A0A077ZL10_TRITR Loading...

GTP EFTU D2 and GTP EFTU domain containing protei n

AlphaFold DB , UniProt , Accession A0A077ZL10, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 525 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
1M52.5Low87.1Confident195 Ų19583.5 Ų83.596%0.96143%0.428SS*.  0147.60-83.7172.7172.300107N3M1-N3 PolarHBondContact O-N 2.63Å
2N72.2Confident87.9Confident110 Ų11078.2 Ų78.259%0.58840%0.404SS*.  trans-73.9112.1177-77.320.4000109.2P4 E294N2-P4 WeakPolarHBondContact O-CD 3.33Å; N2-E294 PolarHBondContact ND2-OE1 2.96Å; N2-E294 PolarHBondContact OD1-OE2 3.11Å
3N83.3Confident88.6Confident31 Ų3173.5 Ų73.517%0.16638%0.377CS..  trans-74.3106172176.8-4.9000108.9M1 N5 L6 Q9 T324 E358M1-N3 PolarHBondContact O-N 2.63Å; N3-N5 PolarHBondContact O-N 3.37Å; N3-N5 VanDerWaalsContact O-N 3.13Å; N3-N5 PolarHBondContact OD1-N 2.96Å; N3-L6 HydrophobicContact CB-CB 4.21Å; N3-L6 WeakPolarHBondContact O-CB 3.31Å; N3-L6 PolarHBondContact O-N 2.63Å; N3-L6 PolarHBondContact OD1-N 3.17Å; N3-Q9 PolarHBondContact ND2-OE1 2.93Å; N3-T324 PolarHBondContact ND2-OG1 3.08Å; N3-T324 VanDerWaalsContact ND2-OG1 3.09Å; N3-E358 PolarHBondContact ND2-OE1 3.4Å
4P87Confident89.2Confident119 Ų11969.4 Ų69.477%0.77336%0.355SS*.THydrogen-bonded Turntrans-66.8-17.7-174.329.6-35.7000112.8N2N2-P4 WeakPolarHBondContact O-CD 3.33Å
5N91.7Very high89.7Confident85 Ų8564.8 Ų64.846%0.45533%0.331SS..THydrogen-bonded Turntrans-102.24.4-177.7-61.9-34.8000112.8N3 K7 Q8 Q9N3-N5 PolarHBondContact O-N 3.37Å; N3-N5 VanDerWaalsContact O-N 3.13Å; N3-N5 PolarHBondContact OD1-N 2.96Å; N5-K7 VanDerWaalsContact C-N 3.29Å; N5-K7 PolarHBondContact O-N 3.12Å; N5-Q8 PolarHBondContact O-N 3.11Å; N5-Q9 HydrophobicContact CB-CG 4.37Å; N5-Q9 PolarHBondContact O-N 3.29Å
6L93.1Very high90.1Very high17 Ų1760.8 Ų60.89%0.08931%0.311CS..Hα-helixtrans-48.2-51-174177.261.7000111.9N3 Q8 Q9 V10 V360N3-L6 HydrophobicContact CB-CB 4.21Å; N3-L6 WeakPolarHBondContact O-CB 3.31Å; N3-L6 PolarHBondContact O-N 2.63Å; N3-L6 PolarHBondContact OD1-N 3.17Å; L6-Q8 PolarHBondContact O-N 2.67Å; L6-Q9 PolarHBondContact O-N 3.18Å; L6-V10 HydrophobicContact CD1-CG2 3.84Å; L6-V10 HydrophobicContact CG-CG2 4.31Å; L6-V10 WeakPolarHBondContact O-CB 3.34Å; L6-V10 VanDerWaalsContact O-CG2 3.25Å; L6-V10 WeakPolarHBondContact O-CG2 3.46Å; L6-V10 PolarHBondContact O-N 2.74Å; L6-V360 HydrophobicContact CD1-CB 4.17Å; L6-V360 HydrophobicContact CD1-CG1 3.87Å
7K94.4Very high90.3Very high134 Ų13457.2 Ų57.258%0.58329%0.292SS*.Hα-helixtrans-59.6-44.8-179.4-176.9173.8-177.8177.90112.7N5 V10 D11 Y292N5-K7 VanDerWaalsContact C-N 3.29Å; N5-K7 PolarHBondContact O-N 3.12Å; K7-V10 PolarHBondContact O-N 2.55Å; K7-D11 VanDerWaalsContact O-CB 3.28Å; K7-D11 WeakPolarHBondContact O-CB 3.39Å; K7-D11 PolarHBondContact O-N 3.18Å; K7-Y292 HydrophobicContact CB-CD1 4.2Å; K7-Y292 HydrophobicContact CB-CE1 4.28Å; K7-Y292 HydrophobicContact CG-CD1 4.11Å; K7-Y292 HydrophobicContact CG-CE1 3.78Å
8Q94.9Very high90.5Very high142 Ų14254 Ų5466%0.66428%0.276SS*.Hα-helixtrans-66.3-42.1179.5-176.5-178.15.400111.2N5 L6 S12N5-Q8 PolarHBondContact O-N 3.11Å; L6-Q8 PolarHBondContact O-N 2.67Å; Q8-S12 PolarHBondContact O-N 3.05Å
9Q95.6Very high90.5Very high42 Ų4251.2 Ų51.220%0.19626%0.262CS..Hα-helixtrans-63.2-49.2176.5-69.1170.3-38.700110.2N3 N5 L6 D11 S12 R13 E358 V360N3-Q9 PolarHBondContact ND2-OE1 2.93Å; N5-Q9 HydrophobicContact CB-CG 4.37Å; N5-Q9 PolarHBondContact O-N 3.29Å; L6-Q9 PolarHBondContact O-N 3.18Å; Q9-D11 PolarHBondContact O-N 3.08Å; Q9-S12 PolarHBondContact O-N 3.2Å; Q9-S12 PolarHBondContact O-OG 3.12Å; Q9-R13 WeakPolarHBondContact O-CD 3.27Å; Q9-R13 PolarHBondContact O-NH1 2.9Å; Q9-R13 VanDerWaalsContact O-NH1 3.08Å; Q9-E358 PolarHBondContact NE2-OE1 3.2Å; Q9-E358 PolarHBondContact OE1-OE1 2.84Å; Q9-V360 HydrophobicContact CB-CG1 4.19Å; Q9-V360 HydrophobicContact CB-CG2 3.91Å
10V96.9Very high90.5Very high0 Ų048.8 Ų48.80%025%0.25CC..Hα-helixtrans-58.7-48177.31710000111.4L6 K7 S12 R13 P278 P291 Y292 V360 A361L6-V10 HydrophobicContact CD1-CG2 3.84Å; L6-V10 HydrophobicContact CG-CG2 4.31Å; L6-V10 WeakPolarHBondContact O-CB 3.34Å; L6-V10 VanDerWaalsContact O-CG2 3.25Å; L6-V10 WeakPolarHBondContact O-CG2 3.46Å; L6-V10 PolarHBondContact O-N 2.74Å; K7-V10 PolarHBondContact O-N 2.55Å; V10-S12 PolarHBondContact O-N 3.06Å; V10-S12 VanDerWaalsContact O-N 3.12Å; V10-R13 PolarHBondContact O-N 3.07Å; V10-P278 HydrophobicContact CG1-CB 4.12Å; V10-P278 HydrophobicContact CG1-CG 4.15Å; V10-P278 VanDerWaalsContact O-CD 3.27Å; V10-P278 WeakPolarHBondContact O-CD 3.25Å; V10-P291 HydrophobicContact CG1-CB 3.98Å; V10-P291 HydrophobicContact CG1-CG 4.39Å; V10-Y292 HydrophobicContact CB-CD1 4.29Å; V10-Y292 HydrophobicContact CB-CE1 3.94Å; V10-Y292 HydrophobicContact CG1-CD1 4.15Å; V10-Y292 HydrophobicContact CG1-CE1 3.63Å; V10-V360 HydrophobicContact CG2-CB 4.08Å; V10-V360 HydrophobicContact CG2-CG2 4.14Å; V10-A361 HydrophobicContact CG1-CB 4.38Å; V10-A361 HydrophobicContact CG2-CB 3.98Å
11D96.7Very high90.4Very high43 Ų4348.6 Ų48.623%0.2325%0.248CC..Hα-helixtrans-63-22.2-178.5-75.4-5.7000113.3K7 Q9 R14 K277 Y292K7-D11 VanDerWaalsContact O-CB 3.28Å; K7-D11 WeakPolarHBondContact O-CB 3.39Å; K7-D11 PolarHBondContact O-N 3.18Å; Q9-D11 PolarHBondContact O-N 3.08Å; D11-R14 PolarHBondContact O-NH1 3.5Å; D11-K277 HydrophobicContact CB-CD 4.37Å; D11-K277 WeakPolarHBondContact OD1-CD 3.42Å; D11-K277 IonicContact OD1-NZ 3.48Å; D11-K277 PolarHBondContact OD1-NZ 3.32Å; D11-K277 IonicContact OD2-NZ 3.32Å; D11-Y292 PolarHBondContact OD1-OH 3.12Å
12S96.5Very high91.9Very high20 Ų2041 Ų4114%0.1421%0.213CC..THydrogen-bonded Turntrans-81-13.5175.773.30000114.3Q8 Q9 V10 K82 R83Q8-S12 PolarHBondContact O-N 3.05Å; Q9-S12 PolarHBondContact O-N 3.2Å; Q9-S12 PolarHBondContact O-OG 3.12Å; V10-S12 PolarHBondContact O-N 3.06Å; V10-S12 VanDerWaalsContact O-N 3.12Å; S12-K82 CarbonylContact O-C 3.59Å; S12-K82 VanDerWaalsContact O-CA 3.23Å; S12-K82 WeakPolarHBondContact O-CA 3.27Å; S12-K82 WeakPolarHBondContact O-CB 3.46Å; S12-R83 PolarHBondContact O-N 3.37Å
13R97.3Very high92.5Very high17 Ų1741.7 Ų41.76%0.06422%0.217CC..EExtended strand (participates in β ladder)trans-78.8142.5-176.9-90.165.6-179.7160.9-10111.7Q9 V10 R83 P278 D363Q9-R13 WeakPolarHBondContact O-CD 3.27Å; Q9-R13 PolarHBondContact O-NH1 2.9Å; Q9-R13 VanDerWaalsContact O-NH1 3.08Å; V10-R13 PolarHBondContact O-N 3.07Å; R13-R83 CarbonylContact C-O 3.39Å; R13-R83 WeakPolarHBondContact CA-O 3.44Å; R13-R83 HydrophobicContact CG-CB 4.48Å; R13-P278 HydrophobicContact CB-CG 3.72Å; R13-D363 WeakPolarHBondContact CG-OD1 3.23Å; R13-D363 IonicContact CZ-OD2 3.81Å; R13-D363 IonicContact NE-OD1 3.79Å; R13-D363 PolarHBondContact NE-OD1 2.86Å; R13-D363 IonicContact NE-OD2 3.53Å; R13-D363 PolarHBondContact NE-OD2 3.34Å; R13-D363 IonicContact NH2-OD2 2.88Å; R13-D363 PolarHBondContact NH2-OD2 3.38Å
14R97.1Very high92.8Very high17 Ų1740.2 Ų40.26%0.06421%0.209CC..EExtended strand (participates in β ladder)trans-132.5115.6168.2-62.9-60.9-178.7-99.58.4108.1D11 K82 R83 V84 N85 V272 A275 P276D11-R14 PolarHBondContact O-NH1 3.5Å; R14-K82 HydrophobicContact CG-CB 4.49Å; R14-R83 PolarHBondContact N-O 3.25Å; R14-V84 HydrophobicContact CB-CG2 4.46Å; R14-V84 CarbonylContact O-C 3.52Å; R14-V84 WeakPolarHBondContact O-CA 3.38Å; R14-N85 PolarHBondContact O-N 3.4Å; R14-V272 PolarHBondContact NE-O 3.23Å; R14-V272 PolarHBondContact NH2-O 2.98Å; R14-A275 WeakPolarHBondContact CD-O 3.4Å; R14-A275 PolarHBondContact NE-O 3.38Å; R14-P276 WeakPolarHBondContact CD-O 3.24Å
15T96.6Very high92.9Very high0 Ų035 Ų350%018%0.177CC..EExtended strand (participates in β ladder)trans-121.6120.3-177.4-43.20000110N85 L87 V106 D107 S108 R319 G362 I364T15-N85 WeakPolarHBondContact CA-O 3.26Å; T15-N85 HydrophobicContact CG2-CB 3.63Å; T15-L87 HydrophobicContact CG2-CD1 3.53Å; T15-V106 HydrophobicContact CG2-CG1 4.28Å; T15-D107 VanDerWaalsContact CB-OD2 3.32Å; T15-D107 WeakPolarHBondContact CB-OD2 3.27Å; T15-D107 PolarHBondContact O-N 2.88Å; T15-D107 PolarHBondContact OG1-OD2 3.3Å; T15-S108 PolarHBondContact O-N 2.87Å; T15-R319 PolarHBondContact OG1-NH1 3.24Å; T15-G362 PolarHBondContact OG1-O 2.88Å; T15-I364 HydrophobicContact CG2-CD1 4.45Å; T15-I364 HydrophobicContact CG2-CG1 4.45Å
16F96.4Very high92.8Very high0 Ų031.6 Ų31.60%016%0.158CC..EExtended strand (participates in β ladder)trans-144.4157.9-174.575.3-85.6000112.9I18 L33 V84 N85 I86 L87 S108 V110 F271F16-I18 HydrophobicContact CD2-CG1 4.22Å; F16-I18 HydrophobicContact CE2-CD1 4.19Å; F16-I18 HydrophobicContact CE2-CG1 3.67Å; F16-L33 HydrophobicContact CZ-CD1 4Å; F16-V84 HydrophobicContact CD1-CG1 4.13Å; F16-V84 HydrophobicContact CE1-CG1 3.47Å; F16-V84 VanDerWaalsContact CE1-CG1 3.47Å; F16-N85 PolarHBondContact N-O 2.88Å; F16-I86 HydrophobicContact CD1-CG1 4.5Å; F16-I86 HydrophobicContact CE1-CD1 4.2Å; F16-I86 HydrophobicContact CE1-CG1 3.65Å; F16-I86 HydrophobicContact CE2-CD1 4.45Å; F16-I86 HydrophobicContact CE2-CG1 4.3Å; F16-I86 HydrophobicContact CE2-CG2 4.4Å; F16-I86 HydrophobicContact CZ-CB 4.46Å; F16-I86 HydrophobicContact CZ-CD1 3.67Å; F16-I86 HydrophobicContact CZ-CG1 3.53Å; F16-I86 HydrophobicContact CZ-CG2 4.43Å; F16-I86 WeakPolarHBondContact O-CA 3.23Å; F16-L87 PolarHBondContact O-N 2.99Å; F16-S108 WeakPolarHBondContact CA-O 3.24Å; F16-S108 VanDerWaalsContact CB-O 3.31Å; F16-S108 WeakPolarHBondContact CB-O 3.43Å; F16-S108 WeakPolarHBondContact CB-OG 3.31Å; F16-V110 HydrophobicContact CD2-CB 4.03Å; F16-V110 HydrophobicContact CD2-CG2 3.39Å; F16-V110 HydrophobicContact CE2-CB 4.06Å; F16-V110 HydrophobicContact CE2-CG2 3.5Å; F16-V110 HydrophobicContact CG-CG2 4.24Å; F16-V110 HydrophobicContact CZ-CG2 4.41Å; F16-F271 HydrophobicContact CB-CZ 3.88Å; F16-F271 AromaticContact CD1-CE1 3.53Å; F16-F271 HydrophobicContact CD1-CE1 3.53Å; F16-F271 AromaticContact CD1-CZ 3.43Å; F16-F271 HydrophobicContact CD1-CZ 3.43Å; F16-F271 VanDerWaalsContact CD1-CZ 3.43Å; F16-F271 HydrophobicContact CD2-CZ 4.17Å; F16-F271 AromaticContact CE1-CE1 3.58Å; F16-F271 HydrophobicContact CE1-CE1 3.58Å; F16-F271 AromaticContact CE1-CZ 3.86Å; F16-F271 HydrophobicContact CE1-CZ 3.86Å; F16-F271 HydrophobicContact CG-CE1 4.15Å; F16-F271 HydrophobicContact CG-CE2 4.47Å; F16-F271 AromaticContact CG-CZ 3.57Å; F16-F271 HydrophobicContact CG-CZ 3.57Å; F16-F271 HydrophobicContact CZ-CE1 4.27Å; F16-F271 HydrophobicContact CZ-CZ 4.41Å
17A94Very high92.2Very high0 Ų032 Ų320%016%0.162CC..EExtended strand (participates in β ladder)trans-107.8150.2170.700000110.3L87 T89 L103 V106 S108 A109 V110A17-L87 VanDerWaalsContact CA-O 3.27Å; A17-L87 WeakPolarHBondContact CA-O 3.39Å; A17-L87 HydrophobicContact CB-CB 4.49Å; A17-T89 HydrophobicContact CB-CG2 3.87Å; A17-L103 HydrophobicContact CB-CD2 3.81Å; A17-V106 HydrophobicContact CB-CG1 3.92Å; A17-V106 HydrophobicContact CB-CG2 4.1Å; A17-S108 PolarHBondContact N-O 3.14Å; A17-A109 CarbonylContact O-C 3.59Å; A17-A109 WeakPolarHBondContact O-CA 3.3Å; A17-V110 PolarHBondContact O-N 2.94Å
18I92.3Very high91.9Very high0 Ų026.7 Ų26.70%014%0.141CC..EExtended strand (participates in β ladder)trans-98126.5168-59.7164.2000108.3F16 K26 I29 T30 L33 I86 L87 T89 V110 V112F16-I18 HydrophobicContact CD2-CG1 4.22Å; F16-I18 HydrophobicContact CE2-CD1 4.19Å; F16-I18 HydrophobicContact CE2-CG1 3.67Å; I18-K26 HydrophobicContact CB-CD 4.26Å; I18-K26 HydrophobicContact CB-CG 4.02Å; I18-K26 HydrophobicContact CG2-CB 4.03Å; I18-K26 HydrophobicContact CG2-CD 4.02Å; I18-K26 HydrophobicContact CG2-CG 3.57Å; I18-I29 HydrophobicContact CD1-CG2 4.29Å; I18-T30 WeakPolarHBondContact CD1-OG1 3.41Å; I18-L33 HydrophobicContact CD1-CD1 4.46Å; I18-I86 HydrophobicContact CD1-CG2 3.95Å; I18-I86 HydrophobicContact CG1-CG2 4.37Å; I18-L87 PolarHBondContact N-O 3.43Å; I18-T89 PolarHBondContact O-OG1 3.02Å; I18-V110 CarbonylContact C-O 3.57Å; I18-V110 WeakPolarHBondContact CA-O 3.31Å; I18-V110 HydrophobicContact CG1-CB 4.3Å; I18-V112 HydrophobicContact CG2-CG2 3.54Å
19I91.5Very high91.7Very high0 Ų020 Ų200%011%0.109CC..EExtended strand (participates in β ladder)trans-115.5136.1176.464.4-178.6000109.5L103 A109 V110 M111 V112 L126 V130I19-L103 HydrophobicContact CG2-CD1 4.48Å; I19-L103 HydrophobicContact CG2-CD2 3.89Å; I19-A109 HydrophobicContact CD1-CB 4.25Å; I19-V110 PolarHBondContact N-O 2.94Å; I19-M111 HydrophobicContact CD1-CB 4.14Å; I19-M111 HydrophobicContact CD1-CG 4.43Å; I19-M111 HydrophobicContact CG1-CB 3.9Å; I19-M111 HydrophobicContact CG1-CG 4.2Å; I19-M111 WeakPolarHBondContact O-CA 3.37Å; I19-V112 PolarHBondContact O-N 2.9Å; I19-L126 HydrophobicContact CB-CB 4.11Å; I19-L126 HydrophobicContact CB-CD1 3.89Å; I19-L126 HydrophobicContact CD1-CB 4.39Å; I19-L126 HydrophobicContact CG2-CB 4.34Å; I19-L126 HydrophobicContact CG2-CD1 4.28Å; I19-V130 HydrophobicContact CD1-CG2 3.81Å
20S90.5Very high91.4Very high3 Ų318 Ų182%0.02110%0.1CC..EExtended strand (participates in β ladder)trans-164.5163.6178.480.10000111.3K26 V112S20-K26 WeakPolarHBondContact OG-CB 3.35Å; S20-V112 VanDerWaalsContact CB-O 3.3Å; S20-V112 WeakPolarHBondContact CB-O 3.46Å
21H88.2Confident90.8Very high45 Ų4518.3 Ų18.321%0.20810%0.101CC..  trans-66.3155.1159-163.272.1000110.9A24 E120 Q122 T123H21-A24 WeakPolarHBondContact O-CB 3.36Å; H21-A24 PolarHBondContact O-N 3.06Å; H21-E120 HydrophobicContact CB-CB 3.74Å; H21-E120 HydrophobicContact CB-CG 4.36Å; H21-E120 VanDerWaalsContact CB-OE2 3.29Å; H21-E120 WeakPolarHBondContact CB-OE2 3.5Å; H21-E120 IonicContact CD2-OE1 3.93Å; H21-E120 PolarHBondContact CD2-OE1 3.41Å; H21-E120 IonicContact CD2-OE2 3.51Å; H21-E120 PolarHBondContact CD2-OE2 3.03Å; H21-E120 VanDerWaalsContact CG-CB 3.45Å; H21-E120 VanDerWaalsContact CG-CD 3.5Å; H21-E120 IonicContact CG-OE1 3.53Å; H21-E120 IonicContact CG-OE2 3.88Å; H21-E120 IonicContact NE2-OE1 2.79Å; H21-E120 PolarHBondContact NE2-OE1 2.93Å; H21-Q122 HydrophobicContact CB-CB 4.47Å; H21-Q122 VanDerWaalsContact ND1-CB 3.31Å; H21-Q122 WeakPolarHBondContact ND1-CB 3.41Å; H21-T123 PolarHBondContact N-OG1 3.13Å; H21-T123 VanDerWaalsContact N-OG1 3.12Å
22P83.2Confident90.5Very high37 Ų3716.8 Ų16.824%0.249%0.093CC..THydrogen-bonded Turntrans-46.2142.2164.6-31.837.4000112.4A24 G91P22-A24 PolarHBondContact O-N 2.85Å; P22-G91 WeakPolarHBondContact CD-O 3.45Å; P22-G91 VanDerWaalsContact CG-O 3.3Å; P22-G91 WeakPolarHBondContact CG-O 3.12Å
23D85Confident90.2Very high123 Ų12315.9 Ų15.966%0.6589%0.086SC*.THydrogen-bonded Turntrans62.41.1179.4-55.5-40.5000117.7G25 K143D23-G25 PolarHBondContact O-N 3.49Å; D23-K143 WeakPolarHBondContact O-CE 3.38Å; D23-K143 PolarHBondContact O-NZ 2.94Å
24A90.8Very high89.7Confident0 Ų015 Ų150%08%0.083CC..SBendtrans-63-24.217400000112.9H21 P22 V112 N142 K143H21-A24 WeakPolarHBondContact O-CB 3.36Å; H21-A24 PolarHBondContact O-N 3.06Å; P22-A24 PolarHBondContact O-N 2.85Å; A24-V112 HydrophobicContact CB-CG1 4.38Å; A24-N142 PolarHBondContact O-ND2 2.92Å; A24-K143 WeakPolarHBondContact O-CE 3.1Å
25G88.5Confident89.1Confident11 Ų1116.7 Ų16.711%0.1139%0.093CC..SBendtrans117.713.1173.400000115.6D23 T27 T28 I29D23-G25 PolarHBondContact O-N 3.49Å; G25-T27 PolarHBondContact O-N 2.99Å; G25-T28 WeakPolarHBondContact O-CA 3.46Å; G25-T28 WeakPolarHBondContact O-CB 3.42Å; G25-T28 PolarHBondContact O-N 3.46Å; G25-I29 PolarHBondContact O-N 2.98Å
26K88.6Confident88.4Confident12 Ų1218.8 Ų18.85%0.05210%0.102CC..Hα-helixtrans-41.5-56.7175.4172.2171.973.679.10114I18 S20 T28 I29 T30 D88 T89I18-K26 HydrophobicContact CB-CD 4.26Å; I18-K26 HydrophobicContact CB-CG 4.02Å; I18-K26 HydrophobicContact CG2-CB 4.03Å; I18-K26 HydrophobicContact CG2-CD 4.02Å; I18-K26 HydrophobicContact CG2-CG 3.57Å; S20-K26 WeakPolarHBondContact OG-CB 3.35Å; K26-T28 VanDerWaalsContact C-N 3.29Å; K26-T28 PolarHBondContact O-N 2.88Å; K26-I29 WeakPolarHBondContact O-CG2 3.37Å; K26-I29 PolarHBondContact O-N 2.84Å; K26-T30 PolarHBondContact O-N 2.89Å; K26-T30 PolarHBondContact O-OG1 3.45Å; K26-D88 VanDerWaalsContact CD-OD1 3.31Å; K26-D88 WeakPolarHBondContact CD-OD1 3.03Å; K26-D88 WeakPolarHBondContact CG-OD1 3.45Å; K26-D88 VanDerWaalsContact NZ-CG 3.33Å; K26-D88 IonicContact NZ-OD1 3.66Å; K26-D88 PolarHBondContact NZ-OD1 2.82Å; K26-D88 IonicContact NZ-OD2 2.77Å; K26-D88 PolarHBondContact NZ-OD2 3.35Å; K26-T89 WeakPolarHBondContact CE-O 3.35Å; K26-T89 PolarHBondContact NZ-O 3.33Å
27T82.1Confident87.4Confident27 Ų2719.6 Ų19.617%0.16611%0.11CC..Hα-helixtrans-62.5-36.4-179.7-60.30000112.4G25 E31 K47 K50G25-T27 PolarHBondContact O-N 2.99Å; T27-E31 WeakPolarHBondContact O-CG 3.25Å; T27-E31 PolarHBondContact O-N 2.97Å; T27-E31 VanDerWaalsContact O-N 3.12Å; T27-K47 HydrophobicContact CG2-CG 4.33Å; T27-K50 PolarHBondContact OG1-NZ 2.8Å
28T87.8Confident86.4Confident22 Ų2222.5 Ų22.514%0.13514%0.141CC..Hα-helixtrans-68.2-45.8179.1-51.80000111G25 K26 T30 E31 Q32 K47 A258G25-T28 WeakPolarHBondContact O-CA 3.46Å; G25-T28 WeakPolarHBondContact O-CB 3.42Å; G25-T28 PolarHBondContact O-N 3.46Å; K26-T28 VanDerWaalsContact C-N 3.29Å; K26-T28 PolarHBondContact O-N 2.88Å; T28-T30 VanDerWaalsContact C-N 3.34Å; T28-T30 PolarHBondContact O-N 3.16Å; T28-E31 WeakPolarHBondContact O-CB 3.4Å; T28-E31 PolarHBondContact O-N 3.03Å; T28-Q32 WeakPolarHBondContact O-CG 3.48Å; T28-Q32 PolarHBondContact O-N 3.19Å; T28-Q32 VanDerWaalsContact O-N 3.17Å; T28-K47 PolarHBondContact OG1-NZ 3.43Å; T28-A258 HydrophobicContact CG2-CB 3.95Å; T28-A258 WeakPolarHBondContact CG2-O 3.46Å
29I90.9Very high84.8Confident0 Ų023.3 Ų23.30%015%0.147CC..Hα-helixtrans-66.2-38.6178.3-168.8170.6000111.3I18 G25 K26 E31 Q32 L33 V112 F140 A258I18-I29 HydrophobicContact CD1-CG2 4.29Å; G25-I29 PolarHBondContact O-N 2.98Å; K26-I29 WeakPolarHBondContact O-CG2 3.37Å; K26-I29 PolarHBondContact O-N 2.84Å; I29-E31 VanDerWaalsContact C-N 3.29Å; I29-E31 PolarHBondContact O-N 2.93Å; I29-Q32 PolarHBondContact O-N 3.4Å; I29-Q32 VanDerWaalsContact O-N 3.11Å; I29-L33 HydrophobicContact CG1-CD1 4.33Å; I29-L33 HydrophobicContact CG1-CG 4.32Å; I29-L33 WeakPolarHBondContact O-CG 3.48Å; I29-L33 PolarHBondContact O-N 2.79Å; I29-V112 HydrophobicContact CD1-CG2 4.49Å; I29-V112 HydrophobicContact CG2-CG2 3.86Å; I29-F140 HydrophobicContact CD1-CB 4.22Å; I29-F140 HydrophobicContact CD1-CD1 3.58Å; I29-F140 HydrophobicContact CD1-CD2 3.99Å; I29-F140 HydrophobicContact CD1-CE1 3.85Å; I29-F140 HydrophobicContact CD1-CE2 4.23Å; I29-F140 HydrophobicContact CD1-CG 3.65Å; I29-F140 HydrophobicContact CD1-CZ 4.16Å; I29-A258 HydrophobicContact CB-CB 3.76Å; I29-A258 HydrophobicContact CG1-CB 4.31Å
30T88.7Confident83.3Confident2 Ų223.7 Ų23.71%0.01215%0.149CC..Hα-helixtrans-55.4-45.3172.7-55.50000111.7I18 K26 T28 Q32 L33 L34 M75 I86I18-T30 WeakPolarHBondContact CD1-OG1 3.41Å; K26-T30 PolarHBondContact O-N 2.89Å; K26-T30 PolarHBondContact O-OG1 3.45Å; T28-T30 VanDerWaalsContact C-N 3.34Å; T28-T30 PolarHBondContact O-N 3.16Å; T30-Q32 VanDerWaalsContact C-N 3.33Å; T30-Q32 PolarHBondContact O-N 2.87Å; T30-L33 PolarHBondContact O-N 3.1Å; T30-L34 HydrophobicContact CG2-CD1 4.08Å; T30-L34 WeakPolarHBondContact O-CD1 3.45Å; T30-L34 VanDerWaalsContact O-CG 3.23Å; T30-L34 WeakPolarHBondContact O-CG 3.45Å; T30-L34 PolarHBondContact O-N 3.27Å; T30-L34 VanDerWaalsContact O-N 3.13Å; T30-M75 HydrophobicContact CG2-CE 3.36Å; T30-M75 HydrophobicContact CG2-SD 3.94Å; T30-I86 HydrophobicContact CG2-CG2 4.4Å
31E84.5Confident81.7Confident5 Ų535.1 Ų35.12%0.02319%0.192CC..Hα-helixtrans-58.8-44.1176.1-75.1-175.8135.200112.6T27 T28 I29 L34 L35 I40 G44 V46 K47T27-E31 WeakPolarHBondContact O-CG 3.25Å; T27-E31 PolarHBondContact O-N 2.97Å; T27-E31 VanDerWaalsContact O-N 3.12Å; T28-E31 WeakPolarHBondContact O-CB 3.4Å; T28-E31 PolarHBondContact O-N 3.03Å; I29-E31 VanDerWaalsContact C-N 3.29Å; I29-E31 PolarHBondContact O-N 2.93Å; E31-L34 PolarHBondContact O-N 3.15Å; E31-L35 PolarHBondContact O-N 3.09Å; E31-I40 VanDerWaalsContact O-CD1 3.31Å; E31-I40 WeakPolarHBondContact O-CD1 3.19Å; E31-G44 WeakPolarHBondContact OE1-CA 3.36Å; E31-G44 PolarHBondContact OE1-N 3.46Å; E31-V46 HydrophobicContact CG-CB 3.5Å; E31-V46 VanDerWaalsContact CG-CB 3.5Å; E31-V46 HydrophobicContact CG-CG2 3.66Å; E31-V46 WeakPolarHBondContact OE1-CA 3.39Å; E31-V46 WeakPolarHBondContact OE1-CB 3.18Å; E31-V46 PolarHBondContact OE1-N 2.77Å; E31-K47 PolarHBondContact OE1-N 3.06Å
32Q89.6Confident80.1Confident12 Ų1239.9 Ų39.96%0.05621%0.214CC..Hα-helixtrans-66.2-41.6-180-61.5-51-6.800112.2T28 I29 T30 L34 L35 F36 A258 N261 V264T28-Q32 WeakPolarHBondContact O-CG 3.48Å; T28-Q32 PolarHBondContact O-N 3.19Å; T28-Q32 VanDerWaalsContact O-N 3.17Å; I29-Q32 PolarHBondContact O-N 3.4Å; I29-Q32 VanDerWaalsContact O-N 3.11Å; T30-Q32 VanDerWaalsContact C-N 3.33Å; T30-Q32 PolarHBondContact O-N 2.87Å; Q32-L34 VanDerWaalsContact C-N 3.28Å; Q32-L34 PolarHBondContact O-N 2.89Å; Q32-L35 VanDerWaalsContact O-CB 3.32Å; Q32-L35 WeakPolarHBondContact O-CB 3.27Å; Q32-L35 PolarHBondContact O-N 3.46Å; Q32-F36 WeakPolarHBondContact O-CD2 3.42Å; Q32-F36 PolarHBondContact O-N 3.43Å; Q32-A258 WeakPolarHBondContact CG-O 3.44Å; Q32-A258 PolarHBondContact NE2-O 2.9Å; Q32-N261 WeakPolarHBondContact CB-OD1 3.48Å; Q32-N261 HydrophobicContact CG-CB 4.41Å; Q32-N261 WeakPolarHBondContact CG-OD1 3.39Å; Q32-N261 PolarHBondContact OE1-OD1 3.06Å; Q32-V264 HydrophobicContact CB-CB 4.45Å; Q32-V264 HydrophobicContact CB-CG1 3.82Å; Q32-V264 HydrophobicContact CB-CG2 4.32Å
33L90.9Very high78.8Confident0 Ų040.3 Ų40.30%022%0.221CC..Hα-helixtrans-60.2-40.2176.3-64.8174.6000111.8F16 I18 I29 T30 L35 F36 G37 F77 I86 V264 F267 L268F16-L33 HydrophobicContact CZ-CD1 4Å; I18-L33 HydrophobicContact CD1-CD1 4.46Å; I29-L33 HydrophobicContact CG1-CD1 4.33Å; I29-L33 HydrophobicContact CG1-CG 4.32Å; I29-L33 WeakPolarHBondContact O-CG 3.48Å; I29-L33 PolarHBondContact O-N 2.79Å; T30-L33 PolarHBondContact O-N 3.1Å; L33-L35 VanDerWaalsContact C-N 3.3Å; L33-L35 PolarHBondContact O-N 3.34Å; L33-F36 PolarHBondContact O-N 2.92Å; L33-G37 PolarHBondContact O-N 3.46Å; L33-F77 HydrophobicContact CB-CE1 4.4Å; L33-F77 HydrophobicContact CB-CZ 4.22Å; L33-I86 HydrophobicContact CB-CD1 3.97Å; L33-I86 HydrophobicContact CD1-CD1 3.87Å; L33-V264 HydrophobicContact CD2-CG1 3.76Å; L33-V264 HydrophobicContact CG-CG1 4.36Å; L33-F267 HydrophobicContact CD1-CE1 4.49Å; L33-F267 HydrophobicContact CD2-CD1 4.13Å; L33-F267 HydrophobicContact CD2-CE1 4.16Å; L33-L268 HydrophobicContact CD2-CB 4.04Å; L33-L268 HydrophobicContact CD2-CD1 4.13Å; L33-L268 HydrophobicContact CD2-CD2 4.14Å; L33-L268 HydrophobicContact CD2-CG 4.32Å
34L86.1Confident77.1Confident0 Ų036 Ų360%021%0.205CC..Hα-helixtrans-68.4-30.5176.1-61.9165.6000112.7T30 E31 Q32 G38 A39 I40 V46 M75 F77 A350T30-L34 HydrophobicContact CG2-CD1 4.08Å; T30-L34 WeakPolarHBondContact O-CD1 3.45Å; T30-L34 VanDerWaalsContact O-CG 3.23Å; T30-L34 WeakPolarHBondContact O-CG 3.45Å; T30-L34 PolarHBondContact O-N 3.27Å; T30-L34 VanDerWaalsContact O-N 3.13Å; E31-L34 PolarHBondContact O-N 3.15Å; Q32-L34 VanDerWaalsContact C-N 3.28Å; Q32-L34 PolarHBondContact O-N 2.89Å; L34-G38 PolarHBondContact O-N 3.27Å; L34-A39 PolarHBondContact O-N 3.03Å; L34-I40 HydrophobicContact CB-CD1 4.06Å; L34-I40 HydrophobicContact CB-CG1 4.04Å; L34-I40 HydrophobicContact CB-CG2 4.35Å; L34-I40 PolarHBondContact O-N 3.05Å; L34-V46 HydrophobicContact CD1-CG2 3.79Å; L34-M75 HydrophobicContact CD1-CG 4.39Å; L34-M75 HydrophobicContact CD1-SD 3.55Å; L34-M75 VanDerWaalsContact CD1-SD 3.55Å; L34-M75 HydrophobicContact CD2-CB 3.76Å; L34-M75 HydrophobicContact CD2-CG 4.46Å; L34-F77 HydrophobicContact CD2-CD1 3.76Å; L34-F77 HydrophobicContact CD2-CE1 4.32Å; L34-A350 HydrophobicContact CB-CB 4.42Å; L34-A350 HydrophobicContact CD1-CB 4.21Å; L34-A350 HydrophobicContact CD2-CB 3.76Å; L34-A350 HydrophobicContact CG-CB 4.33Å
35L84.6Confident75.1Confident51 Ų5138.2 Ų38.227%0.26722%0.219SC..Hα-helixtrans-66-45.4174.4-176.868.7000110.5E31 Q32 L33 G37 G38 I40 A43E31-L35 PolarHBondContact O-N 3.09Å; Q32-L35 VanDerWaalsContact O-CB 3.32Å; Q32-L35 WeakPolarHBondContact O-CB 3.27Å; Q32-L35 PolarHBondContact O-N 3.46Å; L33-L35 VanDerWaalsContact C-N 3.3Å; L33-L35 PolarHBondContact O-N 3.34Å; L35-G37 VanDerWaalsContact C-N 3.33Å; L35-G37 PolarHBondContact O-N 3.06Å; L35-G38 PolarHBondContact O-N 3.34Å; L35-I40 HydrophobicContact CB-CD1 4.39Å; L35-I40 HydrophobicContact CB-CG1 4.12Å; L35-I40 HydrophobicContact CD1-CG1 4.32Å; L35-I40 WeakPolarHBondContact CD1-O 3.1Å; L35-A43 HydrophobicContact CD2-CB 4.26Å
36F81.6Confident73.4Confident45 Ų4538.9 Ų38.920%0.19722%0.221CC..Hα-helixtrans-64.1-36.5176.1-75.4-66.6000113Q32 L33 G38 F79 N261 V264 E265 L268Q32-F36 WeakPolarHBondContact O-CD2 3.42Å; Q32-F36 PolarHBondContact O-N 3.43Å; L33-F36 PolarHBondContact O-N 2.92Å; F36-G38 PolarHBondContact O-N 3.08Å; F36-G38 VanDerWaalsContact O-N 3.13Å; F36-F79 HydrophobicContact CB-CD2 4.42Å; F36-F79 HydrophobicContact CB-CE2 4.27Å; F36-N261 WeakPolarHBondContact CE2-OD1 2.95Å; F36-N261 WeakPolarHBondContact CZ-ND2 3.28Å; F36-V264 HydrophobicContact CD2-CG1 3.94Å; F36-V264 HydrophobicContact CE2-CB 3.8Å; F36-V264 HydrophobicContact CE2-CG1 3.67Å; F36-E265 HydrophobicContact CD1-CB 4.19Å; F36-E265 HydrophobicContact CD1-CG 4.06Å; F36-E265 HydrophobicContact CE1-CB 3.58Å; F36-E265 HydrophobicContact CE1-CG 3.78Å; F36-E265 VanDerWaalsContact CE1-OE2 3.29Å; F36-E265 WeakPolarHBondContact CE1-OE2 3.15Å; F36-E265 HydrophobicContact CE2-CB 4.2Å; F36-E265 HydrophobicContact CZ-CB 3.59Å; F36-E265 HydrophobicContact CZ-CG 4.31Å; F36-L268 HydrophobicContact CB-CD2 3.77Å; F36-L268 HydrophobicContact CG-CD2 4.48Å
37G75.5Confident71.6Confident16 Ų1642.7 Ų42.717%0.16524%0.237CC..THydrogen-bonded Turntrans-68.9-0.7172.200000115.3L33 L35 A39L33-G37 PolarHBondContact O-N 3.46Å; L35-G37 VanDerWaalsContact C-N 3.33Å; L35-G37 PolarHBondContact O-N 3.06Å; G37-A39 PolarHBondContact O-N 3.29Å
38G73.1Confident69.7Low62 Ų6242.7 Ų42.764%0.63924%0.243SC*.THydrogen-bonded Turntrans65.27-174.100000114.4L34 L35 F36 I40L34-G38 PolarHBondContact O-N 3.27Å; L35-G38 PolarHBondContact O-N 3.34Å; F36-G38 PolarHBondContact O-N 3.08Å; F36-G38 VanDerWaalsContact O-N 3.13Å; G38-I40 VanDerWaalsContact C-N 3.32Å; G38-I40 PolarHBondContact O-N 3.36Å
39A60.1Low67.7Low17 Ų1744.6 Ų44.614%0.1425%0.249CC..SBendtrans-78.9-17.6-174.100000112.6L34 G37 F77 A350L34-A39 PolarHBondContact O-N 3.03Å; G37-A39 PolarHBondContact O-N 3.29Å; A39-F77 HydrophobicContact CB-CB 3.77Å; A39-A350 HydrophobicContact CB-CB 3.47Å; A39-A350 VanDerWaalsContact CB-CB 3.47Å
40I58.9Low65.4Low7 Ų747.1 Ų47.14%0.03626%0.26CS..  trans-128.5144.4165.763.7177.5000109.8E31 L34 L35 G38 Q42 T45 A350E31-I40 VanDerWaalsContact O-CD1 3.31Å; E31-I40 WeakPolarHBondContact O-CD1 3.19Å; L34-I40 HydrophobicContact CB-CD1 4.06Å; L34-I40 HydrophobicContact CB-CG1 4.04Å; L34-I40 HydrophobicContact CB-CG2 4.35Å; L34-I40 PolarHBondContact O-N 3.05Å; L35-I40 HydrophobicContact CB-CD1 4.39Å; L35-I40 HydrophobicContact CB-CG1 4.12Å; L35-I40 HydrophobicContact CD1-CG1 4.32Å; L35-I40 WeakPolarHBondContact CD1-O 3.1Å; G38-I40 VanDerWaalsContact C-N 3.32Å; G38-I40 PolarHBondContact O-N 3.36Å; I40-Q42 WeakPolarHBondContact CD1-O 3.31Å; I40-T45 HydrophobicContact CG2-CG2 4.32Å; I40-A350 HydrophobicContact CG2-CB 3.96Å
41R57.4Low63Low243 Ų24351.4 Ų51.492%0.91729%0.287SS*.SBendtrans-77.9-24178.6-65.8-176.1-179-179.5-0.1113.4
42Q53.4Low60.4Low145 Ų14552.8 Ų52.868%0.67830%0.303SS*.SBendtrans-147133.5-175.1-67.7-176.6-21.800110.3I40 T45I40-Q42 WeakPolarHBondContact CD1-O 3.31Å; Q42-T45 WeakPolarHBondContact O-CB 3.44Å; Q42-T45 PolarHBondContact O-N 2.94Å; Q42-T45 PolarHBondContact O-OG1 3.45Å
43A56.2Low57.6Low46 Ų4660 Ų6038%0.3834%0.341SS..THydrogen-bonded Turntrans-57.8149.816800000110.7L35 T45L35-A43 HydrophobicContact CD2-CB 4.26Å; A43-T45 VanDerWaalsContact C-N 3.34Å
44G49.6Very low54.8Low32 Ų3267 Ų6733%0.3337%0.372SS..THydrogen-bonded Turntrans87-2.7-171.700000114.3E31 V46 G48E31-G44 WeakPolarHBondContact OE1-CA 3.36Å; E31-G44 PolarHBondContact OE1-N 3.46Å; G44-V46 VanDerWaalsContact C-N 3.3Å; G44-V46 PolarHBondContact O-N 3.48Å; G44-G48 WeakPolarHBondContact O-CA 3.13Å; G44-G48 PolarHBondContact O-N 2.86Å
45T50Low52.1Low48 Ų4870 Ų7029%0.29440%0.397SS..Hα-helixtrans-66.3-30174.8-59.70000112.1I40 Q42 A43 G48 K49I40-T45 HydrophobicContact CG2-CG2 4.32Å; Q42-T45 WeakPolarHBondContact O-CB 3.44Å; Q42-T45 PolarHBondContact O-N 2.94Å; Q42-T45 PolarHBondContact O-OG1 3.45Å; A43-T45 VanDerWaalsContact C-N 3.34Å; T45-G48 CarbonylContact O-C 3.55Å; T45-G48 PolarHBondContact O-N 3.45Å; T45-K49 WeakPolarHBondContact O-CB 3.46Å; T45-K49 WeakPolarHBondContact O-CG 3.39Å; T45-K49 PolarHBondContact O-N 2.97Å
46V52.7Low49.5Very low24 Ų2475.1 Ų75.115%0.14542%0.417CS..Hα-helixtrans-79.1-41.1178.6-176.60000110.7E31 L34 G44 G48 K49 K50E31-V46 HydrophobicContact CG-CB 3.5Å; E31-V46 VanDerWaalsContact CG-CB 3.5Å; E31-V46 HydrophobicContact CG-CG2 3.66Å; E31-V46 WeakPolarHBondContact OE1-CA 3.39Å; E31-V46 WeakPolarHBondContact OE1-CB 3.18Å; E31-V46 PolarHBondContact OE1-N 2.77Å; L34-V46 HydrophobicContact CD1-CG2 3.79Å; G44-V46 VanDerWaalsContact C-N 3.3Å; G44-V46 PolarHBondContact O-N 3.48Å; V46-G48 VanDerWaalsContact C-N 3.26Å; V46-G48 PolarHBondContact O-N 2.96Å; V46-K49 PolarHBondContact O-N 2.82Å; V46-K50 PolarHBondContact O-N 2.8Å
47K49.1Very low47.5Very low92 Ų9273.6 Ų73.640%0.441%0.412SS..Hα-helixtrans-60.1-40.1167.4-78.3-179.9-177.2169.90110.6T27 T28 E31 K50 T51T27-K47 HydrophobicContact CG2-CG 4.33Å; T28-K47 PolarHBondContact OG1-NZ 3.43Å; E31-K47 PolarHBondContact OE1-N 3.06Å; K47-K50 CarbonylContact O-C 3.55Å; K47-K50 WeakPolarHBondContact O-CB 3.13Å; K47-K50 PolarHBondContact O-N 3.43Å; K47-T51 PolarHBondContact O-N 3.09Å; K47-T51 PolarHBondContact O-OG1 3.49Å
48G42.3Very low46Very low28 Ų2876.9 Ų76.929%0.28943%0.426SS..Hα-helixtrans-63-40.5172.800000112.3G44 T45 V46 T51 G52G44-G48 WeakPolarHBondContact O-CA 3.13Å; G44-G48 PolarHBondContact O-N 2.86Å; T45-G48 CarbonylContact O-C 3.55Å; T45-G48 PolarHBondContact O-N 3.45Å; V46-G48 VanDerWaalsContact C-N 3.26Å; V46-G48 PolarHBondContact O-N 2.96Å; G48-T51 WeakPolarHBondContact CA-OG1 3.38Å; G48-T51 CarbonylContact O-C 3.51Å; G48-T51 PolarHBondContact O-N 3.19Å; G48-T51 VanDerWaalsContact O-N 3.09Å; G48-G52 WeakPolarHBondContact O-CA 3.44Å; G48-G52 PolarHBondContact O-N 2.84Å
49K47.4Very low45.1Very low62 Ų6276.8 Ų76.827%0.2741%0.406SS..Hα-helixtrans-68.5-35.7172.1-80.4-178.4174.9-170.50112.2T45 V46 T51 F54 A350 D351T45-K49 WeakPolarHBondContact O-CB 3.46Å; T45-K49 WeakPolarHBondContact O-CG 3.39Å; T45-K49 PolarHBondContact O-N 2.97Å; V46-K49 PolarHBondContact O-N 2.82Å; K49-T51 PolarHBondContact O-N 2.85Å; K49-F54 HydrophobicContact CG-CD2 4.49Å; K49-A350 PolarHBondContact NZ-O 2.77Å; K49-D351 VanDerWaalsContact NZ-C 3.31Å; K49-D351 VanDerWaalsContact NZ-CA 3.25Å; K49-D351 PolarHBondContact NZ-O 2.88Å
50K42Very low44.7Very low52 Ų5277.1 Ų77.123%0.22641%0.405CS..Hα-helixtrans-65.2-20.7169.1-73.3-173.4175.9-174.60112.7T27 V46 K47 K64 S69T27-K50 PolarHBondContact OG1-NZ 2.8Å; V46-K50 PolarHBondContact O-N 2.8Å; K47-K50 CarbonylContact O-C 3.55Å; K47-K50 WeakPolarHBondContact O-CB 3.13Å; K47-K50 PolarHBondContact O-N 3.43Å; K50-K64 WeakPolarHBondContact O-CE 3.26Å; K50-S69 PolarHBondContact NZ-OG 2.93Å
51T37.4Very low44.4Very low92 Ų9279.3 Ų79.356%0.56442%0.417SS*.Hα-helixtrans-118.8-7.8-176.446.10000116.1K47 G48 K49 K64K47-T51 PolarHBondContact O-N 3.09Å; K47-T51 PolarHBondContact O-OG1 3.49Å; G48-T51 WeakPolarHBondContact CA-OG1 3.38Å; G48-T51 CarbonylContact O-C 3.51Å; G48-T51 PolarHBondContact O-N 3.19Å; G48-T51 VanDerWaalsContact O-N 3.09Å; K49-T51 PolarHBondContact O-N 2.85Å; T51-K64 HydrophobicContact CG2-CD 4.22Å
52G30.9Very low44.5Very low35 Ų3568.8 Ų68.836%0.36138%0.379SS..SBendtrans-147.4126.2-159.600000116.3G48 F54G48-G52 WeakPolarHBondContact O-CA 3.44Å; G48-G52 PolarHBondContact O-N 2.84Å; G52-F54 VanDerWaalsContact C-N 3.33Å; G52-F54 PolarHBondContact O-N 2.98Å
53N31.4Very low44.9Very low163 Ų16362.7 Ų62.787%0.87235%0.35SS*.SBendtrans49.2-6.1159.5-80.64.1000123.5A55N53-A55 PolarHBondContact O-N 2.95Å
54F32.1Very low45Very low147 Ų14764.5 Ų64.565%0.64535%0.35SS*.SBendtrans-84102.2159.4-80.3-86.5000107.9K49 G52 K56K49-F54 HydrophobicContact CG-CD2 4.49Å; G52-F54 VanDerWaalsContact C-N 3.33Å; G52-F54 PolarHBondContact O-N 2.98Å; F54-K56 PolarHBondContact O-N 2.82Å
55A29Very low45.4Very low64 Ų6470.7 Ų70.753%0.52937%0.37SS..  trans17.189.2178.600000112.8N53 S57 P309N53-A55 PolarHBondContact O-N 2.95Å; A55-S57 VanDerWaalsContact C-N 3.3Å; A55-S57 PolarHBondContact O-N 3.48Å; A55-P309 HydrophobicContact CB-CG 4.49Å
56K30.4Very low45.8Very low157 Ų15775.1 Ų75.168%0.68338%0.381SS*.  trans-40.3100.3175.2-79-173.5177.9-175.70108.5F54F54-K56 PolarHBondContact O-N 2.82Å
57S38.1Very low45.7Very low13 Ų1376.5 Ų76.59%0.09140%0.401CS..  trans-95122169.566.40000105.1A55 W59 M60A55-S57 VanDerWaalsContact C-N 3.3Å; A55-S57 PolarHBondContact O-N 3.48Å; S57-W59 PolarHBondContact O-N 3.46Å; S57-W59 VanDerWaalsContact OG-CD2 3.25Å; S57-W59 WeakPolarHBondContact OG-CH2 3.19Å; S57-W59 VanDerWaalsContact OG-CZ2 3.27Å; S57-W59 WeakPolarHBondContact OG-CZ2 3.47Å; S57-W59 WeakPolarHBondContact OG-CZ3 3.38Å; S57-M60 WeakPolarHBondContact O-CB 3.45Å; S57-M60 PolarHBondContact O-N 3.36Å; S57-M60 WeakPolarHBondContact OG-CE 3.47Å
58D44.2Very low46Very low86 Ų8673.1 Ų73.146%0.4639%0.386SS..THydrogen-bonded Turntrans-65.9-4.4-171.8-60.6-29.4000112.3D61D58-D61 VanDerWaalsContact O-CB 3.31Å; D58-D61 WeakPolarHBondContact O-CB 3.43Å; D58-D61 PolarHBondContact O-N 2.9Å; D58-D61 VanDerWaalsContact O-N 3.14Å
59W54.3Low46.7Very low59 Ų5972.2 Ų72.222%0.22338%0.376CS..Hα-helixtrans-73.4-3016992.477.2000112.2S57 D61 I62 E63S57-W59 PolarHBondContact O-N 3.46Å; S57-W59 VanDerWaalsContact OG-CD2 3.25Å; S57-W59 WeakPolarHBondContact OG-CH2 3.19Å; S57-W59 VanDerWaalsContact OG-CZ2 3.27Å; S57-W59 WeakPolarHBondContact OG-CZ2 3.47Å; S57-W59 WeakPolarHBondContact OG-CZ3 3.38Å; W59-D61 PolarHBondContact O-N 3.41Å; W59-D61 VanDerWaalsContact O-N 3.17Å; W59-I62 PolarHBondContact O-N 3Å; W59-E63 PolarHBondContact O-N 3.32Å
60M51.8Low46.9Very low25 Ų2569.8 Ų69.812%0.12337%0.366CS..Hα-helixtrans-60.7-21.3168-74.5-169.4-8900110.3S57 K64S57-M60 WeakPolarHBondContact O-CB 3.45Å; S57-M60 PolarHBondContact O-N 3.36Å; S57-M60 WeakPolarHBondContact OG-CE 3.47Å; M60-K64 VanDerWaalsContact O-CB 3.28Å; M60-K64 WeakPolarHBondContact O-CB 3.33Å; M60-K64 WeakPolarHBondContact O-CD 3.29Å; M60-K64 WeakPolarHBondContact O-CG 3.17Å; M60-K64 PolarHBondContact O-N 2.91Å
61D54Low47.8Very low52 Ų5269.1 Ų69.128%0.27837%0.367SS..Hα-helixtrans-78.2-31.3173.8-62.3-22.3000112.5D58 W59 K64 Q65D58-D61 VanDerWaalsContact O-CB 3.31Å; D58-D61 WeakPolarHBondContact O-CB 3.43Å; D58-D61 PolarHBondContact O-N 2.9Å; D58-D61 VanDerWaalsContact O-N 3.14Å; W59-D61 PolarHBondContact O-N 3.41Å; W59-D61 VanDerWaalsContact O-N 3.17Å; D61-K64 PolarHBondContact O-N 2.94Å; D61-K64 IonicContact OD1-NZ 2.97Å; D61-K64 PolarHBondContact OD1-NZ 3.29Å; D61-Q65 WeakPolarHBondContact O-CB 3.14Å; D61-Q65 WeakPolarHBondContact O-CG 3.4Å; D61-Q65 PolarHBondContact O-N 3.17Å
62I58.3Low49Very low22 Ų2264.9 Ų64.911%0.11334%0.34CS..Hα-helixtrans-64.6-46.7166.9-64.8178000109.8W59 K64 Q65 R66 H452W59-I62 PolarHBondContact O-N 3Å; I62-K64 VanDerWaalsContact C-N 3.32Å; I62-K64 PolarHBondContact O-N 3.43Å; I62-Q65 PolarHBondContact O-N 2.9Å; I62-R66 HydrophobicContact CG2-CG 4.28Å; I62-R66 WeakPolarHBondContact O-CB 3.41Å; I62-R66 WeakPolarHBondContact O-CG 3.37Å; I62-R66 PolarHBondContact O-N 3.23Å; I62-H452 HydrophobicContact CD1-CB 3.77Å
63E61.5Low50.8Low17 Ų1765.6 Ų65.68%0.07934%0.34CS..Hα-helixtrans-56.5-45.5175.1-73.6-16815300111.5W59 G67 I68 V70 T71W59-E63 PolarHBondContact O-N 3.32Å; E63-G67 CarbonylContact O-C 3.57Å; E63-G67 VanDerWaalsContact O-CA 3.28Å; E63-G67 WeakPolarHBondContact O-CA 3.45Å; E63-G67 PolarHBondContact O-N 3.05Å; E63-I68 WeakPolarHBondContact CA-O 3.26Å; E63-I68 WeakPolarHBondContact CB-O 3.4Å; E63-I68 WeakPolarHBondContact CG-O 3.16Å; E63-I68 PolarHBondContact O-N 3.29Å; E63-V70 HydrophobicContact CG-CB 3.98Å; E63-V70 HydrophobicContact CG-CG2 3.76Å; E63-V70 WeakPolarHBondContact OE1-CB 3.3Å; E63-V70 PolarHBondContact OE1-N 3.4Å; E63-T71 PolarHBondContact OE1-N 3.03Å
64K59.5Low53Low84 Ų8458.3 Ų58.337%0.36530%0.301SS..Hα-helixtrans-67.3-44.5176.1-75.9169.7-151.6158.50113.1K50 T51 M60 D61 I62 R66 G67K50-K64 WeakPolarHBondContact O-CE 3.26Å; T51-K64 HydrophobicContact CG2-CD 4.22Å; M60-K64 VanDerWaalsContact O-CB 3.28Å; M60-K64 WeakPolarHBondContact O-CB 3.33Å; M60-K64 WeakPolarHBondContact O-CD 3.29Å; M60-K64 WeakPolarHBondContact O-CG 3.17Å; M60-K64 PolarHBondContact O-N 2.91Å; D61-K64 PolarHBondContact O-N 2.94Å; D61-K64 IonicContact OD1-NZ 2.97Å; D61-K64 PolarHBondContact OD1-NZ 3.29Å; I62-K64 VanDerWaalsContact C-N 3.32Å; I62-K64 PolarHBondContact O-N 3.43Å; K64-R66 VanDerWaalsContact C-N 3.29Å; K64-R66 PolarHBondContact O-N 3.13Å; K64-G67 PolarHBondContact O-N 3.44Å
65Q57.9Low55.5Low163 Ų16352 Ų5276%0.76227%0.274SS*.Hα-helixtrans-63.8-38.2-178.3-80.1173.413.800111.2D61 I62D61-Q65 WeakPolarHBondContact O-CB 3.14Å; D61-Q65 WeakPolarHBondContact O-CG 3.4Å; D61-Q65 PolarHBondContact O-N 3.17Å; I62-Q65 PolarHBondContact O-N 2.9Å
66R58.4Low58.2Low141 Ų14149.2 Ų49.253%0.53225%0.25SC..Hα-helixtrans-91.3-15.6179.9-63.3-70.6-165.6165.36.1113I62 K64 I68 E448I62-R66 HydrophobicContact CG2-CG 4.28Å; I62-R66 WeakPolarHBondContact O-CB 3.41Å; I62-R66 WeakPolarHBondContact O-CG 3.37Å; I62-R66 PolarHBondContact O-N 3.23Å; K64-R66 VanDerWaalsContact C-N 3.29Å; K64-R66 PolarHBondContact O-N 3.13Å; R66-I68 HydrophobicContact CB-CD1 3.69Å; R66-I68 HydrophobicContact CB-CG1 3.75Å; R66-I68 HydrophobicContact CB-CG2 4.4Å; R66-I68 HydrophobicContact CG-CD1 4.32Å; R66-E448 IonicContact CZ-OE2 2.67Å; R66-E448 IonicContact NE-OE2 3.65Å; R66-E448 IonicContact NH2-OE1 3.72Å; R66-E448 PolarHBondContact NH2-OE1 3.3Å; R66-E448 IonicContact NH2-OE2 3.67Å; R66-E448 PolarHBondContact NH2-OE2 2.99Å
67G50.9Low61Low53 Ų5342 Ų4255%0.54622%0.219SC..THydrogen-bonded Turntrans73.327.2-177.400000114.3E63 K64E63-G67 CarbonylContact O-C 3.57Å; E63-G67 VanDerWaalsContact O-CA 3.28Å; E63-G67 WeakPolarHBondContact O-CA 3.45Å; E63-G67 PolarHBondContact O-N 3.05Å; K64-G67 PolarHBondContact O-N 3.44Å
68I55.1Low63.5Low20 Ų2045.3 Ų45.310%0.10324%0.236CC..  trans-124.2151.5-169.762.6-178000112.2E63 R66 V70 H92 L445E63-I68 WeakPolarHBondContact CA-O 3.26Å; E63-I68 WeakPolarHBondContact CB-O 3.4Å; E63-I68 WeakPolarHBondContact CG-O 3.16Å; E63-I68 PolarHBondContact O-N 3.29Å; R66-I68 HydrophobicContact CB-CD1 3.69Å; R66-I68 HydrophobicContact CB-CG1 3.75Å; R66-I68 HydrophobicContact CB-CG2 4.4Å; R66-I68 HydrophobicContact CG-CD1 4.32Å; I68-V70 HydrophobicContact CD1-CG2 4.04Å; I68-V70 HydrophobicContact CG1-CG2 4.1Å; I68-H92 HydrophobicContact CB-CB 4.32Å; I68-H92 HydrophobicContact CD1-CB 4.26Å; I68-H92 HydrophobicContact CG2-CB 4.29Å; I68-L445 HydrophobicContact CD1-CD2 3.33Å
69S56.2Low65.7Low9 Ų942.4 Ų42.46%0.06322%0.219CC..  trans-86.7125.6161.8-71.70000109.1K50 P90 G91K50-S69 PolarHBondContact NZ-OG 2.93Å; S69-P90 WeakPolarHBondContact O-CA 3.21Å; S69-P90 WeakPolarHBondContact O-CB 3.46Å; S69-G91 PolarHBondContact O-N 3.1Å
70V52.7Low67.4Low12 Ų1245.2 Ų45.27%0.07323%0.234CC..  trans-98.8-32.3177.8170.20000111.7E63 I68 P90 F95 V449E63-V70 HydrophobicContact CG-CB 3.98Å; E63-V70 HydrophobicContact CG-CG2 3.76Å; E63-V70 WeakPolarHBondContact OE1-CB 3.3Å; E63-V70 PolarHBondContact OE1-N 3.4Å; I68-V70 HydrophobicContact CD1-CG2 4.04Å; I68-V70 HydrophobicContact CG1-CG2 4.1Å; V70-P90 WeakPolarHBondContact O-CG 3.42Å; V70-F95 HydrophobicContact CB-CE2 4.19Å; V70-F95 HydrophobicContact CB-CZ 4.34Å; V70-F95 HydrophobicContact CG1-CD1 4.09Å; V70-F95 HydrophobicContact CG1-CD2 4.29Å; V70-F95 HydrophobicContact CG1-CE1 3.6Å; V70-F95 HydrophobicContact CG1-CE2 3.79Å; V70-F95 HydrophobicContact CG1-CG 4.44Å; V70-F95 HydrophobicContact CG1-CZ 3.46Å; V70-F95 VanDerWaalsContact CG1-CZ 3.46Å; V70-F95 HydrophobicContact CG2-CD2 4.34Å; V70-F95 HydrophobicContact CG2-CE2 3.77Å; V70-F95 HydrophobicContact CG2-CZ 4.17Å; V70-V449 HydrophobicContact CG1-CG2 4.36Å
71T59.9Low69.3Low38 Ų3847.5 Ų47.523%0.23326%0.264CS..SBendtrans-116.4141.8178.561.70000112.2E63E63-T71 PolarHBondContact OE1-N 3.03Å
72S63.2Low71.2Confident2 Ų247.5 Ų47.51%0.01426%0.262CS..  trans-63.1155.1168.744.50000112.3D88 D98 K302S72-D88 CarbonylContact C-O 3.55Å; S72-D88 WeakPolarHBondContact CA-O 3.37Å; S72-D88 WeakPolarHBondContact CB-O 3.45Å; S72-D98 WeakPolarHBondContact CB-OD2 3.18Å; S72-D98 PolarHBondContact N-OD2 2.92Å; S72-D98 PolarHBondContact OG-OD2 2.88Å; S72-K302 PolarHBondContact O-NZ 2.75Å; S72-K302 WeakPolarHBondContact OG-CD 3.41Å; S72-K302 WeakPolarHBondContact OG-CE 3.31Å; S72-K302 PolarHBondContact OG-NZ 2.85Å; S72-K302 VanDerWaalsContact OG-NZ 3.07Å
73S68.4Low72.9Confident50 Ų5049.1 Ų49.135%0.3527%0.266SS..EExtended strand (participates in β ladder)trans-130.8142.2173.1-63.80000109.3L87 D88S73-L87 CarbonylContact O-C 3.43Å; S73-L87 WeakPolarHBondContact O-CA 3.37Å; S73-D88 PolarHBondContact N-O 3.19Å; S73-D88 VanDerWaalsContact N-O 3.17Å; S73-D88 PolarHBondContact O-N 2.9Å
74V77.9Confident74.4Confident11 Ų1148.3 Ų48.37%0.06726%0.263CS..EExtended strand (participates in β ladder)trans-104129.3176-178.10000107.6I86 L87 F301 F317 F348 I364V74-I86 WeakPolarHBondContact CA-O 3.5Å; V74-L87 HydrophobicContact CG2-CG 4.34Å; V74-F301 HydrophobicContact CG2-CZ 4.47Å; V74-F317 HydrophobicContact CB-CD1 4.38Å; V74-F317 HydrophobicContact CB-CE1 4.15Å; V74-F317 HydrophobicContact CG2-CD1 3.59Å; V74-F317 HydrophobicContact CG2-CE1 3.67Å; V74-F348 HydrophobicContact CB-CB 4.28Å; V74-F348 HydrophobicContact CB-CD2 4.39Å; V74-F348 WeakPolarHBondContact O-CB 3.47Å; V74-I364 HydrophobicContact CB-CG2 4.43Å; V74-I364 HydrophobicContact CG1-CB 3.72Å; V74-I364 HydrophobicContact CG1-CG1 4.18Å; V74-I364 HydrophobicContact CG1-CG2 3.81Å; V74-I364 HydrophobicContact CG2-CG2 3.91Å
75M83.7Confident76Confident15 Ų1544.4 Ų44.47%0.07425%0.246CC..EExtended strand (participates in β ladder)trans-135.4138.6178.6-68.7158.3-64.700109.1T30 L34 I86 D88 F348T30-M75 HydrophobicContact CG2-CE 3.36Å; T30-M75 HydrophobicContact CG2-SD 3.94Å; L34-M75 HydrophobicContact CD1-CG 4.39Å; L34-M75 HydrophobicContact CD1-SD 3.55Å; L34-M75 VanDerWaalsContact CD1-SD 3.55Å; L34-M75 HydrophobicContact CD2-CB 3.76Å; L34-M75 HydrophobicContact CD2-CG 4.46Å; M75-I86 HydrophobicContact CE-CG2 4.28Å; M75-I86 PolarHBondContact N-O 3.47Å; M75-I86 PolarHBondContact O-N 2.93Å; M75-D88 HydrophobicContact CE-CB 3.98Å; M75-F348 WeakPolarHBondContact CA-O 3.33Å
76Q86.6Confident77.7Confident4 Ų436.6 Ų36.62%0.01921%0.209CC..EExtended strand (participates in β ladder)trans-123.2144.6177.4-175.7177.476.600111.3R83 V84 N85 F348 M349 D363Q76-R83 HydrophobicContact CG-CG 3.96Å; Q76-R83 VanDerWaalsContact NE2-CD 3.26Å; Q76-R83 VanDerWaalsContact NE2-CG 3.31Å; Q76-V84 VanDerWaalsContact CA-O 3.27Å; Q76-V84 WeakPolarHBondContact CA-O 3.45Å; Q76-N85 WeakPolarHBondContact CG-OD1 3.32Å; Q76-N85 PolarHBondContact NE2-OD1 3.27Å; Q76-F348 PolarHBondContact N-O 3.28Å; Q76-M349 HydrophobicContact CB-SD 4.12Å; Q76-M349 HydrophobicContact CG-SD 4.49Å; Q76-D363 PolarHBondContact NE2-OD1 2.83Å
77F88.1Confident79.2Confident7 Ų730 Ų303%0.03118%0.184CC..EExtended strand (participates in β ladder)trans-151163.116964-86.4000110.8L33 L34 A39 F79 V84 I86 L268L33-F77 HydrophobicContact CB-CE1 4.4Å; L33-F77 HydrophobicContact CB-CZ 4.22Å; L34-F77 HydrophobicContact CD2-CD1 3.76Å; L34-F77 HydrophobicContact CD2-CE1 4.32Å; A39-F77 HydrophobicContact CB-CB 3.77Å; F77-F79 HydrophobicContact CD2-CB 4.04Å; F77-F79 HydrophobicContact CE2-CB 3.83Å; F77-V84 HydrophobicContact CD1-CB 4.18Å; F77-V84 HydrophobicContact CD1-CG1 4.39Å; F77-V84 HydrophobicContact CD2-CB 4.11Å; F77-V84 HydrophobicContact CD2-CG2 4.39Å; F77-V84 HydrophobicContact CE1-CB 3.79Å; F77-V84 HydrophobicContact CE1-CG1 3.58Å; F77-V84 HydrophobicContact CE2-CB 3.74Å; F77-V84 HydrophobicContact CE2-CG1 4.1Å; F77-V84 HydrophobicContact CE2-CG2 3.85Å; F77-V84 HydrophobicContact CG-CB 4.35Å; F77-V84 HydrophobicContact CZ-CB 3.59Å; F77-V84 HydrophobicContact CZ-CG1 3.44Å; F77-V84 VanDerWaalsContact CZ-CG1 3.44Å; F77-V84 HydrophobicContact CZ-CG2 4.05Å; F77-V84 PolarHBondContact N-O 2.93Å; F77-V84 PolarHBondContact O-N 3.09Å; F77-I86 HydrophobicContact CE1-CD1 3.58Å; F77-I86 HydrophobicContact CE1-CG1 3.85Å; F77-I86 HydrophobicContact CZ-CD1 4.35Å; F77-L268 HydrophobicContact CE2-CD1 4.38Å; F77-L268 HydrophobicContact CE2-CD2 4.09Å; F77-L268 HydrophobicContact CZ-CD1 4.26Å; F77-L268 HydrophobicContact CZ-CD2 4.41Å
