A0A087YIE8_POEFO Loading...

Delta-aminolevulinic acid dehydratase

Catalyzes an early step in the biosynthesis of tetrapyrroles. Binds two molecules of 5-aminolevulinate per subunit, each at a distinct site, and catalyzes their condensation to form porphobilinogen.

AlphaFold DB , UniProt , Accession A0A087YIE8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 331 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
1M72.8Confident92.5Very high243 Ų243124.7 Ų124.7100%1.19769%0.691SS**  0137.80-75.7175-164.900108
2Q86.3Confident92.9Very high191 Ų191116 Ų11689%0.89365%0.651SS**PPolyproline II helixtrans-69.5139.2171-80.5176.4-15.300109.6
3T88.9Confident93.3Very high102 Ų102115.2 Ų115.263%0.62663%0.633SS**PPolyproline II helixtrans-61132173.6-53.50000109.7A5 V8T3-A5 PolarHBondContact O-N 3.14Å; T3-V8 HydrophobicContact CG2-CG2 4.28Å
4P95.1Very high93.6Very high83 Ų83117.3 Ų117.354%0.53963%0.633SS.*PPolyproline II helixtrans-58.1139176.3-23.633.7000111.5Q6 S7P4-Q6 PolarHBondContact O-N 3.5Å; P4-Q6 VanDerWaalsContact O-N 3.14Å; P4-S7 WeakPolarHBondContact O-CB 3.4Å; P4-S7 PolarHBondContact O-N 2.93Å
5A93.4Very high94Very high87 Ų87115.5 Ų115.572%0.71962%0.619SS**G310 helixtrans-55.1-36.3-178.100000112.9T3 S7 V8T3-A5 PolarHBondContact O-N 3.14Å; A5-S7 PolarHBondContact O-N 3.1Å; A5-V8 PolarHBondContact O-N 3.26Å; A5-V8 VanDerWaalsContact O-N 3.1Å
6Q93.9Very high94.2Very high185 Ų185113.3 Ų113.386%0.86461%0.612SS**G310 helixtrans-65.3-23.3179.2-52-179.116.800113.1P4 V8P4-Q6 PolarHBondContact O-N 3.5Å; P4-Q6 VanDerWaalsContact O-N 3.14Å; Q6-V8 VanDerWaalsContact C-N 3.31Å
7S96.4Very high94.5Very high79 Ų79110.2 Ų110.255%0.55260%0.598SS**G310 helixtrans-83.9-6.6177.8-52.30000112.8P4 A5 L9P4-S7 WeakPolarHBondContact O-CB 3.4Å; P4-S7 PolarHBondContact O-N 2.93Å; A5-S7 PolarHBondContact O-N 3.1Å; S7-L9 PolarHBondContact O-N 3.48Å
8V96.7Very high94.7Very high73 Ų73106.1 Ų106.144%0.44258%0.576SS.*  trans-94.496.8-178.5-176.60000110T3 A5 Q6 S11T3-V8 HydrophobicContact CG2-CG2 4.28Å; A5-V8 PolarHBondContact O-N 3.26Å; A5-V8 VanDerWaalsContact O-N 3.1Å; Q6-V8 VanDerWaalsContact C-N 3.31Å; V8-S11 PolarHBondContact O-OG 3.42Å
9L97.9Very high94.9Very high121 Ų121106.8 Ų106.863%0.63457%0.569SS**  trans-95.1-21.5-179.8-58.9-178.8000113.8S7 S11 G12 Y13S7-L9 PolarHBondContact O-N 3.48Å; L9-S11 PolarHBondContact O-N 2.91Å; L9-S11 VanDerWaalsContact O-N 3.08Å; L9-G12 PolarHBondContact O-N 3.08Å; L9-Y13 HydrophobicContact CB-CE1 4.17Å; L9-Y13 VanDerWaalsContact O-CD1 3.27Å; L9-Y13 WeakPolarHBondContact O-CD1 3.22Å; L9-Y13 WeakPolarHBondContact O-CE1 3.27Å
10H98.3Very high95Very high133 Ų133107 Ų10762%0.61656%0.562SS**G310 helixtrans-57.7-28.4-175.5-68.2-173.8000113.3G12 Y13 F14H10-G12 PolarHBondContact O-N 3.34Å; H10-Y13 AromaticContact CD2-CZ 3.67Å; H10-Y13 PolarHBondContact CD2-OH 3.44Å; H10-Y13 PolarHBondContact NE2-OH 2.95Å; H10-Y13 PolarHBondContact O-N 3.2Å; H10-F14 WeakPolarHBondContact O-CD1 3.48Å; H10-F14 PolarHBondContact O-N 3.3Å
11S97.4Very high95.2Very high75 Ų75109.9 Ų109.952%0.52457%0.566SS.*G310 helixtrans-59.9-22.717554.20000113.2V8 L9 F14V8-S11 PolarHBondContact O-OG 3.42Å; L9-S11 PolarHBondContact O-N 2.91Å; L9-S11 VanDerWaalsContact O-N 3.08Å; S11-F14 WeakPolarHBondContact O-CD1 3.29Å; S11-F14 VanDerWaalsContact O-CE1 3.29Å; S11-F14 WeakPolarHBondContact O-CE1 3.42Å
12G97.9Very high96.4Very high20 Ų20105.1 Ų105.121%0.20654%0.54CS..G310 helixtrans-88-6.6-177.700000115.8L9 H10 Q22L9-G12 PolarHBondContact O-N 3.08Å; H10-G12 PolarHBondContact O-N 3.34Å; G12-Q22 PolarHBondContact O-NE2 3.4Å
13Y98.1Very high96.9Very high106 Ų10698.7 Ų98.742%0.41652%0.517SS..THydrogen-bonded Turntrans-152.711.8-171.763.4-97000116.1L9 H10 H15 R19L9-Y13 HydrophobicContact CB-CE1 4.17Å; L9-Y13 VanDerWaalsContact O-CD1 3.27Å; L9-Y13 WeakPolarHBondContact O-CD1 3.22Å; L9-Y13 WeakPolarHBondContact O-CE1 3.27Å; H10-Y13 AromaticContact CD2-CZ 3.67Å; H10-Y13 PolarHBondContact CD2-OH 3.44Å; H10-Y13 PolarHBondContact NE2-OH 2.95Å; H10-Y13 PolarHBondContact O-N 3.2Å; Y13-H15 VanDerWaalsContact C-N 3.34Å; Y13-H15 PolarHBondContact O-N 2.92Å; Y13-R19 WeakPolarHBondContact O-CG 3.09Å; Y13-R19 PolarHBondContact O-NH1 2.96Å
14F98.1Very high97.2Very high144 Ų14496.4 Ų96.463%0.63250%0.504SS*.SBendtrans-68.7-30.518068.2-90.5000113.4H10 S11 L18 R19H10-F14 WeakPolarHBondContact O-CD1 3.48Å; H10-F14 PolarHBondContact O-N 3.3Å; S11-F14 WeakPolarHBondContact O-CD1 3.29Å; S11-F14 VanDerWaalsContact O-CE1 3.29Å; S11-F14 WeakPolarHBondContact O-CE1 3.42Å; F14-L18 HydrophobicContact CD1-CD1 3.78Å; F14-L18 HydrophobicContact CE1-CD1 3.39Å; F14-L18 HydrophobicContact CE2-CD1 4.4Å; F14-L18 HydrophobicContact CG-CD1 4.44Å; F14-L18 HydrophobicContact CZ-CD1 3.74Å; F14-R19 VanDerWaalsContact C-NH1 3.34Å; F14-R19 PolarHBondContact O-NH1 3.45Å
15H98.6Very high97.2Very high91 Ų9196.6 Ų96.642%0.42151%0.513SS..SBendtrans-95.9144.2178.9-170.4-92.8000111.5Y13 T17 L18 R19Y13-H15 VanDerWaalsContact C-N 3.34Å; Y13-H15 PolarHBondContact O-N 2.92Å; H15-T17 VanDerWaalsContact C-N 3.31Å; H15-T17 PolarHBondContact CE1-OG1 3.01Å; H15-T17 WeakPolarHBondContact ND1-CB 3.36Å; H15-T17 PolarHBondContact ND1-N 3.47Å; H15-T17 VanDerWaalsContact ND1-N 3.16Å; H15-T17 PolarHBondContact ND1-OG1 3.22Å; H15-T17 PolarHBondContact O-N 3.33Å; H15-L18 HydrophobicContact CB-CB 4.27Å; H15-L18 HydrophobicContact CB-CD1 3.91Å; H15-L18 HydrophobicContact CB-CG 3.96Å; H15-L18 WeakPolarHBondContact O-CB 3.42Å; H15-L18 PolarHBondContact O-N 3.21Å; H15-R19 PolarHBondContact O-N 3.23Å
16P98Very high97.3Very high79 Ų7993.1 Ų93.151%0.51348%0.484SS..Hα-helixtrans-50.4-45.2177.1-27.332.8000114.3L18 R19 Y20P16-L18 VanDerWaalsContact C-N 3.33Å; P16-L18 PolarHBondContact O-N 3.41Å; P16-R19 WeakPolarHBondContact O-CB 3.39Å; P16-R19 PolarHBondContact O-N 3.21Å; P16-Y20 PolarHBondContact O-N 3.44Å
17T98.3Very high97.4Very high61 Ų6187.2 Ų87.237%0.37446%0.459SS..Hα-helixtrans-62.1-38.1176.1-48.70000112.8H15 Y20 W21H15-T17 VanDerWaalsContact C-N 3.31Å; H15-T17 PolarHBondContact CE1-OG1 3.01Å; H15-T17 WeakPolarHBondContact ND1-CB 3.36Å; H15-T17 PolarHBondContact ND1-N 3.47Å; H15-T17 VanDerWaalsContact ND1-N 3.16Å; H15-T17 PolarHBondContact ND1-OG1 3.22Å; H15-T17 PolarHBondContact O-N 3.33Å; T17-Y20 PolarHBondContact O-N 3.21Å; T17-W21 HydrophobicContact CG2-CD2 4.2Å; T17-W21 HydrophobicContact CG2-CH2 4.43Å; T17-W21 HydrophobicContact CG2-CZ2 3.67Å; T17-W21 VanDerWaalsContact O-CG 3.32Å; T17-W21 PolarHBondContact O-N 3.31Å
