A0A3Q0KFM8_SCHMA Loading...

WD repeat-containing protein SL1-17 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KFM8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 300 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
1Y91.9Very high95.5Very high58 Ų5863.3 Ų63.323%0.22732%0.315CS..  0124.20-63.4-68.7000109.3I254 K263 H264 F266 Q298 C299 A300Y1-I254 HydrophobicContact CD1-CD1 3.33Å; Y1-I254 HydrophobicContact CE1-CD1 3.16Å; Y1-I254 HydrophobicContact CE2-CD1 4.46Å; Y1-I254 HydrophobicContact CG-CD1 4.1Å; Y1-K263 HydrophobicContact CE2-CD 3.8Å; Y1-K263 HydrophobicContact CE2-CG 3.99Å; Y1-K263 WeakPolarHBondContact OH-CD 3.06Å; Y1-K263 WeakPolarHBondContact OH-CE 3.43Å; Y1-K263 PolarHBondContact OH-NZ 3.01Å; Y1-H264 VanDerWaalsContact CB-CD2 3.43Å; Y1-H264 WeakPolarHBondContact CB-CD2 3.4Å; Y1-H264 HydrophobicContact CD2-CB 3.78Å; Y1-H264 AromaticContact CD2-CG 3.93Å; Y1-H264 HydrophobicContact CE2-CB 4.3Å; Y1-H264 HydrophobicContact CG-CB 4.07Å; Y1-H264 AromaticContact CG-CG 3.94Å; Y1-F266 HydrophobicContact CD1-CZ 4.3Å; Y1-F266 HydrophobicContact CG-CZ 4.41Å; Y1-Q298 WeakPolarHBondContact CA-O 3.17Å; Y1-C299 HydrophobicContact CD1-CB 4.35Å; Y1-C299 HydrophobicContact CE1-CB 3.84Å; Y1-A300 HydrophobicContact CD1-CB 4.5Å; Y1-A300 HydrophobicContact CD2-CB 3.81Å; Y1-A300 HydrophobicContact CE1-CB 4.35Å; Y1-A300 HydrophobicContact CE2-CB 3.66Å; Y1-A300 HydrophobicContact CG-CB 4.23Å
2S94.4Very high95.6Very high62 Ų6271.2 Ų71.243%0.43435%0.346SS..EExtended strand (participates in β ladder)trans-158153.7178.453.80000110.8K4 Y297 Q298S2-K4 PolarHBondContact O-N 2.71Å; S2-Y297 CarbonylContact O-C 3.55Å; S2-Y297 VanDerWaalsContact O-CA 3.31Å; S2-Y297 WeakPolarHBondContact O-CA 3.45Å; S2-Q298 PolarHBondContact N-O 2.89Å; S2-Q298 PolarHBondContact O-N 3.41Å
3T94Very high95.8Very high58 Ų5873.7 Ų73.736%0.35636%0.357SS..EExtended strand (participates in β ladder)trans-72.9126.4172-49.80000110I6 T268 Y297T3-I6 HydrophobicContact CG2-CD1 3.94Å; T3-I6 HydrophobicContact CG2-CG1 3.66Å; T3-T268 HydrophobicContact CG2-CG2 4.46Å; T3-Y297 HydrophobicContact CG2-CD1 4.24Å; T3-Y297 HydrophobicContact CG2-CE1 4.24Å
4K93.8Very high95.9Very high66 Ų6668.9 Ų68.929%0.28734%0.336SS..EExtended strand (participates in β ladder)trans-106.6-41.3-173.1-161.1-174.1-160.9-173.20112.6S2 W45 S48 N284 I296 Q298S2-K4 PolarHBondContact O-N 2.71Å; K4-W45 HydrophobicContact CD-CH2 4.32Å; K4-W45 HydrophobicContact CD-CZ2 4.02Å; K4-S48 WeakPolarHBondContact CE-OG 3.48Å; K4-S48 PolarHBondContact NZ-OG 3.13Å; K4-S48 VanDerWaalsContact NZ-OG 3.09Å; K4-N284 PolarHBondContact NZ-OD1 3.16Å; K4-I296 WeakPolarHBondContact CA-O 3.36Å; K4-I296 WeakPolarHBondContact CB-O 3.43Å; K4-I296 PolarHBondContact N-O 3.17Å; K4-Q298 HydrophobicContact CB-CB 4.48Å; K4-Q298 HydrophobicContact CD-CB 4.33Å; K4-Q298 VanDerWaalsContact CE-OE1 3.32Å
5C95.5Very high96.1Very high11 Ų1164.3 Ų64.37%0.07431%0.314CS..EExtended strand (participates in β ladder)trans-144.9141.8179.2-1770000109.4W45 I296C5-W45 HydrophobicContact CB-CH2 3.81Å; C5-W45 HydrophobicContact CB-CZ3 3.85Å; C5-I296 HydrophobicContact CB-CB 4.06Å; C5-I296 HydrophobicContact CB-CG1 4.25Å; C5-I296 PolarHBondContact N-O 3.13Å; C5-I296 VanDerWaalsContact N-O 3.14Å; C5-I296 PolarHBondContact O-N 2.81Å
6I96.7Very high96.3Very high76 Ų7664.5 Ų64.539%0.3931%0.31SS..EExtended strand (participates in β ladder)trans-129.7112.9170.9-55.8176.1000106.9T3 K8 T268T3-I6 HydrophobicContact CG2-CD1 3.94Å; T3-I6 HydrophobicContact CG2-CG1 3.66Å; I6-K8 HydrophobicContact CG2-CG 3.82Å; I6-T268 HydrophobicContact CD1-CG2 4.05Å
7Q97.3Very high96.4Very high67 Ų6761.3 Ų61.331%0.31330%0.296SS..EExtended strand (participates in β ladder)trans-9897169.9-177.86158.200108.2A10 W43 L50 S293 I294Q7-A10 HydrophobicContact CG-CB 4.02Å; Q7-W43 HydrophobicContact CG-CH2 4.21Å; Q7-W43 HydrophobicContact CG-CZ3 4.14Å; Q7-L50 HydrophobicContact CB-CD1 3.86Å; Q7-S293 VanDerWaalsContact O-CA 3.29Å; Q7-S293 WeakPolarHBondContact O-CA 3.15Å; Q7-I294 HydrophobicContact CB-CB 4.19Å; Q7-I294 PolarHBondContact N-O 3.09Å; Q7-I294 PolarHBondContact O-N 2.61Å
8K95.8Very high96.5Very high126 Ų12658.1 Ų58.155%0.54828%0.28SS..THydrogen-bonded Turntrans-74.5151.6175.2-63.9-161.6174.9-1530110.6I6 A10 E270I6-K8 HydrophobicContact CG2-CG 3.82Å; K8-A10 PolarHBondContact O-N 3.23Å; K8-E270 IonicContact NZ-OE1 3.56Å
9Q95.2Very high96.6Very high152 Ų15255.8 Ų55.871%0.7127%0.271SS*.THydrogen-bonded Turntrans50.143.2177.5-61.1179.6-14.800112.2H11 R292Q9-H11 PolarHBondContact O-N 3.07Å; Q9-R292 WeakPolarHBondContact CA-O 3.2Å; Q9-R292 PolarHBondContact N-O 3.37Å
10A97.1Very high96.7Very high10 Ų1053.8 Ų53.88%0.08326%0.26CS..SBendtrans-65.6-29.1177.900000111.4Q7 K8 I15 I41 W43 R292 I294Q7-A10 HydrophobicContact CG-CB 4.02Å; K8-A10 PolarHBondContact O-N 3.23Å; A10-I15 HydrophobicContact CB-CD1 4.03Å; A10-I41 WeakPolarHBondContact O-CD1 3.41Å; A10-W43 HydrophobicContact CB-CH2 3.98Å; A10-W43 HydrophobicContact CB-CZ2 3.81Å; A10-R292 PolarHBondContact N-O 3.38Å; A10-I294 HydrophobicContact CB-CD1 3.67Å; A10-I294 HydrophobicContact CB-CG1 3.72Å
11H98.2Very high96.7Very high10 Ų1051.7 Ų51.75%0.04625%0.253CS..SBendtrans-131.5167.9173.5-76.4-100.3000110.7Q9 E13 I15 T33 S35 D37 G39Q9-H11 PolarHBondContact O-N 3.07Å; H11-E13 WeakPolarHBondContact CB-O 3.48Å; H11-I15 HydrophobicContact CB-CD1 4.49Å; H11-I15 HydrophobicContact CB-CG1 3.99Å; H11-T33 PolarHBondContact NE2-O 2.65Å; H11-T33 PolarHBondContact NE2-OG1 2.85Å; H11-S35 VanDerWaalsContact CG-CB 3.47Å; H11-S35 WeakPolarHBondContact ND1-CB 3.5Å; H11-D37 WeakPolarHBondContact CB-OD2 3.44Å; H11-D37 IonicContact CG-OD2 3.47Å; H11-D37 IonicContact ND1-OD1 3.5Å; H11-D37 PolarHBondContact ND1-OD1 3.28Å; H11-D37 IonicContact ND1-OD2 3.85Å; H11-G39 PolarHBondContact CE1-O 2.74Å
12K97.3Very high96.9Very high158 Ų15850.5 Ų50.569%0.68725%0.249SC*.SBendtrans-78.5-33177.9-65.1177.1-177.3171.90112.3D37 R292K12-D37 HydrophobicContact CB-CB 4.09Å; K12-D37 WeakPolarHBondContact CB-OD2 3.5Å; K12-D37 PolarHBondContact N-OD2 3.37Å; K12-R292 WeakPolarHBondContact O-CD 3.22Å; K12-R292 PolarHBondContact O-NH1 3.27Å; K12-R292 VanDerWaalsContact O-NH1 3.11Å
13E98Very high97.1Very high104 Ų10448 Ų4849%0.48623%0.231SC..SBendtrans-121.2177.5176.9-61.8-63.8158.200110.9H11 S35 L36 D37 R292H11-E13 WeakPolarHBondContact CB-O 3.48Å; E13-S35 PolarHBondContact O-OG 2.77Å; E13-S35 VanDerWaalsContact O-OG 3.08Å; E13-L36 HydrophobicContact CB-CB 4.14Å; E13-D37 HydrophobicContact CB-CB 3.86Å; E13-D37 HydrophobicContact CG-CB 3.87Å; E13-R292 WeakPolarHBondContact O-CG 3.48Å
14G98Very high97Very high6 Ų654.5 Ų54.56%0.06225%0.249CC..  trans-54.7143.1-178.700000113.7S35 L36G14-S35 WeakPolarHBondContact O-CA 3.29Å; G14-S35 WeakPolarHBondContact O-CB 3.32Å; G14-S35 PolarHBondContact O-OG 3.23Å; G14-L36 PolarHBondContact O-N 3.47Å
15I98.7Very high97Very high0 Ų059 Ų590%028%0.276CS..EExtended strand (participates in β ladder)trans-98.1119-179.9-51.2171000108A10 H11 T33 G34 V288 G289 I294A10-I15 HydrophobicContact CB-CD1 4.03Å; H11-I15 HydrophobicContact CB-CD1 4.49Å; H11-I15 HydrophobicContact CB-CG1 3.99Å; I15-T33 HydrophobicContact CG2-CG2 4.37Å; I15-G34 WeakPolarHBondContact CG2-O 3.34Å; I15-V288 HydrophobicContact CB-CB 3.84Å; I15-V288 HydrophobicContact CB-CG2 4.19Å; I15-V288 HydrophobicContact CD1-CB 4.38Å; I15-V288 HydrophobicContact CD1-CG1 4.48Å; I15-V288 HydrophobicContact CG2-CB 3.58Å; I15-V288 HydrophobicContact CG2-CG1 3.99Å; I15-V288 HydrophobicContact CG2-CG2 3.64Å; I15-G289 PolarHBondContact N-O 2.94Å; I15-I294 HydrophobicContact CD1-CG1 3.99Å
16W98.1Very high96.8Very high68 Ų6865.7 Ų65.726%0.25830%0.3SS..EExtended strand (participates in β ladder)trans-100.8-28.3-170.6-76.412.9000113.4G34 L36 I64 W274W16-G34 PolarHBondContact N-O 2.84Å; W16-L36 HydrophobicContact CH2-CD1 3.93Å; W16-L36 HydrophobicContact CZ2-CD1 3.9Å; W16-L36 HydrophobicContact CZ2-CD2 3.98Å; W16-L36 HydrophobicContact CZ2-CG 4.39Å; W16-L36 HydrophobicContact CZ3-CD1 4.41Å; W16-I64 HydrophobicContact CE3-CG2 3.97Å; W16-I64 HydrophobicContact CZ3-CG2 4.1Å; W16-W274 AromaticContact CD1-CD1 3.73Å; W16-W274 AromaticContact CD1-NE1 3.94Å; W16-W274 AromaticContact NE1-NE1 3.89Å; W16-W274 WeakPolarHBondContact O-CB 3.2Å
17C98.3Very high96.6Very high10 Ų1069.3 Ų69.37%0.06832%0.32CS..EExtended strand (participates in β ladder)trans-139.4147.3-179.160.20000111.4T33 G34 V66C17-T33 WeakPolarHBondContact O-CA 3.41Å; C17-G34 PolarHBondContact N-O 3.32Å; C17-G34 PolarHBondContact O-N 3.13Å; C17-V66 HydrophobicContact CB-CG1 4.08Å
18C98.6Very high96.4Very high3 Ų368.8 Ų68.82%0.0232%0.317CS..EExtended strand (participates in β ladder)trans-145.3157.5168.668.80000111.2I32 T33 C275 I286 V288C18-I32 CarbonylContact C-O 3.52Å; C18-I32 WeakPolarHBondContact CA-O 3.33Å; C18-I32 WeakPolarHBondContact CB-O 3.4Å; C18-T33 HydrophobicContact CB-CG2 4.04Å; C18-C275 PolarHBondContact O-SG 2.93Å; C18-I286 HydrophobicContact CB-CD1 4.17Å; C18-V288 HydrophobicContact CB-CG1 3.92Å; C18-V288 HydrophobicContact CB-CG2 3.86Å
19T98.5Very high96.5Very high16 Ų1664 Ų6410%0.09830%0.296CS..EExtended strand (participates in β ladder)trans-142.1154.6171.6-174.80000109.5I31 I32 V66 I68T19-I31 WeakPolarHBondContact O-CA 3.41Å; T19-I32 HydrophobicContact CG2-CB 4.09Å; T19-I32 PolarHBondContact N-O 3.33Å; T19-I32 PolarHBondContact O-N 3.19Å; T19-V66 HydrophobicContact CG2-CB 4.47Å; T19-V66 HydrophobicContact CG2-CG1 3.93Å; T19-V66 HydrophobicContact CG2-CG2 3.94Å; T19-I68 HydrophobicContact CG2-CB 4.44Å; T19-I68 HydrophobicContact CG2-CD1 3.71Å; T19-I68 HydrophobicContact CG2-CG1 3.63Å
20W98.2Very high96.5Very high15 Ų1556.9 Ų56.96%0.05726%0.263CS..EExtended strand (participates in β ladder)trans-131.8110.6180-165.1-22.1000109.3Y30 I31 W45 P280 N284 I286 I296W20-Y30 CarbonylContact C-O 3.53Å; W20-Y30 WeakPolarHBondContact CA-O 3.38Å; W20-I31 HydrophobicContact CB-CG1 4.13Å; W20-I31 HydrophobicContact CD2-CD1 3.75Å; W20-I31 HydrophobicContact CD2-CG1 3.64Å; W20-I31 HydrophobicContact CE3-CD1 3.96Å; W20-I31 HydrophobicContact CE3-CG1 4.18Å; W20-I31 HydrophobicContact CG-CD1 4.27Å; W20-I31 HydrophobicContact CG-CG1 3.62Å; W20-I31 HydrophobicContact CH2-CD1 4.11Å; W20-I31 HydrophobicContact CZ2-CD1 3.96Å; W20-I31 HydrophobicContact CZ3-CD1 4.13Å; W20-W45 HydrophobicContact CH2-CD2 4.26Å; W20-W45 HydrophobicContact CH2-CG 4.29Å; W20-W45 AromaticContact CH2-NE1 4Å; W20-W45 HydrophobicContact CZ2-CB 4.14Å; W20-W45 AromaticContact CZ2-CD1 3.45Å; W20-W45 VanDerWaalsContact CZ2-CD1 3.45Å; W20-W45 HydrophobicContact CZ2-CD2 4.07Å; W20-W45 AromaticContact CZ2-CG 3.62Å; W20-W45 HydrophobicContact CZ2-CG 3.62Å; W20-W45 AromaticContact CZ2-NE1 3.64Å; W20-P280 VanDerWaalsContact CD1-CD 3.47Å; W20-P280 WeakPolarHBondContact O-CG 3.12Å; W20-N284 HydrophobicContact CH2-CB 3.56Å; W20-N284 HydrophobicContact CZ2-CB 4.48Å; W20-N284 HydrophobicContact CZ3-CB 3.86Å; W20-I286 HydrophobicContact CB-CG2 4.44Å; W20-I286 HydrophobicContact CE3-CB 3.71Å; W20-I286 HydrophobicContact CE3-CG2 3.72Å; W20-I286 HydrophobicContact CZ3-CB 3.93Å; W20-I286 HydrophobicContact CZ3-CG2 4.42Å; W20-I296 HydrophobicContact CH2-CD1 4.09Å; W20-I296 HydrophobicContact CH2-CG2 3.83Å; W20-I296 HydrophobicContact CZ3-CD1 3.74Å; W20-I296 HydrophobicContact CZ3-CG2 4.05Å
21G97.3Very high96.6Very high10 Ų1056.4 Ų56.410%0.10326%0.259CS..EExtended strand (participates in β ladder)trans-117.9170.4179.700000112.4Q29 Y30G21-Q29 WeakPolarHBondContact O-CA 3.37Å; G21-Y30 PolarHBondContact N-O 2.75Å; G21-Y30 PolarHBondContact O-N 3.41Å
22E96.5Very high96.6Very high33 Ų3355.9 Ų55.915%0.15426%0.256CS..EExtended strand (participates in β ladder)trans-134.2143.8173.165.1177.3-171.800111.2R24 K28 Q29 G72 P280E22-R24 HydrophobicContact CG-CG 4.2Å; E22-R24 IonicContact OE1-CZ 3.2Å; E22-R24 VanDerWaalsContact OE1-CZ 3.29Å; E22-R24 IonicContact OE1-NE 3.29Å; E22-R24 PolarHBondContact OE1-NE 2.64Å; E22-R24 IonicContact OE1-NH2 2.82Å; E22-R24 PolarHBondContact OE1-NH2 2.82Å; E22-K28 CarbonylContact C-O 3.57Å; E22-K28 WeakPolarHBondContact CA-O 3.49Å; E22-Q29 HydrophobicContact CB-CG 4.14Å; E22-G72 WeakPolarHBondContact O-CA 3.17Å; E22-P280 HydrophobicContact CB-CB 4.34Å; E22-P280 HydrophobicContact CB-CG 4.12Å; E22-P280 HydrophobicContact CG-CB 3.83Å; E22-P280 HydrophobicContact CG-CG 4.06Å
23N96.9Very high96.7Very high8 Ų848.4 Ų48.44%0.04322%0.224CC..EExtended strand (participates in β ladder)trans-106.399.3165.5-172.9-43000108.2N25 R26 N27 K28 Y30 G72N23-N25 VanDerWaalsContact C-N 3.3Å; N23-N25 PolarHBondContact O-N 2.55Å; N23-N25 PolarHBondContact OD1-N 3.05Å; N23-R26 HydrophobicContact CB-CB 4.27Å; N23-R26 CarbonylContact O-C 3.58Å; N23-R26 PolarHBondContact O-N 2.96Å; N23-R26 PolarHBondContact OD1-N 3.46Å; N23-R26 VanDerWaalsContact OD1-N 3.07Å; N23-N27 PolarHBondContact O-N 3.09Å; N23-K28 PolarHBondContact N-O 3.37Å; N23-K28 PolarHBondContact O-N 2.96Å; N23-K28 VanDerWaalsContact O-N 3.13Å; N23-Y30 HydrophobicContact CB-CD2 4.47Å; N23-Y30 HydrophobicContact CB-CE2 3.76Å; N23-G72 WeakPolarHBondContact CB-O 3.49Å; N23-G72 PolarHBondContact ND2-O 2.91Å
24R92.9Very high96.7Very high196 Ų19643.4 Ų43.474%0.7420%0.201SC*.G310 helixtrans-62.1-36.6-177.1-66.1-177.5177.8174.82.6112.7E22 R26 N27E22-R24 HydrophobicContact CG-CG 4.2Å; E22-R24 IonicContact OE1-CZ 3.2Å; E22-R24 VanDerWaalsContact OE1-CZ 3.29Å; E22-R24 IonicContact OE1-NE 3.29Å; E22-R24 PolarHBondContact OE1-NE 2.64Å; E22-R24 IonicContact OE1-NH2 2.82Å; E22-R24 PolarHBondContact OE1-NH2 2.82Å; R24-R26 PolarHBondContact O-N 2.85Å; R24-N27 PolarHBondContact O-N 3.41Å
25N93.4Very high96.7Very high160 Ų16043.1 Ų43.186%0.85620%0.198SC*.G310 helixtrans-66.4-28.5179.9-66.8-21.7000112.3N23N23-N25 VanDerWaalsContact C-N 3.3Å; N23-N25 PolarHBondContact O-N 2.55Å; N23-N25 PolarHBondContact OD1-N 3.05Å
26R92.1Very high96.7Very high151 Ų15146.3 Ų46.357%0.5721%0.214SC*.G310 helixtrans-99.9-6177.4-64.3-62.2-161-167-2.6113.6N23 R24 K28 E90N23-R26 HydrophobicContact CB-CB 4.27Å; N23-R26 CarbonylContact O-C 3.58Å; N23-R26 PolarHBondContact O-N 2.96Å; N23-R26 PolarHBondContact OD1-N 3.46Å; N23-R26 VanDerWaalsContact OD1-N 3.07Å; R24-R26 PolarHBondContact O-N 2.85Å; R26-K28 HydrophobicContact CB-CB 4.27Å; R26-K28 HydrophobicContact CB-CD 4.2Å; R26-K28 HydrophobicContact CB-CG 4.05Å; R26-K28 PolarHBondContact O-N 2.97Å; R26-E90 IonicContact CZ-OE2 3.18Å; R26-E90 IonicContact NE-OE2 3.27Å; R26-E90 PolarHBondContact NE-OE2 3.26Å; R26-E90 IonicContact NH2-OE2 3.04Å
27N92Very high96.6Very high152 Ų15244.9 Ų44.981%0.81321%0.212SC*.THydrogen-bonded Turntrans49.743.4-169.6-168.240.3000112.2N23 R24N23-N27 PolarHBondContact O-N 3.09Å; R24-N27 PolarHBondContact O-N 3.41Å
28K94.1Very high96.6Very high57 Ų5747.3 Ų47.325%0.24822%0.224CC..EExtended strand (participates in β ladder)trans-115.3143.6179.8-75.4-174.9174.3178.40110.7E22 N23 R26 Y30 E44E22-K28 CarbonylContact C-O 3.57Å; E22-K28 WeakPolarHBondContact CA-O 3.49Å; N23-K28 PolarHBondContact N-O 3.37Å; N23-K28 PolarHBondContact O-N 2.96Å; N23-K28 VanDerWaalsContact O-N 3.13Å; R26-K28 HydrophobicContact CB-CB 4.27Å; R26-K28 HydrophobicContact CB-CD 4.2Å; R26-K28 HydrophobicContact CB-CG 4.05Å; R26-K28 PolarHBondContact O-N 2.97Å; K28-Y30 HydrophobicContact CB-CE2 3.8Å; K28-Y30 VanDerWaalsContact CD-OH 3.32Å; K28-Y30 WeakPolarHBondContact CD-OH 3.19Å; K28-E44 WeakPolarHBondContact CE-OE1 3.44Å
29Q96.4Very high96.4Very high25 Ų2547.5 Ų47.512%0.11723%0.226CC..EExtended strand (participates in β ladder)trans-114.5130.3169.5-69.2-171.76.700109.5G21 E22 E44 W45G21-Q29 WeakPolarHBondContact O-CA 3.37Å; E22-Q29 HydrophobicContact CB-CG 4.14Å; Q29-E44 WeakPolarHBondContact O-CA 3.28Å; Q29-W45 HydrophobicContact CB-CB 4.13Å; Q29-W45 PolarHBondContact O-N 3.19Å; Q29-W45 VanDerWaalsContact OE1-CD1 3.3Å
30Y97Very high96.4Very high2 Ų246.8 Ų46.81%0.00822%0.222CC..EExtended strand (participates in β ladder)trans-112.2133.1-179-61.3-83.7000109W20 G21 N23 K28 W43 L53 L89W20-Y30 CarbonylContact C-O 3.53Å; W20-Y30 WeakPolarHBondContact CA-O 3.38Å; G21-Y30 PolarHBondContact N-O 2.75Å; G21-Y30 PolarHBondContact O-N 3.41Å; N23-Y30 HydrophobicContact CB-CD2 4.47Å; N23-Y30 HydrophobicContact CB-CE2 3.76Å; K28-Y30 HydrophobicContact CB-CE2 3.8Å; K28-Y30 VanDerWaalsContact CD-OH 3.32Å; K28-Y30 WeakPolarHBondContact CD-OH 3.19Å; Y30-W43 WeakPolarHBondContact CA-O 3.38Å; Y30-L53 HydrophobicContact CD1-CD1 3.86Å; Y30-L53 HydrophobicContact CE1-CD1 3.67Å; Y30-L89 HydrophobicContact CE1-CB 4.38Å
31I98.3Very high96.4Very high0 Ų046.7 Ų46.70%022%0.222CC..EExtended strand (participates in β ladder)trans-112.3136.7163.9-75.7161.1000106.4T19 W20 T33 W43 W45 L50 I286 I296T19-I31 WeakPolarHBondContact O-CA 3.41Å; W20-I31 HydrophobicContact CB-CG1 4.13Å; W20-I31 HydrophobicContact CD2-CD1 3.75Å; W20-I31 HydrophobicContact CD2-CG1 3.64Å; W20-I31 HydrophobicContact CE3-CD1 3.96Å; W20-I31 HydrophobicContact CE3-CG1 4.18Å; W20-I31 HydrophobicContact CG-CD1 4.27Å; W20-I31 HydrophobicContact CG-CG1 3.62Å; W20-I31 HydrophobicContact CH2-CD1 4.11Å; W20-I31 HydrophobicContact CZ2-CD1 3.96Å; W20-I31 HydrophobicContact CZ3-CD1 4.13Å; I31-T33 HydrophobicContact CG2-CG2 4.13Å; I31-W43 HydrophobicContact CB-CB 4.21Å; I31-W43 PolarHBondContact N-O 3.46Å; I31-W43 PolarHBondContact O-N 3.39Å; I31-W45 HydrophobicContact CD1-CB 4.1Å; I31-L50 HydrophobicContact CB-CD2 4.43Å; I31-L50 HydrophobicContact CD1-CD2 3.57Å; I31-I286 HydrophobicContact CB-CD1 4.32Å; I31-I286 HydrophobicContact CD1-CD1 4.05Å; I31-I286 HydrophobicContact CG1-CD1 4.11Å; I31-I286 HydrophobicContact CG2-CD1 3.29Å; I31-I296 HydrophobicContact CD1-CD1 3.89Å
32I98.6Very high96.5Very high0 Ų046.2 Ų46.20%022%0.217CC..EExtended strand (participates in β ladder)trans-123.5136171.9-53.8171.8000108.5C18 T19 L40 I41 A42 F56 V66 I68 A75 L89C18-I32 CarbonylContact C-O 3.52Å; C18-I32 WeakPolarHBondContact CA-O 3.33Å; C18-I32 WeakPolarHBondContact CB-O 3.4Å; T19-I32 HydrophobicContact CG2-CB 4.09Å; T19-I32 PolarHBondContact N-O 3.33Å; T19-I32 PolarHBondContact O-N 3.19Å; I32-L40 HydrophobicContact CG2-CD1 3.41Å; I32-L40 VanDerWaalsContact CG2-CD1 3.41Å; I32-L40 HydrophobicContact CG2-CD2 4.36Å; I32-L40 HydrophobicContact CG2-CG 3.71Å; I32-I41 VanDerWaalsContact CA-O 3.28Å; I32-I41 WeakPolarHBondContact CA-O 3.45Å; I32-I41 WeakPolarHBondContact CG2-O 3.39Å; I32-A42 HydrophobicContact CG1-CB 4.35Å; I32-F56 HydrophobicContact CG2-CE2 4.37Å; I32-V66 HydrophobicContact CB-CG2 3.98Å; I32-V66 HydrophobicContact CD1-CG2 4.48Å; I32-V66 HydrophobicContact CG2-CG2 3.66Å; I32-I68 HydrophobicContact CD1-CD1 3.77Å; I32-I68 HydrophobicContact CD1-CG1 3.56Å; I32-I68 HydrophobicContact CG1-CD1 3.97Å; I32-I68 HydrophobicContact CG1-CG1 4.3Å; I32-A75 HydrophobicContact CD1-CB 3.23Å; I32-L89 HydrophobicContact CD1-CD2 3.58Å; I32-L89 HydrophobicContact CG1-CD2 4.35Å
33T98.8Very high96.6Very high0 Ų045.3 Ų45.30%021%0.212CC..EExtended strand (participates in β ladder)trans-123.3131.6178.654.80000110.4H11 I15 C17 C18 I31 L40 I41 W43 V288 I294H11-T33 PolarHBondContact NE2-O 2.65Å; H11-T33 PolarHBondContact NE2-OG1 2.85Å; I15-T33 HydrophobicContact CG2-CG2 4.37Å; C17-T33 WeakPolarHBondContact O-CA 3.41Å; C18-T33 HydrophobicContact CB-CG2 4.04Å; I31-T33 HydrophobicContact CG2-CG2 4.13Å; T33-L40 WeakPolarHBondContact O-CA 3.48Å; T33-I41 PolarHBondContact N-O 3.14Å; T33-I41 PolarHBondContact O-N 3.48Å; T33-W43 PolarHBondContact OG1-NE1 3.12Å; T33-V288 HydrophobicContact CG2-CG1 4.04Å; T33-I294 HydrophobicContact CG2-CD1 3.6Å; T33-I294 HydrophobicContact CG2-CG1 3.97Å
34G98.5Very high96.6Very high0 Ų046.3 Ų46.30%022%0.217CC..EExtended strand (participates in β ladder)trans-113.7137175.200000110.8I15 W16 C17 G39I15-G34 WeakPolarHBondContact CG2-O 3.34Å; W16-G34 PolarHBondContact N-O 2.84Å; C17-G34 PolarHBondContact N-O 3.32Å; C17-G34 PolarHBondContact O-N 3.13Å; G34-G39 WeakPolarHBondContact CA-O 3.47Å
35S98.4Very high96.8Very high0 Ų038 Ų380%019%0.186CC..EExtended strand (participates in β ladder)trans-130.3161-172.7172.20000112.5H11 E13 G14 D37 N38 G39 G62 V63H11-S35 VanDerWaalsContact CG-CB 3.47Å; H11-S35 WeakPolarHBondContact ND1-CB 3.5Å; E13-S35 PolarHBondContact O-OG 2.77Å; E13-S35 VanDerWaalsContact O-OG 3.08Å; G14-S35 WeakPolarHBondContact O-CA 3.29Å; G14-S35 WeakPolarHBondContact O-CB 3.32Å; G14-S35 PolarHBondContact O-OG 3.23Å; S35-D37 VanDerWaalsContact CB-OD1 3.22Å; S35-D37 WeakPolarHBondContact CB-OD1 3.47Å; S35-D37 PolarHBondContact O-N 2.83Å; S35-D37 PolarHBondContact OG-N 3.43Å; S35-D37 PolarHBondContact OG-OD1 2.92Å; S35-N38 PolarHBondContact O-N 3Å; S35-G39 PolarHBondContact N-O 3.43Å; S35-G62 WeakPolarHBondContact O-CA 3.44Å; S35-V63 PolarHBondContact O-N 3.46Å
36L97Very high96.8Very high67 Ų6733.1 Ų33.135%0.35116%0.162SC..THydrogen-bonded Turntrans-62.8-16.3170-167.362.4000113E13 G14 W16 N38 L80E13-L36 HydrophobicContact CB-CB 4.14Å; G14-L36 PolarHBondContact O-N 3.47Å; W16-L36 HydrophobicContact CH2-CD1 3.93Å; W16-L36 HydrophobicContact CZ2-CD1 3.9Å; W16-L36 HydrophobicContact CZ2-CD2 3.98Å; W16-L36 HydrophobicContact CZ2-CG 4.39Å; W16-L36 HydrophobicContact CZ3-CD1 4.41Å; L36-N38 PolarHBondContact O-N 2.95Å; L36-N38 VanDerWaalsContact O-N 3.14Å; L36-N38 PolarHBondContact O-OD1 3.22Å; L36-L80 HydrophobicContact CD1-CD1 4.27Å
37D97.3Very high96.6Very high38 Ų3833 Ų3320%0.20317%0.172CC..THydrogen-bonded Turntrans-75.811.5173.572.82.4000114.3H11 K12 E13 S35 G39H11-D37 WeakPolarHBondContact CB-OD2 3.44Å; H11-D37 IonicContact CG-OD2 3.47Å; H11-D37 IonicContact ND1-OD1 3.5Å; H11-D37 PolarHBondContact ND1-OD1 3.28Å; H11-D37 IonicContact ND1-OD2 3.85Å; K12-D37 HydrophobicContact CB-CB 4.09Å; K12-D37 WeakPolarHBondContact CB-OD2 3.5Å; K12-D37 PolarHBondContact N-OD2 3.37Å; E13-D37 HydrophobicContact CB-CB 3.86Å; E13-D37 HydrophobicContact CG-CB 3.87Å; S35-D37 VanDerWaalsContact CB-OD1 3.22Å; S35-D37 WeakPolarHBondContact CB-OD1 3.47Å; S35-D37 PolarHBondContact O-N 2.83Å; S35-D37 PolarHBondContact OG-N 3.43Å; S35-D37 PolarHBondContact OG-OD1 2.92Å; D37-G39 PolarHBondContact O-N 2.91Å; D37-G39 WeakPolarHBondContact OD1-CA 3.38Å; D37-G39 PolarHBondContact OD1-N 2.93Å
38N97.2Very high96.6Very high61 Ų6127.6 Ų27.633%0.32615%0.147SC..SBendtrans69.4-3.4-173.7-40.2-24.7000113.8S35 L36 R60 L61 G62S35-N38 PolarHBondContact O-N 3Å; L36-N38 PolarHBondContact O-N 2.95Å; L36-N38 VanDerWaalsContact O-N 3.14Å; L36-N38 PolarHBondContact O-OD1 3.22Å; N38-R60 PolarHBondContact ND2-O 3.33Å; N38-L61 WeakPolarHBondContact CA-O 3.1Å; N38-L61 WeakPolarHBondContact OD1-CA 3.48Å; N38-L61 PolarHBondContact OD1-O 2.88Å; N38-G62 PolarHBondContact OD1-N 3.35Å; N38-G62 VanDerWaalsContact OD1-N 3.12Å
39G96.3Very high96.6Very high6 Ų630.4 Ų30.46%0.06216%0.161CC..  trans-76.6136.7-176.700000112.1H11 G34 S35 D37H11-G39 PolarHBondContact CE1-O 2.74Å; G34-G39 WeakPolarHBondContact CA-O 3.47Å; S35-G39 PolarHBondContact N-O 3.43Å; D37-G39 PolarHBondContact O-N 2.91Å; D37-G39 WeakPolarHBondContact OD1-CA 3.38Å; D37-G39 PolarHBondContact OD1-N 2.93Å
40L98.1Very high96.7Very high1 Ų130 Ų301%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-119.6120.7163.5-173.772.4000107.4I32 T33 F56 V63 V66 W87I32-L40 HydrophobicContact CG2-CD1 3.41Å; I32-L40 VanDerWaalsContact CG2-CD1 3.41Å; I32-L40 HydrophobicContact CG2-CD2 4.36Å; I32-L40 HydrophobicContact CG2-CG 3.71Å; T33-L40 WeakPolarHBondContact O-CA 3.48Å; L40-F56 HydrophobicContact CB-CB 4.18Å; L40-F56 HydrophobicContact CB-CD2 4.02Å; L40-F56 HydrophobicContact CD2-CB 4.28Å; L40-F56 HydrophobicContact CD2-CD2 3.6Å; L40-F56 HydrophobicContact CD2-CE2 4.17Å; L40-F56 HydrophobicContact CD2-CG 4.16Å; L40-F56 HydrophobicContact CG-CD2 3.62Å; L40-F56 HydrophobicContact CG-CE2 4.24Å; L40-F56 HydrophobicContact CG-CG 4.48Å; L40-F56 WeakPolarHBondContact O-CD2 2.92Å; L40-F56 PolarHBondContact O-N 2.81Å; L40-V63 HydrophobicContact CB-CG2 4.43Å; L40-V63 HydrophobicContact CD1-CG1 4.15Å; L40-V66 HydrophobicContact CD1-CB 4.25Å; L40-V66 HydrophobicContact CD1-CG2 3.9Å; L40-W87 HydrophobicContact CD2-CD2 4.41Å; L40-W87 HydrophobicContact CD2-CG 4.41Å; L40-W87 HydrophobicContact CD2-CZ2 4.15Å; L40-W87 VanDerWaalsContact CD2-NE1 3.33Å