78D90.5Very high80.5Confident82 Ų8227.8 Ų27.844%0.43916%0.16SC..EExtended strand (participates in β ladder)trans-104.7137.3174.4-66.8-35.5000109.5K82 R83D78-K82 CarbonylContact C-O 3.27Å; D78-K82 WeakPolarHBondContact CA-O 3.34Å; D78-R83 WeakPolarHBondContact OD1-CB 3.44Å; D78-R83 IonicContact OD1-CZ 2.91Å; D78-R83 IonicContact OD1-NE 3.33Å; D78-R83 PolarHBondContact OD1-NE 3.02Å; D78-R83 IonicContact OD1-NH2 3.41Å; D78-R83 PolarHBondContact OD1-NH2 3.37Å; D78-R83 IonicContact OD2-CZ 2.63Å; D78-R83 IonicContact OD2-NE 3.38Å; D78-R83 IonicContact OD2-NH2 2.69Å; D78-R83 PolarHBondContact OD2-NH2 3.29Å
79F92.1Very high81.5Confident24 Ų2426.8 Ų26.811%0.10516%0.155CC..EExtended strand (participates in β ladder)trans-149.3128.3179.1-175.6-94.4000109.4F36 F77 G81 K82 L268 E269 V272F36-F79 HydrophobicContact CB-CD2 4.42Å; F36-F79 HydrophobicContact CB-CE2 4.27Å; F77-F79 HydrophobicContact CD2-CB 4.04Å; F77-F79 HydrophobicContact CE2-CB 3.83Å; F79-G81 VanDerWaalsContact C-N 3.26Å; F79-G81 PolarHBondContact O-N 2.86Å; F79-G81 VanDerWaalsContact O-N 3.12Å; F79-K82 PolarHBondContact N-O 3.35Å; F79-K82 WeakPolarHBondContact O-CA 3.48Å; F79-K82 WeakPolarHBondContact O-CB 3.47Å; F79-K82 PolarHBondContact O-N 3.39Å; F79-L268 HydrophobicContact CB-CD2 4.49Å; F79-L268 HydrophobicContact CD1-CD1 4.4Å; F79-L268 HydrophobicContact CD1-CD2 3.97Å; F79-L268 HydrophobicContact CD1-CG 3.76Å; F79-L268 HydrophobicContact CD2-CD2 3.67Å; F79-L268 HydrophobicContact CD2-CG 4.36Å; F79-L268 HydrophobicContact CE1-CB 4.47Å; F79-L268 HydrophobicContact CE1-CD2 4.07Å; F79-L268 HydrophobicContact CE1-CG 3.73Å; F79-L268 HydrophobicContact CE2-CD2 3.78Å; F79-L268 HydrophobicContact CE2-CG 4.33Å; F79-L268 HydrophobicContact CG-CD2 3.77Å; F79-L268 HydrophobicContact CG-CG 4.09Å; F79-L268 HydrophobicContact CZ-CD2 3.98Å; F79-L268 HydrophobicContact CZ-CG 4.02Å; F79-E269 HydrophobicContact CE1-CG 4.11Å; F79-E269 HydrophobicContact CZ-CG 3.91Å; F79-V272 HydrophobicContact CD1-CG1 4.01Å; F79-V272 HydrophobicContact CD1-CG2 4.01Å; F79-V272 HydrophobicContact CE1-CG2 4.18Å
80E89.8Confident82.3Confident118 Ų11826.4 Ų26.455%0.55115%0.152SC*.THydrogen-bonded Turntrans46.842.2179.5-64.9-168.3143.500115.4K82E80-K82 PolarHBondContact O-N 2.91Å
81G91.2Very high82.8Confident73 Ų7326.1 Ų26.175%0.75315%0.152SC*.THydrogen-bonded Turntrans726.6-179.300000114.4F79F79-G81 VanDerWaalsContact C-N 3.26Å; F79-G81 PolarHBondContact O-N 2.86Å; F79-G81 VanDerWaalsContact O-N 3.12Å
82K94.4Very high83.2Confident52 Ų5226.6 Ų26.623%0.22615%0.151CC..EExtended strand (participates in β ladder)trans-100.1150.7168.9-52.7-57.2-174.1178.80110.6S12 R14 D78 F79 E80 V272S12-K82 CarbonylContact O-C 3.59Å; S12-K82 VanDerWaalsContact O-CA 3.23Å; S12-K82 WeakPolarHBondContact O-CA 3.27Å; S12-K82 WeakPolarHBondContact O-CB 3.46Å; R14-K82 HydrophobicContact CG-CB 4.49Å; D78-K82 CarbonylContact C-O 3.27Å; D78-K82 WeakPolarHBondContact CA-O 3.34Å; F79-K82 PolarHBondContact N-O 3.35Å; F79-K82 WeakPolarHBondContact O-CA 3.48Å; F79-K82 WeakPolarHBondContact O-CB 3.47Å; F79-K82 PolarHBondContact O-N 3.39Å; E80-K82 PolarHBondContact O-N 2.91Å; K82-V272 HydrophobicContact CB-CB 4.5Å; K82-V272 HydrophobicContact CG-CB 4.06Å
83R92.7Very high83.5Confident56 Ų5631.2 Ų31.221%0.21117%0.173CC..EExtended strand (participates in β ladder)trans-105.4113.7171.8178.8153.6-76.1-172.3-2.4109.2S12 R13 R14 Q76 D78S12-R83 PolarHBondContact O-N 3.37Å; R13-R83 CarbonylContact C-O 3.39Å; R13-R83 WeakPolarHBondContact CA-O 3.44Å; R13-R83 HydrophobicContact CG-CB 4.48Å; R14-R83 PolarHBondContact N-O 3.25Å; Q76-R83 HydrophobicContact CG-CG 3.96Å; Q76-R83 VanDerWaalsContact NE2-CD 3.26Å; Q76-R83 VanDerWaalsContact NE2-CG 3.31Å; D78-R83 WeakPolarHBondContact OD1-CB 3.44Å; D78-R83 IonicContact OD1-CZ 2.91Å; D78-R83 IonicContact OD1-NE 3.33Å; D78-R83 PolarHBondContact OD1-NE 3.02Å; D78-R83 IonicContact OD1-NH2 3.41Å; D78-R83 PolarHBondContact OD1-NH2 3.37Å; D78-R83 IonicContact OD2-CZ 2.63Å; D78-R83 IonicContact OD2-NE 3.38Å; D78-R83 IonicContact OD2-NH2 2.69Å; D78-R83 PolarHBondContact OD2-NH2 3.29Å
84V93.7Very high83.4Confident0 Ų029.9 Ų29.90%016%0.162CC..EExtended strand (participates in β ladder)trans-103.6122.5-171.2-175.70000110R14 F16 Q76 F77 I86 V272R14-V84 HydrophobicContact CB-CG2 4.46Å; R14-V84 CarbonylContact O-C 3.52Å; R14-V84 WeakPolarHBondContact O-CA 3.38Å; F16-V84 HydrophobicContact CD1-CG1 4.13Å; F16-V84 HydrophobicContact CE1-CG1 3.47Å; F16-V84 VanDerWaalsContact CE1-CG1 3.47Å; Q76-V84 VanDerWaalsContact CA-O 3.27Å; Q76-V84 WeakPolarHBondContact CA-O 3.45Å; F77-V84 HydrophobicContact CD1-CB 4.18Å; F77-V84 HydrophobicContact CD1-CG1 4.39Å; F77-V84 HydrophobicContact CD2-CB 4.11Å; F77-V84 HydrophobicContact CD2-CG2 4.39Å; F77-V84 HydrophobicContact CE1-CB 3.79Å; F77-V84 HydrophobicContact CE1-CG1 3.58Å; F77-V84 HydrophobicContact CE2-CB 3.74Å; F77-V84 HydrophobicContact CE2-CG1 4.1Å; F77-V84 HydrophobicContact CE2-CG2 3.85Å; F77-V84 HydrophobicContact CG-CB 4.35Å; F77-V84 HydrophobicContact CZ-CB 3.59Å; F77-V84 HydrophobicContact CZ-CG1 3.44Å; F77-V84 VanDerWaalsContact CZ-CG1 3.44Å; F77-V84 HydrophobicContact CZ-CG2 4.05Å; F77-V84 PolarHBondContact N-O 2.93Å; F77-V84 PolarHBondContact O-N 3.09Å; V84-I86 HydrophobicContact CG1-CG1 4.32Å; V84-V272 HydrophobicContact CG2-CG1 4Å
85N93.2Very high83.1Confident2 Ų230 Ų301%0.01116%0.162CC..EExtended strand (participates in β ladder)trans-109.1110.9177.2-66.5-51.8000109.2R14 T15 F16 Q76 G362 D363R14-N85 PolarHBondContact O-N 3.4Å; T15-N85 WeakPolarHBondContact CA-O 3.26Å; T15-N85 HydrophobicContact CG2-CB 3.63Å; F16-N85 PolarHBondContact N-O 2.88Å; Q76-N85 WeakPolarHBondContact CG-OD1 3.32Å; Q76-N85 PolarHBondContact NE2-OD1 3.27Å; N85-G362 PolarHBondContact ND2-O 3.41Å; N85-G362 VanDerWaalsContact ND2-O 3.11Å; N85-D363 PolarHBondContact ND2-OD1 3.01Å
86I92.5Very high82.3Confident0 Ų029.9 Ų29.90%016%0.162CC..EExtended strand (participates in β ladder)trans-97.7126.5174.6-53.8-169.5000109.6F16 I18 T30 L33 V74 M75 F77 V84F16-I86 HydrophobicContact CD1-CG1 4.5Å; F16-I86 HydrophobicContact CE1-CD1 4.2Å; F16-I86 HydrophobicContact CE1-CG1 3.65Å; F16-I86 HydrophobicContact CE2-CD1 4.45Å; F16-I86 HydrophobicContact CE2-CG1 4.3Å; F16-I86 HydrophobicContact CE2-CG2 4.4Å; F16-I86 HydrophobicContact CZ-CB 4.46Å; F16-I86 HydrophobicContact CZ-CD1 3.67Å; F16-I86 HydrophobicContact CZ-CG1 3.53Å; F16-I86 HydrophobicContact CZ-CG2 4.43Å; F16-I86 WeakPolarHBondContact O-CA 3.23Å; I18-I86 HydrophobicContact CD1-CG2 3.95Å; I18-I86 HydrophobicContact CG1-CG2 4.37Å; T30-I86 HydrophobicContact CG2-CG2 4.4Å; L33-I86 HydrophobicContact CB-CD1 3.97Å; L33-I86 HydrophobicContact CD1-CD1 3.87Å; V74-I86 WeakPolarHBondContact CA-O 3.5Å; M75-I86 HydrophobicContact CE-CG2 4.28Å; M75-I86 PolarHBondContact N-O 3.47Å; M75-I86 PolarHBondContact O-N 2.93Å; F77-I86 HydrophobicContact CE1-CD1 3.58Å; F77-I86 HydrophobicContact CE1-CG1 3.85Å; F77-I86 HydrophobicContact CZ-CD1 4.35Å; V84-I86 HydrophobicContact CG1-CG1 4.32Å
87L89.9Confident81.8Confident1 Ų130.6 Ų30.61%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-105.9102.2167.6-69.980.2000109T15 F16 A17 I18 S73 V74 T89 T102 A105 V106 F301 I364T15-L87 HydrophobicContact CG2-CD1 3.53Å; F16-L87 PolarHBondContact O-N 2.99Å; A17-L87 VanDerWaalsContact CA-O 3.27Å; A17-L87 WeakPolarHBondContact CA-O 3.39Å; A17-L87 HydrophobicContact CB-CB 4.49Å; I18-L87 PolarHBondContact N-O 3.43Å; S73-L87 CarbonylContact O-C 3.43Å; S73-L87 WeakPolarHBondContact O-CA 3.37Å; V74-L87 HydrophobicContact CG2-CG 4.34Å; L87-T89 PolarHBondContact O-N 3.33Å; L87-T102 HydrophobicContact CB-CG2 3.54Å; L87-T102 HydrophobicContact CD2-CG2 3.74Å; L87-T102 HydrophobicContact CG-CG2 4.27Å; L87-A105 HydrophobicContact CD2-CB 4.01Å; L87-V106 HydrophobicContact CB-CG1 4.09Å; L87-V106 HydrophobicContact CD1-CG1 3.73Å; L87-V106 HydrophobicContact CD2-CG1 3.99Å; L87-V106 HydrophobicContact CG-CG1 4.12Å; L87-F301 HydrophobicContact CD2-CE2 3.66Å; L87-F301 HydrophobicContact CD2-CZ 3.61Å; L87-I364 HydrophobicContact CD1-CD1 4.45Å; L87-I364 HydrophobicContact CD1-CG1 3.95Å; L87-I364 HydrophobicContact CD2-CD1 4.42Å; L87-I364 HydrophobicContact CD2-CG1 4.4Å
88D78.2Confident81.3Confident7 Ų731.1 Ų31.14%0.03717%0.168CC..EExtended strand (participates in β ladder)trans-69.5125.7174.7-171.932.3000108.9K26 S72 S73 M75K26-D88 VanDerWaalsContact CD-OD1 3.31Å; K26-D88 WeakPolarHBondContact CD-OD1 3.03Å; K26-D88 WeakPolarHBondContact CG-OD1 3.45Å; K26-D88 VanDerWaalsContact NZ-CG 3.33Å; K26-D88 IonicContact NZ-OD1 3.66Å; K26-D88 PolarHBondContact NZ-OD1 2.82Å; K26-D88 IonicContact NZ-OD2 2.77Å; K26-D88 PolarHBondContact NZ-OD2 3.35Å; S72-D88 CarbonylContact C-O 3.55Å; S72-D88 WeakPolarHBondContact CA-O 3.37Å; S72-D88 WeakPolarHBondContact CB-O 3.45Å; S73-D88 PolarHBondContact N-O 3.19Å; S73-D88 VanDerWaalsContact N-O 3.17Å; S73-D88 PolarHBondContact O-N 2.9Å; M75-D88 HydrophobicContact CE-CB 3.98Å
89T76.6Confident80.8Confident0 Ų027.2 Ų27.20%015%0.147CC..PPolyproline II helixtrans-97.2146.1-178.861.60000111.7A17 I18 K26 L87 G91 T99 T102A17-T89 HydrophobicContact CB-CG2 3.87Å; I18-T89 PolarHBondContact O-OG1 3.02Å; K26-T89 WeakPolarHBondContact CE-O 3.35Å; K26-T89 PolarHBondContact NZ-O 3.33Å; L87-T89 PolarHBondContact O-N 3.33Å; T89-G91 PolarHBondContact O-N 3.43Å; T89-T99 HydrophobicContact CG2-CG2 3.92Å; T89-T102 HydrophobicContact CG2-CG2 3.89Å
90P72.6Confident80.2Confident0 Ų027.1 Ų27.10%015%0.147CC..PPolyproline II helixtrans-55.2134.8169-28.636.7000112.3S69 V70 F95 D98 T99S69-P90 WeakPolarHBondContact O-CA 3.21Å; S69-P90 WeakPolarHBondContact O-CB 3.46Å; V70-P90 WeakPolarHBondContact O-CG 3.42Å; P90-F95 HydrophobicContact CB-CB 3.59Å; P90-F95 HydrophobicContact CB-CG 4.48Å; P90-F95 HydrophobicContact CG-CB 4.21Å; P90-D98 HydrophobicContact CG-CB 4.2Å; P90-T99 WeakPolarHBondContact CD-OG1 3.05Å; P90-T99 PolarHBondContact O-OG1 3.34Å
91G62.7Low80Confident6 Ų621.7 Ų21.76%0.06212%0.121CC..  trans-88.9-16.4-176.100000114.3P22 S69 T89P22-G91 WeakPolarHBondContact CD-O 3.45Å; P22-G91 VanDerWaalsContact CG-O 3.3Å; P22-G91 WeakPolarHBondContact CG-O 3.12Å; S69-G91 PolarHBondContact O-N 3.1Å; T89-G91 PolarHBondContact O-N 3.43Å
92H69.5Low79.8Confident49 Ų4918.2 Ų18.223%0.2279%0.085CC..SBendtrans-90142.4-176.2-167.6-79.3000111.3I68 D94 F95I68-H92 HydrophobicContact CB-CB 4.32Å; I68-H92 HydrophobicContact CD1-CB 4.26Å; I68-H92 HydrophobicContact CG2-CB 4.29Å; H92-D94 VanDerWaalsContact C-N 3.32Å; H92-D94 VanDerWaalsContact CE1-CG 3.45Å; H92-D94 IonicContact CE1-OD1 2.79Å; H92-D94 PolarHBondContact CE1-OD1 2.76Å; H92-D94 IonicContact CE1-OD2 3.67Å; H92-D94 WeakPolarHBondContact ND1-CB 3.44Å; H92-D94 PolarHBondContact ND1-N 2.94Å; H92-D94 IonicContact ND1-OD1 3.73Å; H92-D94 PolarHBondContact O-N 2.97Å; H92-F95 HydrophobicContact CB-CD2 4.27Å; H92-F95 PolarHBondContact O-N 3.36Å; H92-F95 VanDerWaalsContact O-N 3.09Å
93E68.3Low79.5Confident99 Ų9915.9 Ų15.946%0.4638%0.075SC..G310 helixtrans-62.6-35.6-173.963.1-176.7166.500113.8F95 S96 K125E93-F95 PolarHBondContact O-N 3.41Å; E93-F95 VanDerWaalsContact O-N 3.08Å; E93-S96 VanDerWaalsContact O-CB 3.23Å; E93-S96 WeakPolarHBondContact O-CB 3.22Å; E93-S96 PolarHBondContact O-N 3.41Å; E93-S96 PolarHBondContact O-OG 3.21Å; E93-K125 IonicContact OE2-NZ 3.58Å; E93-K125 PolarHBondContact OE2-NZ 2.92Å
94D68.2Low79.2Confident22 Ų2214.7 Ų14.712%0.1187%0.072CC..G310 helixtrans-60.4-15.2175.1-66.219.3000114.5H92 G443 Q444 L445 Q446H92-D94 VanDerWaalsContact C-N 3.32Å; H92-D94 VanDerWaalsContact CE1-CG 3.45Å; H92-D94 IonicContact CE1-OD1 2.79Å; H92-D94 PolarHBondContact CE1-OD1 2.76Å; H92-D94 IonicContact CE1-OD2 3.67Å; H92-D94 WeakPolarHBondContact ND1-CB 3.44Å; H92-D94 PolarHBondContact ND1-N 2.94Å; H92-D94 IonicContact ND1-OD1 3.73Å; H92-D94 PolarHBondContact O-N 2.97Å; D94-G443 VanDerWaalsContact CG-CA 3.45Å; D94-G443 VanDerWaalsContact OD2-C 3.27Å; D94-G443 WeakPolarHBondContact OD2-CA 3.32Å; D94-Q444 PolarHBondContact OD2-N 3.19Å; D94-L445 HydrophobicContact CB-CB 3.94Å; D94-L445 WeakPolarHBondContact OD2-CB 3.34Å; D94-L445 PolarHBondContact OD2-N 3.36Å; D94-Q446 HydrophobicContact CB-CG 4.46Å; D94-Q446 VanDerWaalsContact O-CG 3.25Å; D94-Q446 WeakPolarHBondContact O-CG 3.49Å; D94-Q446 PolarHBondContact O-OE1 2.92Å
95F69.9Low79.1Confident14 Ų1414.7 Ų14.76%0.0617%0.072CC..G310 helixtrans-108.721.9177.2-66.2-75.2000113.1V70 P90 H92 E93 E97 D98 T99 L445 Q446 V449V70-F95 HydrophobicContact CB-CE2 4.19Å; V70-F95 HydrophobicContact CB-CZ 4.34Å; V70-F95 HydrophobicContact CG1-CD1 4.09Å; V70-F95 HydrophobicContact CG1-CD2 4.29Å; V70-F95 HydrophobicContact CG1-CE1 3.6Å; V70-F95 HydrophobicContact CG1-CE2 3.79Å; V70-F95 HydrophobicContact CG1-CG 4.44Å; V70-F95 HydrophobicContact CG1-CZ 3.46Å; V70-F95 VanDerWaalsContact CG1-CZ 3.46Å; V70-F95 HydrophobicContact CG2-CD2 4.34Å; V70-F95 HydrophobicContact CG2-CE2 3.77Å; V70-F95 HydrophobicContact CG2-CZ 4.17Å; P90-F95 HydrophobicContact CB-CB 3.59Å; P90-F95 HydrophobicContact CB-CG 4.48Å; P90-F95 HydrophobicContact CG-CB 4.21Å; H92-F95 HydrophobicContact CB-CD2 4.27Å; H92-F95 PolarHBondContact O-N 3.36Å; H92-F95 VanDerWaalsContact O-N 3.09Å; E93-F95 PolarHBondContact O-N 3.41Å; E93-F95 VanDerWaalsContact O-N 3.08Å; F95-E97 VanDerWaalsContact C-N 3.27Å; F95-E97 PolarHBondContact O-N 3.36Å; F95-D98 PolarHBondContact O-N 3.35Å; F95-T99 PolarHBondContact O-N 2.82Å; F95-T99 PolarHBondContact O-OG1 2.79Å; F95-L445 HydrophobicContact CD2-CD2 4.34Å; F95-L445 HydrophobicContact CE2-CB 4.48Å; F95-L445 HydrophobicContact CE2-CD2 3.54Å; F95-L445 HydrophobicContact CE2-CG 3.82Å; F95-L445 HydrophobicContact CZ-CD2 4.39Å; F95-L445 HydrophobicContact CZ-CG 4.2Å; F95-Q446 HydrophobicContact CD1-CG 4.42Å; F95-Q446 HydrophobicContact CE1-CG 3.99Å; F95-Q446 HydrophobicContact CZ-CG 4.32Å; F95-V449 HydrophobicContact CZ-CB 4.41Å; F95-V449 HydrophobicContact CZ-CG2 3.84Å
96S67.7Low79.2Confident12 Ų1214.8 Ų14.88%0.0847%0.073CC..Hα-helixtrans-52.2-40.4179.153.20000113.5E93 D98 T99 Y100E93-S96 VanDerWaalsContact O-CB 3.23Å; E93-S96 WeakPolarHBondContact O-CB 3.22Å; E93-S96 PolarHBondContact O-N 3.41Å; E93-S96 PolarHBondContact O-OG 3.21Å; S96-D98 PolarHBondContact O-N 3.06Å; S96-T99 CarbonylContact O-C 3.57Å; S96-T99 WeakPolarHBondContact O-CB 3.35Å; S96-T99 PolarHBondContact O-N 3.16Å; S96-Y100 WeakPolarHBondContact O-CD2 3.32Å; S96-Y100 PolarHBondContact O-N 3.21Å
97E75.3Confident79.4Confident19 Ų1914.8 Ų14.89%0.0897%0.073CC..Hα-helixtrans-60.1-44.6179.4-165.7-177.1156.900112.6F95 T99 Y100 R101 F394F95-E97 VanDerWaalsContact C-N 3.27Å; F95-E97 PolarHBondContact O-N 3.36Å; E97-T99 VanDerWaalsContact C-N 3.32Å; E97-T99 PolarHBondContact O-N 3.15Å; E97-Y100 PolarHBondContact O-N 2.8Å; E97-R101 VanDerWaalsContact O-CG 3.3Å; E97-R101 WeakPolarHBondContact O-CG 3.22Å; E97-R101 PolarHBondContact O-N 3.09Å; E97-R101 IonicContact OE1-CZ 3.45Å; E97-R101 IonicContact OE1-NH1 3.7Å; E97-R101 PolarHBondContact OE1-NH1 3.2Å; E97-R101 IonicContact OE2-NH1 3.82Å; E97-F394 HydrophobicContact CB-CD2 3.91Å; E97-F394 HydrophobicContact CB-CE2 4.46Å; E97-F394 HydrophobicContact CG-CD2 3.85Å; E97-F394 HydrophobicContact CG-CE2 4.37Å
98D78.5Confident79.7Confident17 Ų1714.7 Ų14.79%0.0917%0.073CC..Hα-helixtrans-65-39.9176.8-165.561.9000111.5S72 P90 F95 S96 R101 T102S72-D98 WeakPolarHBondContact CB-OD2 3.18Å; S72-D98 PolarHBondContact N-OD2 2.92Å; S72-D98 PolarHBondContact OG-OD2 2.88Å; P90-D98 HydrophobicContact CG-CB 4.2Å; F95-D98 PolarHBondContact O-N 3.35Å; S96-D98 PolarHBondContact O-N 3.06Å; D98-R101 IonicContact OD1-CZ 3.18Å; D98-R101 IonicContact OD1-NH2 3.34Å; D98-R101 PolarHBondContact OD1-NH2 3.32Å; D98-T102 VanDerWaalsContact O-CB 3.3Å; D98-T102 WeakPolarHBondContact O-CB 3.42Å; D98-T102 PolarHBondContact O-N 3.28Å; D98-T102 PolarHBondContact O-OG1 2.94Å
99T79.3Confident80.5Confident0 Ų014.4 Ų14.40%07%0.071CC..Hα-helixtrans-60.3-45.4174.2-61.30000111.5T89 P90 F95 S96 E97 T102 L103 L126T89-T99 HydrophobicContact CG2-CG2 3.92Å; P90-T99 WeakPolarHBondContact CD-OG1 3.05Å; P90-T99 PolarHBondContact O-OG1 3.34Å; F95-T99 PolarHBondContact O-N 2.82Å; F95-T99 PolarHBondContact O-OG1 2.79Å; S96-T99 CarbonylContact O-C 3.57Å; S96-T99 WeakPolarHBondContact O-CB 3.35Å; S96-T99 PolarHBondContact O-N 3.16Å; E97-T99 VanDerWaalsContact C-N 3.32Å; E97-T99 PolarHBondContact O-N 3.15Å; T99-T102 WeakPolarHBondContact O-CB 3.33Å; T99-T102 PolarHBondContact O-N 3.21Å; T99-L103 HydrophobicContact CG2-CD1 4.26Å; T99-L103 WeakPolarHBondContact O-CG 3.13Å; T99-L103 PolarHBondContact O-N 3.2Å; T99-L126 HydrophobicContact CG2-CD1 4.44Å; T99-L126 HydrophobicContact CG2-CD2 3.36Å
100Y80.2Confident81.5Confident23 Ų2314.4 Ų14.49%0.097%0.071CC..Hα-helixtrans-70.3-38.2-178.7-62.4-45.6000113.1S96 E97 T102 L103 M104 L126 V129 F394S96-Y100 WeakPolarHBondContact O-CD2 3.32Å; S96-Y100 PolarHBondContact O-N 3.21Å; E97-Y100 PolarHBondContact O-N 2.8Å; Y100-T102 VanDerWaalsContact C-N 3.29Å; Y100-T102 PolarHBondContact O-N 2.95Å; Y100-L103 HydrophobicContact CD1-CD1 4.14Å; Y100-L103 WeakPolarHBondContact O-CB 3.49Å; Y100-L103 PolarHBondContact O-N 2.85Å; Y100-M104 PolarHBondContact O-N 2.96Å; Y100-L126 HydrophobicContact CE1-CD2 3.99Å; Y100-V129 HydrophobicContact CD1-CB 3.73Å; Y100-V129 HydrophobicContact CD1-CG1 3.5Å; Y100-V129 HydrophobicContact CD1-CG2 3.67Å; Y100-V129 HydrophobicContact CE1-CB 3.55Å; Y100-V129 HydrophobicContact CE1-CG1 3.89Å; Y100-V129 HydrophobicContact CE1-CG2 3.12Å; Y100-V129 HydrophobicContact CG-CG1 4.31Å; Y100-F394 HydrophobicContact CD2-CD2 4.08Å; Y100-F394 AromaticContact CD2-CE1 3.9Å; Y100-F394 HydrophobicContact CD2-CE1 3.9Å; Y100-F394 AromaticContact CD2-CE2 3.07Å; Y100-F394 HydrophobicContact CD2-CE2 3.07Å; Y100-F394 AromaticContact CD2-CZ 2.94Å; Y100-F394 HydrophobicContact CD2-CZ 2.94Å; Y100-F394 AromaticContact CE2-CE1 3.62Å; Y100-F394 HydrophobicContact CE2-CE1 3.62Å; Y100-F394 AromaticContact CE2-CE2 3.67Å; Y100-F394 HydrophobicContact CE2-CE2 3.67Å; Y100-F394 AromaticContact CE2-CZ 3.13Å; Y100-F394 HydrophobicContact CE2-CZ 3.13Å; Y100-F394 AromaticContact CG-CE2 3.95Å; Y100-F394 HydrophobicContact CG-CE2 3.95Å; Y100-F394 AromaticContact CG-CZ 3.82Å; Y100-F394 HydrophobicContact CG-CZ 3.82Å
101R84.4Confident82.6Confident4 Ų414.4 Ų14.42%0.0157%0.071CC..Hα-helixtrans-64.4-37.4172.1-66.6-175.8-56.5-1191112E97 D98 L103 M104 F301 L391E97-R101 VanDerWaalsContact O-CG 3.3Å; E97-R101 WeakPolarHBondContact O-CG 3.22Å; E97-R101 PolarHBondContact O-N 3.09Å; E97-R101 IonicContact OE1-CZ 3.45Å; E97-R101 IonicContact OE1-NH1 3.7Å; E97-R101 PolarHBondContact OE1-NH1 3.2Å; E97-R101 IonicContact OE2-NH1 3.82Å; D98-R101 IonicContact OD1-CZ 3.18Å; D98-R101 IonicContact OD1-NH2 3.34Å; D98-R101 PolarHBondContact OD1-NH2 3.32Å; R101-L103 VanDerWaalsContact C-N 3.31Å; R101-L103 PolarHBondContact O-N 2.97Å; R101-M104 WeakPolarHBondContact O-CB 3.16Å; R101-M104 PolarHBondContact O-N 2.88Å; R101-F301 WeakPolarHBondContact CB-O 3.15Å; R101-L391 HydrophobicContact CG-CB 4.37Å
102T87.6Confident84.2Confident0 Ų014.1 Ų14.10%07%0.068CC..Hα-helixtrans-62.7-40174.1-60.40000111.2L87 T89 D98 T99 Y100 M104 A105L87-T102 HydrophobicContact CB-CG2 3.54Å; L87-T102 HydrophobicContact CD2-CG2 3.74Å; L87-T102 HydrophobicContact CG-CG2 4.27Å; T89-T102 HydrophobicContact CG2-CG2 3.89Å; D98-T102 VanDerWaalsContact O-CB 3.3Å; D98-T102 WeakPolarHBondContact O-CB 3.42Å; D98-T102 PolarHBondContact O-N 3.28Å; D98-T102 PolarHBondContact O-OG1 2.94Å; T99-T102 WeakPolarHBondContact O-CB 3.33Å; T99-T102 PolarHBondContact O-N 3.21Å; Y100-T102 VanDerWaalsContact C-N 3.29Å; Y100-T102 PolarHBondContact O-N 2.95Å; T102-M104 PolarHBondContact O-N 3.05Å; T102-A105 PolarHBondContact O-N 3.07Å
103L88Confident85.5Confident2 Ų211.9 Ų11.91%0.016%0.058CC..Hα-helixtrans-65.3-21.9176.5-73170.1000113.7A17 I19 T99 Y100 R101 A105 V106 V129 V130 I135A17-L103 HydrophobicContact CB-CD2 3.81Å; I19-L103 HydrophobicContact CG2-CD1 4.48Å; I19-L103 HydrophobicContact CG2-CD2 3.89Å; T99-L103 HydrophobicContact CG2-CD1 4.26Å; T99-L103 WeakPolarHBondContact O-CG 3.13Å; T99-L103 PolarHBondContact O-N 3.2Å; Y100-L103 HydrophobicContact CD1-CD1 4.14Å; Y100-L103 WeakPolarHBondContact O-CB 3.49Å; Y100-L103 PolarHBondContact O-N 2.85Å; R101-L103 VanDerWaalsContact C-N 3.31Å; R101-L103 PolarHBondContact O-N 2.97Å; L103-A105 VanDerWaalsContact C-N 3.27Å; L103-A105 PolarHBondContact O-N 2.89Å; L103-V106 HydrophobicContact CD2-CG2 4.33Å; L103-V106 VanDerWaalsContact O-CG2 3.3Å; L103-V106 WeakPolarHBondContact O-CG2 3.47Å; L103-V129 HydrophobicContact CD1-CG1 4.44Å; L103-V130 HydrophobicContact CD1-CG2 3.81Å; L103-V130 HydrophobicContact CD2-CG2 3.88Å; L103-V130 HydrophobicContact CG-CG2 4.45Å; L103-I135 VanDerWaalsContact O-CD1 3.28Å; L103-I135 WeakPolarHBondContact O-CD1 3.34Å
104M87.3Confident86.9Confident31 Ų317.6 Ų7.615%0.1534%0.038CC..THydrogen-bonded Turntrans-75-17.6172.8-64.9-60.9-60.300113.2Y100 R101 T102 R133 F299 L391 P392Y100-M104 PolarHBondContact O-N 2.96Å; R101-M104 WeakPolarHBondContact O-CB 3.16Å; R101-M104 PolarHBondContact O-N 2.88Å; T102-M104 PolarHBondContact O-N 3.05Å; M104-R133 HydrophobicContact SD-CG 4.35Å; M104-R133 PolarHBondContact SD-NE 2.92Å; M104-R133 VanDerWaalsContact SD-NE 3.4Å; M104-F299 WeakPolarHBondContact O-CZ 3.33Å; M104-L391 HydrophobicContact CB-CD2 3.47Å; M104-L391 VanDerWaalsContact CB-CD2 3.47Å; M104-L391 HydrophobicContact CG-CD2 3.68Å; M104-P392 HydrophobicContact CG-CG 4.18Å
105A91.8Very high88.3Confident0 Ų06.8 Ų6.80%03%0.034CC..THydrogen-bonded Turntrans-97.37.3-175.700000113.7L87 T102 L103 F299 F301 R319L87-A105 HydrophobicContact CD2-CB 4.01Å; T102-A105 PolarHBondContact O-N 3.07Å; L103-A105 VanDerWaalsContact C-N 3.27Å; L103-A105 PolarHBondContact O-N 2.89Å; A105-F299 HydrophobicContact CB-CE2 4.47Å; A105-F301 HydrophobicContact CB-CB 4.06Å; A105-F301 HydrophobicContact CB-CD1 3.56Å; A105-F301 HydrophobicContact CB-CD2 3.76Å; A105-F301 HydrophobicContact CB-CE1 3.85Å; A105-F301 HydrophobicContact CB-CE2 4.03Å; A105-F301 HydrophobicContact CB-CG 3.51Å; A105-F301 HydrophobicContact CB-CZ 4.07Å; A105-R319 HydrophobicContact CB-CB 4.09Å; A105-R319 HydrophobicContact CB-CG 4.48Å; A105-R319 WeakPolarHBondContact O-CD 3.19Å; A105-R319 PolarHBondContact O-NH1 3.22Å
106V94.7Very high89.6Confident4 Ų48.5 Ų8.52%0.0245%0.051CC..  trans-121.2153.8-175.4-61.50000111.8T15 A17 L87 L103 S108T15-V106 HydrophobicContact CG2-CG1 4.28Å; A17-V106 HydrophobicContact CB-CG1 3.92Å; A17-V106 HydrophobicContact CB-CG2 4.1Å; L87-V106 HydrophobicContact CB-CG1 4.09Å; L87-V106 HydrophobicContact CD1-CG1 3.73Å; L87-V106 HydrophobicContact CD2-CG1 3.99Å; L87-V106 HydrophobicContact CG-CG1 4.12Å; L103-V106 HydrophobicContact CD2-CG2 4.33Å; L103-V106 VanDerWaalsContact O-CG2 3.3Å; L103-V106 WeakPolarHBondContact O-CG2 3.47Å; V106-S108 WeakPolarHBondContact CG2-O 3.45Å
107D95.6Very high91Very high0 Ų012.1 Ų12.10%07%0.065CC..SBendtrans-92.7-19.5178-55.6-66.6000111.6T15 P136 P276 P278 H279 R319T15-D107 VanDerWaalsContact CB-OD2 3.32Å; T15-D107 WeakPolarHBondContact CB-OD2 3.27Å; T15-D107 PolarHBondContact O-N 2.88Å; T15-D107 PolarHBondContact OG1-OD2 3.3Å; D107-P136 WeakPolarHBondContact O-CD 2.79Å; D107-P276 HydrophobicContact CB-CB 4.38Å; D107-P276 HydrophobicContact CB-CG 3.95Å; D107-P276 WeakPolarHBondContact O-CG 3.34Å; D107-P278 WeakPolarHBondContact OD1-CA 3.48Å; D107-H279 IonicContact OD1-CD2 2.71Å; D107-H279 IonicContact OD1-NE2 2.81Å; D107-R319 IonicContact OD1-CZ 3.95Å; D107-R319 IonicContact OD1-NH2 2.67Å; D107-R319 PolarHBondContact OD1-NH2 3.17Å; D107-R319 IonicContact OD2-CZ 3.99Å; D107-R319 IonicContact OD2-NH1 2.73Å; D107-R319 PolarHBondContact OD2-NH1 3.35Å; D107-R319 IonicContact OD2-NH2 3.37Å; D107-R319 PolarHBondContact OD2-NH2 3.03Å
108S96.8Very high92Very high0 Ų011.3 Ų11.30%06%0.061CC..EExtended strand (participates in β ladder)trans-152.1170177.3530000111.7T15 F16 A17 V106 P136T15-S108 PolarHBondContact O-N 2.87Å; F16-S108 WeakPolarHBondContact CA-O 3.24Å; F16-S108 VanDerWaalsContact CB-O 3.31Å; F16-S108 WeakPolarHBondContact CB-O 3.43Å; F16-S108 WeakPolarHBondContact CB-OG 3.31Å; A17-S108 PolarHBondContact N-O 3.14Å; V106-S108 WeakPolarHBondContact CG2-O 3.45Å; S108-P136 CarbonylContact C-O 3.51Å; S108-P136 WeakPolarHBondContact CA-O 3.34Å; S108-P136 WeakPolarHBondContact CB-O 3.49Å
109A95.7Very high92.8Very high0 Ų011.5 Ų11.50%06%0.062CC..EExtended strand (participates in β ladder)trans-128.9146173.100000111.6A17 I19 V130 I135 P136 I137 F138A17-A109 CarbonylContact O-C 3.59Å; A17-A109 WeakPolarHBondContact O-CA 3.3Å; I19-A109 HydrophobicContact CD1-CB 4.25Å; A109-V130 HydrophobicContact CB-CG1 3.88Å; A109-V130 HydrophobicContact CB-CG2 4.35Å; A109-I135 HydrophobicContact CB-CG2 4.35Å; A109-P136 PolarHBondContact N-O 3.17Å; A109-I137 WeakPolarHBondContact O-CA 3.27Å; A109-F138 PolarHBondContact O-N 2.78Å
110V96.9Very high93.4Very high0 Ų013.1 Ų13.10%07%0.07CC..EExtended strand (participates in β ladder)trans-108.1112.7170.7177.10000108.3F16 A17 I18 I19 V112 F138 F267 F271F16-V110 HydrophobicContact CD2-CB 4.03Å; F16-V110 HydrophobicContact CD2-CG2 3.39Å; F16-V110 HydrophobicContact CE2-CB 4.06Å; F16-V110 HydrophobicContact CE2-CG2 3.5Å; F16-V110 HydrophobicContact CG-CG2 4.24Å; F16-V110 HydrophobicContact CZ-CG2 4.41Å; A17-V110 PolarHBondContact O-N 2.94Å; I18-V110 CarbonylContact C-O 3.57Å; I18-V110 WeakPolarHBondContact CA-O 3.31Å; I18-V110 HydrophobicContact CG1-CB 4.3Å; I19-V110 PolarHBondContact N-O 2.94Å; V110-V112 HydrophobicContact CG1-CG2 4.37Å; V110-F138 CarbonylContact C-O 3.55Å; V110-F138 VanDerWaalsContact CA-O 3.27Å; V110-F138 WeakPolarHBondContact CA-O 3.28Å; V110-F138 HydrophobicContact CG2-CB 4.33Å; V110-F267 HydrophobicContact CB-CZ 4.43Å; V110-F267 HydrophobicContact CG1-CE1 4.41Å; V110-F267 HydrophobicContact CG1-CE2 4.39Å; V110-F267 HydrophobicContact CG1-CZ 3.71Å; V110-F267 HydrophobicContact CG2-CZ 3.78Å; V110-F271 HydrophobicContact CG2-CD2 4.14Å; V110-F271 HydrophobicContact CG2-CE2 3.63Å; V110-F271 HydrophobicContact CG2-CZ 4.15Å
111M96.3Very high93.8Very high0 Ų015.4 Ų15.40%09%0.094CC..EExtended strand (participates in β ladder)trans-89116.2177.6-177.4167.560.800110.3I19 I113 T123 F127 I137 F138 T139 F140 L158 L162I19-M111 HydrophobicContact CD1-CB 4.14Å; I19-M111 HydrophobicContact CD1-CG 4.43Å; I19-M111 HydrophobicContact CG1-CB 3.9Å; I19-M111 HydrophobicContact CG1-CG 4.2Å; I19-M111 WeakPolarHBondContact O-CA 3.37Å; M111-I113 HydrophobicContact CE-CD1 3.92Å; M111-I113 HydrophobicContact CG-CD1 4.24Å; M111-I113 HydrophobicContact CG-CG1 4.19Å; M111-I113 HydrophobicContact SD-CD1 4.3Å; M111-T123 HydrophobicContact CG-CG2 3.77Å; M111-T123 HydrophobicContact SD-CG2 3.47Å; M111-T123 WeakPolarHBondContact SD-CG2 3.18Å; M111-F127 HydrophobicContact CE-CD2 4.37Å; M111-F127 HydrophobicContact SD-CB 4.43Å; M111-F127 HydrophobicContact SD-CD2 4.13Å; M111-I137 HydrophobicContact CB-CG2 3.95Å; M111-I137 HydrophobicContact CE-CG2 4.38Å; M111-F138 PolarHBondContact N-O 2.94Å; M111-T139 HydrophobicContact CE-CG2 4.03Å; M111-T139 WeakPolarHBondContact CE-OG1 3.24Å; M111-T139 CarbonylContact O-C 3.5Å; M111-T139 WeakPolarHBondContact O-CA 3.41Å; M111-F140 PolarHBondContact O-N 2.79Å; M111-L158 HydrophobicContact CE-CD2 3.54Å; M111-L162 HydrophobicContact CE-CD1 3.79Å; M111-L162 HydrophobicContact SD-CD1 4.02Å
112V96.5Very high93.7Very high0 Ų015.7 Ų15.70%010%0.095CC..EExtended strand (participates in β ladder)trans-101.4124.6178.9-177.40000109.7I18 I19 S20 A24 I29 V110 F140 N142I18-V112 HydrophobicContact CG2-CG2 3.54Å; I19-V112 PolarHBondContact O-N 2.9Å; S20-V112 VanDerWaalsContact CB-O 3.3Å; S20-V112 WeakPolarHBondContact CB-O 3.46Å; A24-V112 HydrophobicContact CB-CG1 4.38Å; I29-V112 HydrophobicContact CD1-CG2 4.49Å; I29-V112 HydrophobicContact CG2-CG2 3.86Å; V110-V112 HydrophobicContact CG1-CG2 4.37Å; V112-F140 WeakPolarHBondContact CA-O 3.34Å; V112-N142 HydrophobicContact CG1-CB 3.97Å
113I97.4Very high93.8Very high3 Ų315.7 Ų15.72%0.01510%0.095CC..EExtended strand (participates in β ladder)trans-119.9143.2-178.3-69164000109.3M111 I119 T123 T139 F140 I141 N142 L158M111-I113 HydrophobicContact CE-CD1 3.92Å; M111-I113 HydrophobicContact CG-CD1 4.24Å; M111-I113 HydrophobicContact CG-CG1 4.19Å; M111-I113 HydrophobicContact SD-CD1 4.3Å; I113-I119 HydrophobicContact CD1-CD1 3.31Å; I113-I119 HydrophobicContact CG1-CD1 3.97Å; I113-T123 HydrophobicContact CG1-CG2 4.32Å; I113-T139 HydrophobicContact CD1-CG2 3.74Å; I113-F140 PolarHBondContact N-O 3.24Å; I113-I141 HydrophobicContact CB-CD1 3.8Å; I113-I141 HydrophobicContact CD1-CD1 3.94Å; I113-I141 HydrophobicContact CG1-CD1 4.48Å; I113-I141 HydrophobicContact CG2-CD1 3.93Å; I113-N142 WeakPolarHBondContact O-CB 3.5Å; I113-N142 PolarHBondContact O-N 3.39Å; I113-L158 HydrophobicContact CD1-CD2 3.71Å; I113-L158 HydrophobicContact CD1-CG 4.46Å
114D97.2Very high93.9Very high9 Ų919.3 Ų19.35%0.04811%0.111CC..EExtended strand (participates in β ladder)trans-82.4119.1170.9-176-25000109.2A116 K117 G118 K143D114-A116 PolarHBondContact O-N 2.68Å; D114-A116 VanDerWaalsContact O-N 3.1Å; D114-A116 WeakPolarHBondContact OD1-CB 3.27Å; D114-A116 PolarHBondContact OD1-N 2.82Å; D114-K117 HydrophobicContact CB-CB 4.16Å; D114-K117 HydrophobicContact CB-CD 4.36Å; D114-K117 HydrophobicContact CB-CG 4.2Å; D114-K117 PolarHBondContact O-N 3.27Å; D114-G118 PolarHBondContact O-N 2.67Å; D114-K143 WeakPolarHBondContact OD2-CE 3.28Å; D114-K143 IonicContact OD2-NZ 2.79Å; D114-K143 PolarHBondContact OD2-NZ 2.79Å
115S97.5Very high93.7Very high4 Ų421.8 Ų21.83%0.02812%0.121CC..THydrogen-bonded Turntrans-54.8-29.1-179.662.90000113.7N142 K143 R149S115-N142 VanDerWaalsContact CB-O 3.27Å; S115-N142 WeakPolarHBondContact CB-O 3.46Å; S115-N142 PolarHBondContact N-O 2.83Å; S115-N142 PolarHBondContact OG-O 2.96Å; S115-K143 PolarHBondContact OG-O 3.49Å; S115-R149 WeakPolarHBondContact O-CB 3.38Å; S115-R149 PolarHBondContact O-N 2.81Å
116A97Very high93.4Very high51 Ų5121.8 Ų21.842%0.42112%0.121SC..THydrogen-bonded Turntrans-81.1-21.8-179.700000113.3D114D114-A116 PolarHBondContact O-N 2.68Å; D114-A116 VanDerWaalsContact O-N 3.1Å; D114-A116 WeakPolarHBondContact OD1-CB 3.27Å; D114-A116 PolarHBondContact OD1-N 2.82Å
117K96.4Very high93.2Very high88 Ų8821.7 Ų21.738%0.38312%0.12SC..THydrogen-bonded Turntrans-110.5-31.9-173.6-58.6-172.1-177.9177.60113.7D114 E120D114-K117 HydrophobicContact CB-CB 4.16Å; D114-K117 HydrophobicContact CB-CD 4.36Å; D114-K117 HydrophobicContact CB-CG 4.2Å; D114-K117 PolarHBondContact O-N 3.27Å; K117-E120 HydrophobicContact CB-CG 4.26Å; K117-E120 HydrophobicContact CD-CG 4.28Å; K117-E120 WeakPolarHBondContact CD-OE1 3.09Å; K117-E120 WeakPolarHBondContact CD-OE2 3.15Å; K117-E120 IonicContact NZ-OE1 2.85Å; K117-E120 PolarHBondContact NZ-OE1 3.07Å; K117-E120 IonicContact NZ-OE2 3.86Å
118G95.9Very high92.7Very high1 Ų125.8 Ų25.81%0.0114%0.139CC..BIsolated β-bridgetrans70.5-144.8-172.400000112.9D114 E120 E157D114-G118 PolarHBondContact O-N 2.67Å; G118-E120 PolarHBondContact O-N 2.76Å; G118-E157 WeakPolarHBondContact CA-OE2 3.43Å
119I95.3Very high92.1Very high21 Ų2127.3 Ų27.311%0.10815%0.148CC..SBendtrans-75.1111.5-175.7-59.2-57.1000112.3I113 T123 K124 E157 L158 L161 L162I113-I119 HydrophobicContact CD1-CD1 3.31Å; I113-I119 HydrophobicContact CG1-CD1 3.97Å; I119-T123 HydrophobicContact CD1-CG2 4.25Å; I119-K124 HydrophobicContact CG2-CB 4.29Å; I119-E157 HydrophobicContact CB-CG 4.28Å; I119-E157 HydrophobicContact CG1-CG 4Å; I119-E157 PolarHBondContact N-OE2 3.31Å; I119-L158 HydrophobicContact CD1-CD2 3.77Å; I119-L158 HydrophobicContact CD1-CG 4.47Å; I119-L158 HydrophobicContact CG1-CD2 4.5Å; I119-L161 HydrophobicContact CB-CD1 4.05Å; I119-L161 HydrophobicContact CG2-CD1 4.28Å; I119-L162 HydrophobicContact CD1-CD1 3.93Å; I119-L162 HydrophobicContact CG1-CD1 4.47Å; I119-L162 HydrophobicContact CG2-CD2 4.09Å
120E93.2Very high91.7Very high35 Ų3527.3 Ų27.316%0.16415%0.148CC..  trans-96.6163.1174.7-65178.5104.600112.5H21 K117 G118 Q122 T123 K124H21-E120 HydrophobicContact CB-CB 3.74Å; H21-E120 HydrophobicContact CB-CG 4.36Å; H21-E120 VanDerWaalsContact CB-OE2 3.29Å; H21-E120 WeakPolarHBondContact CB-OE2 3.5Å; H21-E120 IonicContact CD2-OE1 3.93Å; H21-E120 PolarHBondContact CD2-OE1 3.41Å; H21-E120 IonicContact CD2-OE2 3.51Å; H21-E120 PolarHBondContact CD2-OE2 3.03Å; H21-E120 VanDerWaalsContact CG-CB 3.45Å; H21-E120 VanDerWaalsContact CG-CD 3.5Å; H21-E120 IonicContact CG-OE1 3.53Å; H21-E120 IonicContact CG-OE2 3.88Å; H21-E120 IonicContact NE2-OE1 2.79Å; H21-E120 PolarHBondContact NE2-OE1 2.93Å; K117-E120 HydrophobicContact CB-CG 4.26Å; K117-E120 HydrophobicContact CD-CG 4.28Å; K117-E120 WeakPolarHBondContact CD-OE1 3.09Å; K117-E120 WeakPolarHBondContact CD-OE2 3.15Å; K117-E120 IonicContact NZ-OE1 2.85Å; K117-E120 PolarHBondContact NZ-OE1 3.07Å; K117-E120 IonicContact NZ-OE2 3.86Å; G118-E120 PolarHBondContact O-N 2.76Å; E120-Q122 VanDerWaalsContact C-N 3.35Å; E120-Q122 PolarHBondContact O-N 2.96Å; E120-T123 WeakPolarHBondContact O-CB 3.34Å; E120-T123 PolarHBondContact O-N 2.97Å; E120-T123 VanDerWaalsContact O-N 3.08Å; E120-K124 PolarHBondContact O-N 3.06Å
121A87.7Confident91.3Very high71 Ų7130.2 Ų30.259%0.58716%0.161SC*.Hα-helixtrans-55.1-41.8-17200000114.5K124 K125A121-K124 PolarHBondContact O-N 3.46Å; A121-K125 WeakPolarHBondContact O-CG 3.41Å; A121-K125 PolarHBondContact O-N 2.86Å; A121-K125 VanDerWaalsContact O-N 3.11Å
122Q83.4Confident90.7Very high9 Ų940.3 Ų40.34%0.04220%0.199CC..Hα-helixtrans-70.6-38.8179.2-172.562.511.700111.9H21 E120 K124 K125 L126H21-Q122 HydrophobicContact CB-CB 4.47Å; H21-Q122 VanDerWaalsContact ND1-CB 3.31Å; H21-Q122 WeakPolarHBondContact ND1-CB 3.41Å; E120-Q122 VanDerWaalsContact C-N 3.35Å; E120-Q122 PolarHBondContact O-N 2.96Å; Q122-K124 VanDerWaalsContact C-N 3.3Å; Q122-K124 PolarHBondContact O-N 2.7Å; Q122-K125 PolarHBondContact O-N 3.05Å; Q122-L126 HydrophobicContact CG-CD1 4.18Å; Q122-L126 HydrophobicContact CG-CG 4.4Å; Q122-L126 WeakPolarHBondContact O-CG 3.46Å; Q122-L126 PolarHBondContact O-N 3.39Å
123T88.5Confident89.9Confident1 Ų145.1 Ų45.11%0.00622%0.217CC..Hα-helixtrans-57.4-46.7174.2-54.70000110H21 M111 I113 I119 E120 K125 L126 F127H21-T123 PolarHBondContact N-OG1 3.13Å; H21-T123 VanDerWaalsContact N-OG1 3.12Å; M111-T123 HydrophobicContact CG-CG2 3.77Å; M111-T123 HydrophobicContact SD-CG2 3.47Å; M111-T123 WeakPolarHBondContact SD-CG2 3.18Å; I113-T123 HydrophobicContact CG1-CG2 4.32Å; I119-T123 HydrophobicContact CD1-CG2 4.25Å; E120-T123 WeakPolarHBondContact O-CB 3.34Å; E120-T123 PolarHBondContact O-N 2.97Å; E120-T123 VanDerWaalsContact O-N 3.08Å; T123-K125 PolarHBondContact O-N 2.96Å; T123-L126 PolarHBondContact O-N 3.09Å; T123-F127 VanDerWaalsContact O-CB 3.25Å; T123-F127 WeakPolarHBondContact O-CB 3.03Å; T123-F127 PolarHBondContact O-N 3.45Å
124K89.6Confident89.4Confident77 Ų7746.7 Ų46.734%0.33523%0.234SC..Hα-helixtrans-59.7-45.2176.8-172.3169.6-172.91610113I119 E120 A121 Q122 Q128 L162I119-K124 HydrophobicContact CG2-CB 4.29Å; E120-K124 PolarHBondContact O-N 3.06Å; A121-K124 PolarHBondContact O-N 3.46Å; Q122-K124 VanDerWaalsContact C-N 3.3Å; Q122-K124 PolarHBondContact O-N 2.7Å; K124-Q128 VanDerWaalsContact O-CG 3.31Å; K124-Q128 WeakPolarHBondContact O-CG 3.47Å; K124-Q128 PolarHBondContact O-N 3.32Å; K124-L162 HydrophobicContact CB-CD2 4.38Å; K124-L162 HydrophobicContact CG-CD2 4.15Å
125K83.7Confident89.2Confident83 Ų8346.9 Ų46.936%0.36124%0.235SC..Hα-helixtrans-60.4-47.5177.3-72.4176.7-175.7177.30111.8E93 A121 Q122 T123 Q128 V129E93-K125 IonicContact OE2-NZ 3.58Å; E93-K125 PolarHBondContact OE2-NZ 2.92Å; A121-K125 WeakPolarHBondContact O-CG 3.41Å; A121-K125 PolarHBondContact O-N 2.86Å; A121-K125 VanDerWaalsContact O-N 3.11Å; Q122-K125 PolarHBondContact O-N 3.05Å; T123-K125 PolarHBondContact O-N 2.96Å; K125-Q128 PolarHBondContact O-N 3.09Å; K125-V129 PolarHBondContact O-N 3.41Å
126L86.6Confident89.1Confident0 Ų047 Ų470%024%0.236CC..Hα-helixtrans-66.4-44.3-179.6-66.4179.2000111.6I19 T99 Y100 Q122 T123 Q128 V129 V130I19-L126 HydrophobicContact CB-CB 4.11Å; I19-L126 HydrophobicContact CB-CD1 3.89Å; I19-L126 HydrophobicContact CD1-CB 4.39Å; I19-L126 HydrophobicContact CG2-CB 4.34Å; I19-L126 HydrophobicContact CG2-CD1 4.28Å; T99-L126 HydrophobicContact CG2-CD1 4.44Å; T99-L126 HydrophobicContact CG2-CD2 3.36Å; Y100-L126 HydrophobicContact CE1-CD2 3.99Å; Q122-L126 HydrophobicContact CG-CD1 4.18Å; Q122-L126 HydrophobicContact CG-CG 4.4Å; Q122-L126 WeakPolarHBondContact O-CG 3.46Å; Q122-L126 PolarHBondContact O-N 3.39Å; T123-L126 PolarHBondContact O-N 3.09Å; L126-Q128 VanDerWaalsContact C-N 3.31Å; L126-Q128 PolarHBondContact O-N 3.23Å; L126-V129 PolarHBondContact O-N 2.77Å; L126-V129 VanDerWaalsContact O-N 3.14Å; L126-V130 WeakPolarHBondContact O-CG2 3.46Å; L126-V130 PolarHBondContact O-N 3.36Å; L126-V130 VanDerWaalsContact O-N 3.1Å
127F89.9Confident89.1Confident3 Ų344.6 Ų44.61%0.01322%0.216CC..Hα-helixtrans-55-46.1175.2173.7-87.3000111.8M111 T123 V129 V130 K131 I137 L162 I164M111-F127 HydrophobicContact CE-CD2 4.37Å; M111-F127 HydrophobicContact SD-CB 4.43Å; M111-F127 HydrophobicContact SD-CD2 4.13Å; T123-F127 VanDerWaalsContact O-CB 3.25Å; T123-F127 WeakPolarHBondContact O-CB 3.03Å; T123-F127 PolarHBondContact O-N 3.45Å; F127-V129 PolarHBondContact O-N 3.34Å; F127-V130 PolarHBondContact O-N 2.7Å; F127-V130 VanDerWaalsContact O-N 3.13Å; F127-K131 HydrophobicContact CD1-CB 4.44Å; F127-K131 HydrophobicContact CE1-CB 3.92Å; F127-K131 HydrophobicContact CE1-CD 3.47Å; F127-K131 VanDerWaalsContact CE1-CD 3.47Å; F127-K131 HydrophobicContact CE1-CG 4.32Å; F127-K131 HydrophobicContact CZ-CB 4.11Å; F127-K131 HydrophobicContact CZ-CD 3.64Å; F127-K131 HydrophobicContact CZ-CG 4.41Å; F127-K131 WeakPolarHBondContact O-CB 3.45Å; F127-K131 PolarHBondContact O-N 3.05Å; F127-I137 HydrophobicContact CD2-CD1 3.49Å; F127-I137 VanDerWaalsContact CD2-CD1 3.49Å; F127-I137 HydrophobicContact CE2-CD1 3.4Å; F127-I137 VanDerWaalsContact CE2-CD1 3.4Å; F127-I137 HydrophobicContact CG-CD1 4.5Å; F127-I137 HydrophobicContact CZ-CD1 4.32Å; F127-L162 HydrophobicContact CB-CD1 4.47Å; F127-L162 HydrophobicContact CB-CD2 4.25Å; F127-L162 HydrophobicContact CD1-CB 3.86Å; F127-L162 HydrophobicContact CD1-CD1 4.31Å; F127-L162 HydrophobicContact CD1-CD2 3.79Å; F127-L162 HydrophobicContact CD1-CG 4.21Å; F127-L162 HydrophobicContact CD2-CB 4.35Å; F127-L162 HydrophobicContact CD2-CD1 3.72Å; F127-L162 HydrophobicContact CD2-CG 4.46Å; F127-L162 HydrophobicContact CE1-CB 3.54Å; F127-L162 HydrophobicContact CE1-CD2 4.35Å; F127-L162 HydrophobicContact CE1-CG 4.37Å; F127-L162 WeakPolarHBondContact CE1-O 3.47Å; F127-L162 HydrophobicContact CE2-CB 4.01Å; F127-L162 HydrophobicContact CE2-CD1 3.97Å; F127-L162 HydrophobicContact CG-CB 4.28Å; F127-L162 HydrophobicContact CG-CD1 3.89Å; F127-L162 HydrophobicContact CG-CD2 3.95Å; F127-L162 HydrophobicContact CG-CG 4.28Å; F127-L162 HydrophobicContact CZ-CB 3.61Å; F127-L162 HydrophobicContact CZ-CD1 4.42Å; F127-L162 WeakPolarHBondContact CZ-O 3.49Å; F127-I164 HydrophobicContact CE2-CB 4.34Å; F127-I164 HydrophobicContact CE2-CD1 3.81Å; F127-I164 HydrophobicContact CE2-CG2 4.06Å; F127-I164 HydrophobicContact CZ-CB 3.95Å; F127-I164 HydrophobicContact CZ-CD1 4.05Å; F127-I164 HydrophobicContact CZ-CG2 3.98Å
128Q85.7Confident89.2Confident86 Ų8640.4 Ų40.440%0.40220%0.197SC..Hα-helixtrans-58.5-35.9179.7-76.9176.2-8.100112.7K124 K125 L126 R132K124-Q128 VanDerWaalsContact O-CG 3.31Å; K124-Q128 WeakPolarHBondContact O-CG 3.47Å; K124-Q128 PolarHBondContact O-N 3.32Å; K125-Q128 PolarHBondContact O-N 3.09Å; L126-Q128 VanDerWaalsContact C-N 3.31Å; L126-Q128 PolarHBondContact O-N 3.23Å; Q128-R132 VanDerWaalsContact O-CB 3.32Å; Q128-R132 WeakPolarHBondContact O-CB 3.44Å; Q128-R132 WeakPolarHBondContact O-CG 3.25Å; Q128-R132 PolarHBondContact O-N 3.33Å
129V82.6Confident89.3Confident32 Ų3240.4 Ų40.419%0.19420%0.197CC..Hα-helixtrans-73.2-41177.21750000111.8Y100 L103 K125 L126 F127 R132 R133Y100-V129 HydrophobicContact CD1-CB 3.73Å; Y100-V129 HydrophobicContact CD1-CG1 3.5Å; Y100-V129 HydrophobicContact CD1-CG2 3.67Å; Y100-V129 HydrophobicContact CE1-CB 3.55Å; Y100-V129 HydrophobicContact CE1-CG1 3.89Å; Y100-V129 HydrophobicContact CE1-CG2 3.12Å; Y100-V129 HydrophobicContact CG-CG1 4.31Å; L103-V129 HydrophobicContact CD1-CG1 4.44Å; K125-V129 PolarHBondContact O-N 3.41Å; L126-V129 PolarHBondContact O-N 2.77Å; L126-V129 VanDerWaalsContact O-N 3.14Å; F127-V129 PolarHBondContact O-N 3.34Å; V129-R132 PolarHBondContact O-N 2.93Å; V129-R133 WeakPolarHBondContact O-CG 3.32Å; V129-R133 PolarHBondContact O-N 3.31Å
130V88.7Confident89.4Confident0 Ų039.4 Ų39.40%019%0.192CC..Hα-helixtrans-62.9-48.2177.8-179.20000110.3I19 L103 A109 L126 F127 R133 G134 I135 I137I19-V130 HydrophobicContact CD1-CG2 3.81Å; L103-V130 HydrophobicContact CD1-CG2 3.81Å; L103-V130 HydrophobicContact CD2-CG2 3.88Å; L103-V130 HydrophobicContact CG-CG2 4.45Å; A109-V130 HydrophobicContact CB-CG1 3.88Å; A109-V130 HydrophobicContact CB-CG2 4.35Å; L126-V130 WeakPolarHBondContact O-CG2 3.46Å; L126-V130 PolarHBondContact O-N 3.36Å; L126-V130 VanDerWaalsContact O-N 3.1Å; F127-V130 PolarHBondContact O-N 2.7Å; F127-V130 VanDerWaalsContact O-N 3.13Å; V130-R133 PolarHBondContact O-N 3.17Å; V130-R133 VanDerWaalsContact O-N 3.15Å; V130-G134 PolarHBondContact O-N 2.92Å; V130-I135 HydrophobicContact CG1-CB 3.63Å; V130-I135 HydrophobicContact CG1-CG2 3.79Å; V130-I135 PolarHBondContact O-N 3.09Å; V130-I135 VanDerWaalsContact O-N 3.12Å; V130-I137 HydrophobicContact CB-CD1 4.02Å; V130-I137 HydrophobicContact CG1-CD1 3.48Å; V130-I137 VanDerWaalsContact CG1-CD1 3.48Å; V130-I137 HydrophobicContact CG1-CG1 3.49Å; V130-I137 VanDerWaalsContact CG1-CG1 3.49Å
131K87.6Confident89.7Confident61 Ų6137.7 Ų37.727%0.26518%0.184SC..Hα-helixtrans-61.9-44.8176.7-179.2169.1174.1177.50112.5F127 R133 G134 L162 D163F127-K131 HydrophobicContact CD1-CB 4.44Å; F127-K131 HydrophobicContact CE1-CB 3.92Å; F127-K131 HydrophobicContact CE1-CD 3.47Å; F127-K131 VanDerWaalsContact CE1-CD 3.47Å; F127-K131 HydrophobicContact CE1-CG 4.32Å; F127-K131 HydrophobicContact CZ-CB 4.11Å; F127-K131 HydrophobicContact CZ-CD 3.64Å; F127-K131 HydrophobicContact CZ-CG 4.41Å; F127-K131 WeakPolarHBondContact O-CB 3.45Å; F127-K131 PolarHBondContact O-N 3.05Å; K131-R133 PolarHBondContact O-N 3.47Å; K131-R133 VanDerWaalsContact O-N 3.15Å; K131-G134 PolarHBondContact O-N 3.17Å; K131-L162 PolarHBondContact NZ-O 2.86Å; K131-L162 VanDerWaalsContact NZ-O 3.14Å; K131-D163 PolarHBondContact NZ-O 3.26Å; K131-D163 IonicContact NZ-OD2 3.55Å; K131-D163 PolarHBondContact NZ-OD2 2.63Å
132R83.7Confident90.2Very high212 Ų21234.5 Ų34.580%0.816%0.157SC*.Hα-helixtrans-59.8-26.4176.4-80.1176.3-174.3-167.34.5113.3Q128 V129Q128-R132 VanDerWaalsContact O-CB 3.32Å; Q128-R132 WeakPolarHBondContact O-CB 3.44Å; Q128-R132 WeakPolarHBondContact O-CG 3.25Å; Q128-R132 PolarHBondContact O-N 3.33Å; V129-R132 PolarHBondContact O-N 2.93Å
133R80.9Confident90.9Very high101 Ų10135.6 Ų35.638%0.38116%0.162SC..THydrogen-bonded Turntrans-90.9-4.4177.3-69.4-67.9-173.8170.22.5113.3M104 V129 V130 K131 I135M104-R133 HydrophobicContact SD-CG 4.35Å; M104-R133 PolarHBondContact SD-NE 2.92Å; M104-R133 VanDerWaalsContact SD-NE 3.4Å; V129-R133 WeakPolarHBondContact O-CG 3.32Å; V129-R133 PolarHBondContact O-N 3.31Å; V130-R133 PolarHBondContact O-N 3.17Å; V130-R133 VanDerWaalsContact O-N 3.15Å; K131-R133 PolarHBondContact O-N 3.47Å; K131-R133 VanDerWaalsContact O-N 3.15Å; R133-I135 HydrophobicContact CB-CD1 3.79Å; R133-I135 HydrophobicContact CB-CG1 3.82Å; R133-I135 PolarHBondContact O-N 2.86Å
134G86.8Confident91.2Very high35 Ų3535.9 Ų35.936%0.36116%0.163SC..THydrogen-bonded Turntrans65.527.5-176.300000112.9V130 K131 P136V130-G134 PolarHBondContact O-N 2.92Å; K131-G134 PolarHBondContact O-N 3.17Å; G134-P136 WeakPolarHBondContact O-CD 3.37Å
135I92.1Very high91.5Very high14 Ų1433.7 Ų33.77%0.07216%0.155CC..  trans-79.4125.1178.8-64.6168.5000108.2L103 A109 V130 R133 I137L103-I135 VanDerWaalsContact O-CD1 3.28Å; L103-I135 WeakPolarHBondContact O-CD1 3.34Å; A109-I135 HydrophobicContact CB-CG2 4.35Å; V130-I135 HydrophobicContact CG1-CB 3.63Å; V130-I135 HydrophobicContact CG1-CG2 3.79Å; V130-I135 PolarHBondContact O-N 3.09Å; V130-I135 VanDerWaalsContact O-N 3.12Å; R133-I135 HydrophobicContact CB-CD1 3.79Å; R133-I135 HydrophobicContact CB-CG1 3.82Å; R133-I135 PolarHBondContact O-N 2.86Å; I135-I137 VanDerWaalsContact O-CG1 3.32Å; I135-I137 WeakPolarHBondContact O-CG1 2.96Å
136P96.1Very high92Very high7 Ų736.4 Ų36.45%0.04516%0.163CC..  trans-55.1138.3174.6-32.140.1000113.6D107 S108 A109 G134 F138 I245 Q246 P276D107-P136 WeakPolarHBondContact O-CD 2.79Å; S108-P136 CarbonylContact C-O 3.51Å; S108-P136 WeakPolarHBondContact CA-O 3.34Å; S108-P136 WeakPolarHBondContact CB-O 3.49Å; A109-P136 PolarHBondContact N-O 3.17Å; G134-P136 WeakPolarHBondContact O-CD 3.37Å; P136-F138 HydrophobicContact CB-CE2 4.5Å; P136-I245 VanDerWaalsContact CB-O 3.29Å; P136-I245 WeakPolarHBondContact CB-O 3.28Å; P136-Q246 WeakPolarHBondContact CG-O 3.49Å; P136-P276 HydrophobicContact CB-CG 4.4Å; P136-P276 HydrophobicContact CG-CG 4.09Å