18L98.6Very high97.4Very high37 Ų3784.8 Ų84.819%0.19444%0.439CS..Hα-helixtrans-66.6-40.4176.8-67.2176.6000110.8F14 H15 P16 Y20 W21 Q22F14-L18 HydrophobicContact CD1-CD1 3.78Å; F14-L18 HydrophobicContact CE1-CD1 3.39Å; F14-L18 HydrophobicContact CE2-CD1 4.4Å; F14-L18 HydrophobicContact CG-CD1 4.44Å; F14-L18 HydrophobicContact CZ-CD1 3.74Å; H15-L18 HydrophobicContact CB-CB 4.27Å; H15-L18 HydrophobicContact CB-CD1 3.91Å; H15-L18 HydrophobicContact CB-CG 3.96Å; H15-L18 WeakPolarHBondContact O-CB 3.42Å; H15-L18 PolarHBondContact O-N 3.21Å; P16-L18 VanDerWaalsContact C-N 3.33Å; P16-L18 PolarHBondContact O-N 3.41Å; L18-Y20 VanDerWaalsContact C-N 3.34Å; L18-Y20 PolarHBondContact O-N 2.98Å; L18-W21 HydrophobicContact CD2-CE3 3.66Å; L18-W21 HydrophobicContact CD2-CZ3 3.73Å; L18-W21 PolarHBondContact O-N 3.16Å; L18-Q22 WeakPolarHBondContact O-CG 3.46Å; L18-Q22 PolarHBondContact O-N 3.26Å
19R98.3Very high97.4Very high119 Ų11988.7 Ų88.745%0.44945%0.446SS..Hα-helixtrans-58.9-45.8172.1-69.6-170.5-71.2-82.88.9111.7Y13 F14 H15 P16 Q22 S23Y13-R19 WeakPolarHBondContact O-CG 3.09Å; Y13-R19 PolarHBondContact O-NH1 2.96Å; F14-R19 VanDerWaalsContact C-NH1 3.34Å; F14-R19 PolarHBondContact O-NH1 3.45Å; H15-R19 PolarHBondContact O-N 3.23Å; P16-R19 WeakPolarHBondContact O-CB 3.39Å; P16-R19 PolarHBondContact O-N 3.21Å; R19-Q22 PolarHBondContact O-N 3.2Å; R19-S23 PolarHBondContact O-N 2.92Å; R19-S23 PolarHBondContact O-OG 3.3Å
20Y97.3Very high97.4Very high110 Ų11084.8 Ų84.843%0.43143%0.428SS..Hα-helixtrans-60-45.9176.8174.9-105.3000112.2P16 T17 L18 Q22 S23 C24 D27P16-Y20 PolarHBondContact O-N 3.44Å; T17-Y20 PolarHBondContact O-N 3.21Å; L18-Y20 VanDerWaalsContact C-N 3.34Å; L18-Y20 PolarHBondContact O-N 2.98Å; Y20-Q22 PolarHBondContact O-N 3.21Å; Y20-S23 CarbonylContact O-C 3.6Å; Y20-S23 PolarHBondContact O-N 2.8Å; Y20-S23 PolarHBondContact O-OG 2.98Å; Y20-C24 HydrophobicContact CD1-CB 4.42Å; Y20-C24 HydrophobicContact CD2-CB 4.4Å; Y20-C24 HydrophobicContact CE1-CB 3.89Å; Y20-C24 HydrophobicContact CE2-CB 3.87Å; Y20-C24 WeakPolarHBondContact O-CB 3.49Å; Y20-C24 PolarHBondContact O-N 2.92Å; Y20-D27 VanDerWaalsContact CE2-OD1 3.29Å; Y20-D27 WeakPolarHBondContact CE2-OD1 3.29Å; Y20-D27 VanDerWaalsContact CE2-OD2 3.25Å; Y20-D27 WeakPolarHBondContact CE2-OD2 3.21Å; Y20-D27 PolarHBondContact OH-OD2 2.63Å
21W98.2Very high97.4Very high169 Ų16982.4 Ų82.464%0.6442%0.42SS*.Hα-helixtrans-60.3-29.2177.6-67.3-13.5000113.5T17 L18 S23T17-W21 HydrophobicContact CG2-CD2 4.2Å; T17-W21 HydrophobicContact CG2-CH2 4.43Å; T17-W21 HydrophobicContact CG2-CZ2 3.67Å; T17-W21 VanDerWaalsContact O-CG 3.32Å; T17-W21 PolarHBondContact O-N 3.31Å; L18-W21 HydrophobicContact CD2-CE3 3.66Å; L18-W21 HydrophobicContact CD2-CZ3 3.73Å; L18-W21 PolarHBondContact O-N 3.16Å; W21-S23 VanDerWaalsContact C-N 3.32Å
22Q97.9Very high97.4Very high142 Ų14279.4 Ų79.466%0.66440%0.399SS*.Hα-helixtrans-75.9-19.1174.3-62.6-67.1-500113.2G12 L18 R19 Y20G12-Q22 PolarHBondContact O-NE2 3.4Å; L18-Q22 WeakPolarHBondContact O-CG 3.46Å; L18-Q22 PolarHBondContact O-N 3.26Å; R19-Q22 PolarHBondContact O-N 3.2Å; Y20-Q22 PolarHBondContact O-N 3.21Å
23S96.9Very high97.4Very high56 Ų5678.5 Ų78.539%0.39239%0.389SS..Hα-helixtrans-124.5-1.1-170.669.80000115.1R19 Y20 W21 A25 A26R19-S23 PolarHBondContact O-N 2.92Å; R19-S23 PolarHBondContact O-OG 3.3Å; Y20-S23 CarbonylContact O-C 3.6Å; Y20-S23 PolarHBondContact O-N 2.8Å; Y20-S23 PolarHBondContact O-OG 2.98Å; W21-S23 VanDerWaalsContact C-N 3.32Å; S23-A25 PolarHBondContact O-N 2.67Å; S23-A25 VanDerWaalsContact O-N 3.1Å; S23-A26 WeakPolarHBondContact O-CA 3.41Å; S23-A26 WeakPolarHBondContact O-CB 3.23Å; S23-A26 PolarHBondContact O-N 2.75Å
24C96.3Very high97.5Very high54 Ų5473.9 Ų73.937%0.36537%0.371SS..G310 helixtrans-62-22.8-172.461.80000113.9Y20 A26 D27Y20-C24 HydrophobicContact CD1-CB 4.42Å; Y20-C24 HydrophobicContact CD2-CB 4.4Å; Y20-C24 HydrophobicContact CE1-CB 3.89Å; Y20-C24 HydrophobicContact CE2-CB 3.87Å; Y20-C24 WeakPolarHBondContact O-CB 3.49Å; Y20-C24 PolarHBondContact O-N 2.92Å; C24-A26 PolarHBondContact O-N 2.94Å; C24-D27 WeakPolarHBondContact O-CB 3.39Å; C24-D27 VanDerWaalsContact O-CG 3.24Å; C24-D27 PolarHBondContact O-N 3.15Å; C24-D27 VanDerWaalsContact O-N 3.14Å
25A94.1Very high97.5Very high87 Ų8767.5 Ų67.572%0.71934%0.343SS*.G310 helixtrans-62-21.4170.600000113S23S23-A25 PolarHBondContact O-N 2.67Å; S23-A25 VanDerWaalsContact O-N 3.1Å
26A96.1Very high97.5Very high14 Ų1463.1 Ų63.112%0.11632%0.323CS..G310 helixtrans-94.98.1178.300000113.7S23 C24 L28 T307 R310 R311S23-A26 WeakPolarHBondContact O-CA 3.41Å; S23-A26 WeakPolarHBondContact O-CB 3.23Å; S23-A26 PolarHBondContact O-N 2.75Å; C24-A26 PolarHBondContact O-N 2.94Å; A26-L28 PolarHBondContact O-N 2.88Å; A26-T307 HydrophobicContact CB-CG2 4.13Å; A26-R310 HydrophobicContact CB-CB 3.96Å; A26-R310 WeakPolarHBondContact O-CB 3.2Å; A26-R311 HydrophobicContact CB-CB 4.43Å
27D95.3Very high97.6Very high62 Ų6259.5 Ų59.533%0.33230%0.299SS..  trans-56.9138.1179.4-78.1-1.1000111.3Y20 C24 R310Y20-D27 VanDerWaalsContact CE2-OD1 3.29Å; Y20-D27 WeakPolarHBondContact CE2-OD1 3.29Å; Y20-D27 VanDerWaalsContact CE2-OD2 3.25Å; Y20-D27 WeakPolarHBondContact CE2-OD2 3.21Å; Y20-D27 PolarHBondContact OH-OD2 2.63Å; C24-D27 WeakPolarHBondContact O-CB 3.39Å; C24-D27 VanDerWaalsContact O-CG 3.24Å; C24-D27 PolarHBondContact O-N 3.15Å; C24-D27 VanDerWaalsContact O-N 3.14Å; D27-R310 PolarHBondContact O-NE 3.49Å; D27-R310 PolarHBondContact O-NH2 3.35Å; D27-R310 VanDerWaalsContact O-NH2 3.17Å
28L96.8Very high97.6Very high28 Ų2856.6 Ų56.615%0.14728%0.282CS..  trans-105.1135.3178.5-17268.4000109.7A26 L33 M306 R310 I317 L325 L329A26-L28 PolarHBondContact O-N 2.88Å; L28-L33 HydrophobicContact CD1-CD2 4.14Å; L28-M306 HydrophobicContact CD1-CB 4.48Å; L28-M306 HydrophobicContact CD2-CB 3.74Å; L28-M306 HydrophobicContact CD2-CG 3.86Å; L28-R310 HydrophobicContact CD1-CG 4.26Å; L28-I317 HydrophobicContact CD1-CD1 3.73Å; L28-L325 HydrophobicContact CD2-CD2 4.04Å; L28-L329 HydrophobicContact CB-CD2 4.24Å; L28-L329 HydrophobicContact CD2-CD1 4.21Å; L28-L329 HydrophobicContact CD2-CD2 4.19Å; L28-L329 HydrophobicContact CG-CD1 4.26Å; L28-L329 HydrophobicContact CG-CD2 4.34Å