41I98.5Very high96.6Very high13 Ų1335.8 Ų35.87%0.06718%0.184CC..EExtended strand (participates in β ladder)trans-120.8128.6-176.1-57.9176.1000109.4A10 I32 T33 W43 Y54 Q55A10-I41 WeakPolarHBondContact O-CD1 3.41Å; I32-I41 VanDerWaalsContact CA-O 3.28Å; I32-I41 WeakPolarHBondContact CA-O 3.45Å; I32-I41 WeakPolarHBondContact CG2-O 3.39Å; T33-I41 PolarHBondContact N-O 3.14Å; T33-I41 PolarHBondContact O-N 3.48Å; I41-W43 HydrophobicContact CB-CZ2 4.02Å; I41-W43 HydrophobicContact CD1-CZ2 4Å; I41-W43 HydrophobicContact CG2-CD2 3.96Å; I41-W43 HydrophobicContact CG2-CG 4.4Å; I41-W43 HydrophobicContact CG2-CH2 4.2Å; I41-W43 HydrophobicContact CG2-CZ2 3.5Å; I41-W43 PolarHBondContact O-NE1 2.66Å; I41-Y54 WeakPolarHBondContact CA-O 3.47Å; I41-Y54 WeakPolarHBondContact CG2-O 3.47Å; I41-Q55 HydrophobicContact CG1-CB 4.47Å; I41-Q55 HydrophobicContact CG1-CG 4.24Å
42A98.3Very high96.6Very high0 Ų039 Ų390%021%0.206CC..EExtended strand (participates in β ladder)trans-92.7130.8168.300000110.4I32 L53 Y54 F56I32-A42 HydrophobicContact CG1-CB 4.35Å; A42-L53 PolarHBondContact O-N 3.22Å; A42-Y54 HydrophobicContact CB-CD2 4.05Å; A42-Y54 PolarHBondContact N-O 3.42Å; A42-Y54 PolarHBondContact O-N 3.46Å; A42-F56 HydrophobicContact CB-CE2 3.58Å; A42-F56 HydrophobicContact CB-CZ 3.76Å
43W98.3Very high96.5Very high14 Ų1440.9 Ų40.95%0.05322%0.216CC..EExtended strand (participates in β ladder)trans-118.5138.6177.4-46.381.7000109.2Q7 A10 Y30 I31 T33 I41 L50 K51 C52 I294Q7-W43 HydrophobicContact CG-CH2 4.21Å; Q7-W43 HydrophobicContact CG-CZ3 4.14Å; A10-W43 HydrophobicContact CB-CH2 3.98Å; A10-W43 HydrophobicContact CB-CZ2 3.81Å; Y30-W43 WeakPolarHBondContact CA-O 3.38Å; I31-W43 HydrophobicContact CB-CB 4.21Å; I31-W43 PolarHBondContact N-O 3.46Å; I31-W43 PolarHBondContact O-N 3.39Å; T33-W43 PolarHBondContact OG1-NE1 3.12Å; I41-W43 HydrophobicContact CB-CZ2 4.02Å; I41-W43 HydrophobicContact CD1-CZ2 4Å; I41-W43 HydrophobicContact CG2-CD2 3.96Å; I41-W43 HydrophobicContact CG2-CG 4.4Å; I41-W43 HydrophobicContact CG2-CH2 4.2Å; I41-W43 HydrophobicContact CG2-CZ2 3.5Å; I41-W43 PolarHBondContact O-NE1 2.66Å; W43-L50 HydrophobicContact CB-CD2 3.79Å; W43-L50 HydrophobicContact CE3-CB 4.13Å; W43-L50 HydrophobicContact CG-CD2 4.36Å; W43-K51 CarbonylContact C-O 3.58Å; W43-K51 VanDerWaalsContact CA-O 3.3Å; W43-K51 WeakPolarHBondContact CA-O 3.14Å; W43-C52 HydrophobicContact CE3-CB 3.94Å; W43-C52 HydrophobicContact CZ3-CB 3.83Å; W43-I294 HydrophobicContact CD2-CD1 4.1Å; W43-I294 VanDerWaalsContact CE2-CD1 3.49Å; W43-I294 HydrophobicContact CG-CD1 4.49Å; W43-I294 HydrophobicContact CH2-CD1 4.46Å; W43-I294 HydrophobicContact CZ2-CD1 3.72Å
44E97Very high96.3Very high30 Ų3044 Ų4414%0.1423%0.228CC..EExtended strand (participates in β ladder)trans-88.2126.4164.9-169.3168.1-145.400108.6K28 Q29 T46 K51 L53K28-E44 WeakPolarHBondContact CE-OE1 3.44Å; Q29-E44 WeakPolarHBondContact O-CA 3.28Å; E44-T46 HydrophobicContact CG-CG2 4.4Å; E44-K51 HydrophobicContact CB-CB 4.42Å; E44-K51 PolarHBondContact N-O 3.44Å; E44-K51 PolarHBondContact O-N 2.82Å; E44-L53 HydrophobicContact CB-CD1 3.82Å; E44-L53 HydrophobicContact CB-CD2 3.87Å; E44-L53 HydrophobicContact CB-CG 3.76Å
45W96.8Very high96.2Very high21 Ų2150 Ų508%0.0826%0.256CS..EExtended strand (participates in β ladder)trans-93.2109.9169.5-180-106.2000109.9K4 C5 W20 Q29 I31 S48 Q49 L50 I296K4-W45 HydrophobicContact CD-CH2 4.32Å; K4-W45 HydrophobicContact CD-CZ2 4.02Å; C5-W45 HydrophobicContact CB-CH2 3.81Å; C5-W45 HydrophobicContact CB-CZ3 3.85Å; W20-W45 HydrophobicContact CH2-CD2 4.26Å; W20-W45 HydrophobicContact CH2-CG 4.29Å; W20-W45 AromaticContact CH2-NE1 4Å; W20-W45 HydrophobicContact CZ2-CB 4.14Å; W20-W45 AromaticContact CZ2-CD1 3.45Å; W20-W45 VanDerWaalsContact CZ2-CD1 3.45Å; W20-W45 HydrophobicContact CZ2-CD2 4.07Å; W20-W45 AromaticContact CZ2-CG 3.62Å; W20-W45 HydrophobicContact CZ2-CG 3.62Å; W20-W45 AromaticContact CZ2-NE1 3.64Å; Q29-W45 HydrophobicContact CB-CB 4.13Å; Q29-W45 PolarHBondContact O-N 3.19Å; Q29-W45 VanDerWaalsContact OE1-CD1 3.3Å; I31-W45 HydrophobicContact CD1-CB 4.1Å; W45-S48 WeakPolarHBondContact CH2-O 3.25Å; W45-S48 VanDerWaalsContact CZ2-CA 3.5Å; W45-S48 VanDerWaalsContact CZ3-C 3.48Å; W45-Q49 VanDerWaalsContact CE3-C 3.49Å; W45-Q49 VanDerWaalsContact CE3-O 3.29Å; W45-L50 HydrophobicContact CE3-CD2 3.76Å; W45-L50 HydrophobicContact CE3-CG 3.84Å; W45-L50 HydrophobicContact CZ3-CD2 4.41Å; W45-L50 HydrophobicContact CZ3-CG 4.04Å; W45-I296 HydrophobicContact CE3-CG1 4.33Å; W45-I296 HydrophobicContact CH2-CB 3.84Å; W45-I296 HydrophobicContact CH2-CG1 3.94Å; W45-I296 HydrophobicContact CH2-CG2 3.58Å; W45-I296 HydrophobicContact CZ2-CB 4.46Å; W45-I296 HydrophobicContact CZ2-CG2 3.69Å; W45-I296 HydrophobicContact CZ3-CB 4.19Å; W45-I296 HydrophobicContact CZ3-CG1 3.75Å; W45-I296 HydrophobicContact CZ3-CG2 4.24Å
46T93.1Very high96.1Very high58 Ų5850.4 Ų50.436%0.35626%0.258SS..EExtended strand (participates in β ladder)trans-146140.7179.7-174.40000110.5E44 S48 Q49E44-T46 HydrophobicContact CG-CG2 4.4Å; T46-S48 PolarHBondContact O-N 2.95Å; T46-S48 VanDerWaalsContact O-N 3.1Å; T46-Q49 PolarHBondContact N-O 2.9Å; T46-Q49 VanDerWaalsContact N-O 3.07Å; T46-Q49 PolarHBondContact O-N 2.72Å; T46-Q49 VanDerWaalsContact O-O 3.09Å
47N89.7Confident96Very high147 Ų14755.4 Ų55.479%0.78628%0.279SS*.THydrogen-bonded Turntrans5137.5178.8-59.7-36.8000114.2Q49N47-Q49 PolarHBondContact O-N 3.31Å
48S91.9Very high95.7Very high40 Ų4055.6 Ų55.628%0.2829%0.29SS..THydrogen-bonded Turntrans61.925.4-177.3-46.70000114.9K4 W45 T46K4-S48 WeakPolarHBondContact CE-OG 3.48Å; K4-S48 PolarHBondContact NZ-OG 3.13Å; K4-S48 VanDerWaalsContact NZ-OG 3.09Å; W45-S48 WeakPolarHBondContact CH2-O 3.25Å; W45-S48 VanDerWaalsContact CZ2-CA 3.5Å; W45-S48 VanDerWaalsContact CZ3-C 3.48Å; T46-S48 PolarHBondContact O-N 2.95Å; T46-S48 VanDerWaalsContact O-N 3.1Å
49Q94.2Very high95.7Very high116 Ų11653.5 Ų53.554%0.54228%0.279SS..EExtended strand (participates in β ladder)trans-129.5149.9177.4-61.2-60.9-43.400110.1W45 T46 N47W45-Q49 VanDerWaalsContact CE3-C 3.49Å; W45-Q49 VanDerWaalsContact CE3-O 3.29Å; T46-Q49 PolarHBondContact N-O 2.9Å; T46-Q49 VanDerWaalsContact N-O 3.07Å; T46-Q49 PolarHBondContact O-N 2.72Å; T46-Q49 VanDerWaalsContact O-O 3.09Å; N47-Q49 PolarHBondContact O-N 3.31Å
50L96.8Very high95.6Very high17 Ų1763.1 Ų63.19%0.08931%0.313CS..EExtended strand (participates in β ladder)trans-91.3130.7169.2-71.3167.4000109.1Q7 I31 W43 W45 I294 I296Q7-L50 HydrophobicContact CB-CD1 3.86Å; I31-L50 HydrophobicContact CB-CD2 4.43Å; I31-L50 HydrophobicContact CD1-CD2 3.57Å; W43-L50 HydrophobicContact CB-CD2 3.79Å; W43-L50 HydrophobicContact CE3-CB 4.13Å; W43-L50 HydrophobicContact CG-CD2 4.36Å; W45-L50 HydrophobicContact CE3-CD2 3.76Å; W45-L50 HydrophobicContact CE3-CG 3.84Å; W45-L50 HydrophobicContact CZ3-CD2 4.41Å; W45-L50 HydrophobicContact CZ3-CG 4.04Å; L50-I294 HydrophobicContact CD1-CB 4.04Å; L50-I294 HydrophobicContact CD1-CD1 4.2Å; L50-I294 HydrophobicContact CD1-CG2 3.77Å; L50-I296 HydrophobicContact CD1-CG1 4.38Å
51K96.5Very high95.5Very high122 Ų12267.2 Ų67.253%0.5334%0.335SS..EExtended strand (participates in β ladder)trans-119.2119.7170.4179-173.1172.3-165.70108.7W43 E44 L53W43-K51 CarbonylContact C-O 3.58Å; W43-K51 VanDerWaalsContact CA-O 3.3Å; W43-K51 WeakPolarHBondContact CA-O 3.14Å; E44-K51 HydrophobicContact CB-CB 4.42Å; E44-K51 PolarHBondContact N-O 3.44Å; E44-K51 PolarHBondContact O-N 2.82Å; K51-L53 PolarHBondContact O-N 2.84Å
52C96.9Very high95.4Very high67 Ų6766.7 Ų66.745%0.45333%0.333SS..EExtended strand (participates in β ladder)trans-60.8123.9172.2-177.80000109.4W43W43-C52 HydrophobicContact CE3-CB 3.94Å; W43-C52 HydrophobicContact CZ3-CB 3.83Å
53L96.5Very high95.3Very high41 Ų4166.7 Ų66.722%0.21533%0.333CS..EExtended strand (participates in β ladder)trans-96.2-54.8175-68.8-179.3000110.5Y30 A42 E44 K51Y30-L53 HydrophobicContact CD1-CD1 3.86Å; Y30-L53 HydrophobicContact CE1-CD1 3.67Å; A42-L53 PolarHBondContact O-N 3.22Å; E44-L53 HydrophobicContact CB-CD1 3.82Å; E44-L53 HydrophobicContact CB-CD2 3.87Å; E44-L53 HydrophobicContact CB-CG 3.76Å; K51-L53 PolarHBondContact O-N 2.84Å
54Y95Very high95.2Very high66 Ų6667 Ų6726%0.25934%0.335SS..EExtended strand (participates in β ladder)trans-142.2141.3-173.4-46.6-65.5000109.8I41 A42 E90I41-Y54 WeakPolarHBondContact CA-O 3.47Å; I41-Y54 WeakPolarHBondContact CG2-O 3.47Å; A42-Y54 HydrophobicContact CB-CD2 4.05Å; A42-Y54 PolarHBondContact N-O 3.42Å; A42-Y54 PolarHBondContact O-N 3.46Å; Y54-E90 PolarHBondContact OH-O 2.74Å
55Q96.9Very high95.2Very high125 Ų12566.3 Ų66.358%0.58433%0.333SS*.EExtended strand (participates in β ladder)trans-103.1111.6157.4-179.2172.4-800106.1I41I41-Q55 HydrophobicContact CG1-CB 4.47Å; I41-Q55 HydrophobicContact CG1-CG 4.24Å
56F96.7Very high95.3Very high9 Ų965.8 Ų65.84%0.03933%0.332CS..EExtended strand (participates in β ladder)trans-73.1132.7-179.8-58.5-76.8000109.5I32 L40 A42 W87 L89 G92I32-F56 HydrophobicContact CG2-CE2 4.37Å; L40-F56 HydrophobicContact CB-CB 4.18Å; L40-F56 HydrophobicContact CB-CD2 4.02Å; L40-F56 HydrophobicContact CD2-CB 4.28Å; L40-F56 HydrophobicContact CD2-CD2 3.6Å; L40-F56 HydrophobicContact CD2-CE2 4.17Å; L40-F56 HydrophobicContact CD2-CG 4.16Å; L40-F56 HydrophobicContact CG-CD2 3.62Å; L40-F56 HydrophobicContact CG-CE2 4.24Å; L40-F56 HydrophobicContact CG-CG 4.48Å; L40-F56 WeakPolarHBondContact O-CD2 2.92Å; L40-F56 PolarHBondContact O-N 2.81Å; A42-F56 HydrophobicContact CB-CE2 3.58Å; A42-F56 HydrophobicContact CB-CZ 3.76Å; F56-W87 HydrophobicContact CB-CD2 4.11Å; F56-W87 HydrophobicContact CB-CE3 3.8Å; F56-W87 HydrophobicContact CB-CH2 3.92Å; F56-W87 HydrophobicContact CB-CZ2 4.22Å; F56-W87 HydrophobicContact CB-CZ3 3.71Å; F56-W87 HydrophobicContact CD1-CB 4Å; F56-W87 AromaticContact CD1-CD2 3.82Å; F56-W87 HydrophobicContact CD1-CD2 3.82Å; F56-W87 AromaticContact CD1-CE3 3.55Å; F56-W87 HydrophobicContact CD1-CE3 3.55Å; F56-W87 HydrophobicContact CD1-CG 4.04Å; F56-W87 HydrophobicContact CD1-CZ3 4.26Å; F56-W87 HydrophobicContact CE1-CB 3.65Å; F56-W87 HydrophobicContact CE1-CD2 4.39Å; F56-W87 HydrophobicContact CE1-CE3 4.37Å; F56-W87 HydrophobicContact CE1-CG 4.13Å; F56-W87 HydrophobicContact CG-CD2 4Å; F56-W87 AromaticContact CG-CE3 3.92Å; F56-W87 HydrophobicContact CG-CE3 3.92Å; F56-W87 HydrophobicContact CG-CG 4.36Å; F56-W87 HydrophobicContact CG-CZ3 4.35Å; F56-W87 HydrophobicContact CZ-CB 4.09Å; F56-L89 HydrophobicContact CZ-CD2 4.04Å; F56-G92 WeakPolarHBondContact CD1-O 3.17Å
57E93.5Very high95.5Very high171 Ų17164.6 Ų64.680%0.79932%0.324SS*.  trans-107.3125.6176.6-64.1-174.1170.600109.5
58G92.7Very high95.9Very high42 Ų4258.2 Ų58.243%0.43329%0.29SS..  trans170.5-45.4174.500000114.1
59H95.4Very high96.2Very high18 Ų1856.7 Ų56.78%0.08328%0.278CS..  trans-66.7144.7178-77-55.8000112.4V63 S77 S79 D81H59-V63 HydrophobicContact CB-CG2 4.26Å; H59-S77 PolarHBondContact CD2-OG 2.91Å; H59-S77 PolarHBondContact NE2-OG 2.79Å; H59-S79 VanDerWaalsContact CE1-CB 3.44Å; H59-S79 WeakPolarHBondContact CE1-CB 3.41Å; H59-S79 WeakPolarHBondContact ND1-CB 3.42Å; H59-D81 VanDerWaalsContact CA-OD2 3.27Å; H59-D81 WeakPolarHBondContact CA-OD2 3.46Å; H59-D81 IonicContact CE1-OD1 3.7Å; H59-D81 IonicContact CG-OD2 2.58Å; H59-D81 IonicContact ND1-OD1 3.16Å; H59-D81 PolarHBondContact ND1-OD1 2.71Å; H59-D81 IonicContact ND1-OD2 3.83Å; H59-D81 PolarHBondContact ND1-OD2 2.81Å; H59-D81 VanDerWaalsContact ND1-OD2 3.1Å
60R95Very high96.3Very high207 Ų20754.8 Ų54.878%0.78128%0.278SS*.SBendtrans-110.5-13.8-176.5-58.4-179.9-170.4173.74.2113.4N38 D81N38-R60 PolarHBondContact ND2-O 3.33Å; R60-D81 HydrophobicContact CB-CB 4.25Å; R60-D81 PolarHBondContact N-OD2 2.84Å
61L95.7Very high96.3Very high88 Ų8857.1 Ų57.146%0.46129%0.293SS..SBendtrans-135.1175.1173.8-63.9177.4000109.8N38 V63 S79 L80 D81N38-L61 WeakPolarHBondContact CA-O 3.1Å; N38-L61 WeakPolarHBondContact OD1-CA 3.48Å; N38-L61 PolarHBondContact OD1-O 2.88Å; L61-V63 PolarHBondContact O-N 2.83Å; L61-S79 VanDerWaalsContact C-OG 3.23Å; L61-S79 PolarHBondContact O-OG 3.41Å; L61-L80 HydrophobicContact CB-CB 3.79Å; L61-L80 HydrophobicContact CD1-CB 4.22Å; L61-D81 HydrophobicContact CB-CB 4.02Å; L61-D81 HydrophobicContact CD1-CB 4.31Å; L61-D81 HydrophobicContact CG-CB 4.15Å
62G95.9Very high96.3Very high2 Ų251.4 Ų51.42%0.02127%0.268CS..  trans-53.3136.2-175.300000113.9S35 N38 S79 L80S35-G62 WeakPolarHBondContact O-CA 3.44Å; N38-G62 PolarHBondContact OD1-N 3.35Å; N38-G62 VanDerWaalsContact OD1-N 3.12Å; G62-S79 VanDerWaalsContact O-CA 3.27Å; G62-S79 WeakPolarHBondContact O-CA 3.29Å; G62-S79 WeakPolarHBondContact O-CB 3.39Å; G62-S79 PolarHBondContact O-OG 3.28Å; G62-L80 PolarHBondContact O-N 3.04Å
63V97.6Very high96.3Very high0 Ų050.7 Ų50.70%026%0.262CS..EExtended strand (participates in β ladder)trans-83.5126.7177-174.40000109.6S35 L40 H59 L61 S78S35-V63 PolarHBondContact O-N 3.46Å; L40-V63 HydrophobicContact CB-CG2 4.43Å; L40-V63 HydrophobicContact CD1-CG1 4.15Å; H59-V63 HydrophobicContact CB-CG2 4.26Å; L61-V63 PolarHBondContact O-N 2.83Å; V63-S78 VanDerWaalsContact CG1-O 3.3Å; V63-S78 WeakPolarHBondContact CG1-O 3.26Å
64I95.5Very high96.4Very high20 Ų2050.4 Ų50.410%0.10326%0.261CS..EExtended strand (participates in β ladder)trans-111.3-25.8-16959.5-174.1000113.5W16 S78 L80 T105 W106W16-I64 HydrophobicContact CE3-CG2 3.97Å; W16-I64 HydrophobicContact CZ3-CG2 4.1Å; I64-S78 WeakPolarHBondContact CG1-O 3.31Å; I64-S78 PolarHBondContact N-O 2.88Å; I64-L80 HydrophobicContact CD1-CD2 4.39Å; I64-L80 HydrophobicContact CG2-CD1 4.42Å; I64-L80 HydrophobicContact CG2-CD2 3.86Å; I64-L80 HydrophobicContact CG2-CG 3.71Å; I64-T105 VanDerWaalsContact CD1-O 3.29Å; I64-T105 WeakPolarHBondContact CD1-O 3.26Å; I64-W106 HydrophobicContact CD1-CD2 4.35Å; I64-W106 HydrophobicContact CD1-CE3 4.29Å
65S97.4Very high96.5Very high15 Ų1547.2 Ų47.211%0.10525%0.248CC..EExtended strand (participates in β ladder)trans-149.5143.1175.1-176.20000110.5S77 S78 I108S65-S77 CarbonylContact O-C 3.6Å; S65-S77 WeakPolarHBondContact O-CA 3.4Å; S65-S78 WeakPolarHBondContact CB-OG 3.48Å; S65-S78 PolarHBondContact N-O 2.83Å; S65-S78 PolarHBondContact O-N 3.37Å; S65-I108 PolarHBondContact OG-N 2.81Å
66V98.3Very high96.6Very high10 Ų1041.3 Ų41.36%0.06122%0.22CC..EExtended strand (participates in β ladder)trans-140.8142.4-179.562.80000108.9C17 T19 I32 L40 A76C17-V66 HydrophobicContact CB-CG1 4.08Å; T19-V66 HydrophobicContact CG2-CB 4.47Å; T19-V66 HydrophobicContact CG2-CG1 3.93Å; T19-V66 HydrophobicContact CG2-CG2 3.94Å; I32-V66 HydrophobicContact CB-CG2 3.98Å; I32-V66 HydrophobicContact CD1-CG2 4.48Å; I32-V66 HydrophobicContact CG2-CG2 3.66Å; L40-V66 HydrophobicContact CD1-CB 4.25Å; L40-V66 HydrophobicContact CD1-CG2 3.9Å; V66-A76 VanDerWaalsContact CA-O 3.32Å; V66-A76 WeakPolarHBondContact CA-O 3.41Å; V66-A76 WeakPolarHBondContact CG2-O 3.5Å
67D98.4Very high96.6Very high34 Ų3440.9 Ų40.918%0.18222%0.219CC..EExtended strand (participates in β ladder)trans-144.1156.7172.6-163.520.7000111.9A75 A76 A109 F110D67-A75 CarbonylContact O-C 3.55Å; D67-A75 VanDerWaalsContact O-CA 3.26Å; D67-A75 WeakPolarHBondContact O-CA 3.45Å; D67-A76 PolarHBondContact N-O 3.2Å; D67-A76 PolarHBondContact O-N 2.91Å; D67-A109 WeakPolarHBondContact OD2-CA 3.43Å; D67-F110 HydrophobicContact CB-CD2 4.04Å; D67-F110 PolarHBondContact OD2-N 2.93Å
68I98.4Very high96.7Very high13 Ų1332.7 Ų32.77%0.06718%0.18CC..EExtended strand (participates in β ladder)trans-116.2134.6175.7-66.9165000108.2T19 I32 L74 A75 L89T19-I68 HydrophobicContact CG2-CB 4.44Å; T19-I68 HydrophobicContact CG2-CD1 3.71Å; T19-I68 HydrophobicContact CG2-CG1 3.63Å; I32-I68 HydrophobicContact CD1-CD1 3.77Å; I32-I68 HydrophobicContact CD1-CG1 3.56Å; I32-I68 HydrophobicContact CG1-CD1 3.97Å; I32-I68 HydrophobicContact CG1-CG1 4.3Å; I68-L74 WeakPolarHBondContact CA-O 3.29Å; I68-A75 HydrophobicContact CG1-CB 4.39Å; I68-L89 HydrophobicContact CG1-CD1 4.2Å; I68-L89 HydrophobicContact CG2-CD1 3.88Å
69N97.9Very high96.8Very high7 Ų730.8 Ų30.84%0.03716%0.161CC..  trans-68.9161.8179.186.6-41.4000112T71 G72 T73 L74 F110 S114N69-T71 PolarHBondContact ND2-OG1 2.91Å; N69-T71 PolarHBondContact O-N 2.74Å; N69-T71 PolarHBondContact OD1-OG1 2.88Å; N69-G72 PolarHBondContact O-N 3.2Å; N69-G72 PolarHBondContact OD1-N 2.83Å; N69-T73 PolarHBondContact ND2-OG1 2.86Å; N69-T73 PolarHBondContact OD1-N 3.43Å; N69-T73 PolarHBondContact OD1-OG1 2.78Å; N69-L74 HydrophobicContact CB-CB 4.33Å; N69-L74 PolarHBondContact N-O 2.83Å; N69-L74 PolarHBondContact OD1-N 3.41Å; N69-L74 PolarHBondContact OD1-O 2.81Å; N69-F110 HydrophobicContact CB-CB 4.4Å; N69-F110 HydrophobicContact CB-CD1 3.91Å; N69-F110 HydrophobicContact CB-CD2 3.9Å; N69-F110 HydrophobicContact CB-CE1 4.06Å; N69-F110 HydrophobicContact CB-CE2 4.04Å; N69-F110 HydrophobicContact CB-CG 3.82Å; N69-F110 HydrophobicContact CB-CZ 4.12Å; N69-S114 WeakPolarHBondContact CB-OG 3.44Å; N69-S114 PolarHBondContact ND2-OG 3.02Å; N69-S114 VanDerWaalsContact ND2-OG 3.13Å
70S96.3Very high96.7Very high77 Ų7733.3 Ų33.354%0.53817%0.174SC..THydrogen-bonded Turntrans-62.2-18.5-171.857.80000115.3P112 S114S70-P112 WeakPolarHBondContact CB-O 3.38Å; S70-P112 PolarHBondContact OG-O 3.16Å; S70-S114 PolarHBondContact N-OG 3.21Å; S70-S114 VanDerWaalsContact N-OG 3.12Å; S70-S114 PolarHBondContact OG-OG 2.83Å
71T96.1Very high96.6Very high66 Ų6624.8 Ų24.841%0.40514%0.144SC..THydrogen-bonded Turntrans-91.2-7.6176.457.70000113.8N69 T73N69-T71 PolarHBondContact ND2-OG1 2.91Å; N69-T71 PolarHBondContact O-N 2.74Å; N69-T71 PolarHBondContact OD1-OG1 2.88Å; T71-T73 VanDerWaalsContact C-N 3.28Å; T71-T73 PolarHBondContact O-N 2.76Å; T71-T73 PolarHBondContact OG1-OG1 2.61Å
72G96.8Very high96.3Very high1 Ų122.2 Ų22.21%0.0113%0.133CC..SBendtrans63.933.1-176.600000113E22 N23 N69E22-G72 WeakPolarHBondContact O-CA 3.17Å; N23-G72 WeakPolarHBondContact CB-O 3.49Å; N23-G72 PolarHBondContact ND2-O 2.91Å; N69-G72 PolarHBondContact O-N 3.2Å; N69-G72 PolarHBondContact OD1-N 2.83Å
73T97.1Very high96.2Very high53 Ų5325.2 Ų25.233%0.32515%0.147SC..SBendtrans-112.2-27-178.754.40000112.5N69 T71 L89N69-T73 PolarHBondContact ND2-OG1 2.86Å; N69-T73 PolarHBondContact OD1-N 3.43Å; N69-T73 PolarHBondContact OD1-OG1 2.78Å; T71-T73 VanDerWaalsContact C-N 3.28Å; T71-T73 PolarHBondContact O-N 2.76Å; T71-T73 PolarHBondContact OG1-OG1 2.61Å; T73-L89 PolarHBondContact O-N 3.37Å
74L97.7Very high96.1Very high34 Ų3425.2 Ų25.218%0.17815%0.147CC..EExtended strand (participates in β ladder)trans-125.4142.2-179.9-70.3168.6000110.1I68 N69 W87 T95 F110 V131I68-L74 WeakPolarHBondContact CA-O 3.29Å; N69-L74 HydrophobicContact CB-CB 4.33Å; N69-L74 PolarHBondContact N-O 2.83Å; N69-L74 PolarHBondContact OD1-N 3.41Å; N69-L74 PolarHBondContact OD1-O 2.81Å; L74-W87 CarbonylContact C-O 3.57Å; L74-W87 VanDerWaalsContact CA-O 3.29Å; L74-W87 WeakPolarHBondContact CA-O 3.34Å; L74-W87 WeakPolarHBondContact CD2-O 3.34Å; L74-T95 HydrophobicContact CD2-CG2 4.17Å; L74-F110 HydrophobicContact CB-CZ 4.39Å; L74-V131 HydrophobicContact CD1-CG1 3.81Å
75A98.4Very high96.1Very high0 Ų024.6 Ų24.60%014%0.144CC..EExtended strand (participates in β ladder)trans-113152.6162.600000109.7I32 D67 I68 L86 W87 L89I32-A75 HydrophobicContact CD1-CB 3.23Å; D67-A75 CarbonylContact O-C 3.55Å; D67-A75 VanDerWaalsContact O-CA 3.26Å; D67-A75 WeakPolarHBondContact O-CA 3.45Å; I68-A75 HydrophobicContact CG1-CB 4.39Å; A75-L86 CarbonylContact O-C 3.55Å; A75-L86 WeakPolarHBondContact O-CA 3.39Å; A75-W87 HydrophobicContact CB-CB 4.4Å; A75-W87 PolarHBondContact N-O 2.92Å; A75-W87 PolarHBondContact O-N 3.07Å; A75-L89 HydrophobicContact CB-CD1 4.28Å; A75-L89 HydrophobicContact CB-CD2 3.98Å; A75-L89 HydrophobicContact CB-CG 4.17Å
76A98Very high96.1Very high0 Ų024 Ų240%014%0.14CC..EExtended strand (participates in β ladder)trans-123.1148.3167.100000108.8V66 D67 L85 L86 I108 F110 L117V66-A76 VanDerWaalsContact CA-O 3.32Å; V66-A76 WeakPolarHBondContact CA-O 3.41Å; V66-A76 WeakPolarHBondContact CG2-O 3.5Å; D67-A76 PolarHBondContact N-O 3.2Å; D67-A76 PolarHBondContact O-N 2.91Å; A76-L85 CarbonylContact C-O 3.47Å; A76-L85 VanDerWaalsContact CA-O 3.25Å; A76-L85 WeakPolarHBondContact CA-O 3.12Å; A76-L86 HydrophobicContact CB-CG 4.44Å; A76-I108 HydrophobicContact CB-CD1 3.67Å; A76-I108 VanDerWaalsContact O-CD1 3.26Å; A76-I108 WeakPolarHBondContact O-CD1 3.5Å; A76-F110 HydrophobicContact CB-CE2 3.54Å; A76-F110 HydrophobicContact CB-CZ 3.56Å; A76-L117 HydrophobicContact CB-CD1 3.81Å; A76-L117 HydrophobicContact CB-CD2 3.82Å
77S97.8Very high96.1Very high0 Ų023.7 Ų23.70%014%0.137CC..EExtended strand (participates in β ladder)trans-137.1147.9173.8580000110.8H59 S65 I84 L85 W87H59-S77 PolarHBondContact CD2-OG 2.91Å; H59-S77 PolarHBondContact NE2-OG 2.79Å; S65-S77 CarbonylContact O-C 3.6Å; S65-S77 WeakPolarHBondContact O-CA 3.4Å; S77-I84 CarbonylContact O-C 3.56Å; S77-I84 VanDerWaalsContact O-CA 3.27Å; S77-I84 WeakPolarHBondContact O-CA 3.41Å; S77-L85 PolarHBondContact N-O 2.82Å; S77-L85 PolarHBondContact O-N 3.23Å; S77-W87 PolarHBondContact OG-NE1 3.1Å
78S95.5Very high96Very high0 Ų024 Ų240%014%0.139CC..EExtended strand (participates in β ladder)trans-121.4149.3168.858.80000110.1V63 I64 S65 Q83V63-S78 VanDerWaalsContact CG1-O 3.3Å; V63-S78 WeakPolarHBondContact CG1-O 3.26Å; I64-S78 WeakPolarHBondContact CG1-O 3.31Å; I64-S78 PolarHBondContact N-O 2.88Å; S65-S78 WeakPolarHBondContact CB-OG 3.48Å; S65-S78 PolarHBondContact N-O 2.83Å; S65-S78 PolarHBondContact O-N 3.37Å; S78-Q83 WeakPolarHBondContact CA-O 3.48Å
79S94.8Very high96Very high2 Ų223.4 Ų23.41%0.01414%0.136CC..EExtended strand (participates in β ladder)trans-138.9160.9-175.3163.50000111.4H59 L61 G62 D81 S82 Q83H59-S79 VanDerWaalsContact CE1-CB 3.44Å; H59-S79 WeakPolarHBondContact CE1-CB 3.41Å; H59-S79 WeakPolarHBondContact ND1-CB 3.42Å; L61-S79 VanDerWaalsContact C-OG 3.23Å; L61-S79 PolarHBondContact O-OG 3.41Å; G62-S79 VanDerWaalsContact O-CA 3.27Å; G62-S79 WeakPolarHBondContact O-CA 3.29Å; G62-S79 WeakPolarHBondContact O-CB 3.39Å; G62-S79 PolarHBondContact O-OG 3.28Å; S79-D81 WeakPolarHBondContact CB-OD1 3.35Å; S79-D81 PolarHBondContact O-N 2.96Å; S79-D81 VanDerWaalsContact O-N 3.11Å; S79-D81 PolarHBondContact OG-N 2.84Å; S79-D81 VanDerWaalsContact OG-N 3.15Å; S79-D81 PolarHBondContact OG-OD1 3.46Å; S79-D81 PolarHBondContact OG-OD2 3.15Å; S79-S82 PolarHBondContact O-N 2.88Å; S79-Q83 PolarHBondContact N-O 3.41Å
80L93.2Very high95.8Very high70 Ų7026.8 Ų26.837%0.36615%0.151SC..THydrogen-bonded Turntrans-58.7-14.3170.2-64.7173.9000113.2L36 L61 G62 I64 S82L36-L80 HydrophobicContact CD1-CD1 4.27Å; L61-L80 HydrophobicContact CB-CB 3.79Å; L61-L80 HydrophobicContact CD1-CB 4.22Å; G62-L80 PolarHBondContact O-N 3.04Å; I64-L80 HydrophobicContact CD1-CD2 4.39Å; I64-L80 HydrophobicContact CG2-CD1 4.42Å; I64-L80 HydrophobicContact CG2-CD2 3.86Å; I64-L80 HydrophobicContact CG2-CG 3.71Å; L80-S82 PolarHBondContact O-N 2.84Å
81D92.3Very high95.8Very high29 Ų2926.6 Ų26.616%0.15515%0.147CC..THydrogen-bonded Turntrans-73.94.4171.365.711.7000113.3H59 R60 L61 S79 Q83H59-D81 VanDerWaalsContact CA-OD2 3.27Å; H59-D81 WeakPolarHBondContact CA-OD2 3.46Å; H59-D81 IonicContact CE1-OD1 3.7Å; H59-D81 IonicContact CG-OD2 2.58Å; H59-D81 IonicContact ND1-OD1 3.16Å; H59-D81 PolarHBondContact ND1-OD1 2.71Å; H59-D81 IonicContact ND1-OD2 3.83Å; H59-D81 PolarHBondContact ND1-OD2 2.81Å; H59-D81 VanDerWaalsContact ND1-OD2 3.1Å; R60-D81 HydrophobicContact CB-CB 4.25Å; R60-D81 PolarHBondContact N-OD2 2.84Å; L61-D81 HydrophobicContact CB-CB 4.02Å; L61-D81 HydrophobicContact CD1-CB 4.31Å; L61-D81 HydrophobicContact CG-CB 4.15Å; S79-D81 WeakPolarHBondContact CB-OD1 3.35Å; S79-D81 PolarHBondContact O-N 2.96Å; S79-D81 VanDerWaalsContact O-N 3.11Å; S79-D81 PolarHBondContact OG-N 2.84Å; S79-D81 VanDerWaalsContact OG-N 3.15Å; S79-D81 PolarHBondContact OG-OD1 3.46Å; S79-D81 PolarHBondContact OG-OD2 3.15Å; D81-Q83 VanDerWaalsContact C-N 3.27Å; D81-Q83 PolarHBondContact O-N 2.98Å; D81-Q83 WeakPolarHBondContact OD1-CB 3.39Å; D81-Q83 WeakPolarHBondContact OD1-CG 3.45Å; D81-Q83 PolarHBondContact OD1-N 2.98Å
82S89.8Confident95.8Very high33 Ų3324.2 Ų24.223%0.23114%0.136CC..THydrogen-bonded Turntrans56.342.2-174.4-56.30000110.9S79 L80 P102S79-S82 PolarHBondContact O-N 2.88Å; L80-S82 PolarHBondContact O-N 2.84Å; S82-P102 WeakPolarHBondContact O-CB 3.29Å; S82-P102 WeakPolarHBondContact O-CG 3.46Å