137I96.5Very high92.5Very high0 Ų042 Ų420%019%0.193CC..EExtended strand (participates in β ladder)trans-122127-174-51-176.7000110.7A109 M111 F127 V130 I135 T251 P252A109-I137 WeakPolarHBondContact O-CA 3.27Å; M111-I137 HydrophobicContact CB-CG2 3.95Å; M111-I137 HydrophobicContact CE-CG2 4.38Å; F127-I137 HydrophobicContact CD2-CD1 3.49Å; F127-I137 VanDerWaalsContact CD2-CD1 3.49Å; F127-I137 HydrophobicContact CE2-CD1 3.4Å; F127-I137 VanDerWaalsContact CE2-CD1 3.4Å; F127-I137 HydrophobicContact CG-CD1 4.5Å; F127-I137 HydrophobicContact CZ-CD1 4.32Å; V130-I137 HydrophobicContact CB-CD1 4.02Å; V130-I137 HydrophobicContact CG1-CD1 3.48Å; V130-I137 VanDerWaalsContact CG1-CD1 3.48Å; V130-I137 HydrophobicContact CG1-CG1 3.49Å; V130-I137 VanDerWaalsContact CG1-CG1 3.49Å; I135-I137 VanDerWaalsContact O-CG1 3.32Å; I135-I137 WeakPolarHBondContact O-CG1 2.96Å; I137-T251 WeakPolarHBondContact O-CA 3.16Å; I137-T251 WeakPolarHBondContact O-CB 3.09Å; I137-T251 PolarHBondContact O-OG1 2.85Å; I137-P252 VanDerWaalsContact O-CD 3.27Å; I137-P252 WeakPolarHBondContact O-CD 2.83Å
138F98.1Very high92.8Very high0 Ų043.1 Ų43.10%021%0.205CC..EExtended strand (participates in β ladder)trans-109.4130.7170.9-65.2-99.9000108.8A109 V110 M111 P136 I245 P252 F254 F267 F271 L274 A275A109-F138 PolarHBondContact O-N 2.78Å; V110-F138 CarbonylContact C-O 3.55Å; V110-F138 VanDerWaalsContact CA-O 3.27Å; V110-F138 WeakPolarHBondContact CA-O 3.28Å; V110-F138 HydrophobicContact CG2-CB 4.33Å; M111-F138 PolarHBondContact N-O 2.94Å; P136-F138 HydrophobicContact CB-CE2 4.5Å; F138-I245 HydrophobicContact CZ-CG2 4.18Å; F138-P252 HydrophobicContact CD1-CB 4.01Å; F138-P252 HydrophobicContact CD1-CG 3.87Å; F138-P252 HydrophobicContact CE1-CB 4.34Å; F138-P252 HydrophobicContact CE1-CG 3.86Å; F138-F254 HydrophobicContact CD1-CE2 4.21Å; F138-F267 HydrophobicContact CB-CE2 4.3Å; F138-F271 HydrophobicContact CB-CD2 4.16Å; F138-F271 HydrophobicContact CB-CE2 4.39Å; F138-F271 AromaticContact CD1-CD2 3.85Å; F138-F271 HydrophobicContact CD1-CD2 3.85Å; F138-F271 HydrophobicContact CD1-CE2 4.47Å; F138-F271 AromaticContact CD2-CD2 3.83Å; F138-F271 HydrophobicContact CD2-CD2 3.83Å; F138-F271 AromaticContact CD2-CE2 3.61Å; F138-F271 HydrophobicContact CD2-CE2 3.61Å; F138-F271 HydrophobicContact CE1-CD2 4.19Å; F138-F271 HydrophobicContact CE2-CD2 4.19Å; F138-F271 AromaticContact CE2-CE2 3.97Å; F138-F271 HydrophobicContact CE2-CE2 3.97Å; F138-F271 AromaticContact CG-CD2 3.66Å; F138-F271 HydrophobicContact CG-CD2 3.66Å; F138-F271 AromaticContact CG-CE2 3.9Å; F138-F271 HydrophobicContact CG-CE2 3.9Å; F138-F271 HydrophobicContact CZ-CD2 4.37Å; F138-L274 HydrophobicContact CE1-CB 3.8Å; F138-L274 HydrophobicContact CE1-CD1 4.46Å; F138-L274 HydrophobicContact CZ-CB 3.97Å; F138-A275 HydrophobicContact CE2-CB 4.11Å; F138-A275 HydrophobicContact CZ-CB 4.11Å
139T98.3Very high93.3Very high0 Ų042.5 Ų42.50%020%0.199CC..EExtended strand (participates in β ladder)trans-106.3128.2-175.1-62.50000110.8M111 I113 I141 L158 T251 P252 V253 F254M111-T139 HydrophobicContact CE-CG2 4.03Å; M111-T139 WeakPolarHBondContact CE-OG1 3.24Å; M111-T139 CarbonylContact O-C 3.5Å; M111-T139 WeakPolarHBondContact O-CA 3.41Å; I113-T139 HydrophobicContact CD1-CG2 3.74Å; T139-I141 HydrophobicContact CG2-CD1 3.86Å; T139-L158 HydrophobicContact CG2-CD1 4.09Å; T139-L158 HydrophobicContact CG2-CD2 4.32Å; T139-T251 PolarHBondContact N-OG1 2.8Å; T139-T251 PolarHBondContact OG1-OG1 3.34Å; T139-P252 PolarHBondContact N-O 2.87Å; T139-V253 HydrophobicContact CG2-CG1 4.32Å; T139-V253 CarbonylContact O-C 3.58Å; T139-V253 WeakPolarHBondContact O-CA 2.98Å; T139-F254 PolarHBondContact O-N 2.89Å
140F98.4Very high93.9Very high0 Ų046 Ų460%021%0.213CC..EExtended strand (participates in β ladder)trans-117.8105.4174.3-171-86.4000110.1I29 M111 V112 I113 N142 F254 V264 F267I29-F140 HydrophobicContact CD1-CB 4.22Å; I29-F140 HydrophobicContact CD1-CD1 3.58Å; I29-F140 HydrophobicContact CD1-CD2 3.99Å; I29-F140 HydrophobicContact CD1-CE1 3.85Å; I29-F140 HydrophobicContact CD1-CE2 4.23Å; I29-F140 HydrophobicContact CD1-CG 3.65Å; I29-F140 HydrophobicContact CD1-CZ 4.16Å; M111-F140 PolarHBondContact O-N 2.79Å; V112-F140 WeakPolarHBondContact CA-O 3.34Å; I113-F140 PolarHBondContact N-O 3.24Å; F140-N142 HydrophobicContact CD1-CB 3.89Å; F140-N142 HydrophobicContact CE1-CB 3.88Å; F140-N142 PolarHBondContact O-N 3.45Å; F140-F254 CarbonylContact C-O 3.57Å; F140-F254 WeakPolarHBondContact CA-O 3.31Å; F140-F254 HydrophobicContact CD2-CB 3.98Å; F140-V264 HydrophobicContact CZ-CG2 4.11Å; F140-F267 HydrophobicContact CD2-CB 4.02Å; F140-F267 HydrophobicContact CD2-CD1 4.34Å; F140-F267 HydrophobicContact CD2-CD2 4.06Å; F140-F267 AromaticContact CD2-CG 3.85Å; F140-F267 HydrophobicContact CD2-CG 3.85Å; F140-F267 HydrophobicContact CE2-CB 3.98Å; F140-F267 HydrophobicContact CE2-CG 4.26Å
141I98.5Very high94.3Very high0 Ų046.4 Ų46.40%022%0.216CC..EExtended strand (participates in β ladder)trans-76.1104.7170.5-52.2-54.4000108.3I113 T139 L154 V253 F254 F255 G256I113-I141 HydrophobicContact CB-CD1 3.8Å; I113-I141 HydrophobicContact CD1-CD1 3.94Å; I113-I141 HydrophobicContact CG1-CD1 4.48Å; I113-I141 HydrophobicContact CG2-CD1 3.93Å; T139-I141 HydrophobicContact CG2-CD1 3.86Å; I141-L154 HydrophobicContact CG2-CD1 3.76Å; I141-V253 HydrophobicContact CD1-CG1 4.47Å; I141-V253 HydrophobicContact CG1-CG1 3.84Å; I141-F254 PolarHBondContact N-O 3.23Å; I141-F255 HydrophobicContact CB-CD1 3.52Å; I141-F255 HydrophobicContact CB-CE1 3.85Å; I141-F255 HydrophobicContact CB-CG 4.13Å; I141-F255 HydrophobicContact CG1-CD1 3.88Å; I141-F255 HydrophobicContact CG1-CE1 3.7Å; I141-F255 HydrophobicContact CG1-CG 4.45Å; I141-F255 HydrophobicContact CG1-CZ 4.13Å; I141-F255 HydrophobicContact CG2-CD1 3.6Å; I141-F255 HydrophobicContact CG2-CE1 3.82Å; I141-F255 WeakPolarHBondContact O-CA 3.17Å; I141-G256 PolarHBondContact O-N 3.38Å
142N98.1Very high94.7Very high4 Ų446.7 Ų46.72%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-93166.9-174.4-166.622.1000111.8A24 V112 I113 S115 F140 G256 A258A24-N142 PolarHBondContact O-ND2 2.92Å; V112-N142 HydrophobicContact CG1-CB 3.97Å; I113-N142 WeakPolarHBondContact O-CB 3.5Å; I113-N142 PolarHBondContact O-N 3.39Å; S115-N142 VanDerWaalsContact CB-O 3.27Å; S115-N142 WeakPolarHBondContact CB-O 3.46Å; S115-N142 PolarHBondContact N-O 2.83Å; S115-N142 PolarHBondContact OG-O 2.96Å; F140-N142 HydrophobicContact CD1-CB 3.89Å; F140-N142 HydrophobicContact CE1-CB 3.88Å; F140-N142 PolarHBondContact O-N 3.45Å; N142-G256 CarbonylContact C-O 3.57Å; N142-G256 WeakPolarHBondContact CA-O 3.37Å; N142-A258 WeakPolarHBondContact OD1-CB 3.41Å; N142-A258 PolarHBondContact OD1-N 3.49Å
143K97.4Very high95.3Very high32 Ų3240.1 Ų40.114%0.13920%0.201CC..  trans71.734.4173.4-47.5-173.6-170.2172.60115D23 A24 D114 S115 D145 R146 G256D23-K143 WeakPolarHBondContact O-CE 3.38Å; D23-K143 PolarHBondContact O-NZ 2.94Å; A24-K143 WeakPolarHBondContact O-CE 3.1Å; D114-K143 WeakPolarHBondContact OD2-CE 3.28Å; D114-K143 IonicContact OD2-NZ 2.79Å; D114-K143 PolarHBondContact OD2-NZ 2.79Å; S115-K143 PolarHBondContact OG-O 3.49Å; K143-D145 WeakPolarHBondContact CA-OD1 3.28Å; K143-D145 PolarHBondContact O-N 2.77Å; K143-R146 PolarHBondContact O-N 3.45Å; K143-G256 PolarHBondContact N-O 2.8Å; K143-G256 VanDerWaalsContact N-O 3.11Å
144L96.7Very high96Very high6 Ų635.5 Ų35.53%0.03118%0.184CC..THydrogen-bonded Turntrans-57.1-18.3168.6-71.5-172000114R146 P172 G176 L179 I182 F255 G256 F262L144-R146 PolarHBondContact O-N 2.98Å; L144-R146 VanDerWaalsContact O-N 3.12Å; L144-P172 HydrophobicContact CD1-CB 3.75Å; L144-P172 HydrophobicContact CD2-CB 3.92Å; L144-P172 HydrophobicContact CD2-CG 4.42Å; L144-P172 HydrophobicContact CG-CB 4.49Å; L144-G176 PolarHBondContact O-N 3.14Å; L144-L179 HydrophobicContact CB-CD1 4.26Å; L144-L179 HydrophobicContact CB-CD2 4Å; L144-L179 HydrophobicContact CD1-CD1 4.17Å; L144-I182 HydrophobicContact CD1-CD1 4.41Å; L144-I182 HydrophobicContact CD1-CG1 4.31Å; L144-F255 HydrophobicContact CD1-CB 3.84Å; L144-F255 HydrophobicContact CD2-CB 4.28Å; L144-F255 HydrophobicContact CD2-CD1 4.34Å; L144-F255 HydrophobicContact CG-CB 4.28Å; L144-G256 WeakPolarHBondContact CG-O 3.41Å; L144-G256 PolarHBondContact N-O 2.67Å; L144-G256 VanDerWaalsContact N-O 3.11Å; L144-F262 HydrophobicContact CD1-CE1 4.44Å
145D95.1Very high96.5Very high31 Ų3134.3 Ų34.317%0.16617%0.169CC..THydrogen-bonded Turntrans-66.5-4.5173.162.4-73.1000113.7K143 S257 T260K143-D145 WeakPolarHBondContact CA-OD1 3.28Å; K143-D145 PolarHBondContact O-N 2.77Å; D145-S257 WeakPolarHBondContact OD1-CB 3.18Å; D145-S257 PolarHBondContact OD1-OG 2.83Å; D145-T260 HydrophobicContact CB-CG2 4.01Å
146R95.2Very high96.6Very high140 Ų14038.6 Ų38.653%0.52819%0.189SC..SBendtrans-125.6157178.5-56.8-177.4-176.4-169.5-4.3110.2K143 L144 G148 G176K143-R146 PolarHBondContact O-N 3.45Å; L144-R146 PolarHBondContact O-N 2.98Å; L144-R146 VanDerWaalsContact O-N 3.12Å; R146-G148 PolarHBondContact O-N 3.43Å; R146-G176 PolarHBondContact O-N 3.48Å
147D95.9Very high96.6Very high119 Ų11939.8 Ų39.864%0.63619%0.194SC*.  trans-63.4131.6170-55.2-32.5000108.4G176D147-G176 WeakPolarHBondContact OD1-CA 3.45Å
148G95.4Very high96.5Very high26 Ų2639.9 Ų39.927%0.26819%0.194SC..  trans-134.8-163.3-175.800000111.7R146 M175R146-G148 PolarHBondContact O-N 3.43Å; G148-M175 PolarHBondContact N-SD 2.73Å; G148-M175 VanDerWaalsContact N-SD 3.38Å
149R97Very high96.3Very high73 Ų7343.4 Ų43.428%0.27521%0.21SC..  trans-80160170.6-67.2173.759.1177.4-6.1110.5S115 D153 L154 E157S115-R149 WeakPolarHBondContact O-CB 3.38Å; S115-R149 PolarHBondContact O-N 2.81Å; R149-D153 PolarHBondContact NH2-O 3.19Å; R149-L154 HydrophobicContact CB-CD1 4.38Å; R149-L154 HydrophobicContact CB-CD2 4.1Å; R149-L154 HydrophobicContact CB-CG 4.03Å; R149-E157 IonicContact CZ-OE1 3.45Å; R149-E157 IonicContact CZ-OE2 3.14Å; R149-E157 IonicContact NH1-OE1 3.56Å; R149-E157 PolarHBondContact NH1-OE1 2.73Å; R149-E157 IonicContact NH1-OE2 3.63Å; R149-E157 PolarHBondContact NH1-OE2 3.33Å; R149-E157 IonicContact NH2-OE1 3.89Å; R149-E157 IonicContact NH2-OE2 3.52Å
150E95.9Very high96.2Very high105 Ų10550.2 Ų50.249%0.49124%0.242SC..  trans-62.3139.4174.6-63.6-56.7152.200110.6L152 D153 L154E150-L152 VanDerWaalsContact C-N 3.3Å; E150-L152 PolarHBondContact O-N 3.06Å; E150-D153 HydrophobicContact CB-CB 4.43Å; E150-D153 WeakPolarHBondContact O-CB 3.4Å; E150-D153 PolarHBondContact O-N 3.24Å; E150-D153 VanDerWaalsContact O-N 3.16Å; E150-L154 PolarHBondContact O-N 2.78Å
151P96.6Very high95.9Very high8 Ų853.5 Ų53.55%0.05226%0.26CS..Hα-helixtrans-57.6-38.6-177.2-27.736.1000113.9L154 L155 W171 P172 F255P151-L154 WeakPolarHBondContact O-CB 3.37Å; P151-L154 PolarHBondContact O-N 3.42Å; P151-L155 PolarHBondContact O-N 3.09Å; P151-L155 VanDerWaalsContact O-N 3.11Å; P151-W171 HydrophobicContact CB-CH2 3.61Å; P151-W171 HydrophobicContact CB-CZ2 3.5Å; P151-W171 HydrophobicContact CB-CZ3 4.17Å; P151-W171 HydrophobicContact CG-CZ2 4.3Å; P151-P172 HydrophobicContact CB-CG 4.12Å; P151-P172 HydrophobicContact CG-CG 3.41Å; P151-P172 VanDerWaalsContact CG-CG 3.41Å; P151-F255 HydrophobicContact CB-CE1 3.82Å; P151-F255 HydrophobicContact CB-CZ 3.8Å; P151-F255 HydrophobicContact CG-CE1 4.44Å
152L95.3Very high95.7Very high67 Ų6753.9 Ų53.935%0.35126%0.261SS..Hα-helixtrans-63.1-43.9176.4-71.5169.6000111.7E150 L154 L155 E156 W171 V233E150-L152 VanDerWaalsContact C-N 3.3Å; E150-L152 PolarHBondContact O-N 3.06Å; L152-L154 PolarHBondContact O-N 2.89Å; L152-L155 PolarHBondContact O-N 3.44Å; L152-L155 VanDerWaalsContact O-N 3.14Å; L152-E156 PolarHBondContact O-N 3.24Å; L152-W171 HydrophobicContact CD2-CH2 3.72Å; L152-W171 HydrophobicContact CD2-CZ2 4.1Å; L152-W171 HydrophobicContact CG-CH2 3.93Å; L152-W171 HydrophobicContact CG-CZ2 3.96Å; L152-V233 HydrophobicContact CD2-CG2 3.84Å
153D96.2Very high95.4Very high74 Ų7459.8 Ų59.840%0.39629%0.293SS..Hα-helixtrans-61.4-30.3176.9-64.2-3.8000112.2R149 E150 E157R149-D153 PolarHBondContact NH2-O 3.19Å; E150-D153 HydrophobicContact CB-CB 4.43Å; E150-D153 WeakPolarHBondContact O-CB 3.4Å; E150-D153 PolarHBondContact O-N 3.24Å; E150-D153 VanDerWaalsContact O-N 3.16Å; D153-E157 VanDerWaalsContact O-CB 3.25Å; D153-E157 WeakPolarHBondContact O-CB 3.34Å; D153-E157 PolarHBondContact O-N 3.08Å
154L96.9Very high95.3Very high4 Ų458.6 Ų58.62%0.02129%0.288CS..Hα-helixtrans-76-36.6177.3-70.4171.1000111.9I141 R149 E150 P151 L152 L158 F255I141-L154 HydrophobicContact CG2-CD1 3.76Å; R149-L154 HydrophobicContact CB-CD1 4.38Å; R149-L154 HydrophobicContact CB-CD2 4.1Å; R149-L154 HydrophobicContact CB-CG 4.03Å; E150-L154 PolarHBondContact O-N 2.78Å; P151-L154 WeakPolarHBondContact O-CB 3.37Å; P151-L154 PolarHBondContact O-N 3.42Å; L152-L154 PolarHBondContact O-N 2.89Å; L154-L158 VanDerWaalsContact O-CG 3.3Å; L154-L158 WeakPolarHBondContact O-CG 3.45Å; L154-L158 PolarHBondContact O-N 2.63Å; L154-L158 VanDerWaalsContact O-N 3.08Å; L154-F255 HydrophobicContact CD1-CE1 4.31Å
155L96.4Very high95.2Very high10 Ų1060.8 Ų60.85%0.05230%0.298CS..Hα-helixtrans-66.3-47.4172.3-67.1-165.2000111.3P151 L152 E157 L158 E159 P168 W171 V253 F255P151-L155 PolarHBondContact O-N 3.09Å; P151-L155 VanDerWaalsContact O-N 3.11Å; L152-L155 PolarHBondContact O-N 3.44Å; L152-L155 VanDerWaalsContact O-N 3.14Å; L155-E157 VanDerWaalsContact C-N 3.31Å; L155-E157 PolarHBondContact O-N 3.26Å; L155-L158 HydrophobicContact CD2-CD1 4.25Å; L155-L158 WeakPolarHBondContact O-CB 3.48Å; L155-L158 PolarHBondContact O-N 3.09Å; L155-L158 VanDerWaalsContact O-N 3.12Å; L155-E159 PolarHBondContact O-N 2.64Å; L155-P168 HydrophobicContact CD1-CG 4.16Å; L155-W171 HydrophobicContact CD1-CH2 4.11Å; L155-W171 HydrophobicContact CD1-CZ3 3.71Å; L155-W171 HydrophobicContact CG-CZ3 4.37Å; L155-V253 HydrophobicContact CD2-CB 3.98Å; L155-V253 HydrophobicContact CD2-CG1 3.79Å; L155-V253 HydrophobicContact CD2-CG2 3.77Å; L155-F255 HydrophobicContact CD2-CZ 4.42Å
156E95.5Very high95.3Very high105 Ų10559.5 Ų59.549%0.49129%0.292SS..Hα-helixtrans-58.9-44.1176.5-175.1176.6-161.500110.8L152 L158 E159 E160L152-E156 PolarHBondContact O-N 3.24Å; E156-L158 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 3.43Å; E156-E159 PolarHBondContact O-N 2.97Å; E156-E160 HydrophobicContact CG-CG 4.26Å; E156-E160 WeakPolarHBondContact O-CB 3.5Å; E156-E160 WeakPolarHBondContact O-CG 3.3Å; E156-E160 PolarHBondContact O-N 3.15Å
157E95.5Very high95.4Very high32 Ų3254.9 Ų54.915%0.1528%0.275CS..Hα-helixtrans-63-37.8176.5-176179.7-118.500113.1G118 I119 R149 D153 L155 L161G118-E157 WeakPolarHBondContact CA-OE2 3.43Å; I119-E157 HydrophobicContact CB-CG 4.28Å; I119-E157 HydrophobicContact CG1-CG 4Å; I119-E157 PolarHBondContact N-OE2 3.31Å; R149-E157 IonicContact CZ-OE1 3.45Å; R149-E157 IonicContact CZ-OE2 3.14Å; R149-E157 IonicContact NH1-OE1 3.56Å; R149-E157 PolarHBondContact NH1-OE1 2.73Å; R149-E157 IonicContact NH1-OE2 3.63Å; R149-E157 PolarHBondContact NH1-OE2 3.33Å; R149-E157 IonicContact NH2-OE1 3.89Å; R149-E157 IonicContact NH2-OE2 3.52Å; D153-E157 VanDerWaalsContact O-CB 3.25Å; D153-E157 WeakPolarHBondContact O-CB 3.34Å; D153-E157 PolarHBondContact O-N 3.08Å; L155-E157 VanDerWaalsContact C-N 3.31Å; L155-E157 PolarHBondContact O-N 3.26Å; E157-L161 HydrophobicContact CG-CD1 3.46Å; E157-L161 VanDerWaalsContact CG-CD1 3.46Å; E157-L161 HydrophobicContact CG-CG 3.98Å; E157-L161 VanDerWaalsContact O-CB 3.24Å; E157-L161 WeakPolarHBondContact O-CB 3.23Å; E157-L161 WeakPolarHBondContact O-CG 3.16Å; E157-L161 PolarHBondContact O-N 2.9Å
158L94.3Very high95.5Very high1 Ų149.3 Ų49.31%0.00525%0.245CC..Hα-helixtrans-59.7-50.9173.9-80.5163.2000110.5M111 I113 I119 T139 L154 L155 E156 L162 V253M111-L158 HydrophobicContact CE-CD2 3.54Å; I113-L158 HydrophobicContact CD1-CD2 3.71Å; I113-L158 HydrophobicContact CD1-CG 4.46Å; I119-L158 HydrophobicContact CD1-CD2 3.77Å; I119-L158 HydrophobicContact CD1-CG 4.47Å; I119-L158 HydrophobicContact CG1-CD2 4.5Å; T139-L158 HydrophobicContact CG2-CD1 4.09Å; T139-L158 HydrophobicContact CG2-CD2 4.32Å; L154-L158 VanDerWaalsContact O-CG 3.3Å; L154-L158 WeakPolarHBondContact O-CG 3.45Å; L154-L158 PolarHBondContact O-N 2.63Å; L154-L158 VanDerWaalsContact O-N 3.08Å; L155-L158 HydrophobicContact CD2-CD1 4.25Å; L155-L158 WeakPolarHBondContact O-CB 3.48Å; L155-L158 PolarHBondContact O-N 3.09Å; L155-L158 VanDerWaalsContact O-N 3.12Å; E156-L158 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 3.43Å; L158-L162 HydrophobicContact CD2-CD1 3.75Å; L158-L162 WeakPolarHBondContact O-CB 3.39Å; L158-L162 PolarHBondContact O-N 3.33Å; L158-L162 VanDerWaalsContact O-N 3.08Å; L158-V253 HydrophobicContact CD1-CG2 4.09Å
159E94.7Very high95.6Very high74 Ų7448.1 Ų48.135%0.34623%0.232SC..Hα-helixtrans-62.8-50.2-178.5-73.1170.2-158.200111.6L155 E156 D163 I164 S166L155-E159 PolarHBondContact O-N 2.64Å; E156-E159 PolarHBondContact O-N 2.97Å; E159-D163 WeakPolarHBondContact O-CA 3.49Å; E159-D163 PolarHBondContact O-N 3.27Å; E159-I164 WeakPolarHBondContact CA-O 3.45Å; E159-I164 VanDerWaalsContact CG-O 3.26Å; E159-I164 WeakPolarHBondContact CG-O 3.42Å; E159-S166 WeakPolarHBondContact OE1-CB 3.41Å; E159-S166 PolarHBondContact OE1-OG 3.27Å
160E94.3Very high95.6Very high143 Ų14344.6 Ų44.667%0.66822%0.219SC*.Hα-helixtrans-70.4-42.8-176.2-69.4-167.1150.300113.5E156E156-E160 HydrophobicContact CG-CG 4.26Å; E156-E160 WeakPolarHBondContact O-CB 3.5Å; E156-E160 WeakPolarHBondContact O-CG 3.3Å; E156-E160 PolarHBondContact O-N 3.15Å
161L93.6Very high95.7Very high70 Ų7039.6 Ų39.637%0.36620%0.196SC..Hα-helixtrans-86.2-27.9-173-64.9-173.9000113.7I119 E157I119-L161 HydrophobicContact CB-CD1 4.05Å; I119-L161 HydrophobicContact CG2-CD1 4.28Å; E157-L161 HydrophobicContact CG-CD1 3.46Å; E157-L161 VanDerWaalsContact CG-CD1 3.46Å; E157-L161 HydrophobicContact CG-CG 3.98Å; E157-L161 VanDerWaalsContact O-CB 3.24Å; E157-L161 WeakPolarHBondContact O-CB 3.23Å; E157-L161 WeakPolarHBondContact O-CG 3.16Å; E157-L161 PolarHBondContact O-N 2.9Å
162L93.1Very high95.7Very high7 Ų739.5 Ų39.54%0.03720%0.195CC..Hα-helixtrans-109.5-11.5-176-52.5-175.2000113M111 I119 K124 F127 K131 L158 I164M111-L162 HydrophobicContact CE-CD1 3.79Å; M111-L162 HydrophobicContact SD-CD1 4.02Å; I119-L162 HydrophobicContact CD1-CD1 3.93Å; I119-L162 HydrophobicContact CG1-CD1 4.47Å; I119-L162 HydrophobicContact CG2-CD2 4.09Å; K124-L162 HydrophobicContact CB-CD2 4.38Å; K124-L162 HydrophobicContact CG-CD2 4.15Å; F127-L162 HydrophobicContact CB-CD1 4.47Å; F127-L162 HydrophobicContact CB-CD2 4.25Å; F127-L162 HydrophobicContact CD1-CB 3.86Å; F127-L162 HydrophobicContact CD1-CD1 4.31Å; F127-L162 HydrophobicContact CD1-CD2 3.79Å; F127-L162 HydrophobicContact CD1-CG 4.21Å; F127-L162 HydrophobicContact CD2-CB 4.35Å; F127-L162 HydrophobicContact CD2-CD1 3.72Å; F127-L162 HydrophobicContact CD2-CG 4.46Å; F127-L162 HydrophobicContact CE1-CB 3.54Å; F127-L162 HydrophobicContact CE1-CD2 4.35Å; F127-L162 HydrophobicContact CE1-CG 4.37Å; F127-L162 WeakPolarHBondContact CE1-O 3.47Å; F127-L162 HydrophobicContact CE2-CB 4.01Å; F127-L162 HydrophobicContact CE2-CD1 3.97Å; F127-L162 HydrophobicContact CG-CB 4.28Å; F127-L162 HydrophobicContact CG-CD1 3.89Å; F127-L162 HydrophobicContact CG-CD2 3.95Å; F127-L162 HydrophobicContact CG-CG 4.28Å; F127-L162 HydrophobicContact CZ-CB 3.61Å; F127-L162 HydrophobicContact CZ-CD1 4.42Å; F127-L162 WeakPolarHBondContact CZ-O 3.49Å; K131-L162 PolarHBondContact NZ-O 2.86Å; K131-L162 VanDerWaalsContact NZ-O 3.14Å; L158-L162 HydrophobicContact CD2-CD1 3.75Å; L158-L162 WeakPolarHBondContact O-CB 3.39Å; L158-L162 PolarHBondContact O-N 3.33Å; L158-L162 VanDerWaalsContact O-N 3.08Å; L162-I164 HydrophobicContact CB-CG2 3.92Å
163D92.1Very high95.8Very high129 Ų12936.3 Ų36.369%0.6918%0.178SC*.  trans59.647.4178.8173.861.6000111K131 E159K131-D163 PolarHBondContact NZ-O 3.26Å; K131-D163 IonicContact NZ-OD2 3.55Å; K131-D163 PolarHBondContact NZ-OD2 2.63Å; E159-D163 WeakPolarHBondContact O-CA 3.49Å; E159-D163 PolarHBondContact O-N 3.27Å
164I94.8Very high95.8Very high6 Ų633.5 Ų33.53%0.03117%0.167CC..  trans-134.9136.2-177.4-169.8171.3000109.8F127 E159 L162 G248 D249 T251F127-I164 HydrophobicContact CE2-CB 4.34Å; F127-I164 HydrophobicContact CE2-CD1 3.81Å; F127-I164 HydrophobicContact CE2-CG2 4.06Å; F127-I164 HydrophobicContact CZ-CB 3.95Å; F127-I164 HydrophobicContact CZ-CD1 4.05Å; F127-I164 HydrophobicContact CZ-CG2 3.98Å; E159-I164 WeakPolarHBondContact CA-O 3.45Å; E159-I164 VanDerWaalsContact CG-O 3.26Å; E159-I164 WeakPolarHBondContact CG-O 3.42Å; L162-I164 HydrophobicContact CB-CG2 3.92Å; I164-G248 WeakPolarHBondContact CD1-O 3.05Å; I164-D249 WeakPolarHBondContact CG1-O 3.49Å; I164-T251 HydrophobicContact CD1-CG2 4.07Å; I164-T251 HydrophobicContact CG1-CG2 4.36Å; I164-T251 HydrophobicContact CG2-CG2 4.18Å
165E96.3Very high95.7Very high53 Ų5335.1 Ų35.125%0.24817%0.174CC..EExtended strand (participates in β ladder)trans-63.4140.9173.7-70.6-178-164.500110D238 K244 D249 Q250 T251E165-D238 WeakPolarHBondContact CA-OD2 3.27Å; E165-D238 HydrophobicContact CB-CB 4.38Å; E165-D238 WeakPolarHBondContact CB-OD2 3.35Å; E165-D238 WeakPolarHBondContact CG-OD2 3.35Å; E165-K244 IonicContact OE1-NZ 2.89Å; E165-K244 PolarHBondContact OE1-NZ 3.04Å; E165-K244 WeakPolarHBondContact OE2-CD 3.41Å; E165-K244 WeakPolarHBondContact OE2-CE 3.39Å; E165-K244 IonicContact OE2-NZ 2.78Å; E165-K244 PolarHBondContact OE2-NZ 3.5Å; E165-D249 PolarHBondContact N-O 3.12Å; E165-D249 VanDerWaalsContact N-O 3.11Å; E165-Q250 HydrophobicContact CB-CB 3.92Å; E165-Q250 HydrophobicContact CB-CG 3.86Å; E165-Q250 CarbonylContact O-C 3.55Å; E165-Q250 VanDerWaalsContact O-CA 3.3Å; E165-Q250 WeakPolarHBondContact O-CA 3.07Å; E165-Q250 PolarHBondContact OE2-NE2 3.4Å; E165-Q250 VanDerWaalsContact OE2-NE2 3.16Å; E165-T251 PolarHBondContact O-N 2.91Å
166S96.3Very high95.6Very high3 Ų335 Ų352%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-115.6130.7179.783.50000110.3E159 D238E159-S166 WeakPolarHBondContact OE1-CB 3.41Å; E159-S166 PolarHBondContact OE1-OG 3.27Å; S166-D238 PolarHBondContact N-OD2 2.89Å
167Y97Very high95.5Very high44 Ų4438.8 Ų38.817%0.17319%0.191CC..EExtended strand (participates in β ladder)trans-126.3109.4177.2-174.1-90.4000110M169 D238 F240 T251 P252 V253Y167-M169 HydrophobicContact CD1-SD 3.5Å; Y167-M169 VanDerWaalsContact CD1-SD 3.5Å; Y167-M169 HydrophobicContact CE1-SD 3.71Å; Y167-M169 PolarHBondContact O-N 2.78Å; Y167-D238 VanDerWaalsContact CD2-O 3.23Å; Y167-D238 WeakPolarHBondContact CD2-O 3.36Å; Y167-F240 HydrophobicContact CD1-CB 4.33Å; Y167-F240 AromaticContact CD1-CD2 3.83Å; Y167-F240 HydrophobicContact CD1-CD2 3.83Å; Y167-F240 HydrophobicContact CD2-CB 4.06Å; Y167-F240 HydrophobicContact CE1-CB 3.96Å; Y167-F240 AromaticContact CE1-CD2 3.82Å; Y167-F240 HydrophobicContact CE1-CD2 3.82Å; Y167-F240 HydrophobicContact CE1-CG 4.32Å; Y167-F240 HydrophobicContact CE2-CB 3.69Å; Y167-F240 HydrophobicContact CG-CB 4.36Å; Y167-F240 HydrophobicContact CG-CD2 4.36Å; Y167-T251 PolarHBondContact N-O 3.29Å; Y167-P252 CarbonylContact O-C 3.41Å; Y167-P252 WeakPolarHBondContact O-CA 3.15Å; Y167-V253 PolarHBondContact O-N 3.05Å
168P97.4Very high95.4Very high2 Ų238.9 Ų38.91%0.01320%0.2CC..EExtended strand (participates in β ladder)trans-69.8120177.425.9-29.3000110.8L155 W171 I185 V233 V253L155-P168 HydrophobicContact CD1-CG 4.16Å; P168-W171 HydrophobicContact CB-CE3 3.8Å; P168-W171 HydrophobicContact CB-CZ3 4.02Å; P168-W171 HydrophobicContact CG-CE3 4.14Å; P168-W171 HydrophobicContact CG-CZ3 4.1Å; P168-I185 HydrophobicContact CB-CD1 4.31Å; P168-I185 HydrophobicContact CG-CD1 4.35Å; P168-I185 WeakPolarHBondContact O-CD1 3.41Å; P168-V233 HydrophobicContact CG-CB 4.4Å; P168-V233 HydrophobicContact CG-CG1 3.38Å; P168-V253 WeakPolarHBondContact CA-O 3.47Å
169M97.3Very high95.5Very high0 Ų038.9 Ų38.90%020%0.2CC..SBendtrans-82.1-25.7171.9-60.9-59-71.900111.4Y167 I185 Y186 F240 P252 V253 F254 T270 L274Y167-M169 HydrophobicContact CD1-SD 3.5Å; Y167-M169 VanDerWaalsContact CD1-SD 3.5Å; Y167-M169 HydrophobicContact CE1-SD 3.71Å; Y167-M169 PolarHBondContact O-N 2.78Å; M169-I185 WeakPolarHBondContact O-CB 3.49Å; M169-I185 PolarHBondContact O-N 3.11Å; M169-Y186 HydrophobicContact CE-CD1 4.46Å; M169-Y186 HydrophobicContact CE-CD2 3.33Å; M169-Y186 HydrophobicContact CE-CE2 3.99Å; M169-Y186 HydrophobicContact CE-CG 3.6Å; M169-Y186 PolarHBondContact O-N 3.46Å; M169-F240 HydrophobicContact CE-CE2 4.31Å; M169-F240 HydrophobicContact SD-CD2 4.29Å; M169-F240 HydrophobicContact SD-CE2 4.2Å; M169-P252 HydrophobicContact CG-CB 3.53Å; M169-P252 HydrophobicContact SD-CB 4.02Å; M169-V253 PolarHBondContact N-O 3.1Å; M169-F254 HydrophobicContact CB-CD1 3.79Å; M169-F254 HydrophobicContact CB-CD2 4.48Å; M169-F254 HydrophobicContact CB-CE1 3.42Å; M169-F254 VanDerWaalsContact CB-CE1 3.42Å; M169-F254 HydrophobicContact CB-CE2 4.17Å; M169-F254 HydrophobicContact CB-CG 4.32Å; M169-F254 HydrophobicContact CB-CZ 3.65Å; M169-F254 HydrophobicContact CG-CD1 4.48Å; M169-F254 HydrophobicContact CG-CD2 4.43Å; M169-F254 HydrophobicContact CG-CE1 3.88Å; M169-F254 HydrophobicContact CG-CE2 3.82Å; M169-F254 HydrophobicContact CG-CZ 3.52Å; M169-T270 HydrophobicContact CE-CG2 3.26Å; M169-L274 HydrophobicContact CE-CD1 3.55Å; M169-L274 HydrophobicContact SD-CD1 4.49Å
170N97.6Very high95.5Very high0 Ų036.5 Ų36.50%019%0.189CC..EExtended strand (participates in β ladder)trans-144.8167.2172.276.310.3000109.9I182 Y183 F254 F255N170-I182 HydrophobicContact CB-CG2 3.46Å; N170-I182 VanDerWaalsContact CB-CG2 3.46Å; N170-I182 WeakPolarHBondContact ND2-CG2 3.24Å; N170-Y183 CarbonylContact C-O 3.59Å; N170-Y183 WeakPolarHBondContact CA-O 3.24Å; N170-Y183 WeakPolarHBondContact CB-O 3.44Å; N170-F254 VanDerWaalsContact OD1-CA 3.31Å; N170-F254 WeakPolarHBondContact OD1-CA 3.25Å; N170-F255 PolarHBondContact ND2-O 3.05Å; N170-F255 WeakPolarHBondContact O-CD2 3.32Å; N170-F255 PolarHBondContact OD1-N 3.14Å
171W98Very high95.6Very high0 Ų029.7 Ų29.70%016%0.157CC..EExtended strand (participates in β ladder)trans-136.7135.9-178.3-160-100.7000111P151 L152 L155 P168 I182 Y183 E229 V230 V233 F255P151-W171 HydrophobicContact CB-CH2 3.61Å; P151-W171 HydrophobicContact CB-CZ2 3.5Å; P151-W171 HydrophobicContact CB-CZ3 4.17Å; P151-W171 HydrophobicContact CG-CZ2 4.3Å; L152-W171 HydrophobicContact CD2-CH2 3.72Å; L152-W171 HydrophobicContact CD2-CZ2 4.1Å; L152-W171 HydrophobicContact CG-CH2 3.93Å; L152-W171 HydrophobicContact CG-CZ2 3.96Å; L155-W171 HydrophobicContact CD1-CH2 4.11Å; L155-W171 HydrophobicContact CD1-CZ3 3.71Å; L155-W171 HydrophobicContact CG-CZ3 4.37Å; P168-W171 HydrophobicContact CB-CE3 3.8Å; P168-W171 HydrophobicContact CB-CZ3 4.02Å; P168-W171 HydrophobicContact CG-CE3 4.14Å; P168-W171 HydrophobicContact CG-CZ3 4.1Å; W171-I182 CarbonylContact O-C 3.51Å; W171-I182 WeakPolarHBondContact O-CA 3.15Å; W171-Y183 PolarHBondContact N-O 3.35Å; W171-Y183 PolarHBondContact O-N 2.86Å; W171-E229 HydrophobicContact CZ2-CB 4.37Å; W171-E229 PolarHBondContact NE1-OE2 2.86Å; W171-V230 HydrophobicContact CB-CG2 3.88Å; W171-V230 HydrophobicContact CG-CG2 4.02Å; W171-V233 HydrophobicContact CH2-CG2 4.05Å; W171-V233 HydrophobicContact CZ3-CG2 4.21Å; W171-F255 HydrophobicContact CE3-CE2 4.04Å; W171-F255 HydrophobicContact CZ3-CE2 4.18Å; W171-F255 HydrophobicContact CZ3-CZ 4.36Å
172P97.8Very high95.8Very high5 Ų526.4 Ų26.43%0.03214%0.14CC..EExtended strand (participates in β ladder)trans-74.1136.8-177.931.1-33.7000111.4L144 P151 G174 F255L144-P172 HydrophobicContact CD1-CB 3.75Å; L144-P172 HydrophobicContact CD2-CB 3.92Å; L144-P172 HydrophobicContact CD2-CG 4.42Å; L144-P172 HydrophobicContact CG-CB 4.49Å; P151-P172 HydrophobicContact CB-CG 4.12Å; P151-P172 HydrophobicContact CG-CG 3.41Å; P151-P172 VanDerWaalsContact CG-CG 3.41Å; P172-G174 PolarHBondContact O-N 2.58Å; P172-F255 HydrophobicContact CB-CB 4.27Å; P172-F255 HydrophobicContact CG-CB 4.31Å; P172-F255 HydrophobicContact CG-CD1 4.02Å; P172-F255 HydrophobicContact CG-CE1 4.49Å; P172-F255 HydrophobicContact CG-CG 4.08Å
173I97.3Very high96Very high0 Ų026.2 Ų26.20%014%0.139CC..EExtended strand (participates in β ladder)trans-96.384169.3-47.1179.9000107.4E180 G181 I190 L217 I222 V226I173-E180 HydrophobicContact CB-CB 4.34Å; I173-E180 HydrophobicContact CG2-CB 3.95Å; I173-E180 PolarHBondContact O-N 2.93Å; I173-G181 WeakPolarHBondContact CA-O 2.91Å; I173-G181 WeakPolarHBondContact CB-O 3.44Å; I173-G181 PolarHBondContact N-O 3.41Å; I173-G181 PolarHBondContact O-N 2.63Å; I173-I190 HydrophobicContact CD1-CD1 4.04Å; I173-I190 HydrophobicContact CD1-CG1 4.12Å; I173-I190 HydrophobicContact CD1-CG2 3.92Å; I173-L217 HydrophobicContact CD1-CD2 3.95Å; I173-L217 HydrophobicContact CG2-CD1 4.33Å; I173-I222 HydrophobicContact CG2-CG2 4.16Å; I173-V226 HydrophobicContact CB-CG2 4.47Å; I173-V226 HydrophobicContact CG1-CG1 4.21Å; I173-V226 HydrophobicContact CG1-CG2 4.47Å; I173-V226 HydrophobicContact CG2-CG2 4.27Å
174G95.3Very high96.3Very high15 Ų1520.1 Ų20.116%0.15511%0.106CC..  trans79.1-176.4-173.900000114.9P172 L179P172-G174 PolarHBondContact O-N 2.58Å; G174-L179 WeakPolarHBondContact O-CD1 3.11Å
175M94.9Very high96.3Very high38 Ų3820.5 Ų20.519%0.18711%0.108CC..  trans-151.7164.3-178.564.1-178.980.400111.2G148 K177 G178 L179G148-M175 PolarHBondContact N-SD 2.73Å; G148-M175 VanDerWaalsContact N-SD 3.38Å; M175-K177 PolarHBondContact O-N 3.07Å; M175-G178 CarbonylContact O-C 3.28Å; M175-G178 WeakPolarHBondContact O-CA 3.32Å; M175-G178 PolarHBondContact O-N 2.79Å; M175-L179 PolarHBondContact O-N 3.49Å
176G94.7Very high96.2Very high7 Ų722.2 Ų22.27%0.07211%0.113CC..G310 helixtrans55.4-121176.600000112.5L144 R146 D147 G178L144-G176 PolarHBondContact O-N 3.14Å; R146-G176 PolarHBondContact O-N 3.48Å; D147-G176 WeakPolarHBondContact OD1-CA 3.45Å; G176-G178 VanDerWaalsContact C-N 3.31Å
177K93Very high96.1Very high186 Ų18624.7 Ų24.781%0.80913%0.126SC*.G310 helixtrans-70.7-28.6178.9-69.9-176.1-178.5174.70113.3M175M175-K177 PolarHBondContact O-N 3.07Å
178G93.5Very high96Very high34 Ų3427.8 Ų27.835%0.35114%0.142SC..G310 helixtrans-93.310.8-17900000114M175 G176 E180M175-G178 CarbonylContact O-C 3.28Å; M175-G178 WeakPolarHBondContact O-CA 3.32Å; M175-G178 PolarHBondContact O-N 2.79Å; G176-G178 VanDerWaalsContact C-N 3.31Å; G178-E180 PolarHBondContact O-N 3.26Å
179L95.8Very high95.9Very high0 Ų029.6 Ų29.60%015%0.148CC..  trans-66.2116.9175.1-178.964.9000110.3L144 G174 M175 Y193 F262L144-L179 HydrophobicContact CB-CD1 4.26Å; L144-L179 HydrophobicContact CB-CD2 4Å; L144-L179 HydrophobicContact CD1-CD1 4.17Å; G174-L179 WeakPolarHBondContact O-CD1 3.11Å; M175-L179 PolarHBondContact O-N 3.49Å; L179-Y193 HydrophobicContact CB-CD1 4.07Å; L179-Y193 HydrophobicContact CB-CE1 4.44Å; L179-Y193 HydrophobicContact CD2-CD1 3.7Å; L179-Y193 HydrophobicContact CD2-CD2 3.79Å; L179-Y193 HydrophobicContact CD2-CE1 3.93Å; L179-Y193 HydrophobicContact CD2-CE2 4.04Å; L179-Y193 HydrophobicContact CD2-CG 3.62Å; L179-Y193 HydrophobicContact CG-CD1 3.81Å; L179-Y193 HydrophobicContact CG-CE1 4.41Å; L179-Y193 HydrophobicContact CG-CG 3.86Å; L179-Y193 WeakPolarHBondContact O-CD1 3.49Å; L179-F262 HydrophobicContact CD1-CE1 4.11Å; L179-F262 HydrophobicContact CD2-CD1 4.01Å; L179-F262 HydrophobicContact CD2-CE1 3.99Å; L179-F262 HydrophobicContact CG-CE1 4.32Å
180E95.4Very high95.9Very high25 Ų2529.6 Ų29.612%0.11715%0.148CC..  trans-103.7-37.4179.1-61.9-62.1172.600112I173 G178 Y193 Y198 L217 K220 I222I173-E180 HydrophobicContact CB-CB 4.34Å; I173-E180 HydrophobicContact CG2-CB 3.95Å; I173-E180 PolarHBondContact O-N 2.93Å; G178-E180 PolarHBondContact O-N 3.26Å; E180-Y193 PolarHBondContact O-N 2.95Å; E180-Y198 PolarHBondContact OE2-OH 3.08Å; E180-L217 HydrophobicContact CB-CD1 3.96Å; E180-L217 HydrophobicContact CG-CD1 4.18Å; E180-K220 HydrophobicContact CG-CD 4.35Å; E180-K220 IonicContact OE1-NZ 2.65Å; E180-K220 PolarHBondContact OE1-NZ 3.14Å; E180-K220 IonicContact OE2-NZ 2.8Å; E180-K220 PolarHBondContact OE2-NZ 3.41Å; E180-I222 HydrophobicContact CG-CG2 4.21Å
181G96.7Very high95.9Very high0 Ų029.7 Ų29.70%015%0.149CC..EExtended strand (participates in β ladder)trans178.2-167.1-172.900000114I173 E191I173-G181 WeakPolarHBondContact CA-O 2.91Å; I173-G181 WeakPolarHBondContact CB-O 3.44Å; I173-G181 PolarHBondContact N-O 3.41Å; I173-G181 PolarHBondContact O-N 2.63Å; G181-E191 CarbonylContact C-O 3.56Å; G181-E191 WeakPolarHBondContact CA-O 2.91Å
182I97.6Very high95.8Very high0 Ų029.8 Ų29.80%015%0.149CC..EExtended strand (participates in β ladder)trans-130.2129.9172.8-76.3161.7000107.4L144 N170 W171 D184 I190 E191 F255 F262L144-I182 HydrophobicContact CD1-CD1 4.41Å; L144-I182 HydrophobicContact CD1-CG1 4.31Å; N170-I182 HydrophobicContact CB-CG2 3.46Å; N170-I182 VanDerWaalsContact CB-CG2 3.46Å; N170-I182 WeakPolarHBondContact ND2-CG2 3.24Å; W171-I182 CarbonylContact O-C 3.51Å; W171-I182 WeakPolarHBondContact O-CA 3.15Å; I182-D184 PolarHBondContact O-N 2.75Å; I182-I190 CarbonylContact O-C 3.59Å; I182-I190 VanDerWaalsContact O-CA 3.29Å; I182-I190 WeakPolarHBondContact O-CA 3.49Å; I182-E191 PolarHBondContact N-O 3.29Å; I182-E191 PolarHBondContact O-N 2.95Å; I182-F255 WeakPolarHBondContact CD1-O 3.49Å; I182-F262 HydrophobicContact CB-CE1 4.49Å; I182-F262 HydrophobicContact CB-CZ 4.05Å; I182-F262 HydrophobicContact CD1-CD1 3.86Å; I182-F262 HydrophobicContact CD1-CE1 3.29Å; I182-F262 HydrophobicContact CD1-CE2 4.25Å; I182-F262 HydrophobicContact CD1-CZ 3.5Å; I182-F262 HydrophobicContact CG1-CD1 4.5Å; I182-F262 HydrophobicContact CG1-CE1 3.49Å; I182-F262 VanDerWaalsContact CG1-CE1 3.49Å; I182-F262 HydrophobicContact CG1-CZ 3.54Å
183Y97.8Very high95.7Very high4 Ų432 Ų322%0.01616%0.157CC..EExtended strand (participates in β ladder)trans-80.9108.1165.8-171.4-73000108.7N170 W171 I185 I190 L206 G209 I227 V230N170-Y183 CarbonylContact C-O 3.59Å; N170-Y183 WeakPolarHBondContact CA-O 3.24Å; N170-Y183 WeakPolarHBondContact CB-O 3.44Å; W171-Y183 PolarHBondContact N-O 3.35Å; W171-Y183 PolarHBondContact O-N 2.86Å; Y183-I185 HydrophobicContact CD1-CG1 3.62Å; Y183-I185 HydrophobicContact CE1-CB 4.47Å; Y183-I185 HydrophobicContact CE1-CG1 3.83Å; Y183-I185 PolarHBondContact O-N 2.71Å; Y183-I190 HydrophobicContact CD2-CD1 4.37Å; Y183-I190 HydrophobicContact CD2-CG1 4.23Å; Y183-L206 HydrophobicContact CD1-CD1 4.36Å; Y183-L206 HydrophobicContact CD2-CD1 3.96Å; Y183-L206 HydrophobicContact CE1-CD1 3.82Å; Y183-L206 HydrophobicContact CE2-CD1 3.38Å; Y183-L206 HydrophobicContact CE2-CD2 4.29Å; Y183-L206 HydrophobicContact CE2-CG 4.49Å; Y183-L206 HydrophobicContact CG-CD1 4.43Å; Y183-G209 VanDerWaalsContact CE2-O 3.27Å; Y183-G209 WeakPolarHBondContact CE2-O 3.44Å; Y183-G209 VanDerWaalsContact OH-CA 3.28Å; Y183-G209 WeakPolarHBondContact OH-CA 3.38Å; Y183-G209 PolarHBondContact OH-O 3.05Å; Y183-I227 HydrophobicContact CD2-CD1 4.23Å; Y183-I227 HydrophobicContact CE2-CD1 3.7Å; Y183-V230 HydrophobicContact CD1-CG1 4.23Å; Y183-V230 HydrophobicContact CD1-CG2 4.04Å; Y183-V230 HydrophobicContact CE1-CG1 3.76Å; Y183-V230 HydrophobicContact CE1-CG2 4.36Å; Y183-V230 HydrophobicContact CG-CG2 4.15Å
184D97.1Very high95.4Very high0 Ų036 Ų360%017%0.173CC..EExtended strand (participates in β ladder)trans-85.797.7178.2-176.2-12.2000109I182 Y186 N187 E188 R189 T266I182-D184 PolarHBondContact O-N 2.75Å; D184-Y186 VanDerWaalsContact C-N 3.28Å; D184-Y186 PolarHBondContact O-N 3.27Å; D184-Y186 PolarHBondContact OD1-N 3.08Å; D184-N187 PolarHBondContact OD1-N 3.38Å; D184-N187 PolarHBondContact OD1-ND2 3.01Å; D184-N187 VanDerWaalsContact OD2-CB 3.32Å; D184-N187 WeakPolarHBondContact OD2-CB 3.34Å; D184-N187 PolarHBondContact OD2-ND2 2.82Å; D184-E188 WeakPolarHBondContact O-CA 3.3Å; D184-E188 PolarHBondContact O-N 3.33Å; D184-R189 WeakPolarHBondContact CA-O 3.36Å; D184-R189 HydrophobicContact CB-CG 3.76Å; D184-R189 VanDerWaalsContact CB-O 3.29Å; D184-R189 WeakPolarHBondContact CB-O 3.38Å; D184-R189 PolarHBondContact N-O 2.79Å; D184-R189 PolarHBondContact O-N 3Å; D184-R189 IonicContact OD2-CZ 3.11Å; D184-R189 IonicContact OD2-NE 2.8Å; D184-R189 PolarHBondContact OD2-NE 3.16Å; D184-R189 IonicContact OD2-NH2 3.07Å; D184-R189 PolarHBondContact OD2-NH2 2.82Å; D184-R189 VanDerWaalsContact OD2-NH2 3.14Å; D184-T266 HydrophobicContact CB-CG2 4.27Å; D184-T266 WeakPolarHBondContact OD2-CG2 3.47Å
185I95.4Very high95.1Very high15 Ų1536.7 Ų36.78%0.07717%0.174CC..THydrogen-bonded Turntrans-64.9-37.7-176.5-61.8172.6000109.8P168 M169 Y183 V230P168-I185 HydrophobicContact CB-CD1 4.31Å; P168-I185 HydrophobicContact CG-CD1 4.35Å; P168-I185 WeakPolarHBondContact O-CD1 3.41Å; M169-I185 WeakPolarHBondContact O-CB 3.49Å; M169-I185 PolarHBondContact O-N 3.11Å; Y183-I185 HydrophobicContact CD1-CG1 3.62Å; Y183-I185 HydrophobicContact CE1-CB 4.47Å; Y183-I185 HydrophobicContact CE1-CG1 3.83Å; Y183-I185 PolarHBondContact O-N 2.71Å; I185-V230 HydrophobicContact CD1-CG1 4.28Å; I185-V230 HydrophobicContact CG1-CG1 4.25Å
186Y94.2Very high94.9Very high88 Ų8842.4 Ų42.435%0.34520%0.201SC..THydrogen-bonded Turntrans-73.9-44.5-174.6-176.8-103.5000113.1M169 D184 T270M169-Y186 HydrophobicContact CE-CD1 4.46Å; M169-Y186 HydrophobicContact CE-CD2 3.33Å; M169-Y186 HydrophobicContact CE-CE2 3.99Å; M169-Y186 HydrophobicContact CE-CG 3.6Å; M169-Y186 PolarHBondContact O-N 3.46Å; D184-Y186 VanDerWaalsContact C-N 3.28Å; D184-Y186 PolarHBondContact O-N 3.27Å; D184-Y186 PolarHBondContact OD1-N 3.08Å; Y186-T270 HydrophobicContact CD1-CG2 3.8Å; Y186-T270 HydrophobicContact CE1-CG2 4.03Å; Y186-T270 HydrophobicContact CG-CG2 4.04Å
187N93.9Very high94.5Very high56 Ų5646.8 Ų46.830%0.29922%0.219SC..THydrogen-bonded Turntrans-95.24.7-179.3-58-65.1000113.9D184 R189D184-N187 PolarHBondContact OD1-N 3.38Å; D184-N187 PolarHBondContact OD1-ND2 3.01Å; D184-N187 VanDerWaalsContact OD2-CB 3.32Å; D184-N187 WeakPolarHBondContact OD2-CB 3.34Å; D184-N187 PolarHBondContact OD2-ND2 2.82Å; N187-R189 HydrophobicContact CB-CG 4.07Å; N187-R189 PolarHBondContact ND2-NH2 3.28Å; N187-R189 PolarHBondContact O-N 2.84Å
188E95.2Very high94.2Very high109 Ų10938.1 Ų38.151%0.50918%0.181SC..THydrogen-bonded Turntrans50.754.6-178.9-59.5-175.7147.100112.7D184 L206D184-E188 WeakPolarHBondContact O-CA 3.3Å; D184-E188 PolarHBondContact O-N 3.33Å; E188-L206 WeakPolarHBondContact O-CB 3.12Å; E188-L206 PolarHBondContact O-N 3.27Å
189R96.6Very high93.8Very high39 Ų3945.1 Ų45.115%0.14721%0.205CC..EExtended strand (participates in β ladder)trans-146.6168.3179.864.9-176-179.9-176.6-2.5111.7D184 N187 F203 V204 E269D184-R189 WeakPolarHBondContact CA-O 3.36Å; D184-R189 HydrophobicContact CB-CG 3.76Å; D184-R189 VanDerWaalsContact CB-O 3.29Å; D184-R189 WeakPolarHBondContact CB-O 3.38Å; D184-R189 PolarHBondContact N-O 2.79Å; D184-R189 PolarHBondContact O-N 3Å; D184-R189 IonicContact OD2-CZ 3.11Å; D184-R189 IonicContact OD2-NE 2.8Å; D184-R189 PolarHBondContact OD2-NE 3.16Å; D184-R189 IonicContact OD2-NH2 3.07Å; D184-R189 PolarHBondContact OD2-NH2 2.82Å; D184-R189 VanDerWaalsContact OD2-NH2 3.14Å; N187-R189 HydrophobicContact CB-CG 4.07Å; N187-R189 PolarHBondContact ND2-NH2 3.28Å; N187-R189 PolarHBondContact O-N 2.84Å; R189-F203 HydrophobicContact CG-CD1 4.36Å; R189-V204 CarbonylContact C-O 3.55Å; R189-V204 WeakPolarHBondContact CA-O 3.45Å; R189-V204 VanDerWaalsContact CB-O 3.3Å; R189-V204 WeakPolarHBondContact CB-O 3.49Å; R189-E269 IonicContact CZ-OE2 3.52Å; R189-E269 IonicContact NH1-OE2 2.87Å; R189-E269 PolarHBondContact NH1-OE2 3.11Å; R189-E269 IonicContact NH2-OE2 3.48Å; R189-E269 PolarHBondContact NH2-OE2 3.17Å
190I96.8Very high93.3Very high0 Ų047.6 Ų47.60%023%0.23CC..EExtended strand (participates in β ladder)trans-111.5131.7166.9-73.5168.2000108.8I173 I182 Y183 F192 F203 V204 L206 I211 L217 Y223I173-I190 HydrophobicContact CD1-CD1 4.04Å; I173-I190 HydrophobicContact CD1-CG1 4.12Å; I173-I190 HydrophobicContact CD1-CG2 3.92Å; I182-I190 CarbonylContact O-C 3.59Å; I182-I190 VanDerWaalsContact O-CA 3.29Å; I182-I190 WeakPolarHBondContact O-CA 3.49Å; Y183-I190 HydrophobicContact CD2-CD1 4.37Å; Y183-I190 HydrophobicContact CD2-CG1 4.23Å; I190-F192 HydrophobicContact CG2-CD1 4.1Å; I190-F192 HydrophobicContact CG2-CE1 3.86Å; I190-F192 HydrophobicContact CG2-CE2 4.33Å; I190-F192 HydrophobicContact CG2-CG 4.46Å; I190-F192 HydrophobicContact CG2-CZ 3.97Å; I190-F203 CarbonylContact O-C 3.52Å; I190-F203 VanDerWaalsContact O-CA 3.24Å; I190-F203 WeakPolarHBondContact O-CA 3.34Å; I190-V204 PolarHBondContact N-O 3.34Å; I190-V204 PolarHBondContact O-N 2.99Å; I190-L206 HydrophobicContact CD1-CD2 3.81Å; I190-L206 HydrophobicContact CG1-CD2 4.02Å; I190-I211 HydrophobicContact CD1-CD1 3.72Å; I190-I211 HydrophobicContact CD1-CG1 3.72Å; I190-L217 HydrophobicContact CD1-CD2 4.24Å; I190-L217 HydrophobicContact CG2-CD2 4.42Å; I190-Y223 HydrophobicContact CD1-CE2 3.85Å
191E96.9Very high92.8Very high2 Ų250.8 Ų50.81%0.00925%0.245CC..EExtended strand (participates in β ladder)trans-97119.2167.3-171.3-178.7-176.500109.3G181 I182 R202 F203 F262 G263 T266G181-E191 CarbonylContact C-O 3.56Å; G181-E191 WeakPolarHBondContact CA-O 2.91Å; I182-E191 PolarHBondContact N-O 3.29Å; I182-E191 PolarHBondContact O-N 2.95Å; E191-R202 CarbonylContact C-O 3.51Å; E191-R202 WeakPolarHBondContact CA-O 3.37Å; E191-R202 HydrophobicContact CG-CG 4.43Å; E191-R202 IonicContact OE1-CZ 3.99Å; E191-R202 IonicContact OE1-NE 3.62Å; E191-R202 PolarHBondContact OE1-NE 3.07Å; E191-R202 IonicContact OE1-NH2 2.9Å; E191-R202 PolarHBondContact OE1-NH2 3.18Å; E191-F203 HydrophobicContact CB-CD1 3.89Å; E191-F203 HydrophobicContact CB-CE1 3.67Å; E191-F203 HydrophobicContact CG-CD1 4.04Å; E191-F203 HydrophobicContact CG-CE1 3.53Å; E191-F203 HydrophobicContact CG-CZ 4.07Å; E191-F262 HydrophobicContact CB-CE2 4.38Å; E191-F262 HydrophobicContact CG-CD2 4.46Å; E191-F262 HydrophobicContact CG-CE2 3.9Å; E191-G263 WeakPolarHBondContact OE2-CA 3.3Å; E191-T266 PolarHBondContact OE2-OG1 3.47Å
192F96.3Very high92.6Very high3 Ų354.9 Ų54.91%0.01326%0.261CS..EExtended strand (participates in β ladder)trans-83.1134.5178.9-66.4-73.1000112.1I190 Y198 E201 R202 V204 H215 L217I190-F192 HydrophobicContact CG2-CD1 4.1Å; I190-F192 HydrophobicContact CG2-CE1 3.86Å; I190-F192 HydrophobicContact CG2-CE2 4.33Å; I190-F192 HydrophobicContact CG2-CG 4.46Å; I190-F192 HydrophobicContact CG2-CZ 3.97Å; F192-Y198 HydrophobicContact CB-CD2 3.95Å; F192-Y198 HydrophobicContact CD1-CD1 4.32Å; F192-Y198 AromaticContact CD1-CD2 3.2Å; F192-Y198 HydrophobicContact CD1-CD2 3.2Å; F192-Y198 HydrophobicContact CD1-CE1 4.49Å; F192-Y198 AromaticContact CD1-CE2 3.44Å; F192-Y198 HydrophobicContact CD1-CE2 3.44Å; F192-Y198 VanDerWaalsContact CD1-CE2 3.44Å; F192-Y198 AromaticContact CD1-CG 3.69Å; F192-Y198 HydrophobicContact CD1-CG 3.69Å; F192-Y198 HydrophobicContact CD2-CD2 4.41Å; F192-Y198 HydrophobicContact CD2-CG 4.47Å; F192-Y198 AromaticContact CE1-CD1 3.97Å; F192-Y198 HydrophobicContact CE1-CD1 3.97Å; F192-Y198 AromaticContact CE1-CD2 3.72Å; F192-Y198 HydrophobicContact CE1-CD2 3.72Å; F192-Y198 HydrophobicContact CE1-CE1 4.16Å; F192-Y198 AromaticContact CE1-CE2 3.93Å; F192-Y198 HydrophobicContact CE1-CE2 3.93Å; F192-Y198 AromaticContact CE1-CG 3.73Å; F192-Y198 HydrophobicContact CE1-CG 3.73Å; F192-Y198 HydrophobicContact CE2-CG 4.5Å; F192-Y198 AromaticContact CG-CD2 3.6Å; F192-Y198 HydrophobicContact CG-CD2 3.6Å; F192-Y198 HydrophobicContact CG-CE2 4.23Å; F192-Y198 HydrophobicContact CG-CG 4.07Å; F192-Y198 HydrophobicContact CZ-CD1 4.43Å; F192-Y198 HydrophobicContact CZ-CG 4.17Å; F192-E201 VanDerWaalsContact CD2-O 3.22Å; F192-E201 WeakPolarHBondContact CD2-O 3.39Å; F192-R202 PolarHBondContact N-O 2.95Å; F192-V204 HydrophobicContact CE2-CB 3.91Å; F192-V204 HydrophobicContact CE2-CG2 3.55Å; F192-V204 HydrophobicContact CZ-CB 4.37Å; F192-V204 HydrophobicContact CZ-CG2 4.2Å; F192-H215 AromaticContact CE1-CE1 3.68Å; F192-H215 AromaticContact CZ-CE1 3.27Å; F192-H215 WeakPolarHBondContact CZ-CE1 3.33Å; F192-H215 AromaticContact CZ-NE2 3.52Å; F192-L217 HydrophobicContact CE1-CB 4.36Å; F192-L217 HydrophobicContact CE1-CD2 3.75Å