29R96.9Very high97.6Very high155 Ų15554.9 Ų54.959%0.58527%0.272SS*.  trans-128.1156.6175.4-68.4174.352.9136.60.8109.8D31 S32R29-D31 IonicContact CZ-OD2 2.63Å; R29-D31 IonicContact NE-OD2 2.66Å; R29-D31 PolarHBondContact NE-OD2 3.5Å; R29-D31 VanDerWaalsContact NE-OD2 3.11Å; R29-D31 IonicContact NH2-OD2 2.77Å; R29-D31 PolarHBondContact NH2-OD2 3.41Å; R29-D31 PolarHBondContact O-N 3.48Å; R29-D31 VanDerWaalsContact O-N 3.13Å; R29-S32 WeakPolarHBondContact O-CB 3.38Å; R29-S32 PolarHBondContact O-N 3.45Å
30P97.6Very high97.5Very high39 Ų3949.4 Ų49.425%0.25325%0.252SS..G310 helixtrans-52-33.7170.9-28.737.1000113.3S32 L33 G74 L326 L329P30-S32 PolarHBondContact O-N 3.01Å; P30-L33 PolarHBondContact O-N 3.17Å; P30-G74 WeakPolarHBondContact CB-O 3.35Å; P30-L326 HydrophobicContact CB-CD2 3.76Å; P30-L326 HydrophobicContact CG-CD2 4.26Å; P30-L329 HydrophobicContact CG-CD1 4.33Å
31D98.1Very high97.3Very high83 Ų8345.4 Ų45.444%0.44424%0.239SC..G310 helixtrans-62.4-22.1177-50-76.9000113.8R29 L33 K76R29-D31 IonicContact CZ-OD2 2.63Å; R29-D31 IonicContact NE-OD2 2.66Å; R29-D31 PolarHBondContact NE-OD2 3.5Å; R29-D31 VanDerWaalsContact NE-OD2 3.11Å; R29-D31 IonicContact NH2-OD2 2.77Å; R29-D31 PolarHBondContact NH2-OD2 3.41Å; R29-D31 PolarHBondContact O-N 3.48Å; R29-D31 VanDerWaalsContact O-N 3.13Å; D31-L33 VanDerWaalsContact C-N 3.32Å; D31-K76 WeakPolarHBondContact OD1-CE 3.47Å
32S98.1Very high97.2Very high12 Ų1239.2 Ų39.28%0.08422%0.221CC..G310 helixtrans-82.6-7.1176.7-61.10000113R29 P30 D315 I316 I317R29-S32 WeakPolarHBondContact O-CB 3.38Å; R29-S32 PolarHBondContact O-N 3.45Å; P30-S32 PolarHBondContact O-N 3.01Å; S32-D315 PolarHBondContact OG-O 3.04Å; S32-I316 CarbonylContact O-C 3.59Å; S32-I316 WeakPolarHBondContact O-CA 3.27Å; S32-I317 PolarHBondContact O-N 3.02Å
33L98.9Very high97.1Very high1 Ų135 Ų351%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-102.2134-171.2-57.6176.6000112.1L28 P30 D31 I317 T319 T322 L325 L326 L329L28-L33 HydrophobicContact CD1-CD2 4.14Å; P30-L33 PolarHBondContact O-N 3.17Å; D31-L33 VanDerWaalsContact C-N 3.32Å; L33-I317 WeakPolarHBondContact CA-O 3.47Å; L33-I317 HydrophobicContact CD2-CB 4.39Å; L33-T319 HydrophobicContact CD2-CG2 4.31Å; L33-T322 HydrophobicContact CB-CG2 3.96Å; L33-T322 HydrophobicContact CD1-CG2 4.21Å; L33-L325 HydrophobicContact CD1-CB 3.77Å; L33-L325 HydrophobicContact CD1-CD1 4.29Å; L33-L325 HydrophobicContact CD2-CD1 3.95Å; L33-L326 HydrophobicContact CD1-CD2 4.36Å; L33-L329 HydrophobicContact CD1-CD1 4.23Å
34I98.9Very high97.1Very high8 Ų837.2 Ų37.24%0.04121%0.213CC..EExtended strand (participates in β ladder)trans-118.2125.3167.5-58.4-172.9000108.5P36 C77 L79 L196 I316 I317 I318 T319I34-P36 WeakPolarHBondContact O-CD 3.29Å; I34-C77 WeakPolarHBondContact CA-O 3.25Å; I34-C77 HydrophobicContact CB-CB 4.46Å; I34-C77 HydrophobicContact CG1-CB 3.9Å; I34-C77 HydrophobicContact CG2-CB 4.47Å; I34-L79 HydrophobicContact CG2-CB 3.67Å; I34-L196 HydrophobicContact CD1-CD2 4.5Å; I34-I316 HydrophobicContact CD1-CG2 3.4Å; I34-I316 VanDerWaalsContact CD1-CG2 3.4Å; I34-I316 HydrophobicContact CG1-CG2 3.67Å; I34-I317 PolarHBondContact N-O 3.31Å; I34-I318 HydrophobicContact CB-CB 4.44Å; I34-I318 HydrophobicContact CB-CG1 3.82Å; I34-I318 HydrophobicContact CD1-CG1 4.12Å; I34-I318 HydrophobicContact CG1-CG1 4.35Å; I34-I318 HydrophobicContact CG2-CG1 4.14Å; I34-I318 WeakPolarHBondContact O-CA 3.47Å; I34-T319 PolarHBondContact O-N 2.95Å
35Y98.9Very high97.2Very high10 Ų1035.2 Ų35.24%0.03920%0.201CC..EExtended strand (participates in β ladder)trans-93.6117.5178.4-175.6-138000112I37 Q55 L66 L70 C77 V78 L79 T322 P323Y35-I37 HydrophobicContact CD1-CG2 3.58Å; Y35-I37 HydrophobicContact CE1-CG2 3.64Å; Y35-I37 HydrophobicContact CG-CG2 4.37Å; Y35-Q55 PolarHBondContact OH-NE2 3.14Å; Y35-Q55 PolarHBondContact OH-OE1 3.2Å; Y35-Q55 VanDerWaalsContact OH-OE1 3.1Å; Y35-L66 HydrophobicContact CE1-CD1 4.48Å; Y35-L70 HydrophobicContact CD1-CD1 3.84Å; Y35-L70 HydrophobicContact CE1-CD1 3.69Å; Y35-C77 PolarHBondContact N-O 3.42Å; Y35-V78 CarbonylContact O-C 3.41Å; Y35-V78 VanDerWaalsContact O-CA 3.26Å; Y35-V78 WeakPolarHBondContact O-CA 3.33Å; Y35-L79 PolarHBondContact O-N 3.12Å; Y35-T322 HydrophobicContact CG-CG2 4.49Å; Y35-P323 HydrophobicContact CD2-CG 4.37Å; Y35-P323 HydrophobicContact CE1-CG 4.34Å; Y35-P323 HydrophobicContact CE2-CG 3.85Å
36P98.8Very high97.4Very high0 Ų034.9 Ų34.90%019%0.189CC..EExtended strand (participates in β ladder)trans-66.8132.8170.8-20.634.5000111.7I34 L79 F81 Y278 I318 T319 Y320I34-P36 WeakPolarHBondContact O-CD 3.29Å; P36-L79 WeakPolarHBondContact CA-O 3.47Å; P36-F81 HydrophobicContact CB-CD2 4.45Å; P36-F81 HydrophobicContact CB-CE2 4.03Å; P36-Y278 HydrophobicContact CG-CE1 4.35Å; P36-Y278 WeakPolarHBondContact CG-OH 3.23Å; P36-I318 HydrophobicContact CG-CG2 3.56Å; P36-T319 VanDerWaalsContact CD-O 3.31Å; P36-T319 WeakPolarHBondContact CD-O 3.46Å; P36-Y320 HydrophobicContact CB-CD1 3.94Å; P36-Y320 HydrophobicContact CB-CE1 3.54Å; P36-Y320 HydrophobicContact CG-CD1 3.91Å; P36-Y320 HydrophobicContact CG-CE1 3.72Å
37I98.8Very high97.4Very high3 Ų336.9 Ų36.92%0.01520%0.196CC..EExtended strand (participates in β ladder)trans-128.9141.7172.763.2179.8000111Y35 I39 L66 L67 V78 L79 I80 F81 I110Y35-I37 HydrophobicContact CD1-CG2 3.58Å; Y35-I37 HydrophobicContact CE1-CG2 3.64Å; Y35-I37 HydrophobicContact CG-CG2 4.37Å; I37-I39 HydrophobicContact CD1-CD1 4.16Å; I37-I39 HydrophobicContact CG1-CD1 4.27Å; I37-L66 HydrophobicContact CG2-CD2 4.06Å; I37-L67 HydrophobicContact CD1-CD1 4.37Å; I37-L67 HydrophobicContact CG2-CD2 4.36Å; I37-V78 HydrophobicContact CD1-CB 4.07Å; I37-V78 HydrophobicContact CD1-CG1 4.35Å; I37-V78 HydrophobicContact CD1-CG2 4.24Å; I37-V78 HydrophobicContact CG1-CB 4.46Å; I37-L79 PolarHBondContact N-O 3.03Å; I37-I80 HydrophobicContact CD1-CG1 3.99Å; I37-I80 HydrophobicContact CG1-CG1 4.06Å; I37-F81 PolarHBondContact O-N 2.72Å; I37-I110 HydrophobicContact CD1-CD1 3.87Å