83Q92.9Very high95.8Very high66 Ų6633 Ų3331%0.30817%0.169SC..EExtended strand (participates in β ladder)trans-118.5144.7171.1-61-68.9-72.500110.3S78 S79 D81 L85 T97S78-Q83 WeakPolarHBondContact CA-O 3.48Å; S79-Q83 PolarHBondContact N-O 3.41Å; D81-Q83 VanDerWaalsContact C-N 3.27Å; D81-Q83 PolarHBondContact O-N 2.98Å; D81-Q83 WeakPolarHBondContact OD1-CB 3.39Å; D81-Q83 WeakPolarHBondContact OD1-CG 3.45Å; D81-Q83 PolarHBondContact OD1-N 2.98Å; Q83-L85 HydrophobicContact CB-CD2 4.3Å; Q83-L85 HydrophobicContact CB-CG 4.34Å; Q83-T97 VanDerWaalsContact OE1-CG2 3.26Å
84I95.1Very high95.8Very high0 Ų034.1 Ų34.10%017%0.172CC..EExtended strand (participates in β ladder)trans-114.2120.4164.9-61.1149.1000107.4S77 Y98 T105 I108 L117 T119 I129S77-I84 CarbonylContact O-C 3.56Å; S77-I84 VanDerWaalsContact O-CA 3.27Å; S77-I84 WeakPolarHBondContact O-CA 3.41Å; I84-Y98 HydrophobicContact CD1-CD1 3.8Å; I84-Y98 HydrophobicContact CD1-CE1 4.34Å; I84-Y98 PolarHBondContact O-N 3.3Å; I84-T105 HydrophobicContact CD1-CG2 4.07Å; I84-T105 HydrophobicContact CG1-CG2 4.23Å; I84-I108 HydrophobicContact CG1-CG2 4.46Å; I84-L117 HydrophobicContact CG2-CD2 3.63Å; I84-T119 HydrophobicContact CD1-CG2 3.79Å; I84-I129 HydrophobicContact CD1-CD1 4.01Å
85L96.3Very high95.7Very high7 Ų735.5 Ų35.54%0.03718%0.182CC..EExtended strand (participates in β ladder)trans-117.4139.4-175.4-60.2-175.2000109.7A76 S77 Q83 W87 L94 T97A76-L85 CarbonylContact C-O 3.47Å; A76-L85 VanDerWaalsContact CA-O 3.25Å; A76-L85 WeakPolarHBondContact CA-O 3.12Å; S77-L85 PolarHBondContact N-O 2.82Å; S77-L85 PolarHBondContact O-N 3.23Å; Q83-L85 HydrophobicContact CB-CD2 4.3Å; Q83-L85 HydrophobicContact CB-CG 4.34Å; L85-W87 HydrophobicContact CB-CH2 4.23Å; L85-W87 HydrophobicContact CB-CZ2 3.46Å; L85-W87 VanDerWaalsContact CB-CZ2 3.46Å; L85-W87 HydrophobicContact CD1-CH2 3.58Å; L85-W87 HydrophobicContact CD1-CZ2 3.4Å; L85-W87 HydrophobicContact CG-CZ2 4.05Å; L85-W87 PolarHBondContact O-NE1 3.24Å; L85-L94 HydrophobicContact CB-CD1 3.73Å; L85-L94 HydrophobicContact CD1-CD1 4.35Å; L85-L94 HydrophobicContact CD2-CD1 4.01Å; L85-L94 HydrophobicContact CG-CD1 4.23Å; L85-T97 HydrophobicContact CD2-CG2 3.7Å; L85-T97 VanDerWaalsContact CD2-OG1 3.28Å; L85-T97 WeakPolarHBondContact CD2-OG1 3.47Å
86L97.4Very high95.5Very high3 Ų338.8 Ų38.82%0.01620%0.196CC..EExtended strand (participates in β ladder)trans-112.4130.6175.7-67.289.7000110.2A75 A76 T95 K96 V131A75-L86 CarbonylContact O-C 3.55Å; A75-L86 WeakPolarHBondContact O-CA 3.39Å; A76-L86 HydrophobicContact CB-CG 4.44Å; L86-T95 VanDerWaalsContact C-OG1 3.31Å; L86-T95 WeakPolarHBondContact CB-OG1 3.21Å; L86-T95 PolarHBondContact O-N 2.8Å; L86-T95 PolarHBondContact O-OG1 2.95Å; L86-K96 HydrophobicContact CB-CB 4.29Å; L86-K96 HydrophobicContact CD1-CB 4.16Å; L86-K96 PolarHBondContact N-O 2.95Å; L86-K96 PolarHBondContact O-N 2.81Å; L86-V131 HydrophobicContact CD2-CG1 3.84Å
87W98.2Very high95.3Very high3 Ų340.7 Ų40.71%0.01121%0.208CC..EExtended strand (participates in β ladder)trans-121.4136.8-171.5-42.789.8000111L40 F56 L74 A75 S77 L85 R93 L94L40-W87 HydrophobicContact CD2-CD2 4.41Å; L40-W87 HydrophobicContact CD2-CG 4.41Å; L40-W87 HydrophobicContact CD2-CZ2 4.15Å; L40-W87 VanDerWaalsContact CD2-NE1 3.33Å; F56-W87 HydrophobicContact CB-CD2 4.11Å; F56-W87 HydrophobicContact CB-CE3 3.8Å; F56-W87 HydrophobicContact CB-CH2 3.92Å; F56-W87 HydrophobicContact CB-CZ2 4.22Å; F56-W87 HydrophobicContact CB-CZ3 3.71Å; F56-W87 HydrophobicContact CD1-CB 4Å; F56-W87 AromaticContact CD1-CD2 3.82Å; F56-W87 HydrophobicContact CD1-CD2 3.82Å; F56-W87 AromaticContact CD1-CE3 3.55Å; F56-W87 HydrophobicContact CD1-CE3 3.55Å; F56-W87 HydrophobicContact CD1-CG 4.04Å; F56-W87 HydrophobicContact CD1-CZ3 4.26Å; F56-W87 HydrophobicContact CE1-CB 3.65Å; F56-W87 HydrophobicContact CE1-CD2 4.39Å; F56-W87 HydrophobicContact CE1-CE3 4.37Å; F56-W87 HydrophobicContact CE1-CG 4.13Å; F56-W87 HydrophobicContact CG-CD2 4Å; F56-W87 AromaticContact CG-CE3 3.92Å; F56-W87 HydrophobicContact CG-CE3 3.92Å; F56-W87 HydrophobicContact CG-CG 4.36Å; F56-W87 HydrophobicContact CG-CZ3 4.35Å; F56-W87 HydrophobicContact CZ-CB 4.09Å; L74-W87 CarbonylContact C-O 3.57Å; L74-W87 VanDerWaalsContact CA-O 3.29Å; L74-W87 WeakPolarHBondContact CA-O 3.34Å; L74-W87 WeakPolarHBondContact CD2-O 3.34Å; A75-W87 HydrophobicContact CB-CB 4.4Å; A75-W87 PolarHBondContact N-O 2.92Å; A75-W87 PolarHBondContact O-N 3.07Å; S77-W87 PolarHBondContact OG-NE1 3.1Å; L85-W87 HydrophobicContact CB-CH2 4.23Å; L85-W87 HydrophobicContact CB-CZ2 3.46Å; L85-W87 VanDerWaalsContact CB-CZ2 3.46Å; L85-W87 HydrophobicContact CD1-CH2 3.58Å; L85-W87 HydrophobicContact CD1-CZ2 3.4Å; L85-W87 HydrophobicContact CG-CZ2 4.05Å; L85-W87 PolarHBondContact O-NE1 3.24Å; W87-R93 WeakPolarHBondContact CA-O 3.47Å; W87-L94 HydrophobicContact CD2-CD1 4.19Å; W87-L94 HydrophobicContact CE3-CB 3.89Å; W87-L94 HydrophobicContact CE3-CD1 3.86Å; W87-L94 HydrophobicContact CH2-CD1 4.07Å; W87-L94 HydrophobicContact CZ2-CD1 4.38Å; W87-L94 HydrophobicContact CZ3-CB 3.77Å; W87-L94 HydrophobicContact CZ3-CD1 3.78Å; W87-L94 HydrophobicContact CZ3-CG 4.32Å
88D97.1Very high95Very high41 Ų4141.1 Ų41.122%0.21921%0.21CC..EExtended strand (participates in β ladder)trans-82.8119.7172.2178.6-93.6000109.7E90 T91 G92 R93 T95D88-E90 VanDerWaalsContact C-N 3.31Å; D88-E90 PolarHBondContact O-N 3.16Å; D88-E90 PolarHBondContact OD1-N 2.87Å; D88-T91 VanDerWaalsContact OD1-CB 3.29Å; D88-T91 WeakPolarHBondContact OD1-CB 3.26Å; D88-T91 WeakPolarHBondContact OD1-CG2 3.28Å; D88-T91 PolarHBondContact OD1-N 2.89Å; D88-T91 PolarHBondContact OD1-OG1 2.84Å; D88-G92 VanDerWaalsContact O-CA 3.31Å; D88-G92 WeakPolarHBondContact O-CA 3.2Å; D88-G92 PolarHBondContact O-N 3.45Å; D88-R93 PolarHBondContact N-O 2.98Å; D88-T95 HydrophobicContact CB-CG2 3.49Å; D88-T95 VanDerWaalsContact CB-CG2 3.49Å
89L97Very high94.1Very high0 Ų047.8 Ų47.80%025%0.245CC..THydrogen-bonded Turntrans-79.3-11.1-175.2-70.6169.9000114Y30 I32 F56 I68 T73 A75Y30-L89 HydrophobicContact CE1-CB 4.38Å; I32-L89 HydrophobicContact CD1-CD2 3.58Å; I32-L89 HydrophobicContact CG1-CD2 4.35Å; F56-L89 HydrophobicContact CZ-CD2 4.04Å; I68-L89 HydrophobicContact CG1-CD1 4.2Å; I68-L89 HydrophobicContact CG2-CD1 3.88Å; T73-L89 PolarHBondContact O-N 3.37Å; A75-L89 HydrophobicContact CB-CD1 4.28Å; A75-L89 HydrophobicContact CB-CD2 3.98Å; A75-L89 HydrophobicContact CB-CG 4.17Å
90E94.8Very high93Very high77 Ų7748.9 Ų48.936%0.3626%0.257SS..THydrogen-bonded Turntrans-84.3-37.2175-175.471.1-133.900111.2R26 Y54 D88R26-E90 IonicContact CZ-OE2 3.18Å; R26-E90 IonicContact NE-OE2 3.27Å; R26-E90 PolarHBondContact NE-OE2 3.26Å; R26-E90 IonicContact NH2-OE2 3.04Å; Y54-E90 PolarHBondContact OH-O 2.74Å; D88-E90 VanDerWaalsContact C-N 3.31Å; D88-E90 PolarHBondContact O-N 3.16Å; D88-E90 PolarHBondContact OD1-N 2.87Å
91T95.5Very high91.8Very high73 Ų7352 Ų5245%0.44827%0.274SS..THydrogen-bonded Turntrans-106.3-15.1-174.763.50000113.6D88 R93D88-T91 VanDerWaalsContact OD1-CB 3.29Å; D88-T91 WeakPolarHBondContact OD1-CB 3.26Å; D88-T91 WeakPolarHBondContact OD1-CG2 3.28Å; D88-T91 PolarHBondContact OD1-N 2.89Å; D88-T91 PolarHBondContact OD1-OG1 2.84Å; T91-R93 VanDerWaalsContact C-N 3.25Å; T91-R93 PolarHBondContact O-N 2.91Å
92G95.5Very high90.2Very high17 Ų1751.5 Ų51.518%0.17527%0.273CS..THydrogen-bonded Turntrans72.417.1-176.400000113.6F56 D88F56-G92 WeakPolarHBondContact CD1-O 3.17Å; D88-G92 VanDerWaalsContact O-CA 3.31Å; D88-G92 WeakPolarHBondContact O-CA 3.2Å; D88-G92 PolarHBondContact O-N 3.45Å
93R97Very high88.7Confident186 Ų18651.5 Ų51.570%0.70228%0.275SS*.EExtended strand (participates in β ladder)trans-104.5147.5-171.9-65.5-176.4178.4-166.2-1.1112.2W87 D88 T91 T95W87-R93 WeakPolarHBondContact CA-O 3.47Å; D88-R93 PolarHBondContact N-O 2.98Å; T91-R93 VanDerWaalsContact C-N 3.25Å; T91-R93 PolarHBondContact O-N 2.91Å; R93-T95 PolarHBondContact O-N 2.9Å
94L97.2Very high87.7Confident75 Ų7551.9 Ų51.939%0.39328%0.279SS..EExtended strand (participates in β ladder)trans-61.7126.6166.1-176.667.1000109.3L85 W87 K96L85-L94 HydrophobicContact CB-CD1 3.73Å; L85-L94 HydrophobicContact CD1-CD1 4.35Å; L85-L94 HydrophobicContact CD2-CD1 4.01Å; L85-L94 HydrophobicContact CG-CD1 4.23Å; W87-L94 HydrophobicContact CD2-CD1 4.19Å; W87-L94 HydrophobicContact CE3-CB 3.89Å; W87-L94 HydrophobicContact CE3-CD1 3.86Å; W87-L94 HydrophobicContact CH2-CD1 4.07Å; W87-L94 HydrophobicContact CZ2-CD1 4.38Å; W87-L94 HydrophobicContact CZ3-CB 3.77Å; W87-L94 HydrophobicContact CZ3-CD1 3.78Å; W87-L94 HydrophobicContact CZ3-CG 4.32Å; L94-K96 WeakPolarHBondContact CD1-O 3.46Å
95T95.7Very high87.3Confident63 Ų6352.2 Ų52.239%0.38728%0.281SS..EExtended strand (participates in β ladder)trans-96.7-45.5177.360.80000111.4L74 L86 D88 R93L74-T95 HydrophobicContact CD2-CG2 4.17Å; L86-T95 VanDerWaalsContact C-OG1 3.31Å; L86-T95 WeakPolarHBondContact CB-OG1 3.21Å; L86-T95 PolarHBondContact O-N 2.8Å; L86-T95 PolarHBondContact O-OG1 2.95Å; D88-T95 HydrophobicContact CB-CG2 3.49Å; D88-T95 VanDerWaalsContact CB-CG2 3.49Å; R93-T95 PolarHBondContact O-N 2.9Å
96K94.3Very high87Confident69 Ų6955.2 Ų55.230%0.329%0.292SS..EExtended strand (participates in β ladder)trans-151.2146.4-171.6-68.2166.6171.7-72.60109.9L86 L94 V131 Q132 A134L86-K96 HydrophobicContact CB-CB 4.29Å; L86-K96 HydrophobicContact CD1-CB 4.16Å; L86-K96 PolarHBondContact N-O 2.95Å; L86-K96 PolarHBondContact O-N 2.81Å; L94-K96 WeakPolarHBondContact CD1-O 3.46Å; K96-V131 WeakPolarHBondContact CD-O 3.14Å; K96-V131 WeakPolarHBondContact CE-O 3.49Å; K96-Q132 WeakPolarHBondContact CE-O 3.06Å; K96-Q132 PolarHBondContact NZ-O 3.21Å; K96-A134 HydrophobicContact CB-CB 4.29Å; K96-A134 HydrophobicContact CD-CB 4.08Å; K96-A134 HydrophobicContact CG-CB 4.48Å
97T93.5Very high86.9Confident40 Ų4055.5 Ų55.525%0.24529%0.294CS..EExtended strand (participates in β ladder)trans-109.5136.6163.4-60.50000107.3Q83 L85Q83-T97 VanDerWaalsContact OE1-CG2 3.26Å; L85-T97 HydrophobicContact CD2-CG2 3.7Å; L85-T97 VanDerWaalsContact CD2-OG1 3.28Å; L85-T97 WeakPolarHBondContact CD2-OG1 3.47Å
98Y91.1Very high86.8Confident9 Ų955.7 Ų55.74%0.03530%0.295CS..EExtended strand (participates in β ladder)trans-82.2114.5169.1173.3-106.7000109.4I84 G100 P102 I129 A134 K136I84-Y98 HydrophobicContact CD1-CD1 3.8Å; I84-Y98 HydrophobicContact CD1-CE1 4.34Å; I84-Y98 PolarHBondContact O-N 3.3Å; Y98-G100 VanDerWaalsContact CE1-C 3.49Å; Y98-G100 WeakPolarHBondContact CE1-O 3.27Å; Y98-G100 VanDerWaalsContact CZ-CA 3.5Å; Y98-P102 HydrophobicContact CD1-CB 4.39Å; Y98-I129 HydrophobicContact CD1-CD1 3.86Å; Y98-I129 HydrophobicContact CD2-CD1 3.66Å; Y98-I129 HydrophobicContact CD2-CG1 4.08Å; Y98-I129 HydrophobicContact CD2-CG2 3.76Å; Y98-I129 HydrophobicContact CE1-CD1 3.88Å; Y98-I129 HydrophobicContact CE2-CD1 3.69Å; Y98-I129 HydrophobicContact CE2-CG1 3.78Å; Y98-I129 HydrophobicContact CE2-CG2 4.07Å; Y98-I129 HydrophobicContact CG-CD1 3.73Å; Y98-A134 WeakPolarHBondContact CD2-O 2.83Å; Y98-K136 HydrophobicContact CE2-CB 4.37Å
99D77.9Confident86.9Confident140 Ų14054 Ų5475%0.74929%0.287SS*.  trans-92.2-4.3-176.4-62.3-39000113.9
100G71.2Confident87Confident26 Ų2654.6 Ų54.627%0.26829%0.29SS..SBendtrans-72.7163.8176.100000110.9Y98 P102Y98-G100 VanDerWaalsContact CE1-C 3.49Å; Y98-G100 WeakPolarHBondContact CE1-O 3.27Å; Y98-G100 VanDerWaalsContact CZ-CA 3.5Å; G100-P102 WeakPolarHBondContact O-CD 3.46Å; G100-P102 WeakPolarHBondContact O-CG 3.39Å
101D67.6Low87.1Confident134 Ų13451.2 Ų51.272%0.71727%0.274SS*.  trans-55.595.3-173.1-166.3-1.6000111.6A103D101-A103 PolarHBondContact O-N 2.99Å; D101-A103 WeakPolarHBondContact OD1-CB 3.5Å; D101-A103 PolarHBondContact OD1-N 2.97Å
102P60.2Low87.2Confident20 Ų2049.9 Ų49.913%0.1327%0.267CS..  trans-88.36-172.932.9-22.8000110.2S82 Y98 G100 D104 T105S82-P102 WeakPolarHBondContact O-CB 3.29Å; S82-P102 WeakPolarHBondContact O-CG 3.46Å; Y98-P102 HydrophobicContact CD1-CB 4.39Å; G100-P102 WeakPolarHBondContact O-CD 3.46Å; G100-P102 WeakPolarHBondContact O-CG 3.39Å; P102-D104 PolarHBondContact O-N 2.82Å; P102-T105 PolarHBondContact O-N 2.99Å; P102-T105 PolarHBondContact O-OG1 3.44Å
103A57.4Low87.3Confident33 Ų3352.8 Ų52.827%0.27328%0.278SS..THydrogen-bonded Turntrans-43.4105.5-170.300000110.4D101 T105 H122D101-A103 PolarHBondContact O-N 2.99Å; D101-A103 WeakPolarHBondContact OD1-CB 3.5Å; D101-A103 PolarHBondContact OD1-N 2.97Å; A103-T105 PolarHBondContact O-N 2.92Å; A103-H122 PolarHBondContact O-CE1 2.83Å; A103-H122 PolarHBondContact O-ND1 2.88Å
104D72.4Confident87.3Confident73 Ų7344.8 Ų44.839%0.3925%0.251SS..THydrogen-bonded Turntrans57.348.1175-34.7-53.4000114.4P102 W106 S121 H122P102-D104 PolarHBondContact O-N 2.82Å; D104-W106 PolarHBondContact O-N 2.8Å; D104-S121 CarbonylContact O-C 3.4Å; D104-H122 HydrophobicContact CB-CB 3.65Å; D104-H122 WeakPolarHBondContact CB-ND1 3.28Å; D104-H122 PolarHBondContact O-N 3.03Å; D104-H122 IonicContact OD2-CD2 3.38Å; D104-H122 IonicContact OD2-CE1 3.97Å; D104-H122 PolarHBondContact OD2-CE1 3.24Å; D104-H122 IonicContact OD2-CG 3.26Å; D104-H122 IonicContact OD2-ND1 3.25Å; D104-H122 PolarHBondContact OD2-ND1 2.82Å; D104-H122 IonicContact OD2-NE2 3.77Å
105T85.6Confident87.3Confident7 Ų748.1 Ų48.14%0.04326%0.258CS..EExtended strand (participates in β ladder)trans-63.3124.3160-630000109I64 I84 P102 A103 T107 I108 G120I64-T105 VanDerWaalsContact CD1-O 3.29Å; I64-T105 WeakPolarHBondContact CD1-O 3.26Å; I84-T105 HydrophobicContact CD1-CG2 4.07Å; I84-T105 HydrophobicContact CG1-CG2 4.23Å; P102-T105 PolarHBondContact O-N 2.99Å; P102-T105 PolarHBondContact O-OG1 3.44Å; A103-T105 PolarHBondContact O-N 2.92Å; T105-T107 WeakPolarHBondContact CG2-O 3.4Å; T105-I108 HydrophobicContact CG2-CG2 4.02Å; T105-G120 CarbonylContact C-O 3.49Å; T105-G120 WeakPolarHBondContact CA-O 3.4Å
106W90.4Very high87.4Confident70 Ų7046.7 Ų46.727%0.26525%0.247SC..EExtended strand (participates in β ladder)trans-101-27.7178.4-95.185.6000113.8I64 D104 G120 F146 V147 Y148I64-W106 HydrophobicContact CD1-CD2 4.35Å; I64-W106 HydrophobicContact CD1-CE3 4.29Å; D104-W106 PolarHBondContact O-N 2.8Å; W106-G120 PolarHBondContact N-O 3.06Å; W106-F146 AromaticContact NE1-CD1 3.93Å; W106-V147 WeakPolarHBondContact CB-O 3.48Å; W106-Y148 HydrophobicContact CB-CD1 4.46Å; W106-Y148 AromaticContact CD2-CD1 3.98Å; W106-Y148 HydrophobicContact CD2-CD1 3.98Å; W106-Y148 AromaticContact CD2-CE1 3.88Å; W106-Y148 HydrophobicContact CD2-CE1 3.88Å; W106-Y148 AromaticContact CE3-CD1 3.96Å; W106-Y148 HydrophobicContact CE3-CD1 3.96Å; W106-Y148 HydrophobicContact CE3-CE1 4.02Å; W106-Y148 HydrophobicContact CG-CD1 4.21Å; W106-Y148 HydrophobicContact CG-CE1 4.34Å; W106-Y148 HydrophobicContact CZ2-CE1 4.41Å; W106-Y148 HydrophobicContact CZ3-CE1 4.34Å
107T95.7Very high87.5Confident9 Ų943.4 Ų43.46%0.05523%0.233CC..EExtended strand (participates in β ladder)trans-146.5149.7-169.8-166.30000110.7T105 T119 G120 V147 Y148 L150T105-T107 WeakPolarHBondContact CG2-O 3.4Å; T107-T119 WeakPolarHBondContact O-CA 3.44Å; T107-G120 PolarHBondContact O-N 3.17Å; T107-V147 HydrophobicContact CG2-CG1 4.08Å; T107-V147 WeakPolarHBondContact CG2-O 3.25Å; T107-Y148 WeakPolarHBondContact CB-O 3.32Å; T107-Y148 PolarHBondContact OG1-O 2.89Å; T107-L150 HydrophobicContact CG2-CB 4.22Å; T107-L150 HydrophobicContact CG2-CD1 3.91Å; T107-L150 HydrophobicContact CG2-CG 3.68Å
108I96.9Very high87.7Confident7 Ų741.5 Ų41.54%0.03622%0.221CC..EExtended strand (participates in β ladder)trans-136.4150.717857.8171.5000109.9S65 A76 I84 T105 L117 A118 T119S65-I108 PolarHBondContact OG-N 2.81Å; A76-I108 HydrophobicContact CB-CD1 3.67Å; A76-I108 VanDerWaalsContact O-CD1 3.26Å; A76-I108 WeakPolarHBondContact O-CD1 3.5Å; I84-I108 HydrophobicContact CG1-CG2 4.46Å; T105-I108 HydrophobicContact CG2-CG2 4.02Å; I108-L117 HydrophobicContact CB-CD1 4.15Å; I108-L117 HydrophobicContact CB-CD2 4.49Å; I108-L117 HydrophobicContact CB-CG 4.38Å; I108-L117 HydrophobicContact CG2-CD2 4.41Å; I108-A118 CarbonylContact C-O 3.54Å; I108-A118 VanDerWaalsContact CA-O 3.27Å; I108-A118 WeakPolarHBondContact CA-O 3.39Å; I108-T119 HydrophobicContact CG2-CG2 3.95Å
109A98.1Very high87.9Confident7 Ų741.1 Ų41.16%0.05822%0.22CC..EExtended strand (participates in β ladder)trans-150.1130.4173.400000110D67 A118 L150 Y152D67-A109 WeakPolarHBondContact OD2-CA 3.43Å; A109-A118 PolarHBondContact N-O 2.87Å; A109-A118 PolarHBondContact O-N 3.07Å; A109-L150 HydrophobicContact CB-CB 4.13Å; A109-Y152 HydrophobicContact CB-CD2 4.07Å; A109-Y152 HydrophobicContact CB-CE2 4.21Å; A109-Y152 WeakPolarHBondContact O-CE2 3.36Å
110F98.5Very high88.6Confident12 Ų1234.5 Ų34.55%0.05318%0.184CC..EExtended strand (participates in β ladder)trans-72.2142.3170.5-80.7-75.2000110.7D67 N69 L74 A76 L117 V131 Y152D67-F110 HydrophobicContact CB-CD2 4.04Å; D67-F110 PolarHBondContact OD2-N 2.93Å; N69-F110 HydrophobicContact CB-CB 4.4Å; N69-F110 HydrophobicContact CB-CD1 3.91Å; N69-F110 HydrophobicContact CB-CD2 3.9Å; N69-F110 HydrophobicContact CB-CE1 4.06Å; N69-F110 HydrophobicContact CB-CE2 4.04Å; N69-F110 HydrophobicContact CB-CG 3.82Å; N69-F110 HydrophobicContact CB-CZ 4.12Å; L74-F110 HydrophobicContact CB-CZ 4.39Å; A76-F110 HydrophobicContact CB-CE2 3.54Å; A76-F110 HydrophobicContact CB-CZ 3.56Å; F110-L117 HydrophobicContact CD1-CD1 3.88Å; F110-L117 HydrophobicContact CD2-CD1 4.01Å; F110-L117 HydrophobicContact CE1-CD1 3.98Å; F110-L117 HydrophobicContact CE2-CD1 4.11Å; F110-L117 HydrophobicContact CG-CD1 3.9Å; F110-L117 HydrophobicContact CZ-CD1 4.1Å; F110-V131 HydrophobicContact CD1-CG2 4.01Å; F110-V131 HydrophobicContact CE1-CG1 4.29Å; F110-V131 HydrophobicContact CE1-CG2 3.7Å; F110-Y152 WeakPolarHBondContact O-CD2 3.42Å
111S98.1Very high89.5Confident6 Ų633.5 Ų33.54%0.04217%0.173CC..  trans-65.3150.7165.962.30000110.1D113 S114 R115 F116S111-D113 WeakPolarHBondContact CB-OD1 3.41Å; S111-D113 PolarHBondContact O-N 2.91Å; S111-D113 VanDerWaalsContact O-N 3.14Å; S111-D113 PolarHBondContact OG-OD1 3.39Å; S111-S114 WeakPolarHBondContact O-CA 3.47Å; S111-S114 PolarHBondContact O-N 2.93Å; S111-R115 PolarHBondContact OG-N 3.39Å; S111-F116 PolarHBondContact N-O 2.84Å; S111-F116 PolarHBondContact OG-N 2.87Å; S111-F116 PolarHBondContact OG-O 3.33Å
112P97.7Very high90.5Very high44 Ų4429.7 Ų29.729%0.28615%0.151SC..THydrogen-bonded Turntrans-58.3-29.2-180-28.136.1000114.1S70 S114 I153 S154S70-P112 WeakPolarHBondContact CB-O 3.38Å; S70-P112 PolarHBondContact OG-O 3.16Å; P112-S114 VanDerWaalsContact C-N 3.27Å; P112-S114 PolarHBondContact O-N 3.25Å; P112-I153 WeakPolarHBondContact CG-O 3.16Å; P112-S154 WeakPolarHBondContact CB-O 3.46Å
113D97.1Very high91.9Very high78 Ų7831.9 Ų31.942%0.41716%0.164SC..THydrogen-bonded Turntrans-83.72.6175.368.62.6000113.9S111 R115S111-D113 WeakPolarHBondContact CB-OD1 3.41Å; S111-D113 PolarHBondContact O-N 2.91Å; S111-D113 VanDerWaalsContact O-N 3.14Å; S111-D113 PolarHBondContact OG-OD1 3.39Å; D113-R115 HydrophobicContact CB-CG 4.48Å; D113-R115 PolarHBondContact O-N 2.58Å; D113-R115 VanDerWaalsContact O-N 3.09Å; D113-R115 WeakPolarHBondContact OD1-CB 3.06Å; D113-R115 PolarHBondContact OD1-N 2.83Å; D113-R115 IonicContact OD1-NE 4Å; D113-R115 IonicContact OD2-CZ 3.96Å; D113-R115 IonicContact OD2-NE 2.71Å; D113-R115 PolarHBondContact OD2-NE 2.76Å; D113-R115 IonicContact OD2-NH2 3.85Å; D113-R115 PolarHBondContact OD2-NH2 2.87Å
114S97.2Very high93.4Very high18 Ų1830.3 Ų30.313%0.12615%0.151CC..SBendtrans58.412.2-177.6-640000115.7N69 S70 S111 P112N69-S114 WeakPolarHBondContact CB-OG 3.44Å; N69-S114 PolarHBondContact ND2-OG 3.02Å; N69-S114 VanDerWaalsContact ND2-OG 3.13Å; S70-S114 PolarHBondContact N-OG 3.21Å; S70-S114 VanDerWaalsContact N-OG 3.12Å; S70-S114 PolarHBondContact OG-OG 2.83Å; S111-S114 WeakPolarHBondContact O-CA 3.47Å; S111-S114 PolarHBondContact O-N 2.93Å; P112-S114 VanDerWaalsContact C-N 3.27Å; P112-S114 PolarHBondContact O-N 3.25Å
115R97.1Very high94.3Very high145 Ų14527.5 Ų27.555%0.54714%0.137SC..SBendtrans-82.1-30.7-178.7-67-167.8-61.3125.96.9113.1S111 D113 V131S111-R115 PolarHBondContact OG-N 3.39Å; D113-R115 HydrophobicContact CB-CG 4.48Å; D113-R115 PolarHBondContact O-N 2.58Å; D113-R115 VanDerWaalsContact O-N 3.09Å; D113-R115 WeakPolarHBondContact OD1-CB 3.06Å; D113-R115 PolarHBondContact OD1-N 2.83Å; D113-R115 IonicContact OD1-NE 4Å; D113-R115 IonicContact OD2-CZ 3.96Å; D113-R115 IonicContact OD2-NE 2.71Å; D113-R115 PolarHBondContact OD2-NE 2.76Å; D113-R115 IonicContact OD2-NH2 3.85Å; D113-R115 PolarHBondContact OD2-NH2 2.87Å; R115-V131 WeakPolarHBondContact O-CG2 3.35Å; R115-V131 PolarHBondContact O-N 2.99Å
116F96.9Very high94.7Very high33 Ų3327.3 Ų27.315%0.14514%0.136CC..EExtended strand (participates in β ladder)trans-122.7149-176.9-65.4-76.7000111.9S111 M128 I129 N130 E137S111-F116 PolarHBondContact N-O 2.84Å; S111-F116 PolarHBondContact OG-N 2.87Å; S111-F116 PolarHBondContact OG-O 3.33Å; F116-M128 HydrophobicContact CB-CE 3.87Å; F116-M128 HydrophobicContact CD1-CB 4.32Å; F116-M128 HydrophobicContact CG-CE 4.15Å; F116-I129 CarbonylContact C-O 3.57Å; F116-I129 VanDerWaalsContact CA-O 3.28Å; F116-I129 WeakPolarHBondContact CA-O 3.47Å; F116-N130 HydrophobicContact CD1-CB 4.48Å; F116-N130 HydrophobicContact CE1-CB 4.27Å; F116-E137 HydrophobicContact CE1-CB 4.18Å; F116-E137 WeakPolarHBondContact CE1-OE2 3.19Å; F116-E137 WeakPolarHBondContact CZ-OE2 2.79Å
117L97.1Very high94.8Very high1 Ų124.7 Ų24.71%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-111113.9163.4-172.973.1000107A76 I84 I108 F110 T119 I129 V131A76-L117 HydrophobicContact CB-CD1 3.81Å; A76-L117 HydrophobicContact CB-CD2 3.82Å; I84-L117 HydrophobicContact CG2-CD2 3.63Å; I108-L117 HydrophobicContact CB-CD1 4.15Å; I108-L117 HydrophobicContact CB-CD2 4.49Å; I108-L117 HydrophobicContact CB-CG 4.38Å; I108-L117 HydrophobicContact CG2-CD2 4.41Å; F110-L117 HydrophobicContact CD1-CD1 3.88Å; F110-L117 HydrophobicContact CD2-CD1 4.01Å; F110-L117 HydrophobicContact CE1-CD1 3.98Å; F110-L117 HydrophobicContact CE2-CD1 4.11Å; F110-L117 HydrophobicContact CG-CD1 3.9Å; F110-L117 HydrophobicContact CZ-CD1 4.1Å; L117-T119 HydrophobicContact CD2-CG2 4.34Å; L117-T119 HydrophobicContact CG-CG2 4.32Å; L117-I129 HydrophobicContact CB-CB 4.42Å; L117-I129 PolarHBondContact N-O 2.94Å; L117-I129 PolarHBondContact O-N 3.38Å; L117-V131 HydrophobicContact CB-CG2 4.32Å
118A96.7Very high94.8Very high0 Ų025.4 Ų25.40%013%0.13CC..EExtended strand (participates in β ladder)trans-76.8139.2168.600000109.3I108 A109 V126 N127 M128 L150 Y152 L159I108-A118 CarbonylContact C-O 3.54Å; I108-A118 VanDerWaalsContact CA-O 3.27Å; I108-A118 WeakPolarHBondContact CA-O 3.39Å; A109-A118 PolarHBondContact N-O 2.87Å; A109-A118 PolarHBondContact O-N 3.07Å; A118-V126 HydrophobicContact CB-CG1 4.21Å; A118-N127 CarbonylContact C-O 3.59Å; A118-N127 VanDerWaalsContact CA-O 3.26Å; A118-N127 WeakPolarHBondContact CA-O 3.39Å; A118-M128 HydrophobicContact CB-SD 4.03Å; A118-L150 HydrophobicContact CB-CD1 4Å; A118-Y152 HydrophobicContact CB-CE2 3.66Å; A118-Y152 WeakPolarHBondContact CB-OH 3.19Å; A118-L159 HydrophobicContact CB-CD1 4.25Å; A118-L159 HydrophobicContact CB-CD2 4.03Å
119T95.4Very high94.7Very high1 Ų125.2 Ų25.21%0.00613%0.129CC..EExtended strand (participates in β ladder)trans-131.2136176.778.30000110.6I84 T107 I108 L117 V126 N127 I129I84-T119 HydrophobicContact CD1-CG2 3.79Å; T107-T119 WeakPolarHBondContact O-CA 3.44Å; I108-T119 HydrophobicContact CG2-CG2 3.95Å; L117-T119 HydrophobicContact CD2-CG2 4.34Å; L117-T119 HydrophobicContact CG-CG2 4.32Å; T119-V126 CarbonylContact O-C 3.56Å; T119-V126 WeakPolarHBondContact O-CA 3.43Å; T119-N127 PolarHBondContact N-O 3.48Å; T119-N127 PolarHBondContact O-N 3.33Å; T119-I129 HydrophobicContact CG2-CD1 3.49Å; T119-I129 VanDerWaalsContact CG2-CD1 3.49Å; T119-I129 HydrophobicContact CG2-CG1 4.29Å
120G93.8Very high94.6Very high0 Ų026.1 Ų26.10%013%0.133CC..EExtended strand (participates in β ladder)trans-104.2124.5179.700000111.5T105 W106 T107T105-G120 CarbonylContact C-O 3.49Å; T105-G120 WeakPolarHBondContact CA-O 3.4Å; W106-G120 PolarHBondContact N-O 3.06Å; T107-G120 PolarHBondContact O-N 3.17Å
121S90.1Very high94.5Very high6 Ų626.2 Ų26.24%0.04213%0.134CC..EExtended strand (participates in β ladder)trans-99.1167.4-176.676.90000114.2D104 T123 G124 C125 F146 V147D104-S121 CarbonylContact O-C 3.4Å; S121-T123 PolarHBondContact O-N 2.79Å; S121-T123 PolarHBondContact OG-N 3.26Å; S121-T123 VanDerWaalsContact OG-N 3.16Å; S121-T123 PolarHBondContact OG-OG1 3.38Å; S121-G124 PolarHBondContact O-N 3.4Å; S121-C125 PolarHBondContact N-O 2.93Å; S121-C125 WeakPolarHBondContact OG-CB 3.46Å; S121-C125 PolarHBondContact OG-N 2.91Å; S121-C125 VanDerWaalsContact OG-N 3.11Å; S121-C125 PolarHBondContact OG-O 3.48Å; S121-F146 WeakPolarHBondContact O-CA 3.35Å; S121-V147 PolarHBondContact O-N 3.38Å
