 Ų133.677%0.77380%0.804SS**  44.7130.1130650000123.5
366A43.7Very low46.6Very low110 Ų110132.5 Ų132.591%0.90980%0.797SS**  trans87.4120.114200000119.1
367G39.9Very low47.2Very low81 Ų81137.6 Ų137.684%0.83581%0.809SS**  trans162.581.6168.100000113.4
368V47.4Very low47.2Very low138 Ų138133.4 Ų133.484%0.83681%0.807SS**  trans-67.9129.8171.7179.20000109.4
369S47.6Very low47.3Very low117 Ų117135 Ų13582%0.81882%0.82SS**  trans-155.3133.6153.8-81.40000111.5
370R50.7Low47.7Very low244 Ų244130.7 Ų130.792%0.92182%0.815SS**PPolyproline II helixtrans-71.6138.8-170.9-67.6167.1160.1135.9-6.3111.1
371L51.7Low47.7Very low167 Ų167131.8 Ų131.887%0.87481%0.812SS**PPolyproline II helixtrans-96.3121.3162.1-63.8175000108.5
372S55.4Low48.2Very low89 Ų89129.7 Ų129.762%0.62280%0.802SS**PPolyproline II helixtrans-89.2150.4171.648.70000110.9S374S372-S374 PolarHBondContact O-N 3.03Å
373A50.6Low48.7Very low108 Ų108131.7 Ų131.789%0.89379%0.793SS**THydrogen-bonded Turntrans-73.336.5-164.600000116.8
374S58.3Low48.7Very low100 Ų100129.7 Ų129.770%0.69979%0.791SS**THydrogen-bonded Turntrans-107.3-6.2-174.7-45.80000114.7S372S372-S374 PolarHBondContact O-N 3.03Å
375D54.7Low48.6Very low135 Ų135128.6 Ų128.672%0.72280%0.795SS**SBendtrans-10212-165.4-65.6-24.1000115.4
376I57.9Low48.8Very low154 Ų154129.1 Ų129.179%0.7980%0.797SS**SBendtrans-105.6-5.1-168.4-69.6179.3000115.3
377L53.6Low48.6Very low169 Ų169129.3 Ų129.389%0.88579%0.792SS**  trans-137.498.8179-71.8169.9000112.5
378G42.3Very low48.6Very low84 Ų84129 Ų12987%0.86679%0.789SS**  trans-85.1130.1163.800000111.3
379A45.6Very low48.5Very low99 Ų99126.8 Ų126.882%0.81879%0.785SS**  trans-162112.314500000109.4
380S49.7Very low48.1Very low111 Ų111128.2 Ų128.278%0.77678%0.783SS**  trans-40162.4156.614.80000113.3
381N44.8Very low47.8Very low130 Ų130125.9 Ų125.970%0.69578%0.783SS**  cis-167.3149.522.2-12417.9000108.3
382E48.1Very low47.2Very low152 Ų152125.3 Ų125.371%0.7178%0.781SS**  37.4145.5127.4-61.8-162.2140.300121.2
383L50.9Low46.6Very low123 Ų123126.4 Ų126.464%0.64479%0.789SS**  cis-171.4153.63.9-104.9160.5000107.4
384D44.3Very low46Very low148 Ų148124.5 Ų124.579%0.79178%0.779SS**  trans63.1118146-64.6-16.6000124.5
385S38.9Very low45.5Very low116 Ų116128.1 Ų128.181%0.81179%0.79SS**  trans-104.8128.5169.448.40000111.2
386V48.2Very low44.8Very low136 Ų136129 Ų12982%0.82480%0.795SS**  trans-131.8130164.4174.50000110.8
387S40.9Very low44.1Very low115 Ų115130.5 Ų130.580%0.80480%0.8SS**  trans-18.1151.5168.859.30000121.8
388G39.8Very low43.4Very low74 Ų74125.7 Ų125.776%0.76379%0.791SS**  trans146.892.4132.400000118.4
389A43.9Very low43.5Very low91 Ų91129 Ų12975%0.75279%0.788SS**  trans44.7125.8137.500000123.3
390N40Very low43.7Very low148 Ų148131 Ų13179%0.79179%0.79SS**  trans52.3112.5132.4-64.5-22.4000119.9
391Q45.1Very low43.5Very low194 Ų194133.5 Ų133.591%0.90779%0.79SS**  175.3150.6101.4-98.2174.333.200112.8
392D37.9Very low43.8Very low155 Ų155130.4 Ų130.483%0.82978%0.782SS**  trans-51.9136.8175.7-160.69.1000114.7
393S43.8Very low43.9Very low113 Ų113131.1 Ų131.179%0.7979%0.79SS**  trans168125142.441.50000109.7