38F98.6Very high97.5Very high0 Ų038.9 Ų38.90%021%0.213CC..EExtended strand (participates in β ladder)trans-109.5119.4-178.7-58-86000109.9I49 L52 R57 F58 F81 V83 F210 A213 Y320F38-I49 HydrophobicContact CD2-CD1 3.86Å; F38-I49 HydrophobicContact CE2-CD1 4.13Å; F38-I49 HydrophobicContact CG-CD1 4.37Å; F38-L52 HydrophobicContact CE2-CD2 4.19Å; F38-R57 HydrophobicContact CB-CB 4.36Å; F38-R57 HydrophobicContact CB-CG 3.88Å; F38-R57 WeakPolarHBondContact O-CA 3.4Å; F38-F58 PolarHBondContact O-N 3.1Å; F38-F81 WeakPolarHBondContact CA-O 3.45Å; F38-F81 HydrophobicContact CD1-CB 3.83Å; F38-F81 HydrophobicContact CD1-CG 4.32Å; F38-F81 HydrophobicContact CE1-CB 4.25Å; F38-F81 HydrophobicContact CE1-CD2 4.3Å; F38-F81 HydrophobicContact CE1-CG 4.26Å; F38-V83 HydrophobicContact CB-CG2 4.07Å; F38-V83 HydrophobicContact CD1-CG2 4.21Å; F38-F210 AromaticContact CE1-CD2 3.93Å; F38-F210 HydrophobicContact CE1-CD2 3.93Å; F38-F210 AromaticContact CE1-CE2 3.7Å; F38-F210 HydrophobicContact CE1-CE2 3.7Å; F38-F210 HydrophobicContact CZ-CD2 4.03Å; F38-F210 HydrophobicContact CZ-CE2 4.14Å; F38-A213 HydrophobicContact CD1-CB 4.05Å; F38-A213 HydrophobicContact CE1-CB 3.6Å; F38-A213 HydrophobicContact CE2-CB 4.14Å; F38-A213 HydrophobicContact CG-CB 4.5Å; F38-A213 HydrophobicContact CZ-CB 3.65Å; F38-Y320 HydrophobicContact CE2-CD1 4.49Å; F38-Y320 AromaticContact CE2-CE1 3.81Å; F38-Y320 HydrophobicContact CE2-CE1 3.81Å; F38-Y320 AromaticContact CZ-CE1 3.83Å; F38-Y320 HydrophobicContact CZ-CE1 3.83Å
39I98.3Very high97.6Very high0 Ų038 Ų380%021%0.208CC..EExtended strand (participates in β ladder)trans-111.9123.8-175.1-48-61.8000110.1I37 F58 V63 I80 F81 V83 P102 A106I37-I39 HydrophobicContact CD1-CD1 4.16Å; I37-I39 HydrophobicContact CG1-CD1 4.27Å; I39-F58 CarbonylContact C-O 3.54Å; I39-F58 VanDerWaalsContact CA-O 3.24Å; I39-F58 WeakPolarHBondContact CA-O 3.42Å; I39-V63 HydrophobicContact CD1-CG2 3.88Å; I39-I80 HydrophobicContact CG1-CG2 4.06Å; I39-F81 PolarHBondContact N-O 3.01Å; I39-V83 PolarHBondContact O-N 3.42Å; I39-P102 HydrophobicContact CB-CB 4.12Å; I39-P102 HydrophobicContact CG2-CB 3.87Å; I39-P102 WeakPolarHBondContact CG2-O 3.31Å; I39-P102 WeakPolarHBondContact O-CB 3.46Å; I39-A106 HydrophobicContact CB-CB 4.34Å; I39-A106 HydrophobicContact CD1-CB 4.33Å; I39-A106 HydrophobicContact CG1-CB 3.75Å; I39-A106 HydrophobicContact CG2-CB 4.09Å
40T96.7Very high97.5Very high4 Ų434.2 Ų34.23%0.02522%0.218CC..EExtended strand (participates in β ladder)trans-99163.8177.4179.30000111.8S42 A45 R57 F58 V83T40-S42 PolarHBondContact O-N 3.26Å; T40-A45 HydrophobicContact CG2-CB 3.8Å; T40-R57 HydrophobicContact CG2-CB 4.46Å; T40-F58 WeakPolarHBondContact CG2-O 3.24Å; T40-F58 PolarHBondContact N-O 2.77Å; T40-V83 WeakPolarHBondContact CA-O 3.32Å
41D93.5Very high97.4Very high27 Ų2734.1 Ų34.114%0.14422%0.218CC..SBendtrans-86.414.1174.354.526000113.4P43 P84 A85 K86 I87 P102D41-P43 WeakPolarHBondContact O-CD 3.46Å; D41-P84 WeakPolarHBondContact OD2-CA 3.39Å; D41-A85 PolarHBondContact OD1-N 2.84Å; D41-A85 PolarHBondContact OD2-N 3.46Å; D41-K86 PolarHBondContact O-NZ 3.17Å; D41-K86 VanDerWaalsContact O-NZ 3.12Å; D41-K86 WeakPolarHBondContact OD1-CG 3.39Å; D41-K86 PolarHBondContact OD1-N 3.46Å; D41-K86 WeakPolarHBondContact OD2-CA 3.38Å; D41-K86 WeakPolarHBondContact OD2-CB 3.4Å; D41-K86 PolarHBondContact OD2-N 2.9Å; D41-I87 PolarHBondContact OD2-N 2.99Å; D41-P102 HydrophobicContact CB-CG 3.82Å
42S96Very high97.3Very high38 Ų3830.1 Ų30.127%0.26620%0.197SC..SBendtrans-99.5102.6164.9-168.90000109.2T40 D44 A45 G59T40-S42 PolarHBondContact O-N 3.26Å; S42-D44 VanDerWaalsContact C-N 3.28Å; S42-D44 PolarHBondContact O-N 3.5Å; S42-D44 VanDerWaalsContact O-N 3.12Å; S42-A45 WeakPolarHBondContact O-CB 3.31Å; S42-A45 PolarHBondContact O-N 3.37Å; S42-A45 VanDerWaalsContact O-N 3.1Å; S42-G59 WeakPolarHBondContact O-CA 3.35Å
43P95.9Very high97.2Very high55 Ų5530.9 Ų30.936%0.35720%0.201SC..THydrogen-bonded Turntrans-57.9-32.9-164.2-2936.3000115.7D41 G59 V60 N61D41-P43 WeakPolarHBondContact O-CD 3.46Å; P43-G59 CarbonylContact O-C 3.09Å; P43-G59 WeakPolarHBondContact O-CA 3.34Å; P43-V60 HydrophobicContact CB-CG1 4.3Å; P43-V60 PolarHBondContact O-N 2.91Å; P43-N61 WeakPolarHBondContact CB-ND2 3.48Å; P43-N61 WeakPolarHBondContact O-CB 3.41Å; P43-N61 PolarHBondContact O-N 3.46Å
44D97.6Very high97.1Very high101 Ų10134.4 Ų34.454%0.5424%0.237SC..THydrogen-bonded Turntrans-104.46-176.8-57.7-63.5000113.6S42 N61S42-D44 VanDerWaalsContact C-N 3.28Å; S42-D44 PolarHBondContact O-N 3.5Å; S42-D44 VanDerWaalsContact O-N 3.12Å; D44-N61 WeakPolarHBondContact OD1-CB 3.23Å; D44-N61 PolarHBondContact OD1-ND2 3.04Å
45A97.2Very high97.1Very high12 Ų1234.4 Ų34.410%0.09924%0.237CC..  trans-70145.3-173.900000113T40 S42 E47 F58 G59T40-A45 HydrophobicContact CG2-CB 3.8Å; S42-A45 WeakPolarHBondContact O-CB 3.31Å; S42-A45 PolarHBondContact O-N 3.37Å; S42-A45 VanDerWaalsContact O-N 3.1Å; A45-E47 HydrophobicContact CB-CG 4.2Å; A45-F58 CarbonylContact O-C 3.55Å; A45-F58 WeakPolarHBondContact O-CA 3.45Å; A45-G59 PolarHBondContact O-N 3.43Å
46V97.9Very high97Very high80 Ų8034.4 Ų34.449%0.48524%0.239SC..EExtended strand (participates in β ladder)trans-134.8100.2163.2-176.80000106P48 A56 R57 F58 K62V46-P48 WeakPolarHBondContact O-CD 3.25Å; V46-A56 HydrophobicContact CG1-CB 4.29Å; V46-R57 WeakPolarHBondContact CA-O 3.33Å; V46-F58 HydrophobicContact CG1-CD1 4.25Å; V46-F58 HydrophobicContact CG1-CE1 3.85Å; V46-F58 HydrophobicContact CG2-CD1 4.16Å; V46-F58 HydrophobicContact CG2-CE1 4.38Å; V46-K62 HydrophobicContact CG2-CB 4.29Å; V46-K62 HydrophobicContact CG2-CD 4.35Å; V46-K62 HydrophobicContact CG2-CG 3.85Å
47E97.5Very high97Very high56 Ų5636.3 Ų36.326%0.26225%0.246SC..EExtended strand (participates in β ladder)trans-113.4100.1-172.5-65.4169.1-163.400109.8A45 A56 R57A45-E47 HydrophobicContact CB-CG 4.2Å; E47-A56 CarbonylContact O-C 3.58Å; E47-A56 VanDerWaalsContact O-CA 3.24Å; E47-A56 WeakPolarHBondContact O-CA 3.28Å; E47-A56 WeakPolarHBondContact O-CB 3.23Å; E47-R57 HydrophobicContact CB-CB 4.21Å; E47-R57 PolarHBondContact N-O 2.62Å; E47-R57 PolarHBondContact O-N 2.83Å; E47-R57 IonicContact OE2-CZ 3.46Å; E47-R57 IonicContact OE2-NE 3.11Å; E47-R57 PolarHBondContact OE2-NE 3.34Å; E47-R57 IonicContact OE2-NH1 2.63Å; E47-R57 PolarHBondContact OE2-NH1 3.42Å; E47-R57 IonicContact OE2-NH2 2.89Å; E47-R57 PolarHBondContact OE2-NH2 3.17Å
48P97.6Very high97Very high105 Ų10537.6 Ų37.668%0.68225%0.252SS*.EExtended strand (participates in β ladder)trans-55.2141.1177.6-25.834.7000112.4V46V46-P48 WeakPolarHBondContact O-CD 3.25Å