193Y94.7Very high92.4Very high51 Ų5158 Ų5820%0.227%0.274CS..SBendtrans-71.3-32.8177.4176.4-125.5000112.5L179 E180 T260 F262L179-Y193 HydrophobicContact CB-CD1 4.07Å; L179-Y193 HydrophobicContact CB-CE1 4.44Å; L179-Y193 HydrophobicContact CD2-CD1 3.7Å; L179-Y193 HydrophobicContact CD2-CD2 3.79Å; L179-Y193 HydrophobicContact CD2-CE1 3.93Å; L179-Y193 HydrophobicContact CD2-CE2 4.04Å; L179-Y193 HydrophobicContact CD2-CG 3.62Å; L179-Y193 HydrophobicContact CG-CD1 3.81Å; L179-Y193 HydrophobicContact CG-CE1 4.41Å; L179-Y193 HydrophobicContact CG-CG 3.86Å; L179-Y193 WeakPolarHBondContact O-CD1 3.49Å; E180-Y193 PolarHBondContact O-N 2.95Å; Y193-T260 HydrophobicContact CE2-CG2 4.15Å; Y193-T260 WeakPolarHBondContact CE2-OG1 3.06Å; Y193-T260 WeakPolarHBondContact OH-CG2 3.24Å; Y193-F262 VanDerWaalsContact CA-CE2 3.42Å; Y193-F262 HydrophobicContact CD2-CB 3.88Å; Y193-F262 AromaticContact CD2-CD1 3.78Å; Y193-F262 HydrophobicContact CD2-CD1 3.78Å; Y193-F262 AromaticContact CD2-CD2 3.85Å; Y193-F262 HydrophobicContact CD2-CD2 3.85Å; Y193-F262 HydrophobicContact CD2-CE1 4.27Å; Y193-F262 HydrophobicContact CD2-CE2 4.35Å; Y193-F262 AromaticContact CD2-CG 3.54Å; Y193-F262 HydrophobicContact CD2-CG 3.54Å; Y193-F262 HydrophobicContact CE2-CB 4.17Å; Y193-F262 HydrophobicContact CE2-CG 4.28Å; Y193-F262 HydrophobicContact CG-CD1 4.44Å; Y193-F262 HydrophobicContact CG-CG 4.45Å
194R91.9Very high92.2Very high84 Ų8458.5 Ų58.532%0.31728%0.278SS..  trans-129.380.6177.5-63.1177.6-173.61391.6109.5E196 Q197R194-E196 PolarHBondContact O-N 3.11Å; R194-Q197 HydrophobicContact CB-CG 4Å; R194-Q197 WeakPolarHBondContact O-CB 2.89Å; R194-Q197 PolarHBondContact O-N 3.42Å
195P88.4Confident92.1Very high29 Ų2965.8 Ų65.819%0.18831%0.31CS..G310 helixtrans-52.9-29-178.3-28.236.9000113.1Q197 Y198 G200 E201 R202P195-Q197 PolarHBondContact O-N 2.8Å; P195-Q197 VanDerWaalsContact O-N 3.12Å; P195-Y198 CarbonylContact O-C 3.53Å; P195-Y198 VanDerWaalsContact O-C 3.27Å; P195-Y198 WeakPolarHBondContact O-CA 3.31Å; P195-Y198 PolarHBondContact O-N 3.07Å; P195-G200 WeakPolarHBondContact O-CA 3.36Å; P195-G200 PolarHBondContact O-N 3.48Å; P195-E201 WeakPolarHBondContact CB-O 3.29Å; P195-R202 HydrophobicContact CG-CB 4.22Å; P195-R202 HydrophobicContact CG-CG 4.4Å
196E90.5Very high92.1Very high159 Ų15965.3 Ų65.374%0.74331%0.307SS*.G310 helixtrans-63.8-18.7179.6-49.383.9-178.700113.6R194 Y198R194-E196 PolarHBondContact O-N 3.11Å; E196-Y198 VanDerWaalsContact C-N 3.33Å
197Q87.2Confident91.9Very high98 Ų9865 Ų6546%0.45831%0.314SS..G310 helixtrans-82.5-13.8173.9-60.3-172.5-8.400112.8R194 P195R194-Q197 HydrophobicContact CB-CG 4Å; R194-Q197 WeakPolarHBondContact O-CB 2.89Å; R194-Q197 PolarHBondContact O-N 3.42Å; P195-Q197 PolarHBondContact O-N 2.8Å; P195-Q197 VanDerWaalsContact O-N 3.12Å
198Y87.4Confident91.6Very high5 Ų570.2 Ų70.22%0.0234%0.343CS..THydrogen-bonded Turntrans-130.955.4-173-56.3-71.7000109.9E180 F192 P195 E196 G200 E201 H215 P216 L217 K220E180-Y198 PolarHBondContact OE2-OH 3.08Å; F192-Y198 HydrophobicContact CB-CD2 3.95Å; F192-Y198 HydrophobicContact CD1-CD1 4.32Å; F192-Y198 AromaticContact CD1-CD2 3.2Å; F192-Y198 HydrophobicContact CD1-CD2 3.2Å; F192-Y198 HydrophobicContact CD1-CE1 4.49Å; F192-Y198 AromaticContact CD1-CE2 3.44Å; F192-Y198 HydrophobicContact CD1-CE2 3.44Å; F192-Y198 VanDerWaalsContact CD1-CE2 3.44Å; F192-Y198 AromaticContact CD1-CG 3.69Å; F192-Y198 HydrophobicContact CD1-CG 3.69Å; F192-Y198 HydrophobicContact CD2-CD2 4.41Å; F192-Y198 HydrophobicContact CD2-CG 4.47Å; F192-Y198 AromaticContact CE1-CD1 3.97Å; F192-Y198 HydrophobicContact CE1-CD1 3.97Å; F192-Y198 AromaticContact CE1-CD2 3.72Å; F192-Y198 HydrophobicContact CE1-CD2 3.72Å; F192-Y198 HydrophobicContact CE1-CE1 4.16Å; F192-Y198 AromaticContact CE1-CE2 3.93Å; F192-Y198 HydrophobicContact CE1-CE2 3.93Å; F192-Y198 AromaticContact CE1-CG 3.73Å; F192-Y198 HydrophobicContact CE1-CG 3.73Å; F192-Y198 HydrophobicContact CE2-CG 4.5Å; F192-Y198 AromaticContact CG-CD2 3.6Å; F192-Y198 HydrophobicContact CG-CD2 3.6Å; F192-Y198 HydrophobicContact CG-CE2 4.23Å; F192-Y198 HydrophobicContact CG-CG 4.07Å; F192-Y198 HydrophobicContact CZ-CD1 4.43Å; F192-Y198 HydrophobicContact CZ-CG 4.17Å; P195-Y198 CarbonylContact O-C 3.53Å; P195-Y198 VanDerWaalsContact O-C 3.27Å; P195-Y198 WeakPolarHBondContact O-CA 3.31Å; P195-Y198 PolarHBondContact O-N 3.07Å; E196-Y198 VanDerWaalsContact C-N 3.33Å; Y198-G200 PolarHBondContact O-N 3.21Å; Y198-E201 WeakPolarHBondContact O-CB 3.45Å; Y198-E201 PolarHBondContact O-N 3.11Å; Y198-H215 AromaticContact CD1-CE1 3.4Å; Y198-H215 WeakPolarHBondContact CD1-CE1 3.46Å; Y198-H215 AromaticContact CD1-NE2 3.97Å; Y198-H215 AromaticContact CE1-CE1 3.94Å; Y198-P216 HydrophobicContact CD1-CB 4.34Å; Y198-P216 HydrophobicContact CE1-CB 4.25Å; Y198-L217 HydrophobicContact CE1-CB 3.94Å; Y198-K220 PolarHBondContact OH-NZ 2.69Å
199E84.6Confident91.4Very high180 Ų18065.8 Ų65.884%0.84133%0.326SS*.THydrogen-bonded Turntrans59.914.2176.2-53.5-169.4177.900115.9E201E199-E201 VanDerWaalsContact C-N 3.27Å
200G84.6Confident91.3Very high52 Ų5267.9 Ų67.954%0.53634%0.337SS..THydrogen-bonded Turntrans82.23.9-174.800000113.5P195 Y198 R202P195-G200 WeakPolarHBondContact O-CA 3.36Å; P195-G200 PolarHBondContact O-N 3.48Å; Y198-G200 PolarHBondContact O-N 3.21Å; G200-R202 PolarHBondContact O-N 3.46Å
201E84.9Confident91.1Very high93 Ų9368.1 Ų68.144%0.43534%0.339SS..  trans-73.4119.7176.6-62.5-166.1155.800109.6F192 P195 Y198 E199 V204F192-E201 VanDerWaalsContact CD2-O 3.22Å; F192-E201 WeakPolarHBondContact CD2-O 3.39Å; P195-E201 WeakPolarHBondContact CB-O 3.29Å; Y198-E201 WeakPolarHBondContact O-CB 3.45Å; Y198-E201 PolarHBondContact O-N 3.11Å; E199-E201 VanDerWaalsContact C-N 3.27Å; E201-V204 HydrophobicContact CB-CG2 4.35Å; E201-V204 WeakPolarHBondContact OE2-CG2 3.38Å
202R91.9Very high90.7Very high86 Ų8671.2 Ų71.233%0.32536%0.364SS..SBendtrans-80-38.5174.4-177.1176.5174.4-159.7-5.9111.8E191 F192 P195 G200 E265E191-R202 CarbonylContact C-O 3.51Å; E191-R202 WeakPolarHBondContact CA-O 3.37Å; E191-R202 HydrophobicContact CG-CG 4.43Å; E191-R202 IonicContact OE1-CZ 3.99Å; E191-R202 IonicContact OE1-NE 3.62Å; E191-R202 PolarHBondContact OE1-NE 3.07Å; E191-R202 IonicContact OE1-NH2 2.9Å; E191-R202 PolarHBondContact OE1-NH2 3.18Å; F192-R202 PolarHBondContact N-O 2.95Å; P195-R202 HydrophobicContact CG-CB 4.22Å; P195-R202 HydrophobicContact CG-CG 4.4Å; G200-R202 PolarHBondContact O-N 3.46Å; R202-E265 IonicContact CZ-OE2 3.05Å; R202-E265 IonicContact NH1-OE2 2.83Å; R202-E265 PolarHBondContact NH1-OE2 3.16Å; R202-E265 IonicContact NH2-OE2 3.14Å; R202-E265 PolarHBondContact NH2-OE2 3.41Å
203F94Very high90.3Very high64 Ų6473.9 Ų73.928%0.28139%0.393SS..EExtended strand (participates in β ladder)trans-126.7134-177.8-64.1-76.8000110.8R189 I190 E191R189-F203 HydrophobicContact CG-CD1 4.36Å; I190-F203 CarbonylContact O-C 3.52Å; I190-F203 VanDerWaalsContact O-CA 3.24Å; I190-F203 WeakPolarHBondContact O-CA 3.34Å; E191-F203 HydrophobicContact CB-CD1 3.89Å; E191-F203 HydrophobicContact CB-CE1 3.67Å; E191-F203 HydrophobicContact CG-CD1 4.04Å; E191-F203 HydrophobicContact CG-CE1 3.53Å; E191-F203 HydrophobicContact CG-CZ 4.07Å
204V94.7Very high90Very high16 Ų1680.9 Ų80.910%0.09743%0.428CS..EExtended strand (participates in β ladder)trans-121.9128.1170.6163.50000109.5R189 I190 F192 E201 I211R189-V204 CarbonylContact C-O 3.55Å; R189-V204 WeakPolarHBondContact CA-O 3.45Å; R189-V204 VanDerWaalsContact CB-O 3.3Å; R189-V204 WeakPolarHBondContact CB-O 3.49Å; I190-V204 PolarHBondContact N-O 3.34Å; I190-V204 PolarHBondContact O-N 2.99Å; F192-V204 HydrophobicContact CE2-CB 3.91Å; F192-V204 HydrophobicContact CE2-CG2 3.55Å; F192-V204 HydrophobicContact CZ-CB 4.37Å; F192-V204 HydrophobicContact CZ-CG2 4.2Å; E201-V204 HydrophobicContact CB-CG2 4.35Å; E201-V204 WeakPolarHBondContact OE2-CG2 3.38Å; V204-I211 HydrophobicContact CG1-CB 4.39Å; V204-I211 HydrophobicContact CG1-CG1 4.01Å; V204-I211 HydrophobicContact CG1-CG2 3.75Å
205K94.3Very high90Very high153 Ų15378 Ų7867%0.66542%0.418SS*.EExtended strand (participates in β ladder)trans-74139.9178.6-173.3172.6-179.51760110.8
206L94.6Very high90.1Very high5 Ų579.7 Ų79.73%0.02643%0.428CS..EExtended strand (participates in β ladder)trans-89148.9174.9-59.7170.2000110.9Y183 E188 I190 E210 I211Y183-L206 HydrophobicContact CD1-CD1 4.36Å; Y183-L206 HydrophobicContact CD2-CD1 3.96Å; Y183-L206 HydrophobicContact CE1-CD1 3.82Å; Y183-L206 HydrophobicContact CE2-CD1 3.38Å; Y183-L206 HydrophobicContact CE2-CD2 4.29Å; Y183-L206 HydrophobicContact CE2-CG 4.49Å; Y183-L206 HydrophobicContact CG-CD1 4.43Å; E188-L206 WeakPolarHBondContact O-CB 3.12Å; E188-L206 PolarHBondContact O-N 3.27Å; I190-L206 HydrophobicContact CD1-CD2 3.81Å; I190-L206 HydrophobicContact CG1-CD2 4.02Å; L206-E210 CarbonylContact C-O 3.59Å; L206-E210 VanDerWaalsContact CA-O 3.3Å; L206-E210 WeakPolarHBondContact CA-O 3.33Å; L206-I211 HydrophobicContact CD2-CG1 4.01Å
207T91Very high90.2Very high80 Ų8072.1 Ų72.149%0.49139%0.393SS..EExtended strand (participates in β ladder)trans-126.4122170.6-560000107.1G209 E210T207-G209 PolarHBondContact O-N 3.46Å; T207-E210 PolarHBondContact N-O 3.45Å; T207-E210 PolarHBondContact O-N 3.43Å; T207-E210 VanDerWaalsContact O-N 3.1Å
208D88.2Confident90.4Very high167 Ų16770.2 Ų70.289%0.89338%0.383SS*.THydrogen-bonded Turntrans52.136.7-175.8-57.5-35.4000113.5
209G90.8Very high90.6Very high16 Ų1678.2 Ų78.217%0.16542%0.421CS..THydrogen-bonded Turntrans86.7-2.9177.900000115.7Y183 T207 I227Y183-G209 VanDerWaalsContact CE2-O 3.27Å; Y183-G209 WeakPolarHBondContact CE2-O 3.44Å; Y183-G209 VanDerWaalsContact OH-CA 3.28Å; Y183-G209 WeakPolarHBondContact OH-CA 3.38Å; Y183-G209 PolarHBondContact OH-O 3.05Å; T207-G209 PolarHBondContact O-N 3.46Å; G209-I227 WeakPolarHBondContact O-CD1 3.16Å
210E92.8Very high90.9Very high82 Ų8272.8 Ų72.838%0.38339%0.394SS..EExtended strand (participates in β ladder)trans-127161.5-178.8-72.6-171.7-149.800113.9L206 T207 A212 K218 Y223 I227L206-E210 CarbonylContact C-O 3.59Å; L206-E210 VanDerWaalsContact CA-O 3.3Å; L206-E210 WeakPolarHBondContact CA-O 3.33Å; T207-E210 PolarHBondContact N-O 3.45Å; T207-E210 PolarHBondContact O-N 3.43Å; T207-E210 VanDerWaalsContact O-N 3.1Å; E210-A212 PolarHBondContact O-N 3.41Å; E210-K218 IonicContact OE2-NZ 3.89Å; E210-K218 PolarHBondContact OE2-NZ 2.73Å; E210-Y223 WeakPolarHBondContact CA-OH 3.48Å; E210-I227 HydrophobicContact CG-CD1 4.3Å
211I92.6Very high91.4Very high6 Ų674.2 Ų74.23%0.03140%0.396CS..EExtended strand (participates in β ladder)trans-64.4128.3167.2-58.9169.5000109.2I190 V204 L206 H215 L217 K218 Y223I190-I211 HydrophobicContact CD1-CD1 3.72Å; I190-I211 HydrophobicContact CD1-CG1 3.72Å; V204-I211 HydrophobicContact CG1-CB 4.39Å; V204-I211 HydrophobicContact CG1-CG1 4.01Å; V204-I211 HydrophobicContact CG1-CG2 3.75Å; L206-I211 HydrophobicContact CD2-CG1 4.01Å; I211-H215 HydrophobicContact CB-CB 4.43Å; I211-H215 HydrophobicContact CD1-CB 4.3Å; I211-H215 HydrophobicContact CG2-CB 3.65Å; I211-L217 HydrophobicContact CD1-CB 4.32Å; I211-L217 HydrophobicContact CD1-CD2 4.21Å; I211-K218 HydrophobicContact CB-CD 4.34Å; I211-K218 PolarHBondContact O-NZ 3.46Å; I211-Y223 HydrophobicContact CD1-CE2 3.95Å; I211-Y223 HydrophobicContact CG1-CE2 4.21Å; I211-Y223 PolarHBondContact N-OH 2.82Å
212A89.7Confident91.8Very high66 Ų6672 Ų7255%0.54539%0.386SS..SBendtrans-69.5133.2176.700000111.4E210E210-A212 PolarHBondContact O-N 3.41Å
213G88.3Confident91.9Very high59 Ų5968.2 Ų68.261%0.60837%0.372SS*.SBendtrans77.4-163.117800000114.2K218G213-K218 WeakPolarHBondContact O-CD 3.38Å
214E88.5Confident91.9Very high199 Ų19971.5 Ų71.593%0.9339%0.389SS*.  trans-79.7135.8172.3-67-177.3168.200109.4
215H91.1Very high91.8Very high24 Ų2475.3 Ų75.311%0.11141%0.408CS..  trans-149.8139.5176.9-176.4-85.5000109.6F192 Y198 I211 L217 K218F192-H215 AromaticContact CE1-CE1 3.68Å; F192-H215 AromaticContact CZ-CE1 3.27Å; F192-H215 WeakPolarHBondContact CZ-CE1 3.33Å; F192-H215 AromaticContact CZ-NE2 3.52Å; Y198-H215 AromaticContact CD1-CE1 3.4Å; Y198-H215 WeakPolarHBondContact CD1-CE1 3.46Å; Y198-H215 AromaticContact CD1-NE2 3.97Å; Y198-H215 AromaticContact CE1-CE1 3.94Å; I211-H215 HydrophobicContact CB-CB 4.43Å; I211-H215 HydrophobicContact CD1-CB 4.3Å; I211-H215 HydrophobicContact CG2-CB 3.65Å; H215-L217 VanDerWaalsContact ND1-CB 3.31Å; H215-L217 WeakPolarHBondContact ND1-CB 3.09Å; H215-L217 PolarHBondContact ND1-N 3.12Å; H215-L217 VanDerWaalsContact ND1-N 3.11Å; H215-L217 PolarHBondContact O-N 2.84Å; H215-K218 HydrophobicContact CB-CG 4.24Å; H215-K218 WeakPolarHBondContact O-CB 3.46Å; H215-K218 PolarHBondContact O-N 3.12Å
216P90.9Very high91.9Very high63 Ų6368.2 Ų68.241%0.40938%0.378SS..G310 helixtrans-56-30.1-175-27.534.7000114.6Y198 K218 E219Y198-P216 HydrophobicContact CD1-CB 4.34Å; Y198-P216 HydrophobicContact CE1-CB 4.25Å; P216-K218 VanDerWaalsContact C-N 3.32Å; P216-K218 PolarHBondContact O-N 2.93Å; P216-E219 PolarHBondContact O-N 2.75Å
217L92.2Very high91.9Very high0 Ų069.4 Ų69.40%038%0.384CS..G310 helixtrans-65-33.7175.7-174.260.3000112.5I173 E180 I190 F192 Y198 I211 H215 E219 K220 Y223I173-L217 HydrophobicContact CD1-CD2 3.95Å; I173-L217 HydrophobicContact CG2-CD1 4.33Å; E180-L217 HydrophobicContact CB-CD1 3.96Å; E180-L217 HydrophobicContact CG-CD1 4.18Å; I190-L217 HydrophobicContact CD1-CD2 4.24Å; I190-L217 HydrophobicContact CG2-CD2 4.42Å; F192-L217 HydrophobicContact CE1-CB 4.36Å; F192-L217 HydrophobicContact CE1-CD2 3.75Å; Y198-L217 HydrophobicContact CE1-CB 3.94Å; I211-L217 HydrophobicContact CD1-CB 4.32Å; I211-L217 HydrophobicContact CD1-CD2 4.21Å; H215-L217 VanDerWaalsContact ND1-CB 3.31Å; H215-L217 WeakPolarHBondContact ND1-CB 3.09Å; H215-L217 PolarHBondContact ND1-N 3.12Å; H215-L217 VanDerWaalsContact ND1-N 3.11Å; H215-L217 PolarHBondContact O-N 2.84Å; L217-E219 PolarHBondContact O-N 3.5Å; L217-K220 HydrophobicContact CD1-CD 4.14Å; L217-K220 WeakPolarHBondContact O-CB 3.39Å; L217-K220 PolarHBondContact O-N 3.46Å; L217-K220 VanDerWaalsContact O-N 3.09Å; L217-Y223 HydrophobicContact CD2-CD2 3.74Å; L217-Y223 HydrophobicContact CD2-CE2 4.34Å; L217-Y223 HydrophobicContact CG-CD2 3.71Å; L217-Y223 HydrophobicContact CG-CG 4.15Å; L217-Y223 WeakPolarHBondContact O-CB 3.3Å
218K92.1Very high92.1Very high59 Ų5967.4 Ų67.426%0.25738%0.379SS..G310 helixtrans-66.6-17.9179.5-60-170.776.7158.20112.8E210 I211 G213 H215 P216 K220 Y223E210-K218 IonicContact OE2-NZ 3.89Å; E210-K218 PolarHBondContact OE2-NZ 2.73Å; I211-K218 HydrophobicContact CB-CD 4.34Å; I211-K218 PolarHBondContact O-NZ 3.46Å; G213-K218 WeakPolarHBondContact O-CD 3.38Å; H215-K218 HydrophobicContact CB-CG 4.24Å; H215-K218 WeakPolarHBondContact O-CB 3.46Å; H215-K218 PolarHBondContact O-N 3.12Å; P216-K218 VanDerWaalsContact C-N 3.32Å; P216-K218 PolarHBondContact O-N 2.93Å; K218-K220 VanDerWaalsContact C-N 3.32Å; K218-Y223 HydrophobicContact CB-CD1 4.27Å; K218-Y223 HydrophobicContact CB-CE1 4.31Å; K218-Y223 HydrophobicContact CD-CE1 4.47Å; K218-Y223 HydrophobicContact CG-CD1 4.16Å; K218-Y223 HydrophobicContact CG-CE1 3.77Å
219E90.1Very high92.4Very high172 Ų17262 Ų6280%0.80435%0.348SS*.G310 helixtrans-82.9-10.3177-57.3-178.1177.200112.8P216 L217P216-E219 PolarHBondContact O-N 2.75Å; L217-E219 PolarHBondContact O-N 3.5Å
220K92.7Very high92.6Very high67 Ų6761.3 Ų61.329%0.29134%0.341SS..SBendtrans-92.8132.3179.8-59.8-174.5178177.40109.6E180 Y198 L217 K218 I222 Y223E180-K220 HydrophobicContact CG-CD 4.35Å; E180-K220 IonicContact OE1-NZ 2.65Å; E180-K220 PolarHBondContact OE1-NZ 3.14Å; E180-K220 IonicContact OE2-NZ 2.8Å; E180-K220 PolarHBondContact OE2-NZ 3.41Å; Y198-K220 PolarHBondContact OH-NZ 2.69Å; L217-K220 HydrophobicContact CD1-CD 4.14Å; L217-K220 WeakPolarHBondContact O-CB 3.39Å; L217-K220 PolarHBondContact O-N 3.46Å; L217-K220 VanDerWaalsContact O-N 3.09Å; K218-K220 VanDerWaalsContact C-N 3.32Å; K220-I222 HydrophobicContact CB-CG2 3.93Å; K220-I222 PolarHBondContact O-N 3.19Å; K220-I222 VanDerWaalsContact O-N 3.11Å; K220-Y223 WeakPolarHBondContact O-CB 3.3Å; K220-Y223 PolarHBondContact O-N 3.33Å
221S93.1Very high92.6Very high82 Ų8262.8 Ų62.857%0.57335%0.348SS*.Hα-helixtrans-54.9-34.7178.463.40000112.9Y223 E224 D225S221-Y223 PolarHBondContact O-N 2.81Å; S221-Y223 VanDerWaalsContact O-N 3.16Å; S221-E224 WeakPolarHBondContact O-CB 3.42Å; S221-E224 PolarHBondContact O-N 2.91Å; S221-D225 VanDerWaalsContact O-CG 3.31Å; S221-D225 PolarHBondContact O-N 2.84Å
222I93.8Very high92.7Very high45 Ų4566.8 Ų66.823%0.23137%0.369CS..Hα-helixtrans-59.7-28.1179.1-158.2167.3000113.5I173 E180 K220 V226I173-I222 HydrophobicContact CG2-CG2 4.16Å; E180-I222 HydrophobicContact CG-CG2 4.21Å; K220-I222 HydrophobicContact CB-CG2 3.93Å; K220-I222 PolarHBondContact O-N 3.19Å; K220-I222 VanDerWaalsContact O-N 3.11Å; I222-V226 WeakPolarHBondContact O-CB 3.48Å; I222-V226 WeakPolarHBondContact O-CG2 3.43Å; I222-V226 PolarHBondContact O-N 2.76Å; I222-V226 VanDerWaalsContact O-N 3.13Å
223Y94.6Very high92.8Very high7 Ų764.4 Ų64.43%0.02735%0.347CS..Hα-helixtrans-72.1-45.8175.3176.4-95.1000110.7I190 E210 I211 L217 K218 K220 S221 D225 V226 I227I190-Y223 HydrophobicContact CD1-CE2 3.85Å; E210-Y223 WeakPolarHBondContact CA-OH 3.48Å; I211-Y223 HydrophobicContact CD1-CE2 3.95Å; I211-Y223 HydrophobicContact CG1-CE2 4.21Å; I211-Y223 PolarHBondContact N-OH 2.82Å; L217-Y223 HydrophobicContact CD2-CD2 3.74Å; L217-Y223 HydrophobicContact CD2-CE2 4.34Å; L217-Y223 HydrophobicContact CG-CD2 3.71Å; L217-Y223 HydrophobicContact CG-CG 4.15Å; L217-Y223 WeakPolarHBondContact O-CB 3.3Å; K218-Y223 HydrophobicContact CB-CD1 4.27Å; K218-Y223 HydrophobicContact CB-CE1 4.31Å; K218-Y223 HydrophobicContact CD-CE1 4.47Å; K218-Y223 HydrophobicContact CG-CD1 4.16Å; K218-Y223 HydrophobicContact CG-CE1 3.77Å; K220-Y223 WeakPolarHBondContact O-CB 3.3Å; K220-Y223 PolarHBondContact O-N 3.33Å; S221-Y223 PolarHBondContact O-N 2.81Å; S221-Y223 VanDerWaalsContact O-N 3.16Å; Y223-D225 VanDerWaalsContact C-N 3.31Å; Y223-D225 PolarHBondContact O-N 2.79Å; Y223-V226 PolarHBondContact O-N 3.12Å; Y223-I227 HydrophobicContact CD1-CG1 4.19Å; Y223-I227 HydrophobicContact CE1-CD1 4.3Å; Y223-I227 HydrophobicContact CE1-CG1 3.74Å; Y223-I227 HydrophobicContact CE2-CD1 4.16Å; Y223-I227 HydrophobicContact CE2-CG1 4.28Å; Y223-I227 WeakPolarHBondContact O-CG1 3.38Å; Y223-I227 PolarHBondContact O-N 3.13Å
224E93.4Very high92.9Very high134 Ų13466.2 Ų66.263%0.62634%0.336SS*.Hα-helixtrans-59.9-43.5176.4-63.1-178.3164.700111.1S221 V226 I227 G228S221-E224 WeakPolarHBondContact O-CB 3.42Å; S221-E224 PolarHBondContact O-N 2.91Å; E224-V226 PolarHBondContact O-N 2.81Å; E224-I227 PolarHBondContact O-N 2.77Å; E224-G228 PolarHBondContact O-N 2.91Å; E224-G228 VanDerWaalsContact O-N 3.14Å
225D94Very high93Very high95 Ų9564 Ų6451%0.50833%0.325SS..Hα-helixtrans-58-49.1176.1-63.7-31000110.9S221 Y223 I227 G228 E229S221-D225 VanDerWaalsContact O-CG 3.31Å; S221-D225 PolarHBondContact O-N 2.84Å; Y223-D225 VanDerWaalsContact C-N 3.31Å; Y223-D225 PolarHBondContact O-N 2.79Å; D225-I227 PolarHBondContact O-N 2.96Å; D225-G228 PolarHBondContact O-N 3.32Å; D225-E229 WeakPolarHBondContact O-CG 3.33Å; D225-E229 PolarHBondContact O-N 3.29Å
226V95.7Very high92.9Very high4 Ų466.5 Ų66.52%0.02435%0.351CS..Hα-helixtrans-65.1-38.1-179.9167.40000112.7I173 I222 Y223 E224 G228 E229 V230I173-V226 HydrophobicContact CB-CG2 4.47Å; I173-V226 HydrophobicContact CG1-CG1 4.21Å; I173-V226 HydrophobicContact CG1-CG2 4.47Å; I173-V226 HydrophobicContact CG2-CG2 4.27Å; I222-V226 WeakPolarHBondContact O-CB 3.48Å; I222-V226 WeakPolarHBondContact O-CG2 3.43Å; I222-V226 PolarHBondContact O-N 2.76Å; I222-V226 VanDerWaalsContact O-N 3.13Å; Y223-V226 PolarHBondContact O-N 3.12Å; E224-V226 PolarHBondContact O-N 2.81Å; V226-G228 VanDerWaalsContact C-N 3.3Å; V226-G228 PolarHBondContact O-N 3.17Å; V226-E229 PolarHBondContact O-N 2.84Å; V226-V230 HydrophobicContact CG1-CG2 4.07Å; V226-V230 WeakPolarHBondContact O-CB 3.49Å; V226-V230 VanDerWaalsContact O-CG2 3.29Å; V226-V230 WeakPolarHBondContact O-CG2 3.42Å; V226-V230 PolarHBondContact O-N 3.46Å
227I95Very high92.8Very high31 Ų3165 Ų6516%0.15935%0.346CS..Hα-helixtrans-60.6-44.7175.3-66.6-59.3000110Y183 G209 E210 Y223 E224 D225 V230 E231Y183-I227 HydrophobicContact CD2-CD1 4.23Å; Y183-I227 HydrophobicContact CE2-CD1 3.7Å; G209-I227 WeakPolarHBondContact O-CD1 3.16Å; E210-I227 HydrophobicContact CG-CD1 4.3Å; Y223-I227 HydrophobicContact CD1-CG1 4.19Å; Y223-I227 HydrophobicContact CE1-CD1 4.3Å; Y223-I227 HydrophobicContact CE1-CG1 3.74Å; Y223-I227 HydrophobicContact CE2-CD1 4.16Å; Y223-I227 HydrophobicContact CE2-CG1 4.28Å; Y223-I227 WeakPolarHBondContact O-CG1 3.38Å; Y223-I227 PolarHBondContact O-N 3.13Å; E224-I227 PolarHBondContact O-N 2.77Å; D225-I227 PolarHBondContact O-N 2.96Å; I227-V230 PolarHBondContact O-N 2.98Å; I227-E231 WeakPolarHBondContact O-CB 3.47Å; I227-E231 PolarHBondContact O-N 3.31Å
228G94.5Very high92.8Very high37 Ų3767.1 Ų67.138%0.38136%0.358SS..Hα-helixtrans-63.2-40.5175.400000113.2E224 D225 V226 E231 L232E224-G228 PolarHBondContact O-N 2.91Å; E224-G228 VanDerWaalsContact O-N 3.14Å; D225-G228 PolarHBondContact O-N 3.32Å; V226-G228 VanDerWaalsContact C-N 3.3Å; V226-G228 PolarHBondContact O-N 3.17Å; G228-E231 PolarHBondContact O-N 2.94Å; G228-L232 WeakPolarHBondContact O-CB 3.31Å; G228-L232 PolarHBondContact O-N 3.35Å
229E95Very high92.9Very high54 Ų5470.3 Ų70.325%0.25237%0.374SS..Hα-helixtrans-65.6-43.7176-72.4175.217600112.3W171 D225 V226 L232 V233W171-E229 HydrophobicContact CZ2-CB 4.37Å; W171-E229 PolarHBondContact NE1-OE2 2.86Å; D225-E229 WeakPolarHBondContact O-CG 3.33Å; D225-E229 PolarHBondContact O-N 3.29Å; V226-E229 PolarHBondContact O-N 2.84Å; E229-L232 WeakPolarHBondContact O-CB 3.27Å; E229-L232 PolarHBondContact O-N 2.62Å; E229-V233 WeakPolarHBondContact O-CG2 3.41Å; E229-V233 PolarHBondContact O-N 3.09Å
230V94.9Very high93.1Very high2 Ų266 Ų661%0.01235%0.352CS..Hα-helixtrans-65.1-40.5177.3170.10000110.9W171 Y183 I185 V226 I227 V233 R234W171-V230 HydrophobicContact CB-CG2 3.88Å; W171-V230 HydrophobicContact CG-CG2 4.02Å; Y183-V230 HydrophobicContact CD1-CG1 4.23Å; Y183-V230 HydrophobicContact CD1-CG2 4.04Å; Y183-V230 HydrophobicContact CE1-CG1 3.76Å; Y183-V230 HydrophobicContact CE1-CG2 4.36Å; Y183-V230 HydrophobicContact CG-CG2 4.15Å; I185-V230 HydrophobicContact CD1-CG1 4.28Å; I185-V230 HydrophobicContact CG1-CG1 4.25Å; V226-V230 HydrophobicContact CG1-CG2 4.07Å; V226-V230 WeakPolarHBondContact O-CB 3.49Å; V226-V230 VanDerWaalsContact O-CG2 3.29Å; V226-V230 WeakPolarHBondContact O-CG2 3.42Å; V226-V230 PolarHBondContact O-N 3.46Å; I227-V230 PolarHBondContact O-N 2.98Å; V230-V233 PolarHBondContact O-N 3.41Å; V230-R234 WeakPolarHBondContact O-CB 3.35Å; V230-R234 VanDerWaalsContact O-CG 3.26Å; V230-R234 WeakPolarHBondContact O-CG 3.35Å; V230-R234 PolarHBondContact O-N 3.34Å
231E93.3Very high93.3Very high112 Ų11265.4 Ų65.452%0.52335%0.352SS..Hα-helixtrans-61.2-46.8173-172.5172.7-15700110.9I227 G228 V233 R234 E235I227-E231 WeakPolarHBondContact O-CB 3.47Å; I227-E231 PolarHBondContact O-N 3.31Å; G228-E231 PolarHBondContact O-N 2.94Å; E231-V233 PolarHBondContact O-N 2.95Å; E231-R234 PolarHBondContact O-N 3.15Å; E231-E235 WeakPolarHBondContact O-CG 3.49Å; E231-E235 PolarHBondContact O-N 3.43Å
232L92.9Very high93.3Very high90 Ų9065.3 Ų65.347%0.47135%0.345SS..Hα-helixtrans-57.4-47.8176.3177.665.5000112G228 E229 R234 E235 A236G228-L232 WeakPolarHBondContact O-CB 3.31Å; G228-L232 PolarHBondContact O-N 3.35Å; E229-L232 WeakPolarHBondContact O-CB 3.27Å; E229-L232 PolarHBondContact O-N 2.62Å; L232-R234 VanDerWaalsContact C-N 3.32Å; L232-R234 PolarHBondContact O-N 2.79Å; L232-E235 PolarHBondContact O-N 3.43Å; L232-A236 HydrophobicContact CD1-CB 4.07Å; L232-A236 WeakPolarHBondContact O-CB 3.48Å; L232-A236 PolarHBondContact O-N 2.67Å
233V92.4Very high93.4Very high16 Ų1669.9 Ų69.910%0.09737%0.365CS..Hα-helixtrans-68.4-33.8-179.4179.40000111.5L152 P168 W171 E229 V230 E231 G237L152-V233 HydrophobicContact CD2-CG2 3.84Å; P168-V233 HydrophobicContact CG-CB 4.4Å; P168-V233 HydrophobicContact CG-CG1 3.38Å; W171-V233 HydrophobicContact CH2-CG2 4.05Å; W171-V233 HydrophobicContact CZ3-CG2 4.21Å; E229-V233 WeakPolarHBondContact O-CG2 3.41Å; E229-V233 PolarHBondContact O-N 3.09Å; V230-V233 PolarHBondContact O-N 3.41Å; E231-V233 PolarHBondContact O-N 2.95Å; V233-G237 WeakPolarHBondContact O-CA 3.22Å; V233-G237 PolarHBondContact O-N 2.86Å
234R89.9Confident93.4Very high98 Ų9872 Ų7237%0.3738%0.375SS..Hα-helixtrans-65.9-38.1174.4-77.1173.9171.2-179.1-2.1112.7V230 E231 L232 Q239V230-R234 WeakPolarHBondContact O-CB 3.35Å; V230-R234 VanDerWaalsContact O-CG 3.26Å; V230-R234 WeakPolarHBondContact O-CG 3.35Å; V230-R234 PolarHBondContact O-N 3.34Å; E231-R234 PolarHBondContact O-N 3.15Å; L232-R234 VanDerWaalsContact C-N 3.32Å; L232-R234 PolarHBondContact O-N 2.79Å; R234-Q239 PolarHBondContact O-NE2 3.23Å; R234-Q239 VanDerWaalsContact O-NE2 3.16Å
235E90.6Very high93.5Very high151 Ų15165.6 Ų65.671%0.70635%0.345SS*.Hα-helixtrans-85.6-41-176.8-69.3-166.2157.900113.9E231 L232E231-E235 WeakPolarHBondContact O-CG 3.49Å; E231-E235 PolarHBondContact O-N 3.43Å; L232-E235 PolarHBondContact O-N 3.43Å
236A89.8Confident93.5Very high78 Ų7864.8 Ų64.865%0.64534%0.338SS*.Hα-helixtrans-107.8-16.3-171.600000114L232L232-A236 HydrophobicContact CD1-CB 4.07Å; L232-A236 WeakPolarHBondContact O-CB 3.48Å; L232-A236 PolarHBondContact O-N 2.67Å
237G89.7Confident93.3Very high30 Ų3071 Ų7131%0.30936%0.361SS..SBendtrans-82.8177.7178.200000113.7V233V233-G237 WeakPolarHBondContact O-CA 3.22Å; V233-G237 PolarHBondContact O-N 2.86Å
238D92Very high93.1Very high45 Ų4569.6 Ų69.624%0.24135%0.354CS..PPolyproline II helixtrans-61144.2174.5-75.9-49.3000111.6E165 S166 Y167E165-D238 WeakPolarHBondContact CA-OD2 3.27Å; E165-D238 HydrophobicContact CB-CB 4.38Å; E165-D238 WeakPolarHBondContact CB-OD2 3.35Å; E165-D238 WeakPolarHBondContact CG-OD2 3.35Å; S166-D238 PolarHBondContact N-OD2 2.89Å; Y167-D238 VanDerWaalsContact CD2-O 3.23Å; Y167-D238 WeakPolarHBondContact CD2-O 3.36Å
239Q93.5Very high93.1Very high127 Ų12771.2 Ų71.259%0.59335%0.354SS*.PPolyproline II helixtrans-83.7138.7175.8-63.4-62.8-55.500110.4R234 N241 Q250R234-Q239 PolarHBondContact O-NE2 3.23Å; R234-Q239 VanDerWaalsContact O-NE2 3.16Å; Q239-N241 PolarHBondContact O-N 2.76Å; Q239-Q250 PolarHBondContact O-NE2 3.28Å
240F94.6Very high93.2Very high81 Ų8168.6 Ų68.636%0.35534%0.342SS..PPolyproline II helixtrans-54.9124.6177.2177.6-97.4000111.1Y167 M169 L242 I245 L274Y167-F240 HydrophobicContact CD1-CB 4.33Å; Y167-F240 AromaticContact CD1-CD2 3.83Å; Y167-F240 HydrophobicContact CD1-CD2 3.83Å; Y167-F240 HydrophobicContact CD2-CB 4.06Å; Y167-F240 HydrophobicContact CE1-CB 3.96Å; Y167-F240 AromaticContact CE1-CD2 3.82Å; Y167-F240 HydrophobicContact CE1-CD2 3.82Å; Y167-F240 HydrophobicContact CE1-CG 4.32Å; Y167-F240 HydrophobicContact CE2-CB 3.69Å; Y167-F240 HydrophobicContact CG-CB 4.36Å; Y167-F240 HydrophobicContact CG-CD2 4.36Å; M169-F240 HydrophobicContact CE-CE2 4.31Å; M169-F240 HydrophobicContact SD-CD2 4.29Å; M169-F240 HydrophobicContact SD-CE2 4.2Å; F240-L242 HydrophobicContact CE1-CB 4.34Å; F240-L242 HydrophobicContact CZ-CB 4.48Å; F240-I245 HydrophobicContact CD2-CD1 4.12Å; F240-I245 HydrophobicContact CE2-CD1 3.55Å; F240-I245 HydrophobicContact CZ-CD1 4.08Å; F240-L274 HydrophobicContact CE2-CD1 4.13Å; F240-L274 HydrophobicContact CZ-CD1 4.33Å; F240-L274 HydrophobicContact CZ-CD2 4.08Å
241N95.8Very high93.3Very high54 Ų5468.5 Ų68.529%0.28934%0.341SS..  trans-141.7104.5178.7-170.3-47.3000111.8Q239 E243 K244 I245Q239-N241 PolarHBondContact O-N 2.76Å; N241-E243 VanDerWaalsContact C-N 3.27Å; N241-E243 PolarHBondContact O-N 2.89Å; N241-E243 WeakPolarHBondContact OD1-CA 3.44Å; N241-E243 WeakPolarHBondContact OD1-CB 3.3Å; N241-E243 PolarHBondContact OD1-N 2.66Å; N241-K244 HydrophobicContact CB-CB 4.05Å; N241-K244 HydrophobicContact CB-CD 4Å; N241-K244 HydrophobicContact CB-CG 3.89Å; N241-K244 PolarHBondContact O-N 3.21Å; N241-K244 VanDerWaalsContact O-N 3.07Å; N241-K244 PolarHBondContact OD1-N 2.86Å; N241-I245 WeakPolarHBondContact O-CG1 3.42Å; N241-I245 PolarHBondContact O-N 3.29Å
242L94.4Very high93.5Very high80 Ų8063.2 Ų63.242%0.41932%0.316SS..Hα-helixtrans-58.2-35.8179-17561.3000113.2F240 K244 I245 Q246 L274F240-L242 HydrophobicContact CE1-CB 4.34Å; F240-L242 HydrophobicContact CZ-CB 4.48Å; L242-K244 VanDerWaalsContact C-N 3.35Å; L242-I245 PolarHBondContact O-N 3.21Å; L242-Q246 HydrophobicContact CD1-CG 4.29Å; L242-Q246 HydrophobicContact CG-CG 4.33Å; L242-Q246 WeakPolarHBondContact O-CB 3.47Å; L242-Q246 WeakPolarHBondContact O-CG 3.38Å; L242-Q246 PolarHBondContact O-N 3.5Å; L242-L274 HydrophobicContact CD1-CD2 4.17Å
243E95Very high93.8Very high141 Ų14158.9 Ų58.966%0.65929%0.294SS*.Hα-helixtrans-69.9-31.6178.2-61-177.9170.800112.5N241 R247N241-E243 VanDerWaalsContact C-N 3.27Å; N241-E243 PolarHBondContact O-N 2.89Å; N241-E243 WeakPolarHBondContact OD1-CA 3.44Å; N241-E243 WeakPolarHBondContact OD1-CB 3.3Å; N241-E243 PolarHBondContact OD1-N 2.66Å; E243-R247 WeakPolarHBondContact O-CG 3.17Å; E243-R247 PolarHBondContact O-N 3.48Å; E243-R247 PolarHBondContact O-NE 2.98Å
244K95.2Very high94.1Very high52 Ų5258.2 Ų58.223%0.22629%0.289CS..Hα-helixtrans-70.7-42172.3-68.4-172-171.4-178.90110.9E165 N241 L242 Q246 R247 G248 D249 Q250E165-K244 IonicContact OE1-NZ 2.89Å; E165-K244 PolarHBondContact OE1-NZ 3.04Å; E165-K244 WeakPolarHBondContact OE2-CD 3.41Å; E165-K244 WeakPolarHBondContact OE2-CE 3.39Å; E165-K244 IonicContact OE2-NZ 2.78Å; E165-K244 PolarHBondContact OE2-NZ 3.5Å; N241-K244 HydrophobicContact CB-CB 4.05Å; N241-K244 HydrophobicContact CB-CD 4Å; N241-K244 HydrophobicContact CB-CG 3.89Å; N241-K244 PolarHBondContact O-N 3.21Å; N241-K244 VanDerWaalsContact O-N 3.07Å; N241-K244 PolarHBondContact OD1-N 2.86Å; L242-K244 VanDerWaalsContact C-N 3.35Å; K244-Q246 VanDerWaalsContact C-N 3.35Å; K244-Q246 PolarHBondContact O-N 3.23Å; K244-R247 PolarHBondContact O-N 3.1Å; K244-R247 VanDerWaalsContact O-N 3.16Å; K244-G248 PolarHBondContact O-N 3.1Å; K244-G248 VanDerWaalsContact O-N 3.09Å; K244-D249 HydrophobicContact CB-CB 4.18Å; K244-D249 PolarHBondContact O-N 3Å; K244-Q250 HydrophobicContact CB-CB 3.63Å; K244-Q250 HydrophobicContact CD-CB 4.44Å; K244-Q250 PolarHBondContact O-N 2.9Å
245I95.6Very high94.5Very high0 Ų053.6 Ų53.60%027%0.272CS..Hα-helixtrans-58.1-48.3174.9-63.5163.9000110.5P136 F138 F240 N241 L242 R247 G248 Q250 P252P136-I245 VanDerWaalsContact CB-O 3.29Å; P136-I245 WeakPolarHBondContact CB-O 3.28Å; F138-I245 HydrophobicContact CZ-CG2 4.18Å; F240-I245 HydrophobicContact CD2-CD1 4.12Å; F240-I245 HydrophobicContact CE2-CD1 3.55Å; F240-I245 HydrophobicContact CZ-CD1 4.08Å; N241-I245 WeakPolarHBondContact O-CG1 3.42Å; N241-I245 PolarHBondContact O-N 3.29Å; L242-I245 PolarHBondContact O-N 3.21Å; I245-R247 PolarHBondContact O-N 3.27Å; I245-G248 PolarHBondContact O-N 2.87Å; I245-Q250 WeakPolarHBondContact CA-O 3.45Å; I245-Q250 HydrophobicContact CG1-CB 4.22Å; I245-Q250 HydrophobicContact CG1-CG 4.34Å; I245-P252 HydrophobicContact CD1-CG 3.58Å; I245-P252 HydrophobicContact CG1-CG 3.84Å; I245-P252 HydrophobicContact CG2-CG 3.94Å
246Q93.2Very high94.8Very high77 Ų7746.4 Ų46.436%0.3624%0.238SC..Hα-helixtrans-65.7-17.1-179.7-69.8-73.3-3600113.9P136 L242 K244 L274P136-Q246 WeakPolarHBondContact CG-O 3.49Å; L242-Q246 HydrophobicContact CD1-CG 4.29Å; L242-Q246 HydrophobicContact CG-CG 4.33Å; L242-Q246 WeakPolarHBondContact O-CB 3.47Å; L242-Q246 WeakPolarHBondContact O-CG 3.38Å; L242-Q246 PolarHBondContact O-N 3.5Å; K244-Q246 VanDerWaalsContact C-N 3.35Å; K244-Q246 PolarHBondContact O-N 3.23Å; Q246-L274 PolarHBondContact NE2-O 2.83Å; Q246-L274 VanDerWaalsContact NE2-O 3.11Å
247R91.3Very high95.2Very high136 Ų13642.7 Ų42.751%0.51321%0.208SC..Hα-helixtrans-98.3-8.1173.8-70.5-178.8-70.4151.9-4.7113.5E243 K244 I245 D249E243-R247 WeakPolarHBondContact O-CG 3.17Å; E243-R247 PolarHBondContact O-N 3.48Å; E243-R247 PolarHBondContact O-NE 2.98Å; K244-R247 PolarHBondContact O-N 3.1Å; K244-R247 VanDerWaalsContact O-N 3.16Å; I245-R247 PolarHBondContact O-N 3.27Å; R247-D249 IonicContact CZ-OD2 2.62Å; R247-D249 IonicContact NE-OD2 3.04Å; R247-D249 IonicContact NH1-OD2 3.59Å
248G92.5Very high95.4Very high1 Ų141.3 Ų41.31%0.0119%0.193CC..THydrogen-bonded Turntrans78.517.1-174.700000114.3I164 K244 I245I164-G248 WeakPolarHBondContact CD1-O 3.05Å; K244-G248 PolarHBondContact O-N 3.1Å; K244-G248 VanDerWaalsContact O-N 3.09Å; I245-G248 PolarHBondContact O-N 2.87Å
249D93.9Very high95.4Very high70 Ų7043.8 Ų43.837%0.37421%0.206SC..SBendtrans-89.4-18.3179.5-64.7-30.8000112.7I164 E165 K244 R247I164-D249 WeakPolarHBondContact CG1-O 3.49Å; E165-D249 PolarHBondContact N-O 3.12Å; E165-D249 VanDerWaalsContact N-O 3.11Å; K244-D249 HydrophobicContact CB-CB 4.18Å; K244-D249 PolarHBondContact O-N 3Å; R247-D249 IonicContact CZ-OD2 2.62Å; R247-D249 IonicContact NE-OD2 3.04Å; R247-D249 IonicContact NH1-OD2 3.59Å
250Q96.1Very high95.3Very high0 Ų040.3 Ų40.30%019%0.193CC..EExtended strand (participates in β ladder)trans-134136.5175.4-176.8177.182.200109.6E165 Q239 K244 I245E165-Q250 HydrophobicContact CB-CB 3.92Å; E165-Q250 HydrophobicContact CB-CG 3.86Å; E165-Q250 CarbonylContact O-C 3.55Å; E165-Q250 VanDerWaalsContact O-CA 3.3Å; E165-Q250 WeakPolarHBondContact O-CA 3.07Å; E165-Q250 PolarHBondContact OE2-NE2 3.4Å; E165-Q250 VanDerWaalsContact OE2-NE2 3.16Å; Q239-Q250 PolarHBondContact O-NE2 3.28Å; K244-Q250 HydrophobicContact CB-CB 3.63Å; K244-Q250 HydrophobicContact CD-CB 4.44Å; K244-Q250 PolarHBondContact O-N 2.9Å; I245-Q250 WeakPolarHBondContact CA-O 3.45Å; I245-Q250 HydrophobicContact CG1-CB 4.22Å; I245-Q250 HydrophobicContact CG1-CG 4.34Å
251T97.6Very high95.2Very high0 Ų038.4 Ų38.40%019%0.187CC..EExtended strand (participates in β ladder)trans-110.1122.9177.1-171.60000111.6I137 T139 I164 E165 Y167 V253I137-T251 WeakPolarHBondContact O-CA 3.16Å; I137-T251 WeakPolarHBondContact O-CB 3.09Å; I137-T251 PolarHBondContact O-OG1 2.85Å; T139-T251 PolarHBondContact N-OG1 2.8Å; T139-T251 PolarHBondContact OG1-OG1 3.34Å; I164-T251 HydrophobicContact CD1-CG2 4.07Å; I164-T251 HydrophobicContact CG1-CG2 4.36Å; I164-T251 HydrophobicContact CG2-CG2 4.18Å; E165-T251 PolarHBondContact O-N 2.91Å; Y167-T251 PolarHBondContact N-O 3.29Å; T251-V253 HydrophobicContact CG2-CG2 4.15Å; T251-V253 PolarHBondContact O-N 3.13Å
252P98Very high95.2Very high0 Ų036.3 Ų36.30%018%0.175CC..EExtended strand (participates in β ladder)trans-67.4123.4167.7-21.936.3000109.7I137 F138 T139 Y167 M169 I245 F254I137-P252 VanDerWaalsContact O-CD 3.27Å; I137-P252 WeakPolarHBondContact O-CD 2.83Å; F138-P252 HydrophobicContact CD1-CB 4.01Å; F138-P252 HydrophobicContact CD1-CG 3.87Å; F138-P252 HydrophobicContact CE1-CB 4.34Å; F138-P252 HydrophobicContact CE1-CG 3.86Å; T139-P252 PolarHBondContact N-O 2.87Å; Y167-P252 CarbonylContact O-C 3.41Å; Y167-P252 WeakPolarHBondContact O-CA 3.15Å; M169-P252 HydrophobicContact CG-CB 3.53Å; M169-P252 HydrophobicContact SD-CB 4.02Å; I245-P252 HydrophobicContact CD1-CG 3.58Å; I245-P252 HydrophobicContact CG1-CG 3.84Å; I245-P252 HydrophobicContact CG2-CG 3.94Å; P252-F254 HydrophobicContact CB-CE2 3.86Å; P252-F254 HydrophobicContact CB-CZ 4.45Å
253V98.3Very high95.2Very high0 Ų032.5 Ų32.50%016%0.155CC..EExtended strand (participates in β ladder)trans-104.3131.7-176.9-173.60000110.4T139 I141 L155 L158 Y167 P168 M169 T251 F255T139-V253 HydrophobicContact CG2-CG1 4.32Å; T139-V253 CarbonylContact O-C 3.58Å; T139-V253 WeakPolarHBondContact O-CA 2.98Å; I141-V253 HydrophobicContact CD1-CG1 4.47Å; I141-V253 HydrophobicContact CG1-CG1 3.84Å; L155-V253 HydrophobicContact CD2-CB 3.98Å; L155-V253 HydrophobicContact CD2-CG1 3.79Å; L155-V253 HydrophobicContact CD2-CG2 3.77Å; L158-V253 HydrophobicContact CD1-CG2 4.09Å; Y167-V253 PolarHBondContact O-N 3.05Å; P168-V253 WeakPolarHBondContact CA-O 3.47Å; M169-V253 PolarHBondContact N-O 3.1Å; T251-V253 HydrophobicContact CG2-CG2 4.15Å; T251-V253 PolarHBondContact O-N 3.13Å; V253-F255 HydrophobicContact CG1-CD2 4.44Å; V253-F255 HydrophobicContact CG1-CE2 3.88Å; V253-F255 HydrophobicContact CG1-CZ 4.16Å
254F98.6Very high95.2Very high1 Ų125.8 Ų25.80%0.00412%0.124CC..EExtended strand (participates in β ladder)trans-125.8141.7177.1-59.1-100.5000109.3F138 T139 F140 I141 M169 N170 P252 F267 T270F138-F254 HydrophobicContact CD1-CE2 4.21Å; T139-F254 PolarHBondContact O-N 2.89Å; F140-F254 CarbonylContact C-O 3.57Å; F140-F254 WeakPolarHBondContact CA-O 3.31Å; F140-F254 HydrophobicContact CD2-CB 3.98Å; I141-F254 PolarHBondContact N-O 3.23Å; M169-F254 HydrophobicContact CB-CD1 3.79Å; M169-F254 HydrophobicContact CB-CD2 4.48Å; M169-F254 HydrophobicContact CB-CE1 3.42Å; M169-F254 VanDerWaalsContact CB-CE1 3.42Å; M169-F254 HydrophobicContact CB-CE2 4.17Å; M169-F254 HydrophobicContact CB-CG 4.32Å; M169-F254 HydrophobicContact CB-CZ 3.65Å; M169-F254 HydrophobicContact CG-CD1 4.48Å; M169-F254 HydrophobicContact CG-CD2 4.43Å; M169-F254 HydrophobicContact CG-CE1 3.88Å; M169-F254 HydrophobicContact CG-CE2 3.82Å; M169-F254 HydrophobicContact CG-CZ 3.52Å; N170-F254 VanDerWaalsContact OD1-CA 3.31Å; N170-F254 WeakPolarHBondContact OD1-CA 3.25Å; P252-F254 HydrophobicContact CB-CE2 3.86Å; P252-F254 HydrophobicContact CB-CZ 4.45Å; F254-F267 HydrophobicContact CB-CB 4.49Å; F254-F267 HydrophobicContact CB-CD2 4.09Å; F254-F267 HydrophobicContact CD1-CB 4.11Å; F254-F267 AromaticContact CD1-CD2 3.97Å; F254-F267 HydrophobicContact CD1-CD2 3.97Å; F254-F267 AromaticContact CD2-CD2 3.52Å; F254-F267 HydrophobicContact CD2-CD2 3.52Å; F254-F267 AromaticContact CD2-CE2 3.95Å; F254-F267 HydrophobicContact CD2-CE2 3.95Å; F254-F267 HydrophobicContact CE1-CD2 4.21Å; F254-F267 AromaticContact CE2-CD2 3.79Å; F254-F267 HydrophobicContact CE2-CD2 3.79Å; F254-F267 HydrophobicContact CE2-CE2 4.05Å; F254-F267 HydrophobicContact CG-CB 4.33Å; F254-F267 AromaticContact CG-CD2 3.6Å; F254-F267 HydrophobicContact CG-CD2 3.6Å; F254-F267 HydrophobicContact CG-CE2 4.46Å; F254-F267 HydrophobicContact CG-CG 4.45Å; F254-F267 HydrophobicContact CZ-CD2 4.11Å; F254-T270 HydrophobicContact CE1-CG2 3.8Å; F254-T270 HydrophobicContact CZ-CG2 3.6Å
255F98.5Very high95.1Very high2 Ų225.1 Ų25.11%0.00912%0.122CC..EExtended strand (participates in β ladder)trans-109.8144173-61.2-99.8000109.5I141 L144 P151 L154 L155 N170 W171 P172 I182 V253I141-F255 HydrophobicContact CB-CD1 3.52Å; I141-F255 HydrophobicContact CB-CE1 3.85Å; I141-F255 HydrophobicContact CB-CG 4.13Å; I141-F255 HydrophobicContact CG1-CD1 3.88Å; I141-F255 HydrophobicContact CG1-CE1 3.7Å; I141-F255 HydrophobicContact CG1-CG 4.45Å; I141-F255 HydrophobicContact CG1-CZ 4.13Å; I141-F255 HydrophobicContact CG2-CD1 3.6Å; I141-F255 HydrophobicContact CG2-CE1 3.82Å; I141-F255 WeakPolarHBondContact O-CA 3.17Å; L144-F255 HydrophobicContact CD1-CB 3.84Å; L144-F255 HydrophobicContact CD2-CB 4.28Å; L144-F255 HydrophobicContact CD2-CD1 4.34Å; L144-F255 HydrophobicContact CG-CB 4.28Å; P151-F255 HydrophobicContact CB-CE1 3.82Å; P151-F255 HydrophobicContact CB-CZ 3.8Å; P151-F255 HydrophobicContact CG-CE1 4.44Å; L154-F255 HydrophobicContact CD1-CE1 4.31Å; L155-F255 HydrophobicContact CD2-CZ 4.42Å; N170-F255 PolarHBondContact ND2-O 3.05Å; N170-F255 WeakPolarHBondContact O-CD2 3.32Å; N170-F255 PolarHBondContact OD1-N 3.14Å; W171-F255 HydrophobicContact CE3-CE2 4.04Å; W171-F255 HydrophobicContact CZ3-CE2 4.18Å; W171-F255 HydrophobicContact CZ3-CZ 4.36Å; P172-F255 HydrophobicContact CB-CB 4.27Å; P172-F255 HydrophobicContact CG-CB 4.31Å; P172-F255 HydrophobicContact CG-CD1 4.02Å; P172-F255 HydrophobicContact CG-CE1 4.49Å; P172-F255 HydrophobicContact CG-CG 4.08Å; I182-F255 WeakPolarHBondContact CD1-O 3.49Å; V253-F255 HydrophobicContact CG1-CD2 4.44Å; V253-F255 HydrophobicContact CG1-CE2 3.88Å; V253-F255 HydrophobicContact CG1-CZ 4.16Å
256G98Very high95.1Very high0 Ų025.1 Ų25.10%012%0.122CC..  trans-178.8-172.4177.600000114.3I141 N142 K143 L144 F262I141-G256 PolarHBondContact O-N 3.38Å; N142-G256 CarbonylContact C-O 3.57Å; N142-G256 WeakPolarHBondContact CA-O 3.37Å; K143-G256 PolarHBondContact N-O 2.8Å; K143-G256 VanDerWaalsContact N-O 3.11Å; L144-G256 WeakPolarHBondContact CG-O 3.41Å; L144-G256 PolarHBondContact N-O 2.67Å; L144-G256 VanDerWaalsContact N-O 3.11Å; G256-F262 WeakPolarHBondContact CA-O 3.45Å
257S97Very high95.3Very high0 Ų021.5 Ų21.50%011%0.105CC..BIsolated β-bridgetrans-133.4108.7169.5176.50000111D145 L259 T260 N261 F262D145-S257 WeakPolarHBondContact OD1-CB 3.18Å; D145-S257 PolarHBondContact OD1-OG 2.83Å; S257-L259 PolarHBondContact O-N 2.97Å; S257-L259 PolarHBondContact OG-N 2.76Å; S257-T260 VanDerWaalsContact CB-OG1 3.26Å; S257-T260 WeakPolarHBondContact CB-OG1 3.39Å; S257-T260 PolarHBondContact O-N 2.77Å; S257-T260 PolarHBondContact O-OG1 2.68Å; S257-T260 PolarHBondContact OG-N 3.22Å; S257-T260 PolarHBondContact OG-OG1 3.47Å; S257-N261 PolarHBondContact O-N 3.19Å; S257-N261 VanDerWaalsContact O-N 3.07Å; S257-F262 PolarHBondContact N-O 3.44Å; S257-F262 PolarHBondContact O-N 2.83Å
258A94.2Very high95.5Very high0 Ų015 Ų150%08%0.08CC..THydrogen-bonded Turntrans-63.8-27.3172.900000112.2T28 I29 Q32 N142 T260T28-A258 HydrophobicContact CG2-CB 3.95Å; T28-A258 WeakPolarHBondContact CG2-O 3.46Å; I29-A258 HydrophobicContact CB-CB 3.76Å; I29-A258 HydrophobicContact CG1-CB 4.31Å; Q32-A258 WeakPolarHBondContact CG-O 3.44Å; Q32-A258 PolarHBondContact NE2-O 2.9Å; N142-A258 WeakPolarHBondContact OD1-CB 3.41Å; N142-A258 PolarHBondContact OD1-N 3.49Å; A258-T260 VanDerWaalsContact C-N 3.35Å
259L92.4Very high95.6Very high98 Ų9816.3 Ų16.351%0.5139%0.086SC..THydrogen-bonded Turntrans-66.1-41179.8-179.163.2000111.3S257S257-L259 PolarHBondContact O-N 2.97Å; S257-L259 PolarHBondContact OG-N 2.76Å
260T91.7Very high95.7Very high54 Ų5413 Ų1333%0.3317%0.068SC..THydrogen-bonded Turntrans-98.55.4-177.2620000112.7D145 Y193 S257 A258 F262D145-T260 HydrophobicContact CB-CG2 4.01Å; Y193-T260 HydrophobicContact CE2-CG2 4.15Å; Y193-T260 WeakPolarHBondContact CE2-OG1 3.06Å; Y193-T260 WeakPolarHBondContact OH-CG2 3.24Å; S257-T260 VanDerWaalsContact CB-OG1 3.26Å; S257-T260 WeakPolarHBondContact CB-OG1 3.39Å; S257-T260 PolarHBondContact O-N 2.77Å; S257-T260 PolarHBondContact O-OG1 2.68Å; S257-T260 PolarHBondContact OG-N 3.22Å; S257-T260 PolarHBondContact OG-OG1 3.47Å; A258-T260 VanDerWaalsContact C-N 3.35Å; T260-F262 VanDerWaalsContact C-N 3.28Å; T260-F262 PolarHBondContact O-N 3.31Å; T260-F262 WeakPolarHBondContact OG1-CB 3.48Å
261N91.6Very high95.7Very high41 Ų4113 Ų1322%0.2197%0.068CC..THydrogen-bonded Turntrans56.138-174.8-160.339000113.8Q32 F36 S257Q32-N261 WeakPolarHBondContact CB-OD1 3.48Å; Q32-N261 HydrophobicContact CG-CB 4.41Å; Q32-N261 WeakPolarHBondContact CG-OD1 3.39Å; Q32-N261 PolarHBondContact OE1-OD1 3.06Å; F36-N261 WeakPolarHBondContact CE2-OD1 2.95Å; F36-N261 WeakPolarHBondContact CZ-ND2 3.28Å; S257-N261 PolarHBondContact O-N 3.19Å; S257-N261 VanDerWaalsContact O-N 3.07Å
262F95.4Very high95.6Very high9 Ų913 Ų134%0.0397%0.068CC..BIsolated β-bridgetrans-108.2132.4-176.2177.5-114.5000111.1L144 L179 I182 E191 Y193 G256 S257 T260 V264L144-F262 HydrophobicContact CD1-CE1 4.44Å; L179-F262 HydrophobicContact CD1-CE1 4.11Å; L179-F262 HydrophobicContact CD2-CD1 4.01Å; L179-F262 HydrophobicContact CD2-CE1 3.99Å; L179-F262 HydrophobicContact CG-CE1 4.32Å; I182-F262 HydrophobicContact CB-CE1 4.49Å; I182-F262 HydrophobicContact CB-CZ 4.05Å; I182-F262 HydrophobicContact CD1-CD1 3.86Å; I182-F262 HydrophobicContact CD1-CE1 3.29Å; I182-F262 HydrophobicContact CD1-CE2 4.25Å; I182-F262 HydrophobicContact CD1-CZ 3.5Å; I182-F262 HydrophobicContact CG1-CD1 4.5Å; I182-F262 HydrophobicContact CG1-CE1 3.49Å; I182-F262 VanDerWaalsContact CG1-CE1 3.49Å; I182-F262 HydrophobicContact CG1-CZ 3.54Å; E191-F262 HydrophobicContact CB-CE2 4.38Å; E191-F262 HydrophobicContact CG-CD2 4.46Å; E191-F262 HydrophobicContact CG-CE2 3.9Å; Y193-F262 VanDerWaalsContact CA-CE2 3.42Å; Y193-F262 HydrophobicContact CD2-CB 3.88Å; Y193-F262 AromaticContact CD2-CD1 3.78Å; Y193-F262 HydrophobicContact CD2-CD1 3.78Å; Y193-F262 AromaticContact CD2-CD2 3.85Å; Y193-F262 HydrophobicContact CD2-CD2 3.85Å; Y193-F262 HydrophobicContact CD2-CE1 4.27Å; Y193-F262 HydrophobicContact CD2-CE2 4.35Å; Y193-F262 AromaticContact CD2-CG 3.54Å; Y193-F262 HydrophobicContact CD2-CG 3.54Å; Y193-F262 HydrophobicContact CE2-CB 4.17Å; Y193-F262 HydrophobicContact CE2-CG 4.28Å; Y193-F262 HydrophobicContact CG-CD1 4.44Å; Y193-F262 HydrophobicContact CG-CG 4.45Å; G256-F262 WeakPolarHBondContact CA-O 3.45Å; S257-F262 PolarHBondContact N-O 3.44Å; S257-F262 PolarHBondContact O-N 2.83Å; T260-F262 VanDerWaalsContact C-N 3.28Å; T260-F262 PolarHBondContact O-N 3.31Å; T260-F262 WeakPolarHBondContact OG1-CB 3.48Å; F262-V264 PolarHBondContact O-N 3.22Å
263G95.6Very high95.4Very high0 Ų017.2 Ų17.20%09%0.091CC..SBendtrans74.1-6.7-175.300000115E191 F267E191-G263 WeakPolarHBondContact OE2-CA 3.3Å; G263-F267 VanDerWaalsContact O-CB 3.29Å; G263-F267 WeakPolarHBondContact O-CB 3.47Å; G263-F267 PolarHBondContact O-N 2.98Å