394G37.3Very low43.8Very low67 Ų67134.5 Ų134.569%0.69180%0.796SS**  trans-63.9162.2174.700000112.4
395L47.4Very low44.6Very low176 Ų176133.3 Ų133.392%0.92180%0.797SS**  trans178.7130.2136.9-92170000109.1
396D41.2Very low45.4Very low155 Ų155137.4 Ų137.483%0.82980%0.8SS**  trans79.1114144.5-14821.7000120.9G398D396-G398 PolarHBondContact O-N 3.33Å
397M43.3Very low46Very low185 Ų185140.8 Ų140.891%0.91180%0.803SS**  trans-82.394.9173.9-81.5-85.3-86.700109.4L399M397-L399 PolarHBondContact O-N 2.59Å
398G38.7Very low47Very low67 Ų67143.7 Ų143.769%0.69180%0.801SS**  trans-75.3107.7168.700000112.1D396 V400D396-G398 PolarHBondContact O-N 3.33Å; G398-V400 PolarHBondContact O-N 2.98Å
399L43Very low48.1Very low153 Ų153150.1 Ų150.180%0.80181%0.808SS**  trans-50.1116.3170.7-164.688.2000112.1M397M397-L399 PolarHBondContact O-N 2.59Å
400V49.8Very low48.6Very low142 Ų142155.4 Ų155.486%0.86181%0.81SS**  trans-102104.6163.9-178.40000108.1G398 A402G398-V400 PolarHBondContact O-N 2.98Å; V400-A402 PolarHBondContact O-N 3.14Å
401E46.5Very low49.4Very low164 Ų164152.5 Ų152.577%0.76681%0.807SS**  trans-73.4115.4-177.3-155.3165.9-161.300110.2N403E401-N403 PolarHBondContact O-N 3.28Å
402A51Low50.1Low64 Ų64153.1 Ų153.153%0.52981%0.807SS.*  trans-71.2122.8175.700000110.3V400 Y404V400-A402 PolarHBondContact O-N 3.14Å; A402-Y404 HydrophobicContact CB-CE2 4.1Å; A402-Y404 WeakPolarHBondContact O-CD2 3.48Å; A402-Y404 PolarHBondContact O-N 2.79Å
403N50Low50.8Low167 Ų167154.1 Ų154.189%0.89381%0.806SS**  trans-63.498.3172.7-94.7-72.1000110.7E401E401-N403 PolarHBondContact O-N 3.28Å
404Y49Very low51.5Low194 Ų194153.1 Ų153.176%0.76181%0.805SS**PPolyproline II helixtrans-83.6139.4164.8-64.7-84.4000110.3A402 K406A402-Y404 HydrophobicContact CB-CE2 4.1Å; A402-Y404 WeakPolarHBondContact O-CD2 3.48Å; A402-Y404 PolarHBondContact O-N 2.79Å; Y404-K406 PolarHBondContact O-N 2.91Å
405P61.2Low51.7Low124 Ų124161.5 Ų161.581%0.80582%0.816SS**PPolyproline II helixtrans-65.3123-179.224.9-31.8000111.2K407P405-K407 PolarHBondContact O-N 3.11Å
406K56.4Low52.4Low202 Ų202159.4 Ų159.488%0.87881%0.813SS**PPolyproline II helixtrans-64.1125.3178.3-68.8176.1180173.30110.6Y404 K408Y404-K406 PolarHBondContact O-N 2.91Å; K406-K408 PolarHBondContact O-N 3.34Å
407K59.1Low53Low206 Ų206155 Ų15590%0.89680%0.804SS**  trans-57.2114.6171.3-67.4179.8177.9176.80110P405 K409P405-K407 PolarHBondContact O-N 3.11Å; K407-K409 PolarHBondContact O-N 3.49Å
408K63.1Low53.5Low176 Ų176156.1 Ų156.177%0.76580%0.804SS**  trans-71.6116.2166.9-75.5-179.9176.51750108.7K406 Y410K406-K408 PolarHBondContact O-N 3.34Å; K408-Y410 HydrophobicContact CB-CE2 4.5Å; K408-Y410 PolarHBondContact O-N 3.28Å
409K63.7Low54.3Low209 Ų209164.2 Ų164.291%0.90981%0.813SS**  trans-71.4111163.4-82.6-179.6173.51780107.6K407K407-K409 PolarHBondContact O-N 3.49Å
410Y52.6Low55.2Low202 Ų202162.5 Ų162.579%0.79281%0.811SS**  trans-75.8135.7163.8-79.7-86.2000109.2K408 K412K408-Y410 HydrophobicContact CB-CE2 4.5Å; K408-Y410 PolarHBondContact O-N 3.28Å; Y410-K412 PolarHBondContact O-N 2.77Å