49I97.4Very high97Very high8 Ų837.6 Ų37.64%0.04125%0.252CS..  trans-100100.9176.3-58.9157000107.5F38 S51 L52 Q55 R57 A213F38-I49 HydrophobicContact CD2-CD1 3.86Å; F38-I49 HydrophobicContact CE2-CD1 4.13Å; F38-I49 HydrophobicContact CG-CD1 4.37Å; I49-S51 PolarHBondContact O-N 2.92Å; I49-S51 VanDerWaalsContact O-N 3.16Å; I49-L52 HydrophobicContact CB-CB 4.15Å; I49-L52 HydrophobicContact CG2-CB 3.75Å; I49-L52 CarbonylContact O-C 3.57Å; I49-L52 VanDerWaalsContact O-C 3.24Å; I49-L52 PolarHBondContact O-N 3.41Å; I49-L52 VanDerWaalsContact O-O 3.08Å; I49-Q55 HydrophobicContact CD1-CB 4.31Å; I49-Q55 PolarHBondContact N-O 3.24Å; I49-R57 HydrophobicContact CD1-CG 4.15Å; I49-R57 HydrophobicContact CG1-CG 4.23Å; I49-A213 HydrophobicContact CD1-CB 3.64Å; I49-A213 HydrophobicContact CG1-CB 4.3Å; I49-A213 HydrophobicContact CG2-CB 4.05Å
50G95.6Very high96.9Very high77 Ų7738.6 Ų38.679%0.79426%0.258SS*.THydrogen-bonded Turntrans-57.6-33.5-172.900000114.7L52G50-L52 VanDerWaalsContact C-N 3.3Å
51S95.2Very high97Very high36 Ų3642.1 Ų42.125%0.25228%0.277SS..THydrogen-bonded Turntrans-80.5-8.1177.453.70000114I49 P209 D212I49-S51 PolarHBondContact O-N 2.92Å; I49-S51 VanDerWaalsContact O-N 3.16Å; S51-P209 VanDerWaalsContact O-CB 3.26Å; S51-P209 WeakPolarHBondContact O-CB 3.35Å; S51-P209 WeakPolarHBondContact O-CG 3.39Å; S51-P209 WeakPolarHBondContact OG-CA 3.38Å; S51-D212 VanDerWaalsContact CB-OD2 3.26Å; S51-D212 WeakPolarHBondContact CB-OD2 3.46Å; S51-D212 WeakPolarHBondContact OG-CB 3.21Å; S51-D212 PolarHBondContact OG-OD2 3.27Å
52L96.3Very high97.2Very high0 Ų044 Ų440%028%0.284CS..SBendtrans-12976.9178.5-160.968.9000109.7F38 I49 G50 G54 Q55 P209 Y284 Y320F38-L52 HydrophobicContact CE2-CD2 4.19Å; I49-L52 HydrophobicContact CB-CB 4.15Å; I49-L52 HydrophobicContact CG2-CB 3.75Å; I49-L52 CarbonylContact O-C 3.57Å; I49-L52 VanDerWaalsContact O-C 3.24Å; I49-L52 PolarHBondContact O-N 3.41Å; I49-L52 VanDerWaalsContact O-O 3.08Å; G50-L52 VanDerWaalsContact C-N 3.3Å; L52-G54 PolarHBondContact O-N 2.87Å; L52-Q55 HydrophobicContact CB-CB 4.16Å; L52-Q55 HydrophobicContact CB-CG 4.43Å; L52-Q55 HydrophobicContact CD2-CB 3.69Å; L52-Q55 HydrophobicContact CD2-CG 3.6Å; L52-Q55 HydrophobicContact CG-CB 3.84Å; L52-Q55 HydrophobicContact CG-CG 3.62Å; L52-Q55 VanDerWaalsContact O-CB 3.32Å; L52-Q55 WeakPolarHBondContact O-CB 3.32Å; L52-Q55 PolarHBondContact O-N 3.48Å; L52-P209 HydrophobicContact CB-CB 4.35Å; L52-P209 HydrophobicContact CD1-CB 4.23Å; L52-Y284 HydrophobicContact CD1-CD1 3.49Å; L52-Y284 VanDerWaalsContact CD1-CD1 3.49Å; L52-Y284 HydrophobicContact CD1-CE1 4.06Å; L52-Y284 HydrophobicContact CD1-CG 4.13Å; L52-Y284 HydrophobicContact CG-CD1 4.26Å; L52-Y284 HydrophobicContact CG-CE1 4.36Å; L52-Y320 HydrophobicContact CD1-CD2 4.41Å; L52-Y320 HydrophobicContact CD2-CD1 3.86Å; L52-Y320 HydrophobicContact CD2-CE1 3.79Å; L52-Y320 HydrophobicContact CD2-CE2 4.48Å; L52-Y320 HydrophobicContact CD2-CG 4.22Å
53P96.3Very high97.3Very high28 Ų2842.2 Ų42.218%0.18227%0.271CS..THydrogen-bonded Turntrans-53.3135-172.2-27.835.7000112.9Q55 Y284 W288P53-Q55 PolarHBondContact O-N 3.37Å; P53-Y284 WeakPolarHBondContact O-CE1 3.07Å; P53-Y284 PolarHBondContact O-OH 3.13Å; P53-W288 HydrophobicContact CB-CD2 4.13Å; P53-W288 HydrophobicContact CB-CG 4.43Å; P53-W288 HydrophobicContact CB-CZ2 3.99Å; P53-W288 HydrophobicContact CG-CG 4.34Å
54G96.1Very high97.4Very high74 Ų7442.8 Ų42.876%0.76327%0.269SS*.THydrogen-bonded Turntrans82.9-8.4-177.300000114.8L52L52-G54 PolarHBondContact O-N 2.87Å
55Q98.3Very high97.5Very high9 Ų943 Ų434%0.04227%0.27CS..  trans-103.7151177.4-56.6-65.4-49.400111.2Y35 I49 L52 P53 Y320Y35-Q55 PolarHBondContact OH-NE2 3.14Å; Y35-Q55 PolarHBondContact OH-OE1 3.2Å; Y35-Q55 VanDerWaalsContact OH-OE1 3.1Å; I49-Q55 HydrophobicContact CD1-CB 4.31Å; I49-Q55 PolarHBondContact N-O 3.24Å; L52-Q55 HydrophobicContact CB-CB 4.16Å; L52-Q55 HydrophobicContact CB-CG 4.43Å; L52-Q55 HydrophobicContact CD2-CB 3.69Å; L52-Q55 HydrophobicContact CD2-CG 3.6Å; L52-Q55 HydrophobicContact CG-CB 3.84Å; L52-Q55 HydrophobicContact CG-CG 3.62Å; L52-Q55 VanDerWaalsContact O-CB 3.32Å; L52-Q55 WeakPolarHBondContact O-CB 3.32Å; L52-Q55 PolarHBondContact O-N 3.48Å; P53-Q55 PolarHBondContact O-N 3.37Å; Q55-Y320 HydrophobicContact CG-CD1 4.26Å; Q55-Y320 PolarHBondContact NE2-O 3.13Å
56A98.2Very high97.5Very high9 Ų943.6 Ų43.67%0.07427%0.272CS..EExtended strand (participates in β ladder)trans-144.6162.9178.500000111.2V46 E47 F58V46-A56 HydrophobicContact CG1-CB 4.29Å; E47-A56 CarbonylContact O-C 3.58Å; E47-A56 VanDerWaalsContact O-CA 3.24Å; E47-A56 WeakPolarHBondContact O-CA 3.28Å; E47-A56 WeakPolarHBondContact O-CB 3.23Å; A56-F58 HydrophobicContact CB-CD2 4.34Å; A56-F58 HydrophobicContact CB-CE1 4.43Å; A56-F58 HydrophobicContact CB-CE2 3.68Å; A56-F58 HydrophobicContact CB-CZ 3.73Å; A56-F58 VanDerWaalsContact O-CD2 3.28Å; A56-F58 WeakPolarHBondContact O-CD2 3.47Å; A56-F58 VanDerWaalsContact O-CE2 3.28Å; A56-F58 WeakPolarHBondContact O-CE2 3.43Å
57R98.3Very high97.6Very high40 Ų4039.8 Ų39.815%0.15125%0.249CC..EExtended strand (participates in β ladder)trans-89.5134.3163-60.5169.2-78.2172.81108.4F38 T40 V46 E47 I49 A213F38-R57 HydrophobicContact CB-CB 4.36Å; F38-R57 HydrophobicContact CB-CG 3.88Å; F38-R57 WeakPolarHBondContact O-CA 3.4Å; T40-R57 HydrophobicContact CG2-CB 4.46Å; V46-R57 WeakPolarHBondContact CA-O 3.33Å; E47-R57 HydrophobicContact CB-CB 4.21Å; E47-R57 PolarHBondContact N-O 2.62Å; E47-R57 PolarHBondContact O-N 2.83Å; E47-R57 IonicContact OE2-CZ 3.46Å; E47-R57 IonicContact OE2-NE 3.11Å; E47-R57 PolarHBondContact OE2-NE 3.34Å; E47-R57 IonicContact OE2-NH1 2.63Å; E47-R57 PolarHBondContact OE2-NH1 3.42Å; E47-R57 IonicContact OE2-NH2 2.89Å; E47-R57 PolarHBondContact OE2-NH2 3.17Å; I49-R57 HydrophobicContact CD1-CG 4.15Å; I49-R57 HydrophobicContact CG1-CG 4.23Å; R57-A213 WeakPolarHBondContact CD-O 3.41Å