264V95.2Very high95.3Very high0 Ų017.8 Ų17.80%09%0.094CC..Hα-helixtrans-74.2-37.2-176.8179.50000112.1Q32 L33 F36 F140 F262 L268Q32-V264 HydrophobicContact CB-CB 4.45Å; Q32-V264 HydrophobicContact CB-CG1 3.82Å; Q32-V264 HydrophobicContact CB-CG2 4.32Å; L33-V264 HydrophobicContact CD2-CG1 3.76Å; L33-V264 HydrophobicContact CG-CG1 4.36Å; F36-V264 HydrophobicContact CD2-CG1 3.94Å; F36-V264 HydrophobicContact CE2-CB 3.8Å; F36-V264 HydrophobicContact CE2-CG1 3.67Å; F140-V264 HydrophobicContact CZ-CG2 4.11Å; F262-V264 PolarHBondContact O-N 3.22Å; V264-L268 WeakPolarHBondContact O-CB 3.28Å; V264-L268 PolarHBondContact O-N 3.2Å
265E93.5Very high95.1Very high39 Ų3917.9 Ų17.918%0.18210%0.095CC..Hα-helixtrans-67.1-50.7175.1-167.8168.6-178.800110.9F36 R202 F267 L268 E269F36-E265 HydrophobicContact CD1-CB 4.19Å; F36-E265 HydrophobicContact CD1-CG 4.06Å; F36-E265 HydrophobicContact CE1-CB 3.58Å; F36-E265 HydrophobicContact CE1-CG 3.78Å; F36-E265 VanDerWaalsContact CE1-OE2 3.29Å; F36-E265 WeakPolarHBondContact CE1-OE2 3.15Å; F36-E265 HydrophobicContact CE2-CB 4.2Å; F36-E265 HydrophobicContact CZ-CB 3.59Å; F36-E265 HydrophobicContact CZ-CG 4.31Å; R202-E265 IonicContact CZ-OE2 3.05Å; R202-E265 IonicContact NH1-OE2 2.83Å; R202-E265 PolarHBondContact NH1-OE2 3.16Å; R202-E265 IonicContact NH2-OE2 3.14Å; R202-E265 PolarHBondContact NH2-OE2 3.41Å; E265-F267 PolarHBondContact O-N 2.85Å; E265-L268 PolarHBondContact O-N 3.46Å; E265-E269 HydrophobicContact CG-CG 4.43Å; E265-E269 WeakPolarHBondContact O-CG 3.31Å; E265-E269 PolarHBondContact O-N 3.01Å
266T95.1Very high95Very high0 Ų018.1 Ų18.10%010%0.096CC..Hα-helixtrans-51.8-45.4173.5-60.30000111.3D184 E191 T270D184-T266 HydrophobicContact CB-CG2 4.27Å; D184-T266 WeakPolarHBondContact OD2-CG2 3.47Å; E191-T266 PolarHBondContact OE2-OG1 3.47Å; T266-T270 PolarHBondContact O-N 3.37Å; T266-T270 PolarHBondContact O-OG1 3.23Å
267F97.3Very high94.9Very high0 Ų022 Ų220%011%0.113CC..Hα-helixtrans-59.1-49.1173164-104.4000112.3L33 V110 F138 F140 F254 G263 E265 F271L33-F267 HydrophobicContact CD1-CE1 4.49Å; L33-F267 HydrophobicContact CD2-CD1 4.13Å; L33-F267 HydrophobicContact CD2-CE1 4.16Å; V110-F267 HydrophobicContact CB-CZ 4.43Å; V110-F267 HydrophobicContact CG1-CE1 4.41Å; V110-F267 HydrophobicContact CG1-CE2 4.39Å; V110-F267 HydrophobicContact CG1-CZ 3.71Å; V110-F267 HydrophobicContact CG2-CZ 3.78Å; F138-F267 HydrophobicContact CB-CE2 4.3Å; F140-F267 HydrophobicContact CD2-CB 4.02Å; F140-F267 HydrophobicContact CD2-CD1 4.34Å; F140-F267 HydrophobicContact CD2-CD2 4.06Å; F140-F267 AromaticContact CD2-CG 3.85Å; F140-F267 HydrophobicContact CD2-CG 3.85Å; F140-F267 HydrophobicContact CE2-CB 3.98Å; F140-F267 HydrophobicContact CE2-CG 4.26Å; F254-F267 HydrophobicContact CB-CB 4.49Å; F254-F267 HydrophobicContact CB-CD2 4.09Å; F254-F267 HydrophobicContact CD1-CB 4.11Å; F254-F267 AromaticContact CD1-CD2 3.97Å; F254-F267 HydrophobicContact CD1-CD2 3.97Å; F254-F267 AromaticContact CD2-CD2 3.52Å; F254-F267 HydrophobicContact CD2-CD2 3.52Å; F254-F267 AromaticContact CD2-CE2 3.95Å; F254-F267 HydrophobicContact CD2-CE2 3.95Å; F254-F267 HydrophobicContact CE1-CD2 4.21Å; F254-F267 AromaticContact CE2-CD2 3.79Å; F254-F267 HydrophobicContact CE2-CD2 3.79Å; F254-F267 HydrophobicContact CE2-CE2 4.05Å; F254-F267 HydrophobicContact CG-CB 4.33Å; F254-F267 AromaticContact CG-CD2 3.6Å; F254-F267 HydrophobicContact CG-CD2 3.6Å; F254-F267 HydrophobicContact CG-CE2 4.46Å; F254-F267 HydrophobicContact CG-CG 4.45Å; F254-F267 HydrophobicContact CZ-CD2 4.11Å; G263-F267 VanDerWaalsContact O-CB 3.29Å; G263-F267 WeakPolarHBondContact O-CB 3.47Å; G263-F267 PolarHBondContact O-N 2.98Å; E265-F267 PolarHBondContact O-N 2.85Å; F267-F271 HydrophobicContact CE1-CB 4.44Å; F267-F271 HydrophobicContact CE2-CB 4.14Å; F267-F271 HydrophobicContact CE2-CD2 4.25Å; F267-F271 HydrophobicContact CE2-CG 4.47Å; F267-F271 HydrophobicContact CZ-CB 4.08Å; F267-F271 AromaticContact CZ-CD2 3.95Å; F267-F271 HydrophobicContact CZ-CD2 3.95Å; F267-F271 HydrophobicContact CZ-CG 4.07Å; F267-F271 WeakPolarHBondContact O-CB 3.27Å; F267-F271 PolarHBondContact O-N 3.45Å
268L95.6Very high94.9Very high0 Ų022.1 Ų22.10%011%0.114CC..Hα-helixtrans-66.4-43.2-174.9-179.958.2000112.3L33 F36 F77 F79 V264 E265 F271 V272L33-L268 HydrophobicContact CD2-CB 4.04Å; L33-L268 HydrophobicContact CD2-CD1 4.13Å; L33-L268 HydrophobicContact CD2-CD2 4.14Å; L33-L268 HydrophobicContact CD2-CG 4.32Å; F36-L268 HydrophobicContact CB-CD2 3.77Å; F36-L268 HydrophobicContact CG-CD2 4.48Å; F77-L268 HydrophobicContact CE2-CD1 4.38Å; F77-L268 HydrophobicContact CE2-CD2 4.09Å; F77-L268 HydrophobicContact CZ-CD1 4.26Å; F77-L268 HydrophobicContact CZ-CD2 4.41Å; F79-L268 HydrophobicContact CB-CD2 4.49Å; F79-L268 HydrophobicContact CD1-CD1 4.4Å; F79-L268 HydrophobicContact CD1-CD2 3.97Å; F79-L268 HydrophobicContact CD1-CG 3.76Å; F79-L268 HydrophobicContact CD2-CD2 3.67Å; F79-L268 HydrophobicContact CD2-CG 4.36Å; F79-L268 HydrophobicContact CE1-CB 4.47Å; F79-L268 HydrophobicContact CE1-CD2 4.07Å; F79-L268 HydrophobicContact CE1-CG 3.73Å; F79-L268 HydrophobicContact CE2-CD2 3.78Å; F79-L268 HydrophobicContact CE2-CG 4.33Å; F79-L268 HydrophobicContact CG-CD2 3.77Å; F79-L268 HydrophobicContact CG-CG 4.09Å; F79-L268 HydrophobicContact CZ-CD2 3.98Å; F79-L268 HydrophobicContact CZ-CG 4.02Å; V264-L268 WeakPolarHBondContact O-CB 3.28Å; V264-L268 PolarHBondContact O-N 3.2Å; E265-L268 PolarHBondContact O-N 3.46Å; L268-F271 HydrophobicContact CD1-CD1 4.4Å; L268-F271 PolarHBondContact O-N 2.88Å; L268-V272 HydrophobicContact CD1-CG1 3.81Å; L268-V272 HydrophobicContact CG-CG1 4.48Å; L268-V272 WeakPolarHBondContact O-CG1 3.49Å; L268-V272 WeakPolarHBondContact O-CG2 3.43Å; L268-V272 PolarHBondContact O-N 3.44Å
269E94.6Very high94.8Very high28 Ų2826.3 Ų26.313%0.13113%0.133CC..Hα-helixtrans-54-54.6174.7-71.2176.3179.700110.8F79 R189 E265 F271 V272 D273F79-E269 HydrophobicContact CE1-CG 4.11Å; F79-E269 HydrophobicContact CZ-CG 3.91Å; R189-E269 IonicContact CZ-OE2 3.52Å; R189-E269 IonicContact NH1-OE2 2.87Å; R189-E269 PolarHBondContact NH1-OE2 3.11Å; R189-E269 IonicContact NH2-OE2 3.48Å; R189-E269 PolarHBondContact NH2-OE2 3.17Å; E265-E269 HydrophobicContact CG-CG 4.43Å; E265-E269 WeakPolarHBondContact O-CG 3.31Å; E265-E269 PolarHBondContact O-N 3.01Å; E269-F271 PolarHBondContact O-N 3.13Å; E269-V272 VanDerWaalsContact O-CG2 3.22Å; E269-V272 WeakPolarHBondContact O-CG2 3.46Å; E269-D273 PolarHBondContact O-N 3.03Å
270T95.6Very high94.8Very high0 Ų023.7 Ų23.70%013%0.126CC..Hα-helixtrans-67.4-36.8178.5-560000112.5M169 Y186 F254 T266 D273 L274M169-T270 HydrophobicContact CE-CG2 3.26Å; Y186-T270 HydrophobicContact CD1-CG2 3.8Å; Y186-T270 HydrophobicContact CE1-CG2 4.03Å; Y186-T270 HydrophobicContact CG-CG2 4.04Å; F254-T270 HydrophobicContact CE1-CG2 3.8Å; F254-T270 HydrophobicContact CZ-CG2 3.6Å; T266-T270 PolarHBondContact O-N 3.37Å; T266-T270 PolarHBondContact O-OG1 3.23Å; T270-D273 PolarHBondContact O-N 3.34Å; T270-L274 HydrophobicContact CG2-CD1 3.83Å; T270-L274 HydrophobicContact CG2-CG 4.31Å; T270-L274 WeakPolarHBondContact O-CG 3.48Å; T270-L274 PolarHBondContact O-N 3.34Å; T270-L274 VanDerWaalsContact O-N 3.12Å
271F96.4Very high94.9Very high0 Ų022 Ų220%012%0.115CC..Hα-helixtrans-62.2-46.7179.1173.5-95.3000111.5F16 V110 F138 F267 L268 E269 D273 L274 A275F16-F271 HydrophobicContact CB-CZ 3.88Å; F16-F271 AromaticContact CD1-CE1 3.53Å; F16-F271 HydrophobicContact CD1-CE1 3.53Å; F16-F271 AromaticContact CD1-CZ 3.43Å; F16-F271 HydrophobicContact CD1-CZ 3.43Å; F16-F271 VanDerWaalsContact CD1-CZ 3.43Å; F16-F271 HydrophobicContact CD2-CZ 4.17Å; F16-F271 AromaticContact CE1-CE1 3.58Å; F16-F271 HydrophobicContact CE1-CE1 3.58Å; F16-F271 AromaticContact CE1-CZ 3.86Å; F16-F271 HydrophobicContact CE1-CZ 3.86Å; F16-F271 HydrophobicContact CG-CE1 4.15Å; F16-F271 HydrophobicContact CG-CE2 4.47Å; F16-F271 AromaticContact CG-CZ 3.57Å; F16-F271 HydrophobicContact CG-CZ 3.57Å; F16-F271 HydrophobicContact CZ-CE1 4.27Å; F16-F271 HydrophobicContact CZ-CZ 4.41Å; V110-F271 HydrophobicContact CG2-CD2 4.14Å; V110-F271 HydrophobicContact CG2-CE2 3.63Å; V110-F271 HydrophobicContact CG2-CZ 4.15Å; F138-F271 HydrophobicContact CB-CD2 4.16Å; F138-F271 HydrophobicContact CB-CE2 4.39Å; F138-F271 AromaticContact CD1-CD2 3.85Å; F138-F271 HydrophobicContact CD1-CD2 3.85Å; F138-F271 HydrophobicContact CD1-CE2 4.47Å; F138-F271 AromaticContact CD2-CD2 3.83Å; F138-F271 HydrophobicContact CD2-CD2 3.83Å; F138-F271 AromaticContact CD2-CE2 3.61Å; F138-F271 HydrophobicContact CD2-CE2 3.61Å; F138-F271 HydrophobicContact CE1-CD2 4.19Å; F138-F271 HydrophobicContact CE2-CD2 4.19Å; F138-F271 AromaticContact CE2-CE2 3.97Å; F138-F271 HydrophobicContact CE2-CE2 3.97Å; F138-F271 AromaticContact CG-CD2 3.66Å; F138-F271 HydrophobicContact CG-CD2 3.66Å; F138-F271 AromaticContact CG-CE2 3.9Å; F138-F271 HydrophobicContact CG-CE2 3.9Å; F138-F271 HydrophobicContact CZ-CD2 4.37Å; F267-F271 HydrophobicContact CE1-CB 4.44Å; F267-F271 HydrophobicContact CE2-CB 4.14Å; F267-F271 HydrophobicContact CE2-CD2 4.25Å; F267-F271 HydrophobicContact CE2-CG 4.47Å; F267-F271 HydrophobicContact CZ-CB 4.08Å; F267-F271 AromaticContact CZ-CD2 3.95Å; F267-F271 HydrophobicContact CZ-CD2 3.95Å; F267-F271 HydrophobicContact CZ-CG 4.07Å; F267-F271 WeakPolarHBondContact O-CB 3.27Å; F267-F271 PolarHBondContact O-N 3.45Å; L268-F271 HydrophobicContact CD1-CD1 4.4Å; L268-F271 PolarHBondContact O-N 2.88Å; E269-F271 PolarHBondContact O-N 3.13Å; F271-D273 PolarHBondContact O-N 3.38Å; F271-L274 PolarHBondContact O-N 2.79Å; F271-A275 HydrophobicContact CD1-CB 4.27Å; F271-A275 HydrophobicContact CD2-CB 4.1Å; F271-A275 HydrophobicContact CE1-CB 3.93Å; F271-A275 HydrophobicContact CE2-CB 3.75Å; F271-A275 HydrophobicContact CG-CB 4.34Å; F271-A275 HydrophobicContact CZ-CB 3.64Å; F271-A275 WeakPolarHBondContact O-CA 3.23Å; F271-A275 WeakPolarHBondContact O-CB 3.44Å; F271-A275 PolarHBondContact O-N 2.89Å
272V94.8Very high94.8Very high1 Ų126 Ų261%0.00613%0.13CC..Hα-helixtrans-66.8-28-177.1-66.20000113R14 F79 K82 V84 L268 E269R14-V272 PolarHBondContact NE-O 3.23Å; R14-V272 PolarHBondContact NH2-O 2.98Å; F79-V272 HydrophobicContact CD1-CG1 4.01Å; F79-V272 HydrophobicContact CD1-CG2 4.01Å; F79-V272 HydrophobicContact CE1-CG2 4.18Å; K82-V272 HydrophobicContact CB-CB 4.5Å; K82-V272 HydrophobicContact CG-CB 4.06Å; V84-V272 HydrophobicContact CG2-CG1 4Å; L268-V272 HydrophobicContact CD1-CG1 3.81Å; L268-V272 HydrophobicContact CG-CG1 4.48Å; L268-V272 WeakPolarHBondContact O-CG1 3.49Å; L268-V272 WeakPolarHBondContact O-CG2 3.43Å; L268-V272 PolarHBondContact O-N 3.44Å; E269-V272 VanDerWaalsContact O-CG2 3.22Å; E269-V272 WeakPolarHBondContact O-CG2 3.46Å
273D94Very high94.7Very high88 Ų8826 Ų2647%0.47113%0.13SC..Hα-helixtrans-70.8-47.7174.3-82.2-10.9000112.3E269 T270 F271E269-D273 PolarHBondContact O-N 3.03Å; T270-D273 PolarHBondContact O-N 3.34Å; F271-D273 PolarHBondContact O-N 3.38Å
274L95.7Very high94.4Very high13 Ų1331.9 Ų31.97%0.06816%0.158CC..Hα-helixtrans-89.2-29-172.3-62.2-174.6000114.3F138 M169 F240 L242 Q246 T270 F271F138-L274 HydrophobicContact CE1-CB 3.8Å; F138-L274 HydrophobicContact CE1-CD1 4.46Å; F138-L274 HydrophobicContact CZ-CB 3.97Å; M169-L274 HydrophobicContact CE-CD1 3.55Å; M169-L274 HydrophobicContact SD-CD1 4.49Å; F240-L274 HydrophobicContact CE2-CD1 4.13Å; F240-L274 HydrophobicContact CZ-CD1 4.33Å; F240-L274 HydrophobicContact CZ-CD2 4.08Å; L242-L274 HydrophobicContact CD1-CD2 4.17Å; Q246-L274 PolarHBondContact NE2-O 2.83Å; Q246-L274 VanDerWaalsContact NE2-O 3.11Å; T270-L274 HydrophobicContact CG2-CD1 3.83Å; T270-L274 HydrophobicContact CG2-CG 4.31Å; T270-L274 WeakPolarHBondContact O-CG 3.48Å; T270-L274 PolarHBondContact O-N 3.34Å; T270-L274 VanDerWaalsContact O-N 3.12Å; F271-L274 PolarHBondContact O-N 2.79Å
275A96Very high94Very high2 Ų239.9 Ų39.92%0.01720%0.195CC..SBendtrans-62.2141.6-175.500000111R14 F138 F271R14-A275 WeakPolarHBondContact CD-O 3.4Å; R14-A275 PolarHBondContact NE-O 3.38Å; F138-A275 HydrophobicContact CE2-CB 4.11Å; F138-A275 HydrophobicContact CZ-CB 4.11Å; F271-A275 HydrophobicContact CD1-CB 4.27Å; F271-A275 HydrophobicContact CD2-CB 4.1Å; F271-A275 HydrophobicContact CE1-CB 3.93Å; F271-A275 HydrophobicContact CE2-CB 3.75Å; F271-A275 HydrophobicContact CG-CB 4.34Å; F271-A275 HydrophobicContact CZ-CB 3.64Å; F271-A275 WeakPolarHBondContact O-CA 3.23Å; F271-A275 WeakPolarHBondContact O-CB 3.44Å; F271-A275 PolarHBondContact O-N 2.89Å
276P95.6Very high93.7Very high7 Ų740.6 Ų40.65%0.04521%0.213CC..PPolyproline II helixtrans-61142.6-179.924.9-33.6000111.2R14 D107 P136R14-P276 WeakPolarHBondContact CD-O 3.24Å; D107-P276 HydrophobicContact CB-CB 4.38Å; D107-P276 HydrophobicContact CB-CG 3.95Å; D107-P276 WeakPolarHBondContact O-CG 3.34Å; P136-P276 HydrophobicContact CB-CG 4.4Å; P136-P276 HydrophobicContact CG-CG 4.09Å
277K96Very high93.5Very high81 Ų8146.6 Ų46.635%0.35224%0.241SC..PPolyproline II helixtrans-73.4166.4159.562.6179.6-178.1178.50109.8D11 H279 Y292D11-K277 HydrophobicContact CB-CD 4.37Å; D11-K277 WeakPolarHBondContact OD1-CD 3.42Å; D11-K277 IonicContact OD1-NZ 3.48Å; D11-K277 PolarHBondContact OD1-NZ 3.32Å; D11-K277 IonicContact OD2-NZ 3.32Å; K277-H279 PolarHBondContact O-N 3.26Å; K277-Y292 VanDerWaalsContact CE-OH 3.26Å; K277-Y292 WeakPolarHBondContact CE-OH 3.39Å; K277-Y292 PolarHBondContact NZ-OH 3.06Å
278P96.4Very high93.2Very high3 Ų350 Ų502%0.01927%0.27CS..PPolyproline II helixtrans-49.7129.1175-27.136.2000111.5V10 R13 D107 P291 A361 G362V10-P278 HydrophobicContact CG1-CB 4.12Å; V10-P278 HydrophobicContact CG1-CG 4.15Å; V10-P278 VanDerWaalsContact O-CD 3.27Å; V10-P278 WeakPolarHBondContact O-CD 3.25Å; R13-P278 HydrophobicContact CB-CG 3.72Å; D107-P278 WeakPolarHBondContact OD1-CA 3.48Å; P278-P291 HydrophobicContact CB-CB 4.19Å; P278-P291 WeakPolarHBondContact O-CG 3.11Å; P278-A361 HydrophobicContact CB-CB 4.3Å; P278-A361 WeakPolarHBondContact CG-O 3.39Å; P278-G362 VanDerWaalsContact CG-CA 3.5Å
279H92Very high93.2Very high88 Ų8850.5 Ų50.541%0.40727%0.272SS..  trans-107.6174.6179.96773.4000111.7D107 K277D107-H279 IonicContact OD1-CD2 2.71Å; D107-H279 IonicContact OD1-NE2 2.81Å; K277-H279 PolarHBondContact O-N 3.26Å
280A93.5Very high93.2Very high44 Ų4450.8 Ų50.836%0.36428%0.278SS..PPolyproline II helixtrans-68.1138.5177.600000111.3A288 V289A280-A288 HydrophobicContact CB-CB 4.13Å; A280-V289 WeakPolarHBondContact CA-O 3.48Å; A280-V289 WeakPolarHBondContact CB-O 3.02Å
281H92.3Very high93.2Very high19 Ų1951.1 Ų51.19%0.08828%0.28CS..EExtended strand (participates in β ladder)trans-101.7140.8176.2-75-88.3000110.2V289 F299 C321 Y388H281-V289 PolarHBondContact N-O 2.7Å; H281-V289 VanDerWaalsContact N-O 3.1Å; H281-V289 PolarHBondContact O-N 3.45Å; H281-F299 AromaticContact CE1-CE1 3.96Å; H281-F299 AromaticContact ND1-CE1 3.95Å; H281-C321 VanDerWaalsContact CD2-SG 3.5Å; H281-Y388 HydrophobicContact CB-CD1 3.84Å; H281-Y388 HydrophobicContact CB-CE1 3.53Å
282K91.2Very high93.1Very high125 Ų12554.6 Ų54.654%0.54329%0.294SS..EExtended strand (participates in β ladder)trans-81.2142.2177.9-68.7179.9-178.7177.20111.5E287 E389K282-E287 CarbonylContact C-O 3.39Å; K282-E287 WeakPolarHBondContact CA-O 3.32Å; K282-E389 HydrophobicContact CB-CG 3.91Å; K282-E389 PolarHBondContact O-N 3.02Å
283T92Very high93.1Very high7 Ų758.5 Ų58.54%0.04331%0.312CS..BIsolated β-bridgetrans-85.3168167.667.50000111.1E285 G286 E287 V289 V386 A387T283-E285 PolarHBondContact O-N 2.56Å; T283-E285 PolarHBondContact OG1-N 2.86Å; T283-G286 PolarHBondContact O-N 3.48Å; T283-G286 PolarHBondContact OG1-N 3.48Å; T283-E287 HydrophobicContact CG2-CB 4.36Å; T283-E287 PolarHBondContact N-O 2.81Å; T283-E287 WeakPolarHBondContact OG1-CB 3.5Å; T283-E287 PolarHBondContact OG1-N 2.9Å; T283-E287 PolarHBondContact OG1-O 2.65Å; T283-V289 HydrophobicContact CG2-CG2 3.63Å; T283-V386 HydrophobicContact CG2-CB 4.41Å; T283-V386 HydrophobicContact CG2-CG1 4.21Å; T283-A387 CarbonylContact C-O 3.45Å; T283-A387 WeakPolarHBondContact CA-O 3.37Å; T283-A387 WeakPolarHBondContact CB-O 3.39Å
284E89.2Confident92.9Very high125 Ų12560.1 Ų60.158%0.58432%0.316SS*.THydrogen-bonded Turntrans-55.7-29.9170.8-66.2179.1172.600112.7G286 A387 Y388E284-G286 VanDerWaalsContact C-N 3.28Å; E284-G286 PolarHBondContact O-N 3.23Å; E284-A387 HydrophobicContact CG-CB 4.23Å; E284-A387 PolarHBondContact N-O 2.75Å; E284-Y388 WeakPolarHBondContact CG-O 3.27Å
285E87.8Confident92.8Very high167 Ų16762.6 Ų62.678%0.7833%0.328SS*.THydrogen-bonded Turntrans-84.4-0.4177.6-60.8-176178.100113T283 E287T283-E285 PolarHBondContact O-N 2.56Å; T283-E285 PolarHBondContact OG1-N 2.86Å; E285-E287 VanDerWaalsContact C-N 3.35Å
286G86.7Confident92.8Very high54 Ų5462.5 Ų62.556%0.55733%0.327SS*.SBendtrans82.76.9179.400000114.8T283 E284T283-G286 PolarHBondContact O-N 3.48Å; T283-G286 PolarHBondContact OG1-N 3.48Å; E284-G286 VanDerWaalsContact C-N 3.28Å; E284-G286 PolarHBondContact O-N 3.23Å
287E90.3Very high92.9Very high126 Ų12662.2 Ų62.259%0.58933%0.325SS*.PPolyproline II helixtrans-76146175.3-57.8-170.6153.600110.8K282 T283 E285K282-E287 CarbonylContact C-O 3.39Å; K282-E287 WeakPolarHBondContact CA-O 3.32Å; T283-E287 HydrophobicContact CG2-CB 4.36Å; T283-E287 PolarHBondContact N-O 2.81Å; T283-E287 WeakPolarHBondContact OG1-CB 3.5Å; T283-E287 PolarHBondContact OG1-N 2.9Å; T283-E287 PolarHBondContact OG1-O 2.65Å; E285-E287 VanDerWaalsContact C-N 3.35Å
288A92.5Very high92.9Very high73 Ų7358.3 Ų58.360%0.60331%0.308SS*.EExtended strand (participates in β ladder)trans-96.8117.7179.900000110.6A280A280-A288 HydrophobicContact CB-CB 4.13Å
289V94.1Very high92.9Very high9 Ų958.7 Ų58.76%0.05531%0.309CS..EExtended strand (participates in β ladder)trans-85.8117.1172.6-174.20000109A280 H281 T283 E293 V386 Y388A280-V289 WeakPolarHBondContact CA-O 3.48Å; A280-V289 WeakPolarHBondContact CB-O 3.02Å; H281-V289 PolarHBondContact N-O 2.7Å; H281-V289 VanDerWaalsContact N-O 3.1Å; H281-V289 PolarHBondContact O-N 3.45Å; T283-V289 HydrophobicContact CG2-CG2 3.63Å; V289-E293 HydrophobicContact CG1-CG 4.15Å; V289-V386 HydrophobicContact CG2-CB 4.4Å; V289-V386 HydrophobicContact CG2-CG1 3.67Å; V289-Y388 HydrophobicContact CB-CE1 4.15Å; V289-Y388 HydrophobicContact CG2-CE1 3.94Å
290S95Very high92.9Very high35 Ų3554.5 Ų54.525%0.24529%0.29CS..PPolyproline II helixtrans-68.1141.6178.5177.90000111.4Y292 E293 S322S290-Y292 PolarHBondContact O-N 3.04Å; S290-Y292 VanDerWaalsContact O-N 3.14Å; S290-Y292 PolarHBondContact OG-N 3.01Å; S290-E293 WeakPolarHBondContact CB-OE1 3.25Å; S290-E293 WeakPolarHBondContact O-CG 2.98Å; S290-E293 PolarHBondContact O-N 3.37Å; S290-S322 VanDerWaalsContact O-CB 3.23Å; S290-S322 WeakPolarHBondContact O-CB 3.11Å
291P95.7Very high92.8Very high7 Ų752.4 Ų52.45%0.04527%0.273CS..THydrogen-bonded Turntrans-68-10.8172.232.5-37.6000113.1V10 P278 C321 A361V10-P291 HydrophobicContact CG1-CB 3.98Å; V10-P291 HydrophobicContact CG1-CG 4.39Å; P278-P291 HydrophobicContact CB-CB 4.19Å; P278-P291 WeakPolarHBondContact O-CG 3.11Å; P291-C321 VanDerWaalsContact CA-O 3.31Å; P291-C321 WeakPolarHBondContact CA-O 3.44Å; P291-A361 HydrophobicContact CB-CB 3.71Å
292Y95.3Very high92.5Very high73 Ų7351.7 Ų51.729%0.28627%0.269SS..THydrogen-bonded Turntrans-100.38.2179-48.5-68.6000113.8K7 V10 D11 K277 S290K7-Y292 HydrophobicContact CB-CD1 4.2Å; K7-Y292 HydrophobicContact CB-CE1 4.28Å; K7-Y292 HydrophobicContact CG-CD1 4.11Å; K7-Y292 HydrophobicContact CG-CE1 3.78Å; V10-Y292 HydrophobicContact CB-CD1 4.29Å; V10-Y292 HydrophobicContact CB-CE1 3.94Å; V10-Y292 HydrophobicContact CG1-CD1 4.15Å; V10-Y292 HydrophobicContact CG1-CE1 3.63Å; D11-Y292 PolarHBondContact OD1-OH 3.12Å; K277-Y292 VanDerWaalsContact CE-OH 3.26Å; K277-Y292 WeakPolarHBondContact CE-OH 3.39Å; K277-Y292 PolarHBondContact NZ-OH 3.06Å; S290-Y292 PolarHBondContact O-N 3.04Å; S290-Y292 VanDerWaalsContact O-N 3.14Å; S290-Y292 PolarHBondContact OG-N 3.01Å
293E93.2Very high92.1Very high82 Ų8246 Ų4638%0.38325%0.245SC..  trans-58.7146.4169.6-60.9-58.5150.100110.2V289 S290 G323V289-E293 HydrophobicContact CG1-CG 4.15Å; S290-E293 WeakPolarHBondContact CB-OE1 3.25Å; S290-E293 WeakPolarHBondContact O-CG 2.98Å; S290-E293 PolarHBondContact O-N 3.37Å; E293-G323 WeakPolarHBondContact O-CA 3.39Å; E293-G323 PolarHBondContact O-N 3.4Å
294E91Very high91.4Very high122 Ų12246.7 Ų46.757%0.5725%0.248SC*.SBendtrans-73.2-37-179.1-63.9-175.6162.800112.1N2N2-E294 PolarHBondContact ND2-OE1 2.96Å; N2-E294 PolarHBondContact OD1-OE2 3.11Å
295E93.6Very high90.5Very high66 Ų6641 Ų4131%0.30822%0.222SC..SBendtrans-80137.7-178.3-64.6-170.513900111.2S322 G323 G382 K383 L384E295-S322 CarbonylContact O-C 3.4Å; E295-S322 PolarHBondContact O-OG 3.08Å; E295-G323 WeakPolarHBondContact O-CA 3.44Å; E295-G323 PolarHBondContact O-N 3.39Å; E295-G382 WeakPolarHBondContact OE1-CA 3.41Å; E295-K383 PolarHBondContact OE1-N 3.11Å; E295-K383 PolarHBondContact OE2-N 2.8Å; E295-L384 HydrophobicContact CB-CB 4.31Å; E295-L384 HydrophobicContact CB-CD2 4.34Å; E295-L384 WeakPolarHBondContact OE2-CA 3.44Å; E295-L384 VanDerWaalsContact OE2-CB 3.3Å; E295-L384 WeakPolarHBondContact OE2-CB 3.07Å; E295-L384 PolarHBondContact OE2-N 2.89Å
296F95.8Very high89.4Confident0 Ų033.4 Ų33.40%019%0.187CC..  trans-64.1136.8177.1170.6-93.2000111.7V320 S322 F325 M329 V331 L342 I365 L379 Y380 E381F296-V320 HydrophobicContact CD2-CG1 4.02Å; F296-V320 HydrophobicContact CE2-CB 4.37Å; F296-V320 HydrophobicContact CE2-CG1 3.76Å; F296-V320 HydrophobicContact CE2-CG2 3.89Å; F296-S322 WeakPolarHBondContact CA-O 3.35Å; F296-F325 HydrophobicContact CD2-CB 3.85Å; F296-F325 HydrophobicContact CE2-CB 3.73Å; F296-M329 HydrophobicContact CB-CE 3.41Å; F296-M329 VanDerWaalsContact CB-CE 3.41Å; F296-M329 HydrophobicContact CB-SD 4.25Å; F296-M329 HydrophobicContact CD1-CE 4.05Å; F296-M329 HydrophobicContact CD1-SD 4.32Å; F296-M329 HydrophobicContact CD2-SD 4.47Å; F296-M329 HydrophobicContact CG-CE 3.81Å; F296-M329 HydrophobicContact CG-SD 4.09Å; F296-V331 HydrophobicContact CD1-CG1 3.84Å; F296-V331 HydrophobicContact CE1-CG1 3.95Å; F296-L342 HydrophobicContact CE1-CD1 4.36Å; F296-I365 HydrophobicContact CE2-CD1 4.33Å; F296-I365 HydrophobicContact CZ-CD1 4.19Å; F296-L379 HydrophobicContact CE1-CB 4.18Å; F296-Y380 CarbonylContact O-C 3.5Å; F296-Y380 WeakPolarHBondContact O-CA 3.29Å; F296-E381 HydrophobicContact CB-CB 3.99Å; F296-E381 PolarHBondContact N-OE2 3.2Å; F296-E381 PolarHBondContact O-N 2.8Å
297S97Very high88.1Confident0 Ų032.9 Ų32.90%017%0.17CC..EExtended strand (participates in β ladder)trans-150.5157162.263.10000112.3C321 S322 L379 Y388S297-C321 PolarHBondContact O-N 3.1Å; S297-S322 PolarHBondContact N-O 3.06Å; S297-S322 VanDerWaalsContact N-O 3.07Å; S297-S322 PolarHBondContact N-OG 3.12Å; S297-S322 PolarHBondContact O-N 3.42Å; S297-S322 PolarHBondContact OG-OG 3.38Å; S297-L379 CarbonylContact C-O 3.6Å; S297-L379 VanDerWaalsContact CA-O 3.25Å; S297-L379 WeakPolarHBondContact CA-O 3.38Å; S297-Y388 PolarHBondContact OG-OH 3.3Å
298G96.5Very high86.6Confident0 Ų029.4 Ų29.40%016%0.156CC..EExtended strand (participates in β ladder)trans-173.3170.717700000112.4R319 T378 L379G298-R319 CarbonylContact C-O 3.31Å; G298-R319 WeakPolarHBondContact CA-O 3.47Å; G298-T378 WeakPolarHBondContact O-CA 3.33Å; G298-L379 PolarHBondContact N-O 3.18Å; G298-L379 PolarHBondContact O-N 2.96Å
299F95.4Very high84.7Confident10 Ų1029.6 Ų29.64%0.04415%0.151CC..EExtended strand (participates in β ladder)trans-127.8147.5178.461.6-89.4000112.3M104 A105 H281 F301 V318 R319 C321 D377 Y388 L391M104-F299 WeakPolarHBondContact O-CZ 3.33Å; A105-F299 HydrophobicContact CB-CE2 4.47Å; H281-F299 AromaticContact CE1-CE1 3.96Å; H281-F299 AromaticContact ND1-CE1 3.95Å; F299-F301 HydrophobicContact CD2-CB 4.06Å; F299-F301 HydrophobicContact CE2-CB 3.81Å; F299-F301 PolarHBondContact O-N 2.8Å; F299-V318 VanDerWaalsContact O-CA 3.3Å; F299-V318 WeakPolarHBondContact O-CA 3.25Å; F299-R319 HydrophobicContact CD1-CB 4.37Å; F299-R319 HydrophobicContact CD1-CG 4.5Å; F299-R319 HydrophobicContact CE1-CB 3.91Å; F299-R319 HydrophobicContact CE1-CG 3.72Å; F299-R319 HydrophobicContact CE2-CB 4.1Å; F299-R319 HydrophobicContact CZ-CB 3.75Å; F299-R319 HydrophobicContact CZ-CG 3.76Å; F299-R319 PolarHBondContact N-O 3.3Å; F299-R319 VanDerWaalsContact N-O 3.15Å; F299-R319 PolarHBondContact O-N 2.77Å; F299-C321 WeakPolarHBondContact CD1-SG 3.36Å; F299-C321 WeakPolarHBondContact CE1-SG 3.43Å; F299-D377 CarbonylContact C-O 3.59Å; F299-D377 WeakPolarHBondContact CA-O 3.4Å; F299-Y388 HydrophobicContact CB-CD2 3.93Å; F299-Y388 HydrophobicContact CB-CG 4.45Å; F299-Y388 AromaticContact CD1-CD2 3.9Å; F299-Y388 HydrophobicContact CD1-CD2 3.9Å; F299-Y388 HydrophobicContact CD1-CE2 4.43Å; F299-Y388 HydrophobicContact CD1-CG 4.01Å; F299-Y388 HydrophobicContact CG-CD2 4.39Å; F299-L391 HydrophobicContact CD2-CD1 4.48Å; F299-L391 HydrophobicContact CD2-CD2 4.21Å; F299-L391 HydrophobicContact CE2-CD2 3.98Å
300V93.4Very high82.7Confident0 Ų035.9 Ų35.90%018%0.184CC..EExtended strand (participates in β ladder)trans-79.9110.2175.2179.70000109I303 A316 F317 V318 Y373 Q374 G376 D377 L391V300-I303 HydrophobicContact CG1-CD1 3.84Å; V300-I303 HydrophobicContact CG1-CG1 3.61Å; V300-A316 HydrophobicContact CG1-CB 3.92Å; V300-A316 HydrophobicContact CG2-CB 4.23Å; V300-F317 WeakPolarHBondContact CA-O 3.19Å; V300-V318 HydrophobicContact CG2-CG2 3.84Å; V300-Y373 HydrophobicContact CG2-CD1 4.4Å; V300-Q374 WeakPolarHBondContact CB-O 3.45Å; V300-Q374 WeakPolarHBondContact CG1-O 3.32Å; V300-G376 PolarHBondContact O-N 2.98Å; V300-D377 HydrophobicContact CB-CB 4.34Å; V300-D377 HydrophobicContact CG2-CB 4.1Å; V300-D377 PolarHBondContact N-O 2.72Å; V300-L391 WeakPolarHBondContact O-CD1 3.27Å
301F90.1Very high80.8Confident1 Ų139.5 Ų39.50%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-98.8-20.4178.869.4-86.4000113.4V74 L87 R101 A105 F299 F317 R319 I364 L391V74-F301 HydrophobicContact CG2-CZ 4.47Å; L87-F301 HydrophobicContact CD2-CE2 3.66Å; L87-F301 HydrophobicContact CD2-CZ 3.61Å; R101-F301 WeakPolarHBondContact CB-O 3.15Å; A105-F301 HydrophobicContact CB-CB 4.06Å; A105-F301 HydrophobicContact CB-CD1 3.56Å; A105-F301 HydrophobicContact CB-CD2 3.76Å; A105-F301 HydrophobicContact CB-CE1 3.85Å; A105-F301 HydrophobicContact CB-CE2 4.03Å; A105-F301 HydrophobicContact CB-CG 3.51Å; A105-F301 HydrophobicContact CB-CZ 4.07Å; F299-F301 HydrophobicContact CD2-CB 4.06Å; F299-F301 HydrophobicContact CE2-CB 3.81Å; F299-F301 PolarHBondContact O-N 2.8Å; F301-F317 HydrophobicContact CD1-CB 4.35Å; F301-F317 WeakPolarHBondContact CD1-O 3.32Å; F301-F317 HydrophobicContact CE1-CB 3.67Å; F301-F317 HydrophobicContact CE2-CB 4.35Å; F301-F317 HydrophobicContact CZ-CB 3.67Å; F301-F317 HydrophobicContact CZ-CG 4.49Å; F301-F317 PolarHBondContact N-O 3.15Å; F301-F317 VanDerWaalsContact N-O 3.09Å; F301-R319 HydrophobicContact CD1-CB 4.13Å; F301-R319 HydrophobicContact CE1-CB 4.44Å; F301-I364 HydrophobicContact CE1-CD1 3.97Å; F301-I364 HydrophobicContact CE1-CG2 3.75Å; F301-I364 HydrophobicContact CZ-CD1 4.35Å; F301-I364 HydrophobicContact CZ-CG2 3.82Å; F301-L391 HydrophobicContact CB-CD1 4.15Å
302K86.2Confident79Confident4 Ų443.9 Ų43.92%0.01721%0.213CC..EExtended strand (participates in β ladder)trans-147.8148.1-176.7173.2-170-174.6-164.40110.8S72 F317S72-K302 PolarHBondContact O-NZ 2.75Å; S72-K302 WeakPolarHBondContact OG-CD 3.41Å; S72-K302 WeakPolarHBondContact OG-CE 3.31Å; S72-K302 PolarHBondContact OG-NZ 2.85Å; S72-K302 VanDerWaalsContact OG-NZ 3.07Å; K302-F317 HydrophobicContact CB-CB 4.08Å; K302-F317 HydrophobicContact CB-CD2 4.22Å; K302-F317 HydrophobicContact CB-CG 4.42Å; K302-F317 HydrophobicContact CD-CD2 3.77Å; K302-F317 HydrophobicContact CD-CE2 4.04Å; K302-F317 HydrophobicContact CD-CG 4.21Å; K302-F317 HydrophobicContact CG-CD2 3.89Å; K302-F317 HydrophobicContact CG-CE2 4.46Å; K302-F317 HydrophobicContact CG-CG 4.49Å; K302-F317 PolarHBondContact O-N 3.15Å
303I83.8Confident77.7Confident5 Ų542.3 Ų42.33%0.02621%0.209CC..EExtended strand (participates in β ladder)trans-134.2133.3173.3-62.8-168.2000109.1V300 R314 I315 A316 I375 E423V300-I303 HydrophobicContact CG1-CD1 3.84Å; V300-I303 HydrophobicContact CG1-CG1 3.61Å; I303-R314 HydrophobicContact CG2-CG 3.68Å; I303-I315 WeakPolarHBondContact CA-O 3.3Å; I303-A316 HydrophobicContact CD1-CB 4.44Å; I303-A316 HydrophobicContact CG1-CB 4.22Å; I303-I375 HydrophobicContact CB-CG1 4.5Å; I303-I375 HydrophobicContact CD1-CG1 4.35Å; I303-I375 HydrophobicContact CG1-CG1 4.08Å; I303-E423 HydrophobicContact CG2-CG 4.03Å
304Q76.5Confident77Confident22 Ų2238.7 Ų38.710%0.10319%0.192CC..EExtended strand (participates in β ladder)trans-128.8124.6178.2-172.1170.4-7.600109.6M307 R314 I315 F317Q304-M307 HydrophobicContact CG-CG 3.94Å; Q304-M307 HydrophobicContact CG-SD 4.48Å; Q304-R314 CarbonylContact O-C 3.56Å; Q304-R314 WeakPolarHBondContact O-CA 3.38Å; Q304-I315 PolarHBondContact N-O 3.41Å; Q304-I315 PolarHBondContact O-N 2.83Å; Q304-F317 HydrophobicContact CB-CE2 3.88Å
305A69.9Low76.6Confident6 Ų633.2 Ų33.25%0.0517%0.166CC..EExtended strand (participates in β ladder)trans-100.9166.7173.300000112.5M307 D313 R314 E423A305-M307 PolarHBondContact O-N 3.47Å; A305-D313 CarbonylContact C-O 3.57Å; A305-R314 HydrophobicContact CB-CB 4.22Å; A305-R314 HydrophobicContact CB-CG 4.2Å; A305-E423 VanDerWaalsContact CB-CD 3.44Å; A305-E423 HydrophobicContact CB-CG 4.25Å; A305-E423 WeakPolarHBondContact CB-OE1 3.3Å; A305-E423 VanDerWaalsContact N-CD 3.35Å; A305-E423 PolarHBondContact N-OE2 3.07Å; A305-E423 VanDerWaalsContact N-OE2 3.09Å
306N64.6Low76.4Confident6 Ų630 Ų303%0.03215%0.152CC..  trans57.133.9168.9-60.6-36.2000114.1N308 R312 D313 E457 Y458N306-N308 PolarHBondContact O-N 3.39Å; N306-N308 VanDerWaalsContact O-N 3.17Å; N306-R312 VanDerWaalsContact OD1-CA 3.31Å; N306-R312 WeakPolarHBondContact OD1-CA 3.42Å; N306-R312 VanDerWaalsContact OD1-CB 3.28Å; N306-R312 WeakPolarHBondContact OD1-CB 3.28Å; N306-R312 WeakPolarHBondContact OD1-CG 3.33Å; N306-D313 PolarHBondContact N-O 3.12Å; N306-E457 HydrophobicContact CB-CG 4.24Å; N306-E457 WeakPolarHBondContact ND2-CB 3.28Å; N306-E457 PolarHBondContact ND2-OE2 2.65Å; N306-Y458 PolarHBondContact ND2-OH 2.83Å
307M60.7Low76.2Confident44 Ų4430.2 Ų30.222%0.21715%0.152CC..SBendtrans-63.9-18.8172.6-61.7-169.286.900112.9Q304 A305 I315 F348 R353Q304-M307 HydrophobicContact CG-CG 3.94Å; Q304-M307 HydrophobicContact CG-SD 4.48Å; A305-M307 PolarHBondContact O-N 3.47Å; M307-I315 HydrophobicContact SD-CD1 3.61Å; M307-I315 HydrophobicContact SD-CG1 4.18Å; M307-F348 HydrophobicContact CE-CE1 4.23Å; M307-F348 HydrophobicContact SD-CE1 4.42Å; M307-R353 PolarHBondContact SD-NH2 3.18Å; M307-R353 VanDerWaalsContact SD-NH2 3.43Å
308N58Low76Confident53 Ų5330.2 Ų30.228%0.28315%0.152SC..SBendtrans-121.6120.8167.4-174-17.5000107.9N306 N310 H311N306-N308 PolarHBondContact O-N 3.39Å; N306-N308 VanDerWaalsContact O-N 3.17Å; N308-N310 PolarHBondContact O-N 2.95Å; N308-N310 WeakPolarHBondContact OD1-CB 3.38Å; N308-N310 PolarHBondContact OD1-N 3.21Å; N308-H311 CarbonylContact C-O 3.57Å; N308-H311 HydrophobicContact CB-CB 4.37Å; N308-H311 CarbonylContact O-C 3.45Å; N308-H311 VanDerWaalsContact O-C 3.28Å; N308-H311 PolarHBondContact O-N 2.93Å
309P53Low76Confident77 Ų7730.2 Ų30.250%0.515%0.152SC..SBendtrans-59-29.5177.9-25.434.3000113.3A55A55-P309 HydrophobicContact CB-CG 4.49Å
310N52.3Low76Confident140 Ų14029.8 Ų29.875%0.74915%0.15SC*.SBendtrans-82-32.2-175.8-64-32.9000113N308N308-N310 PolarHBondContact O-N 2.95Å; N308-N310 WeakPolarHBondContact OD1-CB 3.38Å; N308-N310 PolarHBondContact OD1-N 3.21Å
311H54.1Low76.2Confident111 Ų11129.8 Ų29.851%0.51415%0.151SC..SBendtrans-123.3106.2179.9-65.5-83.8000105.5N308 D313N308-H311 CarbonylContact C-O 3.57Å; N308-H311 HydrophobicContact CB-CB 4.37Å; N308-H311 CarbonylContact O-C 3.45Å; N308-H311 VanDerWaalsContact O-C 3.28Å; N308-H311 PolarHBondContact O-N 2.93Å; H311-D313 VanDerWaalsContact CB-CG 3.49Å; H311-D313 WeakPolarHBondContact CB-OD1 3.27Å; H311-D313 VanDerWaalsContact CB-OD2 3.28Å; H311-D313 WeakPolarHBondContact CB-OD2 3.43Å; H311-D313 PolarHBondContact O-N 3.43Å
312R59.2Low76.5Confident100 Ų10029.8 Ų29.838%0.37715%0.15SC..  trans-67.853.2-178.3-63-174.7-173.7-179.92.9111.5N306N306-R312 VanDerWaalsContact OD1-CA 3.31Å; N306-R312 WeakPolarHBondContact OD1-CA 3.42Å; N306-R312 VanDerWaalsContact OD1-CB 3.28Å; N306-R312 WeakPolarHBondContact OD1-CB 3.28Å; N306-R312 WeakPolarHBondContact OD1-CG 3.33Å
313D67.3Low76.9Confident40 Ų4029.6 Ų29.621%0.21415%0.15CC..  trans-75.5131.8-174.1-65.1-15.7000106.3A305 N306 H311 Y368A305-D313 CarbonylContact C-O 3.57Å; N306-D313 PolarHBondContact N-O 3.12Å; H311-D313 VanDerWaalsContact CB-CG 3.49Å; H311-D313 WeakPolarHBondContact CB-OD1 3.27Å; H311-D313 VanDerWaalsContact CB-OD2 3.28Å; H311-D313 WeakPolarHBondContact CB-OD2 3.43Å; H311-D313 PolarHBondContact O-N 3.43Å; D313-Y368 HydrophobicContact CB-CD2 4.44Å; D313-Y368 HydrophobicContact CB-CE2 3.8Å; D313-Y368 WeakPolarHBondContact OD1-CE2 3.48Å; D313-Y368 PolarHBondContact OD1-OH 2.85Å
314R77.7Confident77.4Confident5 Ų529.8 Ų29.82%0.01915%0.151CC..EExtended strand (participates in β ladder)trans-114.1140.8175.4-179.7-178.3160.9-172-5.8107.4I303 Q304 A305 D369 Y373I303-R314 HydrophobicContact CG2-CG 3.68Å; Q304-R314 CarbonylContact O-C 3.56Å; Q304-R314 WeakPolarHBondContact O-CA 3.38Å; A305-R314 HydrophobicContact CB-CB 4.22Å; A305-R314 HydrophobicContact CB-CG 4.2Å; R314-D369 HydrophobicContact CB-CB 4.07Å; R314-D369 WeakPolarHBondContact CB-O 3.49Å; R314-D369 WeakPolarHBondContact CD-OD2 3.49Å; R314-D369 HydrophobicContact CG-CB 3.93Å; R314-D369 IonicContact CZ-OD2 2.82Å; R314-D369 IonicContact NE-OD2 3.07Å; R314-D369 PolarHBondContact NE-OD2 2.96Å; R314-D369 IonicContact NH1-OD2 3.03Å; R314-D369 PolarHBondContact NH1-OD2 3.23Å; R314-D369 IonicContact NH2-OD2 3.26Å; R314-D369 PolarHBondContact NH2-OD2 3.18Å; R314-D369 VanDerWaalsContact NH2-OD2 3.14Å; R314-D369 PolarHBondContact O-N 3.22Å; R314-Y373 PolarHBondContact NH2-O 2.87Å
315I84Confident78.2Confident7 Ų728.8 Ų28.84%0.03615%0.146CC..EExtended strand (participates in β ladder)trans-121.6125.6177-54.8-172000107.6I303 Q304 M307 F317 F348 V367I303-I315 WeakPolarHBondContact CA-O 3.3Å; Q304-I315 PolarHBondContact N-O 3.41Å; Q304-I315 PolarHBondContact O-N 2.83Å; M307-I315 HydrophobicContact SD-CD1 3.61Å; M307-I315 HydrophobicContact SD-CG1 4.18Å; I315-F317 HydrophobicContact CB-CE2 4.42Å; I315-F317 HydrophobicContact CG2-CD2 4.48Å; I315-F317 HydrophobicContact CG2-CE2 4.34Å; I315-F348 HydrophobicContact CD1-CE1 4.23Å; I315-F348 HydrophobicContact CD1-CZ 3.76Å; I315-F348 HydrophobicContact CG2-CE2 4.37Å; I315-F348 HydrophobicContact CG2-CZ 4.01Å; I315-V367 WeakPolarHBondContact CA-O 3.43Å
316A89.3Confident79.3Confident0 Ų032.3 Ų32.30%016%0.162CC..EExtended strand (participates in β ladder)trans-91.9118.1166.700000108.5V300 I303 V367 D369 Y373V300-A316 HydrophobicContact CG1-CB 3.92Å; V300-A316 HydrophobicContact CG2-CB 4.23Å; I303-A316 HydrophobicContact CD1-CB 4.44Å; I303-A316 HydrophobicContact CG1-CB 4.22Å; A316-V367 PolarHBondContact N-O 3.47Å; A316-V367 PolarHBondContact O-N 2.98Å; A316-D369 HydrophobicContact CB-CB 4.47Å; A316-Y373 HydrophobicContact CB-CD2 3.71Å; A316-Y373 HydrophobicContact CB-CG 3.95Å
317F90.8Very high80.6Confident3 Ų337 Ų371%0.01318%0.179CC..EExtended strand (participates in β ladder)trans-84.1120.9175.7-67.2-101.1000108.6V74 V300 F301 K302 Q304 I315 F348 I364 I365V74-F317 HydrophobicContact CB-CD1 4.38Å; V74-F317 HydrophobicContact CB-CE1 4.15Å; V74-F317 HydrophobicContact CG2-CD1 3.59Å; V74-F317 HydrophobicContact CG2-CE1 3.67Å; V300-F317 WeakPolarHBondContact CA-O 3.19Å; F301-F317 HydrophobicContact CD1-CB 4.35Å; F301-F317 WeakPolarHBondContact CD1-O 3.32Å; F301-F317 HydrophobicContact CE1-CB 3.67Å; F301-F317 HydrophobicContact CE2-CB 4.35Å; F301-F317 HydrophobicContact CZ-CB 3.67Å; F301-F317 HydrophobicContact CZ-CG 4.49Å; F301-F317 PolarHBondContact N-O 3.15Å; F301-F317 VanDerWaalsContact N-O 3.09Å; K302-F317 HydrophobicContact CB-CB 4.08Å; K302-F317 HydrophobicContact CB-CD2 4.22Å; K302-F317 HydrophobicContact CB-CG 4.42Å; K302-F317 HydrophobicContact CD-CD2 3.77Å; K302-F317 HydrophobicContact CD-CE2 4.04Å; K302-F317 HydrophobicContact CD-CG 4.21Å; K302-F317 HydrophobicContact CG-CD2 3.89Å; K302-F317 HydrophobicContact CG-CE2 4.46Å; K302-F317 HydrophobicContact CG-CG 4.49Å; K302-F317 PolarHBondContact O-N 3.15Å; Q304-F317 HydrophobicContact CB-CE2 3.88Å; I315-F317 HydrophobicContact CB-CE2 4.42Å; I315-F317 HydrophobicContact CG2-CD2 4.48Å; I315-F317 HydrophobicContact CG2-CE2 4.34Å; F317-F348 HydrophobicContact CD1-CD2 4.14Å; F317-F348 AromaticContact CD1-CE2 3.72Å; F317-F348 HydrophobicContact CD1-CE2 3.72Å; F317-F348 HydrophobicContact CD1-CZ 4.46Å; F317-F348 AromaticContact CE1-CD2 3.5Å; F317-F348 HydrophobicContact CE1-CD2 3.5Å; F317-F348 HydrophobicContact CE1-CE1 4.28Å; F317-F348 AromaticContact CE1-CE2 3.1Å; F317-F348 HydrophobicContact CE1-CE2 3.1Å; F317-F348 HydrophobicContact CE1-CG 4.24Å; F317-F348 AromaticContact CE1-CZ 3.55Å; F317-F348 HydrophobicContact CE1-CZ 3.55Å; F317-F348 HydrophobicContact CZ-CD2 4.36Å; F317-F348 HydrophobicContact CZ-CE1 4.23Å; F317-F348 AromaticContact CZ-CE2 3.68Å; F317-F348 HydrophobicContact CZ-CE2 3.68Å; F317-F348 AromaticContact CZ-CZ 3.6Å; F317-F348 HydrophobicContact CZ-CZ 3.6Å; F317-I364 HydrophobicContact CB-CG2 4.4Å; F317-I364 HydrophobicContact CD1-CG2 4.17Å; F317-I365 WeakPolarHBondContact CA-O 3.49Å
318V93.7Very high82.1Confident0 Ų036 Ų360%018%0.179CC..EExtended strand (participates in β ladder)trans-111.4127.1-177.5179.90000108.5F299 V300 I364 I365 V367 L379F299-V318 VanDerWaalsContact O-CA 3.3Å; F299-V318 WeakPolarHBondContact O-CA 3.25Å; V300-V318 HydrophobicContact CG2-CG2 3.84Å; V318-I364 WeakPolarHBondContact O-CA 3.3Å; V318-I365 HydrophobicContact CB-CD1 4.39Å; V318-I365 HydrophobicContact CB-CG1 3.79Å; V318-I365 HydrophobicContact CG1-CG1 4.39Å; V318-I365 PolarHBondContact N-O 3.07Å; V318-I365 PolarHBondContact O-N 3.06Å; V318-V367 HydrophobicContact CG2-CG2 3.81Å; V318-L379 HydrophobicContact CG1-CD1 4.39Å; V318-L379 HydrophobicContact CG2-CD1 3.81Å
319R95.7Very high83.8Confident1 Ų134.2 Ų34.20%0.00417%0.17CC..EExtended strand (participates in β ladder)trans-79.8118.116516857.9179.2-153.9-4.2107.7T15 A105 D107 G298 F299 F301 C321 G362 I364T15-R319 PolarHBondContact OG1-NH1 3.24Å; A105-R319 HydrophobicContact CB-CB 4.09Å; A105-R319 HydrophobicContact CB-CG 4.48Å; A105-R319 WeakPolarHBondContact O-CD 3.19Å; A105-R319 PolarHBondContact O-NH1 3.22Å; D107-R319 IonicContact OD1-CZ 3.95Å; D107-R319 IonicContact OD1-NH2 2.67Å; D107-R319 PolarHBondContact OD1-NH2 3.17Å; D107-R319 IonicContact OD2-CZ 3.99Å; D107-R319 IonicContact OD2-NH1 2.73Å; D107-R319 PolarHBondContact OD2-NH1 3.35Å; D107-R319 IonicContact OD2-NH2 3.37Å; D107-R319 PolarHBondContact OD2-NH2 3.03Å; G298-R319 CarbonylContact C-O 3.31Å; G298-R319 WeakPolarHBondContact CA-O 3.47Å; F299-R319 HydrophobicContact CD1-CB 4.37Å; F299-R319 HydrophobicContact CD1-CG 4.5Å; F299-R319 HydrophobicContact CE1-CB 3.91Å; F299-R319 HydrophobicContact CE1-CG 3.72Å; F299-R319 HydrophobicContact CE2-CB 4.1Å; F299-R319 HydrophobicContact CZ-CB 3.75Å; F299-R319 HydrophobicContact CZ-CG 3.76Å; F299-R319 PolarHBondContact N-O 3.3Å; F299-R319 VanDerWaalsContact N-O 3.15Å; F299-R319 PolarHBondContact O-N 2.77Å; F301-R319 HydrophobicContact CD1-CB 4.13Å; F301-R319 HydrophobicContact CE1-CB 4.44Å; R319-C321 PolarHBondContact O-N 3.24Å; R319-G362 VanDerWaalsContact CZ-CA 3.44Å; R319-G362 VanDerWaalsContact NH1-CA 3.28Å; R319-G362 PolarHBondContact NH1-O 2.92Å; R319-I364 HydrophobicContact CB-CD1 4.03Å; R319-I364 HydrophobicContact CG-CD1 4.43Å
320V96.5Very high85.7Confident0 Ų035.4 Ų35.40%017%0.172CC..EExtended strand (participates in β ladder)trans-75.2123.8172.1-173.70000108.2F296 V360 A361 G362 D363 I365F296-V320 HydrophobicContact CD2-CG1 4.02Å; F296-V320 HydrophobicContact CE2-CB 4.37Å; F296-V320 HydrophobicContact CE2-CG1 3.76Å; F296-V320 HydrophobicContact CE2-CG2 3.89Å; V320-V360 WeakPolarHBondContact CB-O 3.26Å; V320-A361 WeakPolarHBondContact O-CA 3.4Å; V320-G362 PolarHBondContact O-N 3.36Å; V320-D363 WeakPolarHBondContact CG2-O 3.31Å; V320-D363 PolarHBondContact N-O 2.78Å; V320-I365 HydrophobicContact CG2-CD1 4.12Å; V320-I365 HydrophobicContact CG2-CG1 4.2Å; V320-I365 HydrophobicContact CG2-CG2 4.2Å
321C97Very high87.8Confident1 Ų128.8 Ų28.81%0.00714%0.137CC..EExtended strand (participates in β ladder)trans-105.6-32.7-175.4-67.90000112.5H281 P291 S297 F299 R319 A361 Y388H281-C321 VanDerWaalsContact CD2-SG 3.5Å; P291-C321 VanDerWaalsContact CA-O 3.31Å; P291-C321 WeakPolarHBondContact CA-O 3.44Å; S297-C321 PolarHBondContact O-N 3.1Å; F299-C321 WeakPolarHBondContact CD1-SG 3.36Å; F299-C321 WeakPolarHBondContact CE1-SG 3.43Å; R319-C321 PolarHBondContact O-N 3.24Å; C321-A361 WeakPolarHBondContact O-CB 3.32Å; C321-Y388 HydrophobicContact CB-CE1 4.13Å; C321-Y388 HydrophobicContact CB-CE2 4.03Å; C321-Y388 VanDerWaalsContact CB-CZ 3.48Å; C321-Y388 WeakPolarHBondContact CB-OH 3.33Å
322S96.1Very high89.8Confident0 Ų024.4 Ų24.40%012%0.118CC..EExtended strand (participates in β ladder)trans-152.3167176.578.90000112S290 E295 F296 S297S290-S322 VanDerWaalsContact O-CB 3.23Å; S290-S322 WeakPolarHBondContact O-CB 3.11Å; E295-S322 CarbonylContact O-C 3.4Å; E295-S322 PolarHBondContact O-OG 3.08Å; F296-S322 WeakPolarHBondContact CA-O 3.35Å; S297-S322 PolarHBondContact N-O 3.06Å; S297-S322 VanDerWaalsContact N-O 3.07Å; S297-S322 PolarHBondContact N-OG 3.12Å; S297-S322 PolarHBondContact O-N 3.42Å; S297-S322 PolarHBondContact OG-OG 3.38Å
323G93.8Very high91.5Very high0 Ų019.8 Ų19.80%010%0.1CC..SBendtrans67.1-163.217600000114.1E293 E295E293-G323 WeakPolarHBondContact O-CA 3.39Å; E293-G323 PolarHBondContact O-N 3.4Å; E295-G323 WeakPolarHBondContact O-CA 3.44Å; E295-G323 PolarHBondContact O-N 3.39Å
324T94.6Very high92.7Very high10 Ų1019.4 Ų19.46%0.06111%0.106CC..EExtended strand (participates in β ladder)trans-121.2120.9179.1-55.40000108.9N3 E326 E358 A359 V360N3-T324 PolarHBondContact ND2-OG1 3.08Å; N3-T324 VanDerWaalsContact ND2-OG1 3.09Å; T324-E326 HydrophobicContact CG2-CG 4.31Å; T324-E326 PolarHBondContact O-N 3.01Å; T324-E358 HydrophobicContact CG2-CG 3.35Å; T324-A359 CarbonylContact C-O 3.58Å; T324-A359 WeakPolarHBondContact CA-O 3.42Å; T324-V360 HydrophobicContact CG2-CG1 4.33Å
325F94.4Very high93.2Very high0 Ų024.5 Ų24.50%013%0.125CC..EExtended strand (participates in β ladder)trans-68.8125163.3166.7-100.8000108.7F296 M329 L342 V345 V356 E358 A359 I365F296-F325 HydrophobicContact CD2-CB 3.85Å; F296-F325 HydrophobicContact CE2-CB 3.73Å; F325-M329 HydrophobicContact CB-SD 4.42Å; F325-M329 HydrophobicContact CD2-CG 4.26Å; F325-M329 HydrophobicContact CD2-SD 3.65Å; F325-M329 HydrophobicContact CE2-CG 4.32Å; F325-M329 HydrophobicContact CE2-SD 4.28Å; F325-M329 HydrophobicContact CG-SD 4.4Å; F325-L342 HydrophobicContact CD2-CD1 4.07Å; F325-L342 HydrophobicContact CE2-CB 3.68Å; F325-L342 HydrophobicContact CE2-CD1 3.96Å; F325-L342 HydrophobicContact CE2-CG 4.5Å; F325-V345 HydrophobicContact CE1-CB 3.91Å; F325-V345 HydrophobicContact CE1-CG1 3.83Å; F325-V345 HydrophobicContact CE1-CG2 4.28Å; F325-V345 HydrophobicContact CE2-CB 4.2Å; F325-V345 HydrophobicContact CE2-CG1 4.33Å; F325-V345 HydrophobicContact CE2-CG2 3.66Å; F325-V345 HydrophobicContact CZ-CB 3.44Å; F325-V345 VanDerWaalsContact CZ-CB 3.44Å; F325-V345 HydrophobicContact CZ-CG1 3.73Å; F325-V345 HydrophobicContact CZ-CG2 3.35Å; F325-V356 HydrophobicContact CD1-CB 4.43Å; F325-V356 HydrophobicContact CD1-CG1 3.7Å; F325-V356 HydrophobicContact CE1-CB 3.93Å; F325-V356 HydrophobicContact CE1-CG1 3.66Å; F325-E358 VanDerWaalsContact O-CA 3.25Å; F325-E358 WeakPolarHBondContact O-CA 3.49Å; F325-A359 HydrophobicContact CB-CB 4.09Å; F325-A359 HydrophobicContact CD1-CB 4.12Å; F325-A359 PolarHBondContact N-O 2.9Å; F325-A359 PolarHBondContact O-N 3.21Å; F325-A359 VanDerWaalsContact O-N 3.1Å; F325-I365 HydrophobicContact CB-CD1 4.42Å; F325-I365 HydrophobicContact CD2-CD1 4Å; F325-I365 HydrophobicContact CG-CD1 4.05Å
326E92.7Very high93.5Very high81 Ų8127.5 Ų27.538%0.37914%0.144SC..EExtended strand (participates in β ladder)trans-116.9135.3169.6-68.5179.4-170.200109.4T324 G328 M329T324-E326 HydrophobicContact CG2-CG 4.31Å; T324-E326 PolarHBondContact O-N 3.01Å; E326-G328 PolarHBondContact O-N 3.14Å; E326-G328 VanDerWaalsContact O-N 3.16Å; E326-M329 PolarHBondContact N-SD 2.6Å; E326-M329 VanDerWaalsContact O-CB 3.28Å; E326-M329 WeakPolarHBondContact O-CB 3.18Å; E326-M329 VanDerWaalsContact O-CG 3.27Å; E326-M329 WeakPolarHBondContact O-CG 3.38Å; E326-M329 PolarHBondContact O-N 2.76Å