122H88.9Confident94.4Very high53 Ų5333.6 Ų33.625%0.24517%0.168CC..THydrogen-bonded Turntrans-59.7-24.2167.873.3-80.2000114.6A103 D104 G124 K145 F146A103-H122 PolarHBondContact O-CE1 2.83Å; A103-H122 PolarHBondContact O-ND1 2.88Å; D104-H122 HydrophobicContact CB-CB 3.65Å; D104-H122 WeakPolarHBondContact CB-ND1 3.28Å; D104-H122 PolarHBondContact O-N 3.03Å; D104-H122 IonicContact OD2-CD2 3.38Å; D104-H122 IonicContact OD2-CE1 3.97Å; D104-H122 PolarHBondContact OD2-CE1 3.24Å; D104-H122 IonicContact OD2-CG 3.26Å; D104-H122 IonicContact OD2-ND1 3.25Å; D104-H122 PolarHBondContact OD2-ND1 2.82Å; D104-H122 IonicContact OD2-NE2 3.77Å; H122-G124 VanDerWaalsContact C-N 3.28Å; H122-G124 PolarHBondContact O-N 3.18Å; H122-K145 WeakPolarHBondContact O-CB 3.38Å; H122-F146 HydrophobicContact CB-CD1 3.58Å; H122-F146 HydrophobicContact CB-CE1 3.45Å; H122-F146 VanDerWaalsContact CB-CE1 3.45Å; H122-F146 HydrophobicContact CB-CG 4.21Å; H122-F146 HydrophobicContact CB-CZ 3.98Å; H122-F146 PolarHBondContact O-N 3.45Å
123T88.7Confident94.2Very high66 Ų6634.6 Ų34.641%0.40517%0.173SC..THydrogen-bonded Turntrans-85.33.5-179.5580000113.8S121 C125 Q141S121-T123 PolarHBondContact O-N 2.79Å; S121-T123 PolarHBondContact OG-N 3.26Å; S121-T123 VanDerWaalsContact OG-N 3.16Å; S121-T123 PolarHBondContact OG-OG1 3.38Å; T123-C125 PolarHBondContact O-N 2.66Å; T123-Q141 PolarHBondContact O-NE2 3.31Å
124G89.6Confident94Very high0 Ų031.3 Ų31.30%016%0.157CC..SBendtrans77.88.7-173.700000113.2S121 H122 Q141 L142S121-G124 PolarHBondContact O-N 3.4Å; H122-G124 VanDerWaalsContact C-N 3.28Å; H122-G124 PolarHBondContact O-N 3.18Å; G124-Q141 PolarHBondContact O-NE2 3.48Å; G124-L142 VanDerWaalsContact O-CB 3.3Å; G124-L142 WeakPolarHBondContact O-CB 3.3Å; G124-L142 PolarHBondContact O-N 2.86Å
125C91.3Very high93.7Very high15 Ų1536 Ų3610%0.10118%0.177CC..EExtended strand (participates in β ladder)trans-88134.9178.7-175.90000109.9S121 T123 N127S121-C125 PolarHBondContact N-O 2.93Å; S121-C125 WeakPolarHBondContact OG-CB 3.46Å; S121-C125 PolarHBondContact OG-N 2.91Å; S121-C125 VanDerWaalsContact OG-N 3.11Å; S121-C125 PolarHBondContact OG-O 3.48Å; T123-C125 PolarHBondContact O-N 2.66Å; C125-N127 PolarHBondContact SG-OD1 3.09Å
126V93.2Very high93.5Very high2 Ų233.5 Ų33.51%0.01217%0.17CC..EExtended strand (participates in β ladder)trans-101.3119.7166.8179.50000108.5A118 T119 S139 I140 L142 L150 L159A118-V126 HydrophobicContact CB-CG1 4.21Å; T119-V126 CarbonylContact O-C 3.56Å; T119-V126 WeakPolarHBondContact O-CA 3.43Å; V126-S139 CarbonylContact O-C 3.54Å; V126-S139 WeakPolarHBondContact O-CA 3.45Å; V126-S139 WeakPolarHBondContact O-CB 3.31Å; V126-I140 PolarHBondContact N-O 3.05Å; V126-I140 PolarHBondContact O-N 2.83Å; V126-L142 HydrophobicContact CG2-CD1 3.55Å; V126-L142 HydrophobicContact CG2-CG 4.02Å; V126-L150 HydrophobicContact CG1-CD1 4.09Å; V126-L150 HydrophobicContact CG1-CD2 4.41Å; V126-L150 HydrophobicContact CG2-CD1 4.5Å; V126-L150 HydrophobicContact CG2-CD2 3.84Å; V126-L159 HydrophobicContact CG1-CD2 3.53Å
127N93Very high93.4Very high15 Ų1537.2 Ų37.28%0.0819%0.188CC..EExtended strand (participates in β ladder)trans-99.5147.5175.8-54.9-70.9000110.9A118 T119 C125 K136A118-N127 CarbonylContact C-O 3.59Å; A118-N127 VanDerWaalsContact CA-O 3.26Å; A118-N127 WeakPolarHBondContact CA-O 3.39Å; T119-N127 PolarHBondContact N-O 3.48Å; T119-N127 PolarHBondContact O-N 3.33Å; C125-N127 PolarHBondContact SG-OD1 3.09Å; N127-K136 HydrophobicContact CB-CD 4.31Å; N127-K136 WeakPolarHBondContact OD1-CE 3.43Å; N127-K136 PolarHBondContact OD1-NZ 2.93Å
128M94.3Very high93.1Very high25 Ų2538.4 Ų38.412%0.12320%0.201CC..EExtended strand (participates in β ladder)trans-109.7108.1175.2-56.5-60.9-68.200108.2F116 A118 E137 G138 Y152F116-M128 HydrophobicContact CB-CE 3.87Å; F116-M128 HydrophobicContact CD1-CB 4.32Å; F116-M128 HydrophobicContact CG-CE 4.15Å; A118-M128 HydrophobicContact CB-SD 4.03Å; M128-E137 PolarHBondContact O-N 3.28Å; M128-G138 PolarHBondContact N-O 3.06Å; M128-G138 PolarHBondContact O-N 3.15Å; M128-Y152 HydrophobicContact CE-CE1 4.45Å; M128-Y152 WeakPolarHBondContact CE-OH 3.44Å
129I95.2Very high92.8Very high3 Ų341.5 Ų41.52%0.01522%0.223CC..EExtended strand (participates in β ladder)trans-101125.2-179.6-57.6170.6000108.3I84 Y98 F116 L117 T119 V131 Q135I84-I129 HydrophobicContact CD1-CD1 4.01Å; Y98-I129 HydrophobicContact CD1-CD1 3.86Å; Y98-I129 HydrophobicContact CD2-CD1 3.66Å; Y98-I129 HydrophobicContact CD2-CG1 4.08Å; Y98-I129 HydrophobicContact CD2-CG2 3.76Å; Y98-I129 HydrophobicContact CE1-CD1 3.88Å; Y98-I129 HydrophobicContact CE2-CD1 3.69Å; Y98-I129 HydrophobicContact CE2-CG1 3.78Å; Y98-I129 HydrophobicContact CE2-CG2 4.07Å; Y98-I129 HydrophobicContact CG-CD1 3.73Å; F116-I129 CarbonylContact C-O 3.57Å; F116-I129 VanDerWaalsContact CA-O 3.28Å; F116-I129 WeakPolarHBondContact CA-O 3.47Å; L117-I129 HydrophobicContact CB-CB 4.42Å; L117-I129 PolarHBondContact N-O 2.94Å; L117-I129 PolarHBondContact O-N 3.38Å; T119-I129 HydrophobicContact CG2-CD1 3.49Å; T119-I129 VanDerWaalsContact CG2-CD1 3.49Å; T119-I129 HydrophobicContact CG2-CG1 4.29Å; I129-V131 PolarHBondContact O-N 2.83Å; I129-Q135 WeakPolarHBondContact CA-O 3.44Å
130N96.1Very high92.7Very high25 Ų2542.9 Ų42.913%0.13423%0.23CC..EExtended strand (participates in β ladder)trans-71.1123.1172.4176.5-47.6000109.8F116 Q132 T133 A134 Q135 E137F116-N130 HydrophobicContact CD1-CB 4.48Å; F116-N130 HydrophobicContact CE1-CB 4.27Å; N130-Q132 VanDerWaalsContact C-N 3.32Å; N130-Q132 PolarHBondContact O-N 2.88Å; N130-Q132 WeakPolarHBondContact OD1-CA 3.38Å; N130-Q132 WeakPolarHBondContact OD1-CB 3.38Å; N130-Q132 PolarHBondContact OD1-N 2.94Å; N130-T133 WeakPolarHBondContact CB-OG1 3.43Å; N130-T133 PolarHBondContact O-N 3.44Å; N130-T133 PolarHBondContact OD1-N 2.86Å; N130-T133 PolarHBondContact OD1-OG1 2.89Å; N130-A134 VanDerWaalsContact O-CA 3.25Å; N130-A134 WeakPolarHBondContact O-CA 3.3Å; N130-A134 PolarHBondContact O-N 3.16Å; N130-Q135 PolarHBondContact N-O 2.87Å; N130-E137 VanDerWaalsContact CB-CD 3.43Å; N130-E137 HydrophobicContact CB-CG 3.86Å; N130-E137 WeakPolarHBondContact CB-OE1 3.16Å; N130-E137 VanDerWaalsContact CG-OE1 3.31Å; N130-E137 PolarHBondContact ND2-OE1 3.4Å
131V97.1Very high92.6Very high15 Ų1548.5 Ų48.59%0.09126%0.256CS..THydrogen-bonded Turntrans-65.4-36.3-174.6173.60000111.7L74 L86 K96 F110 R115 L117 I129L74-V131 HydrophobicContact CD1-CG1 3.81Å; L86-V131 HydrophobicContact CD2-CG1 3.84Å; K96-V131 WeakPolarHBondContact CD-O 3.14Å; K96-V131 WeakPolarHBondContact CE-O 3.49Å; F110-V131 HydrophobicContact CD1-CG2 4.01Å; F110-V131 HydrophobicContact CE1-CG1 4.29Å; F110-V131 HydrophobicContact CE1-CG2 3.7Å; R115-V131 WeakPolarHBondContact O-CG2 3.35Å; R115-V131 PolarHBondContact O-N 2.99Å; L117-V131 HydrophobicContact CB-CG2 4.32Å; I129-V131 PolarHBondContact O-N 2.83Å
132Q95.6Very high92.6Very high161 Ų16148.7 Ų48.775%0.75226%0.256SS*.THydrogen-bonded Turntrans-74.8-37.6-178.9-174.7179.67.800112.5K96 N130K96-Q132 WeakPolarHBondContact CE-O 3.06Å; K96-Q132 PolarHBondContact NZ-O 3.21Å; N130-Q132 VanDerWaalsContact C-N 3.32Å; N130-Q132 PolarHBondContact O-N 2.88Å; N130-Q132 WeakPolarHBondContact OD1-CA 3.38Å; N130-Q132 WeakPolarHBondContact OD1-CB 3.38Å; N130-Q132 PolarHBondContact OD1-N 2.94Å
133T93.9Very high92.4Very high64 Ų6451.4 Ų51.439%0.39327%0.269SS..THydrogen-bonded Turntrans-96.3-17.1-17764.10000112.9N130 Q135N130-T133 WeakPolarHBondContact CB-OG1 3.43Å; N130-T133 PolarHBondContact O-N 3.44Å; N130-T133 PolarHBondContact OD1-N 2.86Å; N130-T133 PolarHBondContact OD1-OG1 2.89Å; T133-Q135 PolarHBondContact O-N 3.29Å; T133-Q135 PolarHBondContact OG1-N 2.82Å
134A92.4Very high92.1Very high10 Ų1049.5 Ų49.58%0.08326%0.263CS..THydrogen-bonded Turntrans53.434.7-167.500000113K96 Y98 N130K96-A134 HydrophobicContact CB-CB 4.29Å; K96-A134 HydrophobicContact CD-CB 4.08Å; K96-A134 HydrophobicContact CG-CB 4.48Å; Y98-A134 WeakPolarHBondContact CD2-O 2.83Å; N130-A134 VanDerWaalsContact O-CA 3.25Å; N130-A134 WeakPolarHBondContact O-CA 3.3Å; N130-A134 PolarHBondContact O-N 3.16Å
135Q92.4Very high91.9Very high115 Ų11555.6 Ų55.654%0.53729%0.289SS..EExtended strand (participates in β ladder)trans-115.1145.4178.1-60.8-58-48.100110.6I129 N130 T133 E137I129-Q135 WeakPolarHBondContact CA-O 3.44Å; N130-Q135 PolarHBondContact N-O 2.87Å; T133-Q135 PolarHBondContact O-N 3.29Å; T133-Q135 PolarHBondContact OG1-N 2.82Å; Q135-E137 PolarHBondContact O-N 3.1Å
136K92.9Very high92Very high93 Ų9358 Ų5840%0.40430%0.298SS..EExtended strand (participates in β ladder)trans-69.9123170.3176.1178168.8170.40109Y98 N127 G138 S139Y98-K136 HydrophobicContact CE2-CB 4.37Å; N127-K136 HydrophobicContact CB-CD 4.31Å; N127-K136 WeakPolarHBondContact OD1-CE 3.43Å; N127-K136 PolarHBondContact OD1-NZ 2.93Å; K136-G138 WeakPolarHBondContact CE-O 3.18Å; K136-S139 WeakPolarHBondContact CE-OG 3.22Å; K136-S139 PolarHBondContact NZ-OG 3.35Å; K136-S139 VanDerWaalsContact NZ-OG 3.16Å
137E93.1Very high92.1Very high111 Ų11158 Ų5852%0.51930%0.298SS..EExtended strand (participates in β ladder)trans-108.7-16.4178.1-69.1-168.117900113.1F116 M128 N130 Q135F116-E137 HydrophobicContact CE1-CB 4.18Å; F116-E137 WeakPolarHBondContact CE1-OE2 3.19Å; F116-E137 WeakPolarHBondContact CZ-OE2 2.79Å; M128-E137 PolarHBondContact O-N 3.28Å; N130-E137 VanDerWaalsContact CB-CD 3.43Å; N130-E137 HydrophobicContact CB-CG 3.86Å; N130-E137 WeakPolarHBondContact CB-OE1 3.16Å; N130-E137 VanDerWaalsContact CG-OE1 3.31Å; N130-E137 PolarHBondContact ND2-OE1 3.4Å; Q135-E137 PolarHBondContact O-N 3.1Å
138G91.3Very high92.2Very high26 Ų2659 Ų5927%0.26830%0.301SS..EExtended strand (participates in β ladder)trans-163168.5178.600000113.1M128 K136M128-G138 PolarHBondContact N-O 3.06Å; M128-G138 PolarHBondContact O-N 3.15Å; K136-G138 WeakPolarHBondContact CE-O 3.18Å
139S91.5Very high92.4Very high66 Ų6658.3 Ų58.346%0.46230%0.298SS..EExtended strand (participates in β ladder)trans-153.5148.4168.646.10000112.2V126 K136V126-S139 CarbonylContact O-C 3.54Å; V126-S139 WeakPolarHBondContact O-CA 3.45Å; V126-S139 WeakPolarHBondContact O-CB 3.31Å; K136-S139 WeakPolarHBondContact CE-OG 3.22Å; K136-S139 PolarHBondContact NZ-OG 3.35Å; K136-S139 VanDerWaalsContact NZ-OG 3.16Å
140I91.8Very high92.5Very high30 Ų3058.8 Ų58.815%0.15430%0.301CS..EExtended strand (participates in β ladder)trans-119.6125.6174.9-63.6150.3000107.1V126 L142 L173 V178V126-I140 PolarHBondContact N-O 3.05Å; V126-I140 PolarHBondContact O-N 2.83Å; I140-L142 HydrophobicContact CG2-CD2 4.02Å; I140-L173 HydrophobicContact CD1-CD2 3.43Å; I140-L173 VanDerWaalsContact CD1-CD2 3.43Å; I140-V178 HydrophobicContact CG2-CG2 4.31Å
141Q91.8Very high92.6Very high118 Ų11858.3 Ų58.355%0.55130%0.3SS*.EExtended strand (participates in β ladder)trans-87.6117.5173.5-176.962.657.300108.8T123 G124T123-Q141 PolarHBondContact O-NE2 3.31Å; G124-Q141 PolarHBondContact O-NE2 3.48Å
142L89.9Confident92.7Very high9 Ų959 Ų595%0.04730%0.301CS..PPolyproline II helixtrans-89.4162.7171.6-54.8176.3000110.3G124 V126 I140 V147 A161 V178G124-L142 VanDerWaalsContact O-CB 3.3Å; G124-L142 WeakPolarHBondContact O-CB 3.3Å; G124-L142 PolarHBondContact O-N 2.86Å; V126-L142 HydrophobicContact CG2-CD1 3.55Å; V126-L142 HydrophobicContact CG2-CG 4.02Å; I140-L142 HydrophobicContact CG2-CD2 4.02Å; L142-V147 HydrophobicContact CD1-CG2 4.2Å; L142-A161 HydrophobicContact CD1-CB 3.27Å; L142-V178 HydrophobicContact CD2-CG1 4.19Å; L142-V178 HydrophobicContact CD2-CG2 4.29Å
143E85.9Confident92.8Very high110 Ų11051.8 Ų51.851%0.51427%0.268SS..SBendtrans-72.4145.3165.5-71.1-174.6-178.800110.8L167 F180E143-L167 HydrophobicContact CB-CD1 3.87Å; E143-F180 HydrophobicContact CB-CD1 4.41Å; E143-F180 HydrophobicContact CB-CE1 3.6Å; E143-F180 HydrophobicContact CB-CZ 3.99Å; E143-F180 VanDerWaalsContact CD-CZ 3.43Å; E143-F180 HydrophobicContact CG-CE1 3.64Å; E143-F180 HydrophobicContact CG-CE2 4.3Å; E143-F180 HydrophobicContact CG-CZ 3.45Å; E143-F180 VanDerWaalsContact CG-CZ 3.45Å
144G81.2Confident92.9Very high27 Ų2752.2 Ų52.228%0.27827%0.274SS..SBendtrans94.3-164.8-178.700000113.9
145K87.1Confident93Very high128 Ų12857.3 Ų57.356%0.55730%0.299SS*.SBendtrans-135162.7179.7-64.7-174.8179.7-177.90108.5H122 I164H122-K145 WeakPolarHBondContact O-CB 3.38Å; K145-I164 HydrophobicContact CB-CG2 4.38Å; K145-I164 WeakPolarHBondContact O-CG2 3.43Å; K145-I164 PolarHBondContact O-N 2.93Å
146F92Very high93.3Very high66 Ų6652.9 Ų52.929%0.28929%0.285SS..  trans49.188.5176.5-59.1-93.4000113.4W106 S121 H122 Y148 T163 I164W106-F146 AromaticContact NE1-CD1 3.93Å; S121-F146 WeakPolarHBondContact O-CA 3.35Å; H122-F146 HydrophobicContact CB-CD1 3.58Å; H122-F146 HydrophobicContact CB-CE1 3.45Å; H122-F146 VanDerWaalsContact CB-CE1 3.45Å; H122-F146 HydrophobicContact CB-CG 4.21Å; H122-F146 HydrophobicContact CB-CZ 3.98Å; H122-F146 PolarHBondContact O-N 3.45Å; F146-Y148 HydrophobicContact CB-CE1 4.37Å; F146-Y148 PolarHBondContact O-N 2.72Å; F146-T163 VanDerWaalsContact O-CA 3.31Å; F146-T163 WeakPolarHBondContact O-CA 3.39Å; F146-I164 HydrophobicContact CB-CB 3.9Å; F146-I164 HydrophobicContact CB-CD1 4.5Å; F146-I164 HydrophobicContact CB-CG2 3.93Å; F146-I164 HydrophobicContact CD2-CD1 4.12Å; F146-I164 HydrophobicContact CD2-CG2 3.95Å; F146-I164 HydrophobicContact CG-CD1 4.38Å; F146-I164 HydrophobicContact CG-CG2 4.38Å; F146-I164 PolarHBondContact O-N 2.93Å; F146-I164 VanDerWaalsContact O-N 3.09Å
147V95.4Very high93.4Very high0 Ų050 Ų500%028%0.277CS..EExtended strand (participates in β ladder)trans-74.1106170.8-174.60000108.5W106 T107 S121 L142 L150 A161W106-V147 WeakPolarHBondContact CB-O 3.48Å; T107-V147 HydrophobicContact CG2-CG1 4.08Å; T107-V147 WeakPolarHBondContact CG2-O 3.25Å; S121-V147 PolarHBondContact O-N 3.38Å; L142-V147 HydrophobicContact CD1-CG2 4.2Å; V147-L150 HydrophobicContact CG1-CD2 3.72Å; V147-L150 HydrophobicContact CG1-CG 3.91Å; V147-A161 HydrophobicContact CG1-CB 4.18Å
148Y96.1Very high93.7Very high37 Ų3747.2 Ų47.215%0.14526%0.263CS..EExtended strand (participates in β ladder)trans-85.1-26.1-178.3-76.6-43.8000113.6W106 T107 F146 G162 I164 P187 V188W106-Y148 HydrophobicContact CB-CD1 4.46Å; W106-Y148 AromaticContact CD2-CD1 3.98Å; W106-Y148 HydrophobicContact CD2-CD1 3.98Å; W106-Y148 AromaticContact CD2-CE1 3.88Å; W106-Y148 HydrophobicContact CD2-CE1 3.88Å; W106-Y148 AromaticContact CE3-CD1 3.96Å; W106-Y148 HydrophobicContact CE3-CD1 3.96Å; W106-Y148 HydrophobicContact CE3-CE1 4.02Å; W106-Y148 HydrophobicContact CG-CD1 4.21Å; W106-Y148 HydrophobicContact CG-CE1 4.34Å; W106-Y148 HydrophobicContact CZ2-CE1 4.41Å; W106-Y148 HydrophobicContact CZ3-CE1 4.34Å; T107-Y148 WeakPolarHBondContact CB-O 3.32Å; T107-Y148 PolarHBondContact OG1-O 2.89Å; F146-Y148 HydrophobicContact CB-CE1 4.37Å; F146-Y148 PolarHBondContact O-N 2.72Å; Y148-G162 PolarHBondContact N-O 2.89Å; Y148-I164 HydrophobicContact CD2-CB 4.28Å; Y148-I164 HydrophobicContact CE2-CB 3.57Å; Y148-I164 HydrophobicContact CE2-CD1 4.33Å; Y148-I164 HydrophobicContact CE2-CG1 3.69Å; Y148-I164 WeakPolarHBondContact OH-CD1 3.45Å; Y148-P187 HydrophobicContact CD2-CB 4.25Å; Y148-P187 HydrophobicContact CE2-CB 3.92Å; Y148-V188 WeakPolarHBondContact CB-O 3.14Å
149S97.3Very high94Very high10 Ų1046.2 Ų46.27%0.0725%0.251CS..EExtended strand (participates in β ladder)trans-147.5141.7-178.51800000111.3A161 G162 R189 S190 V191S149-A161 VanDerWaalsContact O-CA 3.3Å; S149-A161 WeakPolarHBondContact O-CA 3.31Å; S149-G162 PolarHBondContact N-O 2.93Å; S149-G162 PolarHBondContact O-N 3.29Å; S149-R189 WeakPolarHBondContact CB-O 3.45Å; S149-S190 WeakPolarHBondContact OG-CA 3.27Å; S149-V191 PolarHBondContact OG-N 3.47Å
150L97.9Very high94.3Very high13 Ų1343.1 Ų43.17%0.06823%0.229CC..EExtended strand (participates in β ladder)trans-126.2145.7171.4-69.8174.6000109.5T107 A109 A118 V126 V147 L159 A160 A161T107-L150 HydrophobicContact CG2-CB 4.22Å; T107-L150 HydrophobicContact CG2-CD1 3.91Å; T107-L150 HydrophobicContact CG2-CG 3.68Å; A109-L150 HydrophobicContact CB-CB 4.13Å; A118-L150 HydrophobicContact CB-CD1 4Å; V126-L150 HydrophobicContact CG1-CD1 4.09Å; V126-L150 HydrophobicContact CG1-CD2 4.41Å; V126-L150 HydrophobicContact CG2-CD1 4.5Å; V126-L150 HydrophobicContact CG2-CD2 3.84Å; V147-L150 HydrophobicContact CG1-CD2 3.72Å; V147-L150 HydrophobicContact CG1-CG 3.91Å; L150-L159 HydrophobicContact CB-CD1 4.43Å; L150-L159 HydrophobicContact CD2-CD2 3.91Å; L150-L159 HydrophobicContact CD2-CG 4.18Å; L150-A160 VanDerWaalsContact CA-O 3.31Å; L150-A160 WeakPolarHBondContact CA-O 3.17Å; L150-A161 HydrophobicContact CD2-CB 3.75Å
151A98.3Very high94.6Very high15 Ų1541.8 Ų41.812%0.12422%0.223CC..EExtended strand (participates in β ladder)trans-145.5131.4170.800000109.8L159 A160 V191 F193A151-L159 WeakPolarHBondContact O-CA 3.14Å; A151-L159 WeakPolarHBondContact O-CD1 3.43Å; A151-A160 PolarHBondContact N-O 2.85Å; A151-A160 PolarHBondContact O-N 2.94Å; A151-V191 HydrophobicContact CB-CG2 4.11Å; A151-F193 HydrophobicContact CB-CD2 4.17Å; A151-F193 VanDerWaalsContact O-CE2 3.29Å; A151-F193 WeakPolarHBondContact O-CE2 3.43Å
152Y98.4Very high94.9Very high29 Ų2936.2 Ų36.211%0.11420%0.197CC..EExtended strand (participates in β ladder)trans-81.1145.2169.2-79.9-90.7000110.6A109 F110 A118 M128 L159 L173 F193A109-Y152 HydrophobicContact CB-CD2 4.07Å; A109-Y152 HydrophobicContact CB-CE2 4.21Å; A109-Y152 WeakPolarHBondContact O-CE2 3.36Å; F110-Y152 WeakPolarHBondContact O-CD2 3.42Å; A118-Y152 HydrophobicContact CB-CE2 3.66Å; A118-Y152 WeakPolarHBondContact CB-OH 3.19Å; M128-Y152 HydrophobicContact CE-CE1 4.45Å; M128-Y152 WeakPolarHBondContact CE-OH 3.44Å; Y152-L159 HydrophobicContact CD1-CD1 3.88Å; Y152-L159 HydrophobicContact CD2-CD1 3.54Å; Y152-L159 HydrophobicContact CE1-CD1 3.98Å; Y152-L159 HydrophobicContact CE2-CD1 3.62Å; Y152-L159 HydrophobicContact CG-CD1 3.68Å; Y152-L173 HydrophobicContact CD1-CD1 4.01Å; Y152-L173 HydrophobicContact CE1-CD1 3.51Å; Y152-F193 VanDerWaalsContact C-CD2 3.49Å; Y152-F193 WeakPolarHBondContact O-CD2 3.41Å
153I97.9Very high95.2Very high10 Ų1035.8 Ų35.85%0.05120%0.195CC..  trans-69.7154.8161-160.9170.1000109.2P112 D155 G156 K158 F193 V214P112-I153 WeakPolarHBondContact CG-O 3.16Å; I153-D155 VanDerWaalsContact C-N 3.31Å; I153-D155 WeakPolarHBondContact CG2-OD1 3.45Å; I153-D155 PolarHBondContact O-N 3Å; I153-G156 PolarHBondContact O-N 2.91Å; I153-K158 HydrophobicContact CB-CB 4.17Å; I153-K158 HydrophobicContact CD1-CD 4.4Å; I153-K158 HydrophobicContact CG2-CB 3.75Å; I153-K158 WeakPolarHBondContact CG2-O 3.24Å; I153-K158 PolarHBondContact N-O 3.39Å; I153-F193 HydrophobicContact CB-CD2 4.1Å; I153-F193 HydrophobicContact CB-CE2 4.07Å; I153-F193 HydrophobicContact CB-CG 4.31Å; I153-F193 HydrophobicContact CB-CZ 4.29Å; I153-F193 HydrophobicContact CD1-CE1 4.49Å; I153-F193 HydrophobicContact CG1-CD1 4.33Å; I153-F193 HydrophobicContact CG1-CG 4.38Å; I153-V214 HydrophobicContact CD1-CG1 4.3Å
154S95.8Very high95.7Very high73 Ų7332.9 Ų32.951%0.5118%0.183SC..THydrogen-bonded Turntrans-60.6-31.2-170.551.90000115.3P112 G156 P195P112-S154 WeakPolarHBondContact CB-O 3.46Å; S154-G156 VanDerWaalsContact C-N 3.32Å; S154-P195 PolarHBondContact OG-O 2.83Å; S154-P195 VanDerWaalsContact OG-O 3.04Å
155D96.2Very high96.4Very high117 Ų11736.1 Ų36.163%0.62619%0.193SC*.THydrogen-bonded Turntrans-84.6-4.4175.468.814.3000114I153 S157I153-D155 VanDerWaalsContact C-N 3.31Å; I153-D155 WeakPolarHBondContact CG2-OD1 3.45Å; I153-D155 PolarHBondContact O-N 3Å; D155-S157 VanDerWaalsContact C-N 3.26Å; D155-S157 PolarHBondContact O-N 2.83Å; D155-S157 WeakPolarHBondContact OD1-CB 3.38Å; D155-S157 PolarHBondContact OD1-N 3.46Å; D155-S157 PolarHBondContact OD1-OG 2.94Å; D155-S157 PolarHBondContact OD2-OG 2.94Å
156G96.7Very high96.9Very high23 Ų2330 Ų3024%0.23717%0.167CC..SBendtrans74.17.7-179.700000114.9I153 S154 L173I153-G156 PolarHBondContact O-N 2.91Å; S154-G156 VanDerWaalsContact C-N 3.32Å; G156-L173 WeakPolarHBondContact O-CD1 3.4Å
157S96.6Very high97.1Very high33 Ų3329.3 Ų29.323%0.23117%0.166CC..SBendtrans-76.1-23.7-179.766.20000113.7D155 L173D155-S157 VanDerWaalsContact C-N 3.26Å; D155-S157 PolarHBondContact O-N 2.83Å; D155-S157 WeakPolarHBondContact OD1-CB 3.38Å; D155-S157 PolarHBondContact OD1-N 3.46Å; D155-S157 PolarHBondContact OD1-OG 2.94Å; D155-S157 PolarHBondContact OD2-OG 2.94Å; S157-L173 WeakPolarHBondContact O-CB 3.36Å; S157-L173 PolarHBondContact O-N 2.85Å
158K97.8Very high97.2Very high52 Ų5229.3 Ų29.323%0.22617%0.166CC..EExtended strand (participates in β ladder)trans-134.3152.5-174.7-69.4165.6-179.747.80112.2I153 I170 C171 D172 V214I153-K158 HydrophobicContact CB-CB 4.17Å; I153-K158 HydrophobicContact CD1-CD 4.4Å; I153-K158 HydrophobicContact CG2-CB 3.75Å; I153-K158 WeakPolarHBondContact CG2-O 3.24Å; I153-K158 PolarHBondContact N-O 3.39Å; K158-I170 HydrophobicContact CB-CG2 4.06Å; K158-I170 HydrophobicContact CD-CG2 4.06Å; K158-I170 HydrophobicContact CG-CG2 4.22Å; K158-C171 CarbonylContact C-O 3.53Å; K158-C171 WeakPolarHBondContact CA-O 3.32Å; K158-C171 WeakPolarHBondContact CB-O 3.39Å; K158-D172 HydrophobicContact CG-CB 4.49Å; K158-D172 IonicContact NZ-OD2 3.76Å; K158-D172 PolarHBondContact NZ-OD2 3.4Å; K158-V214 HydrophobicContact CD-CG1 4.35Å
159L97.9Very high97.3Very high5 Ų527.6 Ų27.63%0.02616%0.159CC..EExtended strand (participates in β ladder)trans-130.1124.7174.9-172.576.6000109.6A118 V126 L150 A151 Y152 C171 L173A118-L159 HydrophobicContact CB-CD1 4.25Å; A118-L159 HydrophobicContact CB-CD2 4.03Å; V126-L159 HydrophobicContact CG1-CD2 3.53Å; L150-L159 HydrophobicContact CB-CD1 4.43Å; L150-L159 HydrophobicContact CD2-CD2 3.91Å; L150-L159 HydrophobicContact CD2-CG 4.18Å; A151-L159 WeakPolarHBondContact O-CA 3.14Å; A151-L159 WeakPolarHBondContact O-CD1 3.43Å; Y152-L159 HydrophobicContact CD1-CD1 3.88Å; Y152-L159 HydrophobicContact CD2-CD1 3.54Å; Y152-L159 HydrophobicContact CE1-CD1 3.98Å; Y152-L159 HydrophobicContact CE2-CD1 3.62Å; Y152-L159 HydrophobicContact CG-CD1 3.68Å; L159-C171 PolarHBondContact N-O 2.97Å; L159-C171 PolarHBondContact O-N 3.12Å; L159-L173 HydrophobicContact CB-CD1 4.22Å; L159-L173 HydrophobicContact CB-CD2 4.01Å; L159-L173 HydrophobicContact CB-CG 4.3Å
160A98.4Very high97.3Very high0 Ų027.3 Ų27.30%016%0.157CC..EExtended strand (participates in β ladder)trans-92.1149.1172.100000110.8L150 A151 S169 I170 V191 F193 L200L150-A160 VanDerWaalsContact CA-O 3.31Å; L150-A160 WeakPolarHBondContact CA-O 3.17Å; A151-A160 PolarHBondContact N-O 2.85Å; A151-A160 PolarHBondContact O-N 2.94Å; A160-S169 CarbonylContact C-O 3.57Å; A160-S169 VanDerWaalsContact CA-O 3.22Å; A160-S169 WeakPolarHBondContact CA-O 3.27Å; A160-I170 HydrophobicContact CB-CG1 4.47Å; A160-V191 HydrophobicContact CB-CB 4.48Å; A160-V191 HydrophobicContact CB-CG2 4.08Å; A160-F193 HydrophobicContact CB-CD2 4.22Å; A160-F193 HydrophobicContact CB-CE1 4.47Å; A160-F193 HydrophobicContact CB-CE2 3.4Å; A160-F193 HydrophobicContact CB-CZ 3.55Å; A160-L200 HydrophobicContact CB-CD1 3.53Å; A160-L200 HydrophobicContact CB-CD2 3.85Å; A160-L200 HydrophobicContact CB-CG 4.38Å
161A98Very high97.3Very high3 Ų326.9 Ų26.93%0.02516%0.155CC..EExtended strand (participates in β ladder)trans-138.1139.7177.500000112L142 V147 S149 L150 V168 S169L142-A161 HydrophobicContact CD1-CB 3.27Å; V147-A161 HydrophobicContact CG1-CB 4.18Å; S149-A161 VanDerWaalsContact O-CA 3.3Å; S149-A161 WeakPolarHBondContact O-CA 3.31Å; L150-A161 HydrophobicContact CD2-CB 3.75Å; A161-V168 WeakPolarHBondContact O-CA 3.35Å; A161-S169 PolarHBondContact N-O 2.95Å; A161-S169 PolarHBondContact O-N 3.45Å
162G97.9Very high97.1Very high0 Ų027.4 Ų27.40%016%0.156CC..EExtended strand (participates in β ladder)trans-113.5137.9168.600000111.1Y148 S149Y148-G162 PolarHBondContact N-O 2.89Å; S149-G162 PolarHBondContact N-O 2.93Å; S149-G162 PolarHBondContact O-N 3.29Å
163T97.2Very high96.9Very high0 Ų028.4 Ų28.40%016%0.163CC..EExtended strand (participates in β ladder)trans-125.4164-173.9690000113.6F146 N165 G166 L167 V188F146-T163 VanDerWaalsContact O-CA 3.31Å; F146-T163 WeakPolarHBondContact O-CA 3.39Å; T163-N165 PolarHBondContact O-N 3.04Å; T163-G166 PolarHBondContact O-N 3.03Å; T163-G166 VanDerWaalsContact O-N 3.16Å; T163-L167 PolarHBondContact N-O 2.89Å; T163-L167 VanDerWaalsContact N-O 3.1Å; T163-L167 WeakPolarHBondContact OG1-CB 3.5Å; T163-L167 PolarHBondContact OG1-N 2.8Å; T163-L167 PolarHBondContact OG1-O 2.98Å; T163-V188 PolarHBondContact O-N 3.13Å