58F98.5Very high97.6Very high30 Ų3041 Ų4113%0.13225%0.254CS..EExtended strand (participates in β ladder)trans-117.5139.9-175.5-65.3-92000110.4F38 I39 T40 A45 V46 A56 K62 L66F38-F58 PolarHBondContact O-N 3.1Å; I39-F58 CarbonylContact C-O 3.54Å; I39-F58 VanDerWaalsContact CA-O 3.24Å; I39-F58 WeakPolarHBondContact CA-O 3.42Å; T40-F58 WeakPolarHBondContact CG2-O 3.24Å; T40-F58 PolarHBondContact N-O 2.77Å; A45-F58 CarbonylContact O-C 3.55Å; A45-F58 WeakPolarHBondContact O-CA 3.45Å; V46-F58 HydrophobicContact CG1-CD1 4.25Å; V46-F58 HydrophobicContact CG1-CE1 3.85Å; V46-F58 HydrophobicContact CG2-CD1 4.16Å; V46-F58 HydrophobicContact CG2-CE1 4.38Å; A56-F58 HydrophobicContact CB-CD2 4.34Å; A56-F58 HydrophobicContact CB-CE1 4.43Å; A56-F58 HydrophobicContact CB-CE2 3.68Å; A56-F58 HydrophobicContact CB-CZ 3.73Å; A56-F58 VanDerWaalsContact O-CD2 3.28Å; A56-F58 WeakPolarHBondContact O-CD2 3.47Å; A56-F58 VanDerWaalsContact O-CE2 3.28Å; A56-F58 WeakPolarHBondContact O-CE2 3.43Å; F58-K62 HydrophobicContact CB-CB 4.47Å; F58-K62 HydrophobicContact CD1-CB 4.16Å; F58-L66 HydrophobicContact CD1-CB 4.43Å; F58-L66 HydrophobicContact CD1-CD2 4.34Å; F58-L66 HydrophobicContact CD2-CD2 3.66Å; F58-L66 HydrophobicContact CE1-CB 4.38Å; F58-L66 HydrophobicContact CE1-CD1 4.15Å; F58-L66 HydrophobicContact CE1-CD2 4.47Å; F58-L66 HydrophobicContact CE2-CD1 3.91Å; F58-L66 HydrophobicContact CE2-CD2 3.79Å; F58-L66 HydrophobicContact CE2-CG 4.42Å; F58-L66 HydrophobicContact CG-CD2 3.94Å; F58-L66 HydrophobicContact CZ-CD1 3.67Å; F58-L66 HydrophobicContact CZ-CD2 4.2Å; F58-L66 HydrophobicContact CZ-CG 4.39Å
59G98.3Very high97.7Very high0 Ų039.4 Ų39.40%024%0.244CC..EExtended strand (participates in β ladder)trans-73157.8163.900000111.6S42 P43 A45 N61 K62S42-G59 WeakPolarHBondContact O-CA 3.35Å; P43-G59 CarbonylContact O-C 3.09Å; P43-G59 WeakPolarHBondContact O-CA 3.34Å; A45-G59 PolarHBondContact O-N 3.43Å; G59-N61 PolarHBondContact O-N 2.85Å; G59-K62 PolarHBondContact O-N 2.78Å
60V97.6Very high97.7Very high22 Ų2240 Ų4013%0.13325%0.247CC..G310 helixtrans-58.6-30.1-178.369.10000113.5P43 K62 V63 L105 K109P43-V60 HydrophobicContact CB-CG1 4.3Å; P43-V60 PolarHBondContact O-N 2.91Å; V60-K62 PolarHBondContact O-N 3.41Å; V60-V63 WeakPolarHBondContact O-CB 3.25Å; V60-V63 WeakPolarHBondContact O-CG2 3.34Å; V60-V63 PolarHBondContact O-N 2.66Å; V60-L105 HydrophobicContact CB-CB 4.49Å; V60-L105 HydrophobicContact CG2-CB 4.1Å; V60-K109 HydrophobicContact CG2-CB 3.87Å; V60-K109 HydrophobicContact CG2-CG 4.06Å
61N98.1Very high97.9Very high78 Ų7838.5 Ų38.542%0.41722%0.222SC..G310 helixtrans-72.7-15.8178-61.5-15.6000112.6P43 D44 G59P43-N61 WeakPolarHBondContact CB-ND2 3.48Å; P43-N61 WeakPolarHBondContact O-CB 3.41Å; P43-N61 PolarHBondContact O-N 3.46Å; D44-N61 WeakPolarHBondContact OD1-CB 3.23Å; D44-N61 PolarHBondContact OD1-ND2 3.04Å; G59-N61 PolarHBondContact O-N 2.85Å
62K98.4Very high98Very high66 Ų6643.3 Ų43.329%0.28724%0.241SC..G310 helixtrans-98.1-1179.6-60.5-57.6-174-175.30113.9V46 F58 G59 V60 E64 D65 L66V46-K62 HydrophobicContact CG2-CB 4.29Å; V46-K62 HydrophobicContact CG2-CD 4.35Å; V46-K62 HydrophobicContact CG2-CG 3.85Å; F58-K62 HydrophobicContact CB-CB 4.47Å; F58-K62 HydrophobicContact CD1-CB 4.16Å; G59-K62 PolarHBondContact O-N 2.78Å; V60-K62 PolarHBondContact O-N 3.41Å; K62-E64 VanDerWaalsContact C-N 3.33Å; K62-E64 PolarHBondContact O-N 3.16Å; K62-D65 IonicContact NZ-OD2 3.98Å; K62-L66 WeakPolarHBondContact O-CB 3.49Å; K62-L66 PolarHBondContact O-N 2.87Å; K62-L66 VanDerWaalsContact O-N 3.08Å
63V97.8Very high98.1Very high0 Ų044.9 Ų44.90%025%0.249CC..Hα-helixtrans-64.7-36.8-178.8170.30000112.2I39 V60 L66 L67 I110I39-V63 HydrophobicContact CD1-CG2 3.88Å; V60-V63 WeakPolarHBondContact O-CB 3.25Å; V60-V63 WeakPolarHBondContact O-CG2 3.34Å; V60-V63 PolarHBondContact O-N 2.66Å; V63-L66 PolarHBondContact O-N 3.18Å; V63-L67 HydrophobicContact CG1-CD1 3.68Å; V63-L67 HydrophobicContact CG1-CG 4.25Å; V63-L67 WeakPolarHBondContact O-CB 3.34Å; V63-L67 WeakPolarHBondContact O-CG 3.41Å; V63-L67 PolarHBondContact O-N 3.03Å; V63-I110 HydrophobicContact CG1-CD1 3.96Å; V63-I110 HydrophobicContact CG1-CG1 3.49Å; V63-I110 VanDerWaalsContact CG1-CG1 3.49Å
64E98.3Very high98.2Very high68 Ų6844.5 Ų44.532%0.31825%0.251SS..Hα-helixtrans-64.1-53.9177.9-168.7164.4-173.700111K62 L66 L67 Q68 L113 F114K62-E64 VanDerWaalsContact C-N 3.33Å; K62-E64 PolarHBondContact O-N 3.16Å; E64-L66 PolarHBondContact O-N 3.31Å; E64-L67 PolarHBondContact O-N 3.47Å; E64-L67 VanDerWaalsContact O-N 3.16Å; E64-Q68 VanDerWaalsContact O-CB 3.27Å; E64-Q68 WeakPolarHBondContact O-CB 3.41Å; E64-Q68 PolarHBondContact O-N 3.09Å; E64-L113 HydrophobicContact CB-CD1 3.63Å; E64-L113 HydrophobicContact CG-CD1 3.82Å; E64-F114 HydrophobicContact CG-CZ 4.44Å
65D98.3Very high98.3Very high104 Ų10441.3 Ų41.356%0.55622%0.216SC*.Hα-helixtrans-54.2-39.4176.4-61.5-17.6000112.1K62 P69K62-D65 IonicContact NZ-OD2 3.98Å; D65-P69 WeakPolarHBondContact O-CD 3.45Å
66L98.2Very high98.3Very high26 Ų2645.7 Ų45.714%0.13624%0.235CC..Hα-helixtrans-68.6-48.4177.8172.763.8000112.5Y35 I37 F58 K62 V63 E64Y35-L66 HydrophobicContact CE1-CD1 4.48Å; I37-L66 HydrophobicContact CG2-CD2 4.06Å; F58-L66 HydrophobicContact CD1-CB 4.43Å; F58-L66 HydrophobicContact CD1-CD2 4.34Å; F58-L66 HydrophobicContact CD2-CD2 3.66Å; F58-L66 HydrophobicContact CE1-CB 4.38Å; F58-L66 HydrophobicContact CE1-CD1 4.15Å; F58-L66 HydrophobicContact CE1-CD2 4.47Å; F58-L66 HydrophobicContact CE2-CD1 3.91Å; F58-L66 HydrophobicContact CE2-CD2 3.79Å; F58-L66 HydrophobicContact CE2-CG 4.42Å; F58-L66 HydrophobicContact CG-CD2 3.94Å; F58-L66 HydrophobicContact CZ-CD1 3.67Å; F58-L66 HydrophobicContact CZ-CD2 4.2Å; F58-L66 HydrophobicContact CZ-CG 4.39Å; K62-L66 WeakPolarHBondContact O-CB 3.49Å; K62-L66 PolarHBondContact O-N 2.87Å; K62-L66 VanDerWaalsContact O-N 3.08Å; V63-L66 PolarHBondContact O-N 3.18Å; E64-L66 PolarHBondContact O-N 3.31Å
67L98.8Very high98.4Very high0 Ų045.5 Ų45.50%023%0.233CC..Hα-helixtrans-93.4-31.3-165.4-66.7-177000113.5I37 V63 E64 L70 V71 L75 V78 I110 F114 L117I37-L67 HydrophobicContact CD1-CD1 4.37Å; I37-L67 HydrophobicContact CG2-CD2 4.36Å; V63-L67 HydrophobicContact CG1-CD1 3.68Å; V63-L67 HydrophobicContact CG1-CG 4.25Å; V63-L67 WeakPolarHBondContact O-CB 3.34Å; V63-L67 WeakPolarHBondContact O-CG 3.41Å; V63-L67 PolarHBondContact O-N 3.03Å; E64-L67 PolarHBondContact O-N 3.47Å; E64-L67 VanDerWaalsContact O-N 3.16Å; L67-L70 HydrophobicContact CD2-CD1 4.44Å; L67-L70 WeakPolarHBondContact O-CB 3.49Å; L67-L70 PolarHBondContact O-N 3.2Å; L67-V71 HydrophobicContact CB-CG2 4.49Å; L67-V71 WeakPolarHBondContact O-CG2 3.23Å; L67-V71 PolarHBondContact O-N 2.91Å; L67-L75 HydrophobicContact CD2-CD2 4.15Å; L67-V78 HydrophobicContact CD1-CG1 4.34Å; L67-V78 HydrophobicContact CD2-CG1 3.82Å; L67-I110 HydrophobicContact CD1-CD1 3.89Å; L67-I110 HydrophobicContact CD1-CG1 3.9Å; L67-F114 HydrophobicContact CB-CD2 4.33Å; L67-F114 HydrophobicContact CB-CE2 3.68Å; L67-F114 HydrophobicContact CB-CZ 4.04Å; L67-F114 HydrophobicContact CD1-CD2 4.39Å; L67-F114 HydrophobicContact CD1-CE2 4.27Å; L67-L117 HydrophobicContact CD1-CD2 4.17Å