327R91.9Very high93.6Very high105 Ų10529.8 Ų29.840%0.39617%0.168SC..THydrogen-bonded Turntrans-56.7124.7-178.8-174.4178.5178.4-170.9-1.7111.9S343 E357R327-S343 PolarHBondContact NE-O 3.26Å; R327-E357 WeakPolarHBondContact CD-OE1 3.34Å; R327-E357 WeakPolarHBondContact CD-OE2 3.4Å; R327-E357 IonicContact CZ-OE1 2.81Å; R327-E357 PolarHBondContact N-O 2.76Å; R327-E357 IonicContact NH1-OE1 3.51Å; R327-E357 PolarHBondContact NH1-OE1 3.01Å
328G91.5Very high93.7Very high21 Ų2134.7 Ų34.722%0.21619%0.189CC..THydrogen-bonded Turntrans85.39.2179.300000114.4E326 K341 L342E326-G328 PolarHBondContact O-N 3.14Å; E326-G328 VanDerWaalsContact O-N 3.16Å; G328-K341 WeakPolarHBondContact O-CE 3.27Å; G328-K341 WeakPolarHBondContact O-CG 3.16Å; G328-L342 WeakPolarHBondContact CA-O 3.39Å; G328-L342 PolarHBondContact N-O 3.35Å
329M93.8Very high93.6Very high16 Ų1642.5 Ų42.58%0.07922%0.223CC..  trans-63.6156.3172.473-174.6-60.900112.9F296 F325 E326 V331 K341 L342 E381F296-M329 HydrophobicContact CB-CE 3.41Å; F296-M329 VanDerWaalsContact CB-CE 3.41Å; F296-M329 HydrophobicContact CB-SD 4.25Å; F296-M329 HydrophobicContact CD1-CE 4.05Å; F296-M329 HydrophobicContact CD1-SD 4.32Å; F296-M329 HydrophobicContact CD2-SD 4.47Å; F296-M329 HydrophobicContact CG-CE 3.81Å; F296-M329 HydrophobicContact CG-SD 4.09Å; F325-M329 HydrophobicContact CB-SD 4.42Å; F325-M329 HydrophobicContact CD2-CG 4.26Å; F325-M329 HydrophobicContact CD2-SD 3.65Å; F325-M329 HydrophobicContact CE2-CG 4.32Å; F325-M329 HydrophobicContact CE2-SD 4.28Å; F325-M329 HydrophobicContact CG-SD 4.4Å; E326-M329 PolarHBondContact N-SD 2.6Å; E326-M329 VanDerWaalsContact O-CB 3.28Å; E326-M329 WeakPolarHBondContact O-CB 3.18Å; E326-M329 VanDerWaalsContact O-CG 3.27Å; E326-M329 WeakPolarHBondContact O-CG 3.38Å; E326-M329 PolarHBondContact O-N 2.76Å; M329-V331 HydrophobicContact CE-CG1 4.13Å; M329-V331 HydrophobicContact CG-CG1 4.09Å; M329-V331 HydrophobicContact SD-CG1 4.28Å; M329-K341 WeakPolarHBondContact O-CA 3.48Å; M329-L342 HydrophobicContact CG-CB 4.41Å; M329-L342 HydrophobicContact CG-CD1 4.48Å; M329-L342 PolarHBondContact O-N 3.05Å; M329-E381 HydrophobicContact CE-CB 3.87Å; M329-E381 HydrophobicContact CE-CG 3.95Å; M329-E381 WeakPolarHBondContact CE-OE2 3.44Å
330D94.3Very high93.5Very high102 Ų10243.5 Ų43.555%0.54523%0.228SC..EExtended strand (participates in β ladder)trans-95.5124.9173.6-71.3-61.4000110.2
331V95.2Very high93.3Very high2 Ų249.9 Ų49.91%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-119.4158.5175.7-57.80000110.7F296 M329 K339 M340 L342 L379 Y380F296-V331 HydrophobicContact CD1-CG1 3.84Å; F296-V331 HydrophobicContact CE1-CG1 3.95Å; M329-V331 HydrophobicContact CE-CG1 4.13Å; M329-V331 HydrophobicContact CG-CG1 4.09Å; M329-V331 HydrophobicContact SD-CG1 4.28Å; V331-K339 CarbonylContact O-C 3.49Å; V331-K339 WeakPolarHBondContact O-CA 3.16Å; V331-M340 HydrophobicContact CG2-CB 4.49Å; V331-M340 PolarHBondContact N-O 3.35Å; V331-M340 PolarHBondContact O-N 3.19Å; V331-L342 HydrophobicContact CB-CD1 4.4Å; V331-L342 HydrophobicContact CB-CG 4.48Å; V331-L342 HydrophobicContact CG1-CD1 3.6Å; V331-L342 HydrophobicContact CG1-CG 3.98Å; V331-L342 HydrophobicContact CG2-CD1 3.89Å; V331-L342 HydrophobicContact CG2-CD2 3.8Å; V331-L342 HydrophobicContact CG2-CG 3.68Å; V331-L379 HydrophobicContact CG2-CB 4.44Å; V331-Y380 CarbonylContact C-O 3.49Å; V331-Y380 WeakPolarHBondContact CA-O 3.43Å
332T96.2Very high93.1Very high19 Ų1949.9 Ų49.912%0.11726%0.255CS..EExtended strand (participates in β ladder)trans-102.7131.1170.7-54.40000109.5G334 L379 Y380T332-G334 PolarHBondContact O-N 2.92Å; T332-L379 WeakPolarHBondContact O-CA 3.32Å; T332-Y380 HydrophobicContact CG2-CE1 4.21Å; T332-Y380 HydrophobicContact CG2-CE2 4.14Å; T332-Y380 VanDerWaalsContact CG2-OH 3.3Å; T332-Y380 WeakPolarHBondContact CG2-OH 3.23Å; T332-Y380 PolarHBondContact N-O 2.87Å; T332-Y380 PolarHBondContact O-N 3.49Å; T332-Y380 VanDerWaalsContact O-N 3.13Å
333L94.7Very high92.6Very high2 Ų252.3 Ų52.31%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-81.5108.1171175.258.1000109.6R335 T336 G337 K338 Y373 D377 L379L333-R335 PolarHBondContact O-N 3.34Å; L333-T336 HydrophobicContact CD2-CG2 4.16Å; L333-T336 WeakPolarHBondContact CD2-OG1 3.44Å; L333-T336 PolarHBondContact O-N 3.05Å; L333-T336 VanDerWaalsContact O-N 3.11Å; L333-G337 WeakPolarHBondContact O-CA 3.25Å; L333-G337 PolarHBondContact O-N 2.99Å; L333-K338 PolarHBondContact N-O 3.48Å; L333-Y373 HydrophobicContact CD1-CD1 4.28Å; L333-D377 HydrophobicContact CD1-CB 3.63Å; L333-D377 WeakPolarHBondContact CD1-OD2 3.34Å; L333-L379 HydrophobicContact CB-CD2 4.39Å; L333-L379 HydrophobicContact CD1-CD2 3.64Å
334G92.3Very high92.1Very high33 Ų3356.5 Ų56.534%0.3430%0.295SS..THydrogen-bonded Turntrans-51.6-49.6-17100000114.1T332 T336 T378T332-G334 PolarHBondContact O-N 2.92Å; G334-T336 VanDerWaalsContact C-N 3.26Å; G334-T336 PolarHBondContact O-N 3.45Å; G334-T336 VanDerWaalsContact O-N 3.16Å; G334-T378 PolarHBondContact N-O 3.02Å
335R89.8Confident91.6Very high111 Ų11156.1 Ų56.142%0.41929%0.293SS..THydrogen-bonded Turntrans-55.8-34.9-179.6178.617551.674.76.2114.5L333 N372 D377L333-R335 PolarHBondContact O-N 3.34Å; R335-N372 PolarHBondContact NH2-O 2.79Å; R335-D377 WeakPolarHBondContact CD-OD1 3.34Å; R335-D377 IonicContact CZ-OD1 3.26Å; R335-D377 IonicContact CZ-OD2 3.62Å; R335-D377 IonicContact NE-OD1 2.7Å; R335-D377 PolarHBondContact NE-OD1 3.45Å; R335-D377 IonicContact NE-OD2 3.57Å; R335-D377 IonicContact NH2-OD1 2.96Å; R335-D377 IonicContact NH2-OD2 2.86Å; R335-D377 PolarHBondContact NH2-OD2 3.07Å
336T89.9Confident90.9Very high71 Ų7157.3 Ų57.344%0.43630%0.3SS..THydrogen-bonded Turntrans-114.3-11.4-172.863.50000113.8L333 G334 K338L333-T336 HydrophobicContact CD2-CG2 4.16Å; L333-T336 WeakPolarHBondContact CD2-OG1 3.44Å; L333-T336 PolarHBondContact O-N 3.05Å; L333-T336 VanDerWaalsContact O-N 3.11Å; G334-T336 VanDerWaalsContact C-N 3.26Å; G334-T336 PolarHBondContact O-N 3.45Å; G334-T336 VanDerWaalsContact O-N 3.16Å; T336-K338 PolarHBondContact O-N 3.07Å; T336-K338 VanDerWaalsContact O-N 3.14Å; T336-K338 VanDerWaalsContact OG1-CB 3.24Å; T336-K338 WeakPolarHBondContact OG1-CB 3.08Å; T336-K338 PolarHBondContact OG1-N 3.1Å
337G90.8Very high90Very high47 Ų4754.1 Ų54.149%0.48529%0.285SS..THydrogen-bonded Turntrans64.75.6-168.700000114.4L333 K339L333-G337 WeakPolarHBondContact O-CA 3.25Å; L333-G337 PolarHBondContact O-N 2.99Å; G337-K339 PolarHBondContact O-N 3.4Å
338K92.4Very high88.9Confident106 Ų10650 Ų5046%0.46127%0.27SS..EExtended strand (participates in β ladder)trans-73.5128.2-176.5-172.3-177174.9-174.10110.2L333 T336 M340 N372L333-K338 PolarHBondContact N-O 3.48Å; T336-K338 PolarHBondContact O-N 3.07Å; T336-K338 VanDerWaalsContact O-N 3.14Å; T336-K338 VanDerWaalsContact OG1-CB 3.24Å; T336-K338 WeakPolarHBondContact OG1-CB 3.08Å; T336-K338 PolarHBondContact OG1-N 3.1Å; K338-M340 HydrophobicContact CD-CG 4.48Å; K338-M340 HydrophobicContact CD-SD 4.12Å; K338-M340 HydrophobicContact CG-CG 4.32Å; K338-N372 PolarHBondContact NZ-OD1 2.77Å
339K93.2Very high87.5Confident165 Ų16551.2 Ų51.272%0.71727%0.271SS*.EExtended strand (participates in β ladder)trans-74.3132.6170.1-65.5-168.6176.4-167.90110.7V331 G337V331-K339 CarbonylContact O-C 3.49Å; V331-K339 WeakPolarHBondContact O-CA 3.16Å; G337-K339 PolarHBondContact O-N 3.4Å
340M92.5Very high85.7Confident21 Ų2150.9 Ų50.910%0.10327%0.27CS..EExtended strand (participates in β ladder)trans-136.8144.3-177.7-53-131.1-57.800110.1V331 K338 N372 Y373V331-M340 HydrophobicContact CG2-CB 4.49Å; V331-M340 PolarHBondContact N-O 3.35Å; V331-M340 PolarHBondContact O-N 3.19Å; K338-M340 HydrophobicContact CD-CG 4.48Å; K338-M340 HydrophobicContact CD-SD 4.12Å; K338-M340 HydrophobicContact CG-CG 4.32Å; M340-N372 HydrophobicContact CE-CB 3.82Å; M340-N372 HydrophobicContact SD-CB 3.97Å; M340-Y373 HydrophobicContact CE-CD1 3.97Å; M340-Y373 HydrophobicContact CE-CE1 3.15Å; M340-Y373 HydrophobicContact CE-CE2 3.83Å; M340-Y373 WeakPolarHBondContact CE-OH 3.48Å
341K92.9Very high83.6Confident134 Ų13450.6 Ų50.658%0.58327%0.269SS*.EExtended strand (participates in β ladder)trans-100.6121180-171173.2-170.4174.50110.9G328 M329 S343G328-K341 WeakPolarHBondContact O-CE 3.27Å; G328-K341 WeakPolarHBondContact O-CG 3.16Å; M329-K341 WeakPolarHBondContact O-CA 3.48Å; K341-S343 PolarHBondContact O-N 2.94Å; K341-S343 VanDerWaalsContact O-N 3.12Å
342L91.9Very high81.8Confident1 Ų152.4 Ų52.41%0.00528%0.284CS..  trans-87.672-178.7-58.1-170.9000111.3F296 F325 G328 M329 V331 V345 V367 Y373F296-L342 HydrophobicContact CE1-CD1 4.36Å; F325-L342 HydrophobicContact CD2-CD1 4.07Å; F325-L342 HydrophobicContact CE2-CB 3.68Å; F325-L342 HydrophobicContact CE2-CD1 3.96Å; F325-L342 HydrophobicContact CE2-CG 4.5Å; G328-L342 WeakPolarHBondContact CA-O 3.39Å; G328-L342 PolarHBondContact N-O 3.35Å; M329-L342 HydrophobicContact CG-CB 4.41Å; M329-L342 HydrophobicContact CG-CD1 4.48Å; M329-L342 PolarHBondContact O-N 3.05Å; V331-L342 HydrophobicContact CB-CD1 4.4Å; V331-L342 HydrophobicContact CB-CG 4.48Å; V331-L342 HydrophobicContact CG1-CD1 3.6Å; V331-L342 HydrophobicContact CG1-CG 3.98Å; V331-L342 HydrophobicContact CG2-CD1 3.89Å; V331-L342 HydrophobicContact CG2-CD2 3.8Å; V331-L342 HydrophobicContact CG2-CG 3.68Å; L342-V345 HydrophobicContact CB-CG2 3.95Å; L342-V367 HydrophobicContact CD2-CG1 3.69Å; L342-V367 HydrophobicContact CD2-CG2 4.38Å; L342-Y373 VanDerWaalsContact CD2-OH 3.27Å; L342-Y373 WeakPolarHBondContact CD2-OH 3.43Å
343S86Confident80.4Confident52 Ų5257.2 Ų57.236%0.36430%0.3SS..  trans-90.2-31.8-175.449.90000114.8R327 K341R327-S343 PolarHBondContact NE-O 3.26Å; K341-S343 PolarHBondContact O-N 2.94Å; K341-S343 VanDerWaalsContact O-N 3.12Å
344N83.6Confident79.4Confident88 Ų8862 Ų6247%0.47132%0.322SS..SBendtrans-113.583.6-177.9-68-13.1000108.8Y368N344-Y368 WeakPolarHBondContact O-CB 3.38Å; N344-Y368 PolarHBondContact O-N 3.05Å; N344-Y368 VanDerWaalsContact O-N 3.12Å
345V83.7Confident78.7Confident1 Ų165 Ų651%0.00633%0.331CS..EExtended strand (participates in β ladder)trans-119.4127.8-179.4-179.50000109F325 L342 N355 V356 I365 G366 V367F325-V345 HydrophobicContact CE1-CB 3.91Å; F325-V345 HydrophobicContact CE1-CG1 3.83Å; F325-V345 HydrophobicContact CE1-CG2 4.28Å; F325-V345 HydrophobicContact CE2-CB 4.2Å; F325-V345 HydrophobicContact CE2-CG1 4.33Å; F325-V345 HydrophobicContact CE2-CG2 3.66Å; F325-V345 HydrophobicContact CZ-CB 3.44Å; F325-V345 VanDerWaalsContact CZ-CB 3.44Å; F325-V345 HydrophobicContact CZ-CG1 3.73Å; F325-V345 HydrophobicContact CZ-CG2 3.35Å; L342-V345 HydrophobicContact CB-CG2 3.95Å; V345-N355 WeakPolarHBondContact O-CA 3.43Å; V345-V356 HydrophobicContact CG1-CB 4.23Å; V345-V356 HydrophobicContact CG1-CG2 4.3Å; V345-V356 PolarHBondContact O-N 3.34Å; V345-I365 HydrophobicContact CG1-CB 3.62Å; V345-I365 HydrophobicContact CG1-CD1 4.09Å; V345-I365 HydrophobicContact CG1-CG1 4.22Å; V345-I365 HydrophobicContact CG1-CG2 4.21Å; V345-G366 CarbonylContact C-O 3.56Å; V345-G366 WeakPolarHBondContact CA-O 3.42Å; V345-V367 HydrophobicContact CG2-CG2 4.28Å
346T80Confident78.3Confident25 Ų2559.9 Ų59.915%0.15331%0.312CS..EExtended strand (participates in β ladder)trans-113.3140.3-176.957.20000111.3E354 G366T346-E354 CarbonylContact C-O 3.49Å; T346-E354 VanDerWaalsContact CA-O 3.28Å; T346-E354 WeakPolarHBondContact CA-O 3.1Å; T346-G366 PolarHBondContact N-O 3.05Å; T346-G366 WeakPolarHBondContact O-CA 3.49Å; T346-G366 PolarHBondContact O-N 3.44Å; T346-G366 PolarHBondContact OG1-O 3.22Å
347Q74.1Confident78.1Confident14 Ų1462 Ų627%0.06532%0.317CS..EExtended strand (participates in β ladder)trans-94.9144.2163.9-139.8150.6300108.2M349 E354 V356Q347-M349 PolarHBondContact O-N 3.26Å; Q347-E354 PolarHBondContact N-O 3.18Å; Q347-E354 PolarHBondContact O-N 3.03Å; Q347-V356 HydrophobicContact CB-CG2 3.44Å; Q347-V356 VanDerWaalsContact CB-CG2 3.44Å; Q347-V356 HydrophobicContact CG-CG2 3.98Å
348F68.9Low78.1Confident18 Ų1863.7 Ų63.78%0.07931%0.312CS..EExtended strand (participates in β ladder)trans-98.188.4175.3-61.4-85.3000108.5V74 M75 Q76 M307 I315 F317 R353V74-F348 HydrophobicContact CB-CB 4.28Å; V74-F348 HydrophobicContact CB-CD2 4.39Å; V74-F348 WeakPolarHBondContact O-CB 3.47Å; M75-F348 WeakPolarHBondContact CA-O 3.33Å; Q76-F348 PolarHBondContact N-O 3.28Å; M307-F348 HydrophobicContact CE-CE1 4.23Å; M307-F348 HydrophobicContact SD-CE1 4.42Å; I315-F348 HydrophobicContact CD1-CE1 4.23Å; I315-F348 HydrophobicContact CD1-CZ 3.76Å; I315-F348 HydrophobicContact CG2-CE2 4.37Å; I315-F348 HydrophobicContact CG2-CZ 4.01Å; F317-F348 HydrophobicContact CD1-CD2 4.14Å; F317-F348 AromaticContact CD1-CE2 3.72Å; F317-F348 HydrophobicContact CD1-CE2 3.72Å; F317-F348 HydrophobicContact CD1-CZ 4.46Å; F317-F348 AromaticContact CE1-CD2 3.5Å; F317-F348 HydrophobicContact CE1-CD2 3.5Å; F317-F348 HydrophobicContact CE1-CE1 4.28Å; F317-F348 AromaticContact CE1-CE2 3.1Å; F317-F348 HydrophobicContact CE1-CE2 3.1Å; F317-F348 HydrophobicContact CE1-CG 4.24Å; F317-F348 AromaticContact CE1-CZ 3.55Å; F317-F348 HydrophobicContact CE1-CZ 3.55Å; F317-F348 HydrophobicContact CZ-CD2 4.36Å; F317-F348 HydrophobicContact CZ-CE1 4.23Å; F317-F348 AromaticContact CZ-CE2 3.68Å; F317-F348 HydrophobicContact CZ-CE2 3.68Å; F317-F348 AromaticContact CZ-CZ 3.6Å; F317-F348 HydrophobicContact CZ-CZ 3.6Å; F348-R353 HydrophobicContact CD1-CG 4.24Å; F348-R353 HydrophobicContact CE1-CG 4.31Å
349M60.9Low78.2Confident48 Ų4858.6 Ų58.624%0.23629%0.29CS..BIsolated β-bridgetrans-73155.2166.3-58.8-55.1-145.900108.9Q76 Q347 D351 A352 E354Q76-M349 HydrophobicContact CB-SD 4.12Å; Q76-M349 HydrophobicContact CG-SD 4.49Å; Q347-M349 PolarHBondContact O-N 3.26Å; M349-D351 PolarHBondContact O-N 2.73Å; M349-A352 CarbonylContact C-O 3.47Å; M349-A352 WeakPolarHBondContact CA-O 3.43Å; M349-A352 WeakPolarHBondContact CB-O 3.44Å; M349-A352 PolarHBondContact N-O 3.11Å; M349-A352 VanDerWaalsContact O-O 3.07Å; M349-E354 HydrophobicContact CG-CG 4.18Å
350A56.3Low78.3Confident8 Ų850.8 Ų50.87%0.06626%0.256CS..SBendtrans-56.4-36.3-175.700000113.1L34 A39 I40 K49L34-A350 HydrophobicContact CB-CB 4.42Å; L34-A350 HydrophobicContact CD1-CB 4.21Å; L34-A350 HydrophobicContact CD2-CB 3.76Å; L34-A350 HydrophobicContact CG-CB 4.33Å; A39-A350 HydrophobicContact CB-CB 3.47Å; A39-A350 VanDerWaalsContact CB-CB 3.47Å; I40-A350 HydrophobicContact CG2-CB 3.96Å; K49-A350 PolarHBondContact NZ-O 2.77Å
351D50.4Low78.5Confident96 Ų9649.8 Ų49.851%0.51325%0.251SS..SBendtrans-103.2-28.9-176.766.8-16.4000113.9K49 M349K49-D351 VanDerWaalsContact NZ-C 3.31Å; K49-D351 VanDerWaalsContact NZ-CA 3.25Å; K49-D351 PolarHBondContact NZ-O 2.88Å; M349-D351 PolarHBondContact O-N 2.73Å
352A58.3Low78.6Confident41 Ų4143.4 Ų43.434%0.33922%0.223SC..  trans-138.1163.2-175.200000115.3M349 E354M349-A352 CarbonylContact C-O 3.47Å; M349-A352 WeakPolarHBondContact CA-O 3.43Å; M349-A352 WeakPolarHBondContact CB-O 3.44Å; M349-A352 PolarHBondContact N-O 3.11Å; M349-A352 VanDerWaalsContact O-O 3.07Å; A352-E354 HydrophobicContact CB-CG 4.43Å
353R66.4Low78.8Confident120 Ų12043.4 Ų43.445%0.45322%0.223SC..EExtended strand (participates in β ladder)trans-94.9120.3161.2-66.2-172.9-164.8165.712.6107.9M307 F348M307-R353 PolarHBondContact SD-NH2 3.18Å; M307-R353 VanDerWaalsContact SD-NH2 3.43Å; F348-R353 HydrophobicContact CD1-CG 4.24Å; F348-R353 HydrophobicContact CE1-CG 4.31Å
354E72.3Confident79.1Confident102 Ų10241 Ų4148%0.47721%0.206SC..EExtended strand (participates in β ladder)trans-111.5144.9176.6-61.7-167.1157.600109.5T346 Q347 M349 A352 V356T346-E354 CarbonylContact C-O 3.49Å; T346-E354 VanDerWaalsContact CA-O 3.28Å; T346-E354 WeakPolarHBondContact CA-O 3.1Å; Q347-E354 PolarHBondContact N-O 3.18Å; Q347-E354 PolarHBondContact O-N 3.03Å; M349-E354 HydrophobicContact CG-CG 4.18Å; A352-E354 HydrophobicContact CB-CG 4.43Å; E354-V356 PolarHBondContact O-N 2.96Å
355N78.6Confident79.5Confident96 Ų9636.8 Ų36.851%0.51318%0.184SC..EExtended strand (participates in β ladder)trans-70.9128.5170.7-68.6-47.2000108.1V345V345-N355 WeakPolarHBondContact O-CA 3.43Å
356V81.3Confident79.8Confident3 Ų336.7 Ų36.72%0.01818%0.183CC..  trans-79.1125.9176.7-179.10000108F325 V345 Q347 E354 E358 A359F325-V356 HydrophobicContact CD1-CB 4.43Å; F325-V356 HydrophobicContact CD1-CG1 3.7Å; F325-V356 HydrophobicContact CE1-CB 3.93Å; F325-V356 HydrophobicContact CE1-CG1 3.66Å; V345-V356 HydrophobicContact CG1-CB 4.23Å; V345-V356 HydrophobicContact CG1-CG2 4.3Å; V345-V356 PolarHBondContact O-N 3.34Å; Q347-V356 HydrophobicContact CB-CG2 3.44Å; Q347-V356 VanDerWaalsContact CB-CG2 3.44Å; Q347-V356 HydrophobicContact CG-CG2 3.98Å; E354-V356 PolarHBondContact O-N 2.96Å; V356-E358 VanDerWaalsContact CG1-C 3.47Å; V356-E358 VanDerWaalsContact CG1-O 3.23Å; V356-E358 WeakPolarHBondContact CG1-O 3.45Å; V356-A359 HydrophobicContact CG1-CB 3.93Å
357E85.7Confident80.3Confident116 Ų11635.7 Ų35.754%0.54218%0.177SC..SBendtrans-87.1-39.4167.1-64.5-59.314700110.9R327R327-E357 WeakPolarHBondContact CD-OE1 3.34Å; R327-E357 WeakPolarHBondContact CD-OE2 3.4Å; R327-E357 IonicContact CZ-OE1 2.81Å; R327-E357 PolarHBondContact N-O 2.76Å; R327-E357 IonicContact NH1-OE1 3.51Å; R327-E357 PolarHBondContact NH1-OE1 3.01Å
358E91.7Very high80.9Confident82 Ų8239.6 Ų39.638%0.38319%0.192SC..EExtended strand (participates in β ladder)trans-143.6140.2-178.7-166.8-171.8149.200111.7N3 Q9 T324 F325 V356N3-E358 PolarHBondContact ND2-OE1 3.4Å; Q9-E358 PolarHBondContact NE2-OE1 3.2Å; Q9-E358 PolarHBondContact OE1-OE1 2.84Å; T324-E358 HydrophobicContact CG2-CG 3.35Å; F325-E358 VanDerWaalsContact O-CA 3.25Å; F325-E358 WeakPolarHBondContact O-CA 3.49Å; V356-E358 VanDerWaalsContact CG1-C 3.47Å; V356-E358 VanDerWaalsContact CG1-O 3.23Å; V356-E358 WeakPolarHBondContact CG1-O 3.45Å
359A93.7Very high81.6Confident0 Ų038.9 Ų38.90%019%0.189CC..EExtended strand (participates in β ladder)trans-144.3150.6169.900000111T324 F325 V356 D363 I365T324-A359 CarbonylContact C-O 3.58Å; T324-A359 WeakPolarHBondContact CA-O 3.42Å; F325-A359 HydrophobicContact CB-CB 4.09Å; F325-A359 HydrophobicContact CD1-CB 4.12Å; F325-A359 PolarHBondContact N-O 2.9Å; F325-A359 PolarHBondContact O-N 3.21Å; F325-A359 VanDerWaalsContact O-N 3.1Å; V356-A359 HydrophobicContact CG1-CB 3.93Å; A359-D363 HydrophobicContact CB-CB 3.94Å; A359-I365 HydrophobicContact CB-CG2 3.59Å
360V95.8Very high82.5Confident0 Ų041.5 Ų41.50%021%0.208CC..EExtended strand (participates in β ladder)trans-124.1175.8-178.5-620000111.4L6 Q9 V10 V320 T324 G362 D363L6-V360 HydrophobicContact CD1-CB 4.17Å; L6-V360 HydrophobicContact CD1-CG1 3.87Å; Q9-V360 HydrophobicContact CB-CG1 4.19Å; Q9-V360 HydrophobicContact CB-CG2 3.91Å; V10-V360 HydrophobicContact CG2-CB 4.08Å; V10-V360 HydrophobicContact CG2-CG2 4.14Å; V320-V360 WeakPolarHBondContact CB-O 3.26Å; T324-V360 HydrophobicContact CG2-CG1 4.33Å; V360-G362 PolarHBondContact O-N 3.07Å; V360-D363 PolarHBondContact N-OD2 3.39Å; V360-D363 WeakPolarHBondContact O-CB 3.41Å; V360-D363 PolarHBondContact O-N 3.42Å
361A97Very high83.6Confident1 Ų142.5 Ų42.51%0.00822%0.219CC..THydrogen-bonded Turntrans-48.6133.8174.500000111.4V10 P278 P291 V320 C321V10-A361 HydrophobicContact CG1-CB 4.38Å; V10-A361 HydrophobicContact CG2-CB 3.98Å; P278-A361 HydrophobicContact CB-CB 4.3Å; P278-A361 WeakPolarHBondContact CG-O 3.39Å; P291-A361 HydrophobicContact CB-CB 3.71Å; V320-A361 WeakPolarHBondContact O-CA 3.4Å; C321-A361 WeakPolarHBondContact O-CB 3.32Å
362G95.2Very high85.3Confident0 Ų040.3 Ų40.30%021%0.207CC..THydrogen-bonded Turntrans103.5-38.1-169.700000113.7T15 N85 P278 R319 V320 V360T15-G362 PolarHBondContact OG1-O 2.88Å; N85-G362 PolarHBondContact ND2-O 3.41Å; N85-G362 VanDerWaalsContact ND2-O 3.11Å; P278-G362 VanDerWaalsContact CG-CA 3.5Å; R319-G362 VanDerWaalsContact CZ-CA 3.44Å; R319-G362 VanDerWaalsContact NH1-CA 3.28Å; R319-G362 PolarHBondContact NH1-O 2.92Å; V320-G362 PolarHBondContact O-N 3.36Å; V360-G362 PolarHBondContact O-N 3.07Å
363D94.9Very high86.7Confident0 Ų038.6 Ų38.60%019%0.192CC..  trans-73.4151-175.9-66.3-33.7000111.5R13 Q76 N85 V320 A359 V360R13-D363 WeakPolarHBondContact CG-OD1 3.23Å; R13-D363 IonicContact CZ-OD2 3.81Å; R13-D363 IonicContact NE-OD1 3.79Å; R13-D363 PolarHBondContact NE-OD1 2.86Å; R13-D363 IonicContact NE-OD2 3.53Å; R13-D363 PolarHBondContact NE-OD2 3.34Å; R13-D363 IonicContact NH2-OD2 2.88Å; R13-D363 PolarHBondContact NH2-OD2 3.38Å; Q76-D363 PolarHBondContact NE2-OD1 2.83Å; N85-D363 PolarHBondContact ND2-OD1 3.01Å; V320-D363 WeakPolarHBondContact CG2-O 3.31Å; V320-D363 PolarHBondContact N-O 2.78Å; A359-D363 HydrophobicContact CB-CB 3.94Å; V360-D363 PolarHBondContact N-OD2 3.39Å; V360-D363 WeakPolarHBondContact O-CB 3.41Å; V360-D363 PolarHBondContact O-N 3.42Å
364I92.7Very high87.6Confident1 Ų134.6 Ų34.61%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-110.2119.8174.1-54.2-57.2000108.5T15 V74 L87 F301 F317 V318 R319T15-I364 HydrophobicContact CG2-CD1 4.45Å; T15-I364 HydrophobicContact CG2-CG1 4.45Å; V74-I364 HydrophobicContact CB-CG2 4.43Å; V74-I364 HydrophobicContact CG1-CB 3.72Å; V74-I364 HydrophobicContact CG1-CG1 4.18Å; V74-I364 HydrophobicContact CG1-CG2 3.81Å; V74-I364 HydrophobicContact CG2-CG2 3.91Å; L87-I364 HydrophobicContact CD1-CD1 4.45Å; L87-I364 HydrophobicContact CD1-CG1 3.95Å; L87-I364 HydrophobicContact CD2-CD1 4.42Å; L87-I364 HydrophobicContact CD2-CG1 4.4Å; F301-I364 HydrophobicContact CE1-CD1 3.97Å; F301-I364 HydrophobicContact CE1-CG2 3.75Å; F301-I364 HydrophobicContact CZ-CD1 4.35Å; F301-I364 HydrophobicContact CZ-CG2 3.82Å; F317-I364 HydrophobicContact CB-CG2 4.4Å; F317-I364 HydrophobicContact CD1-CG2 4.17Å; V318-I364 WeakPolarHBondContact O-CA 3.3Å; R319-I364 HydrophobicContact CB-CD1 4.03Å; R319-I364 HydrophobicContact CG-CD1 4.43Å
365I91.9Very high88.3Confident0 Ų031 Ų310%016%0.162CC..EExtended strand (participates in β ladder)trans-111.1139.9-179.665.1176.2000111F296 F317 V318 V320 F325 V345 A359 V367F296-I365 HydrophobicContact CE2-CD1 4.33Å; F296-I365 HydrophobicContact CZ-CD1 4.19Å; F317-I365 WeakPolarHBondContact CA-O 3.49Å; V318-I365 HydrophobicContact CB-CD1 4.39Å; V318-I365 HydrophobicContact CB-CG1 3.79Å; V318-I365 HydrophobicContact CG1-CG1 4.39Å; V318-I365 PolarHBondContact N-O 3.07Å; V318-I365 PolarHBondContact O-N 3.06Å; V320-I365 HydrophobicContact CG2-CD1 4.12Å; V320-I365 HydrophobicContact CG2-CG1 4.2Å; V320-I365 HydrophobicContact CG2-CG2 4.2Å; F325-I365 HydrophobicContact CB-CD1 4.42Å; F325-I365 HydrophobicContact CD2-CD1 4Å; F325-I365 HydrophobicContact CG-CD1 4.05Å; V345-I365 HydrophobicContact CG1-CB 3.62Å; V345-I365 HydrophobicContact CG1-CD1 4.09Å; V345-I365 HydrophobicContact CG1-CG1 4.22Å; V345-I365 HydrophobicContact CG1-CG2 4.21Å; A359-I365 HydrophobicContact CB-CG2 3.59Å; I365-V367 HydrophobicContact CD1-CG2 4.26Å; I365-V367 HydrophobicContact CG1-CG2 4.29Å
366G89.8Confident88.9Confident0 Ų027.9 Ų27.90%015%0.153CC..EExtended strand (participates in β ladder)trans-94.8107.7172.800000110.8V345 T346V345-G366 CarbonylContact C-O 3.56Å; V345-G366 WeakPolarHBondContact CA-O 3.42Å; T346-G366 PolarHBondContact N-O 3.05Å; T346-G366 WeakPolarHBondContact O-CA 3.49Å; T346-G366 PolarHBondContact O-N 3.44Å; T346-G366 PolarHBondContact OG1-O 3.22Å
367V89.8Confident89.4Confident3 Ų328.1 Ų28.12%0.01815%0.154CC..EExtended strand (participates in β ladder)trans-91.2126.4177.1-175.80000109.7I315 A316 V318 L342 V345 I365 D369 Y373I315-V367 WeakPolarHBondContact CA-O 3.43Å; A316-V367 PolarHBondContact N-O 3.47Å; A316-V367 PolarHBondContact O-N 2.98Å; V318-V367 HydrophobicContact CG2-CG2 3.81Å; L342-V367 HydrophobicContact CD2-CG1 3.69Å; L342-V367 HydrophobicContact CD2-CG2 4.38Å; V345-V367 HydrophobicContact CG2-CG2 4.28Å; I365-V367 HydrophobicContact CD1-CG2 4.26Å; I365-V367 HydrophobicContact CG1-CG2 4.29Å; V367-D369 PolarHBondContact O-N 2.82Å; V367-Y373 HydrophobicContact CB-CE2 4.28Å; V367-Y373 HydrophobicContact CG1-CE2 3.59Å; V367-Y373 WeakPolarHBondContact CG1-OH 3.36Å
368Y86.5Confident89.9Confident97 Ų9723 Ų2338%0.3813%0.131SC..EExtended strand (participates in β ladder)trans-60.2125.6173.4-178.8-102.2000111D313 N344 T370D313-Y368 HydrophobicContact CB-CD2 4.44Å; D313-Y368 HydrophobicContact CB-CE2 3.8Å; D313-Y368 WeakPolarHBondContact OD1-CE2 3.48Å; D313-Y368 PolarHBondContact OD1-OH 2.85Å; N344-Y368 WeakPolarHBondContact O-CB 3.38Å; N344-Y368 PolarHBondContact O-N 3.05Å; N344-Y368 VanDerWaalsContact O-N 3.12Å; Y368-T370 HydrophobicContact CD1-CG2 4.22Å; Y368-T370 HydrophobicContact CE1-CG2 3.48Å; Y368-T370 VanDerWaalsContact CE1-CG2 3.48Å
369D84.1Confident90.1Very high3 Ų319.1 Ų19.12%0.01611%0.112CC..EExtended strand (participates in β ladder)trans-116.2129.7-175.4-169.511.4000111.3R314 A316 V367 G371 N372 Y373R314-D369 HydrophobicContact CB-CB 4.07Å; R314-D369 WeakPolarHBondContact CB-O 3.49Å; R314-D369 WeakPolarHBondContact CD-OD2 3.49Å; R314-D369 HydrophobicContact CG-CB 3.93Å; R314-D369 IonicContact CZ-OD2 2.82Å; R314-D369 IonicContact NE-OD2 3.07Å; R314-D369 PolarHBondContact NE-OD2 2.96Å; R314-D369 IonicContact NH1-OD2 3.03Å; R314-D369 PolarHBondContact NH1-OD2 3.23Å; R314-D369 IonicContact NH2-OD2 3.26Å; R314-D369 PolarHBondContact NH2-OD2 3.18Å; R314-D369 VanDerWaalsContact NH2-OD2 3.14Å; R314-D369 PolarHBondContact O-N 3.22Å; A316-D369 HydrophobicContact CB-CB 4.47Å; V367-D369 PolarHBondContact O-N 2.82Å; D369-G371 WeakPolarHBondContact OD1-CA 3.38Å; D369-G371 PolarHBondContact OD1-N 2.95Å; D369-N372 PolarHBondContact OD1-N 3.27Å; D369-Y373 HydrophobicContact CB-CD2 3.71Å; D369-Y373 HydrophobicContact CB-CE2 4.32Å; D369-Y373 WeakPolarHBondContact OD1-CD2 3.44Å; D369-Y373 PolarHBondContact OD1-N 3.26Å
370T80.3Confident90.2Very high102 Ų10220.1 Ų20.163%0.62612%0.116SC*.SBendtrans-99.39.2172.148.40000112.8Y368 N372Y368-T370 HydrophobicContact CD1-CG2 4.22Å; Y368-T370 HydrophobicContact CE1-CG2 3.48Å; Y368-T370 VanDerWaalsContact CE1-CG2 3.48Å; T370-N372 PolarHBondContact OG1-ND2 2.85Å
371G79.8Confident90.1Very high29 Ų2923.1 Ų23.130%0.29913%0.13SC..SBendtrans109.115.7-176.800000114.4D369D369-G371 WeakPolarHBondContact OD1-CA 3.38Å; D369-G371 PolarHBondContact OD1-N 2.95Å
372N85.1Confident89.6Confident50 Ų5025.4 Ų25.427%0.26715%0.154SC..  trans-88.2-34.6-177.4-61.7-69.8000112.4R335 K338 M340 D369 T370R335-N372 PolarHBondContact NH2-O 2.79Å; K338-N372 PolarHBondContact NZ-OD1 2.77Å; M340-N372 HydrophobicContact CE-CB 3.82Å; M340-N372 HydrophobicContact SD-CB 3.97Å; D369-N372 PolarHBondContact OD1-N 3.27Å; T370-N372 PolarHBondContact OG1-ND2 2.85Å
373Y88.4Confident89Confident6 Ų634.5 Ų34.52%0.02419%0.193CC..  trans-85.8158.9-174.7-56.9-67.2000111.8V300 R314 A316 L333 M340 L342 V367 D369 D377 L379V300-Y373 HydrophobicContact CG2-CD1 4.4Å; R314-Y373 PolarHBondContact NH2-O 2.87Å; A316-Y373 HydrophobicContact CB-CD2 3.71Å; A316-Y373 HydrophobicContact CB-CG 3.95Å; L333-Y373 HydrophobicContact CD1-CD1 4.28Å; M340-Y373 HydrophobicContact CE-CD1 3.97Å; M340-Y373 HydrophobicContact CE-CE1 3.15Å; M340-Y373 HydrophobicContact CE-CE2 3.83Å; M340-Y373 WeakPolarHBondContact CE-OH 3.48Å; L342-Y373 VanDerWaalsContact CD2-OH 3.27Å; L342-Y373 WeakPolarHBondContact CD2-OH 3.43Å; V367-Y373 HydrophobicContact CB-CE2 4.28Å; V367-Y373 HydrophobicContact CG1-CE2 3.59Å; V367-Y373 WeakPolarHBondContact CG1-OH 3.36Å; D369-Y373 HydrophobicContact CB-CD2 3.71Å; D369-Y373 HydrophobicContact CB-CE2 4.32Å; D369-Y373 WeakPolarHBondContact OD1-CD2 3.44Å; D369-Y373 PolarHBondContact OD1-N 3.26Å; Y373-D377 WeakPolarHBondContact CA-OD2 3.17Å; Y373-L379 HydrophobicContact CD1-CD2 4.02Å; Y373-L379 HydrophobicContact CE1-CD1 4Å; Y373-L379 HydrophobicContact CE1-CD2 3.59Å; Y373-L379 HydrophobicContact CE1-CG 4.43Å
374Q86.2Confident88.4Confident35 Ų3536.6 Ų36.616%0.16421%0.205CC..  trans-138.5155.2172.9-61.7-175.914.600108.7V300 G376 D377V300-Q374 WeakPolarHBondContact CB-O 3.45Å; V300-Q374 WeakPolarHBondContact CG1-O 3.32Å; Q374-G376 PolarHBondContact O-N 3.1Å; Q374-D377 PolarHBondContact N-OD2 3.25Å; Q374-D377 VanDerWaalsContact O-CB 3.24Å; Q374-D377 WeakPolarHBondContact O-CB 3.41Å; Q374-D377 PolarHBondContact O-N 2.94Å; Q374-D377 VanDerWaalsContact O-N 3.08Å
375I87Confident88Confident27 Ų2744.5 Ų44.514%0.13824%0.239CC..THydrogen-bonded Turntrans-58.2131.9170.3-69.5168.9000108.7I303 L391 E423I303-I375 HydrophobicContact CB-CG1 4.5Å; I303-I375 HydrophobicContact CD1-CG1 4.35Å; I303-I375 HydrophobicContact CG1-CG1 4.08Å; I375-L391 HydrophobicContact CG2-CD1 3.77Å; I375-E423 WeakPolarHBondContact CD1-O 3.39Å
376G89.8Confident88Confident31 Ų3145.2 Ų45.232%0.3224%0.243SC..THydrogen-bonded Turntrans91.6-10.6-175.300000114.3V300 Q374 T378V300-G376 PolarHBondContact O-N 2.98Å; Q374-G376 PolarHBondContact O-N 3.1Å; G376-T378 PolarHBondContact O-N 2.83Å
377D92.5Very high88.1Confident7 Ų747 Ų474%0.03726%0.258CS..  trans-61.9125.2-179.2-83.7-14.4000111.4F299 V300 L333 R335 Y373 Q374F299-D377 CarbonylContact C-O 3.59Å; F299-D377 WeakPolarHBondContact CA-O 3.4Å; V300-D377 HydrophobicContact CB-CB 4.34Å; V300-D377 HydrophobicContact CG2-CB 4.1Å; V300-D377 PolarHBondContact N-O 2.72Å; L333-D377 HydrophobicContact CD1-CB 3.63Å; L333-D377 WeakPolarHBondContact CD1-OD2 3.34Å; R335-D377 WeakPolarHBondContact CD-OD1 3.34Å; R335-D377 IonicContact CZ-OD1 3.26Å; R335-D377 IonicContact CZ-OD2 3.62Å; R335-D377 IonicContact NE-OD1 2.7Å; R335-D377 PolarHBondContact NE-OD1 3.45Å; R335-D377 IonicContact NE-OD2 3.57Å; R335-D377 IonicContact NH2-OD1 2.96Å; R335-D377 IonicContact NH2-OD2 2.86Å; R335-D377 PolarHBondContact NH2-OD2 3.07Å; Y373-D377 WeakPolarHBondContact CA-OD2 3.17Å; Q374-D377 PolarHBondContact N-OD2 3.25Å; Q374-D377 VanDerWaalsContact O-CB 3.24Å; Q374-D377 WeakPolarHBondContact O-CB 3.41Å; Q374-D377 PolarHBondContact O-N 2.94Å; Q374-D377 VanDerWaalsContact O-N 3.08Å
378T95.5Very high88.3Confident9 Ų947.3 Ų47.36%0.05526%0.259CS..EExtended strand (participates in β ladder)trans-86.4133.4170.8-62.10000110.8G298 G334 G376 Y380 V386 Y388G298-T378 WeakPolarHBondContact O-CA 3.33Å; G334-T378 PolarHBondContact N-O 3.02Å; G376-T378 PolarHBondContact O-N 2.83Å; T378-Y380 HydrophobicContact CG2-CD1 4.45Å; T378-V386 HydrophobicContact CG2-CG2 4.09Å; T378-V386 WeakPolarHBondContact CG2-O 3.49Å; T378-Y388 HydrophobicContact CG2-CD2 3.6Å; T378-Y388 HydrophobicContact CG2-CE2 3.92Å; T378-Y388 PolarHBondContact OG1-N 2.81Å; T378-Y388 VanDerWaalsContact OG1-N 3.1Å
379L95.8Very high88.4Confident0 Ų046.1 Ų46.10%026%0.257CS..EExtended strand (participates in β ladder)trans-111.4130.8171-51.6-176.9000108.3F296 S297 G298 V318 V331 T332 L333 Y373F296-L379 HydrophobicContact CE1-CB 4.18Å; S297-L379 CarbonylContact C-O 3.6Å; S297-L379 VanDerWaalsContact CA-O 3.25Å; S297-L379 WeakPolarHBondContact CA-O 3.38Å; G298-L379 PolarHBondContact N-O 3.18Å; G298-L379 PolarHBondContact O-N 2.96Å; V318-L379 HydrophobicContact CG1-CD1 4.39Å; V318-L379 HydrophobicContact CG2-CD1 3.81Å; V331-L379 HydrophobicContact CG2-CB 4.44Å; T332-L379 WeakPolarHBondContact O-CA 3.32Å; L333-L379 HydrophobicContact CB-CD2 4.39Å; L333-L379 HydrophobicContact CD1-CD2 3.64Å; Y373-L379 HydrophobicContact CD1-CD2 4.02Å; Y373-L379 HydrophobicContact CE1-CD1 4Å; Y373-L379 HydrophobicContact CE1-CD2 3.59Å; Y373-L379 HydrophobicContact CE1-CG 4.43Å
380Y95.7Very high88.3Confident22 Ų2252.9 Ų52.99%0.08629%0.288CS..EExtended strand (participates in β ladder)trans-141.4150.6175.764.2-96000111.7F296 V331 T332 T378 K385F296-Y380 CarbonylContact O-C 3.5Å; F296-Y380 WeakPolarHBondContact O-CA 3.29Å; V331-Y380 CarbonylContact C-O 3.49Å; V331-Y380 WeakPolarHBondContact CA-O 3.43Å; T332-Y380 HydrophobicContact CG2-CE1 4.21Å; T332-Y380 HydrophobicContact CG2-CE2 4.14Å; T332-Y380 VanDerWaalsContact CG2-OH 3.3Å; T332-Y380 WeakPolarHBondContact CG2-OH 3.23Å; T332-Y380 PolarHBondContact N-O 2.87Å; T332-Y380 PolarHBondContact O-N 3.49Å; T332-Y380 VanDerWaalsContact O-N 3.13Å; T378-Y380 HydrophobicContact CG2-CD1 4.45Å; Y380-K385 HydrophobicContact CE1-CG 4.36Å; Y380-K385 HydrophobicContact CE2-CB 4.12Å; Y380-K385 HydrophobicContact CE2-CG 4.38Å
381E94.3Very high88.4Confident62 Ų6248.9 Ų48.929%0.2926%0.263SS..  trans-90155.4171.5-175.2176.5-151.300111.1F296 M329 K383F296-E381 HydrophobicContact CB-CB 3.99Å; F296-E381 PolarHBondContact N-OE2 3.2Å; F296-E381 PolarHBondContact O-N 2.8Å; M329-E381 HydrophobicContact CE-CB 3.87Å; M329-E381 HydrophobicContact CE-CG 3.95Å; M329-E381 WeakPolarHBondContact CE-OE2 3.44Å; E381-K383 PolarHBondContact O-N 3.43Å
382G86.9Confident88.1Confident49 Ų4948.5 Ų48.551%0.50526%0.255SS..THydrogen-bonded Turntrans63-128.6161.800000114.3E295E295-G382 WeakPolarHBondContact OE1-CA 3.41Å
383K81.1Confident87.3Confident191 Ų19147.9 Ų47.983%0.8325%0.254SS*.THydrogen-bonded Turntrans-106.8-7.7-173.3-69.7-176-177.4176.10114.2E295 E381 K385E295-K383 PolarHBondContact OE1-N 3.11Å; E295-K383 PolarHBondContact OE2-N 2.8Å; E381-K383 PolarHBondContact O-N 3.43Å; K383-K385 PolarHBondContact O-N 2.82Å
384L82.4Confident86.4Confident45 Ų4550 Ų5024%0.23626%0.264CS..  trans-48.9-35.9-177.2-172.156.3000113.4E295 V386E295-L384 HydrophobicContact CB-CB 4.31Å; E295-L384 HydrophobicContact CB-CD2 4.34Å; E295-L384 WeakPolarHBondContact OE2-CA 3.44Å; E295-L384 VanDerWaalsContact OE2-CB 3.3Å; E295-L384 WeakPolarHBondContact OE2-CB 3.07Å; E295-L384 PolarHBondContact OE2-N 2.89Å; L384-V386 VanDerWaalsContact C-N 3.27Å; L384-V386 HydrophobicContact CD1-CG1 3.95Å; L384-V386 HydrophobicContact CD2-CG1 4.3Å; L384-V386 HydrophobicContact CD2-CG2 4.12Å; L384-V386 HydrophobicContact CG-CB 4.44Å; L384-V386 HydrophobicContact CG-CG1 3.65Å; L384-V386 HydrophobicContact CG-CG2 4.05Å; L384-V386 PolarHBondContact O-N 2.8Å; L384-V386 VanDerWaalsContact O-N 3.1Å
385K86.1Confident85.9Confident166 Ų16649.7 Ų49.772%0.72227%0.265SS*.  trans36.356.3175.6-162.2-172.5174.3-168.60113.1Y380 K383Y380-K385 HydrophobicContact CE1-CG 4.36Å; Y380-K385 HydrophobicContact CE2-CB 4.12Å; Y380-K385 HydrophobicContact CE2-CG 4.38Å; K383-K385 PolarHBondContact O-N 2.82Å
386V90.1Very high85.7Confident15 Ų1548.5 Ų48.59%0.09126%0.259CS..  trans-90.5151.8177-74.50000111.6T283 V289 T378 L384 Y388T283-V386 HydrophobicContact CG2-CB 4.41Å; T283-V386 HydrophobicContact CG2-CG1 4.21Å; V289-V386 HydrophobicContact CG2-CB 4.4Å; V289-V386 HydrophobicContact CG2-CG1 3.67Å; T378-V386 HydrophobicContact CG2-CG2 4.09Å; T378-V386 WeakPolarHBondContact CG2-O 3.49Å; L384-V386 VanDerWaalsContact C-N 3.27Å; L384-V386 HydrophobicContact CD1-CG1 3.95Å; L384-V386 HydrophobicContact CD2-CG1 4.3Å; L384-V386 HydrophobicContact CD2-CG2 4.12Å; L384-V386 HydrophobicContact CG-CB 4.44Å; L384-V386 HydrophobicContact CG-CG1 3.65Å; L384-V386 HydrophobicContact CG-CG2 4.05Å; L384-V386 PolarHBondContact O-N 2.8Å; L384-V386 VanDerWaalsContact O-N 3.1Å; V386-Y388 HydrophobicContact CG2-CE2 4.23Å
387A92.4Very high85.3Confident37 Ų3753 Ų5331%0.30627%0.272SS..  trans-129.8114.8166.700000107.7T283 E284T283-A387 CarbonylContact C-O 3.45Å; T283-A387 WeakPolarHBondContact CA-O 3.37Å; T283-A387 WeakPolarHBondContact CB-O 3.39Å; E284-A387 HydrophobicContact CG-CB 4.23Å; E284-A387 PolarHBondContact N-O 2.75Å
388Y93.2Very high85.3Confident10 Ų1054.5 Ų54.54%0.03928%0.279CS..BIsolated β-bridgetrans-74.7154.9179.4-72-65.5000112H281 E284 V289 S297 F299 C321 T378 V386H281-Y388 HydrophobicContact CB-CD1 3.84Å; H281-Y388 HydrophobicContact CB-CE1 3.53Å; E284-Y388 WeakPolarHBondContact CG-O 3.27Å; V289-Y388 HydrophobicContact CB-CE1 4.15Å; V289-Y388 HydrophobicContact CG2-CE1 3.94Å; S297-Y388 PolarHBondContact OG-OH 3.3Å; F299-Y388 HydrophobicContact CB-CD2 3.93Å; F299-Y388 HydrophobicContact CB-CG 4.45Å; F299-Y388 AromaticContact CD1-CD2 3.9Å; F299-Y388 HydrophobicContact CD1-CD2 3.9Å; F299-Y388 HydrophobicContact CD1-CE2 4.43Å; F299-Y388 HydrophobicContact CD1-CG 4.01Å; F299-Y388 HydrophobicContact CG-CD2 4.39Å; C321-Y388 HydrophobicContact CB-CE1 4.13Å; C321-Y388 HydrophobicContact CB-CE2 4.03Å; C321-Y388 VanDerWaalsContact CB-CZ 3.48Å; C321-Y388 WeakPolarHBondContact CB-OH 3.33Å; T378-Y388 HydrophobicContact CG2-CD2 3.6Å; T378-Y388 HydrophobicContact CG2-CE2 3.92Å; T378-Y388 PolarHBondContact OG1-N 2.81Å; T378-Y388 VanDerWaalsContact OG1-N 3.1Å; V386-Y388 HydrophobicContact CG2-CE2 4.23Å
389E88.6Confident85.2Confident73 Ų7354.3 Ų54.334%0.34128%0.277SS..PPolyproline II helixtrans-47.9141174.6-71.7-178.8145.200112.2K282 L391K282-E389 HydrophobicContact CB-CG 3.91Å; K282-E389 PolarHBondContact O-N 3.02Å; E389-L391 PolarHBondContact O-N 3.09Å
390E82.4Confident85.2Confident144 Ų14455.1 Ų55.167%0.67328%0.282SS*.PPolyproline II helixtrans-58.2135.7176.1-65.9-173.5167.100111.3
391L82.6Confident85.2Confident19 Ų1957 Ų5710%0.09929%0.29CS..PPolyproline II helixtrans-71.1142.4173.7-63.3174.9000109.6R101 M104 F299 V300 F301 I375 E389 S393R101-L391 HydrophobicContact CG-CB 4.37Å; M104-L391 HydrophobicContact CB-CD2 3.47Å; M104-L391 VanDerWaalsContact CB-CD2 3.47Å; M104-L391 HydrophobicContact CG-CD2 3.68Å; F299-L391 HydrophobicContact CD2-CD1 4.48Å; F299-L391 HydrophobicContact CD2-CD2 4.21Å; F299-L391 HydrophobicContact CE2-CD2 3.98Å; V300-L391 WeakPolarHBondContact O-CD1 3.27Å; F301-L391 HydrophobicContact CB-CD1 4.15Å; I375-L391 HydrophobicContact CG2-CD1 3.77Å; E389-L391 PolarHBondContact O-N 3.09Å; L391-S393 PolarHBondContact O-N 3.16Å
392P73Confident85.3Confident21 Ų2154.1 Ų54.114%0.13628%0.277CS..PPolyproline II helixtrans-59.1128.8179.725.1-33000110.6M104 F394M104-P392 HydrophobicContact CG-CG 4.18Å; P392-F394 HydrophobicContact CB-CE2 4.44Å
393S69.8Low85.6Confident36 Ų3654.6 Ų54.625%0.25227%0.27SS..  trans-121.5125.8174.163.80000109.1L391L391-S393 PolarHBondContact O-N 3.16Å
394F70Confident86.3Confident50 Ų5046.7 Ų46.722%0.21924%0.241CC..PPolyproline II helixtrans-83142.4-177.9-66-89.2000110.3E97 Y100 P392 P396 Q427 V442E97-F394 HydrophobicContact CB-CD2 3.91Å; E97-F394 HydrophobicContact CB-CE2 4.46Å; E97-F394 HydrophobicContact CG-CD2 3.85Å; E97-F394 HydrophobicContact CG-CE2 4.37Å; Y100-F394 HydrophobicContact CD2-CD2 4.08Å; Y100-F394 AromaticContact CD2-CE1 3.9Å; Y100-F394 HydrophobicContact CD2-CE1 3.9Å; Y100-F394 AromaticContact CD2-CE2 3.07Å; Y100-F394 HydrophobicContact CD2-CE2 3.07Å; Y100-F394 AromaticContact CD2-CZ 2.94Å; Y100-F394 HydrophobicContact CD2-CZ 2.94Å; Y100-F394 AromaticContact CE2-CE1 3.62Å; Y100-F394 HydrophobicContact CE2-CE1 3.62Å; Y100-F394 AromaticContact CE2-CE2 3.67Å; Y100-F394 HydrophobicContact CE2-CE2 3.67Å; Y100-F394 AromaticContact CE2-CZ 3.13Å; Y100-F394 HydrophobicContact CE2-CZ 3.13Å; Y100-F394 AromaticContact CG-CE2 3.95Å; Y100-F394 HydrophobicContact CG-CE2 3.95Å; Y100-F394 AromaticContact CG-CZ 3.82Å; Y100-F394 HydrophobicContact CG-CZ 3.82Å; P392-F394 HydrophobicContact CB-CE2 4.44Å; F394-P396 VanDerWaalsContact O-CD 3.32Å; F394-P396 WeakPolarHBondContact O-CD 3.45Å; F394-Q427 PolarHBondContact O-NE2 3.42Å; F394-V442 HydrophobicContact CB-CG2 3.89Å
395T74.3Confident86.8Confident30 Ų3050.4 Ų50.418%0.18426%0.255CS..PPolyproline II helixtrans-69.6118.5165.7-59.70000108.5A472 W474 L524T395-A472 HydrophobicContact CG2-CB 3.8Å; T395-W474 HydrophobicContact CG2-CZ3 4.4Å; T395-L524 PolarHBondContact OG1-N 3.18Å; T395-L524 PolarHBondContact OG1-O 2.91Å
396P82.9Confident87Confident1 Ų146.5 Ų46.51%0.00624%0.242CC..PPolyproline II helixtrans-66.5146.8178.923.5-27.6000110.5F394 F399 Q427 Y429 A441F394-P396 VanDerWaalsContact O-CD 3.32Å; F394-P396 WeakPolarHBondContact O-CD 3.45Å; P396-F399 HydrophobicContact CB-CE2 4.49Å; P396-F399 HydrophobicContact CB-CZ 4.14Å; P396-F399 HydrophobicContact CG-CE1 4.05Å; P396-F399 HydrophobicContact CG-CZ 3.72Å; P396-F399 WeakPolarHBondContact O-CE2 3.39Å; P396-F399 WeakPolarHBondContact O-CZ 3.42Å; P396-Q427 VanDerWaalsContact CD-OE1 3.24Å; P396-Q427 HydrophobicContact CG-CB 4.41Å; P396-Y429 VanDerWaalsContact CD-OH 3.32Å; P396-Y429 WeakPolarHBondContact CD-OH 3.44Å; P396-Y429 HydrophobicContact CG-CE2 3.85Å; P396-Y429 WeakPolarHBondContact CG-OH 3.43Å; P396-A441 WeakPolarHBondContact CB-O 3.17Å
397E82.7Confident86.9Confident127 Ų12751.2 Ų51.259%0.59327%0.27SS*.  trans-105.7-27.9179.4-62.6-168.9172.400112.1A441 N469 K470E397-A441 PolarHBondContact N-O 3.24Å; E397-N469 VanDerWaalsContact O-CA 3.26Å; E397-N469 WeakPolarHBondContact O-CA 3.12Å; E397-K470 PolarHBondContact O-N 3.5Å
398L91.2Very high86.8Confident38 Ų3857.3 Ų57.320%0.19930%0.295CS..EExtended strand (participates in β ladder)trans-103.2133.9-179.3-55177.6000110.1G440 A441 Q444 F447 N469L398-G440 WeakPolarHBondContact O-CA 3.36Å; L398-A441 PolarHBondContact N-O 2.93Å; L398-A441 VanDerWaalsContact N-O 3.09Å; L398-A441 PolarHBondContact O-N 3Å; L398-Q444 HydrophobicContact CD1-CB 4.35Å; L398-F447 HydrophobicContact CB-CE2 3.64Å; L398-F447 HydrophobicContact CB-CZ 4.06Å; L398-F447 HydrophobicContact CD1-CE2 4.4Å; L398-F447 WeakPolarHBondContact O-CZ 3.49Å; L398-N469 WeakPolarHBondContact CD2-OD1 3.3Å
399F94.6Very high86.7Confident4 Ų461 Ų612%0.01831%0.311CS..EExtended strand (participates in β ladder)trans-130.4138.9-178.1-66.1-99.1000111.6P396 Y429 I438 I439 M467 K470 A472 L502P396-F399 HydrophobicContact CB-CE2 4.49Å; P396-F399 HydrophobicContact CB-CZ 4.14Å; P396-F399 HydrophobicContact CG-CE1 4.05Å; P396-F399 HydrophobicContact CG-CZ 3.72Å; P396-F399 WeakPolarHBondContact O-CE2 3.39Å; P396-F399 WeakPolarHBondContact O-CZ 3.42Å; F399-Y429 HydrophobicContact CD1-CD2 4.28Å; F399-Y429 HydrophobicContact CD1-CE2 4.32Å; F399-Y429 AromaticContact CE1-CD2 3.89Å; F399-Y429 HydrophobicContact CE1-CD2 3.89Å; F399-Y429 AromaticContact CE1-CE2 3.57Å; F399-Y429 HydrophobicContact CE1-CE2 3.57Å; F399-Y429 HydrophobicContact CZ-CE2 4.46Å; F399-I438 HydrophobicContact CB-CG2 4.31Å; F399-I438 HydrophobicContact CD1-CG2 3.89Å; F399-I439 WeakPolarHBondContact CA-O 3.4Å; F399-M467 HydrophobicContact CB-CB 4.12Å; F399-M467 HydrophobicContact CB-SD 4.5Å; F399-M467 WeakPolarHBondContact O-CB 3.38Å; F399-M467 PolarHBondContact O-N 3.44Å; F399-K470 HydrophobicContact CB-CG 4.3Å; F399-K470 HydrophobicContact CD2-CB 3.46Å; F399-K470 VanDerWaalsContact CD2-CB 3.46Å; F399-K470 HydrophobicContact CD2-CG 3.76Å; F399-K470 HydrophobicContact CE2-CB 3.58Å; F399-K470 HydrophobicContact CE2-CG 4.37Å; F399-K470 HydrophobicContact CG-CB 4.22Å; F399-K470 HydrophobicContact CG-CG 4.13Å; F399-K470 HydrophobicContact CZ-CB 4.39Å; F399-A472 HydrophobicContact CZ-CB 4.01Å; F399-L502 HydrophobicContact CD1-CD1 4.01Å; F399-L502 HydrophobicContact CD1-CD2 4.07Å; F399-L502 HydrophobicContact CE1-CD1 4.21Å; F399-L502 HydrophobicContact CE1-CD2 3.45Å; F399-L502 VanDerWaalsContact CE1-CD2 3.45Å; F399-L502 HydrophobicContact CE1-CG 4.49Å; F399-L502 HydrophobicContact CE2-CD2 4.39Å; F399-L502 HydrophobicContact CZ-CD2 3.64Å
400M95Very high86.7Confident18 Ų1862.4 Ų62.49%0.08932%0.317CS..EExtended strand (participates in β ladder)trans-132.5137.8173.3-62.6-169176.200110.5I438 I439 F447 M464 T465M400-I438 CarbonylContact O-C 3.58Å; M400-I438 WeakPolarHBondContact O-CA 3.26Å; M400-I439 HydrophobicContact CB-CD1 4.47Å; M400-I439 HydrophobicContact CB-CG1 4.03Å; M400-I439 PolarHBondContact N-O 2.73Å; M400-I439 WeakPolarHBondContact O-CG1 3.39Å; M400-I439 PolarHBondContact O-N 3.11Å; M400-F447 HydrophobicContact CB-CE1 4.32Å; M400-F447 HydrophobicContact CB-CZ 4.41Å; M400-F447 HydrophobicContact CE-CB 4.22Å; M400-F447 HydrophobicContact CE-CD2 3.35Å; M400-F447 HydrophobicContact CE-CE2 3.75Å; M400-F447 HydrophobicContact CE-CG 3.87Å; M400-F447 HydrophobicContact CG-CD1 4.33Å; M400-F447 HydrophobicContact CG-CD2 4.17Å; M400-F447 HydrophobicContact CG-CE1 4.09Å; M400-F447 HydrophobicContact CG-CE2 3.88Å; M400-F447 HydrophobicContact CG-CG 4.37Å; M400-F447 HydrophobicContact CG-CZ 3.83Å; M400-F447 HydrophobicContact SD-CB 4.06Å; M400-F447 HydrophobicContact SD-CD1 4.02Å; M400-F447 HydrophobicContact SD-CD2 3.73Å; M400-F447 HydrophobicContact SD-CE1 4.38Å; M400-F447 HydrophobicContact SD-CE2 4.07Å; M400-F447 HydrophobicContact SD-CG 3.68Å; M400-F447 HydrophobicContact SD-CZ 4.38Å; M400-M464 HydrophobicContact CB-CB 4.46Å; M400-M464 HydrophobicContact SD-CB 3.84Å; M400-M464 HydrophobicContact SD-CG 4.43Å; M400-M464 HydrophobicContact SD-SD 3.85Å; M400-T465 WeakPolarHBondContact CA-O 3.5Å
401K95.7Very high87.1Confident60 Ų6064.6 Ų64.626%0.26133%0.325SS..EExtended strand (participates in β ladder)trans-78131.8164.8-179174.5173.6174.50108.4E436 M464 T465 M467K401-E436 VanDerWaalsContact CE-CD 3.43Å; K401-E436 WeakPolarHBondContact CE-OE1 3.38Å; K401-E436 VanDerWaalsContact CE-OE2 3.25Å; K401-E436 WeakPolarHBondContact CE-OE2 3.4Å; K401-E436 IonicContact NZ-OE1 2.62Å; K401-E436 PolarHBondContact NZ-OE1 2.8Å; K401-E436 IonicContact NZ-OE2 3.35Å; K401-E436 PolarHBondContact NZ-OE2 3.42Å; K401-M464 CarbonylContact O-C 3.58Å; K401-M464 WeakPolarHBondContact O-CA 3.19Å; K401-T465 PolarHBondContact N-O 3.24Å; K401-T465 PolarHBondContact O-N 2.78Å; K401-M467 HydrophobicContact CB-CG 4.41Å; K401-M467 HydrophobicContact CB-SD 4.2Å