164I96.4Very high96.7Very high50 Ų5036.4 Ų36.426%0.25620%0.2SC..THydrogen-bonded Turntrans-59.8-27.2176.9-163.6173.7000113.7K145 F146 Y148 G166 P187K145-I164 HydrophobicContact CB-CG2 4.38Å; K145-I164 WeakPolarHBondContact O-CG2 3.43Å; K145-I164 PolarHBondContact O-N 2.93Å; F146-I164 HydrophobicContact CB-CB 3.9Å; F146-I164 HydrophobicContact CB-CD1 4.5Å; F146-I164 HydrophobicContact CB-CG2 3.93Å; F146-I164 HydrophobicContact CD2-CD1 4.12Å; F146-I164 HydrophobicContact CD2-CG2 3.95Å; F146-I164 HydrophobicContact CG-CD1 4.38Å; F146-I164 HydrophobicContact CG-CG2 4.38Å; F146-I164 PolarHBondContact O-N 2.93Å; F146-I164 VanDerWaalsContact O-N 3.09Å; Y148-I164 HydrophobicContact CD2-CB 4.28Å; Y148-I164 HydrophobicContact CE2-CB 3.57Å; Y148-I164 HydrophobicContact CE2-CD1 4.33Å; Y148-I164 HydrophobicContact CE2-CG1 3.69Å; Y148-I164 WeakPolarHBondContact OH-CD1 3.45Å; I164-G166 PolarHBondContact O-N 3.43Å; I164-P187 HydrophobicContact CG1-CB 4.47Å; I164-P187 HydrophobicContact CG1-CG 3.94Å; I164-P187 WeakPolarHBondContact O-CA 3.32Å; I164-P187 VanDerWaalsContact O-CG 3.28Å; I164-P187 WeakPolarHBondContact O-CG 3.3Å
165N94.9Very high96.5Very high94 Ų9437.5 Ų37.550%0.50320%0.204SC..THydrogen-bonded Turntrans-83.86.1-177.6-68.1-3.6000112.6T163 L167T163-N165 PolarHBondContact O-N 3.04Å; N165-L167 VanDerWaalsContact C-N 3.33Å; N165-L167 HydrophobicContact CB-CG 4.44Å
166G96.9Very high96.2Very high1 Ų134 Ų341%0.0120%0.195CC..SBendtrans85.31.8-178.100000114.6T163 I164 G183 H184 T186 V188T163-G166 PolarHBondContact O-N 3.03Å; T163-G166 VanDerWaalsContact O-N 3.16Å; I164-G166 PolarHBondContact O-N 3.43Å; G166-G183 CarbonylContact O-C 3.53Å; G166-H184 WeakPolarHBondContact CA-O 3.25Å; G166-H184 PolarHBondContact O-N 3.4Å; G166-T186 WeakPolarHBondContact CA-O 3.25Å; G166-V188 WeakPolarHBondContact O-CG2 3.36Å
167L97Very high96.1Very high50 Ų5036.1 Ų36.126%0.26221%0.206SC..  trans-75.6136.2-179.8-53.8175.7000111E143 T163 N165E143-L167 HydrophobicContact CB-CD1 3.87Å; T163-L167 PolarHBondContact N-O 2.89Å; T163-L167 VanDerWaalsContact N-O 3.1Å; T163-L167 WeakPolarHBondContact OG1-CB 3.5Å; T163-L167 PolarHBondContact OG1-N 2.8Å; T163-L167 PolarHBondContact OG1-O 2.98Å; N165-L167 VanDerWaalsContact C-N 3.33Å; N165-L167 HydrophobicContact CB-CG 4.44Å
168V98.2Very high96Very high0 Ų036.5 Ų36.50%021%0.207CC..EExtended strand (participates in β ladder)trans-112.5126.1165.6-1740000107.1A161 L181 V188 V191 L200 F212A161-V168 WeakPolarHBondContact O-CA 3.35Å; V168-L181 HydrophobicContact CB-CB 4.23Å; V168-L181 HydrophobicContact CB-CD1 4.39Å; V168-L181 HydrophobicContact CG1-CD1 3.81Å; V168-L181 HydrophobicContact CG1-CG 4.42Å; V168-L181 PolarHBondContact O-N 3.5Å; V168-V188 HydrophobicContact CG2-CG1 4.15Å; V168-V188 HydrophobicContact CG2-CG2 3.76Å; V168-V191 HydrophobicContact CG1-CG1 4.23Å; V168-L200 HydrophobicContact CG1-CD2 3.66Å; V168-F212 HydrophobicContact CG1-CE2 4.39Å; V168-F212 HydrophobicContact CG2-CE2 4.41Å; V168-F212 HydrophobicContact CG2-CZ 4.43Å
169S97.3Very high95.9Very high1 Ų136.9 Ų36.91%0.00721%0.21CC..EExtended strand (participates in β ladder)trans-128.8147.2-179.1-54.90000110.8A160 A161 Q179 F180A160-S169 CarbonylContact C-O 3.57Å; A160-S169 VanDerWaalsContact CA-O 3.22Å; A160-S169 WeakPolarHBondContact CA-O 3.27Å; A161-S169 PolarHBondContact N-O 2.95Å; A161-S169 PolarHBondContact O-N 3.45Å; S169-Q179 CarbonylContact C-O 3.54Å; S169-Q179 VanDerWaalsContact CA-O 3.31Å; S169-Q179 WeakPolarHBondContact CA-O 3.36Å; S169-F180 WeakPolarHBondContact OG-CD1 3.22Å
170I97.9Very high95.8Very high4 Ų440.9 Ų40.92%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-117.7118.6168-59.6175.1000107.2K158 A160 Q179 L181 F193 L200 V214K158-I170 HydrophobicContact CB-CG2 4.06Å; K158-I170 HydrophobicContact CD-CG2 4.06Å; K158-I170 HydrophobicContact CG-CG2 4.22Å; A160-I170 HydrophobicContact CB-CG1 4.47Å; I170-Q179 PolarHBondContact N-O 3.23Å; I170-Q179 PolarHBondContact O-N 2.93Å; I170-L181 HydrophobicContact CD1-CD1 3.99Å; I170-L181 HydrophobicContact CG1-CD1 4.18Å; I170-F193 HydrophobicContact CD1-CE1 4.26Å; I170-F193 HydrophobicContact CG1-CZ 4.38Å; I170-F193 HydrophobicContact CG2-CZ 4.25Å; I170-L200 HydrophobicContact CD1-CB 4.49Å; I170-L200 HydrophobicContact CD1-CD2 3.85Å; I170-L200 HydrophobicContact CG1-CD2 3.76Å; I170-V214 HydrophobicContact CD1-CB 4.45Å; I170-V214 HydrophobicContact CD1-CG1 4.19Å; I170-V214 HydrophobicContact CD1-CG2 4.3Å
171C96.9Very high95.7Very high4 Ų441.5 Ų41.53%0.02723%0.231CC..EExtended strand (participates in β ladder)trans-99.1131.6173.9-1770000110.1K158 L159 S177 V178K158-C171 CarbonylContact C-O 3.53Å; K158-C171 WeakPolarHBondContact CA-O 3.32Å; K158-C171 WeakPolarHBondContact CB-O 3.39Å; L159-C171 PolarHBondContact N-O 2.97Å; L159-C171 PolarHBondContact O-N 3.12Å; C171-S177 CarbonylContact C-O 3.52Å; C171-S177 WeakPolarHBondContact CA-O 3.24Å; C171-S177 PolarHBondContact SG-O 2.84Å; C171-V178 HydrophobicContact CB-CG2 4.34Å
172D95.3Very high95.5Very high26 Ų2646.9 Ų46.914%0.13926%0.259CS..EExtended strand (participates in β ladder)trans-85.3117167.7-174.9-84.5000109.3K158 E174 T175 G176 S177K158-D172 HydrophobicContact CG-CB 4.49Å; K158-D172 IonicContact NZ-OD2 3.76Å; K158-D172 PolarHBondContact NZ-OD2 3.4Å; D172-E174 VanDerWaalsContact C-N 3.32Å; D172-E174 PolarHBondContact O-N 2.82Å; D172-E174 PolarHBondContact OD1-N 2.88Å; D172-T175 WeakPolarHBondContact CB-OG1 3.15Å; D172-T175 VanDerWaalsContact CG-OG1 3.3Å; D172-T175 WeakPolarHBondContact OD1-CB 3.34Å; D172-T175 WeakPolarHBondContact OD1-CG2 3.47Å; D172-T175 PolarHBondContact OD1-N 2.68Å; D172-T175 PolarHBondContact OD1-OG1 3.16Å; D172-G176 WeakPolarHBondContact O-CA 3.34Å; D172-G176 PolarHBondContact O-N 2.89Å; D172-S177 PolarHBondContact N-O 2.9Å
173L94.6Very high95.2Very high51 Ų5147.5 Ų47.527%0.26727%0.265SS..THydrogen-bonded Turntrans-79-16.8-169.7-63177.9000113.2I140 Y152 G156 S157 L159I140-L173 HydrophobicContact CD1-CD2 3.43Å; I140-L173 VanDerWaalsContact CD1-CD2 3.43Å; Y152-L173 HydrophobicContact CD1-CD1 4.01Å; Y152-L173 HydrophobicContact CE1-CD1 3.51Å; G156-L173 WeakPolarHBondContact O-CD1 3.4Å; S157-L173 WeakPolarHBondContact O-CB 3.36Å; S157-L173 PolarHBondContact O-N 2.85Å; L159-L173 HydrophobicContact CB-CD1 4.22Å; L159-L173 HydrophobicContact CB-CD2 4.01Å; L159-L173 HydrophobicContact CB-CG 4.3Å
174E92.3Very high95.2Very high178 Ų17848.3 Ų48.383%0.83227%0.269SS*.THydrogen-bonded Turntrans-80.5-47.5174.8-177.6177.7179.600110.8D172D172-E174 VanDerWaalsContact C-N 3.32Å; D172-E174 PolarHBondContact O-N 2.82Å; D172-E174 PolarHBondContact OD1-N 2.88Å
175T92.9Very high95.2Very high95 Ų9550.4 Ų50.458%0.58329%0.294SS*.THydrogen-bonded Turntrans-91.1-18.3-176.161.60000113.7D172 S177D172-T175 WeakPolarHBondContact CB-OG1 3.15Å; D172-T175 VanDerWaalsContact CG-OG1 3.3Å; D172-T175 WeakPolarHBondContact OD1-CB 3.34Å; D172-T175 WeakPolarHBondContact OD1-CG2 3.47Å; D172-T175 PolarHBondContact OD1-N 2.68Å; D172-T175 PolarHBondContact OD1-OG1 3.16Å; T175-S177 PolarHBondContact O-N 3.33Å; T175-S177 WeakPolarHBondContact OG1-CB 3.47Å; T175-S177 PolarHBondContact OG1-N 2.88Å; T175-S177 PolarHBondContact OG1-OG 3.46Å
176G89.6Confident95.4Very high43 Ų4348.2 Ų48.244%0.44328%0.284SS..  trans716.7-171.300000113.9D172D172-G176 WeakPolarHBondContact O-CA 3.34Å; D172-G176 PolarHBondContact O-N 2.89Å
177S93.7Very high95.4Very high68 Ų6849.3 Ų49.348%0.47629%0.291SS..  trans-71.3145.5179.263.70000111C171 D172 T175C171-S177 CarbonylContact C-O 3.52Å; C171-S177 WeakPolarHBondContact CA-O 3.24Å; C171-S177 PolarHBondContact SG-O 2.84Å; D172-S177 PolarHBondContact N-O 2.9Å; T175-S177 PolarHBondContact O-N 3.33Å; T175-S177 WeakPolarHBondContact OG1-CB 3.47Å; T175-S177 PolarHBondContact OG1-N 2.88Å; T175-S177 PolarHBondContact OG1-OG 3.46Å
178V95.3Very high95.5Very high41 Ų4147 Ų4725%0.24828%0.278CS..EExtended strand (participates in β ladder)trans-120.5123.1179.9-175.10000109I140 L142 C171 F180I140-V178 HydrophobicContact CG2-CG2 4.31Å; L142-V178 HydrophobicContact CD2-CG1 4.19Å; L142-V178 HydrophobicContact CD2-CG2 4.29Å; C171-V178 HydrophobicContact CB-CG2 4.34Å; V178-F180 HydrophobicContact CB-CE2 4.39Å; V178-F180 HydrophobicContact CB-CZ 4.06Å; V178-F180 HydrophobicContact CG1-CD1 4.18Å; V178-F180 HydrophobicContact CG1-CE1 3.58Å; V178-F180 HydrophobicContact CG1-CE2 4.15Å; V178-F180 HydrophobicContact CG1-CZ 3.56Å
179Q95.8Very high95.5Very high61 Ų6149.3 Ų49.329%0.28529%0.287SS..EExtended strand (participates in β ladder)trans-99.1118.2172.5-175-176.317.700109.2S169 I170 L181 D216 G217S169-Q179 CarbonylContact C-O 3.54Å; S169-Q179 VanDerWaalsContact CA-O 3.31Å; S169-Q179 WeakPolarHBondContact CA-O 3.36Å; I170-Q179 PolarHBondContact N-O 3.23Å; I170-Q179 PolarHBondContact O-N 2.93Å; Q179-L181 HydrophobicContact CG-CD2 3.98Å; Q179-D216 PolarHBondContact NE2-O 2.82Å; Q179-G217 VanDerWaalsContact NE2-CA 3.29Å; Q179-G217 VanDerWaalsContact NE2-N 3.14Å
180F95.3Very high95.5Very high88 Ų8849.4 Ų49.439%0.38629%0.288SS..EExtended strand (participates in β ladder)trans-90.3130.9174.8-56.8-74000110.3E143 S169 V178E143-F180 HydrophobicContact CB-CD1 4.41Å; E143-F180 HydrophobicContact CB-CE1 3.6Å; E143-F180 HydrophobicContact CB-CZ 3.99Å; E143-F180 VanDerWaalsContact CD-CZ 3.43Å; E143-F180 HydrophobicContact CG-CE1 3.64Å; E143-F180 HydrophobicContact CG-CE2 4.3Å; E143-F180 HydrophobicContact CG-CZ 3.45Å; E143-F180 VanDerWaalsContact CG-CZ 3.45Å; S169-F180 WeakPolarHBondContact OG-CD1 3.22Å; V178-F180 HydrophobicContact CB-CE2 4.39Å; V178-F180 HydrophobicContact CB-CZ 4.06Å; V178-F180 HydrophobicContact CG1-CD1 4.18Å; V178-F180 HydrophobicContact CG1-CE1 3.58Å; V178-F180 HydrophobicContact CG1-CE2 4.15Å; V178-F180 HydrophobicContact CG1-CZ 3.56Å
181L96.8Very high95.6Very high14 Ų1449.5 Ų49.57%0.07329%0.288CS..EExtended strand (participates in β ladder)trans-102158.4-179.9-47.3-175.3000110.6V168 I170 Q179 G183 L200 F212 G217V168-L181 HydrophobicContact CB-CB 4.23Å; V168-L181 HydrophobicContact CB-CD1 4.39Å; V168-L181 HydrophobicContact CG1-CD1 3.81Å; V168-L181 HydrophobicContact CG1-CG 4.42Å; V168-L181 PolarHBondContact O-N 3.5Å; I170-L181 HydrophobicContact CD1-CD1 3.99Å; I170-L181 HydrophobicContact CG1-CD1 4.18Å; Q179-L181 HydrophobicContact CG-CD2 3.98Å; L181-G183 PolarHBondContact O-N 3.14Å; L181-L200 HydrophobicContact CD1-CD2 3.85Å; L181-F212 HydrophobicContact CB-CD1 3.88Å; L181-F212 HydrophobicContact CB-CE1 3.72Å; L181-F212 HydrophobicContact CB-CZ 4.26Å; L181-F212 HydrophobicContact CD1-CB 3.91Å; L181-F212 HydrophobicContact CD1-CD1 3.81Å; L181-F212 HydrophobicContact CD1-CD2 3.9Å; L181-F212 HydrophobicContact CD1-CE1 4.26Å; L181-F212 HydrophobicContact CD1-CE2 4.36Å; L181-F212 HydrophobicContact CD1-CG 3.61Å; L181-F212 HydrophobicContact CG-CD1 4.38Å; L181-G217 VanDerWaalsContact CD2-CA 3.46Å
182D93.2Very high95.7Very high115 Ų11549.8 Ų49.862%0.61529%0.291SS*.  trans-70.777172.4-176.934.5000110.7K210 F212 L219D182-K210 PolarHBondContact O-NZ 2.8Å; D182-F212 WeakPolarHBondContact O-CE1 3.33Å; D182-L219 HydrophobicContact CB-CD1 4.14Å; D182-L219 WeakPolarHBondContact OD2-CD1 3.32Å
183G92.3Very high95.8Very high13 Ų1349.2 Ų49.213%0.13429%0.287CS..  trans-71.1-135.8-169.900000114G166 L181 K210G166-G183 CarbonylContact O-C 3.53Å; L181-G183 PolarHBondContact O-N 3.14Å; G183-K210 WeakPolarHBondContact O-CD 3.5Å; G183-K210 WeakPolarHBondContact O-CE 3.35Å; G183-K210 PolarHBondContact O-NZ 3Å
184H97.9Very high96Very high18 Ų1846.9 Ų46.98%0.08328%0.275CS..  trans-115.3160.8-169.9-70-96.4000111.9G166 T186 V188 S202 S204 D206G166-H184 WeakPolarHBondContact CA-O 3.25Å; G166-H184 PolarHBondContact O-N 3.4Å; H184-T186 WeakPolarHBondContact CB-O 3.3Å; H184-T186 PolarHBondContact O-N 3.47Å; H184-V188 HydrophobicContact CB-CG2 4.08Å; H184-S202 PolarHBondContact CD2-OG 2.78Å; H184-S202 PolarHBondContact NE2-OG 2.82Å; H184-S204 WeakPolarHBondContact CB-OG 3.43Å; H184-S204 WeakPolarHBondContact ND1-CB 3.34Å; H184-D206 WeakPolarHBondContact CB-OD2 3.43Å; H184-D206 IonicContact CE1-OD1 3.99Å; H184-D206 IonicContact CE1-OD2 3.87Å; H184-D206 IonicContact CG-OD2 2.66Å; H184-D206 VanDerWaalsContact ND1-CG 3.34Å; H184-D206 IonicContact ND1-OD1 3.4Å; H184-D206 PolarHBondContact ND1-OD1 3.18Å; H184-D206 IonicContact ND1-OD2 3.1Å; H184-D206 PolarHBondContact ND1-OD2 3.43Å
185A95.8Very high96.2Very high94 Ų9441 Ų4178%0.77725%0.252SS*.SBendtrans-77.4-13.3176.900000113.1
186T97.8Very high96.4Very high48 Ų4839.7 Ų39.729%0.29424%0.241SC..SBendtrans-143.2173.1-17368.10000108.7G166 H184 V188 S204 D205 D206G166-T186 WeakPolarHBondContact CA-O 3.25Å; H184-T186 WeakPolarHBondContact CB-O 3.3Å; H184-T186 PolarHBondContact O-N 3.47Å; T186-V188 PolarHBondContact O-N 3.27Å; T186-S204 PolarHBondContact O-OG 3.29Å; T186-S204 PolarHBondContact OG1-OG 3.11Å; T186-D205 VanDerWaalsContact OG1-C 3.29Å; T186-D206 HydrophobicContact CG2-CB 4.16Å; T186-D206 WeakPolarHBondContact OG1-CA 3.31Å; T186-D206 VanDerWaalsContact OG1-CB 3.29Å; T186-D206 WeakPolarHBondContact OG1-CB 3.29Å; T186-D206 PolarHBondContact OG1-N 3.45Å
187P97.9Very high96.8Very high24 Ų2438.1 Ų38.116%0.15623%0.226CC..  trans-46.6130.7-174.3-32.335.6000115.9Y148 I164 R189 S204 D205Y148-P187 HydrophobicContact CD2-CB 4.25Å; Y148-P187 HydrophobicContact CE2-CB 3.92Å; I164-P187 HydrophobicContact CG1-CB 4.47Å; I164-P187 HydrophobicContact CG1-CG 3.94Å; I164-P187 WeakPolarHBondContact O-CA 3.32Å; I164-P187 VanDerWaalsContact O-CG 3.28Å; I164-P187 WeakPolarHBondContact O-CG 3.3Å; P187-R189 PolarHBondContact O-N 3Å; P187-S204 VanDerWaalsContact O-CA 3.24Å; P187-S204 WeakPolarHBondContact O-CA 3.4Å; P187-S204 WeakPolarHBondContact O-CB 3.43Å; P187-S204 PolarHBondContact O-OG 3.28Å; P187-D205 HydrophobicContact CB-CB 4.47Å; P187-D205 PolarHBondContact O-N 3.16Å
188V98.5Very high97Very high0 Ų042.7 Ų42.70%023%0.232CC..EExtended strand (participates in β ladder)trans-84.9108.5168.7-175.50000108.4Y148 T163 G166 V168 H184 T186 V191 A203Y148-V188 WeakPolarHBondContact CB-O 3.14Å; T163-V188 PolarHBondContact O-N 3.13Å; G166-V188 WeakPolarHBondContact O-CG2 3.36Å; V168-V188 HydrophobicContact CG2-CG1 4.15Å; V168-V188 HydrophobicContact CG2-CG2 3.76Å; H184-V188 HydrophobicContact CB-CG2 4.08Å; T186-V188 PolarHBondContact O-N 3.27Å; V188-V191 HydrophobicContact CG1-CG1 3.9Å; V188-A203 CarbonylContact C-O 3.54Å
189R98.1Very high97.2Very high50 Ų5042.5 Ų42.519%0.18923%0.23CC..EExtended strand (participates in β ladder)trans-81.9-32.3-175.5-69.4-83.1-179.6-159.9-6.7113S149 P187 A203 D205 V232S149-R189 WeakPolarHBondContact CB-O 3.45Å; P187-R189 PolarHBondContact O-N 3Å; R189-A203 PolarHBondContact N-O 3Å; R189-D205 VanDerWaalsContact CG-OD1 3.22Å; R189-D205 WeakPolarHBondContact CG-OD1 3.19Å; R189-D205 IonicContact CZ-OD1 3.58Å; R189-D205 IonicContact CZ-OD2 3.47Å; R189-D205 IonicContact NE-OD1 3.33Å; R189-D205 PolarHBondContact NE-OD1 2.91Å; R189-D205 IonicContact NE-OD2 3.74Å; R189-D205 PolarHBondContact NE-OD2 3.05Å; R189-D205 IonicContact NH2-OD1 3.97Å; R189-D205 PolarHBondContact NH2-OD1 3.04Å; R189-D205 IonicContact NH2-OD2 2.73Å; R189-D205 PolarHBondContact NH2-OD2 2.99Å; R189-V232 HydrophobicContact CB-CB 4.36Å; R189-V232 HydrophobicContact CG-CB 4.41Å; R189-V232 HydrophobicContact CG-CG1 4.12Å
190S98.5Very high97.3Very high2 Ų239.6 Ų39.61%0.01422%0.216CC..EExtended strand (participates in β ladder)trans-150.2141.1-174.5-174.60000111.2S149 S202 A203 V232 V234S149-S190 WeakPolarHBondContact OG-CA 3.27Å; S190-S202 CarbonylContact O-C 3.58Å; S190-S202 WeakPolarHBondContact O-CA 3.48Å; S190-A203 PolarHBondContact N-O 3.49Å; S190-A203 PolarHBondContact O-N 3.18Å; S190-V232 WeakPolarHBondContact CB-O 3.33Å; S190-V234 PolarHBondContact OG-N 2.96Å; S190-V234 VanDerWaalsContact OG-N 3.07Å; S190-V234 PolarHBondContact OG-O 3.42Å
191V98.7Very high97.5Very high6 Ų635.4 Ų35.44%0.03620%0.198CC..EExtended strand (participates in β ladder)trans-126.4149.5168.7-660000110.1S149 A151 A160 V168 V188 L200 A201S149-V191 PolarHBondContact OG-N 3.47Å; A151-V191 HydrophobicContact CB-CG2 4.11Å; A160-V191 HydrophobicContact CB-CB 4.48Å; A160-V191 HydrophobicContact CB-CG2 4.08Å; V168-V191 HydrophobicContact CG1-CG1 4.23Å; V188-V191 HydrophobicContact CG1-CG1 3.9Å; V191-L200 HydrophobicContact CB-CD1 4.22Å; V191-A201 CarbonylContact C-O 3.58Å; V191-A201 VanDerWaalsContact CA-O 3.25Å; V191-A201 WeakPolarHBondContact CA-O 3.45Å
192S98.6Very high97.6Very high11 Ų1134.8 Ų34.88%0.07720%0.195CC..EExtended strand (participates in β ladder)trans-152.3132.6176.1-179.70000110.8A201 D235 F236S192-A201 PolarHBondContact N-O 2.86Å; S192-A201 PolarHBondContact O-N 3.5Å; S192-D235 PolarHBondContact OG-OD1 3.35Å; S192-F236 WeakPolarHBondContact O-CD2 3.3Å; S192-F236 VanDerWaalsContact O-CE2 3.32Å; S192-F236 WeakPolarHBondContact O-CE2 3.44Å; S192-F236 PolarHBondContact OG-N 3.32Å
193F98.7Very high97.9Very high14 Ų1429.3 Ų29.36%0.06117%0.165CC..EExtended strand (participates in β ladder)trans-82.7148.1174.3-78-74.5000111.2A151 Y152 I153 A160 I170 L199 L200 V214 F236A151-F193 HydrophobicContact CB-CD2 4.17Å; A151-F193 VanDerWaalsContact O-CE2 3.29Å; A151-F193 WeakPolarHBondContact O-CE2 3.43Å; Y152-F193 VanDerWaalsContact C-CD2 3.49Å; Y152-F193 WeakPolarHBondContact O-CD2 3.41Å; I153-F193 HydrophobicContact CB-CD2 4.1Å; I153-F193 HydrophobicContact CB-CE2 4.07Å; I153-F193 HydrophobicContact CB-CG 4.31Å; I153-F193 HydrophobicContact CB-CZ 4.29Å; I153-F193 HydrophobicContact CD1-CE1 4.49Å; I153-F193 HydrophobicContact CG1-CD1 4.33Å; I153-F193 HydrophobicContact CG1-CG 4.38Å; A160-F193 HydrophobicContact CB-CD2 4.22Å; A160-F193 HydrophobicContact CB-CE1 4.47Å; A160-F193 HydrophobicContact CB-CE2 3.4Å; A160-F193 HydrophobicContact CB-CZ 3.55Å; I170-F193 HydrophobicContact CD1-CE1 4.26Å; I170-F193 HydrophobicContact CG1-CZ 4.38Å; I170-F193 HydrophobicContact CG2-CZ 4.25Å; F193-L199 CarbonylContact C-O 3.6Å; F193-L199 WeakPolarHBondContact CA-O 3.04Å; F193-L200 HydrophobicContact CD1-CB 4.15Å; F193-L200 HydrophobicContact CD1-CD1 3.82Å; F193-L200 HydrophobicContact CD2-CD1 4.17Å; F193-L200 HydrophobicContact CE1-CB 4.17Å; F193-L200 HydrophobicContact CE1-CD1 3.9Å; F193-L200 HydrophobicContact CE1-CG 4.49Å; F193-L200 HydrophobicContact CE2-CD1 4.26Å; F193-L200 HydrophobicContact CG-CD1 3.97Å; F193-L200 HydrophobicContact CZ-CD1 4.13Å; F193-V214 HydrophobicContact CD1-CG2 3.77Å; F193-V214 HydrophobicContact CE1-CG1 4.05Å; F193-V214 HydrophobicContact CE1-CG2 3.6Å; F193-F236 WeakPolarHBondContact O-CD2 3.36Å
194S98.3Very high98.2Very high1 Ų128.7 Ų28.71%0.00716%0.159CC..  trans-65.1146.5164.6620000110.2D196 G197 R198 L199S194-D196 WeakPolarHBondContact CB-OD1 3.39Å; S194-D196 PolarHBondContact O-N 3.21Å; S194-D196 VanDerWaalsContact O-N 3.15Å; S194-D196 PolarHBondContact OG-OD1 2.97Å; S194-G197 WeakPolarHBondContact O-CA 3.16Å; S194-G197 PolarHBondContact O-N 3.36Å; S194-R198 PolarHBondContact OG-N 2.89Å; S194-L199 PolarHBondContact N-O 3.11Å; S194-L199 PolarHBondContact OG-N 2.88Å; S194-L199 PolarHBondContact OG-O 3.15Å
195P97.1Very high98.2Very high54 Ų5428.6 Ų28.635%0.35116%0.159SC..THydrogen-bonded Turntrans-51-36.1176.8-26.325.4000115S154 G197 A237 N240S154-P195 PolarHBondContact OG-O 2.83Å; S154-P195 VanDerWaalsContact OG-O 3.04Å; P195-G197 PolarHBondContact O-N 3.1Å; P195-A237 WeakPolarHBondContact CG-O 3.29Å; P195-N240 WeakPolarHBondContact CB-OD1 3.36Å; P195-N240 WeakPolarHBondContact CD-OD1 3.11Å; P195-N240 WeakPolarHBondContact CG-OD1 3.38Å; P195-N240 VanDerWaalsContact N-OD1 3.08Å
196D97.5Very high98.3Very high68 Ų6826 Ų2636%0.36413%0.132SC..THydrogen-bonded Turntrans-78.5-2.1176.776-8.1000114.2S194 R198 N240S194-D196 WeakPolarHBondContact CB-OD1 3.39Å; S194-D196 PolarHBondContact O-N 3.21Å; S194-D196 VanDerWaalsContact O-N 3.15Å; S194-D196 PolarHBondContact OG-OD1 2.97Å; D196-R198 PolarHBondContact O-N 2.93Å; D196-R198 WeakPolarHBondContact OD1-CB 3.27Å; D196-R198 PolarHBondContact OD1-N 3.42Å; D196-R198 VanDerWaalsContact OD2-CD 3.29Å; D196-R198 WeakPolarHBondContact OD2-CD 3.27Å; D196-R198 IonicContact OD2-NE 2.72Å; D196-R198 IonicContact OD2-NH1 2.95Å; D196-N240 PolarHBondContact N-OD1 3Å; D196-N240 PolarHBondContact OD1-OD1 3.3Å
197G97.8Very high98.3Very high11 Ų1128.1 Ų28.111%0.11314%0.137CC..SBendtrans71.88.1177.100000115S194 P195 V214S194-G197 WeakPolarHBondContact O-CA 3.16Å; S194-G197 PolarHBondContact O-N 3.36Å; P195-G197 PolarHBondContact O-N 3.1Å; G197-V214 WeakPolarHBondContact O-CB 3.36Å; G197-V214 WeakPolarHBondContact O-CG2 3.49Å
198R98.2Very high98.3Very high163 Ų16329.1 Ų29.162%0.61514%0.14SC*.SBendtrans-87.8-27.1-174.7-64.1-174.3179.6159-3.7114S194 D196 V214S194-R198 PolarHBondContact OG-N 2.89Å; D196-R198 PolarHBondContact O-N 2.93Å; D196-R198 WeakPolarHBondContact OD1-CB 3.27Å; D196-R198 PolarHBondContact OD1-N 3.42Å; D196-R198 VanDerWaalsContact OD2-CD 3.29Å; D196-R198 WeakPolarHBondContact OD2-CD 3.27Å; D196-R198 IonicContact OD2-NE 2.72Å; D196-R198 IonicContact OD2-NH1 2.95Å; R198-V214 PolarHBondContact O-N 3.21Å
199L98.5Very high98.3Very high38 Ų3829.1 Ų29.120%0.19914%0.14CC..EExtended strand (participates in β ladder)trans-121.2147.2-176.6-59.2176.7000110.9F193 S194 V211 F212 V220 F236 L257F193-L199 CarbonylContact C-O 3.6Å; F193-L199 WeakPolarHBondContact CA-O 3.04Å; S194-L199 PolarHBondContact N-O 3.11Å; S194-L199 PolarHBondContact OG-N 2.88Å; S194-L199 PolarHBondContact OG-O 3.15Å; L199-V211 HydrophobicContact CB-CG1 3.98Å; L199-V211 HydrophobicContact CD1-CG1 4.2Å; L199-V211 HydrophobicContact CD2-CG1 4.24Å; L199-V211 HydrophobicContact CG-CG1 4.37Å; L199-F212 VanDerWaalsContact CA-O 3.25Å; L199-F212 WeakPolarHBondContact CA-O 3.14Å; L199-V220 HydrophobicContact CD2-CG2 4.29Å; L199-F236 HydrophobicContact CB-CE1 4.48Å; L199-F236 HydrophobicContact CB-CZ 3.81Å; L199-F236 HydrophobicContact CD1-CZ 4.48Å; L199-L257 HydrophobicContact CD1-CD1 4.19Å
200L98.7Very high98.4Very high0 Ų028.1 Ų28.10%014%0.137CC..EExtended strand (participates in β ladder)trans-120.8129.3167.8178.870.3000108A160 V168 I170 L181 V191 F193 V211 F212 V214A160-L200 HydrophobicContact CB-CD1 3.53Å; A160-L200 HydrophobicContact CB-CD2 3.85Å; A160-L200 HydrophobicContact CB-CG 4.38Å; V168-L200 HydrophobicContact CG1-CD2 3.66Å; I170-L200 HydrophobicContact CD1-CB 4.49Å; I170-L200 HydrophobicContact CD1-CD2 3.85Å; I170-L200 HydrophobicContact CG1-CD2 3.76Å; L181-L200 HydrophobicContact CD1-CD2 3.85Å; V191-L200 HydrophobicContact CB-CD1 4.22Å; F193-L200 HydrophobicContact CD1-CB 4.15Å; F193-L200 HydrophobicContact CD1-CD1 3.82Å; F193-L200 HydrophobicContact CD2-CD1 4.17Å; F193-L200 HydrophobicContact CE1-CB 4.17Å; F193-L200 HydrophobicContact CE1-CD1 3.9Å; F193-L200 HydrophobicContact CE1-CG 4.49Å; F193-L200 HydrophobicContact CE2-CD1 4.26Å; F193-L200 HydrophobicContact CG-CD1 3.97Å; F193-L200 HydrophobicContact CZ-CD1 4.13Å; L200-V211 CarbonylContact O-C 3.55Å; L200-V211 VanDerWaalsContact O-CA 3.27Å; L200-V211 WeakPolarHBondContact O-CA 3.46Å; L200-F212 PolarHBondContact N-O 3.39Å; L200-F212 WeakPolarHBondContact O-CD2 3.41Å; L200-F212 PolarHBondContact O-N 2.95Å; L200-V214 HydrophobicContact CB-CG2 4.06Å
201A98.8Very high98.4Very high0 Ų028 Ų280%014%0.136CC..EExtended strand (participates in β ladder)trans-103.1144.2170.600000109.9V191 S192 K210 V211 V234 F236 L243V191-A201 CarbonylContact C-O 3.58Å; V191-A201 VanDerWaalsContact CA-O 3.25Å; V191-A201 WeakPolarHBondContact CA-O 3.45Å; S192-A201 PolarHBondContact N-O 2.86Å; S192-A201 PolarHBondContact O-N 3.5Å; A201-K210 CarbonylContact C-O 3.48Å; A201-K210 VanDerWaalsContact CA-O 3.28Å; A201-K210 WeakPolarHBondContact CA-O 3.48Å; A201-V211 HydrophobicContact CB-CG2 4.33Å; A201-V234 HydrophobicContact CB-CG1 4.42Å; A201-V234 HydrophobicContact CB-CG2 3.82Å; A201-F236 HydrophobicContact CB-CD2 4.22Å; A201-F236 HydrophobicContact CB-CE2 3.52Å; A201-F236 HydrophobicContact CB-CZ 4.16Å; A201-L243 HydrophobicContact CB-CD1 3.82Å; A201-L243 HydrophobicContact CB-CD2 3.95Å
202S98.8Very high98.4Very high0 Ų027.8 Ų27.80%014%0.135CC..EExtended strand (participates in β ladder)trans-131.7141.6172.861.80000111H184 S190 I209 K210 F212H184-S202 PolarHBondContact CD2-OG 2.78Å; H184-S202 PolarHBondContact NE2-OG 2.82Å; S190-S202 CarbonylContact O-C 3.58Å; S190-S202 WeakPolarHBondContact O-CA 3.48Å; S202-I209 CarbonylContact O-C 3.56Å; S202-I209 WeakPolarHBondContact O-CA 3.36Å; S202-I209 WeakPolarHBondContact O-CG2 3.28Å; S202-K210 PolarHBondContact N-O 2.85Å; S202-K210 PolarHBondContact O-N 2.89Å; S202-F212 WeakPolarHBondContact OG-CE2 3.46Å