68Q98.8Very high98.4Very high81 Ų8143.6 Ų43.638%0.37923%0.226SC..Hα-helixtrans-50.9-54-177.2178.9160.911.400113.2E64 L70 V71 E72 F114E64-Q68 VanDerWaalsContact O-CB 3.27Å; E64-Q68 WeakPolarHBondContact O-CB 3.41Å; E64-Q68 PolarHBondContact O-N 3.09Å; Q68-L70 PolarHBondContact O-N 2.96Å; Q68-V71 PolarHBondContact O-N 3.49Å; Q68-E72 VanDerWaalsContact CG-OE1 3.29Å; Q68-E72 WeakPolarHBondContact CG-OE1 3.49Å; Q68-E72 PolarHBondContact NE2-OE1 3.35Å; Q68-E72 WeakPolarHBondContact O-CG 3.37Å; Q68-E72 PolarHBondContact O-N 2.69Å; Q68-F114 HydrophobicContact CB-CE1 4.18Å; Q68-F114 HydrophobicContact CB-CZ 4.05Å
69P98.4Very high98.4Very high72 Ų7242.3 Ų42.347%0.46822%0.22SC..Hα-helixtrans-63.4-30.9179.224.8-34.9000112.7D65 N73D65-P69 WeakPolarHBondContact O-CD 3.45Å; P69-N73 VanDerWaalsContact O-CB 3.24Å; P69-N73 WeakPolarHBondContact O-CB 3.44Å; P69-N73 PolarHBondContact O-N 3.03Å
70L98.7Very high98.5Very high21 Ų2142.3 Ų42.311%0.1122%0.22CC..Hα-helixtrans-73.9-40.3179.2-57.4179.9000111.8Y35 L67 Q68 N73 G74 L75 P323Y35-L70 HydrophobicContact CD1-CD1 3.84Å; Y35-L70 HydrophobicContact CE1-CD1 3.69Å; L67-L70 HydrophobicContact CD2-CD1 4.44Å; L67-L70 WeakPolarHBondContact O-CB 3.49Å; L67-L70 PolarHBondContact O-N 3.2Å; Q68-L70 PolarHBondContact O-N 2.96Å; L70-N73 CarbonylContact O-C 3.52Å; L70-N73 WeakPolarHBondContact O-CA 3.35Å; L70-N73 PolarHBondContact O-N 3.37Å; L70-N73 VanDerWaalsContact O-N 3.13Å; L70-G74 PolarHBondContact O-N 3.19Å; L70-G74 VanDerWaalsContact O-N 3.09Å; L70-L75 HydrophobicContact CB-CB 4.04Å; L70-L75 HydrophobicContact CB-CD2 3.78Å; L70-L75 HydrophobicContact CD1-CD2 4.32Å; L70-L75 WeakPolarHBondContact O-CB 3.48Å; L70-L75 PolarHBondContact O-N 3.21Å; L70-P323 HydrophobicContact CD1-CG 4.32Å; L70-P323 HydrophobicContact CD2-CB 3.83Å; L70-P323 HydrophobicContact CD2-CG 4.16Å
71V98.7Very high98.5Very high45 Ų4541.7 Ų41.727%0.27322%0.216SC..Hα-helixtrans-63.7-46.2175.4172.90000110.1L67 Q68 N73 G74 F114 L117L67-V71 HydrophobicContact CB-CG2 4.49Å; L67-V71 WeakPolarHBondContact O-CG2 3.23Å; L67-V71 PolarHBondContact O-N 2.91Å; Q68-V71 PolarHBondContact O-N 3.49Å; V71-N73 PolarHBondContact O-N 3.24Å; V71-G74 PolarHBondContact O-N 2.94Å; V71-F114 HydrophobicContact CB-CD1 4.33Å; V71-F114 HydrophobicContact CG1-CD1 4.18Å; V71-F114 HydrophobicContact CG2-CD1 4.03Å; V71-F114 HydrophobicContact CG2-CE1 4.36Å; V71-F114 HydrophobicContact CG2-CG 4.22Å; V71-L117 HydrophobicContact CG2-CD1 4.24Å; V71-L117 HydrophobicContact CG2-CD2 4.08Å
72E98.3Very high98.4Very high137 Ų13738.3 Ų38.364%0.6420%0.2SC*.Hα-helixtrans-59.7-32.4172.1-70.3171.4-173.100111.7Q68 G74Q68-E72 VanDerWaalsContact CG-OE1 3.29Å; Q68-E72 WeakPolarHBondContact CG-OE1 3.49Å; Q68-E72 PolarHBondContact NE2-OE1 3.35Å; Q68-E72 WeakPolarHBondContact O-CG 3.37Å; Q68-E72 PolarHBondContact O-N 2.69Å; E72-G74 VanDerWaalsContact C-N 3.26Å; E72-G74 PolarHBondContact O-N 3.09Å
73N98.1Very high98.3Very high33 Ų3335.2 Ų35.218%0.17619%0.186CC..THydrogen-bonded Turntrans-79.4-2.4174.9-15421.9000114.1P69 L70 V71 L326 T327 K330P69-N73 VanDerWaalsContact O-CB 3.24Å; P69-N73 WeakPolarHBondContact O-CB 3.44Å; P69-N73 PolarHBondContact O-N 3.03Å; L70-N73 CarbonylContact O-C 3.52Å; L70-N73 WeakPolarHBondContact O-CA 3.35Å; L70-N73 PolarHBondContact O-N 3.37Å; L70-N73 VanDerWaalsContact O-N 3.13Å; V71-N73 PolarHBondContact O-N 3.24Å; N73-L326 HydrophobicContact CB-CB 4.39Å; N73-L326 WeakPolarHBondContact ND2-CB 3.19Å; N73-T327 PolarHBondContact ND2-OG1 3.44Å; N73-K330 WeakPolarHBondContact O-CE 3.45Å; N73-K330 PolarHBondContact O-NZ 3.15Å; N73-K330 WeakPolarHBondContact OD1-CE 3.46Å; N73-K330 PolarHBondContact OD1-NZ 3.12Å
74G98.1Very high98Very high20 Ų2035.4 Ų35.421%0.20619%0.187CC..THydrogen-bonded Turntrans105.311.3173.900000115.8P30 L70 V71 E72 K76P30-G74 WeakPolarHBondContact CB-O 3.35Å; L70-G74 PolarHBondContact O-N 3.19Å; L70-G74 VanDerWaalsContact O-N 3.09Å; V71-G74 PolarHBondContact O-N 2.94Å; E72-G74 VanDerWaalsContact C-N 3.26Å; E72-G74 PolarHBondContact O-N 3.09Å; G74-K76 WeakPolarHBondContact O-CG 3.44Å; G74-K76 PolarHBondContact O-N 3.06Å
75L98.8Very high97.4Very high6 Ų635.3 Ų35.33%0.03120%0.198CC..  trans-55129.2173.6-178.765.5000110.9L67 L70 C77 V78 L117 T322 L326L67-L75 HydrophobicContact CD2-CD2 4.15Å; L70-L75 HydrophobicContact CB-CB 4.04Å; L70-L75 HydrophobicContact CB-CD2 3.78Å; L70-L75 HydrophobicContact CD1-CD2 4.32Å; L70-L75 WeakPolarHBondContact O-CB 3.48Å; L70-L75 PolarHBondContact O-N 3.21Å; L75-C77 WeakPolarHBondContact CD1-O 3.43Å; L75-V78 HydrophobicContact CD2-CG1 3.82Å; L75-L117 HydrophobicContact CD2-CD1 4.41Å; L75-L117 HydrophobicContact CG-CD1 4.11Å; L75-T322 HydrophobicContact CD1-CG2 3.62Å; L75-L326 HydrophobicContact CB-CD1 3.78Å; L75-L326 HydrophobicContact CD1-CD1 4.24Å
76K98.7Very high96.9Very high101 Ų10137.3 Ų37.344%0.43920%0.202SC..  trans-106.7-25.9-177.6-61.3-54.1-171.8177.60114.5D31 G74 L117 L118D31-K76 WeakPolarHBondContact OD1-CE 3.47Å; G74-K76 WeakPolarHBondContact O-CG 3.44Å; G74-K76 PolarHBondContact O-N 3.06Å; K76-L117 VanDerWaalsContact C-CD1 3.45Å; K76-L117 WeakPolarHBondContact O-CD1 3.27Å; K76-L118 VanDerWaalsContact O-CB 3.25Å; K76-L118 WeakPolarHBondContact O-CB 3.35Å; K76-L118 PolarHBondContact O-N 3.05Å
77C98.9Very high96.4Very high6 Ų637.9 Ų37.94%0.04121%0.205CC..EExtended strand (participates in β ladder)trans-151.3142.8-175.7-174.20000112.9I34 Y35 L75 L118I34-C77 WeakPolarHBondContact CA-O 3.25Å; I34-C77 HydrophobicContact CB-CB 4.46Å; I34-C77 HydrophobicContact CG1-CB 3.9Å; I34-C77 HydrophobicContact CG2-CB 4.47Å; Y35-C77 PolarHBondContact N-O 3.42Å; L75-C77 WeakPolarHBondContact CD1-O 3.43Å; C77-L118 VanDerWaalsContact CA-O 3.31Å; C77-L118 WeakPolarHBondContact CA-O 3.34Å; C77-L118 HydrophobicContact CB-CB 3.9Å; C77-L118 HydrophobicContact CB-CD2 4.3Å
78V98.9Very high96.1Very high0 Ų041.8 Ų41.80%024%0.237CC..EExtended strand (participates in β ladder)trans-117.8149.4170-66.90000111.1Y35 I37 L67 L75 I110 L117 L118 A120Y35-V78 CarbonylContact O-C 3.41Å; Y35-V78 VanDerWaalsContact O-CA 3.26Å; Y35-V78 WeakPolarHBondContact O-CA 3.33Å; I37-V78 HydrophobicContact CD1-CB 4.07Å; I37-V78 HydrophobicContact CD1-CG1 4.35Å; I37-V78 HydrophobicContact CD1-CG2 4.24Å; I37-V78 HydrophobicContact CG1-CB 4.46Å; L67-V78 HydrophobicContact CD1-CG1 4.34Å; L67-V78 HydrophobicContact CD2-CG1 3.82Å; L75-V78 HydrophobicContact CD2-CG1 3.82Å; V78-I110 HydrophobicContact CG2-CD1 4.24Å; V78-L117 HydrophobicContact CG1-CD2 4.07Å; V78-L117 HydrophobicContact CG2-CD2 4.14Å; V78-L118 PolarHBondContact N-O 2.97Å; V78-L118 VanDerWaalsContact N-O 3.07Å; V78-A120 WeakPolarHBondContact O-CA 3.47Å; V78-A120 WeakPolarHBondContact O-CB 3.49Å; V78-A120 PolarHBondContact O-N 3.15Å