402V95.4Very high87.5Confident2 Ų265.3 Ų65.31%0.01233%0.331CS..EExtended strand (participates in β ladder)trans-121.7133.4-177660000111.2F413 I417 Y437 I439 F450 V462 M464V402-F413 HydrophobicContact CG1-CZ 4.32Å; V402-F413 HydrophobicContact CG2-CE2 3.91Å; V402-F413 HydrophobicContact CG2-CZ 4.31Å; V402-I417 HydrophobicContact CG1-CD1 3.87Å; V402-Y437 PolarHBondContact N-O 3.14Å; V402-I439 HydrophobicContact CB-CD1 4.33Å; V402-I439 HydrophobicContact CB-CG1 4.4Å; V402-I439 HydrophobicContact CG1-CG1 4.38Å; V402-I439 HydrophobicContact CG1-CG2 3.78Å; V402-F450 HydrophobicContact CG2-CE1 3.9Å; V402-F450 HydrophobicContact CG2-CZ 4.28Å; V402-V462 HydrophobicContact CG2-CB 3.91Å; V402-V462 HydrophobicContact CG2-CG1 4.14Å; V402-M464 HydrophobicContact CG2-CG 4.31Å
403T94.5Very high88.4Confident59 Ų5964.6 Ų64.636%0.36233%0.326SS..EExtended strand (participates in β ladder)trans-135.2153.1175.257.30000110.8K405 V462 V463T403-K405 PolarHBondContact O-N 3.3Å; T403-V462 CarbonylContact O-C 3.59Å; T403-V462 WeakPolarHBondContact O-CA 3.26Å; T403-V463 PolarHBondContact N-O 2.9Å; T403-V463 PolarHBondContact O-N 3.4Å
404A94.5Very high89.5Confident26 Ų2665.7 Ų65.722%0.21533%0.327CS..EExtended strand (participates in β ladder)trans-70.7128.517100000109.6N406 F413A404-N406 VanDerWaalsContact C-N 3.25Å; A404-N406 PolarHBondContact O-N 3.44Å; A404-F413 HydrophobicContact CB-CB 3.95Å; A404-F413 HydrophobicContact CB-CD1 4.01Å; A404-F413 HydrophobicContact CB-CD2 4.04Å; A404-F413 HydrophobicContact CB-CG 3.74Å
405K93.4Very high90.3Very high123 Ų12367.7 Ų67.754%0.53534%0.335SS..SBendtrans-64.7-33.2176.8-167.8-174.2-179-176.20112.1T403 E461 V463T403-K405 PolarHBondContact O-N 3.3Å; K405-E461 HydrophobicContact CB-CB 4.22Å; K405-E461 HydrophobicContact CB-CG 4.36Å; K405-E461 WeakPolarHBondContact CB-O 3.4Å; K405-E461 HydrophobicContact CD-CB 4.32Å; K405-E461 HydrophobicContact CD-CG 3.84Å; K405-E461 WeakPolarHBondContact CD-OE1 3.47Å; K405-E461 WeakPolarHBondContact CD-OE2 3.42Å; K405-E461 PolarHBondContact N-O 3.14Å; K405-E461 IonicContact NZ-OE1 2.63Å; K405-E461 PolarHBondContact NZ-OE1 3.11Å; K405-E461 IonicContact NZ-OE2 2.96Å; K405-E461 PolarHBondContact NZ-OE2 2.61Å; K405-V463 HydrophobicContact CB-CG2 3.85Å; K405-V463 HydrophobicContact CG-CG2 3.87Å
406N91Very high91Very high83 Ų8366.2 Ų66.244%0.44433%0.327SS..SBendtrans-121.1119.2179-174.4-15.1000110.5A404 M408 K409A404-N406 VanDerWaalsContact C-N 3.25Å; A404-N406 PolarHBondContact O-N 3.44Å; N406-M408 PolarHBondContact O-N 3.11Å; N406-M408 WeakPolarHBondContact OD1-CB 3.29Å; N406-M408 PolarHBondContact OD1-N 2.92Å; N406-K409 HydrophobicContact CB-CG 4.46Å; N406-K409 PolarHBondContact O-N 3.44Å
407V88.7Confident91.4Very high114 Ų11466.2 Ų66.269%0.69133%0.326SS*.G310 helixtrans-56.3-32.2178.6-176.90000112K409 Q410V407-K409 PolarHBondContact O-N 3.13Å; V407-K409 VanDerWaalsContact O-N 3.11Å; V407-Q410 VanDerWaalsContact O-CB 3.31Å; V407-Q410 WeakPolarHBondContact O-CB 3.23Å; V407-Q410 PolarHBondContact O-N 3.04Å; V407-Q410 VanDerWaalsContact O-N 3.12Å
408M90.2Very high91.6Very high166 Ų16664.9 Ų64.982%0.81832%0.316SS*.G310 helixtrans-64.5-17.4177.7-63.2-61-69.400113.5N406N406-M408 PolarHBondContact O-N 3.11Å; N406-M408 WeakPolarHBondContact OD1-CB 3.29Å; N406-M408 PolarHBondContact OD1-N 2.92Å
409K89.9Confident91.2Very high88 Ų8864.6 Ų64.638%0.38331%0.314SS..G310 helixtrans-99.610.9178.4-63.3-62.7-168.6174.10113.4N406 V407 K411 S412 F413 N459N406-K409 HydrophobicContact CB-CG 4.46Å; N406-K409 PolarHBondContact O-N 3.44Å; V407-K409 PolarHBondContact O-N 3.13Å; V407-K409 VanDerWaalsContact O-N 3.11Å; K409-K411 VanDerWaalsContact C-N 3.33Å; K409-K411 PolarHBondContact O-N 3.34Å; K409-S412 WeakPolarHBondContact O-CB 3.37Å; K409-S412 PolarHBondContact O-N 3.47Å; K409-F413 PolarHBondContact O-N 2.88Å; K409-N459 WeakPolarHBondContact CD-O 3.33Å; K409-N459 WeakPolarHBondContact CE-O 2.95Å
410Q89.5Confident90.8Very high101 Ų10164.4 Ų64.447%0.47231%0.314SS..Hα-helixtrans-56.7-39.5-174.1-168.817721.400114V407 F413 H414V407-Q410 VanDerWaalsContact O-CB 3.31Å; V407-Q410 WeakPolarHBondContact O-CB 3.23Å; V407-Q410 PolarHBondContact O-N 3.04Å; V407-Q410 VanDerWaalsContact O-N 3.12Å; Q410-F413 WeakPolarHBondContact O-CB 3.49Å; Q410-F413 PolarHBondContact O-N 3.37Å; Q410-H414 PolarHBondContact O-N 2.81Å
411K90.3Very high90.3Very high191 Ų19163.8 Ų63.883%0.8331%0.311SS*.Hα-helixtrans-63.6-43176-70.8-172.4-179.9-1780112.7K409 F413 K415K409-K411 VanDerWaalsContact C-N 3.33Å; K409-K411 PolarHBondContact O-N 3.34Å; K411-F413 VanDerWaalsContact C-N 3.33Å; K411-K415 WeakPolarHBondContact O-CB 3.39Å; K411-K415 PolarHBondContact O-N 3.18Å; K411-K415 VanDerWaalsContact O-N 3.09Å
412S90.5Very high89.5Confident33 Ų3363 Ų6323%0.23131%0.308CS..Hα-helixtrans-64.6-40.7175-78.40000111.5K409 K415 G416 Y458K409-S412 WeakPolarHBondContact O-CB 3.37Å; K409-S412 PolarHBondContact O-N 3.47Å; S412-K415 PolarHBondContact O-N 2.92Å; S412-G416 PolarHBondContact O-N 3.02Å; S412-Y458 WeakPolarHBondContact CB-O 3.29Å; S412-Y458 PolarHBondContact OG-O 3.49Å; S412-Y458 VanDerWaalsContact OG-O 3.08Å
413F93.4Very high88.7Confident7 Ų763.5 Ų63.53%0.03131%0.31CS..Hα-helixtrans-60.9-52.2177.8168.6-106.6000112.1V402 A404 K409 Q410 K411 K415 G416 I417 Y437 M454 A460 V462V402-F413 HydrophobicContact CG1-CZ 4.32Å; V402-F413 HydrophobicContact CG2-CE2 3.91Å; V402-F413 HydrophobicContact CG2-CZ 4.31Å; A404-F413 HydrophobicContact CB-CB 3.95Å; A404-F413 HydrophobicContact CB-CD1 4.01Å; A404-F413 HydrophobicContact CB-CD2 4.04Å; A404-F413 HydrophobicContact CB-CG 3.74Å; K409-F413 PolarHBondContact O-N 2.88Å; Q410-F413 WeakPolarHBondContact O-CB 3.49Å; Q410-F413 PolarHBondContact O-N 3.37Å; K411-F413 VanDerWaalsContact C-N 3.33Å; F413-K415 PolarHBondContact O-N 2.81Å; F413-G416 PolarHBondContact O-N 2.89Å; F413-I417 HydrophobicContact CD1-CD1 4.42Å; F413-I417 HydrophobicContact CD2-CD1 4.13Å; F413-I417 HydrophobicContact CD2-CG1 4.44Å; F413-I417 HydrophobicContact CE1-CD1 3.77Å; F413-I417 HydrophobicContact CE2-CD1 3.41Å; F413-I417 VanDerWaalsContact CE2-CD1 3.41Å; F413-I417 HydrophobicContact CE2-CG1 4.1Å; F413-I417 HydrophobicContact CZ-CD1 3.21Å; F413-I417 HydrophobicContact CZ-CG1 4.32Å; F413-I417 PolarHBondContact O-N 2.95Å; F413-Y437 AromaticContact CE1-CD2 3.62Å; F413-Y437 HydrophobicContact CE1-CD2 3.62Å; F413-Y437 AromaticContact CE1-CE2 3.84Å; F413-Y437 HydrophobicContact CE1-CE2 3.84Å; F413-Y437 AromaticContact CZ-CD2 3.93Å; F413-Y437 HydrophobicContact CZ-CD2 3.93Å; F413-M454 HydrophobicContact CB-CE 4.34Å; F413-M454 HydrophobicContact CD2-CE 3.59Å; F413-M454 HydrophobicContact CE2-CE 4.35Å; F413-M454 HydrophobicContact CG-CE 4.33Å; F413-M454 WeakPolarHBondContact O-CE 3.43Å; F413-A460 HydrophobicContact CB-CB 4.27Å; F413-V462 HydrophobicContact CD2-CG1 3.66Å; F413-V462 HydrophobicContact CE2-CG1 3.7Å
414H91.7Very high87.9Confident59 Ų5961.1 Ų61.127%0.27330%0.297SS..Hα-helixtrans-59.5-46.8176.4-65.5163.9000111.3Q410 G416 I417 Y418 Y437Q410-H414 PolarHBondContact O-N 2.81Å; H414-G416 VanDerWaalsContact C-N 3.31Å; H414-G416 PolarHBondContact O-N 3.08Å; H414-I417 PolarHBondContact O-N 2.58Å; H414-Y418 HydrophobicContact CB-CD2 4.42Å; H414-Y418 HydrophobicContact CB-CE2 4.31Å; H414-Y418 WeakPolarHBondContact O-CD2 3.43Å; H414-Y418 PolarHBondContact O-N 2.73Å; H414-Y437 AromaticContact CD2-CE2 3.47Å; H414-Y437 VanDerWaalsContact CD2-CE2 3.47Å; H414-Y437 WeakPolarHBondContact CD2-CE2 3.47Å; H414-Y437 AromaticContact CD2-CZ 3.99Å; H414-Y437 AromaticContact NE2-CE2 3.65Å
415K87.9Confident87Confident91 Ų9160.9 Ų60.940%0.39630%0.295SS..Hα-helixtrans-57.9-44177.9-177.8174.7177.61740112K411 S412 F413 Q419 Y458K411-K415 WeakPolarHBondContact O-CB 3.39Å; K411-K415 PolarHBondContact O-N 3.18Å; K411-K415 VanDerWaalsContact O-N 3.09Å; S412-K415 PolarHBondContact O-N 2.92Å; F413-K415 PolarHBondContact O-N 2.81Å; K415-Q419 WeakPolarHBondContact O-CB 3.42Å; K415-Q419 WeakPolarHBondContact O-CG 3.4Å; K415-Q419 PolarHBondContact O-N 2.88Å; K415-Q419 VanDerWaalsContact O-N 3.09Å; K415-Y458 HydrophobicContact CG-CD1 4.48Å; K415-Y458 HydrophobicContact CG-CE1 4.31Å
416G88.9Confident86.6Confident0 Ų055.2 Ų55.20%027%0.271CS..Hα-helixtrans-63.6-49.2178.600000112.5S412 F413 H414 Y418 Q419 L420 M454 Y458S412-G416 PolarHBondContact O-N 3.02Å; F413-G416 PolarHBondContact O-N 2.89Å; H414-G416 VanDerWaalsContact C-N 3.31Å; H414-G416 PolarHBondContact O-N 3.08Å; G416-Y418 PolarHBondContact O-N 2.98Å; G416-Q419 PolarHBondContact O-N 2.93Å; G416-L420 WeakPolarHBondContact O-CB 3.29Å; G416-L420 VanDerWaalsContact O-CG 3.23Å; G416-L420 WeakPolarHBondContact O-CG 3.09Å; G416-L420 PolarHBondContact O-N 3.46Å; G416-M454 VanDerWaalsContact C-SD 3.55Å; G416-Y458 VanDerWaalsContact CA-CD1 3.42Å; G416-Y458 VanDerWaalsContact CA-CG 3.5Å
417I91.1Very high86.5Confident0 Ų052.7 Ų52.70%026%0.256CS..Hα-helixtrans-54.3-55175.7-76.2-175.6000110.7V402 F413 H414 Q419 L420 V421 L428 Y437 F450 M454V402-I417 HydrophobicContact CG1-CD1 3.87Å; F413-I417 HydrophobicContact CD1-CD1 4.42Å; F413-I417 HydrophobicContact CD2-CD1 4.13Å; F413-I417 HydrophobicContact CD2-CG1 4.44Å; F413-I417 HydrophobicContact CE1-CD1 3.77Å; F413-I417 HydrophobicContact CE2-CD1 3.41Å; F413-I417 VanDerWaalsContact CE2-CD1 3.41Å; F413-I417 HydrophobicContact CE2-CG1 4.1Å; F413-I417 HydrophobicContact CZ-CD1 3.21Å; F413-I417 HydrophobicContact CZ-CG1 4.32Å; F413-I417 PolarHBondContact O-N 2.95Å; H414-I417 PolarHBondContact O-N 2.58Å; I417-Q419 VanDerWaalsContact C-N 3.31Å; I417-Q419 PolarHBondContact O-N 2.86Å; I417-L420 PolarHBondContact O-N 3.21Å; I417-V421 HydrophobicContact CG2-CG2 4.19Å; I417-V421 WeakPolarHBondContact O-CB 3.34Å; I417-V421 WeakPolarHBondContact O-CG2 3.27Å; I417-V421 PolarHBondContact O-N 3.09Å; I417-L428 HydrophobicContact CG2-CD1 3.54Å; I417-L428 HydrophobicContact CG2-CD2 3.77Å; I417-L428 HydrophobicContact CG2-CG 4.25Å; I417-Y437 HydrophobicContact CD1-CD2 3.88Å; I417-Y437 HydrophobicContact CD1-CE2 4.34Å; I417-Y437 HydrophobicContact CD1-CG 4.07Å; I417-F450 HydrophobicContact CG1-CE2 4.16Å; I417-F450 HydrophobicContact CG1-CZ 3.91Å; I417-M454 HydrophobicContact CG1-CE 4.39Å; I417-M454 HydrophobicContact CG1-SD 4.5Å
418Y86.9Confident86.7Confident99 Ų9947.5 Ų47.539%0.38823%0.225SC..Hα-helixtrans-62.1-39-175.5-74.6-63.9000112.7H414 G416 Q422 L428 Y437H414-Y418 HydrophobicContact CB-CD2 4.42Å; H414-Y418 HydrophobicContact CB-CE2 4.31Å; H414-Y418 WeakPolarHBondContact O-CD2 3.43Å; H414-Y418 PolarHBondContact O-N 2.73Å; G416-Y418 PolarHBondContact O-N 2.98Å; Y418-Q422 WeakPolarHBondContact O-CB 3.48Å; Y418-Q422 WeakPolarHBondContact O-CG 3.22Å; Y418-Q422 PolarHBondContact O-N 2.94Å; Y418-L428 HydrophobicContact CD1-CD2 4.21Å; Y418-L428 HydrophobicContact CE1-CD2 3.9Å; Y418-Y437 PolarHBondContact OH-OH 2.77Å
419Q83Confident86.9Confident32 Ų3239.7 Ų39.715%0.1519%0.186CC..Hα-helixtrans-69-45.8178.3-73.1-171.7-14.800112.1K415 G416 I417 V421 Q422 E423 Y458K415-Q419 WeakPolarHBondContact O-CB 3.42Å; K415-Q419 WeakPolarHBondContact O-CG 3.4Å; K415-Q419 PolarHBondContact O-N 2.88Å; K415-Q419 VanDerWaalsContact O-N 3.09Å; G416-Q419 PolarHBondContact O-N 2.93Å; I417-Q419 VanDerWaalsContact C-N 3.31Å; I417-Q419 PolarHBondContact O-N 2.86Å; Q419-V421 VanDerWaalsContact C-N 3.26Å; Q419-V421 PolarHBondContact O-N 3.27Å; Q419-Q422 WeakPolarHBondContact O-CB 3.33Å; Q419-Q422 PolarHBondContact O-N 2.94Å; Q419-Q422 VanDerWaalsContact O-N 3.13Å; Q419-E423 WeakPolarHBondContact O-CG 3.16Å; Q419-E423 PolarHBondContact O-N 3.28Å; Q419-Y458 HydrophobicContact CB-CE1 4.49Å; Q419-Y458 VanDerWaalsContact CB-OH 3.27Å; Q419-Y458 WeakPolarHBondContact CB-OH 3.2Å; Q419-Y458 VanDerWaalsContact OE1-CZ 3.31Å; Q419-Y458 PolarHBondContact OE1-OH 2.57Å
420L84.4Confident87.2Confident1 Ų137 Ų371%0.00518%0.175CC..Hα-helixtrans-64.2-32.2178.8-66.8174.9000112.7G416 I417 G424 A425 I426 F450 R453 M454 Y458G416-L420 WeakPolarHBondContact O-CB 3.29Å; G416-L420 VanDerWaalsContact O-CG 3.23Å; G416-L420 WeakPolarHBondContact O-CG 3.09Å; G416-L420 PolarHBondContact O-N 3.46Å; I417-L420 PolarHBondContact O-N 3.21Å; L420-G424 PolarHBondContact O-N 3.01Å; L420-A425 WeakPolarHBondContact O-CB 3.47Å; L420-A425 PolarHBondContact O-N 2.71Å; L420-A425 VanDerWaalsContact O-N 3.09Å; L420-I426 HydrophobicContact CB-CG1 4.32Å; L420-F450 HydrophobicContact CB-CD2 4.23Å; L420-F450 HydrophobicContact CB-CE2 4.44Å; L420-F450 HydrophobicContact CD1-CD2 3.42Å; L420-F450 VanDerWaalsContact CD1-CD2 3.42Å; L420-F450 HydrophobicContact CD1-CE2 3.65Å; L420-F450 HydrophobicContact CD1-CG 4.42Å; L420-F450 HydrophobicContact CG-CD2 4.44Å; L420-R453 HydrophobicContact CD1-CB 4.12Å; L420-R453 HydrophobicContact CD2-CB 3.99Å; L420-R453 VanDerWaalsContact CD2-NH1 3.29Å; L420-M454 HydrophobicContact CD1-CG 3.85Å; L420-M454 HydrophobicContact CD1-SD 3.66Å; L420-Y458 HydrophobicContact CD1-CE2 4.33Å; L420-Y458 HydrophobicContact CD2-CE2 4.41Å; L420-Y458 HydrophobicContact CG-CE2 4.2Å
421V86.1Confident87.4Confident5 Ų533.1 Ų33.13%0.0316%0.158CC..Hα-helixtrans-72.4-37.4174.9171.80000111.5I417 Q419 E423 G424 I426 L428I417-V421 HydrophobicContact CG2-CG2 4.19Å; I417-V421 WeakPolarHBondContact O-CB 3.34Å; I417-V421 WeakPolarHBondContact O-CG2 3.27Å; I417-V421 PolarHBondContact O-N 3.09Å; Q419-V421 VanDerWaalsContact C-N 3.26Å; Q419-V421 PolarHBondContact O-N 3.27Å; V421-E423 VanDerWaalsContact C-N 3.3Å; V421-G424 PolarHBondContact O-N 3.12Å; V421-G424 VanDerWaalsContact O-N 3.09Å; V421-I426 WeakPolarHBondContact CA-O 3.02Å; V421-I426 HydrophobicContact CG2-CD1 3.59Å; V421-I426 HydrophobicContact CG2-CG1 3.89Å; V421-L428 HydrophobicContact CB-CB 4.31Å; V421-L428 HydrophobicContact CG1-CB 3.79Å; V421-L428 HydrophobicContact CG2-CB 3.61Å; V421-L428 HydrophobicContact CG2-CD2 4.45Å; V421-L428 HydrophobicContact CG2-CG 4.44Å
422Q79.3Confident87.5Confident44 Ų4426.6 Ų26.621%0.20613%0.128CC..Hα-helixtrans-69.8-28.9175.3-75.9173.8-20.200112.6Y418 Q419 G424Y418-Q422 WeakPolarHBondContact O-CB 3.48Å; Y418-Q422 WeakPolarHBondContact O-CG 3.22Å; Y418-Q422 PolarHBondContact O-N 2.94Å; Q419-Q422 WeakPolarHBondContact O-CB 3.33Å; Q419-Q422 PolarHBondContact O-N 2.94Å; Q419-Q422 VanDerWaalsContact O-N 3.13Å; Q422-G424 PolarHBondContact O-N 3.26Å
423E77.3Confident87.3Confident12 Ų1231.3 Ų31.36%0.05615%0.15CC..THydrogen-bonded Turntrans-72.1-10.7169.4-69.5176.7-115.100113.1I303 A305 I375 Q419 V421 A425 R453I303-E423 HydrophobicContact CG2-CG 4.03Å; A305-E423 VanDerWaalsContact CB-CD 3.44Å; A305-E423 HydrophobicContact CB-CG 4.25Å; A305-E423 WeakPolarHBondContact CB-OE1 3.3Å; A305-E423 VanDerWaalsContact N-CD 3.35Å; A305-E423 PolarHBondContact N-OE2 3.07Å; A305-E423 VanDerWaalsContact N-OE2 3.09Å; I375-E423 WeakPolarHBondContact CD1-O 3.39Å; Q419-E423 WeakPolarHBondContact O-CG 3.16Å; Q419-E423 PolarHBondContact O-N 3.28Å; V421-E423 VanDerWaalsContact C-N 3.3Å; E423-A425 PolarHBondContact O-N 3.25Å; E423-R453 VanDerWaalsContact CD-NH2 3.31Å; E423-R453 IonicContact OE1-CZ 3.81Å; E423-R453 IonicContact OE1-NH1 3.21Å; E423-R453 IonicContact OE1-NH2 2.76Å; E423-R453 PolarHBondContact OE1-NH2 3.27Å; E423-R453 IonicContact OE2-CZ 3.75Å; E423-R453 VanDerWaalsContact OE2-CZ 3.26Å; E423-R453 IonicContact OE2-NH1 2.87Å; E423-R453 PolarHBondContact OE2-NH1 3.12Å; E423-R453 IonicContact OE2-NH2 3.96Å; E423-R453 PolarHBondContact OE2-NH2 2.92Å
424G77.6Confident87.2Confident9 Ų935.4 Ų35.49%0.09318%0.176CC..THydrogen-bonded Turntrans6824-175.900000113.1L420 V421 Q422L420-G424 PolarHBondContact O-N 3.01Å; V421-G424 PolarHBondContact O-N 3.12Å; V421-G424 VanDerWaalsContact O-N 3.09Å; Q422-G424 PolarHBondContact O-N 3.26Å
425A75.5Confident87.2Confident21 Ų2136.5 Ų36.517%0.17418%0.184CC..SBendtrans-75.6-31.1175.900000111.9L420 E423 Q446L420-A425 WeakPolarHBondContact O-CB 3.47Å; L420-A425 PolarHBondContact O-N 2.71Å; L420-A425 VanDerWaalsContact O-N 3.09Å; E423-A425 PolarHBondContact O-N 3.25Å; A425-Q446 PolarHBondContact O-NE2 2.82Å
426I86.4Confident87.5Confident3 Ų335.8 Ų35.82%0.01518%0.182CC..SBendtrans-145.8158.2175.551.1141.1000109.4L420 V421 I439 F450L420-I426 HydrophobicContact CB-CG1 4.32Å; V421-I426 WeakPolarHBondContact CA-O 3.02Å; V421-I426 HydrophobicContact CG2-CD1 3.59Å; V421-I426 HydrophobicContact CG2-CG1 3.89Å; I426-I439 HydrophobicContact CD1-CB 4.06Å; I426-I439 HydrophobicContact CD1-CG2 3.49Å; I426-I439 VanDerWaalsContact CD1-CG2 3.49Å; I426-F450 HydrophobicContact CD1-CD2 3.46Å; I426-F450 VanDerWaalsContact CD1-CD2 3.46Å; I426-F450 HydrophobicContact CD1-CE2 3.4Å; I426-F450 VanDerWaalsContact CD1-CE2 3.4Å; I426-F450 HydrophobicContact CD1-CG 4.3Å; I426-F450 HydrophobicContact CD1-CZ 4.21Å; I426-F450 HydrophobicContact CG1-CD2 3.77Å; I426-F450 HydrophobicContact CG1-CE2 4.19Å; I426-F450 HydrophobicContact CG2-CB 3.87Å; I426-F450 HydrophobicContact CG2-CD2 4.16Å; I426-F450 HydrophobicContact CG2-CG 4.13Å
427Q88.7Confident87.8Confident31 Ų3137.1 Ų37.115%0.14519%0.187CC..EExtended strand (participates in β ladder)trans-98.1142.3170.9-62.3-172.520.800110.7F394 P396 Y429 I439 G440F394-Q427 PolarHBondContact O-NE2 3.42Å; P396-Q427 VanDerWaalsContact CD-OE1 3.24Å; P396-Q427 HydrophobicContact CG-CB 4.41Å; Q427-Y429 HydrophobicContact CB-CE2 3.83Å; Q427-Y429 PolarHBondContact OE1-OH 2.97Å; Q427-I439 CarbonylContact O-C 3.57Å; Q427-I439 VanDerWaalsContact O-CA 3.26Å; Q427-I439 WeakPolarHBondContact O-CA 3.17Å; Q427-G440 PolarHBondContact N-O 2.79Å; Q427-G440 PolarHBondContact O-N 3.39Å
428L92.7Very high88Confident5 Ų537.1 Ų37.13%0.02619%0.187CC..EExtended strand (participates in β ladder)trans-104.8132.8179.8-171.261.3000111.2I417 Y418 V421 Y437 I439 D494 R495I417-L428 HydrophobicContact CG2-CD1 3.54Å; I417-L428 HydrophobicContact CG2-CD2 3.77Å; I417-L428 HydrophobicContact CG2-CG 4.25Å; Y418-L428 HydrophobicContact CD1-CD2 4.21Å; Y418-L428 HydrophobicContact CE1-CD2 3.9Å; V421-L428 HydrophobicContact CB-CB 4.31Å; V421-L428 HydrophobicContact CG1-CB 3.79Å; V421-L428 HydrophobicContact CG2-CB 3.61Å; V421-L428 HydrophobicContact CG2-CD2 4.45Å; V421-L428 HydrophobicContact CG2-CG 4.44Å; L428-Y437 HydrophobicContact CD1-CD1 3.6Å; L428-Y437 HydrophobicContact CD1-CE1 4.22Å; L428-Y437 HydrophobicContact CD1-CG 4.28Å; L428-Y437 HydrophobicContact CD2-CD1 4.34Å; L428-Y437 HydrophobicContact CD2-CE1 4.15Å; L428-Y437 HydrophobicContact CG-CD1 4.28Å; L428-I439 HydrophobicContact CD1-CG2 4.3Å; L428-D494 CarbonylContact O-C 3.4Å; L428-R495 HydrophobicContact CB-CB 4.32Å; L428-R495 PolarHBondContact O-N 3.43Å; L428-R495 VanDerWaalsContact O-N 3.16Å
429Y94.6Very high88.4Confident2 Ų232.4 Ų32.41%0.00817%0.169CC..EExtended strand (participates in β ladder)trans-130.4164.6170.1-55.9-84.3000109.5P396 F399 Q427 I438 W474 K493 D494 L500P396-Y429 VanDerWaalsContact CD-OH 3.32Å; P396-Y429 WeakPolarHBondContact CD-OH 3.44Å; P396-Y429 HydrophobicContact CG-CE2 3.85Å; P396-Y429 WeakPolarHBondContact CG-OH 3.43Å; F399-Y429 HydrophobicContact CD1-CD2 4.28Å; F399-Y429 HydrophobicContact CD1-CE2 4.32Å; F399-Y429 AromaticContact CE1-CD2 3.89Å; F399-Y429 HydrophobicContact CE1-CD2 3.89Å; F399-Y429 AromaticContact CE1-CE2 3.57Å; F399-Y429 HydrophobicContact CE1-CE2 3.57Å; F399-Y429 HydrophobicContact CZ-CE2 4.46Å; Q427-Y429 HydrophobicContact CB-CE2 3.83Å; Q427-Y429 PolarHBondContact OE1-OH 2.97Å; Y429-I438 CarbonylContact C-O 3.57Å; Y429-I438 WeakPolarHBondContact CA-O 3.45Å; Y429-I438 PolarHBondContact N-O 2.81Å; Y429-I438 PolarHBondContact O-N 2.72Å; Y429-W474 HydrophobicContact CE1-CH2 4.44Å; Y429-W474 HydrophobicContact CE1-CZ2 4.06Å; Y429-K493 CarbonylContact C-O 3.53Å; Y429-K493 WeakPolarHBondContact CA-O 3.39Å; Y429-D494 HydrophobicContact CD1-CB 4.04Å; Y429-D494 HydrophobicContact CE1-CB 4.07Å; Y429-L500 HydrophobicContact CD1-CD1 3.91Å; Y429-L500 HydrophobicContact CD1-CD2 3.72Å; Y429-L500 HydrophobicContact CD1-CG 4.4Å; Y429-L500 HydrophobicContact CE1-CD1 3.71Å; Y429-L500 HydrophobicContact CE1-CD2 3.87Å; Y429-L500 HydrophobicContact CE1-CG 4.45Å
430K95.2Very high88.8Confident32 Ų3230.9 Ų30.914%0.13916%0.162CC..EExtended strand (participates in β ladder)trans-135144.8170.8-59.6-179.4-160.8148.90109.9Y432 D435 E436 Y437 A492 K493 D497K430-Y432 PolarHBondContact O-N 3.31Å; K430-D435 HydrophobicContact CD-CB 4.3Å; K430-D435 WeakPolarHBondContact CD-OD1 3.46Å; K430-E436 CarbonylContact C-O 3.58Å; K430-E436 VanDerWaalsContact CA-O 3.25Å; K430-E436 WeakPolarHBondContact CA-O 3.49Å; K430-Y437 HydrophobicContact CD-CE1 4.28Å; K430-Y437 HydrophobicContact CG-CD1 3.94Å; K430-Y437 HydrophobicContact CG-CE1 4.18Å; K430-A492 CarbonylContact O-C 3.56Å; K430-A492 WeakPolarHBondContact O-CA 3.48Å; K430-A492 WeakPolarHBondContact O-CB 3.22Å; K430-K493 PolarHBondContact N-O 3.23Å; K430-K493 PolarHBondContact O-N 3.47Å; K430-D497 IonicContact NZ-OD1 2.67Å
431T93.7Very high89Confident19 Ų1931 Ų3112%0.11716%0.162CC..EExtended strand (participates in β ladder)trans-57.6137.4166.355.90000109.8L433 T434 D435 E436 I438T431-L433 VanDerWaalsContact C-N 3.34Å; T431-L433 PolarHBondContact O-N 2.81Å; T431-T434 WeakPolarHBondContact CB-OG1 3.44Å; T431-T434 PolarHBondContact OG1-OG1 2.8Å; T431-D435 WeakPolarHBondContact O-CA 3.31Å; T431-D435 PolarHBondContact O-N 3.44Å; T431-D435 VanDerWaalsContact O-N 3.1Å; T431-D435 PolarHBondContact OG1-N 2.93Å; T431-D435 VanDerWaalsContact OG1-N 3.16Å; T431-E436 HydrophobicContact CG2-CB 3.96Å; T431-E436 PolarHBondContact N-O 3.14Å; T431-E436 PolarHBondContact OG1-N 2.9Å; T431-I438 HydrophobicContact CG2-CD1 3.81Å; T431-I438 HydrophobicContact CG2-CG1 4.44Å
432Y92Very high88.9Confident53 Ų5332.8 Ų32.821%0.20817%0.173CC..THydrogen-bonded Turntrans-61.8-37.4-170.4-166.4-88.6000114.6K430 L480 E482 L491 K493 P499K430-Y432 PolarHBondContact O-N 3.31Å; Y432-L480 HydrophobicContact CE1-CD2 4.47Å; Y432-L480 HydrophobicContact CE2-CD2 3.59Å; Y432-L480 VanDerWaalsContact OH-CD2 3.29Å; Y432-L480 WeakPolarHBondContact OH-CD2 3.35Å; Y432-E482 HydrophobicContact CD1-CG 4.26Å; Y432-E482 HydrophobicContact CE1-CG 3.9Å; Y432-E482 WeakPolarHBondContact CE1-OE1 3.47Å; Y432-L491 WeakPolarHBondContact CB-O 3.34Å; Y432-L491 HydrophobicContact CD1-CD2 3.72Å; Y432-L491 HydrophobicContact CD1-CG 4.37Å; Y432-L491 HydrophobicContact CD2-CD1 4.2Å; Y432-L491 HydrophobicContact CD2-CD2 3.78Å; Y432-L491 HydrophobicContact CD2-CG 3.69Å; Y432-L491 HydrophobicContact CE1-CD2 4.22Å; Y432-L491 HydrophobicContact CE2-CD2 4.29Å; Y432-L491 HydrophobicContact CE2-CG 4.49Å; Y432-L491 HydrophobicContact CG-CD2 3.49Å; Y432-L491 VanDerWaalsContact CG-CD2 3.49Å; Y432-L491 HydrophobicContact CG-CG 3.64Å; Y432-L491 PolarHBondContact N-O 2.95Å; Y432-L491 VanDerWaalsContact N-O 3.15Å; Y432-K493 HydrophobicContact CD2-CD 3.96Å; Y432-K493 HydrophobicContact CD2-CG 3.44Å; Y432-K493 VanDerWaalsContact CD2-CG 3.44Å; Y432-K493 HydrophobicContact CE2-CD 4.16Å; Y432-K493 HydrophobicContact CE2-CG 3.87Å; Y432-K493 HydrophobicContact CG-CG 4.28Å; Y432-K493 WeakPolarHBondContact O-CE 3.49Å; Y432-K493 PolarHBondContact O-NZ 2.89Å; Y432-P499 HydrophobicContact CE2-CB 4.11Å
433L87.9Confident89Confident133 Ų13331 Ų3170%0.69617%0.166SC*.THydrogen-bonded Turntrans-94.5-37.4-174.8-64.7175.4000114.1T431T431-L433 VanDerWaalsContact C-N 3.34Å; T431-L433 PolarHBondContact O-N 2.81Å
434T91.2Very high89.4Confident93 Ų9334.8 Ų34.857%0.57118%0.184SC*.THydrogen-bonded Turntrans-106.2-3.5-17043.60000114.1T431 E436T431-T434 WeakPolarHBondContact CB-OG1 3.44Å; T431-T434 PolarHBondContact OG1-OG1 2.8Å; T434-E436 PolarHBondContact O-N 3.32Å
435D91.2Very high89.7Confident82 Ų8234.7 Ų34.744%0.43918%0.181SC..  trans51.526.2-177.2-76.1-51.1000115K430 T431K430-D435 HydrophobicContact CD-CB 4.3Å; K430-D435 WeakPolarHBondContact CD-OD1 3.46Å; T431-D435 WeakPolarHBondContact O-CA 3.31Å; T431-D435 PolarHBondContact O-N 3.44Å; T431-D435 VanDerWaalsContact O-N 3.1Å; T431-D435 PolarHBondContact OG1-N 2.93Å; T431-D435 VanDerWaalsContact OG1-N 3.16Å
436E93.2Very high90.2Very high76 Ų7634 Ų3436%0.35518%0.175SC..  trans-71.5132.9174.9-59-176.7126.200110.2K401 K430 T431 T434 I438K401-E436 VanDerWaalsContact CE-CD 3.43Å; K401-E436 WeakPolarHBondContact CE-OE1 3.38Å; K401-E436 VanDerWaalsContact CE-OE2 3.25Å; K401-E436 WeakPolarHBondContact CE-OE2 3.4Å; K401-E436 IonicContact NZ-OE1 2.62Å; K401-E436 PolarHBondContact NZ-OE1 2.8Å; K401-E436 IonicContact NZ-OE2 3.35Å; K401-E436 PolarHBondContact NZ-OE2 3.42Å; K430-E436 CarbonylContact C-O 3.58Å; K430-E436 VanDerWaalsContact CA-O 3.25Å; K430-E436 WeakPolarHBondContact CA-O 3.49Å; T431-E436 HydrophobicContact CG2-CB 3.96Å; T431-E436 PolarHBondContact N-O 3.14Å; T431-E436 PolarHBondContact OG1-N 2.9Å; T434-E436 PolarHBondContact O-N 3.32Å; E436-I438 PolarHBondContact O-N 3.19Å
437Y95.3Very high90.4Very high27 Ų2734 Ų3411%0.10618%0.175CC..EExtended strand (participates in β ladder)trans-70.7129.9-177.5-67.3-58.1000112.8V402 F413 H414 I417 Y418 L428 K430V402-Y437 PolarHBondContact N-O 3.14Å; F413-Y437 AromaticContact CE1-CD2 3.62Å; F413-Y437 HydrophobicContact CE1-CD2 3.62Å; F413-Y437 AromaticContact CE1-CE2 3.84Å; F413-Y437 HydrophobicContact CE1-CE2 3.84Å; F413-Y437 AromaticContact CZ-CD2 3.93Å; F413-Y437 HydrophobicContact CZ-CD2 3.93Å; H414-Y437 AromaticContact CD2-CE2 3.47Å; H414-Y437 VanDerWaalsContact CD2-CE2 3.47Å; H414-Y437 WeakPolarHBondContact CD2-CE2 3.47Å; H414-Y437 AromaticContact CD2-CZ 3.99Å; H414-Y437 AromaticContact NE2-CE2 3.65Å; I417-Y437 HydrophobicContact CD1-CD2 3.88Å; I417-Y437 HydrophobicContact CD1-CE2 4.34Å; I417-Y437 HydrophobicContact CD1-CG 4.07Å; Y418-Y437 PolarHBondContact OH-OH 2.77Å; L428-Y437 HydrophobicContact CD1-CD1 3.6Å; L428-Y437 HydrophobicContact CD1-CE1 4.22Å; L428-Y437 HydrophobicContact CD1-CG 4.28Å; L428-Y437 HydrophobicContact CD2-CD1 4.34Å; L428-Y437 HydrophobicContact CD2-CE1 4.15Å; L428-Y437 HydrophobicContact CG-CD1 4.28Å; K430-Y437 HydrophobicContact CD-CE1 4.28Å; K430-Y437 HydrophobicContact CG-CD1 3.94Å; K430-Y437 HydrophobicContact CG-CE1 4.18Å
438I95.7Very high90.4Very high1 Ų135.8 Ų35.81%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-119.3133170.5-61.8165.9000106.4F399 M400 Y429 T431 E436 M467 L502F399-I438 HydrophobicContact CB-CG2 4.31Å; F399-I438 HydrophobicContact CD1-CG2 3.89Å; M400-I438 CarbonylContact O-C 3.58Å; M400-I438 WeakPolarHBondContact O-CA 3.26Å; Y429-I438 CarbonylContact C-O 3.57Å; Y429-I438 WeakPolarHBondContact CA-O 3.45Å; Y429-I438 PolarHBondContact N-O 2.81Å; Y429-I438 PolarHBondContact O-N 2.72Å; T431-I438 HydrophobicContact CG2-CD1 3.81Å; T431-I438 HydrophobicContact CG2-CG1 4.44Å; E436-I438 PolarHBondContact O-N 3.19Å; I438-M467 HydrophobicContact CB-SD 4.39Å; I438-M467 HydrophobicContact CD1-CE 3.95Å; I438-M467 HydrophobicContact CD1-SD 4.05Å; I438-M467 HydrophobicContact CG1-CE 4.4Å; I438-M467 HydrophobicContact CG1-SD 3.82Å; I438-M467 HydrophobicContact CG2-SD 3.76Å; I438-L502 HydrophobicContact CD1-CD1 4.25Å; I438-L502 HydrophobicContact CG2-CD1 4.31Å
439I94.9Very high90Very high0 Ų036.3 Ų36.30%019%0.186CC..EExtended strand (participates in β ladder)trans-111.5136.1175.155.5171.2000109.7F399 M400 V402 I426 Q427 L428 F447 F450 M464F399-I439 WeakPolarHBondContact CA-O 3.4Å; M400-I439 HydrophobicContact CB-CD1 4.47Å; M400-I439 HydrophobicContact CB-CG1 4.03Å; M400-I439 PolarHBondContact N-O 2.73Å; M400-I439 WeakPolarHBondContact O-CG1 3.39Å; M400-I439 PolarHBondContact O-N 3.11Å; V402-I439 HydrophobicContact CB-CD1 4.33Å; V402-I439 HydrophobicContact CB-CG1 4.4Å; V402-I439 HydrophobicContact CG1-CG1 4.38Å; V402-I439 HydrophobicContact CG1-CG2 3.78Å; I426-I439 HydrophobicContact CD1-CB 4.06Å; I426-I439 HydrophobicContact CD1-CG2 3.49Å; I426-I439 VanDerWaalsContact CD1-CG2 3.49Å; Q427-I439 CarbonylContact O-C 3.57Å; Q427-I439 VanDerWaalsContact O-CA 3.26Å; Q427-I439 WeakPolarHBondContact O-CA 3.17Å; L428-I439 HydrophobicContact CD1-CG2 4.3Å; I439-F447 HydrophobicContact CB-CE1 4.4Å; I439-F447 HydrophobicContact CD1-CD1 3.62Å; I439-F447 HydrophobicContact CD1-CE1 3.77Å; I439-F447 HydrophobicContact CG1-CD1 4.13Å; I439-F447 HydrophobicContact CG1-CE1 3.74Å; I439-F450 HydrophobicContact CD1-CD1 3.6Å; I439-F450 HydrophobicContact CD1-CE1 3.62Å; I439-F450 HydrophobicContact CD1-CG 4.29Å; I439-F450 HydrophobicContact CD1-CZ 4.29Å; I439-M464 HydrophobicContact CD1-SD 4.32Å
440G92.4Very high89.7Confident0 Ų036.3 Ų36.30%019%0.186CC..EExtended strand (participates in β ladder)trans-109.4141.2176.400000111.2L398 Q427L398-G440 WeakPolarHBondContact O-CA 3.36Å; Q427-G440 PolarHBondContact N-O 2.79Å; Q427-G440 PolarHBondContact O-N 3.39Å
441A89Confident89.6Confident2 Ų239.3 Ų39.32%0.01720%0.2CC..EExtended strand (participates in β ladder)trans-138.8154.9174.900000111P396 E397 L398 G443 Q446 F447P396-A441 WeakPolarHBondContact CB-O 3.17Å; E397-A441 PolarHBondContact N-O 3.24Å; L398-A441 PolarHBondContact N-O 2.93Å; L398-A441 VanDerWaalsContact N-O 3.09Å; L398-A441 PolarHBondContact O-N 3Å; A441-G443 WeakPolarHBondContact CB-O 3.11Å; A441-Q446 HydrophobicContact CB-CB 3.87Å; A441-Q446 HydrophobicContact CB-CG 4.49Å; A441-F447 HydrophobicContact CB-CD1 4.18Å; A441-F447 HydrophobicContact CB-CD2 4.32Å; A441-F447 HydrophobicContact CB-CE1 3.64Å; A441-F447 HydrophobicContact CB-CE2 3.82Å; A441-F447 HydrophobicContact CB-CZ 3.46Å; A441-F447 VanDerWaalsContact CB-CZ 3.46Å
442V82.2Confident89.3Confident44 Ų4440.6 Ų40.627%0.26721%0.205SC..SBendtrans-75.5-37.2169.1179.90000109.9F394F394-V442 HydrophobicContact CB-CG2 3.89Å
443G82.3Confident89Confident5 Ų539.3 Ų39.35%0.05220%0.2CC..SBendtrans-139.3160.9-178.100000114.6D94 A441 L445 Q446D94-G443 VanDerWaalsContact CG-CA 3.45Å; D94-G443 VanDerWaalsContact OD2-C 3.27Å; D94-G443 WeakPolarHBondContact OD2-CA 3.32Å; A441-G443 WeakPolarHBondContact CB-O 3.11Å; G443-L445 VanDerWaalsContact C-N 3.33Å; G443-L445 PolarHBondContact O-N 3.04Å; G443-Q446 VanDerWaalsContact N-OE1 3.16Å; G443-Q446 PolarHBondContact O-N 3.16Å
444Q85.5Confident89.1Confident92 Ų9233 Ų3343%0.4317%0.167SC..Hα-helixtrans-65.8-34.4-172.7179.861.430.300112.6D94 L398 Q446 F447 E448D94-Q444 PolarHBondContact OD2-N 3.19Å; L398-Q444 HydrophobicContact CD1-CB 4.35Å; Q444-Q446 PolarHBondContact O-N 3.45Å; Q444-F447 WeakPolarHBondContact O-CB 3.21Å; Q444-F447 PolarHBondContact O-N 3.18Å; Q444-E448 PolarHBondContact O-N 3.16Å
445L83.9Confident89Confident8 Ų832.3 Ų32.34%0.04216%0.159CC..Hα-helixtrans-63.5-28.4-179.5-176.860.8000112.2I68 D94 F95 G443 F447 E448 V449I68-L445 HydrophobicContact CD1-CD2 3.33Å; D94-L445 HydrophobicContact CB-CB 3.94Å; D94-L445 WeakPolarHBondContact OD2-CB 3.34Å; D94-L445 PolarHBondContact OD2-N 3.36Å; F95-L445 HydrophobicContact CD2-CD2 4.34Å; F95-L445 HydrophobicContact CE2-CB 4.48Å; F95-L445 HydrophobicContact CE2-CD2 3.54Å; F95-L445 HydrophobicContact CE2-CG 3.82Å; F95-L445 HydrophobicContact CZ-CD2 4.39Å; F95-L445 HydrophobicContact CZ-CG 4.2Å; G443-L445 VanDerWaalsContact C-N 3.33Å; G443-L445 PolarHBondContact O-N 3.04Å; L445-F447 PolarHBondContact O-N 3.33Å; L445-E448 HydrophobicContact CD1-CB 4.33Å; L445-E448 PolarHBondContact O-N 3.01Å; L445-V449 WeakPolarHBondContact O-CG2 3.35Å; L445-V449 PolarHBondContact O-N 2.67Å
446Q86.2Confident88.6Confident7 Ų731.9 Ų31.93%0.03316%0.157CC..Hα-helixtrans-61.9-35.2174.3-64.4-177.3-81.200111.5D94 F95 A425 A441 G443 Q444 F450D94-Q446 HydrophobicContact CB-CG 4.46Å; D94-Q446 VanDerWaalsContact O-CG 3.25Å; D94-Q446 WeakPolarHBondContact O-CG 3.49Å; D94-Q446 PolarHBondContact O-OE1 2.92Å; F95-Q446 HydrophobicContact CD1-CG 4.42Å; F95-Q446 HydrophobicContact CE1-CG 3.99Å; F95-Q446 HydrophobicContact CZ-CG 4.32Å; A425-Q446 PolarHBondContact O-NE2 2.82Å; A441-Q446 HydrophobicContact CB-CB 3.87Å; A441-Q446 HydrophobicContact CB-CG 4.49Å; G443-Q446 VanDerWaalsContact N-OE1 3.16Å; G443-Q446 PolarHBondContact O-N 3.16Å; Q444-Q446 PolarHBondContact O-N 3.45Å; Q446-F450 WeakPolarHBondContact O-CB 3.49Å; Q446-F450 PolarHBondContact O-N 2.62Å
447F90.6Very high88.1Confident3 Ų329.7 Ų29.71%0.01315%0.147CC..Hα-helixtrans-69.6-39.3174.5-62.3-51.8000112.5L398 M400 I439 A441 Q444 L445 F450 Q451 M464L398-F447 HydrophobicContact CB-CE2 3.64Å; L398-F447 HydrophobicContact CB-CZ 4.06Å; L398-F447 HydrophobicContact CD1-CE2 4.4Å; L398-F447 WeakPolarHBondContact O-CZ 3.49Å; M400-F447 HydrophobicContact CB-CE1 4.32Å; M400-F447 HydrophobicContact CB-CZ 4.41Å; M400-F447 HydrophobicContact CE-CB 4.22Å; M400-F447 HydrophobicContact CE-CD2 3.35Å; M400-F447 HydrophobicContact CE-CE2 3.75Å; M400-F447 HydrophobicContact CE-CG 3.87Å; M400-F447 HydrophobicContact CG-CD1 4.33Å; M400-F447 HydrophobicContact CG-CD2 4.17Å; M400-F447 HydrophobicContact CG-CE1 4.09Å; M400-F447 HydrophobicContact CG-CE2 3.88Å; M400-F447 HydrophobicContact CG-CG 4.37Å; M400-F447 HydrophobicContact CG-CZ 3.83Å; M400-F447 HydrophobicContact SD-CB 4.06Å; M400-F447 HydrophobicContact SD-CD1 4.02Å; M400-F447 HydrophobicContact SD-CD2 3.73Å; M400-F447 HydrophobicContact SD-CE1 4.38Å; M400-F447 HydrophobicContact SD-CE2 4.07Å; M400-F447 HydrophobicContact SD-CG 3.68Å; M400-F447 HydrophobicContact SD-CZ 4.38Å; I439-F447 HydrophobicContact CB-CE1 4.4Å; I439-F447 HydrophobicContact CD1-CD1 3.62Å; I439-F447 HydrophobicContact CD1-CE1 3.77Å; I439-F447 HydrophobicContact CG1-CD1 4.13Å; I439-F447 HydrophobicContact CG1-CE1 3.74Å; A441-F447 HydrophobicContact CB-CD1 4.18Å; A441-F447 HydrophobicContact CB-CD2 4.32Å; A441-F447 HydrophobicContact CB-CE1 3.64Å; A441-F447 HydrophobicContact CB-CE2 3.82Å; A441-F447 HydrophobicContact CB-CZ 3.46Å; A441-F447 VanDerWaalsContact CB-CZ 3.46Å; Q444-F447 WeakPolarHBondContact O-CB 3.21Å; Q444-F447 PolarHBondContact O-N 3.18Å; L445-F447 PolarHBondContact O-N 3.33Å; F447-F450 PolarHBondContact O-N 3.37Å; F447-Q451 WeakPolarHBondContact O-CB 3.43Å; F447-Q451 PolarHBondContact O-N 3.06Å; F447-M464 HydrophobicContact CB-SD 4.29Å
448E88.5Confident87.7Confident68 Ų6828.4 Ų28.432%0.31814%0.142SC..Hα-helixtrans-61.1-46.4174.6-64-177.6-168.500110.7R66 Q444 L445 Q451 H452R66-E448 IonicContact CZ-OE2 2.67Å; R66-E448 IonicContact NE-OE2 3.65Å; R66-E448 IonicContact NH2-OE1 3.72Å; R66-E448 PolarHBondContact NH2-OE1 3.3Å; R66-E448 IonicContact NH2-OE2 3.67Å; R66-E448 PolarHBondContact NH2-OE2 2.99Å; Q444-E448 PolarHBondContact O-N 3.16Å; L445-E448 HydrophobicContact CD1-CB 4.33Å; L445-E448 PolarHBondContact O-N 3.01Å; E448-Q451 PolarHBondContact O-N 3.03Å; E448-H452 WeakPolarHBondContact O-CB 3.23Å; E448-H452 PolarHBondContact O-N 3.12Å
449V84.3Confident87.4Confident15 Ų1533 Ų339%0.09117%0.167CC..Hα-helixtrans-62.8-46.1175.5171.80000110.7V70 F95 L445 Q451 H452 R453V70-V449 HydrophobicContact CG1-CG2 4.36Å; F95-V449 HydrophobicContact CZ-CB 4.41Å; F95-V449 HydrophobicContact CZ-CG2 3.84Å; L445-V449 WeakPolarHBondContact O-CG2 3.35Å; L445-V449 PolarHBondContact O-N 2.67Å; V449-Q451 PolarHBondContact O-N 2.81Å; V449-H452 PolarHBondContact O-N 2.63Å; V449-R453 HydrophobicContact CG1-CG 4.15Å; V449-R453 WeakPolarHBondContact O-CB 3.36Å; V449-R453 VanDerWaalsContact O-CG 3.26Å; V449-R453 WeakPolarHBondContact O-CG 3.19Å; V449-R453 PolarHBondContact O-N 3.21Å
450F89.6Confident87.2Confident2 Ų233 Ų331%0.00917%0.167CC..Hα-helixtrans-57.8-46.8176.1170.3-96.1000111.5V402 I417 L420 I426 I439 Q446 F447 H452 R453 M454 V462 M464V402-F450 HydrophobicContact CG2-CE1 3.9Å; V402-F450 HydrophobicContact CG2-CZ 4.28Å; I417-F450 HydrophobicContact CG1-CE2 4.16Å; I417-F450 HydrophobicContact CG1-CZ 3.91Å; L420-F450 HydrophobicContact CB-CD2 4.23Å; L420-F450 HydrophobicContact CB-CE2 4.44Å; L420-F450 HydrophobicContact CD1-CD2 3.42Å; L420-F450 VanDerWaalsContact CD1-CD2 3.42Å; L420-F450 HydrophobicContact CD1-CE2 3.65Å; L420-F450 HydrophobicContact CD1-CG 4.42Å; L420-F450 HydrophobicContact CG-CD2 4.44Å; I426-F450 HydrophobicContact CD1-CD2 3.46Å; I426-F450 VanDerWaalsContact CD1-CD2 3.46Å; I426-F450 HydrophobicContact CD1-CE2 3.4Å; I426-F450 VanDerWaalsContact CD1-CE2 3.4Å; I426-F450 HydrophobicContact CD1-CG 4.3Å; I426-F450 HydrophobicContact CD1-CZ 4.21Å; I426-F450 HydrophobicContact CG1-CD2 3.77Å; I426-F450 HydrophobicContact CG1-CE2 4.19Å; I426-F450 HydrophobicContact CG2-CB 3.87Å; I426-F450 HydrophobicContact CG2-CD2 4.16Å; I426-F450 HydrophobicContact CG2-CG 4.13Å; I439-F450 HydrophobicContact CD1-CD1 3.6Å; I439-F450 HydrophobicContact CD1-CE1 3.62Å; I439-F450 HydrophobicContact CD1-CG 4.29Å; I439-F450 HydrophobicContact CD1-CZ 4.29Å; Q446-F450 WeakPolarHBondContact O-CB 3.49Å; Q446-F450 PolarHBondContact O-N 2.62Å; F447-F450 PolarHBondContact O-N 3.37Å; F450-H452 VanDerWaalsContact C-N 3.33Å; F450-H452 PolarHBondContact O-N 2.69Å; F450-R453 PolarHBondContact O-N 2.82Å; F450-M454 HydrophobicContact CD1-CG 4.33Å; F450-M454 HydrophobicContact CD2-CG 4.11Å; F450-M454 HydrophobicContact CE1-CG 3.9Å; F450-M454 HydrophobicContact CE2-CG 3.67Å; F450-M454 HydrophobicContact CE2-SD 3.9Å; F450-M454 HydrophobicContact CG-CG 4.41Å; F450-M454 HydrophobicContact CZ-CG 3.55Å; F450-M454 HydrophobicContact CZ-SD 4Å; F450-M454 WeakPolarHBondContact O-CB 3.38Å; F450-M454 WeakPolarHBondContact O-CG 3.38Å; F450-M454 PolarHBondContact O-N 3.2Å; F450-V462 HydrophobicContact CE1-CG2 4.36Å; F450-M464 HydrophobicContact CD1-CE 3.44Å; F450-M464 VanDerWaalsContact CD1-CE 3.44Å; F450-M464 HydrophobicContact CD1-SD 4.32Å; F450-M464 HydrophobicContact CE1-CE 3.79Å
451Q91.7Very high87.3Confident95 Ų9537.3 Ų37.344%0.44419%0.187SC..Hα-helixtrans-57-48.6177.2-165.417011.900111.5F447 E448 V449 M454 L455 V462 M464F447-Q451 WeakPolarHBondContact O-CB 3.43Å; F447-Q451 PolarHBondContact O-N 3.06Å; E448-Q451 PolarHBondContact O-N 3.03Å; V449-Q451 PolarHBondContact O-N 2.81Å; Q451-M454 PolarHBondContact O-N 2.9Å; Q451-L455 PolarHBondContact O-N 3.39Å; Q451-V462 HydrophobicContact CG-CG2 4Å; Q451-M464 HydrophobicContact CB-CE 3.31Å; Q451-M464 HydrophobicContact CG-CE 3.67Å
452H86.9Confident87.6Confident46 Ų4637.5 Ų37.521%0.21319%0.188CC..Hα-helixtrans-64.6-45-177.2-174.8-94.4000111.6I62 E448 V449 F450 L455 N456I62-H452 HydrophobicContact CD1-CB 3.77Å; E448-H452 WeakPolarHBondContact O-CB 3.23Å; E448-H452 PolarHBondContact O-N 3.12Å; V449-H452 PolarHBondContact O-N 2.63Å; F450-H452 VanDerWaalsContact C-N 3.33Å; F450-H452 PolarHBondContact O-N 2.69Å; H452-L455 PolarHBondContact O-N 3.19Å; H452-N456 PolarHBondContact CD2-ND2 2.98Å; H452-N456 VanDerWaalsContact CD2-ND2 3.29Å; H452-N456 PolarHBondContact CE1-ND2 3.38Å; H452-N456 PolarHBondContact ND1-ND2 2.89Å; H452-N456 PolarHBondContact NE2-ND2 2.69Å; H452-N456 WeakPolarHBondContact O-CB 3.22Å; H452-N456 PolarHBondContact O-N 3.13Å; H452-N456 PolarHBondContact O-ND2 2.79Å
453R85.5Confident88.2Confident26 Ų2638.4 Ų38.410%0.09819%0.193CC..Hα-helixtrans-65.5-42.2177.9-66.7-170.868.3-164.8-11.9111.6L420 E423 V449 F450 L455 N456 E457 Y458L420-R453 HydrophobicContact CD1-CB 4.12Å; L420-R453 HydrophobicContact CD2-CB 3.99Å; L420-R453 VanDerWaalsContact CD2-NH1 3.29Å; E423-R453 VanDerWaalsContact CD-NH2 3.31Å; E423-R453 IonicContact OE1-CZ 3.81Å; E423-R453 IonicContact OE1-NH1 3.21Å; E423-R453 IonicContact OE1-NH2 2.76Å; E423-R453 PolarHBondContact OE1-NH2 3.27Å; E423-R453 IonicContact OE2-CZ 3.75Å; E423-R453 VanDerWaalsContact OE2-CZ 3.26Å; E423-R453 IonicContact OE2-NH1 2.87Å; E423-R453 PolarHBondContact OE2-NH1 3.12Å; E423-R453 IonicContact OE2-NH2 3.96Å; E423-R453 PolarHBondContact OE2-NH2 2.92Å; V449-R453 HydrophobicContact CG1-CG 4.15Å; V449-R453 WeakPolarHBondContact O-CB 3.36Å; V449-R453 VanDerWaalsContact O-CG 3.26Å; V449-R453 WeakPolarHBondContact O-CG 3.19Å; V449-R453 PolarHBondContact O-N 3.21Å; F450-R453 PolarHBondContact O-N 2.82Å; R453-L455 VanDerWaalsContact C-N 3.29Å; R453-L455 PolarHBondContact O-N 3.18Å; R453-N456 PolarHBondContact O-N 3.28Å; R453-E457 VanDerWaalsContact CG-OE1 3.24Å; R453-E457 WeakPolarHBondContact CG-OE1 3.04Å; R453-E457 IonicContact CZ-OE1 3.85Å; R453-E457 IonicContact CZ-OE2 3.78Å; R453-E457 VanDerWaalsContact NE-CD 3.3Å; R453-E457 IonicContact NE-OE1 2.76Å; R453-E457 PolarHBondContact NE-OE1 3.33Å; R453-E457 IonicContact NE-OE2 2.76Å; R453-E457 PolarHBondContact NE-OE2 2.91Å; R453-E457 VanDerWaalsContact NE-OE2 3.07Å; R453-E457 IonicContact NH2-OE1 3.65Å; R453-E457 IonicContact NH2-OE2 2.77Å; R453-E457 PolarHBondContact NH2-OE2 2.89Å; R453-E457 VanDerWaalsContact O-CB 3.27Å; R453-E457 WeakPolarHBondContact O-CB 3.25Å; R453-E457 PolarHBondContact O-N 2.91Å; R453-Y458 WeakPolarHBondContact O-CD2 3.41Å
454M90.3Very high88.8Confident0 Ų040 Ų400%020%0.199CC..Hα-helixtrans-56.8-43.6173.9-73.3-61.6-61.800112.1F413 G416 I417 L420 F450 Q451 Y458 N459 A460 V462F413-M454 HydrophobicContact CB-CE 4.34Å; F413-M454 HydrophobicContact CD2-CE 3.59Å; F413-M454 HydrophobicContact CE2-CE 4.35Å; F413-M454 HydrophobicContact CG-CE 4.33Å; F413-M454 WeakPolarHBondContact O-CE 3.43Å; G416-M454 VanDerWaalsContact C-SD 3.55Å; I417-M454 HydrophobicContact CG1-CE 4.39Å; I417-M454 HydrophobicContact CG1-SD 4.5Å; L420-M454 HydrophobicContact CD1-CG 3.85Å; L420-M454 HydrophobicContact CD1-SD 3.66Å; F450-M454 HydrophobicContact CD1-CG 4.33Å; F450-M454 HydrophobicContact CD2-CG 4.11Å; F450-M454 HydrophobicContact CE1-CG 3.9Å; F450-M454 HydrophobicContact CE2-CG 3.67Å; F450-M454 HydrophobicContact CE2-SD 3.9Å; F450-M454 HydrophobicContact CG-CG 4.41Å; F450-M454 HydrophobicContact CZ-CG 3.55Å; F450-M454 HydrophobicContact CZ-SD 4Å; F450-M454 WeakPolarHBondContact O-CB 3.38Å; F450-M454 WeakPolarHBondContact O-CG 3.38Å; F450-M454 PolarHBondContact O-N 3.2Å; Q451-M454 PolarHBondContact O-N 2.9Å; M454-Y458 CarbonylContact O-C 3.46Å; M454-Y458 WeakPolarHBondContact O-CB 3.46Å; M454-Y458 PolarHBondContact O-N 2.83Å; M454-Y458 HydrophobicContact SD-CD2 4.23Å; M454-N459 PolarHBondContact O-N 2.83Å; M454-A460 CarbonylContact C-O 3.56Å; M454-A460 WeakPolarHBondContact CB-O 3.29Å; M454-A460 HydrophobicContact CE-CB 3.89Å; M454-A460 PolarHBondContact O-N 3.5Å; M454-A460 VanDerWaalsContact O-O 3.14Å; M454-V462 HydrophobicContact CB-CG1 4.07Å; M454-V462 HydrophobicContact CB-CG2 4.37Å; M454-V462 HydrophobicContact CE-CG1 3.9Å; M454-V462 HydrophobicContact CG-CG1 4.19Å
455L90.2Very high89.3Confident79 Ų7939.2 Ų39.241%0.41420%0.201SC..Hα-helixtrans-67-52.9177.8-176.861.2000111.8Q451 H452 R453 N459 A460 E461Q451-L455 PolarHBondContact O-N 3.39Å; H452-L455 PolarHBondContact O-N 3.19Å; R453-L455 VanDerWaalsContact C-N 3.29Å; R453-L455 PolarHBondContact O-N 3.18Å; L455-N459 WeakPolarHBondContact O-CA 3.32Å; L455-N459 PolarHBondContact O-N 2.89Å; L455-A460 PolarHBondContact N-O 2.99Å; L455-E461 HydrophobicContact CD1-CB 4.24Å
456N83.5Confident89.8Confident74 Ų7443.5 Ų43.540%0.39623%0.229SC..Hα-helixtrans-88.2-33.3-166-66.6-33.4000114.2H452 R453H452-N456 PolarHBondContact CD2-ND2 2.98Å; H452-N456 VanDerWaalsContact CD2-ND2 3.29Å; H452-N456 PolarHBondContact CE1-ND2 3.38Å; H452-N456 PolarHBondContact ND1-ND2 2.89Å; H452-N456 PolarHBondContact NE2-ND2 2.69Å; H452-N456 WeakPolarHBondContact O-CB 3.22Å; H452-N456 PolarHBondContact O-N 3.13Å; H452-N456 PolarHBondContact O-ND2 2.79Å; R453-N456 PolarHBondContact O-N 3.28Å
457E82.6Confident90.1Very high30 Ų3045.2 Ų45.214%0.1424%0.238CC..Hα-helixtrans-91.4-32.1-178.6-62.8168.7-154.900111.7N306 R453N306-E457 HydrophobicContact CB-CG 4.24Å; N306-E457 WeakPolarHBondContact ND2-CB 3.28Å; N306-E457 PolarHBondContact ND2-OE2 2.65Å; R453-E457 VanDerWaalsContact CG-OE1 3.24Å; R453-E457 WeakPolarHBondContact CG-OE1 3.04Å; R453-E457 IonicContact CZ-OE1 3.85Å; R453-E457 IonicContact CZ-OE2 3.78Å; R453-E457 VanDerWaalsContact NE-CD 3.3Å; R453-E457 IonicContact NE-OE1 2.76Å; R453-E457 PolarHBondContact NE-OE1 3.33Å; R453-E457 IonicContact NE-OE2 2.76Å; R453-E457 PolarHBondContact NE-OE2 2.91Å; R453-E457 VanDerWaalsContact NE-OE2 3.07Å; R453-E457 IonicContact NH2-OE1 3.65Å; R453-E457 IonicContact NH2-OE2 2.77Å; R453-E457 PolarHBondContact NH2-OE2 2.89Å; R453-E457 VanDerWaalsContact O-CB 3.27Å; R453-E457 WeakPolarHBondContact O-CB 3.25Å; R453-E457 PolarHBondContact O-N 2.91Å
458Y86.7Confident89.8Confident0 Ų046.9 Ų46.90%026%0.256CS..Hα-helixtrans-110.2-7.8-174.2-58.2-80.4000113.7N306 S412 K415 G416 Q419 L420 R453 M454 A460N306-Y458 PolarHBondContact ND2-OH 2.83Å; S412-Y458 WeakPolarHBondContact CB-O 3.29Å; S412-Y458 PolarHBondContact OG-O 3.49Å; S412-Y458 VanDerWaalsContact OG-O 3.08Å; K415-Y458 HydrophobicContact CG-CD1 4.48Å; K415-Y458 HydrophobicContact CG-CE1 4.31Å; G416-Y458 VanDerWaalsContact CA-CD1 3.42Å; G416-Y458 VanDerWaalsContact CA-CG 3.5Å; Q419-Y458 HydrophobicContact CB-CE1 4.49Å; Q419-Y458 VanDerWaalsContact CB-OH 3.27Å; Q419-Y458 WeakPolarHBondContact CB-OH 3.2Å; Q419-Y458 VanDerWaalsContact OE1-CZ 3.31Å; Q419-Y458 PolarHBondContact OE1-OH 2.57Å; L420-Y458 HydrophobicContact CD1-CE2 4.33Å; L420-Y458 HydrophobicContact CD2-CE2 4.41Å; L420-Y458 HydrophobicContact CG-CE2 4.2Å; R453-Y458 WeakPolarHBondContact O-CD2 3.41Å; M454-Y458 CarbonylContact O-C 3.46Å; M454-Y458 WeakPolarHBondContact O-CB 3.46Å; M454-Y458 PolarHBondContact O-N 2.83Å; M454-Y458 HydrophobicContact SD-CD2 4.23Å; Y458-A460 PolarHBondContact O-N 2.93Å