411A58.1Low55.6Low87 Ų87159.2 Ų159.272%0.71981%0.806SS**  trans-61.8132.2171.200000108.8E413A411-E413 VanDerWaalsContact C-N 3.26Å; A411-E413 PolarHBondContact O-N 3.27Å
412K58.6Low56.2Low207 Ų207161.3 Ų161.390%0.981%0.813SS**  trans-72.986.4171.7-166.9173.5-174.21750106.9Y410 A414Y410-K412 PolarHBondContact O-N 2.77Å; K412-A414 PolarHBondContact O-N 3.14Å; K412-A414 VanDerWaalsContact O-N 3.14Å
413E53.5Low56.4Low176 Ų176166.5 Ų166.582%0.82283%0.831SS**  trans-63.1114.4170.8-76.9-174.4161.400108.4A411 W415A411-E413 VanDerWaalsContact C-N 3.26Å; A411-E413 PolarHBondContact O-N 3.27Å; E413-W415 PolarHBondContact O-N 3.2Å
414A57.2Low57.2Low92 Ų92164.8 Ų164.876%0.7683%0.827SS**  trans-70.511917500000108.4K412K412-A414 PolarHBondContact O-N 3.14Å; K412-A414 VanDerWaalsContact O-N 3.14Å
415W42.5Very low57.5Low243 Ų243158.1 Ų158.192%0.9282%0.817SS**  trans-54.1130.3168.1-8081.4000110E413 G417E413-W415 PolarHBondContact O-N 3.2Å; W415-G417 PolarHBondContact O-N 3.46Å
416P61.6Low57.8Low132 Ų132158.6 Ų158.686%0.85782%0.82SS**  trans-77.975.3174.931.5-32.2000109.7
417G53.3Low57.8Low62 Ų62155.9 Ų155.964%0.63982%0.82SS**  trans-87.7114.4166.800000110W415 R419W415-G417 PolarHBondContact O-N 3.46Å; G417-R419 PolarHBondContact O-N 3.21Å
418K54.4Low57.4Low210 Ų210154.5 Ų154.591%0.91385%0.847SS**  trans-45.3124.1172.9-90.4177174.1177.30110.7
419R56.3Low57.1Low236 Ų236153.4 Ų153.489%0.89185%0.851SS**PPolyproline II helixtrans-63.6132165.2-63-172.8-162.6-150.24.7108.6G417 G421G417-R419 PolarHBondContact O-N 3.21Å; R419-G421 PolarHBondContact O-N 3.04Å
420P61.2Low56.7Low117 Ų117150.5 Ų150.576%0.7685%0.848SS**PPolyproline II helixtrans-61.6125.8162.7-13.527000108.2F422P420-F422 PolarHBondContact O-N 2.87Å
421G57.9Low57Low73 Ų73147.6 Ų147.675%0.75385%0.851SS**PPolyproline II helixtrans-66.4128.8175.700000110.4R419 L423R419-G421 PolarHBondContact O-N 3.04Å; G421-L423 PolarHBondContact O-N 3.46Å
422F60.3Low56.9Low208 Ų208151.2 Ų151.291%0.91286%0.859SS**  trans-65.5110.4164.9-86.1-95.4000108.2P420 V424P420-F422 PolarHBondContact O-N 2.87Å; F422-V424 PolarHBondContact O-N 2.86Å
423L55.2Low56.8Low174 Ų174147.7 Ų147.791%0.91186%0.857SS**  trans-78.6111168.4-158.778.2000107.7G421 G425G421-L423 PolarHBondContact O-N 3.46Å; L423-G425 PolarHBondContact O-N 2.69Å
424V66.6Low57Low131 Ų131145.8 Ų145.879%0.79486%0.859SS**PPolyproline II helixtrans-65.8121.3169.31740000107.7F422F422-V424 PolarHBondContact O-N 2.86Å
425G55.3Low57Low54 Ų54149.6 Ų149.656%0.55787%0.866SS**PPolyproline II helixtrans-67.3145.6172.900000111.2L423 T427L423-G425 PolarHBondContact O-N 2.69Å; G425-T427 PolarHBondContact O-N 3.12Å
426P66.6Low58.1Low134 Ų134142.5 Ų142.587%0.8786%0.862SS**PPolyproline II helixtrans-70.5131.5177.127.8-30.8000110.5
427T56.7Low57.8Low144 Ų144143.3 Ų143.388%0.88386%0.862SS**PPolyproline II helixtrans-70118.5165.246.30000110.2G425G425-T427 PolarHBondContact O-N 3.12Å
428A49.9Very low58.2Low177 Ų177150.7 Ų150.7100%1.46388%0.882SS**  trans-159.60148.200000108.7

Retrieved 428 of 428 residues in 64.6 ms (Link to these results)

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