203A98.7Very high98.3Very high0 Ų027.8 Ų27.80%013%0.134CC..EExtended strand (participates in β ladder)trans-121142.1177.600000110.7V188 R189 S190 I209 V231 V234V188-A203 CarbonylContact C-O 3.54Å; R189-A203 PolarHBondContact N-O 3Å; S190-A203 PolarHBondContact N-O 3.49Å; S190-A203 PolarHBondContact O-N 3.18Å; A203-I209 HydrophobicContact CB-CG1 4.45Å; A203-V231 CarbonylContact C-O 3.47Å; A203-V231 HydrophobicContact CB-CB 3.88Å; A203-V231 HydrophobicContact CB-CG1 3.56Å; A203-V234 HydrophobicContact CB-CB 3.9Å; A203-V234 HydrophobicContact CB-CG1 3.93Å
204S98.7Very high98.3Very high0 Ų027.5 Ų27.50%013%0.133CC..EExtended strand (participates in β ladder)trans-142.9161-168.6170.10000114.5H184 T186 P187 D206 K207 Q208 V231H184-S204 WeakPolarHBondContact CB-OG 3.43Å; H184-S204 WeakPolarHBondContact ND1-CB 3.34Å; T186-S204 PolarHBondContact O-OG 3.29Å; T186-S204 PolarHBondContact OG1-OG 3.11Å; P187-S204 VanDerWaalsContact O-CA 3.24Å; P187-S204 WeakPolarHBondContact O-CA 3.4Å; P187-S204 WeakPolarHBondContact O-CB 3.43Å; P187-S204 PolarHBondContact O-OG 3.28Å; S204-D206 WeakPolarHBondContact CB-OD1 3.25Å; S204-D206 PolarHBondContact O-N 3Å; S204-D206 VanDerWaalsContact OG-CG 3.28Å; S204-D206 PolarHBondContact OG-N 2.92Å; S204-D206 VanDerWaalsContact OG-N 3.15Å; S204-D206 PolarHBondContact OG-OD1 3.46Å; S204-K207 PolarHBondContact O-N 2.82Å; S204-K207 VanDerWaalsContact O-N 3.08Å; S204-Q208 PolarHBondContact N-O 2.9Å; S204-V231 CarbonylContact C-O 3.53Å; S204-V231 PolarHBondContact N-O 2.71Å; S204-V231 PolarHBondContact O-N 2.98Å
205D98.6Very high98.2Very high17 Ų1736.4 Ų36.49%0.09117%0.167CC..THydrogen-bonded Turntrans-62.5-15.4170.6-73.30.6000112.9T186 P187 R189 K207 W230T186-D205 VanDerWaalsContact OG1-C 3.29Å; P187-D205 HydrophobicContact CB-CB 4.47Å; P187-D205 PolarHBondContact O-N 3.16Å; R189-D205 VanDerWaalsContact CG-OD1 3.22Å; R189-D205 WeakPolarHBondContact CG-OD1 3.19Å; R189-D205 IonicContact CZ-OD1 3.58Å; R189-D205 IonicContact CZ-OD2 3.47Å; R189-D205 IonicContact NE-OD1 3.33Å; R189-D205 PolarHBondContact NE-OD1 2.91Å; R189-D205 IonicContact NE-OD2 3.74Å; R189-D205 PolarHBondContact NE-OD2 3.05Å; R189-D205 IonicContact NH2-OD1 3.97Å; R189-D205 PolarHBondContact NH2-OD1 3.04Å; R189-D205 IonicContact NH2-OD2 2.73Å; R189-D205 PolarHBondContact NH2-OD2 2.99Å; D205-K207 PolarHBondContact O-N 3.08Å; D205-K207 VanDerWaalsContact O-N 3.16Å; D205-W230 HydrophobicContact CB-CB 4.4Å; D205-W230 HydrophobicContact CB-CD2 4.23Å; D205-W230 HydrophobicContact CB-CG 3.91Å; D205-W230 WeakPolarHBondContact OD1-CB 3.29Å
206D98.1Very high98.2Very high40 Ų4037.7 Ų37.721%0.21417%0.171CC..THydrogen-bonded Turntrans-74.44.5172.666.610.8000112.5H184 T186 S204 Q208H184-D206 WeakPolarHBondContact CB-OD2 3.43Å; H184-D206 IonicContact CE1-OD1 3.99Å; H184-D206 IonicContact CE1-OD2 3.87Å; H184-D206 IonicContact CG-OD2 2.66Å; H184-D206 VanDerWaalsContact ND1-CG 3.34Å; H184-D206 IonicContact ND1-OD1 3.4Å; H184-D206 PolarHBondContact ND1-OD1 3.18Å; H184-D206 IonicContact ND1-OD2 3.1Å; H184-D206 PolarHBondContact ND1-OD2 3.43Å; T186-D206 HydrophobicContact CG2-CB 4.16Å; T186-D206 WeakPolarHBondContact OG1-CA 3.31Å; T186-D206 VanDerWaalsContact OG1-CB 3.29Å; T186-D206 WeakPolarHBondContact OG1-CB 3.29Å; T186-D206 PolarHBondContact OG1-N 3.45Å; S204-D206 WeakPolarHBondContact CB-OD1 3.25Å; S204-D206 PolarHBondContact O-N 3Å; S204-D206 VanDerWaalsContact OG-CG 3.28Å; S204-D206 PolarHBondContact OG-N 2.92Å; S204-D206 VanDerWaalsContact OG-N 3.15Å; S204-D206 PolarHBondContact OG-OD1 3.46Å; D206-Q208 PolarHBondContact O-N 3.5Å; D206-Q208 WeakPolarHBondContact OD1-CB 3.48Å; D206-Q208 PolarHBondContact OD1-N 3.31Å
207K98.3Very high98.2Very high92 Ų9235 Ų3540%0.416%0.159SC..SBendtrans72.612.5177.3-39-178.1-179.8-169.80113S204 D205 K228 G229S204-K207 PolarHBondContact O-N 2.82Å; S204-K207 VanDerWaalsContact O-N 3.08Å; D205-K207 PolarHBondContact O-N 3.08Å; D205-K207 VanDerWaalsContact O-N 3.16Å; K207-K228 WeakPolarHBondContact CD-O 3.35Å; K207-K228 WeakPolarHBondContact CE-O 3.17Å; K207-K228 PolarHBondContact NZ-O 2.88Å; K207-G229 VanDerWaalsContact CB-O 3.28Å; K207-G229 WeakPolarHBondContact CB-O 3.42Å; K207-G229 VanDerWaalsContact CG-O 3.24Å; K207-G229 WeakPolarHBondContact CG-O 3.47Å
208Q97.7Very high98.2Very high44 Ų4441.1 Ų41.121%0.20618%0.179CC..  trans-109.3153.7-175.8-58.9-62.7-30.700112.2S204 D206 S223 N225S204-Q208 PolarHBondContact N-O 2.9Å; D206-Q208 PolarHBondContact O-N 3.5Å; D206-Q208 WeakPolarHBondContact OD1-CB 3.48Å; D206-Q208 PolarHBondContact OD1-N 3.31Å; Q208-S223 PolarHBondContact OE1-OG 2.98Å; Q208-N225 PolarHBondContact NE2-OD1 3.39Å; Q208-N225 PolarHBondContact OE1-OD1 2.87Å
209I98.6Very high98.1Very high0 Ų036 Ų360%016%0.164CC..EExtended strand (participates in β ladder)trans-114.3129.2162.2-5499.6000108.2S202 A203 S223 L224 V231 V234 L243 T245 W255S202-I209 CarbonylContact O-C 3.56Å; S202-I209 WeakPolarHBondContact O-CA 3.36Å; S202-I209 WeakPolarHBondContact O-CG2 3.28Å; A203-I209 HydrophobicContact CB-CG1 4.45Å; I209-S223 CarbonylContact O-C 3.54Å; I209-S223 WeakPolarHBondContact O-CA 3.3Å; I209-L224 HydrophobicContact CB-CB 4.2Å; I209-L224 HydrophobicContact CB-CD1 4.2Å; I209-L224 HydrophobicContact CD1-CB 4.26Å; I209-L224 HydrophobicContact CG2-CD1 4.12Å; I209-L224 PolarHBondContact O-N 2.79Å; I209-L224 VanDerWaalsContact O-N 3.11Å; I209-V231 HydrophobicContact CD1-CG1 4.06Å; I209-V231 HydrophobicContact CD1-CG2 4.03Å; I209-V231 HydrophobicContact CG1-CB 4.5Å; I209-V231 HydrophobicContact CG1-CG1 3.94Å; I209-V231 HydrophobicContact CG1-CG2 4.43Å; I209-V234 HydrophobicContact CG2-CG2 4.35Å; I209-L243 HydrophobicContact CG2-CD1 4.08Å; I209-T245 HydrophobicContact CD1-CG2 3.96Å; I209-T245 HydrophobicContact CG1-CG2 3.78Å; I209-W255 HydrophobicContact CD1-CZ2 3.94Å
210K98.6Very high98.1Very high30 Ų3036.9 Ų36.913%0.1317%0.17CC..EExtended strand (participates in β ladder)trans-111148.9173.4-76.7178.8160.6-158.10109.7D182 G183 A201 S202 F212 L219 I221 P222D182-K210 PolarHBondContact O-NZ 2.8Å; G183-K210 WeakPolarHBondContact O-CD 3.5Å; G183-K210 WeakPolarHBondContact O-CE 3.35Å; G183-K210 PolarHBondContact O-NZ 3Å; A201-K210 CarbonylContact C-O 3.48Å; A201-K210 VanDerWaalsContact CA-O 3.28Å; A201-K210 WeakPolarHBondContact CA-O 3.48Å; S202-K210 PolarHBondContact N-O 2.85Å; S202-K210 PolarHBondContact O-N 2.89Å; K210-F212 HydrophobicContact CB-CE2 3.72Å; K210-F212 HydrophobicContact CB-CZ 3.78Å; K210-F212 HydrophobicContact CD-CZ 4.09Å; K210-L219 HydrophobicContact CB-CD2 3.99Å; K210-L219 HydrophobicContact CD-CD2 3.91Å; K210-L219 HydrophobicContact CG-CD2 4.06Å; K210-I221 WeakPolarHBondContact CA-O 3.34Å; K210-P222 WeakPolarHBondContact CG-O 3.22Å
211V98.7Very high98Very high0 Ų037.1 Ų37.10%017%0.172CC..EExtended strand (participates in β ladder)trans-129.1131174.2-171.70000109.9L199 L200 A201 V220 I221 F236 L243 L257L199-V211 HydrophobicContact CB-CG1 3.98Å; L199-V211 HydrophobicContact CD1-CG1 4.2Å; L199-V211 HydrophobicContact CD2-CG1 4.24Å; L199-V211 HydrophobicContact CG-CG1 4.37Å; L200-V211 CarbonylContact O-C 3.55Å; L200-V211 VanDerWaalsContact O-CA 3.27Å; L200-V211 WeakPolarHBondContact O-CA 3.46Å; A201-V211 HydrophobicContact CB-CG2 4.33Å; V211-V220 PolarHBondContact O-N 3.26Å; V211-I221 HydrophobicContact CB-CB 3.95Å; V211-I221 HydrophobicContact CB-CD1 4.29Å; V211-I221 HydrophobicContact CB-CG1 4.38Å; V211-I221 HydrophobicContact CG2-CB 4.12Å; V211-I221 HydrophobicContact CG2-CD1 4.15Å; V211-I221 PolarHBondContact N-O 2.73Å; V211-I221 PolarHBondContact O-N 3.07Å; V211-I221 VanDerWaalsContact O-N 3.08Å; V211-F236 HydrophobicContact CG1-CZ 4.49Å; V211-L243 HydrophobicContact CG2-CD1 4.15Å; V211-L257 HydrophobicContact CG2-CD2 4.13Å
212F98.7Very high97.9Very high0 Ų041 Ų410%020%0.196CC..EExtended strand (participates in β ladder)trans-118.4149.2-175.1-51.3-97000111.4V168 L181 D182 L199 L200 S202 K210 R218 L219V168-F212 HydrophobicContact CG1-CE2 4.39Å; V168-F212 HydrophobicContact CG2-CE2 4.41Å; V168-F212 HydrophobicContact CG2-CZ 4.43Å; L181-F212 HydrophobicContact CB-CD1 3.88Å; L181-F212 HydrophobicContact CB-CE1 3.72Å; L181-F212 HydrophobicContact CB-CZ 4.26Å; L181-F212 HydrophobicContact CD1-CB 3.91Å; L181-F212 HydrophobicContact CD1-CD1 3.81Å; L181-F212 HydrophobicContact CD1-CD2 3.9Å; L181-F212 HydrophobicContact CD1-CE1 4.26Å; L181-F212 HydrophobicContact CD1-CE2 4.36Å; L181-F212 HydrophobicContact CD1-CG 3.61Å; L181-F212 HydrophobicContact CG-CD1 4.38Å; D182-F212 WeakPolarHBondContact O-CE1 3.33Å; L199-F212 VanDerWaalsContact CA-O 3.25Å; L199-F212 WeakPolarHBondContact CA-O 3.14Å; L200-F212 PolarHBondContact N-O 3.39Å; L200-F212 WeakPolarHBondContact O-CD2 3.41Å; L200-F212 PolarHBondContact O-N 2.95Å; S202-F212 WeakPolarHBondContact OG-CE2 3.46Å; K210-F212 HydrophobicContact CB-CE2 3.72Å; K210-F212 HydrophobicContact CB-CZ 3.78Å; K210-F212 HydrophobicContact CD-CZ 4.09Å; F212-R218 CarbonylContact C-O 3.58Å; F212-R218 VanDerWaalsContact CA-O 3.25Å; F212-R218 WeakPolarHBondContact CA-O 3.22Å; F212-L219 HydrophobicContact CD1-CD2 3.55Å; F212-L219 HydrophobicContact CD1-CG 3.95Å; F212-L219 HydrophobicContact CE1-CD2 3.17Å; F212-L219 HydrophobicContact CE1-CG 3.72Å; F212-L219 HydrophobicContact CE2-CD2 4.4Å; F212-L219 HydrophobicContact CG-CD2 4.33Å; F212-L219 HydrophobicContact CZ-CD2 3.65Å
213D98.2Very high97.8Very high11 Ų1142.7 Ų42.76%0.05921%0.209CC..EExtended strand (participates in β ladder)trans-78.5124164.4-173.3-44000107.9R215 D216 G217 R218 V220D213-R215 PolarHBondContact O-N 3.04Å; D213-R215 WeakPolarHBondContact OD1-CB 3.18Å; D213-R215 IonicContact OD1-CZ 3.85Å; D213-R215 PolarHBondContact OD1-N 2.95Å; D213-R215 IonicContact OD1-NE 2.93Å; D213-R215 PolarHBondContact OD1-NE 3.37Å; D213-R215 VanDerWaalsContact OD1-NE 3.16Å; D213-R215 IonicContact OD1-NH2 3.83Å; D213-R215 IonicContact OD2-CZ 2.74Å; D213-R215 IonicContact OD2-NE 3.9Å; D213-R215 IonicContact OD2-NH2 3.83Å; D213-R215 PolarHBondContact OD2-NH2 2.8Å; D213-D216 WeakPolarHBondContact CB-OD1 3.13Å; D213-G217 WeakPolarHBondContact O-CA 3.23Å; D213-G217 PolarHBondContact O-N 3.19Å; D213-R218 HydrophobicContact CB-CG 4.06Å; D213-R218 PolarHBondContact N-O 3.36Å; D213-R218 IonicContact OD2-CZ 3.19Å; D213-R218 IonicContact OD2-NE 3.87Å; D213-R218 IonicContact OD2-NH2 3.5Å; D213-R218 PolarHBondContact OD2-NH2 3.28Å; D213-V220 HydrophobicContact CB-CG2 3.85Å
214V98.3Very high97.7Very high8 Ų842.8 Ų42.85%0.04821%0.209CC..THydrogen-bonded Turntrans-67.4-24.9-174.2171.20000112.4I153 K158 I170 F193 G197 R198 L200I153-V214 HydrophobicContact CD1-CG1 4.3Å; K158-V214 HydrophobicContact CD-CG1 4.35Å; I170-V214 HydrophobicContact CD1-CB 4.45Å; I170-V214 HydrophobicContact CD1-CG1 4.19Å; I170-V214 HydrophobicContact CD1-CG2 4.3Å; F193-V214 HydrophobicContact CD1-CG2 3.77Å; F193-V214 HydrophobicContact CE1-CG1 4.05Å; F193-V214 HydrophobicContact CE1-CG2 3.6Å; G197-V214 WeakPolarHBondContact O-CB 3.36Å; G197-V214 WeakPolarHBondContact O-CG2 3.49Å; R198-V214 PolarHBondContact O-N 3.21Å; L200-V214 HydrophobicContact CB-CG2 4.06Å
215R96.5Very high97.5Very high188 Ų18848.2 Ų48.271%0.70924%0.238SC*.THydrogen-bonded Turntrans-78.5-40.7-173.7-62.4171.4-62.4169.94.2112.8D213D213-R215 PolarHBondContact O-N 3.04Å; D213-R215 WeakPolarHBondContact OD1-CB 3.18Å; D213-R215 IonicContact OD1-CZ 3.85Å; D213-R215 PolarHBondContact OD1-N 2.95Å; D213-R215 IonicContact OD1-NE 2.93Å; D213-R215 PolarHBondContact OD1-NE 3.37Å; D213-R215 VanDerWaalsContact OD1-NE 3.16Å; D213-R215 IonicContact OD1-NH2 3.83Å; D213-R215 IonicContact OD2-CZ 2.74Å; D213-R215 IonicContact OD2-NE 3.9Å; D213-R215 IonicContact OD2-NH2 3.83Å; D213-R215 PolarHBondContact OD2-NH2 2.8Å
216D96.2Very high97.4Very high82 Ų8248.7 Ų48.744%0.43925%0.247SC..THydrogen-bonded Turntrans-117.8-6.3-175.764.714.8000113.2Q179 D213 R218Q179-D216 PolarHBondContact NE2-O 2.82Å; D213-D216 WeakPolarHBondContact CB-OD1 3.13Å; D216-R218 PolarHBondContact O-N 3.18Å; D216-R218 WeakPolarHBondContact OD1-CB 3.21Å; D216-R218 WeakPolarHBondContact OD1-CD 3.5Å; D216-R218 WeakPolarHBondContact OD1-CG 3.43Å; D216-R218 PolarHBondContact OD1-N 3.27Å; D216-R218 IonicContact OD1-NE 2.79Å; D216-R218 VanDerWaalsContact OD2-CD 3.24Å; D216-R218 WeakPolarHBondContact OD2-CD 3.44Å; D216-R218 IonicContact OD2-CZ 3.97Å; D216-R218 IonicContact OD2-NE 3.89Å; D216-R218 PolarHBondContact OD2-NE 3.23Å; D216-R218 VanDerWaalsContact OD2-NE 3.15Å
217G97.2Very high97.4Very high12 Ų1247.5 Ų47.512%0.12424%0.24CC..  trans74.97.5176.200000114.4Q179 L181 D213Q179-G217 VanDerWaalsContact NE2-CA 3.29Å; Q179-G217 VanDerWaalsContact NE2-N 3.14Å; L181-G217 VanDerWaalsContact CD2-CA 3.46Å; D213-G217 WeakPolarHBondContact O-CA 3.23Å; D213-G217 PolarHBondContact O-N 3.19Å
218R97.4Very high97.4Very high139 Ų13950.9 Ų50.953%0.52526%0.255SS..  trans-72.4147.9-177.978.6-166.2159.8152.21.8111.4F212 D213 D216 V220F212-R218 CarbonylContact C-O 3.58Å; F212-R218 VanDerWaalsContact CA-O 3.25Å; F212-R218 WeakPolarHBondContact CA-O 3.22Å; D213-R218 HydrophobicContact CB-CG 4.06Å; D213-R218 PolarHBondContact N-O 3.36Å; D213-R218 IonicContact OD2-CZ 3.19Å; D213-R218 IonicContact OD2-NE 3.87Å; D213-R218 IonicContact OD2-NH2 3.5Å; D213-R218 PolarHBondContact OD2-NH2 3.28Å; D216-R218 PolarHBondContact O-N 3.18Å; D216-R218 WeakPolarHBondContact OD1-CB 3.21Å; D216-R218 WeakPolarHBondContact OD1-CD 3.5Å; D216-R218 WeakPolarHBondContact OD1-CG 3.43Å; D216-R218 PolarHBondContact OD1-N 3.27Å; D216-R218 IonicContact OD1-NE 2.79Å; D216-R218 VanDerWaalsContact OD2-CD 3.24Å; D216-R218 WeakPolarHBondContact OD2-CD 3.44Å; D216-R218 IonicContact OD2-CZ 3.97Å; D216-R218 IonicContact OD2-NE 3.89Å; D216-R218 PolarHBondContact OD2-NE 3.23Å; D216-R218 VanDerWaalsContact OD2-NE 3.15Å; R218-V220 HydrophobicContact CG-CG2 4.47Å; R218-V220 PolarHBondContact O-N 3.06Å
219L97.7Very high97.4Very high56 Ų5649.3 Ų49.329%0.29325%0.25SS..EExtended strand (participates in β ladder)trans-67.9117.9169.4-78.3166.8000110.8D182 K210 F212D182-L219 HydrophobicContact CB-CD1 4.14Å; D182-L219 WeakPolarHBondContact OD2-CD1 3.32Å; K210-L219 HydrophobicContact CB-CD2 3.99Å; K210-L219 HydrophobicContact CD-CD2 3.91Å; K210-L219 HydrophobicContact CG-CD2 4.06Å; F212-L219 HydrophobicContact CD1-CD2 3.55Å; F212-L219 HydrophobicContact CD1-CG 3.95Å; F212-L219 HydrophobicContact CE1-CD2 3.17Å; F212-L219 HydrophobicContact CE1-CG 3.72Å; F212-L219 HydrophobicContact CE2-CD2 4.4Å; F212-L219 HydrophobicContact CG-CD2 4.33Å; F212-L219 HydrophobicContact CZ-CD2 3.65Å
220V97.5Very high97.4Very high55 Ų5554.5 Ų54.533%0.33327%0.27SS..EExtended strand (participates in β ladder)trans-93.1-39.5174.4179.80000110.4L199 V211 D213 R218L199-V220 HydrophobicContact CD2-CG2 4.29Å; V211-V220 PolarHBondContact O-N 3.26Å; D213-V220 HydrophobicContact CB-CG2 3.85Å; R218-V220 HydrophobicContact CG-CG2 4.47Å; R218-V220 PolarHBondContact O-N 3.06Å
221I97.8Very high97.4Very high6 Ų653.1 Ų53.13%0.03126%0.264CS..EExtended strand (participates in β ladder)trans-129.7108172.7-59.7167.2000107.4K210 V211 S223 L224 L257 K260K210-I221 WeakPolarHBondContact CA-O 3.34Å; V211-I221 HydrophobicContact CB-CB 3.95Å; V211-I221 HydrophobicContact CB-CD1 4.29Å; V211-I221 HydrophobicContact CB-CG1 4.38Å; V211-I221 HydrophobicContact CG2-CB 4.12Å; V211-I221 HydrophobicContact CG2-CD1 4.15Å; V211-I221 PolarHBondContact N-O 2.73Å; V211-I221 PolarHBondContact O-N 3.07Å; V211-I221 VanDerWaalsContact O-N 3.08Å; I221-S223 VanDerWaalsContact C-N 3.27Å; I221-S223 WeakPolarHBondContact CG2-O 3.24Å; I221-S223 PolarHBondContact O-N 3.12Å; I221-L224 HydrophobicContact CG2-CD2 3.83Å; I221-L224 HydrophobicContact CG2-CG 3.92Å; I221-L257 HydrophobicContact CD1-CB 4.13Å; I221-L257 HydrophobicContact CD1-CD2 3.7Å; I221-L257 HydrophobicContact CD1-CG 4.44Å; I221-K260 HydrophobicContact CD1-CG 4.18Å; I221-K260 HydrophobicContact CG1-CD 4.15Å; I221-K260 HydrophobicContact CG1-CG 4.27Å
222P96.4Very high97.4Very high80 Ų8053.6 Ų53.652%0.51927%0.267SS..SBendtrans-75.5-16-176.429.9-35.2000113.5K210K210-P222 WeakPolarHBondContact CG-O 3.22Å
223S95.7Very high97.4Very high37 Ų3753.7 Ų53.726%0.25927%0.267SS..  trans-168.2135.3-176.4164.70000110.7Q208 I209 I221 N225Q208-S223 PolarHBondContact OE1-OG 2.98Å; I209-S223 CarbonylContact O-C 3.54Å; I209-S223 WeakPolarHBondContact O-CA 3.3Å; I221-S223 VanDerWaalsContact C-N 3.27Å; I221-S223 WeakPolarHBondContact CG2-O 3.24Å; I221-S223 PolarHBondContact O-N 3.12Å; S223-N225 PolarHBondContact OG-ND2 3.36Å; S223-N225 PolarHBondContact OG-OD1 2.85Å
224L97.1Very high97.5Very high1 Ų153.1 Ų53.11%0.00527%0.265CS..  trans-114103.1161-64.9171.1000108.1I209 I221 L243 W255 L257 K260I209-L224 HydrophobicContact CB-CB 4.2Å; I209-L224 HydrophobicContact CB-CD1 4.2Å; I209-L224 HydrophobicContact CD1-CB 4.26Å; I209-L224 HydrophobicContact CG2-CD1 4.12Å; I209-L224 PolarHBondContact O-N 2.79Å; I209-L224 VanDerWaalsContact O-N 3.11Å; I221-L224 HydrophobicContact CG2-CD2 3.83Å; I221-L224 HydrophobicContact CG2-CG 3.92Å; L224-L243 HydrophobicContact CD1-CD1 4.1Å; L224-W255 HydrophobicContact CB-CD2 4.02Å; L224-W255 HydrophobicContact CB-CE3 3.81Å; L224-W255 HydrophobicContact CB-CH2 4.35Å; L224-W255 HydrophobicContact CB-CZ3 3.98Å; L224-W255 HydrophobicContact CD1-CB 3.89Å; L224-W255 HydrophobicContact CD1-CD2 4.08Å; L224-W255 HydrophobicContact CD1-CE3 4.42Å; L224-W255 HydrophobicContact CD1-CG 3.84Å; L224-W255 HydrophobicContact CD2-CE3 4.29Å; L224-W255 HydrophobicContact CG-CE3 4.4Å; L224-L257 HydrophobicContact CD1-CD2 4.11Å; L224-K260 HydrophobicContact CD2-CB 4.37Å
225N94.5Very high97.5Very high114 Ų11454.2 Ų54.261%0.6127%0.27SS*.  trans-87135.1-174.4-70.7-62.5000111.9Q208 S223 W255Q208-N225 PolarHBondContact NE2-OD1 3.39Å; Q208-N225 PolarHBondContact OE1-OD1 2.87Å; S223-N225 PolarHBondContact OG-ND2 3.36Å; S223-N225 PolarHBondContact OG-OD1 2.85Å; N225-W255 WeakPolarHBondContact O-CH2 3.21Å; N225-W255 WeakPolarHBondContact O-CZ3 3.42Å
226G96Very high97.6Very high28 Ų2845.8 Ų45.829%0.28924%0.239SC..  trans168.8-35.2169.400000113.5R253G226-R253 VanDerWaalsContact C-CZ 3.47Å; G226-R253 PolarHBondContact O-NH1 2.74Å; G226-R253 PolarHBondContact O-NH2 3.43Å; G226-R253 VanDerWaalsContact O-NH2 3.09Å
227H98.3Very high97.6Very high14 Ų1442.1 Ų42.17%0.06522%0.219CC..  trans-66.1140.5173.9-78.2-59.8000112.1V231 T245 S247 D249 S251 R253 W255H227-V231 HydrophobicContact CB-CG2 3.83Å; H227-T245 PolarHBondContact NE2-OG1 2.66Å; H227-S247 WeakPolarHBondContact CE1-CB 3.43Å; H227-S247 WeakPolarHBondContact ND1-CB 3.37Å; H227-S247 PolarHBondContact ND1-OG 2.97Å; H227-D249 VanDerWaalsContact CA-OD2 3.26Å; H227-D249 WeakPolarHBondContact CA-OD2 3.37Å; H227-D249 IonicContact CE1-OD1 3.78Å; H227-D249 IonicContact CG-OD2 3.84Å; H227-D249 IonicContact ND1-OD1 3.13Å; H227-D249 PolarHBondContact ND1-OD1 3.25Å; H227-D249 VanDerWaalsContact ND1-OD1 3.13Å; H227-D249 IonicContact ND1-OD2 3.17Å; H227-D249 PolarHBondContact ND1-OD2 2.79Å; H227-S251 PolarHBondContact CE1-O 3.16Å; H227-S251 PolarHBondContact CE1-OG 2.9Å; H227-S251 PolarHBondContact ND1-OG 2.71Å; H227-S251 VanDerWaalsContact ND1-OG 3.09Å; H227-R253 VanDerWaalsContact CE1-CD 3.4Å; H227-R253 WeakPolarHBondContact CE1-CD 3.21Å; H227-R253 PolarHBondContact ND1-NE 2.94Å; H227-W255 AromaticContact CD2-CZ2 3.97Å
228K98.2Very high97.5Very high164 Ų16444.8 Ų44.871%0.71324%0.236SC*.SBendtrans-100.5-12.5179.5-62.2179-178.2174.30112.8K207 D249K207-K228 WeakPolarHBondContact CD-O 3.35Å; K207-K228 WeakPolarHBondContact CE-O 3.17Å; K207-K228 PolarHBondContact NZ-O 2.88Å; K228-D249 HydrophobicContact CB-CB 4.05Å; K228-D249 PolarHBondContact N-OD2 3.19Å
229G98.5Very high97.4Very high10 Ų1042 Ų4210%0.10323%0.232CC..SBendtrans-121.3-173179.400000111.4K207K207-G229 VanDerWaalsContact CB-O 3.28Å; K207-G229 WeakPolarHBondContact CB-O 3.42Å; K207-G229 VanDerWaalsContact CG-O 3.24Å; K207-G229 WeakPolarHBondContact CG-O 3.47Å
230W98.7Very high97.2Very high110 Ų11041.8 Ų41.842%0.41723%0.231SC..  trans-63.4134.1177.1-59.6-18.5000109.8D205 V232 S247 T248D205-W230 HydrophobicContact CB-CB 4.4Å; D205-W230 HydrophobicContact CB-CD2 4.23Å; D205-W230 HydrophobicContact CB-CG 3.91Å; D205-W230 WeakPolarHBondContact OD1-CB 3.29Å; W230-V232 HydrophobicContact CB-CG1 3.98Å; W230-V232 PolarHBondContact O-N 3.22Å; W230-S247 WeakPolarHBondContact O-CA 3.48Å; W230-S247 WeakPolarHBondContact O-CB 3.32Å; W230-S247 PolarHBondContact O-OG 3.12Å; W230-T248 HydrophobicContact CB-CG2 4.04Å; W230-T248 HydrophobicContact CE3-CG2 4.19Å; W230-T248 PolarHBondContact N-OG1 2.96Å; W230-T248 PolarHBondContact O-N 2.9Å
231V98.8Very high97.2Very high0 Ų045.1 Ų45.10%024%0.238CC..EExtended strand (participates in β ladder)trans-89.8108.9172.1-165.20000107.4A203 S204 I209 H227 T245A203-V231 CarbonylContact C-O 3.47Å; A203-V231 HydrophobicContact CB-CB 3.88Å; A203-V231 HydrophobicContact CB-CG1 3.56Å; S204-V231 CarbonylContact C-O 3.53Å; S204-V231 PolarHBondContact N-O 2.71Å; S204-V231 PolarHBondContact O-N 2.98Å; I209-V231 HydrophobicContact CD1-CG1 4.06Å; I209-V231 HydrophobicContact CD1-CG2 4.03Å; I209-V231 HydrophobicContact CG1-CB 4.5Å; I209-V231 HydrophobicContact CG1-CG1 3.94Å; I209-V231 HydrophobicContact CG1-CG2 4.43Å; H227-V231 HydrophobicContact CB-CG2 3.83Å; V231-T245 HydrophobicContact CG1-CG2 4.19Å
232V98.5Very high97.1Very high11 Ų1145.4 Ų45.47%0.06724%0.239CC..EExtended strand (participates in β ladder)trans-103-14.9-167.6-64.70000113.2R189 S190 W230 A246 T248 V273 W274R189-V232 HydrophobicContact CB-CB 4.36Å; R189-V232 HydrophobicContact CG-CB 4.41Å; R189-V232 HydrophobicContact CG-CG1 4.12Å; S190-V232 WeakPolarHBondContact CB-O 3.33Å; W230-V232 HydrophobicContact CB-CG1 3.98Å; W230-V232 PolarHBondContact O-N 3.22Å; V232-A246 PolarHBondContact N-O 3.49Å; V232-T248 HydrophobicContact CG1-CG2 4Å; V232-V273 WeakPolarHBondContact CG2-O 3.46Å; V232-W274 HydrophobicContact CB-CE3 4.16Å; V232-W274 HydrophobicContact CB-CZ3 4.41Å; V232-W274 HydrophobicContact CG1-CE3 4.13Å; V232-W274 HydrophobicContact CG1-CZ3 3.9Å; V232-W274 HydrophobicContact CG2-CE3 4.13Å; V232-W274 WeakPolarHBondContact CG2-O 3.45Å
233S98.7Very high97.2Very high1 Ų141.6 Ų41.61%0.00721%0.214CC..EExtended strand (participates in β ladder)trans-141.8139.2178.3-172.10000110.6T245 A246 A276 R277S233-T245 WeakPolarHBondContact O-CA 3.47Å; S233-T245 WeakPolarHBondContact O-CB 3.45Å; S233-A246 PolarHBondContact N-O 3.44Å; S233-A246 PolarHBondContact O-N 2.8Å; S233-A276 PolarHBondContact OG-N 3.03Å; S233-A276 VanDerWaalsContact OG-N 3.12Å; S233-A276 PolarHBondContact OG-O 3.21Å; S233-A276 VanDerWaalsContact OG-O 3.04Å; S233-R277 PolarHBondContact OG-NH1 2.76Å
234V98.8Very high97.4Very high0 Ų039.8 Ų39.80%020%0.202CC..EExtended strand (participates in β ladder)trans-135.4143.2166.462.90000109.8S190 A201 A203 I209 L243 V244 T245 R277S190-V234 PolarHBondContact OG-N 2.96Å; S190-V234 VanDerWaalsContact OG-N 3.07Å; S190-V234 PolarHBondContact OG-O 3.42Å; A201-V234 HydrophobicContact CB-CG1 4.42Å; A201-V234 HydrophobicContact CB-CG2 3.82Å; A203-V234 HydrophobicContact CB-CB 3.9Å; A203-V234 HydrophobicContact CB-CG1 3.93Å; I209-V234 HydrophobicContact CG2-CG2 4.35Å; V234-L243 HydrophobicContact CG2-CB 4.47Å; V234-L243 HydrophobicContact CG2-CD1 4.11Å; V234-L243 HydrophobicContact CG2-CD2 4.05Å; V234-L243 HydrophobicContact CG2-CG 4.46Å; V234-V244 CarbonylContact C-O 3.56Å; V234-V244 WeakPolarHBondContact CA-O 3.42Å; V234-T245 HydrophobicContact CB-CG2 4.2Å; V234-T245 HydrophobicContact CG2-CG2 3.96Å; V234-R277 PolarHBondContact O-NH1 3.47Å; V234-R277 VanDerWaalsContact O-NH1 3.13Å
235D98.6Very high97.5Very high31 Ų3139.8 Ų39.817%0.16620%0.201CC..EExtended strand (participates in β ladder)trans-148.4142.8174.1-168.532.1000111.9S192 L243 V244 R277 Y278S192-D235 PolarHBondContact OG-OD1 3.35Å; D235-L243 CarbonylContact O-C 3.58Å; D235-L243 WeakPolarHBondContact O-CA 3.43Å; D235-V244 HydrophobicContact CB-CG1 3.84Å; D235-V244 PolarHBondContact N-O 2.94Å; D235-V244 PolarHBondContact O-N 3.38Å; D235-R277 WeakPolarHBondContact OD2-CA 3.5Å; D235-Y278 PolarHBondContact OD2-N 2.78Å