459N88.4Confident89.9Confident98 Ų9848.5 Ų48.552%0.52427%0.267SS..  trans53.139.5-173.5-67.7-47.4000111.6K409 M454 L455K409-N459 WeakPolarHBondContact CD-O 3.33Å; K409-N459 WeakPolarHBondContact CE-O 2.95Å; M454-N459 PolarHBondContact O-N 2.83Å; L455-N459 WeakPolarHBondContact O-CA 3.32Å; L455-N459 PolarHBondContact O-N 2.89Å
460A91.6Very high90.2Very high0 Ų049.3 Ų49.30%027%0.269CS..  trans-126100.1-175.900000109.9F413 M454 L455 Y458F413-A460 HydrophobicContact CB-CB 4.27Å; M454-A460 CarbonylContact C-O 3.56Å; M454-A460 WeakPolarHBondContact CB-O 3.29Å; M454-A460 HydrophobicContact CE-CB 3.89Å; M454-A460 PolarHBondContact O-N 3.5Å; M454-A460 VanDerWaalsContact O-O 3.14Å; L455-A460 PolarHBondContact N-O 2.99Å; Y458-A460 PolarHBondContact O-N 2.93Å
461E93.8Very high90.3Very high90 Ų9050.7 Ų50.742%0.42128%0.277SS..  trans-72.4134.2171.4-163.4-179.4172.800110K405 L455K405-E461 HydrophobicContact CB-CB 4.22Å; K405-E461 HydrophobicContact CB-CG 4.36Å; K405-E461 WeakPolarHBondContact CB-O 3.4Å; K405-E461 HydrophobicContact CD-CB 4.32Å; K405-E461 HydrophobicContact CD-CG 3.84Å; K405-E461 WeakPolarHBondContact CD-OE1 3.47Å; K405-E461 WeakPolarHBondContact CD-OE2 3.42Å; K405-E461 PolarHBondContact N-O 3.14Å; K405-E461 IonicContact NZ-OE1 2.63Å; K405-E461 PolarHBondContact NZ-OE1 3.11Å; K405-E461 IonicContact NZ-OE2 2.96Å; K405-E461 PolarHBondContact NZ-OE2 2.61Å; L455-E461 HydrophobicContact CD1-CB 4.24Å
462V95.2Very high90.3Very high6 Ų646.2 Ų46.24%0.03626%0.256CS..EExtended strand (participates in β ladder)trans-118143.4-175.1-66.10000111.3V402 T403 F413 F450 Q451 M454 M464V402-V462 HydrophobicContact CG2-CB 3.91Å; V402-V462 HydrophobicContact CG2-CG1 4.14Å; T403-V462 CarbonylContact O-C 3.59Å; T403-V462 WeakPolarHBondContact O-CA 3.26Å; F413-V462 HydrophobicContact CD2-CG1 3.66Å; F413-V462 HydrophobicContact CE2-CG1 3.7Å; F450-V462 HydrophobicContact CE1-CG2 4.36Å; Q451-V462 HydrophobicContact CG-CG2 4Å; M454-V462 HydrophobicContact CB-CG1 4.07Å; M454-V462 HydrophobicContact CB-CG2 4.37Å; M454-V462 HydrophobicContact CE-CG1 3.9Å; M454-V462 HydrophobicContact CG-CG1 4.19Å; V462-M464 HydrophobicContact CG2-CE 3.44Å; V462-M464 VanDerWaalsContact CG2-CE 3.44Å; V462-M464 HydrophobicContact CG2-CG 4.4Å
463V95.8Very high90.6Very high63 Ų6346.3 Ų46.338%0.38225%0.254SS..EExtended strand (participates in β ladder)trans-102.1120.1168.8-178.70000107.4T403 K405T403-V463 PolarHBondContact N-O 2.9Å; T403-V463 PolarHBondContact O-N 3.4Å; K405-V463 HydrophobicContact CB-CG2 3.85Å; K405-V463 HydrophobicContact CG-CG2 3.87Å
464M95.2Very high90.9Very high37 Ų3746.4 Ų46.418%0.18225%0.254CS..EExtended strand (participates in β ladder)trans-107.1126.1177.2-59.5-174.2-153.400109.7M400 K401 V402 I439 F447 F450 Q451 V462M400-M464 HydrophobicContact CB-CB 4.46Å; M400-M464 HydrophobicContact SD-CB 3.84Å; M400-M464 HydrophobicContact SD-CG 4.43Å; M400-M464 HydrophobicContact SD-SD 3.85Å; K401-M464 CarbonylContact O-C 3.58Å; K401-M464 WeakPolarHBondContact O-CA 3.19Å; V402-M464 HydrophobicContact CG2-CG 4.31Å; I439-M464 HydrophobicContact CD1-SD 4.32Å; F447-M464 HydrophobicContact CB-SD 4.29Å; F450-M464 HydrophobicContact CD1-CE 3.44Å; F450-M464 VanDerWaalsContact CD1-CE 3.44Å; F450-M464 HydrophobicContact CD1-SD 4.32Å; F450-M464 HydrophobicContact CE1-CE 3.79Å; Q451-M464 HydrophobicContact CB-CE 3.31Å; Q451-M464 HydrophobicContact CG-CE 3.67Å; V462-M464 HydrophobicContact CG2-CE 3.44Å; V462-M464 VanDerWaalsContact CG2-CE 3.44Å; V462-M464 HydrophobicContact CG2-CG 4.4Å
465T95.8Very high91Very high77 Ų7746.6 Ų46.647%0.47226%0.256SS..EExtended strand (participates in β ladder)trans-111.2117.2175.9-53.70000108.7M400 K401 M467M400-T465 WeakPolarHBondContact CA-O 3.5Å; K401-T465 PolarHBondContact N-O 3.24Å; K401-T465 PolarHBondContact O-N 2.78Å; T465-M467 PolarHBondContact O-N 3.3Å
466P94.1Very high91.1Very high97 Ų9745.5 Ų45.563%0.6325%0.25SS*.EExtended strand (participates in β ladder)trans-59134.8179.4-24.333.8000112
467M92.4Very high91.4Very high43 Ų4345.3 Ų45.321%0.21225%0.253CS..EExtended strand (participates in β ladder)trans-100.7-2.3170.5-62.1-179.864.200112.2F399 K401 I438 T465 K470 I490F399-M467 HydrophobicContact CB-CB 4.12Å; F399-M467 HydrophobicContact CB-SD 4.5Å; F399-M467 WeakPolarHBondContact O-CB 3.38Å; F399-M467 PolarHBondContact O-N 3.44Å; K401-M467 HydrophobicContact CB-CG 4.41Å; K401-M467 HydrophobicContact CB-SD 4.2Å; I438-M467 HydrophobicContact CB-SD 4.39Å; I438-M467 HydrophobicContact CD1-CE 3.95Å; I438-M467 HydrophobicContact CD1-SD 4.05Å; I438-M467 HydrophobicContact CG1-CE 4.4Å; I438-M467 HydrophobicContact CG1-SD 3.82Å; I438-M467 HydrophobicContact CG2-SD 3.76Å; T465-M467 PolarHBondContact O-N 3.3Å; M467-K470 WeakPolarHBondContact O-CE 3.4Å; M467-K470 PolarHBondContact O-NZ 3.12Å; M467-I490 HydrophobicContact CE-CD1 3.61Å
468G84.9Confident91.8Very high39 Ų3952.6 Ų52.640%0.40229%0.287SS..EExtended strand (participates in β ladder)trans72.1-171.8-171.300000112.1
469N89.2Confident91.9Very high102 Ų10255.7 Ų55.755%0.54530%0.301SS..EExtended strand (participates in β ladder)trans-67.2142.4176.9-60.65.2000109.6E397 L398E397-N469 VanDerWaalsContact O-CA 3.26Å; E397-N469 WeakPolarHBondContact O-CA 3.12Å; L398-N469 WeakPolarHBondContact CD2-OD1 3.3Å
470K91.6Very high91.9Very high31 Ų3152.8 Ų52.814%0.13529%0.286CS..  trans-136.8154170.2-53.5-76.8166.5-104.20110.3E397 F399 M467 L502 F503E397-K470 PolarHBondContact O-N 3.5Å; F399-K470 HydrophobicContact CB-CG 4.3Å; F399-K470 HydrophobicContact CD2-CB 3.46Å; F399-K470 VanDerWaalsContact CD2-CB 3.46Å; F399-K470 HydrophobicContact CD2-CG 3.76Å; F399-K470 HydrophobicContact CE2-CB 3.58Å; F399-K470 HydrophobicContact CE2-CG 4.37Å; F399-K470 HydrophobicContact CG-CB 4.22Å; F399-K470 HydrophobicContact CG-CG 4.13Å; F399-K470 HydrophobicContact CZ-CB 4.39Å; M467-K470 WeakPolarHBondContact O-CE 3.4Å; M467-K470 PolarHBondContact O-NZ 3.12Å; K470-L502 HydrophobicContact CB-CB 4.05Å; K470-L502 HydrophobicContact CB-CD2 4.48Å; K470-L502 HydrophobicContact CD-CB 4.18Å; K470-L502 HydrophobicContact CG-CB 4.1Å; K470-F503 CarbonylContact C-O 3.54Å; K470-F503 WeakPolarHBondContact CA-O 3.44Å
471I91.4Very high91.8Very high32 Ų3256 Ų5616%0.16430%0.303CS..EExtended strand (participates in β ladder)trans-105110.8168.3-56.5170.3000106.2R473 F503 Q506 M509I471-R473 HydrophobicContact CG2-CG 4.44Å; I471-F503 HydrophobicContact CB-CB 4.25Å; I471-F503 PolarHBondContact N-O 3.27Å; I471-F503 WeakPolarHBondContact O-CD2 3.41Å; I471-F503 PolarHBondContact O-N 2.95Å; I471-Q506 HydrophobicContact CD1-CB 4.44Å; I471-Q506 HydrophobicContact CD1-CG 3.8Å; I471-M509 HydrophobicContact CG2-SD 4.03Å
472A92.2Very high91.4Very high0 Ų056.4 Ų56.40%031%0.305CS..EExtended strand (participates in β ladder)trans-81.7131.917600000110.9T395 F399 W474 L500 F501 L502T395-A472 HydrophobicContact CG2-CB 3.8Å; F399-A472 HydrophobicContact CZ-CB 4.01Å; A472-W474 HydrophobicContact CB-CH2 4.24Å; A472-W474 HydrophobicContact CB-CZ3 4.05Å; A472-L500 HydrophobicContact CB-CD1 3.82Å; A472-F501 WeakPolarHBondContact CA-O 3.18Å; A472-L502 HydrophobicContact CB-CD2 3.69Å
473R92.4Very high91.1Very high49 Ų4966.2 Ų66.219%0.18534%0.341CS..EExtended strand (participates in β ladder)trans-138.9126.7172.1-65.6-67.9178.9-97.88.1111.2I471 L500 F501 F503 M509 L521 K522I471-R473 HydrophobicContact CG2-CG 4.44Å; R473-L500 CarbonylContact O-C 3.53Å; R473-L500 WeakPolarHBondContact O-CA 3.15Å; R473-L500 WeakPolarHBondContact O-CB 3.3Å; R473-F501 PolarHBondContact N-O 3.32Å; R473-F501 PolarHBondContact O-N 2.82Å; R473-F503 HydrophobicContact CB-CD2 4.45Å; R473-F503 HydrophobicContact CB-CE2 3.99Å; R473-F503 HydrophobicContact CG-CD2 4.26Å; R473-F503 HydrophobicContact CG-CE2 4.12Å; R473-M509 HydrophobicContact CG-SD 4.08Å; R473-L521 HydrophobicContact CB-CB 3.95Å; R473-L521 HydrophobicContact CB-CD1 4.39Å; R473-L521 HydrophobicContact CB-CD2 4.03Å; R473-L521 HydrophobicContact CB-CG 4.35Å; R473-L521 HydrophobicContact CG-CB 4.22Å; R473-L521 HydrophobicContact CG-CD1 4.48Å; R473-K522 CarbonylContact C-O 3.53Å; R473-K522 VanDerWaalsContact CA-O 3.24Å; R473-K522 WeakPolarHBondContact CA-O 3.19Å; R473-K522 WeakPolarHBondContact CD-O 3.46Å
474W92.2Very high90.8Very high27 Ų2764.1 Ų64.110%0.10233%0.328CS..EExtended strand (participates in β ladder)trans-76.6146.2177-73.4-107.4000110.1T395 Y429 A472 D494 L500 L521 K522 L524T395-W474 HydrophobicContact CG2-CZ3 4.4Å; Y429-W474 HydrophobicContact CE1-CH2 4.44Å; Y429-W474 HydrophobicContact CE1-CZ2 4.06Å; A472-W474 HydrophobicContact CB-CH2 4.24Å; A472-W474 HydrophobicContact CB-CZ3 4.05Å; W474-D494 PolarHBondContact NE1-OD2 2.99Å; W474-L500 HydrophobicContact CD2-CB 4.2Å; W474-L500 HydrophobicContact CG-CB 4.09Å; W474-L521 WeakPolarHBondContact O-CA 3.3Å; W474-K522 HydrophobicContact CB-CB 4.37Å; W474-K522 PolarHBondContact N-O 2.89Å; W474-K522 PolarHBondContact O-N 2.54Å; W474-L524 HydrophobicContact CE3-CG 4.17Å; W474-L524 HydrophobicContact CH2-CB 4.49Å; W474-L524 HydrophobicContact CH2-CD1 3.24Å; W474-L524 HydrophobicContact CH2-CG 3.51Å; W474-L524 HydrophobicContact CZ2-CD1 3.55Å; W474-L524 HydrophobicContact CZ2-CG 3.94Å; W474-L524 HydrophobicContact CZ3-CB 4.38Å; W474-L524 HydrophobicContact CZ3-CD1 3.92Å; W474-L524 HydrophobicContact CZ3-CG 3.63Å
475I93Very high90.5Very high5 Ų564.7 Ų64.73%0.02634%0.335CS..EExtended strand (participates in β ladder)trans-122146.1176.5-176.6172.9000108.2Q479 L480 M484 P499 F501 V519I475-Q479 HydrophobicContact CD1-CB 4.28Å; I475-Q479 HydrophobicContact CG1-CB 4.21Å; I475-L480 HydrophobicContact CD1-CD1 4.42Å; I475-L480 HydrophobicContact CG2-CD1 4.12Å; I475-M484 HydrophobicContact CD1-SD 4.43Å; I475-P499 HydrophobicContact CG2-CB 3.8Å; I475-P499 HydrophobicContact CG2-CG 3.94Å; I475-P499 PolarHBondContact N-O 3.22Å; I475-P499 WeakPolarHBondContact O-CG 3.27Å; I475-F501 HydrophobicContact CB-CE2 4.5Å; I475-F501 HydrophobicContact CD1-CE2 3.91Å; I475-F501 HydrophobicContact CG2-CD2 4.36Å; I475-F501 HydrophobicContact CG2-CE2 4.14Å; I475-V519 HydrophobicContact CD1-CG1 3.39Å; I475-V519 HydrophobicContact CG1-CG1 3.78Å
476D90.8Very high90.2Very high56 Ų5663.4 Ų63.430%0.29933%0.329SS..  trans-63.1128.4170.8-164.8-48.6000110.1E478 Q479 L480D476-E478 PolarHBondContact O-N 2.79Å; D476-E478 VanDerWaalsContact O-N 3.07Å; D476-E478 WeakPolarHBondContact OD1-CB 3.5Å; D476-E478 PolarHBondContact OD1-N 3.32Å; D476-Q479 HydrophobicContact CB-CB 4.42Å; D476-Q479 HydrophobicContact CB-CG 4.11Å; D476-Q479 PolarHBondContact O-N 3.03Å; D476-L480 PolarHBondContact O-N 3.3Å
477P89.7Confident89.8Confident70 Ų7064 Ų6446%0.45534%0.336SS..G310 helixtrans-49.8-30.8174.5-27.233.6000114.5Q479 L480 P499P477-Q479 VanDerWaalsContact C-N 3.29Å; P477-Q479 PolarHBondContact O-N 2.87Å; P477-L480 PolarHBondContact O-N 2.79Å; P477-P499 HydrophobicContact CB-CG 4.35Å; P477-P499 HydrophobicContact CG-CG 3.95Å
478E90.7Very high89.5Confident182 Ų18267.6 Ų67.685%0.8535%0.347SS*.G310 helixtrans-70.8-24.2178.9-62.9-172.3175.700113.3D476D476-E478 PolarHBondContact O-N 2.79Å; D476-E478 VanDerWaalsContact O-N 3.07Å; D476-E478 WeakPolarHBondContact OD1-CB 3.5Å; D476-E478 PolarHBondContact OD1-N 3.32Å
479Q89.6Confident89.9Confident66 Ų6665.9 Ų65.931%0.30833%0.329SS..G310 helixtrans-95.6-5.4-179.4-61.8-171.4-36.400113.2I475 D476 P477 D481 M484 D518I475-Q479 HydrophobicContact CD1-CB 4.28Å; I475-Q479 HydrophobicContact CG1-CB 4.21Å; D476-Q479 HydrophobicContact CB-CB 4.42Å; D476-Q479 HydrophobicContact CB-CG 4.11Å; D476-Q479 PolarHBondContact O-N 3.03Å; P477-Q479 VanDerWaalsContact C-N 3.29Å; P477-Q479 PolarHBondContact O-N 2.87Å; Q479-D481 PolarHBondContact O-N 2.98Å; Q479-M484 WeakPolarHBondContact O-CE 3.29Å; Q479-D518 PolarHBondContact NE2-O 3.1Å
480L89.2Confident90Very high36 Ų3663.1 Ų63.119%0.18831%0.314CS..  trans-75.6122.9-172.5178.765.9000112.6Y432 I475 D476 P477 L491 P499 F501Y432-L480 HydrophobicContact CE1-CD2 4.47Å; Y432-L480 HydrophobicContact CE2-CD2 3.59Å; Y432-L480 VanDerWaalsContact OH-CD2 3.29Å; Y432-L480 WeakPolarHBondContact OH-CD2 3.35Å; I475-L480 HydrophobicContact CD1-CD1 4.42Å; I475-L480 HydrophobicContact CG2-CD1 4.12Å; D476-L480 PolarHBondContact O-N 3.3Å; P477-L480 PolarHBondContact O-N 2.79Å; L480-L491 HydrophobicContact CD1-CD1 3.53Å; L480-L491 HydrophobicContact CD1-CD2 3.92Å; L480-L491 HydrophobicContact CD1-CG 4.39Å; L480-P499 HydrophobicContact CD2-CB 3.74Å; L480-P499 HydrophobicContact CD2-CG 4.12Å; L480-F501 HydrophobicContact CD1-CE2 4.36Å; L480-F501 HydrophobicContact CD1-CZ 4.21Å
481D88.6Confident90.2Very high68 Ų6862 Ų6236%0.36431%0.309SS..  trans-117.6122.2159.5-179.7-9.3000109Q479 R483 M484Q479-D481 PolarHBondContact O-N 2.98Å; D481-R483 PolarHBondContact O-N 3.45Å; D481-R483 VanDerWaalsContact OD1-CB 3.27Å; D481-R483 WeakPolarHBondContact OD1-CB 3.41Å; D481-R483 VanDerWaalsContact OD1-CG 3.3Å; D481-R483 WeakPolarHBondContact OD1-CG 3.44Å; D481-R483 PolarHBondContact OD1-N 3.16Å; D481-M484 HydrophobicContact CB-CE 3.84Å; D481-M484 HydrophobicContact CB-CG 4Å; D481-M484 HydrophobicContact CB-SD 4.38Å; D481-M484 WeakPolarHBondContact O-CB 3.26Å; D481-M484 WeakPolarHBondContact O-CG 3.41Å; D481-M484 PolarHBondContact O-N 3.13Å
482E86.6Confident90.4Very high99 Ų9960.5 Ų60.546%0.46330%0.301SS..G310 helixtrans-55.4-27.7178.9-65.4179.9-17200112.9Y432 M484 S485 L491Y432-E482 HydrophobicContact CD1-CG 4.26Å; Y432-E482 HydrophobicContact CE1-CG 3.9Å; Y432-E482 WeakPolarHBondContact CE1-OE1 3.47Å; E482-M484 PolarHBondContact O-N 3.27Å; E482-S485 VanDerWaalsContact O-CB 3.27Å; E482-S485 WeakPolarHBondContact O-CB 3.42Å; E482-S485 PolarHBondContact O-N 2.97Å; E482-S485 VanDerWaalsContact O-N 3.08Å; E482-L491 HydrophobicContact CB-CD2 4.46Å; E482-L491 HydrophobicContact CG-CD2 4.26Å
483R87.8Confident90.5Very high211 Ų21162.4 Ų62.480%0.79631%0.31SS*.G310 helixtrans-68-12.5177.3-60.9171-179.11692.8113.3D481 S485D481-R483 PolarHBondContact O-N 3.45Å; D481-R483 VanDerWaalsContact OD1-CB 3.27Å; D481-R483 WeakPolarHBondContact OD1-CB 3.41Å; D481-R483 VanDerWaalsContact OD1-CG 3.3Å; D481-R483 WeakPolarHBondContact OD1-CG 3.44Å; D481-R483 PolarHBondContact OD1-N 3.16Å; R483-S485 PolarHBondContact O-N 2.99Å
484M89.7Confident90.4Very high20 Ų2060.9 Ų60.910%0.09931%0.305CS..G310 helixtrans-71.2-20.6172.5-58.2-178.8-179.800111.8I475 Q479 D481 E482 N489 F501 F512 Y516 V519I475-M484 HydrophobicContact CD1-SD 4.43Å; Q479-M484 WeakPolarHBondContact O-CE 3.29Å; D481-M484 HydrophobicContact CB-CE 3.84Å; D481-M484 HydrophobicContact CB-CG 4Å; D481-M484 HydrophobicContact CB-SD 4.38Å; D481-M484 WeakPolarHBondContact O-CB 3.26Å; D481-M484 WeakPolarHBondContact O-CG 3.41Å; D481-M484 PolarHBondContact O-N 3.13Å; E482-M484 PolarHBondContact O-N 3.27Å; M484-N489 PolarHBondContact O-ND2 2.84Å; M484-F501 HydrophobicContact CB-CE1 4.33Å; M484-F501 HydrophobicContact CB-CZ 3.79Å; M484-F512 HydrophobicContact CB-CE2 3.85Å; M484-F512 HydrophobicContact CB-CZ 4.22Å; M484-F512 HydrophobicContact SD-CE2 4.48Å; M484-F512 HydrophobicContact SD-CZ 3.95Å; M484-Y516 HydrophobicContact CB-CE2 3.97Å; M484-Y516 HydrophobicContact CE-CD1 3.93Å; M484-Y516 HydrophobicContact CE-CE1 4.16Å; M484-Y516 HydrophobicContact CE-CG 4.35Å; M484-Y516 HydrophobicContact CG-CD1 4.35Å; M484-Y516 HydrophobicContact CG-CD2 4.35Å; M484-Y516 HydrophobicContact CG-CE1 3.86Å; M484-Y516 HydrophobicContact CG-CE2 3.86Å; M484-Y516 HydrophobicContact SD-CD1 4.35Å; M484-Y516 HydrophobicContact SD-CD2 4.4Å; M484-Y516 HydrophobicContact SD-CE1 4.44Å; M484-Y516 HydrophobicContact SD-CE2 4.49Å; M484-Y516 HydrophobicContact SD-CG 4.33Å; M484-V519 HydrophobicContact CE-CG2 3.91Å; M484-V519 HydrophobicContact SD-CG2 4.36Å
485S88.8Confident90.1Very high49 Ų4964.4 Ų64.434%0.34332%0.318SS..  trans-68.5138.6178.6-169.30000112.1E482 R483 N489 L491E482-S485 VanDerWaalsContact O-CB 3.27Å; E482-S485 WeakPolarHBondContact O-CB 3.42Å; E482-S485 PolarHBondContact O-N 2.97Å; E482-S485 VanDerWaalsContact O-N 3.08Å; R483-S485 PolarHBondContact O-N 2.99Å; S485-N489 PolarHBondContact OG-O 3.11Å; S485-L491 PolarHBondContact OG-N 3.49Å
486S88.8Confident89.7Confident49 Ų4969.3 Ų69.334%0.34334%0.34SS..BIsolated β-bridgetrans-144.4-178.4170.584.50000110.8R488 N489S486-R488 PolarHBondContact O-N 3.45Å; S486-R488 PolarHBondContact OG-N 3.29Å; S486-R488 VanDerWaalsContact OG-N 3.12Å; S486-N489 VanDerWaalsContact CB-OD1 3.24Å; S486-N489 WeakPolarHBondContact CB-OD1 3.45Å; S486-N489 PolarHBondContact N-O 3.06Å; S486-N489 PolarHBondContact N-OD1 2.97Å; S486-N489 CarbonylContact O-C 3.34Å; S486-N489 PolarHBondContact O-N 3.36Å; S486-N489 PolarHBondContact OG-OD1 3.47Å
487S85.4Confident89.6Confident111 Ų11171.2 Ų71.278%0.77635%0.35SS*.THydrogen-bonded Turntrans-61.6-20.8173.461.30000113.5
488R87.9Confident89.7Confident117 Ų11772 Ų7244%0.44235%0.348SS..THydrogen-bonded Turntrans-92.2-18-179.4-61.6-169.9175.4170.5-0.6113.9S486 F503 E504 A508S486-R488 PolarHBondContact O-N 3.45Å; S486-R488 PolarHBondContact OG-N 3.29Å; S486-R488 VanDerWaalsContact OG-N 3.12Å; R488-F503 WeakPolarHBondContact O-CA 3.34Å; R488-E504 HydrophobicContact CB-CG 4Å; R488-E504 WeakPolarHBondContact CD-OE1 3.22Å; R488-E504 HydrophobicContact CG-CG 4.4Å; R488-E504 IonicContact NE-OE1 2.63Å; R488-E504 PolarHBondContact O-N 3.37Å; R488-A508 HydrophobicContact CB-CB 4.17Å
489N91.8Very high89.8Confident4 Ų463.7 Ų63.72%0.02131%0.309CS..EExtended strand (participates in β ladder)trans-145.185.3-176.761.5-40.6000108M484 S485 S486 L491 F501 L502 F503 F512M484-N489 PolarHBondContact O-ND2 2.84Å; S485-N489 PolarHBondContact OG-O 3.11Å; S486-N489 VanDerWaalsContact CB-OD1 3.24Å; S486-N489 WeakPolarHBondContact CB-OD1 3.45Å; S486-N489 PolarHBondContact N-O 3.06Å; S486-N489 PolarHBondContact N-OD1 2.97Å; S486-N489 CarbonylContact O-C 3.34Å; S486-N489 PolarHBondContact O-N 3.36Å; S486-N489 PolarHBondContact OG-OD1 3.47Å; N489-L491 PolarHBondContact O-N 3.25Å; N489-F501 HydrophobicContact CB-CD1 4.15Å; N489-L502 WeakPolarHBondContact CA-O 3.41Å; N489-F503 HydrophobicContact CB-CD1 3.49Å; N489-F503 VanDerWaalsContact CB-CD1 3.49Å; N489-F503 HydrophobicContact CB-CE1 3.46Å; N489-F503 VanDerWaalsContact CB-CE1 3.46Å; N489-F503 HydrophobicContact CB-CG 4.4Å; N489-F503 HydrophobicContact CB-CZ 4.38Å; N489-F512 WeakPolarHBondContact ND2-CD2 3.23Å; N489-F512 VanDerWaalsContact ND2-CE2 3.27Å; N489-F512 WeakPolarHBondContact ND2-CE2 3.45Å
490I92.5Very high90.1Very high44 Ų4460.5 Ų60.523%0.22629%0.294CS..EExtended strand (participates in β ladder)trans-74.7122.9-174.5-59.9169.5000107.9M467 A492 F501 L502M467-I490 HydrophobicContact CE-CD1 3.61Å; I490-A492 PolarHBondContact O-N 3.07Å; I490-F501 WeakPolarHBondContact O-CA 3.36Å; I490-L502 HydrophobicContact CB-CB 4.35Å; I490-L502 PolarHBondContact N-O 2.97Å; I490-L502 PolarHBondContact O-N 3.28Å
491L95.1Very high90.4Very high8 Ų858.8 Ų58.84%0.04229%0.285CS..EExtended strand (participates in β ladder)trans-73.9124.7172-175.164.4000110.3Y432 L480 E482 S485 N489 F501Y432-L491 WeakPolarHBondContact CB-O 3.34Å; Y432-L491 HydrophobicContact CD1-CD2 3.72Å; Y432-L491 HydrophobicContact CD1-CG 4.37Å; Y432-L491 HydrophobicContact CD2-CD1 4.2Å; Y432-L491 HydrophobicContact CD2-CD2 3.78Å; Y432-L491 HydrophobicContact CD2-CG 3.69Å; Y432-L491 HydrophobicContact CE1-CD2 4.22Å; Y432-L491 HydrophobicContact CE2-CD2 4.29Å; Y432-L491 HydrophobicContact CE2-CG 4.49Å; Y432-L491 HydrophobicContact CG-CD2 3.49Å; Y432-L491 VanDerWaalsContact CG-CD2 3.49Å; Y432-L491 HydrophobicContact CG-CG 3.64Å; Y432-L491 PolarHBondContact N-O 2.95Å; Y432-L491 VanDerWaalsContact N-O 3.15Å; L480-L491 HydrophobicContact CD1-CD1 3.53Å; L480-L491 HydrophobicContact CD1-CD2 3.92Å; L480-L491 HydrophobicContact CD1-CG 4.39Å; E482-L491 HydrophobicContact CB-CD2 4.46Å; E482-L491 HydrophobicContact CG-CD2 4.26Å; S485-L491 PolarHBondContact OG-N 3.49Å; N489-L491 PolarHBondContact O-N 3.25Å; L491-F501 HydrophobicContact CB-CD1 4.26Å; L491-F501 HydrophobicContact CB-CE1 3.87Å; L491-F501 HydrophobicContact CD1-CD1 4.22Å; L491-F501 HydrophobicContact CD1-CE1 3.78Å; L491-F501 HydrophobicContact CD1-CE2 4.12Å; L491-F501 HydrophobicContact CD1-CZ 3.72Å; L491-F501 HydrophobicContact CG-CE1 4.34Å
492A95Very high90.6Very high0 Ų055.6 Ų55.60%027%0.268CS..EExtended strand (participates in β ladder)trans-132.4170.5179.900000110.6K430 I490 L500 L502K430-A492 CarbonylContact O-C 3.56Å; K430-A492 WeakPolarHBondContact O-CA 3.48Å; K430-A492 WeakPolarHBondContact O-CB 3.22Å; I490-A492 PolarHBondContact O-N 3.07Å; A492-L500 HydrophobicContact CB-CG 4.29Å; A492-L500 PolarHBondContact N-O 2.89Å; A492-L500 PolarHBondContact O-N 3.2Å; A492-L500 VanDerWaalsContact O-O 3.13Å; A492-L502 HydrophobicContact CB-CD1 4.25Å; A492-L502 HydrophobicContact CB-CG 4.32Å
493K94.5Very high91Very high40 Ų4050.9 Ų50.917%0.17425%0.246CC..EExtended strand (participates in β ladder)trans-121141.9169.9-59.8174.3-172.5162.30108.3Y429 K430 Y432 Q498Y429-K493 CarbonylContact C-O 3.53Å; Y429-K493 WeakPolarHBondContact CA-O 3.39Å; K430-K493 PolarHBondContact N-O 3.23Å; K430-K493 PolarHBondContact O-N 3.47Å; Y432-K493 HydrophobicContact CD2-CD 3.96Å; Y432-K493 HydrophobicContact CD2-CG 3.44Å; Y432-K493 VanDerWaalsContact CD2-CG 3.44Å; Y432-K493 HydrophobicContact CE2-CD 4.16Å; Y432-K493 HydrophobicContact CE2-CG 3.87Å; Y432-K493 HydrophobicContact CG-CG 4.28Å; Y432-K493 WeakPolarHBondContact O-CE 3.49Å; Y432-K493 PolarHBondContact O-NZ 2.89Å; K493-Q498 CarbonylContact C-O 3.57Å; K493-Q498 VanDerWaalsContact CA-O 3.3Å; K493-Q498 WeakPolarHBondContact CA-O 3.24Å
494D91.4Very high91.2Very high17 Ų1743.9 Ų43.99%0.09122%0.223CC..EExtended strand (participates in β ladder)trans-79.5-171.8171.471.212000111.8L428 Y429 W474 F496 D497 Q498 L500L428-D494 CarbonylContact O-C 3.4Å; Y429-D494 HydrophobicContact CD1-CB 4.04Å; Y429-D494 HydrophobicContact CE1-CB 4.07Å; W474-D494 PolarHBondContact NE1-OD2 2.99Å; D494-F496 PolarHBondContact O-N 3.28Å; D494-F496 WeakPolarHBondContact OD1-CA 3.31Å; D494-F496 WeakPolarHBondContact OD1-CB 3.4Å; D494-F496 PolarHBondContact OD1-N 3.49Å; D494-D497 PolarHBondContact O-N 2.9Å; D494-D497 VanDerWaalsContact O-N 3.15Å; D494-D497 PolarHBondContact OD1-N 3.21Å; D494-Q498 PolarHBondContact N-O 3.42Å; D494-Q498 PolarHBondContact OD1-N 2.97Å; D494-L500 HydrophobicContact CB-CD2 3.79Å; D494-L500 VanDerWaalsContact N-CD2 3.34Å
495R85.8Confident91.3Very high101 Ų10145.9 Ų45.938%0.38123%0.234SC..THydrogen-bonded Turntrans-64.6-16.5178.973.3-179.8-175.4-175.2-1.3114.5L428L428-R495 HydrophobicContact CB-CB 4.32Å; L428-R495 PolarHBondContact O-N 3.43Å; L428-R495 VanDerWaalsContact O-N 3.16Å
496F84.4Confident91.4Very high107 Ų10748.1 Ų48.147%0.46924%0.238SC..THydrogen-bonded Turntrans-103.613.4178.6-57.6-65.2000112.2D494 Q498D494-F496 PolarHBondContact O-N 3.28Å; D494-F496 WeakPolarHBondContact OD1-CA 3.31Å; D494-F496 WeakPolarHBondContact OD1-CB 3.4Å; D494-F496 PolarHBondContact OD1-N 3.49Å; F496-Q498 HydrophobicContact CB-CG 4.26Å; F496-Q498 PolarHBondContact O-N 3.47Å
497D88.6Confident91.5Very high96 Ų9651.7 Ų51.751%0.51325%0.248SC..  trans60.319.2-175.6-59.3-52.3000113.8K430 D494K430-D497 IonicContact NZ-OD1 2.67Å; D494-D497 PolarHBondContact O-N 2.9Å; D494-D497 VanDerWaalsContact O-N 3.15Å; D494-D497 PolarHBondContact OD1-N 3.21Å
498Q91.3Very high91.8Very high88 Ų8846.6 Ų46.641%0.41121%0.212SC..  trans-76133.5173.3-63.6-65.2-4400110K493 D494 F496K493-Q498 CarbonylContact C-O 3.57Å; K493-Q498 VanDerWaalsContact CA-O 3.3Å; K493-Q498 WeakPolarHBondContact CA-O 3.24Å; D494-Q498 PolarHBondContact N-O 3.42Å; D494-Q498 PolarHBondContact OD1-N 2.97Å; F496-Q498 HydrophobicContact CB-CG 4.26Å; F496-Q498 PolarHBondContact O-N 3.47Å
499P94.1Very high92Very high6 Ų642.6 Ų42.64%0.03920%0.199CC..EExtended strand (participates in β ladder)trans-74.4140.9-178.228.1-30.3000112Y432 I475 P477 L480Y432-P499 HydrophobicContact CE2-CB 4.11Å; I475-P499 HydrophobicContact CG2-CB 3.8Å; I475-P499 HydrophobicContact CG2-CG 3.94Å; I475-P499 PolarHBondContact N-O 3.22Å; I475-P499 WeakPolarHBondContact O-CG 3.27Å; P477-P499 HydrophobicContact CB-CG 4.35Å; P477-P499 HydrophobicContact CG-CG 3.95Å; L480-P499 HydrophobicContact CD2-CB 3.74Å; L480-P499 HydrophobicContact CD2-CG 4.12Å
500L94.6Very high92.1Very high0 Ų050.4 Ų50.40%023%0.228CC..EExtended strand (participates in β ladder)trans-147.8159173.366.7133.5000111.9Y429 A472 R473 W474 A492 D494 L502Y429-L500 HydrophobicContact CD1-CD1 3.91Å; Y429-L500 HydrophobicContact CD1-CD2 3.72Å; Y429-L500 HydrophobicContact CD1-CG 4.4Å; Y429-L500 HydrophobicContact CE1-CD1 3.71Å; Y429-L500 HydrophobicContact CE1-CD2 3.87Å; Y429-L500 HydrophobicContact CE1-CG 4.45Å; A472-L500 HydrophobicContact CB-CD1 3.82Å; R473-L500 CarbonylContact O-C 3.53Å; R473-L500 WeakPolarHBondContact O-CA 3.15Å; R473-L500 WeakPolarHBondContact O-CB 3.3Å; W474-L500 HydrophobicContact CD2-CB 4.2Å; W474-L500 HydrophobicContact CG-CB 4.09Å; A492-L500 HydrophobicContact CB-CG 4.29Å; A492-L500 PolarHBondContact N-O 2.89Å; A492-L500 PolarHBondContact O-N 3.2Å; A492-L500 VanDerWaalsContact O-O 3.13Å; D494-L500 HydrophobicContact CB-CD2 3.79Å; D494-L500 VanDerWaalsContact N-CD2 3.34Å; L500-L502 HydrophobicContact CD1-CD2 3.61Å; L500-L502 HydrophobicContact CD1-CG 4.25Å
501F94.9Very high92.1Very high0 Ų053.8 Ų53.80%024%0.238CC..EExtended strand (participates in β ladder)trans-103134.8169.4-72.6-78000111.1A472 R473 I475 L480 M484 N489 I490 L491 F503 F512 L521A472-F501 WeakPolarHBondContact CA-O 3.18Å; R473-F501 PolarHBondContact N-O 3.32Å; R473-F501 PolarHBondContact O-N 2.82Å; I475-F501 HydrophobicContact CB-CE2 4.5Å; I475-F501 HydrophobicContact CD1-CE2 3.91Å; I475-F501 HydrophobicContact CG2-CD2 4.36Å; I475-F501 HydrophobicContact CG2-CE2 4.14Å; L480-F501 HydrophobicContact CD1-CE2 4.36Å; L480-F501 HydrophobicContact CD1-CZ 4.21Å; M484-F501 HydrophobicContact CB-CE1 4.33Å; M484-F501 HydrophobicContact CB-CZ 3.79Å; N489-F501 HydrophobicContact CB-CD1 4.15Å; I490-F501 WeakPolarHBondContact O-CA 3.36Å; L491-F501 HydrophobicContact CB-CD1 4.26Å; L491-F501 HydrophobicContact CB-CE1 3.87Å; L491-F501 HydrophobicContact CD1-CD1 4.22Å; L491-F501 HydrophobicContact CD1-CE1 3.78Å; L491-F501 HydrophobicContact CD1-CE2 4.12Å; L491-F501 HydrophobicContact CD1-CZ 3.72Å; L491-F501 HydrophobicContact CG-CE1 4.34Å; F501-F503 HydrophobicContact CB-CD2 4.09Å; F501-F503 HydrophobicContact CB-CE1 4.3Å; F501-F503 HydrophobicContact CB-CE2 3.48Å; F501-F503 VanDerWaalsContact CB-CE2 3.48Å; F501-F503 HydrophobicContact CB-CZ 3.61Å; F501-F503 HydrophobicContact CG-CE2 4.46Å; F501-F503 HydrophobicContact CG-CZ 4.16Å; F501-F512 HydrophobicContact CD1-CE2 4.47Å; F501-F512 HydrophobicContact CD2-CE2 4.24Å; F501-F512 AromaticContact CD2-CZ 3.87Å; F501-F512 HydrophobicContact CD2-CZ 3.87Å; F501-F512 HydrophobicContact CE1-CE2 4.2Å; F501-F512 HydrophobicContact CE2-CE1 4.49Å; F501-F512 AromaticContact CE2-CE2 3.97Å; F501-F512 HydrophobicContact CE2-CE2 3.97Å; F501-F512 AromaticContact CE2-CZ 3.54Å; F501-F512 HydrophobicContact CE2-CZ 3.54Å; F501-F512 HydrophobicContact CG-CE2 4.48Å; F501-F512 AromaticContact CZ-CE2 3.96Å; F501-F512 HydrophobicContact CZ-CE2 3.96Å; F501-F512 AromaticContact CZ-CZ 3.94Å; F501-F512 HydrophobicContact CZ-CZ 3.94Å; F501-L521 HydrophobicContact CD2-CD2 4.44Å
502L94.4Very high92Very high0 Ų053.4 Ų53.40%024%0.237CC..EExtended strand (participates in β ladder)trans-9897.3167.6-60.2-179.7000109F399 I438 K470 A472 N489 I490 A492 L500F399-L502 HydrophobicContact CD1-CD1 4.01Å; F399-L502 HydrophobicContact CD1-CD2 4.07Å; F399-L502 HydrophobicContact CE1-CD1 4.21Å; F399-L502 HydrophobicContact CE1-CD2 3.45Å; F399-L502 VanDerWaalsContact CE1-CD2 3.45Å; F399-L502 HydrophobicContact CE1-CG 4.49Å; F399-L502 HydrophobicContact CE2-CD2 4.39Å; F399-L502 HydrophobicContact CZ-CD2 3.64Å; I438-L502 HydrophobicContact CD1-CD1 4.25Å; I438-L502 HydrophobicContact CG2-CD1 4.31Å; K470-L502 HydrophobicContact CB-CB 4.05Å; K470-L502 HydrophobicContact CB-CD2 4.48Å; K470-L502 HydrophobicContact CD-CB 4.18Å; K470-L502 HydrophobicContact CG-CB 4.1Å; A472-L502 HydrophobicContact CB-CD2 3.69Å; N489-L502 WeakPolarHBondContact CA-O 3.41Å; I490-L502 HydrophobicContact CB-CB 4.35Å; I490-L502 PolarHBondContact N-O 2.97Å; I490-L502 PolarHBondContact O-N 3.28Å; A492-L502 HydrophobicContact CB-CD1 4.25Å; A492-L502 HydrophobicContact CB-CG 4.32Å; L500-L502 HydrophobicContact CD1-CD2 3.61Å; L500-L502 HydrophobicContact CD1-CG 4.25Å
503F94.3Very high91.8Very high0 Ų055.6 Ų55.60%026%0.255CS..EExtended strand (participates in β ladder)trans-80.1138179.4-65.4-80.3000111.6K470 I471 R473 R488 N489 F501 N505 A508 M509 F512 L521K470-F503 CarbonylContact C-O 3.54Å; K470-F503 WeakPolarHBondContact CA-O 3.44Å; I471-F503 HydrophobicContact CB-CB 4.25Å; I471-F503 PolarHBondContact N-O 3.27Å; I471-F503 WeakPolarHBondContact O-CD2 3.41Å; I471-F503 PolarHBondContact O-N 2.95Å; R473-F503 HydrophobicContact CB-CD2 4.45Å; R473-F503 HydrophobicContact CB-CE2 3.99Å; R473-F503 HydrophobicContact CG-CD2 4.26Å; R473-F503 HydrophobicContact CG-CE2 4.12Å; R488-F503 WeakPolarHBondContact O-CA 3.34Å; N489-F503 HydrophobicContact CB-CD1 3.49Å; N489-F503 VanDerWaalsContact CB-CD1 3.49Å; N489-F503 HydrophobicContact CB-CE1 3.46Å; N489-F503 VanDerWaalsContact CB-CE1 3.46Å; N489-F503 HydrophobicContact CB-CG 4.4Å; N489-F503 HydrophobicContact CB-CZ 4.38Å; F501-F503 HydrophobicContact CB-CD2 4.09Å; F501-F503 HydrophobicContact CB-CE1 4.3Å; F501-F503 HydrophobicContact CB-CE2 3.48Å; F501-F503 VanDerWaalsContact CB-CE2 3.48Å; F501-F503 HydrophobicContact CB-CZ 3.61Å; F501-F503 HydrophobicContact CG-CE2 4.46Å; F501-F503 HydrophobicContact CG-CZ 4.16Å; F503-N505 VanDerWaalsContact C-N 3.3Å; F503-N505 PolarHBondContact O-N 2.99Å; F503-A508 HydrophobicContact CD1-CB 4.31Å; F503-M509 HydrophobicContact CB-CB 4.28Å; F503-M509 HydrophobicContact CD1-CB 4.12Å; F503-M509 HydrophobicContact CD2-CB 4.18Å; F503-M509 HydrophobicContact CD2-CG 4.06Å; F503-M509 HydrophobicContact CE2-CG 4.16Å; F503-M509 HydrophobicContact CG-CB 3.92Å; F503-M509 HydrophobicContact CG-CG 4.31Å; F503-F512 HydrophobicContact CE1-CB 3.48Å; F503-F512 VanDerWaalsContact CE1-CB 3.48Å; F503-F512 HydrophobicContact CE1-CD1 4.26Å; F503-F512 AromaticContact CE1-CD2 3.86Å; F503-F512 HydrophobicContact CE1-CD2 3.86Å; F503-F512 AromaticContact CE1-CG 3.62Å; F503-F512 HydrophobicContact CE1-CG 3.62Å; F503-F512 HydrophobicContact CZ-CB 3.97Å; F503-F512 AromaticContact CZ-CD1 3.89Å; F503-F512 HydrophobicContact CZ-CD1 3.89Å; F503-F512 HydrophobicContact CZ-CD2 4.11Å; F503-F512 HydrophobicContact CZ-CE1 4.39Å; F503-F512 AromaticContact CZ-CG 3.72Å; F503-F512 HydrophobicContact CZ-CG 3.72Å; F503-L521 HydrophobicContact CE2-CD1 3.8Å; F503-L521 HydrophobicContact CE2-CD2 4.45Å; F503-L521 HydrophobicContact CZ-CD1 3.76Å; F503-L521 HydrophobicContact CZ-CD2 4.5Å
504E92.3Very high91.7Very high65 Ų6559.9 Ų59.930%0.30428%0.279SS..SBendtrans-64.4-29.9178.158.8170.7-158.500114.4R488 A508R488-E504 HydrophobicContact CB-CG 4Å; R488-E504 WeakPolarHBondContact CD-OE1 3.22Å; R488-E504 HydrophobicContact CG-CG 4.4Å; R488-E504 IonicContact NE-OE1 2.63Å; R488-E504 PolarHBondContact O-N 3.37Å; E504-A508 HydrophobicContact CG-CB 3.56Å
505N91.3Very high91.7Very high62 Ų6264 Ų6433%0.33230%0.296SS..SBendtrans-169.3175.7-178.355.352.5000110.7F503 F507 A508 M509F503-N505 VanDerWaalsContact C-N 3.3Å; F503-N505 PolarHBondContact O-N 2.99Å; N505-F507 VanDerWaalsContact C-N 3.25Å; N505-F507 PolarHBondContact O-N 2.79Å; N505-F507 WeakPolarHBondContact OD1-CA 3.43Å; N505-F507 VanDerWaalsContact OD1-CB 3.31Å; N505-F507 WeakPolarHBondContact OD1-CB 3.35Å; N505-F507 PolarHBondContact OD1-N 3.48Å; N505-A508 PolarHBondContact O-N 3.29Å; N505-A508 PolarHBondContact OD1-N 3.09Å; N505-M509 PolarHBondContact O-N 3.35Å
506Q90.5Very high92Very high95 Ų9561.5 Ų61.544%0.44429%0.287SS..Hα-helixtrans-58.9-33.1178.1-72.9-70.6-18.100113.3I471 M509 R510I471-Q506 HydrophobicContact CD1-CB 4.44Å; I471-Q506 HydrophobicContact CD1-CG 3.8Å; Q506-M509 PolarHBondContact O-N 3.11Å; Q506-R510 WeakPolarHBondContact O-CG 3.48Å; Q506-R510 PolarHBondContact O-N 3.05Å
507F91.3Very high92.3Very high125 Ų12561.2 Ų61.255%0.54830%0.296SS..Hα-helixtrans-67.5-44.5178.7172.4-93.2000111.4N505 M509 R510 W511N505-F507 VanDerWaalsContact C-N 3.25Å; N505-F507 PolarHBondContact O-N 2.79Å; N505-F507 WeakPolarHBondContact OD1-CA 3.43Å; N505-F507 VanDerWaalsContact OD1-CB 3.31Å; N505-F507 WeakPolarHBondContact OD1-CB 3.35Å; N505-F507 PolarHBondContact OD1-N 3.48Å; F507-M509 VanDerWaalsContact C-N 3.29Å; F507-M509 PolarHBondContact O-N 2.87Å; F507-R510 PolarHBondContact O-N 3.07Å; F507-W511 WeakPolarHBondContact O-CB 3.28Å; F507-W511 PolarHBondContact O-N 3.44Å
508A92.5Very high92.3Very high3 Ų363.6 Ų63.63%0.02531%0.309CS..Hα-helixtrans-61.3-38.3175.800000112.1R488 F503 E504 N505 F512R488-A508 HydrophobicContact CB-CB 4.17Å; F503-A508 HydrophobicContact CD1-CB 4.31Å; E504-A508 HydrophobicContact CG-CB 3.56Å; N505-A508 PolarHBondContact O-N 3.29Å; N505-A508 PolarHBondContact OD1-N 3.09Å; A508-F512 WeakPolarHBondContact O-CB 3.27Å; A508-F512 PolarHBondContact O-N 3.2Å
509M92.3Very high92.3Very high33 Ų3360.5 Ų60.516%0.16330%0.296CS..Hα-helixtrans-66-45.9175.9-170.8-175.875.500112.1I471 R473 F503 N505 Q506 F507 F512 A513 L521I471-M509 HydrophobicContact CG2-SD 4.03Å; R473-M509 HydrophobicContact CG-SD 4.08Å; F503-M509 HydrophobicContact CB-CB 4.28Å; F503-M509 HydrophobicContact CD1-CB 4.12Å; F503-M509 HydrophobicContact CD2-CB 4.18Å; F503-M509 HydrophobicContact CD2-CG 4.06Å; F503-M509 HydrophobicContact CE2-CG 4.16Å; F503-M509 HydrophobicContact CG-CB 3.92Å; F503-M509 HydrophobicContact CG-CG 4.31Å; N505-M509 PolarHBondContact O-N 3.35Å; Q506-M509 PolarHBondContact O-N 3.11Å; F507-M509 VanDerWaalsContact C-N 3.29Å; F507-M509 PolarHBondContact O-N 2.87Å; M509-F512 WeakPolarHBondContact O-CB 3.4Å; M509-F512 PolarHBondContact O-N 3.05Å; M509-A513 PolarHBondContact O-N 3.25Å; M509-L521 HydrophobicContact CG-CD1 4.26Å
510R92.2Very high92Very high168 Ų16865.7 Ų65.763%0.63432%0.32SS*.Hα-helixtrans-62.1-46.2176.2-72.3176.7-174.3-179.90.7111.9Q506 F507 F512 A513 D514Q506-R510 WeakPolarHBondContact O-CG 3.48Å; Q506-R510 PolarHBondContact O-N 3.05Å; F507-R510 PolarHBondContact O-N 3.07Å; R510-F512 PolarHBondContact O-N 2.78Å; R510-A513 PolarHBondContact O-N 3.16Å; R510-A513 VanDerWaalsContact O-N 3.13Å; R510-D514 VanDerWaalsContact O-CG 3.32Å; R510-D514 PolarHBondContact O-N 3.46Å
511W92.5Very high91.8Very high115 Ų11567.7 Ų67.744%0.43633%0.33SS..Hα-helixtrans-60.9-35.3177.8-176.279.3000112.5F507 K515F507-W511 WeakPolarHBondContact O-CB 3.28Å; F507-W511 PolarHBondContact O-N 3.44Å; W511-K515 HydrophobicContact CH2-CD 3.71Å; W511-K515 HydrophobicContact CZ2-CD 4.12Å; W511-K515 HydrophobicContact CZ3-CD 4.01Å; W511-K515 WeakPolarHBondContact O-CB 3.45Å; W511-K515 PolarHBondContact O-N 2.8Å; W511-K515 VanDerWaalsContact O-N 3.09Å
512F93.3Very high91.4Very high1 Ų172.2 Ų72.20%0.00435%0.35CS..Hα-helixtrans-65.6-46.8173.4-176.6-84.7000112.1M484 N489 F501 F503 A508 M509 R510 D514 K515 Y516 V519 L521M484-F512 HydrophobicContact CB-CE2 3.85Å; M484-F512 HydrophobicContact CB-CZ 4.22Å; M484-F512 HydrophobicContact SD-CE2 4.48Å; M484-F512 HydrophobicContact SD-CZ 3.95Å; N489-F512 WeakPolarHBondContact ND2-CD2 3.23Å; N489-F512 VanDerWaalsContact ND2-CE2 3.27Å; N489-F512 WeakPolarHBondContact ND2-CE2 3.45Å; F501-F512 HydrophobicContact CD1-CE2 4.47Å; F501-F512 HydrophobicContact CD2-CE2 4.24Å; F501-F512 AromaticContact CD2-CZ 3.87Å; F501-F512 HydrophobicContact CD2-CZ 3.87Å; F501-F512 HydrophobicContact CE1-CE2 4.2Å; F501-F512 HydrophobicContact CE2-CE1 4.49Å; F501-F512 AromaticContact CE2-CE2 3.97Å; F501-F512 HydrophobicContact CE2-CE2 3.97Å; F501-F512 AromaticContact CE2-CZ 3.54Å; F501-F512 HydrophobicContact CE2-CZ 3.54Å; F501-F512 HydrophobicContact CG-CE2 4.48Å; F501-F512 AromaticContact CZ-CE2 3.96Å; F501-F512 HydrophobicContact CZ-CE2 3.96Å; F501-F512 AromaticContact CZ-CZ 3.94Å; F501-F512 HydrophobicContact CZ-CZ 3.94Å; F503-F512 HydrophobicContact CE1-CB 3.48Å; F503-F512 VanDerWaalsContact CE1-CB 3.48Å; F503-F512 HydrophobicContact CE1-CD1 4.26Å; F503-F512 AromaticContact CE1-CD2 3.86Å; F503-F512 HydrophobicContact CE1-CD2 3.86Å; F503-F512 AromaticContact CE1-CG 3.62Å; F503-F512 HydrophobicContact CE1-CG 3.62Å; F503-F512 HydrophobicContact CZ-CB 3.97Å; F503-F512 AromaticContact CZ-CD1 3.89Å; F503-F512 HydrophobicContact CZ-CD1 3.89Å; F503-F512 HydrophobicContact CZ-CD2 4.11Å; F503-F512 HydrophobicContact CZ-CE1 4.39Å; F503-F512 AromaticContact CZ-CG 3.72Å; F503-F512 HydrophobicContact CZ-CG 3.72Å; A508-F512 WeakPolarHBondContact O-CB 3.27Å; A508-F512 PolarHBondContact O-N 3.2Å; M509-F512 WeakPolarHBondContact O-CB 3.4Å; M509-F512 PolarHBondContact O-N 3.05Å; R510-F512 PolarHBondContact O-N 2.78Å; F512-D514 VanDerWaalsContact C-N 3.31Å; F512-D514 PolarHBondContact O-N 3.14Å; F512-K515 PolarHBondContact O-N 2.96Å; F512-Y516 HydrophobicContact CD1-CD2 4.26Å; F512-Y516 AromaticContact CD2-CD2 3.85Å; F512-Y516 HydrophobicContact CD2-CD2 3.85Å; F512-Y516 HydrophobicContact CD2-CE2 4.05Å; F512-Y516 HydrophobicContact CE1-CD2 4.12Å; F512-Y516 AromaticContact CE2-CD2 3.75Å; F512-Y516 HydrophobicContact CE2-CD2 3.75Å; F512-Y516 AromaticContact CE2-CE2 3.92Å; F512-Y516 HydrophobicContact CE2-CE2 3.92Å; F512-Y516 HydrophobicContact CG-CD2 4.14Å; F512-Y516 AromaticContact CZ-CD2 3.87Å; F512-Y516 HydrophobicContact CZ-CD2 3.87Å; F512-Y516 HydrophobicContact CZ-CE2 4.41Å; F512-Y516 PolarHBondContact O-N 2.97Å; F512-V519 HydrophobicContact CE1-CB 4.48Å; F512-V519 HydrophobicContact CE1-CG1 4.02Å; F512-L521 HydrophobicContact CD1-CD1 3.85Å; F512-L521 HydrophobicContact CD1-CG 4.48Å; F512-L521 HydrophobicContact CE1-CD1 4.19Å; F512-L521 HydrophobicContact CE1-CD2 4.05Å; F512-L521 HydrophobicContact CE1-CG 4.36Å
513A91.5Very high90.7Very high46 Ų4675.6 Ų75.638%0.3837%0.374SS..Hα-helixtrans-61.4-39.1176.900000111.9M509 R510 K515 Y516 P517M509-A513 PolarHBondContact O-N 3.25Å; R510-A513 PolarHBondContact O-N 3.16Å; R510-A513 VanDerWaalsContact O-N 3.13Å; A513-K515 VanDerWaalsContact C-N 3.32Å; A513-K515 PolarHBondContact O-N 3.19Å; A513-Y516 CarbonylContact O-C 3.19Å; A513-Y516 VanDerWaalsContact O-C 3.31Å; A513-Y516 PolarHBondContact O-N 2.82Å; A513-P517 VanDerWaalsContact O-CA 3.32Å; A513-P517 WeakPolarHBondContact O-CA 3.07Å
514D91.8Very high89.3Confident129 Ų12978.2 Ų78.269%0.6939%0.387SS*.Hα-helixtrans-65.4-36175.6-67.2-22.2000112.2R510 F512R510-D514 VanDerWaalsContact O-CG 3.32Å; R510-D514 PolarHBondContact O-N 3.46Å; F512-D514 VanDerWaalsContact C-N 3.31Å; F512-D514 PolarHBondContact O-N 3.14Å
515K92.2Very high87.1Confident103 Ų10384.3 Ų84.345%0.44842%0.418SS..Hα-helixtrans-78.1-31.5-179.6-171.2-180178.4-154.70112.6W511 F512 A513W511-K515 HydrophobicContact CH2-CD 3.71Å; W511-K515 HydrophobicContact CZ2-CD 4.12Å; W511-K515 HydrophobicContact CZ3-CD 4.01Å; W511-K515 WeakPolarHBondContact O-CB 3.45Å; W511-K515 PolarHBondContact O-N 2.8Å; W511-K515 VanDerWaalsContact O-N 3.09Å; F512-K515 PolarHBondContact O-N 2.96Å; A513-K515 VanDerWaalsContact C-N 3.32Å; A513-K515 PolarHBondContact O-N 3.19Å
516Y92.2Very high86.9Confident50 Ų5085.5 Ų85.520%0.19642%0.422CS..  trans-129.468.7-177.4-55.4-71000110.5M484 F512 A513 D518 V519M484-Y516 HydrophobicContact CB-CE2 3.97Å; M484-Y516 HydrophobicContact CE-CD1 3.93Å; M484-Y516 HydrophobicContact CE-CE1 4.16Å; M484-Y516 HydrophobicContact CE-CG 4.35Å; M484-Y516 HydrophobicContact CG-CD1 4.35Å; M484-Y516 HydrophobicContact CG-CD2 4.35Å; M484-Y516 HydrophobicContact CG-CE1 3.86Å; M484-Y516 HydrophobicContact CG-CE2 3.86Å; M484-Y516 HydrophobicContact SD-CD1 4.35Å; M484-Y516 HydrophobicContact SD-CD2 4.4Å; M484-Y516 HydrophobicContact SD-CE1 4.44Å; M484-Y516 HydrophobicContact SD-CE2 4.49Å; M484-Y516 HydrophobicContact SD-CG 4.33Å; F512-Y516 HydrophobicContact CD1-CD2 4.26Å; F512-Y516 AromaticContact CD2-CD2 3.85Å; F512-Y516 HydrophobicContact CD2-CD2 3.85Å; F512-Y516 HydrophobicContact CD2-CE2 4.05Å; F512-Y516 HydrophobicContact CE1-CD2 4.12Å; F512-Y516 AromaticContact CE2-CD2 3.75Å; F512-Y516 HydrophobicContact CE2-CD2 3.75Å; F512-Y516 AromaticContact CE2-CE2 3.92Å; F512-Y516 HydrophobicContact CE2-CE2 3.92Å; F512-Y516 HydrophobicContact CG-CD2 4.14Å; F512-Y516 AromaticContact CZ-CD2 3.87Å; F512-Y516 HydrophobicContact CZ-CD2 3.87Å; F512-Y516 HydrophobicContact CZ-CE2 4.41Å; F512-Y516 PolarHBondContact O-N 2.97Å; A513-Y516 CarbonylContact O-C 3.19Å; A513-Y516 VanDerWaalsContact O-C 3.31Å; A513-Y516 PolarHBondContact O-N 2.82Å; Y516-D518 PolarHBondContact O-N 3.39Å; Y516-V519 WeakPolarHBondContact O-CB 3.4Å; Y516-V519 PolarHBondContact O-N 2.79Å; Y516-V519 VanDerWaalsContact O-N 3.1Å
517P89.9Confident86.7Confident101 Ų10184.9 Ų84.966%0.65642%0.421SS*.THydrogen-bonded Turntrans-65.6-21.8-172.426.6-35.9000113.9A513 V519A513-P517 VanDerWaalsContact O-CA 3.32Å; A513-P517 WeakPolarHBondContact O-CA 3.07Å; P517-V519 VanDerWaalsContact C-N 3.32Å
518D89.8Confident86.5Confident145 Ų14582.7 Ų82.778%0.77541%0.414SS*.THydrogen-bonded Turntrans-83.9-6.9178.9-56.7-46.3000113.1Q479 Y516Q479-D518 PolarHBondContact NE2-O 3.1Å; Y516-D518 PolarHBondContact O-N 3.39Å
519V90Very high86.1Confident24 Ų2487.4 Ų87.415%0.14544%0.437CS..  trans-90.3123.8-178.2174.60000110.4I475 M484 F512 Y516 P517 L521I475-V519 HydrophobicContact CD1-CG1 3.39Å; I475-V519 HydrophobicContact CG1-CG1 3.78Å; M484-V519 HydrophobicContact CE-CG2 3.91Å; M484-V519 HydrophobicContact SD-CG2 4.36Å; F512-V519 HydrophobicContact CE1-CB 4.48Å; F512-V519 HydrophobicContact CE1-CG1 4.02Å; Y516-V519 WeakPolarHBondContact O-CB 3.4Å; Y516-V519 PolarHBondContact O-N 2.79Å; Y516-V519 VanDerWaalsContact O-N 3.1Å; P517-V519 VanDerWaalsContact C-N 3.32Å; V519-L521 HydrophobicContact CG1-CD2 4.34Å
520E89.1Confident85.7Confident114 Ų11490.8 Ų90.853%0.53345%0.454SS..  trans-89.1124.3176-165.3-174.4-176.100110.6K522E520-K522 WeakPolarHBondContact OE2-CE 3.41Å; E520-K522 IonicContact OE2-NZ 3.38Å
521L89.4Confident85.3Confident42 Ų4285.7 Ų85.722%0.2244%0.442CS..EExtended strand (participates in β ladder)trans-105.2116176.7-70.2-178000110.6R473 W474 F501 F503 M509 F512 V519R473-L521 HydrophobicContact CB-CB 3.95Å; R473-L521 HydrophobicContact CB-CD1 4.39Å; R473-L521 HydrophobicContact CB-CD2 4.03Å; R473-L521 HydrophobicContact CB-CG 4.35Å; R473-L521 HydrophobicContact CG-CB 4.22Å; R473-L521 HydrophobicContact CG-CD1 4.48Å; W474-L521 WeakPolarHBondContact O-CA 3.3Å; F501-L521 HydrophobicContact CD2-CD2 4.44Å; F503-L521 HydrophobicContact CE2-CD1 3.8Å; F503-L521 HydrophobicContact CE2-CD2 4.45Å; F503-L521 HydrophobicContact CZ-CD1 3.76Å; F503-L521 HydrophobicContact CZ-CD2 4.5Å; M509-L521 HydrophobicContact CG-CD1 4.26Å; F512-L521 HydrophobicContact CD1-CD1 3.85Å; F512-L521 HydrophobicContact CD1-CG 4.48Å; F512-L521 HydrophobicContact CE1-CD1 4.19Å; F512-L521 HydrophobicContact CE1-CD2 4.05Å; F512-L521 HydrophobicContact CE1-CG 4.36Å; V519-L521 HydrophobicContact CG1-CD2 4.34Å
522K87.6Confident84.8Confident96 Ų9683.6 Ų83.642%0.41744%0.443SS..EExtended strand (participates in β ladder)trans-99.3148.2-178-61.5176.6-176.3171.80111.4R473 W474 E520R473-K522 CarbonylContact C-O 3.53Å; R473-K522 VanDerWaalsContact CA-O 3.24Å; R473-K522 WeakPolarHBondContact CA-O 3.19Å; R473-K522 WeakPolarHBondContact CD-O 3.46Å; W474-K522 HydrophobicContact CB-CB 4.37Å; W474-K522 PolarHBondContact N-O 2.89Å; W474-K522 PolarHBondContact O-N 2.54Å; E520-K522 WeakPolarHBondContact OE2-CE 3.41Å; E520-K522 IonicContact OE2-NZ 3.38Å
523S78Confident84.2Confident71 Ų7189.9 Ų89.950%0.49748%0.477SS..  trans-115.3150.4170.959.10000110.8
524L66.3Low83.5Confident55 Ų5593.6 Ų93.629%0.28849%0.485SS..  trans-72.2140.9161.5-61.2174.7000108.2T395 W474T395-L524 PolarHBondContact OG1-N 3.18Å; T395-L524 PolarHBondContact OG1-O 2.91Å; W474-L524 HydrophobicContact CE3-CG 4.17Å; W474-L524 HydrophobicContact CH2-CB 4.49Å; W474-L524 HydrophobicContact CH2-CD1 3.24Å; W474-L524 HydrophobicContact CH2-CG 3.51Å; W474-L524 HydrophobicContact CZ2-CD1 3.55Å; W474-L524 HydrophobicContact CZ2-CG 3.94Å; W474-L524 HydrophobicContact CZ3-CB 4.38Å; W474-L524 HydrophobicContact CZ3-CD1 3.92Å; W474-L524 HydrophobicContact CZ3-CG 3.63Å
525M46.3Very low82.8Confident193 Ų19390.4 Ų90.495%0.95147%0.466SS*.  trans-54.50-171.4-90.8-169.6-85.700115.3

Retrieved 525 of 525 residues in 481.6 ms (Link to these results)

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