236F98.3Very high97.7Very high11 Ų1134.3 Ų34.35%0.04817%0.172CC..EExtended strand (participates in β ladder)trans-86138.7178-93.9-85.9000111.7S192 F193 L199 A201 V211 L243 L257 Y278S192-F236 WeakPolarHBondContact O-CD2 3.3Å; S192-F236 VanDerWaalsContact O-CE2 3.32Å; S192-F236 WeakPolarHBondContact O-CE2 3.44Å; S192-F236 PolarHBondContact OG-N 3.32Å; F193-F236 WeakPolarHBondContact O-CD2 3.36Å; L199-F236 HydrophobicContact CB-CE1 4.48Å; L199-F236 HydrophobicContact CB-CZ 3.81Å; L199-F236 HydrophobicContact CD1-CZ 4.48Å; A201-F236 HydrophobicContact CB-CD2 4.22Å; A201-F236 HydrophobicContact CB-CE2 3.52Å; A201-F236 HydrophobicContact CB-CZ 4.16Å; V211-F236 HydrophobicContact CG1-CZ 4.49Å; F236-L243 HydrophobicContact CB-CD2 4.2Å; F236-L243 HydrophobicContact CD1-CD2 3.51Å; F236-L243 HydrophobicContact CD1-CG 4.48Å; F236-L243 HydrophobicContact CD2-CD2 3.47Å; F236-L243 VanDerWaalsContact CD2-CD2 3.47Å; F236-L243 HydrophobicContact CE1-CD2 3.67Å; F236-L243 HydrophobicContact CE1-CG 4.39Å; F236-L243 HydrophobicContact CE2-CD2 3.62Å; F236-L243 HydrophobicContact CG-CD2 3.42Å; F236-L243 VanDerWaalsContact CG-CD2 3.42Å; F236-L243 HydrophobicContact CZ-CD2 3.71Å; F236-L257 HydrophobicContact CD1-CD1 4.47Å; F236-L257 HydrophobicContact CE1-CD1 3.45Å; F236-L257 VanDerWaalsContact CE1-CD1 3.45Å; F236-L257 HydrophobicContact CZ-CD1 3.94Å; F236-Y278 WeakPolarHBondContact O-CD2 3.48Å
237A97.1Very high97.8Very high4 Ų433 Ų333%0.03316%0.159CC..  trans-71.1154.1165.800000110.7P195 D239 N240 H242 Y278P195-A237 WeakPolarHBondContact CG-O 3.29Å; A237-D239 WeakPolarHBondContact CB-OD1 3.46Å; A237-D239 PolarHBondContact O-N 3.24Å; A237-N240 PolarHBondContact O-N 3.29Å; A237-N240 VanDerWaalsContact O-N 3.17Å; A237-H242 HydrophobicContact CB-CB 3.9Å; A237-H242 WeakPolarHBondContact CB-O 3.16Å; A237-H242 PolarHBondContact N-O 2.83Å; A237-Y278 HydrophobicContact CB-CD1 4.33Å; A237-Y278 HydrophobicContact CB-CD2 4.07Å; A237-Y278 HydrophobicContact CB-CE1 3.96Å; A237-Y278 HydrophobicContact CB-CE2 3.68Å; A237-Y278 HydrophobicContact CB-CG 4.38Å
238S94.6Very high97.8Very high69 Ų6933.7 Ų33.748%0.48316%0.164SC..THydrogen-bonded Turntrans-62.5-11.7176.557.70000114.5N240S238-N240 VanDerWaalsContact C-N 3.35Å
239D94.7Very high97.8Very high81 Ų8127.5 Ų27.543%0.43314%0.139SC..THydrogen-bonded Turntrans-871178.569.78.3000114.4A237 R241 H242A237-D239 WeakPolarHBondContact CB-OD1 3.46Å; A237-D239 PolarHBondContact O-N 3.24Å; D239-R241 PolarHBondContact O-N 3.16Å; D239-R241 VanDerWaalsContact O-N 3.07Å; D239-R241 PolarHBondContact OD1-N 3.21Å; D239-H242 PolarHBondContact OD1-N 2.85Å; D239-H242 IonicContact OD1-ND1 3.7Å; D239-H242 PolarHBondContact OD1-ND1 2.82Å; D239-H242 IonicContact OD2-CE1 3.79Å; D239-H242 PolarHBondContact OD2-CE1 2.77Å; D239-H242 VanDerWaalsContact OD2-CE1 3.26Å; D239-H242 IonicContact OD2-CG 3.42Å; D239-H242 IonicContact OD2-ND1 3.39Å; D239-H242 PolarHBondContact OD2-ND1 3.44Å
240N95.3Very high97.8Very high51 Ų5128.9 Ų28.927%0.27315%0.146SC..SBendtrans58.711.3-176.4-58.3-75.3000114.9P195 D196 A237 S238P195-N240 WeakPolarHBondContact CB-OD1 3.36Å; P195-N240 WeakPolarHBondContact CD-OD1 3.11Å; P195-N240 WeakPolarHBondContact CG-OD1 3.38Å; P195-N240 VanDerWaalsContact N-OD1 3.08Å; D196-N240 PolarHBondContact N-OD1 3Å; D196-N240 PolarHBondContact OD1-OD1 3.3Å; A237-N240 PolarHBondContact O-N 3.29Å; A237-N240 VanDerWaalsContact O-N 3.17Å; S238-N240 VanDerWaalsContact C-N 3.35Å
241R95.7Very high97.8Very high125 Ų12523.7 Ų23.747%0.47213%0.126SC..SBendtrans-115.4-34.1-173.8175.9176.6173.4169.7-0.2112.5D239 D256 L257D239-R241 PolarHBondContact O-N 3.16Å; D239-R241 VanDerWaalsContact O-N 3.07Å; D239-R241 PolarHBondContact OD1-N 3.21Å; R241-D256 IonicContact CZ-OD1 2.78Å; R241-D256 IonicContact CZ-OD2 3.19Å; R241-D256 IonicContact NE-OD1 3.15Å; R241-D256 PolarHBondContact NE-OD1 3.05Å; R241-D256 IonicContact NE-OD2 3.81Å; R241-D256 PolarHBondContact NE-OD2 3.08Å; R241-D256 IonicContact NH2-OD1 3.44Å; R241-D256 IonicContact NH2-OD2 3.89Å; R241-D256 PolarHBondContact NH2-OD2 2.88Å; R241-L257 WeakPolarHBondContact O-CB 3.22Å; R241-L257 VanDerWaalsContact O-CG 3.24Å; R241-L257 WeakPolarHBondContact O-CG 3.34Å; R241-L257 PolarHBondContact O-N 3.01Å
242H97.5Very high97.8Very high11 Ų1123.7 Ų23.75%0.05113%0.126CC..EExtended strand (participates in β ladder)trans-107.1147-176.2-56.390.8000112.5A237 D239 I254 W255 D256 K263A237-H242 HydrophobicContact CB-CB 3.9Å; A237-H242 WeakPolarHBondContact CB-O 3.16Å; A237-H242 PolarHBondContact N-O 2.83Å; D239-H242 PolarHBondContact OD1-N 2.85Å; D239-H242 IonicContact OD1-ND1 3.7Å; D239-H242 PolarHBondContact OD1-ND1 2.82Å; D239-H242 IonicContact OD2-CE1 3.79Å; D239-H242 PolarHBondContact OD2-CE1 2.77Å; D239-H242 VanDerWaalsContact OD2-CE1 3.26Å; D239-H242 IonicContact OD2-CG 3.42Å; D239-H242 IonicContact OD2-ND1 3.39Å; D239-H242 PolarHBondContact OD2-ND1 3.44Å; H242-I254 HydrophobicContact CB-CG2 4.31Å; H242-W255 WeakPolarHBondContact CA-O 3.39Å; H242-D256 IonicContact NE2-OD2 3.7Å; H242-K263 PolarHBondContact CE1-NZ 3.09Å; H242-K263 WeakPolarHBondContact NE2-CD 3.31Å; H242-K263 PolarHBondContact NE2-NZ 2.93Å
243L98.2Very high97.8Very high0 Ų024.5 Ų24.50%013%0.128CC..EExtended strand (participates in β ladder)trans-114.4146.7166.5-67.8178.8000109.3A201 I209 V211 L224 V234 D235 F236 I254 W255 L257A201-L243 HydrophobicContact CB-CD1 3.82Å; A201-L243 HydrophobicContact CB-CD2 3.95Å; I209-L243 HydrophobicContact CG2-CD1 4.08Å; V211-L243 HydrophobicContact CG2-CD1 4.15Å; L224-L243 HydrophobicContact CD1-CD1 4.1Å; V234-L243 HydrophobicContact CG2-CB 4.47Å; V234-L243 HydrophobicContact CG2-CD1 4.11Å; V234-L243 HydrophobicContact CG2-CD2 4.05Å; V234-L243 HydrophobicContact CG2-CG 4.46Å; D235-L243 CarbonylContact O-C 3.58Å; D235-L243 WeakPolarHBondContact O-CA 3.43Å; F236-L243 HydrophobicContact CB-CD2 4.2Å; F236-L243 HydrophobicContact CD1-CD2 3.51Å; F236-L243 HydrophobicContact CD1-CG 4.48Å; F236-L243 HydrophobicContact CD2-CD2 3.47Å; F236-L243 VanDerWaalsContact CD2-CD2 3.47Å; F236-L243 HydrophobicContact CE1-CD2 3.67Å; F236-L243 HydrophobicContact CE1-CG 4.39Å; F236-L243 HydrophobicContact CE2-CD2 3.62Å; F236-L243 HydrophobicContact CG-CD2 3.42Å; F236-L243 VanDerWaalsContact CG-CD2 3.42Å; F236-L243 HydrophobicContact CZ-CD2 3.71Å; L243-I254 CarbonylContact O-C 3.52Å; L243-I254 VanDerWaalsContact O-CA 3.24Å; L243-I254 WeakPolarHBondContact O-CA 3.37Å; L243-W255 HydrophobicContact CB-CB 4.28Å; L243-W255 PolarHBondContact N-O 3Å; L243-W255 VanDerWaalsContact N-O 3.12Å; L243-W255 PolarHBondContact O-N 2.78Å; L243-L257 HydrophobicContact CD1-CD2 3.74Å; L243-L257 HydrophobicContact CG-CD1 4.33Å; L243-L257 HydrophobicContact CG-CD2 3.98Å; L243-L257 HydrophobicContact CG-CG 4.36Å
244V98.7Very high97.8Very high0 Ų024.5 Ų24.50%013%0.128CC..EExtended strand (participates in β ladder)trans-109.7140160.965.90000109.5V234 D235 V252 R253 A276 Y278 I285V234-V244 CarbonylContact C-O 3.56Å; V234-V244 WeakPolarHBondContact CA-O 3.42Å; D235-V244 HydrophobicContact CB-CG1 3.84Å; D235-V244 PolarHBondContact N-O 2.94Å; D235-V244 PolarHBondContact O-N 3.38Å; V244-V252 HydrophobicContact CG2-CG1 3.53Å; V244-R253 CarbonylContact C-O 3.56Å; V244-R253 VanDerWaalsContact CA-O 3.3Å; V244-R253 WeakPolarHBondContact CA-O 3.46Å; V244-A276 HydrophobicContact CG2-CB 4.03Å; V244-Y278 HydrophobicContact CB-CD2 4.25Å; V244-Y278 HydrophobicContact CB-CE2 3.6Å; V244-Y278 HydrophobicContact CG1-CD2 3.56Å; V244-Y278 HydrophobicContact CG1-CE2 3.41Å; V244-Y278 VanDerWaalsContact CG1-CE2 3.41Å; V244-Y278 HydrophobicContact CG1-CG 4.42Å; V244-I285 HydrophobicContact CB-CD1 4.21Å; V244-I285 HydrophobicContact CG2-CD1 3.98Å; V244-I285 HydrophobicContact CG2-CG1 4.37Å; V244-I285 HydrophobicContact CG2-CG2 3.79Å
245T98.8Very high97.8Very high0 Ų024.6 Ų24.60%013%0.129CC..EExtended strand (participates in β ladder)trans-132.2147.8177.258.80000111.5I209 H227 V231 S233 V234 V252 R253 W255I209-T245 HydrophobicContact CD1-CG2 3.96Å; I209-T245 HydrophobicContact CG1-CG2 3.78Å; H227-T245 PolarHBondContact NE2-OG1 2.66Å; V231-T245 HydrophobicContact CG1-CG2 4.19Å; S233-T245 WeakPolarHBondContact O-CA 3.47Å; S233-T245 WeakPolarHBondContact O-CB 3.45Å; V234-T245 HydrophobicContact CB-CG2 4.2Å; V234-T245 HydrophobicContact CG2-CG2 3.96Å; T245-V252 CarbonylContact O-C 3.54Å; T245-V252 VanDerWaalsContact O-CA 3.25Å; T245-V252 WeakPolarHBondContact O-CA 3.41Å; T245-R253 PolarHBondContact N-O 3.43Å; T245-R253 PolarHBondContact O-N 3.11Å; T245-W255 PolarHBondContact OG1-NE1 2.93Å
246A98.8Very high97.8Very high0 Ų023.6 Ų23.60%012%0.123CC..EExtended strand (participates in β ladder)trans-120.3151.8172.600000110.7V232 S233 V273 A276V232-A246 PolarHBondContact N-O 3.49Å; S233-A246 PolarHBondContact N-O 3.44Å; S233-A246 PolarHBondContact O-N 2.8Å; A246-V273 HydrophobicContact CB-CB 4Å; A246-V273 HydrophobicContact CB-CG1 3.7Å; A246-A276 HydrophobicContact CB-CB 3.8Å
247S98.8Very high97.7Very high0 Ų024 Ų240%013%0.126CC..EExtended strand (participates in β ladder)trans-150.9158.5-171.6152.40000113.6H227 W230 D249 C250 S251 V273H227-S247 WeakPolarHBondContact CE1-CB 3.43Å; H227-S247 WeakPolarHBondContact ND1-CB 3.37Å; H227-S247 PolarHBondContact ND1-OG 2.97Å; W230-S247 WeakPolarHBondContact O-CA 3.48Å; W230-S247 WeakPolarHBondContact O-CB 3.32Å; W230-S247 PolarHBondContact O-OG 3.12Å; S247-D249 WeakPolarHBondContact CB-OD1 3.43Å; S247-D249 PolarHBondContact O-N 3.38Å; S247-D249 PolarHBondContact OG-N 3.4Å; S247-D249 PolarHBondContact OG-OD1 3.14Å; S247-C250 PolarHBondContact O-N 3.07Å; S247-S251 PolarHBondContact N-O 2.85Å; S247-V273 CarbonylContact C-O 3.55Å; S247-V273 PolarHBondContact N-O 2.58Å; S247-V273 PolarHBondContact O-N 3.01Å; S247-V273 VanDerWaalsContact O-N 3.08Å
248T98.8Very high97.7Very high29 Ų2927.4 Ų27.418%0.17815%0.154CC..THydrogen-bonded Turntrans-71.5-1.2173.464.70000113.5W230 V232 C250 Q272 W274W230-T248 HydrophobicContact CB-CG2 4.04Å; W230-T248 HydrophobicContact CE3-CG2 4.19Å; W230-T248 PolarHBondContact N-OG1 2.96Å; W230-T248 PolarHBondContact O-N 2.9Å; V232-T248 HydrophobicContact CG1-CG2 4Å; T248-C250 PolarHBondContact O-N 2.97Å; T248-Q272 HydrophobicContact CG2-CB 4.4Å; T248-Q272 HydrophobicContact CG2-CG 4.31Å; T248-W274 HydrophobicContact CG2-CH2 4.44Å
249D98.6Very high97.8Very high34 Ų3426.9 Ų26.918%0.18215%0.15CC..THydrogen-bonded Turntrans-84.517.1166.874.1-8.9000114.3H227 K228 S247 S251 R253H227-D249 VanDerWaalsContact CA-OD2 3.26Å; H227-D249 WeakPolarHBondContact CA-OD2 3.37Å; H227-D249 IonicContact CE1-OD1 3.78Å; H227-D249 IonicContact CG-OD2 3.84Å; H227-D249 IonicContact ND1-OD1 3.13Å; H227-D249 PolarHBondContact ND1-OD1 3.25Å; H227-D249 VanDerWaalsContact ND1-OD1 3.13Å; H227-D249 IonicContact ND1-OD2 3.17Å; H227-D249 PolarHBondContact ND1-OD2 2.79Å; K228-D249 HydrophobicContact CB-CB 4.05Å; K228-D249 PolarHBondContact N-OD2 3.19Å; S247-D249 WeakPolarHBondContact CB-OD1 3.43Å; S247-D249 PolarHBondContact O-N 3.38Å; S247-D249 PolarHBondContact OG-N 3.4Å; S247-D249 PolarHBondContact OG-OD1 3.14Å; D249-S251 PolarHBondContact O-N 3.06Å; D249-S251 WeakPolarHBondContact OD1-CB 3.5Å; D249-S251 PolarHBondContact OD1-N 3.19Å; D249-S251 PolarHBondContact OD1-OG 3.17Å; D249-S251 PolarHBondContact OD2-OG 3.08Å; D249-R253 IonicContact OD2-NH2 3.76Å
250C98.6Very high97.9Very high38 Ų3828.5 Ų28.526%0.25715%0.154SC..SBendtrans64.313.4179.3-44.20000114.6S247 T248 D271S247-C250 PolarHBondContact O-N 3.07Å; T248-C250 PolarHBondContact O-N 2.97Å; C250-D271 WeakPolarHBondContact CA-O 3.24Å; C250-D271 WeakPolarHBondContact CB-O 3.4Å; C250-D271 PolarHBondContact SG-O 3.03Å; C250-D271 VanDerWaalsContact SG-O 3.41Å
251S98.5Very high97.9Very high1 Ų132.3 Ų32.31%0.00717%0.17CC..  trans-113147.4-176.474.30000113.7H227 S247 D249 R253 F266H227-S251 PolarHBondContact CE1-O 3.16Å; H227-S251 PolarHBondContact CE1-OG 2.9Å; H227-S251 PolarHBondContact ND1-OG 2.71Å; H227-S251 VanDerWaalsContact ND1-OG 3.09Å; S247-S251 PolarHBondContact N-O 2.85Å; D249-S251 PolarHBondContact O-N 3.06Å; D249-S251 WeakPolarHBondContact OD1-CB 3.5Å; D249-S251 PolarHBondContact OD1-N 3.19Å; D249-S251 PolarHBondContact OD1-OG 3.17Å; D249-S251 PolarHBondContact OD2-OG 3.08Å; S251-R253 PolarHBondContact OG-NE 3.49Å; S251-F266 WeakPolarHBondContact CA-O 3.34Å
252V98.7Very high98Very high0 Ų030 Ų300%016%0.164CC..EExtended strand (participates in β ladder)trans-112.1120.8167.2178.90000108.2V244 T245 F266 V273 A276 I285 Y297V244-V252 HydrophobicContact CG2-CG1 3.53Å; T245-V252 CarbonylContact O-C 3.54Å; T245-V252 VanDerWaalsContact O-CA 3.25Å; T245-V252 WeakPolarHBondContact O-CA 3.41Å; V252-F266 HydrophobicContact CB-CB 4.31Å; V252-F266 HydrophobicContact CB-CD2 4.38Å; V252-F266 HydrophobicContact CG1-CD2 4.34Å; V252-F266 PolarHBondContact N-O 3.42Å; V252-F266 PolarHBondContact O-N 3.15Å; V252-V273 HydrophobicContact CG2-CB 4.49Å; V252-V273 HydrophobicContact CG2-CG1 3.84Å; V252-V273 HydrophobicContact CG2-CG2 4.39Å; V252-A276 HydrophobicContact CG1-CB 4.14Å; V252-I285 HydrophobicContact CG1-CG2 4.43Å; V252-Y297 HydrophobicContact CB-CE2 4.35Å; V252-Y297 HydrophobicContact CG1-CE2 4.33Å; V252-Y297 HydrophobicContact CG2-CE2 4.29Å
253R98.7Very high97.9Very high29 Ų2933.7 Ų33.711%0.10918%0.18CC..EExtended strand (participates in β ladder)trans-114.3145.4-175.9-67.1177.3-169.2-109.7-1.6111.5G226 H227 V244 T245 D249 S251 W255 E262 H264 C265G226-R253 VanDerWaalsContact C-CZ 3.47Å; G226-R253 PolarHBondContact O-NH1 2.74Å; G226-R253 PolarHBondContact O-NH2 3.43Å; G226-R253 VanDerWaalsContact O-NH2 3.09Å; H227-R253 VanDerWaalsContact CE1-CD 3.4Å; H227-R253 WeakPolarHBondContact CE1-CD 3.21Å; H227-R253 PolarHBondContact ND1-NE 2.94Å; V244-R253 CarbonylContact C-O 3.56Å; V244-R253 VanDerWaalsContact CA-O 3.3Å; V244-R253 WeakPolarHBondContact CA-O 3.46Å; T245-R253 PolarHBondContact N-O 3.43Å; T245-R253 PolarHBondContact O-N 3.11Å; D249-R253 IonicContact OD2-NH2 3.76Å; S251-R253 PolarHBondContact OG-NE 3.49Å; R253-W255 HydrophobicContact CB-CZ2 3.84Å; R253-W255 HydrophobicContact CG-CZ2 4.35Å; R253-E262 VanDerWaalsContact CD-OE2 3.27Å; R253-E262 WeakPolarHBondContact CD-OE2 3.21Å; R253-E262 IonicContact CZ-OE2 3.4Å; R253-E262 IonicContact NE-OE2 3.72Å; R253-E262 IonicContact NH1-OE1 3.54Å; R253-E262 IonicContact NH1-OE2 2.76Å; R253-E262 PolarHBondContact NH1-OE2 3.2Å; R253-H264 WeakPolarHBondContact CA-O 3.43Å; R253-C265 HydrophobicContact CG-CB 4.12Å
254I98.4Very high97.9Very high0 Ų036.6 Ų36.60%019%0.194CC..EExtended strand (participates in β ladder)trans-112.7128.6172.3-57.1177.5000107.8Y1 H242 L243 K263 H264 F266 I285Y1-I254 HydrophobicContact CD1-CD1 3.33Å; Y1-I254 HydrophobicContact CE1-CD1 3.16Å; Y1-I254 HydrophobicContact CE2-CD1 4.46Å; Y1-I254 HydrophobicContact CG-CD1 4.1Å; H242-I254 HydrophobicContact CB-CG2 4.31Å; L243-I254 CarbonylContact O-C 3.52Å; L243-I254 VanDerWaalsContact O-CA 3.24Å; L243-I254 WeakPolarHBondContact O-CA 3.37Å; I254-K263 HydrophobicContact CG2-CB 4.31Å; I254-K263 PolarHBondContact O-N 3.49Å; I254-H264 HydrophobicContact CB-CB 4.36Å; I254-H264 HydrophobicContact CD1-CB 4.38Å; I254-H264 PolarHBondContact N-O 3.35Å; I254-H264 PolarHBondContact O-N 3.33Å; I254-F266 HydrophobicContact CD1-CE2 3.94Å; I254-I285 HydrophobicContact CD1-CD1 3.45Å; I254-I285 VanDerWaalsContact CD1-CD1 3.45Å; I254-I285 HydrophobicContact CG1-CD1 3.88Å
255W98.5Very high97.9Very high3 Ų337.8 Ų37.81%0.01120%0.202CC..EExtended strand (participates in β ladder)trans-111.5143.6-179.4-49.489.7000110I209 L224 N225 H227 H242 L243 T245 R253 E262I209-W255 HydrophobicContact CD1-CZ2 3.94Å; L224-W255 HydrophobicContact CB-CD2 4.02Å; L224-W255 HydrophobicContact CB-CE3 3.81Å; L224-W255 HydrophobicContact CB-CH2 4.35Å; L224-W255 HydrophobicContact CB-CZ3 3.98Å; L224-W255 HydrophobicContact CD1-CB 3.89Å; L224-W255 HydrophobicContact CD1-CD2 4.08Å; L224-W255 HydrophobicContact CD1-CE3 4.42Å; L224-W255 HydrophobicContact CD1-CG 3.84Å; L224-W255 HydrophobicContact CD2-CE3 4.29Å; L224-W255 HydrophobicContact CG-CE3 4.4Å; N225-W255 WeakPolarHBondContact O-CH2 3.21Å; N225-W255 WeakPolarHBondContact O-CZ3 3.42Å; H227-W255 AromaticContact CD2-CZ2 3.97Å; H242-W255 WeakPolarHBondContact CA-O 3.39Å; L243-W255 HydrophobicContact CB-CB 4.28Å; L243-W255 PolarHBondContact N-O 3Å; L243-W255 VanDerWaalsContact N-O 3.12Å; L243-W255 PolarHBondContact O-N 2.78Å; T245-W255 PolarHBondContact OG1-NE1 2.93Å; R253-W255 HydrophobicContact CB-CZ2 3.84Å; R253-W255 HydrophobicContact CG-CZ2 4.35Å; W255-E262 HydrophobicContact CE3-CB 4.07Å; W255-E262 HydrophobicContact CZ3-CB 3.91Å
256D97.8Very high97.8Very high9 Ų938.2 Ų38.25%0.04820%0.204CC..EExtended strand (participates in β ladder)trans-103.3116.4168.2-175.7-47000108.6R241 H242 A258 S259 K260 E261 K263R241-D256 IonicContact CZ-OD1 2.78Å; R241-D256 IonicContact CZ-OD2 3.19Å; R241-D256 IonicContact NE-OD1 3.15Å; R241-D256 PolarHBondContact NE-OD1 3.05Å; R241-D256 IonicContact NE-OD2 3.81Å; R241-D256 PolarHBondContact NE-OD2 3.08Å; R241-D256 IonicContact NH2-OD1 3.44Å; R241-D256 IonicContact NH2-OD2 3.89Å; R241-D256 PolarHBondContact NH2-OD2 2.88Å; H242-D256 IonicContact NE2-OD2 3.7Å; D256-A258 VanDerWaalsContact C-N 3.28Å; D256-A258 PolarHBondContact O-N 3.29Å; D256-A258 WeakPolarHBondContact OD1-CA 3.45Å; D256-A258 VanDerWaalsContact OD1-CB 3.3Å; D256-A258 WeakPolarHBondContact OD1-CB 3.04Å; D256-A258 PolarHBondContact OD1-N 3.1Å; D256-S259 WeakPolarHBondContact CB-OG 3.11Å; D256-S259 PolarHBondContact OD1-N 3.48Å; D256-S259 VanDerWaalsContact OD1-N 3.16Å; D256-K260 VanDerWaalsContact O-CA 3.23Å; D256-K260 WeakPolarHBondContact O-CA 3.07Å; D256-K260 PolarHBondContact O-N 2.82Å; D256-E261 PolarHBondContact N-O 2.93Å; D256-E261 PolarHBondContact O-N 2.84Å; D256-K263 HydrophobicContact CB-CB 4.49Å
257L97.5Very high97.7Very high19 Ų1943.7 Ų43.710%0.09923%0.233CC..THydrogen-bonded Turntrans-72.1-22-176.2-61.4-175.1000113.5L199 V211 I221 L224 F236 R241 L243L199-L257 HydrophobicContact CD1-CD1 4.19Å; V211-L257 HydrophobicContact CG2-CD2 4.13Å; I221-L257 HydrophobicContact CD1-CB 4.13Å; I221-L257 HydrophobicContact CD1-CD2 3.7Å; I221-L257 HydrophobicContact CD1-CG 4.44Å; L224-L257 HydrophobicContact CD1-CD2 4.11Å; F236-L257 HydrophobicContact CD1-CD1 4.47Å; F236-L257 HydrophobicContact CE1-CD1 3.45Å; F236-L257 VanDerWaalsContact CE1-CD1 3.45Å; F236-L257 HydrophobicContact CZ-CD1 3.94Å; R241-L257 WeakPolarHBondContact O-CB 3.22Å; R241-L257 VanDerWaalsContact O-CG 3.24Å; R241-L257 WeakPolarHBondContact O-CG 3.34Å; R241-L257 PolarHBondContact O-N 3.01Å; L243-L257 HydrophobicContact CD1-CD2 3.74Å; L243-L257 HydrophobicContact CG-CD1 4.33Å; L243-L257 HydrophobicContact CG-CD2 3.98Å; L243-L257 HydrophobicContact CG-CG 4.36Å
258A96.1Very high97.6Very high76 Ų7645.8 Ų45.863%0.62825%0.246SC*.THydrogen-bonded Turntrans-75.9-44.5178.900000111.1D256D256-A258 VanDerWaalsContact C-N 3.28Å; D256-A258 PolarHBondContact O-N 3.29Å; D256-A258 WeakPolarHBondContact OD1-CA 3.45Å; D256-A258 VanDerWaalsContact OD1-CB 3.3Å; D256-A258 WeakPolarHBondContact OD1-CB 3.04Å; D256-A258 PolarHBondContact OD1-N 3.1Å
259S96.6Very high97.6Very high58 Ų5844.9 Ų44.941%0.40624%0.239SC..THydrogen-bonded Turntrans-82.3-19173.163.10000113.2D256 E261D256-S259 WeakPolarHBondContact CB-OG 3.11Å; D256-S259 PolarHBondContact OD1-N 3.48Å; D256-S259 VanDerWaalsContact OD1-N 3.16Å; S259-E261 PolarHBondContact O-N 3.11Å
260K96.6Very high97.5Very high116 Ų11650.6 Ų50.650%0.50427%0.265SS..THydrogen-bonded Turntrans60.532.2-172.5-50.2-178.6-176.6-171.20112.7I221 L224 D256I221-K260 HydrophobicContact CD1-CG 4.18Å; I221-K260 HydrophobicContact CG1-CD 4.15Å; I221-K260 HydrophobicContact CG1-CG 4.27Å; L224-K260 HydrophobicContact CD2-CB 4.37Å; D256-K260 VanDerWaalsContact O-CA 3.23Å; D256-K260 WeakPolarHBondContact O-CA 3.07Å; D256-K260 PolarHBondContact O-N 2.82Å
261E96Very high97.5Very high131 Ų13152 Ų5261%0.61227%0.27SS*.EExtended strand (participates in β ladder)trans-123.9158.9-175.6-69.2177.8166.500111.1D256 S259 K263D256-E261 PolarHBondContact N-O 2.93Å; D256-E261 PolarHBondContact O-N 2.84Å; S259-E261 PolarHBondContact O-N 3.11Å; E261-K263 PolarHBondContact O-N 2.76Å
262E97.5Very high97.5Very high76 Ų7655 Ų5536%0.35528%0.284SS..EExtended strand (participates in β ladder)trans-65.7125.1166.1177176.3119.400109.9R253 W255 C265R253-E262 VanDerWaalsContact CD-OE2 3.27Å; R253-E262 WeakPolarHBondContact CD-OE2 3.21Å; R253-E262 IonicContact CZ-OE2 3.4Å; R253-E262 IonicContact NE-OE2 3.72Å; R253-E262 IonicContact NH1-OE1 3.54Å; R253-E262 IonicContact NH1-OE2 2.76Å; R253-E262 PolarHBondContact NH1-OE2 3.2Å; W255-E262 HydrophobicContact CE3-CB 4.07Å; W255-E262 HydrophobicContact CZ3-CB 3.91Å; E262-C265 WeakPolarHBondContact OE1-CB 3.26Å
263K96.5Very high97.5Very high89 Ų8955 Ų5539%0.38728%0.284SS..EExtended strand (participates in β ladder)trans-89.2-36.4173.8-170.6177.7-174.7-168.60111.9Y1 H242 I254 D256 E261Y1-K263 HydrophobicContact CE2-CD 3.8Å; Y1-K263 HydrophobicContact CE2-CG 3.99Å; Y1-K263 WeakPolarHBondContact OH-CD 3.06Å; Y1-K263 WeakPolarHBondContact OH-CE 3.43Å; Y1-K263 PolarHBondContact OH-NZ 3.01Å; H242-K263 PolarHBondContact CE1-NZ 3.09Å; H242-K263 WeakPolarHBondContact NE2-CD 3.31Å; H242-K263 PolarHBondContact NE2-NZ 2.93Å; I254-K263 HydrophobicContact CG2-CB 4.31Å; I254-K263 PolarHBondContact O-N 3.49Å; D256-K263 HydrophobicContact CB-CB 4.49Å; E261-K263 PolarHBondContact O-N 2.76Å
264H97.6Very high97.5Very high61 Ų6155.9 Ų55.928%0.28229%0.287SS..EExtended strand (participates in β ladder)trans-159.9153.2-179.7-159.466.9000112Y1 R253 I254 F266Y1-H264 VanDerWaalsContact CB-CD2 3.43Å; Y1-H264 WeakPolarHBondContact CB-CD2 3.4Å; Y1-H264 HydrophobicContact CD2-CB 3.78Å; Y1-H264 AromaticContact CD2-CG 3.93Å; Y1-H264 HydrophobicContact CE2-CB 4.3Å; Y1-H264 HydrophobicContact CG-CB 4.07Å; Y1-H264 AromaticContact CG-CG 3.94Å; R253-H264 WeakPolarHBondContact CA-O 3.43Å; I254-H264 HydrophobicContact CB-CB 4.36Å; I254-H264 HydrophobicContact CD1-CB 4.38Å; I254-H264 PolarHBondContact N-O 3.35Å; I254-H264 PolarHBondContact O-N 3.33Å; H264-F266 AromaticContact CD2-CD1 3.81Å; H264-F266 AromaticContact CD2-CE1 3.48Å; H264-F266 VanDerWaalsContact CD2-CE1 3.48Å; H264-F266 WeakPolarHBondContact CD2-CE1 3.43Å; H264-F266 AromaticContact CD2-CE2 3.81Å; H264-F266 AromaticContact CD2-CZ 3.5Å; H264-F266 VanDerWaalsContact CD2-CZ 3.5Å; H264-F266 WeakPolarHBondContact CD2-CZ 3.4Å; H264-F266 AromaticContact NE2-CD1 3.72Å; H264-F266 AromaticContact NE2-CE1 3.42Å; H264-F266 WeakPolarHBondContact NE2-CE1 3.27Å; H264-F266 AromaticContact NE2-CZ 3.91Å
265C98Very high97.5Very high25 Ų2556.1 Ų56.117%0.16929%0.289CS..EExtended strand (participates in β ladder)trans-136.5121.7175.6176.70000110.5R253 E262 N267R253-C265 HydrophobicContact CG-CB 4.12Å; E262-C265 WeakPolarHBondContact OE1-CB 3.26Å; C265-N267 PolarHBondContact SG-ND2 2.78Å; C265-N267 VanDerWaalsContact SG-ND2 3.41Å
266F98Very high97.5Very high9 Ų956 Ų564%0.03929%0.288CS..EExtended strand (participates in β ladder)trans-93.5119.6170.9-58.2-75.1000109.4Y1 S251 V252 I254 H264 Y297Y1-F266 HydrophobicContact CD1-CZ 4.3Å; Y1-F266 HydrophobicContact CG-CZ 4.41Å; S251-F266 WeakPolarHBondContact CA-O 3.34Å; V252-F266 HydrophobicContact CB-CB 4.31Å; V252-F266 HydrophobicContact CB-CD2 4.38Å; V252-F266 HydrophobicContact CG1-CD2 4.34Å; V252-F266 PolarHBondContact N-O 3.42Å; V252-F266 PolarHBondContact O-N 3.15Å; I254-F266 HydrophobicContact CD1-CE2 3.94Å; H264-F266 AromaticContact CD2-CD1 3.81Å; H264-F266 AromaticContact CD2-CE1 3.48Å; H264-F266 VanDerWaalsContact CD2-CE1 3.48Å; H264-F266 WeakPolarHBondContact CD2-CE1 3.43Å; H264-F266 AromaticContact CD2-CE2 3.81Å; H264-F266 AromaticContact CD2-CZ 3.5Å; H264-F266 VanDerWaalsContact CD2-CZ 3.5Å; H264-F266 WeakPolarHBondContact CD2-CZ 3.4Å; H264-F266 AromaticContact NE2-CD1 3.72Å; H264-F266 AromaticContact NE2-CE1 3.42Å; H264-F266 WeakPolarHBondContact NE2-CE1 3.27Å; H264-F266 AromaticContact NE2-CZ 3.91Å; F266-Y297 HydrophobicContact CB-CD1 4.36Å; F266-Y297 HydrophobicContact CB-CE1 3.84Å; F266-Y297 HydrophobicContact CB-CE2 4.42Å; F266-Y297 AromaticContact CD1-CD1 3.51Å; F266-Y297 HydrophobicContact CD1-CD1 3.51Å; F266-Y297 AromaticContact CD1-CE1 3.79Å; F266-Y297 HydrophobicContact CD1-CE1 3.79Å; F266-Y297 HydrophobicContact CD1-CG 4.1Å; F266-Y297 HydrophobicContact CD2-CD1 4Å; F266-Y297 AromaticContact CD2-CD2 3.89Å; F266-Y297 HydrophobicContact CD2-CD2 3.89Å; F266-Y297 HydrophobicContact CD2-CE1 4.24Å; F266-Y297 HydrophobicContact CD2-CE2 4.07Å; F266-Y297 AromaticContact CD2-CG 3.84Å; F266-Y297 HydrophobicContact CD2-CG 3.84Å; F266-Y297 AromaticContact CE1-CD1 3.61Å; F266-Y297 HydrophobicContact CE1-CD1 3.61Å; F266-Y297 HydrophobicContact CE1-CE1 4.36Å; F266-Y297 AromaticContact CE1-CG 3.93Å; F266-Y297 HydrophobicContact CE1-CG 3.93Å; F266-Y297 HydrophobicContact CE2-CD1 4.08Å; F266-Y297 AromaticContact CE2-CD2 3.93Å; F266-Y297 HydrophobicContact CE2-CD2 3.93Å; F266-Y297 AromaticContact CE2-CG 3.64Å; F266-Y297 HydrophobicContact CE2-CG 3.64Å; F266-Y297 AromaticContact CG-CD1 3.71Å; F266-Y297 HydrophobicContact CG-CD1 3.71Å; F266-Y297 HydrophobicContact CG-CD2 4.33Å; F266-Y297 AromaticContact CG-CE1 3.71Å; F266-Y297 HydrophobicContact CG-CE1 3.71Å; F266-Y297 HydrophobicContact CG-CE2 4.28Å; F266-Y297 HydrophobicContact CG-CG 4.05Å; F266-Y297 AromaticContact CG-CZ 4Å; F266-Y297 VanDerWaalsContact CZ-CB 3.46Å; F266-Y297 AromaticContact CZ-CD1 3.88Å; F266-Y297 HydrophobicContact CZ-CD1 3.88Å; F266-Y297 HydrophobicContact CZ-CD2 4.43Å; F266-Y297 AromaticContact CZ-CG 3.68Å; F266-Y297 HydrophobicContact CZ-CG 3.68Å
267N97Very high97.6Very high115 Ų11558.7 Ų58.762%0.61530%0.298SS*.  trans-109.246.1173.4-60-76.2000109.7C265C265-N267 PolarHBondContact SG-ND2 2.78Å; C265-N267 VanDerWaalsContact SG-ND2 3.41Å
268T96.2Very high97.6Very high44 Ų4458.5 Ų58.527%0.2730%0.296SS..  trans-90.1-32.2-174.4-48.30000112T3 I6 M295T3-T268 HydrophobicContact CG2-CG2 4.46Å; I6-T268 HydrophobicContact CD1-CG2 4.05Å; T268-M295 WeakPolarHBondContact CB-SD 3.24Å; T268-M295 HydrophobicContact CG2-CE 3.95Å; T268-M295 HydrophobicContact CG2-SD 3.42Å; T268-M295 WeakPolarHBondContact CG2-SD 3.26Å; T268-M295 WeakPolarHBondContact O-CE 3.45Å
269H98.2Very high97.6Very high10 Ų1055.1 Ų55.15%0.04627%0.267CS..  trans-66.1141.4176.2-81.5-79.3000111.3V273 S287 D291 M295H269-V273 HydrophobicContact CB-CG2 3.54Å; H269-V273 VanDerWaalsContact CD2-CG2 3.46Å; H269-V273 WeakPolarHBondContact CD2-CG2 3.43Å; H269-S287 PolarHBondContact CD2-OG 2.6Å; H269-S287 WeakPolarHBondContact NE2-CB 3.28Å; H269-S287 PolarHBondContact NE2-OG 3.36Å; H269-D291 VanDerWaalsContact CA-OD2 3.26Å; H269-D291 WeakPolarHBondContact CA-OD2 3.39Å; H269-D291 WeakPolarHBondContact CB-OD2 3.25Å; H269-D291 IonicContact CE1-OD1 3.5Å; H269-D291 IonicContact CE1-OD2 3.15Å; H269-D291 IonicContact CG-OD2 2.68Å; H269-D291 VanDerWaalsContact ND1-CG 3.29Å; H269-D291 IonicContact ND1-OD1 2.82Å; H269-D291 PolarHBondContact ND1-OD1 3.21Å; H269-D291 VanDerWaalsContact ND1-OD1 3.15Å; H269-D291 IonicContact ND1-OD2 3.14Å; H269-D291 PolarHBondContact ND1-OD2 2.62Å; H269-M295 HydrophobicContact CB-CE 4.19Å; H269-M295 VanDerWaalsContact CD2-SD 3.55Å
270E97.6Very high97.5Very high153 Ų15354.6 Ų54.672%0.71526%0.263SS*.SBendtrans-94.1-7.4-179-65.7174.4-161.300112K8 D291K8-E270 IonicContact NZ-OE1 3.56Å; E270-D291 HydrophobicContact CB-CB 4.25Å; E270-D291 PolarHBondContact N-OD2 3.11Å
271D98.3Very high97.2Very high69 Ų6953.8 Ų53.837%0.36926%0.261SS..SBendtrans-147.8-175.4179.3-148.4-30.4000110.6C250 V273 D290 D291C250-D271 WeakPolarHBondContact CA-O 3.24Å; C250-D271 WeakPolarHBondContact CB-O 3.4Å; C250-D271 PolarHBondContact SG-O 3.03Å; C250-D271 VanDerWaalsContact SG-O 3.41Å; D271-V273 PolarHBondContact O-N 3.28Å; D271-D290 HydrophobicContact CB-CB 4.02Å; D271-D291 HydrophobicContact CB-CB 3.98Å
272Q98.6Very high97.1Very high62 Ų6248.3 Ų48.329%0.2924%0.239SC..  trans-53.2134.3-177.8-61-179.746.800112.2T248 G289 D290T248-Q272 HydrophobicContact CG2-CB 4.4Å; T248-Q272 HydrophobicContact CG2-CG 4.31Å; Q272-G289 CarbonylContact O-C 3.58Å; Q272-G289 WeakPolarHBondContact O-CA 3.29Å; Q272-D290 PolarHBondContact O-N 3.26Å
273V98.8Very high96.9Very high0 Ų047.7 Ų47.70%024%0.238CC..EExtended strand (participates in β ladder)trans-101.6116.8178.1-164.50000109V232 A246 S247 V252 H269 D271 V288V232-V273 WeakPolarHBondContact CG2-O 3.46Å; A246-V273 HydrophobicContact CB-CB 4Å; A246-V273 HydrophobicContact CB-CG1 3.7Å; S247-V273 CarbonylContact C-O 3.55Å; S247-V273 PolarHBondContact N-O 2.58Å; S247-V273 PolarHBondContact O-N 3.01Å; S247-V273 VanDerWaalsContact O-N 3.08Å; V252-V273 HydrophobicContact CG2-CB 4.49Å; V252-V273 HydrophobicContact CG2-CG1 3.84Å; V252-V273 HydrophobicContact CG2-CG2 4.39Å; H269-V273 HydrophobicContact CB-CG2 3.54Å; H269-V273 VanDerWaalsContact CD2-CG2 3.46Å; H269-V273 WeakPolarHBondContact CD2-CG2 3.43Å; D271-V273 PolarHBondContact O-N 3.28Å; V273-V288 VanDerWaalsContact CG1-O 3.26Å; V273-V288 WeakPolarHBondContact CG1-O 3.34Å
274W98.5Very high96.9Very high49 Ų4943.6 Ų43.619%0.18622%0.221CC..EExtended strand (participates in β ladder)trans-92.2-31-172.2-74.8108.2000113.8W16 V232 T248 V288 D290W16-W274 AromaticContact CD1-CD1 3.73Å; W16-W274 AromaticContact CD1-NE1 3.94Å; W16-W274 AromaticContact NE1-NE1 3.89Å; W16-W274 WeakPolarHBondContact O-CB 3.2Å; V232-W274 HydrophobicContact CB-CE3 4.16Å; V232-W274 HydrophobicContact CB-CZ3 4.41Å; V232-W274 HydrophobicContact CG1-CE3 4.13Å; V232-W274 HydrophobicContact CG1-CZ3 3.9Å; V232-W274 HydrophobicContact CG2-CE3 4.13Å; V232-W274 WeakPolarHBondContact CG2-O 3.45Å; T248-W274 HydrophobicContact CG2-CH2 4.44Å; W274-V288 PolarHBondContact N-O 3.05Å; W274-D290 PolarHBondContact NE1-OD1 2.83Å; W274-D290 PolarHBondContact NE1-OD2 3.41Å
275C98.7Very high97Very high4 Ų440.7 Ų40.73%0.02721%0.207CC..EExtended strand (participates in β ladder)trans-144.8137.6-177.3-1700000110.9C18 S287 V288C18-C275 PolarHBondContact O-SG 2.93Å; C275-S287 CarbonylContact O-C 3.57Å; C275-S287 WeakPolarHBondContact O-CA 3.19Å; C275-V288 HydrophobicContact CB-CG2 3.77Å; C275-V288 PolarHBondContact N-O 3.47Å; C275-V288 PolarHBondContact O-N 2.73Å
276A98.7Very high97Very high0 Ų039.5 Ų39.50%020%0.199CC..EExtended strand (participates in β ladder)trans-139.6137.6167.400000110.7S233 V244 A246 V252 I286S233-A276 PolarHBondContact OG-N 3.03Å; S233-A276 VanDerWaalsContact OG-N 3.12Å; S233-A276 PolarHBondContact OG-O 3.21Å; S233-A276 VanDerWaalsContact OG-O 3.04Å; V244-A276 HydrophobicContact CG2-CB 4.03Å; A246-A276 HydrophobicContact CB-CB 3.8Å; V252-A276 HydrophobicContact CG1-CB 4.14Å; A276-I286 CarbonylContact C-O 3.54Å; A276-I286 WeakPolarHBondContact CA-O 3.34Å
277R98.4Very high97Very high66 Ų6639.1 Ų39.125%0.24920%0.198CC..EExtended strand (participates in β ladder)trans-141.3149.5-176.2-57.6-68178.4-128.9-5.7110.8S233 V234 D235 I285 I286S233-R277 PolarHBondContact OG-NH1 2.76Å; V234-R277 PolarHBondContact O-NH1 3.47Å; V234-R277 VanDerWaalsContact O-NH1 3.13Å; D235-R277 WeakPolarHBondContact OD2-CA 3.5Å; R277-I285 CarbonylContact O-C 3.58Å; R277-I285 WeakPolarHBondContact O-CA 3.26Å; R277-I286 HydrophobicContact CB-CG2 3.84Å; R277-I286 PolarHBondContact N-O 2.56Å; R277-I286 WeakPolarHBondContact O-CG2 3.47Å; R277-I286 PolarHBondContact O-N 2.91Å
278Y98Very high97.1Very high15 Ų1533.6 Ų33.66%0.05917%0.168CC..EExtended strand (participates in β ladder)trans-74.2151.3165.3-78.2-81000110.9D235 F236 A237 V244 I285D235-Y278 PolarHBondContact OD2-N 2.78Å; F236-Y278 WeakPolarHBondContact O-CD2 3.48Å; A237-Y278 HydrophobicContact CB-CD1 4.33Å; A237-Y278 HydrophobicContact CB-CD2 4.07Å; A237-Y278 HydrophobicContact CB-CE1 3.96Å; A237-Y278 HydrophobicContact CB-CE2 3.68Å; A237-Y278 HydrophobicContact CB-CG 4.38Å; V244-Y278 HydrophobicContact CB-CD2 4.25Å; V244-Y278 HydrophobicContact CB-CE2 3.6Å; V244-Y278 HydrophobicContact CG1-CD2 3.56Å; V244-Y278 HydrophobicContact CG1-CE2 3.41Å; V244-Y278 VanDerWaalsContact CG1-CE2 3.41Å; V244-Y278 HydrophobicContact CG1-CG 4.42Å; Y278-I285 HydrophobicContact CD1-CD1 4.28Å; Y278-I285 HydrophobicContact CD1-CG1 3.59Å; Y278-I285 HydrophobicContact CE1-CD1 3.65Å; Y278-I285 HydrophobicContact CE1-CG1 3.49Å; Y278-I285 VanDerWaalsContact CE1-CG1 3.49Å; Y278-I285 HydrophobicContact CG-CG1 4.28Å
279S96.7Very high97.2Very high5 Ų531.5 Ų31.54%0.03516%0.155CC..  trans-65.8156.9163.768.20000110Q281 G282 N283 N284S279-Q281 PolarHBondContact O-N 2.73Å; S279-G282 PolarHBondContact O-N 3.47Å; S279-G282 PolarHBondContact OG-N 3.08Å; S279-N283 PolarHBondContact OG-N 3.21Å; S279-N283 PolarHBondContact OG-OD1 3.15Å; S279-N284 PolarHBondContact N-O 3.4Å; S279-N284 PolarHBondContact OG-N 3.22Å; S279-N284 PolarHBondContact OG-O 2.99Å
280P93.4Very high97.2Very high48 Ų4833 Ų3331%0.31216%0.164SC..THydrogen-bonded Turntrans-53.7-26.4176.9-3035.7000114.9W20 E22W20-P280 VanDerWaalsContact CD1-CD 3.47Å; W20-P280 WeakPolarHBondContact O-CG 3.12Å; E22-P280 HydrophobicContact CB-CB 4.34Å; E22-P280 HydrophobicContact CB-CG 4.12Å; E22-P280 HydrophobicContact CG-CB 3.83Å; E22-P280 HydrophobicContact CG-CG 4.06Å
281Q91.1Very high97.2Very high99 Ų9927.2 Ų27.246%0.46314%0.137SC..THydrogen-bonded Turntrans-90.1-7179-65172.76.800113.2S279 N283S279-Q281 PolarHBondContact O-N 2.73Å; Q281-N283 PolarHBondContact O-N 3.16Å; Q281-N283 PolarHBondContact OE1-ND2 3.41Å
282G92.5Very high97.2Very high15 Ų1528.7 Ų28.716%0.15514%0.138CC..SBendtrans71.64.2-178.300000115S279S279-G282 PolarHBondContact O-N 3.47Å; S279-G282 PolarHBondContact OG-N 3.08Å
283N93.7Very high97.2Very high63 Ų6326 Ų2634%0.33713%0.126SC..SBendtrans-91.2-15.7-174.861.2-4.8000114S279 Q281 C299S279-N283 PolarHBondContact OG-N 3.21Å; S279-N283 PolarHBondContact OG-OD1 3.15Å; Q281-N283 PolarHBondContact O-N 3.16Å; Q281-N283 PolarHBondContact OE1-ND2 3.41Å; N283-C299 WeakPolarHBondContact O-CB 3.18Å; N283-C299 PolarHBondContact O-N 2.94Å
284N97.1Very high97.2Very high4 Ų426 Ų262%0.02113%0.126CC..EExtended strand (participates in β ladder)trans-133159.8176.3-55.4-78.6000109.8K4 W20 S279 I296 Y297K4-N284 PolarHBondContact NZ-OD1 3.16Å; W20-N284 HydrophobicContact CH2-CB 3.56Å; W20-N284 HydrophobicContact CZ2-CB 4.48Å; W20-N284 HydrophobicContact CZ3-CB 3.86Å; S279-N284 PolarHBondContact N-O 3.4Å; S279-N284 PolarHBondContact OG-N 3.22Å; S279-N284 PolarHBondContact OG-O 2.99Å; N284-I296 HydrophobicContact CB-CG2 4.05Å; N284-Y297 CarbonylContact C-O 3.55Å; N284-Y297 WeakPolarHBondContact CA-O 3.47Å; N284-Y297 WeakPolarHBondContact CB-O 3.41Å
285I98.4Very high97.2Very high0 Ų023.9 Ų23.90%012%0.118CC..EExtended strand (participates in β ladder)trans-121.3137.3171.3-70.3160.1000107.1V244 V252 I254 R277 Y278 I296 Y297V244-I285 HydrophobicContact CB-CD1 4.21Å; V244-I285 HydrophobicContact CG2-CD1 3.98Å; V244-I285 HydrophobicContact CG2-CG1 4.37Å; V244-I285 HydrophobicContact CG2-CG2 3.79Å; V252-I285 HydrophobicContact CG1-CG2 4.43Å; I254-I285 HydrophobicContact CD1-CD1 3.45Å; I254-I285 VanDerWaalsContact CD1-CD1 3.45Å; I254-I285 HydrophobicContact CG1-CD1 3.88Å; R277-I285 CarbonylContact O-C 3.58Å; R277-I285 WeakPolarHBondContact O-CA 3.26Å; Y278-I285 HydrophobicContact CD1-CD1 4.28Å; Y278-I285 HydrophobicContact CD1-CG1 3.59Å; Y278-I285 HydrophobicContact CE1-CD1 3.65Å; Y278-I285 HydrophobicContact CE1-CG1 3.49Å; Y278-I285 VanDerWaalsContact CE1-CG1 3.49Å; Y278-I285 HydrophobicContact CG-CG1 4.28Å; I285-I296 CarbonylContact O-C 3.51Å; I285-I296 VanDerWaalsContact O-CA 3.29Å; I285-I296 WeakPolarHBondContact O-CA 3.43Å; I285-Y297 HydrophobicContact CB-CD2 4.13Å; I285-Y297 HydrophobicContact CG2-CD2 3.88Å; I285-Y297 PolarHBondContact N-O 3.18Å; I285-Y297 PolarHBondContact O-N 3.21Å
286I98.5Very high97.2Very high0 Ų023.7 Ų23.70%012%0.117CC..EExtended strand (participates in β ladder)trans-100.5143164.3-178.2170.1000109.6C18 W20 I31 A276 R277 V288 I294 M295 I296C18-I286 HydrophobicContact CB-CD1 4.17Å; W20-I286 HydrophobicContact CB-CG2 4.44Å; W20-I286 HydrophobicContact CE3-CB 3.71Å; W20-I286 HydrophobicContact CE3-CG2 3.72Å; W20-I286 HydrophobicContact CZ3-CB 3.93Å; W20-I286 HydrophobicContact CZ3-CG2 4.42Å; I31-I286 HydrophobicContact CB-CD1 4.32Å; I31-I286 HydrophobicContact CD1-CD1 4.05Å; I31-I286 HydrophobicContact CG1-CD1 4.11Å; I31-I286 HydrophobicContact CG2-CD1 3.29Å; A276-I286 CarbonylContact C-O 3.54Å; A276-I286 WeakPolarHBondContact CA-O 3.34Å; R277-I286 HydrophobicContact CB-CG2 3.84Å; R277-I286 PolarHBondContact N-O 2.56Å; R277-I286 WeakPolarHBondContact O-CG2 3.47Å; R277-I286 PolarHBondContact O-N 2.91Å; I286-V288 HydrophobicContact CD1-CG1 4.41Å; I286-V288 HydrophobicContact CG1-CG1 4.35Å; I286-I294 HydrophobicContact CD1-CG2 3.65Å; I286-I294 HydrophobicContact CG1-CG2 3.79Å; I286-M295 CarbonylContact C-O 3.59Å; I286-M295 WeakPolarHBondContact CA-O 3.42Å; I286-I296 HydrophobicContact CB-CD1 3.66Å; I286-I296 HydrophobicContact CD1-CD1 4.04Å; I286-I296 HydrophobicContact CG1-CD1 3.68Å
287S98.8Very high97.1Very high0 Ų023.7 Ų23.70%012%0.117CC..EExtended strand (participates in β ladder)trans-137152.9162.263.10000112.2H269 C275 M295 Y297H269-S287 PolarHBondContact CD2-OG 2.6Å; H269-S287 WeakPolarHBondContact NE2-CB 3.28Å; H269-S287 PolarHBondContact NE2-OG 3.36Å; C275-S287 CarbonylContact O-C 3.57Å; C275-S287 WeakPolarHBondContact O-CA 3.19Å; S287-M295 PolarHBondContact N-O 2.9Å; S287-M295 PolarHBondContact O-N 3.22Å; S287-Y297 WeakPolarHBondContact OG-CE2 3.34Å; S287-Y297 PolarHBondContact OG-OH 3Å
288V98.8Very high97Very high0 Ų024.5 Ų24.50%012%0.123CC..EExtended strand (participates in β ladder)trans-142.8150.9-179.2-600000110.5I15 C18 T33 V273 W274 C275 I286 I294I15-V288 HydrophobicContact CB-CB 3.84Å; I15-V288 HydrophobicContact CB-CG2 4.19Å; I15-V288 HydrophobicContact CD1-CB 4.38Å; I15-V288 HydrophobicContact CD1-CG1 4.48Å; I15-V288 HydrophobicContact CG2-CB 3.58Å; I15-V288 HydrophobicContact CG2-CG1 3.99Å; I15-V288 HydrophobicContact CG2-CG2 3.64Å; C18-V288 HydrophobicContact CB-CG1 3.92Å; C18-V288 HydrophobicContact CB-CG2 3.86Å; T33-V288 HydrophobicContact CG2-CG1 4.04Å; V273-V288 VanDerWaalsContact CG1-O 3.26Å; V273-V288 WeakPolarHBondContact CG1-O 3.34Å; W274-V288 PolarHBondContact N-O 3.05Å; C275-V288 HydrophobicContact CB-CG2 3.77Å; C275-V288 PolarHBondContact N-O 3.47Å; C275-V288 PolarHBondContact O-N 2.73Å; I286-V288 HydrophobicContact CD1-CG1 4.41Å; I286-V288 HydrophobicContact CG1-CG1 4.35Å; V288-I294 HydrophobicContact CG1-CB 4.34Å; V288-I294 HydrophobicContact CG1-CG1 4.01Å; V288-I294 HydrophobicContact CG1-CG2 4.15Å
289G98.3Very high96.7Very high0 Ų024.8 Ų24.80%013%0.127CC..EExtended strand (participates in β ladder)trans-160.2-172.8-175.100000115.5I15 Q272 D291 R292I15-G289 PolarHBondContact N-O 2.94Å; Q272-G289 CarbonylContact O-C 3.58Å; Q272-G289 WeakPolarHBondContact O-CA 3.29Å; G289-D291 PolarHBondContact O-N 3.43Å; G289-R292 PolarHBondContact O-N 3.26Å; G289-R292 VanDerWaalsContact O-N 3.1Å
290D98.5Very high96Very high42 Ų4230.1 Ų30.123%0.22517%0.172CC..THydrogen-bonded Turntrans-68.6-15.9-179.6-79-24.1000113.4D271 Q272 W274 R292D271-D290 HydrophobicContact CB-CB 4.02Å; Q272-D290 PolarHBondContact O-N 3.26Å; W274-D290 PolarHBondContact NE1-OD1 2.83Å; W274-D290 PolarHBondContact NE1-OD2 3.41Å; D290-R292 WeakPolarHBondContact O-CG 3.28Å; D290-R292 PolarHBondContact O-N 3.2Å; D290-R292 VanDerWaalsContact O-N 3.11Å
291D98.2Very high96.1Very high30 Ų3029.3 Ų29.316%0.1617%0.165CC..THydrogen-bonded Turntrans-71.31.417069.39.8000113.6H269 E270 D271 G289 S293H269-D291 VanDerWaalsContact CA-OD2 3.26Å; H269-D291 WeakPolarHBondContact CA-OD2 3.39Å; H269-D291 WeakPolarHBondContact CB-OD2 3.25Å; H269-D291 IonicContact CE1-OD1 3.5Å; H269-D291 IonicContact CE1-OD2 3.15Å; H269-D291 IonicContact CG-OD2 2.68Å; H269-D291 VanDerWaalsContact ND1-CG 3.29Å; H269-D291 IonicContact ND1-OD1 2.82Å; H269-D291 PolarHBondContact ND1-OD1 3.21Å; H269-D291 VanDerWaalsContact ND1-OD1 3.15Å; H269-D291 IonicContact ND1-OD2 3.14Å; H269-D291 PolarHBondContact ND1-OD2 2.62Å; E270-D291 HydrophobicContact CB-CB 4.25Å; E270-D291 PolarHBondContact N-OD2 3.11Å; D271-D291 HydrophobicContact CB-CB 3.98Å; G289-D291 PolarHBondContact O-N 3.43Å; D291-S293 PolarHBondContact O-N 3.09Å; D291-S293 WeakPolarHBondContact OD1-CB 3.17Å; D291-S293 PolarHBondContact OD1-N 3.26Å; D291-S293 PolarHBondContact OD1-OG 3.29Å; D291-S293 PolarHBondContact OD2-OG 3.24Å
292R98.4Very high96.4Very high101 Ų10125.6 Ų25.638%0.38115%0.149SC..  trans64.723175.1-45.2176.9-79.3-170.5-8.5113Q9 A10 K12 E13 G289 D290Q9-R292 WeakPolarHBondContact CA-O 3.2Å; Q9-R292 PolarHBondContact N-O 3.37Å; A10-R292 PolarHBondContact N-O 3.38Å; K12-R292 WeakPolarHBondContact O-CD 3.22Å; K12-R292 PolarHBondContact O-NH1 3.27Å; K12-R292 VanDerWaalsContact O-NH1 3.11Å; E13-R292 WeakPolarHBondContact O-CG 3.48Å; G289-R292 PolarHBondContact O-N 3.26Å; G289-R292 VanDerWaalsContact O-N 3.1Å; D290-R292 WeakPolarHBondContact O-CG 3.28Å; D290-R292 PolarHBondContact O-N 3.2Å; D290-R292 VanDerWaalsContact O-N 3.11Å
293S98Very high96.6Very high4 Ų426.2 Ų26.23%0.02815%0.149CC..  trans-111.5149.5-177.677.30000112.2Q7 D291 M295Q7-S293 VanDerWaalsContact O-CA 3.29Å; Q7-S293 WeakPolarHBondContact O-CA 3.15Å; D291-S293 PolarHBondContact O-N 3.09Å; D291-S293 WeakPolarHBondContact OD1-CB 3.17Å; D291-S293 PolarHBondContact OD1-N 3.26Å; D291-S293 PolarHBondContact OD1-OG 3.29Å; D291-S293 PolarHBondContact OD2-OG 3.24Å; S293-M295 WeakPolarHBondContact OG-CE 3.38Å
294I98.5Very high96.7Very high0 Ų024 Ų240%014%0.138CC..EExtended strand (participates in β ladder)trans-104.1125.2165.3-52168.5000107Q7 A10 I15 T33 W43 L50 I286 V288 I296Q7-I294 HydrophobicContact CB-CB 4.19Å; Q7-I294 PolarHBondContact N-O 3.09Å; Q7-I294 PolarHBondContact O-N 2.61Å; A10-I294 HydrophobicContact CB-CD1 3.67Å; A10-I294 HydrophobicContact CB-CG1 3.72Å; I15-I294 HydrophobicContact CD1-CG1 3.99Å; T33-I294 HydrophobicContact CG2-CD1 3.6Å; T33-I294 HydrophobicContact CG2-CG1 3.97Å; W43-I294 HydrophobicContact CD2-CD1 4.1Å; W43-I294 VanDerWaalsContact CE2-CD1 3.49Å; W43-I294 HydrophobicContact CG-CD1 4.49Å; W43-I294 HydrophobicContact CH2-CD1 4.46Å; W43-I294 HydrophobicContact CZ2-CD1 3.72Å; L50-I294 HydrophobicContact CD1-CB 4.04Å; L50-I294 HydrophobicContact CD1-CD1 4.2Å; L50-I294 HydrophobicContact CD1-CG2 3.77Å; I286-I294 HydrophobicContact CD1-CG2 3.65Å; I286-I294 HydrophobicContact CG1-CG2 3.79Å; V288-I294 HydrophobicContact CG1-CB 4.34Å; V288-I294 HydrophobicContact CG1-CG1 4.01Å; V288-I294 HydrophobicContact CG1-CG2 4.15Å; I294-I296 HydrophobicContact CG2-CD1 4.19Å
295M98.2Very high96.7Very high6 Ų625.3 Ų25.33%0.0315%0.145CC..EExtended strand (participates in β ladder)trans-112.7133.7174.7-55.5-166.2-179.500109.7T268 H269 I286 S287 S293 Y297T268-M295 WeakPolarHBondContact CB-SD 3.24Å; T268-M295 HydrophobicContact CG2-CE 3.95Å; T268-M295 HydrophobicContact CG2-SD 3.42Å; T268-M295 WeakPolarHBondContact CG2-SD 3.26Å; T268-M295 WeakPolarHBondContact O-CE 3.45Å; H269-M295 HydrophobicContact CB-CE 4.19Å; H269-M295 VanDerWaalsContact CD2-SD 3.55Å; I286-M295 CarbonylContact C-O 3.59Å; I286-M295 WeakPolarHBondContact CA-O 3.42Å; S287-M295 PolarHBondContact N-O 2.9Å; S287-M295 PolarHBondContact O-N 3.22Å; S293-M295 WeakPolarHBondContact OG-CE 3.38Å; M295-Y297 HydrophobicContact CB-CE1 4.09Å; M295-Y297 HydrophobicContact CB-CE2 4.14Å; M295-Y297 WeakPolarHBondContact CB-OH 3.42Å; M295-Y297 HydrophobicContact SD-CE1 4.48Å; M295-Y297 PolarHBondContact SD-OH 3.18Å
296I98.2Very high96.6Very high0 Ų026.9 Ų26.90%016%0.155CC..EExtended strand (participates in β ladder)trans-116.6123.7172.8-51-66.4000108.3K4 C5 W20 I31 W45 L50 N284 I285 I286 I294K4-I296 WeakPolarHBondContact CA-O 3.36Å; K4-I296 WeakPolarHBondContact CB-O 3.43Å; K4-I296 PolarHBondContact N-O 3.17Å; C5-I296 HydrophobicContact CB-CB 4.06Å; C5-I296 HydrophobicContact CB-CG1 4.25Å; C5-I296 PolarHBondContact N-O 3.13Å; C5-I296 VanDerWaalsContact N-O 3.14Å; C5-I296 PolarHBondContact O-N 2.81Å; W20-I296 HydrophobicContact CH2-CD1 4.09Å; W20-I296 HydrophobicContact CH2-CG2 3.83Å; W20-I296 HydrophobicContact CZ3-CD1 3.74Å; W20-I296 HydrophobicContact CZ3-CG2 4.05Å; I31-I296 HydrophobicContact CD1-CD1 3.89Å; W45-I296 HydrophobicContact CE3-CG1 4.33Å; W45-I296 HydrophobicContact CH2-CB 3.84Å; W45-I296 HydrophobicContact CH2-CG1 3.94Å; W45-I296 HydrophobicContact CH2-CG2 3.58Å; W45-I296 HydrophobicContact CZ2-CB 4.46Å; W45-I296 HydrophobicContact CZ2-CG2 3.69Å; W45-I296 HydrophobicContact CZ3-CB 4.19Å; W45-I296 HydrophobicContact CZ3-CG1 3.75Å; W45-I296 HydrophobicContact CZ3-CG2 4.24Å; L50-I296 HydrophobicContact CD1-CG1 4.38Å; N284-I296 HydrophobicContact CB-CG2 4.05Å; I285-I296 CarbonylContact O-C 3.51Å; I285-I296 VanDerWaalsContact O-CA 3.29Å; I285-I296 WeakPolarHBondContact O-CA 3.43Å; I286-I296 HydrophobicContact CB-CD1 3.66Å; I286-I296 HydrophobicContact CD1-CD1 4.04Å; I286-I296 HydrophobicContact CG1-CD1 3.68Å; I294-I296 HydrophobicContact CG2-CD1 4.19Å
297Y97.8Very high96.5Very high0 Ų028.9 Ų28.90%017%0.166CC..EExtended strand (participates in β ladder)trans-108.5145.4176.1-44.7-75.6000110.4S2 T3 V252 F266 N284 I285 S287 M295S2-Y297 CarbonylContact O-C 3.55Å; S2-Y297 VanDerWaalsContact O-CA 3.31Å; S2-Y297 WeakPolarHBondContact O-CA 3.45Å; T3-Y297 HydrophobicContact CG2-CD1 4.24Å; T3-Y297 HydrophobicContact CG2-CE1 4.24Å; V252-Y297 HydrophobicContact CB-CE2 4.35Å; V252-Y297 HydrophobicContact CG1-CE2 4.33Å; V252-Y297 HydrophobicContact CG2-CE2 4.29Å; F266-Y297 HydrophobicContact CB-CD1 4.36Å; F266-Y297 HydrophobicContact CB-CE1 3.84Å; F266-Y297 HydrophobicContact CB-CE2 4.42Å; F266-Y297 AromaticContact CD1-CD1 3.51Å; F266-Y297 HydrophobicContact CD1-CD1 3.51Å; F266-Y297 AromaticContact CD1-CE1 3.79Å; F266-Y297 HydrophobicContact CD1-CE1 3.79Å; F266-Y297 HydrophobicContact CD1-CG 4.1Å; F266-Y297 HydrophobicContact CD2-CD1 4Å; F266-Y297 AromaticContact CD2-CD2 3.89Å; F266-Y297 HydrophobicContact CD2-CD2 3.89Å; F266-Y297 HydrophobicContact CD2-CE1 4.24Å; F266-Y297 HydrophobicContact CD2-CE2 4.07Å; F266-Y297 AromaticContact CD2-CG 3.84Å; F266-Y297 HydrophobicContact CD2-CG 3.84Å; F266-Y297 AromaticContact CE1-CD1 3.61Å; F266-Y297 HydrophobicContact CE1-CD1 3.61Å; F266-Y297 HydrophobicContact CE1-CE1 4.36Å; F266-Y297 AromaticContact CE1-CG 3.93Å; F266-Y297 HydrophobicContact CE1-CG 3.93Å; F266-Y297 HydrophobicContact CE2-CD1 4.08Å; F266-Y297 AromaticContact CE2-CD2 3.93Å; F266-Y297 HydrophobicContact CE2-CD2 3.93Å; F266-Y297 AromaticContact CE2-CG 3.64Å; F266-Y297 HydrophobicContact CE2-CG 3.64Å; F266-Y297 AromaticContact CG-CD1 3.71Å; F266-Y297 HydrophobicContact CG-CD1 3.71Å; F266-Y297 HydrophobicContact CG-CD2 4.33Å; F266-Y297 AromaticContact CG-CE1 3.71Å; F266-Y297 HydrophobicContact CG-CE1 3.71Å; F266-Y297 HydrophobicContact CG-CE2 4.28Å; F266-Y297 HydrophobicContact CG-CG 4.05Å; F266-Y297 AromaticContact CG-CZ 4Å; F266-Y297 VanDerWaalsContact CZ-CB 3.46Å; F266-Y297 AromaticContact CZ-CD1 3.88Å; F266-Y297 HydrophobicContact CZ-CD1 3.88Å; F266-Y297 HydrophobicContact CZ-CD2 4.43Å; F266-Y297 AromaticContact CZ-CG 3.68Å; F266-Y297 HydrophobicContact CZ-CG 3.68Å; N284-Y297 CarbonylContact C-O 3.55Å; N284-Y297 WeakPolarHBondContact CA-O 3.47Å; N284-Y297 WeakPolarHBondContact CB-O 3.41Å; I285-Y297 HydrophobicContact CB-CD2 4.13Å; I285-Y297 HydrophobicContact CG2-CD2 3.88Å; I285-Y297 PolarHBondContact N-O 3.18Å; I285-Y297 PolarHBondContact O-N 3.21Å; S287-Y297 WeakPolarHBondContact OG-CE2 3.34Å; S287-Y297 PolarHBondContact OG-OH 3Å; M295-Y297 HydrophobicContact CB-CE1 4.09Å; M295-Y297 HydrophobicContact CB-CE2 4.14Å; M295-Y297 WeakPolarHBondContact CB-OH 3.42Å; M295-Y297 HydrophobicContact SD-CE1 4.48Å; M295-Y297 PolarHBondContact SD-OH 3.18Å
298Q95.6Very high96.3Very high83 Ų8331.1 Ų31.139%0.38818%0.179SC..EExtended strand (participates in β ladder)trans-90.3132.3170.6-176.5153.6-1.200110.2Y1 S2 K4Y1-Q298 WeakPolarHBondContact CA-O 3.17Å; S2-Q298 PolarHBondContact N-O 2.89Å; S2-Q298 PolarHBondContact O-N 3.41Å; K4-Q298 HydrophobicContact CB-CB 4.48Å; K4-Q298 HydrophobicContact CD-CB 4.33Å; K4-Q298 VanDerWaalsContact CE-OE1 3.32Å
299C91.9Very high96.1Very high20 Ų2033.7 Ų33.714%0.13519%0.193CC..  trans-74.8149.6173.1-65.10000111.2Y1 N283Y1-C299 HydrophobicContact CD1-CB 4.35Å; Y1-C299 HydrophobicContact CE1-CB 3.84Å; N283-C299 WeakPolarHBondContact O-CB 3.18Å; N283-C299 PolarHBondContact O-N 2.94Å
300A81.6Confident95.9Very high118 Ų11836.7 Ų36.798%0.97521%0.211SC*.  trans-720171.800000111Y1Y1-A300 HydrophobicContact CD1-CB 4.5Å; Y1-A300 HydrophobicContact CD2-CB 3.81Å; Y1-A300 HydrophobicContact CE1-CB 4.35Å; Y1-A300 HydrophobicContact CE2-CB 3.66Å; Y1-A300 HydrophobicContact CG-CB 4.23Å

Retrieved 300 of 300 residues in 1165.9 ms (Link to these results)

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