79L98.9Very high95.8Very high2 Ų242 Ų421%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-114.7110.6170176.563000109.9I34 Y35 P36 I37 F81 A120 D122 A168 Y278 I318I34-L79 HydrophobicContact CG2-CB 3.67Å; Y35-L79 PolarHBondContact O-N 3.12Å; P36-L79 WeakPolarHBondContact CA-O 3.47Å; I37-L79 PolarHBondContact N-O 3.03Å; L79-F81 HydrophobicContact CB-CE2 4.43Å; L79-F81 HydrophobicContact CD2-CE2 3.64Å; L79-F81 HydrophobicContact CD2-CZ 3.6Å; L79-F81 HydrophobicContact CG-CD2 4.43Å; L79-F81 HydrophobicContact CG-CE2 3.63Å; L79-F81 HydrophobicContact CG-CZ 3.94Å; L79-A120 WeakPolarHBondContact CA-O 3.3Å; L79-A120 HydrophobicContact CB-CB 4.43Å; L79-A120 HydrophobicContact CD1-CB 3.81Å; L79-D122 HydrophobicContact CD1-CB 4.49Å; L79-A168 HydrophobicContact CD1-CB 4.05Å; L79-Y278 HydrophobicContact CD2-CE2 3.89Å; L79-I318 HydrophobicContact CD2-CD1 4.2Å; L79-I318 HydrophobicContact CD2-CG2 4.11Å
80I98.9Very high95.6Very high0 Ų041 Ų410%023%0.228CC..EExtended strand (participates in β ladder)trans-82.8130.1-176-61.7166.4000110.8I37 I39 A103 A106 I107 I110 V119 A120 C121 D122I37-I80 HydrophobicContact CD1-CG1 3.99Å; I37-I80 HydrophobicContact CG1-CG1 4.06Å; I39-I80 HydrophobicContact CG1-CG2 4.06Å; I80-A103 HydrophobicContact CG2-CB 4.24Å; I80-A106 HydrophobicContact CD1-CB 4.17Å; I80-A106 HydrophobicContact CG2-CB 4.3Å; I80-I107 HydrophobicContact CD1-CG1 3.66Å; I80-I110 HydrophobicContact CD1-CD1 3.91Å; I80-I110 HydrophobicContact CG1-CD1 4.32Å; I80-V119 HydrophobicContact CD1-CG1 3.58Å; I80-A120 PolarHBondContact N-O 3.4Å; I80-C121 HydrophobicContact CB-CB 4.44Å; I80-D122 PolarHBondContact O-N 3.18Å
81F98.5Very high95.5Very high9 Ų947 Ų474%0.03926%0.255CS..EExtended strand (participates in β ladder)trans-114.9118.3165.3-65.7-89000109.6P36 I37 F38 I39 L79 D122 F210 Y278P36-F81 HydrophobicContact CB-CD2 4.45Å; P36-F81 HydrophobicContact CB-CE2 4.03Å; I37-F81 PolarHBondContact O-N 2.72Å; F38-F81 WeakPolarHBondContact CA-O 3.45Å; F38-F81 HydrophobicContact CD1-CB 3.83Å; F38-F81 HydrophobicContact CD1-CG 4.32Å; F38-F81 HydrophobicContact CE1-CB 4.25Å; F38-F81 HydrophobicContact CE1-CD2 4.3Å; F38-F81 HydrophobicContact CE1-CG 4.26Å; I39-F81 PolarHBondContact N-O 3.01Å; L79-F81 HydrophobicContact CB-CE2 4.43Å; L79-F81 HydrophobicContact CD2-CE2 3.64Å; L79-F81 HydrophobicContact CD2-CZ 3.6Å; L79-F81 HydrophobicContact CG-CD2 4.43Å; L79-F81 HydrophobicContact CG-CE2 3.63Å; L79-F81 HydrophobicContact CG-CZ 3.94Å; F81-D122 HydrophobicContact CD1-CB 3.61Å; F81-D122 HydrophobicContact CE1-CB 3.46Å; F81-D122 VanDerWaalsContact CE1-CB 3.46Å; F81-D122 WeakPolarHBondContact CE1-OD1 3.09Å; F81-D122 HydrophobicContact CG-CB 4.39Å; F81-D122 HydrophobicContact CZ-CB 4.12Å; F81-F210 AromaticContact CD1-CE2 3.88Å; F81-F210 HydrophobicContact CD1-CE2 3.88Å; F81-F210 AromaticContact CD1-CZ 3.69Å; F81-F210 HydrophobicContact CD1-CZ 3.69Å; F81-F210 AromaticContact CE1-CE2 3.71Å; F81-F210 HydrophobicContact CE1-CE2 3.71Å; F81-F210 AromaticContact CE1-CZ 3.59Å; F81-F210 HydrophobicContact CE1-CZ 3.59Å; F81-F210 HydrophobicContact CE2-CE2 4.44Å; F81-F210 HydrophobicContact CG-CE2 4.31Å; F81-F210 HydrophobicContact CG-CZ 4.48Å; F81-F210 HydrophobicContact CZ-CE2 4.03Å; F81-F210 HydrophobicContact CZ-CZ 4.34Å; F81-Y278 WeakPolarHBondContact CE2-OH 3.28Å; F81-Y278 HydrophobicContact CZ-CE2 4.02Å; F81-Y278 WeakPolarHBondContact CZ-OH 3.37Å
82G96.7Very high95.3Very high8 Ų851 Ų518%0.08227%0.265CS..EExtended strand (participates in β ladder)trans-75.7131.6169.600000111.3P84G82-P84 WeakPolarHBondContact O-CD 3.41Å
83V95.3Very high95.2Very high1 Ų144.4 Ų44.41%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-122.478.2178.7-169.20000108.5F38 I39 T40 A85 Q215F38-V83 HydrophobicContact CB-CG2 4.07Å; F38-V83 HydrophobicContact CD1-CG2 4.21Å; I39-V83 PolarHBondContact O-N 3.42Å; T40-V83 WeakPolarHBondContact CA-O 3.32Å; V83-A85 PolarHBondContact O-N 3.17Å; V83-Q215 HydrophobicContact CG1-CB 4.39Å; V83-Q215 HydrophobicContact CG1-CG 4.28Å
84P91.3Very high95Very high4 Ų444.8 Ų44.83%0.02624%0.24CC..  trans-68.2124.2178.929.7-36.6000111D41 G82 I87 P127 Y128D41-P84 WeakPolarHBondContact OD2-CA 3.39Å; G82-P84 WeakPolarHBondContact O-CD 3.41Å; P84-I87 HydrophobicContact CB-CB 3.82Å; P84-I87 HydrophobicContact CB-CD1 4.18Å; P84-I87 HydrophobicContact CB-CG1 4.17Å; P84-P127 HydrophobicContact CG-CB 4.25Å; P84-P127 WeakPolarHBondContact CG-O 3.37Å; P84-Y128 HydrophobicContact CB-CD1 4.29Å; P84-Y128 HydrophobicContact CB-CE1 4.04Å; P84-Y128 HydrophobicContact CG-CD1 3.64Å; P84-Y128 HydrophobicContact CG-CE1 3.54Å; P84-Y128 HydrophobicContact CG-CG 4.39Å
85A87.2Confident94.7Very high66 Ų6644.1 Ų44.155%0.54523%0.233SC..SBendtrans-108-29.317300000112.5D41 V83D41-A85 PolarHBondContact OD1-N 2.84Å; D41-A85 PolarHBondContact OD2-N 3.46Å; V83-A85 PolarHBondContact O-N 3.17Å
86K87.8Confident94.5Very high145 Ų14543.9 Ų43.963%0.6323%0.232SC*.SBendtrans-105.9-19.9-177.8-59.8172-171.2164.20113.2D41D41-K86 PolarHBondContact O-NZ 3.17Å; D41-K86 VanDerWaalsContact O-NZ 3.12Å; D41-K86 WeakPolarHBondContact OD1-CG 3.39Å; D41-K86 PolarHBondContact OD1-N 3.46Å; D41-K86 WeakPolarHBondContact OD2-CA 3.38Å; D41-K86 WeakPolarHBondContact OD2-CB 3.4Å; D41-K86 PolarHBondContact OD2-N 2.9Å
87I87.5Confident94.2Very high38 Ų3840.9 Ų40.920%0.19522%0.221CC..SBendtrans-73128.2176.2-58.1-179.5000109.5D41 P84 K89 T101D41-I87 PolarHBondContact OD2-N 2.99Å; P84-I87 HydrophobicContact CB-CB 3.82Å; P84-I87 HydrophobicContact CB-CD1 4.18Å; P84-I87 HydrophobicContact CB-CG1 4.17Å; I87-K89 PolarHBondContact O-N 3.48Å; I87-T101 HydrophobicContact CD1-CG2 4.03Å
88A90.9Very high93.9Very high83 Ų8342.9 Ų42.969%0.68623%0.234SC*.PPolyproline II helixtrans-61.9129.3178.300000110.7
89K93.3Very high93.5Very high85 Ų8548.4 Ų48.437%0.3726%0.264SS..PPolyproline II helixtrans-88133.6174.2-57.7-168.7-172.7-162.20109.8I87 P127 Y128 Q215I87-K89 PolarHBondContact O-N 3.48Å; K89-P127 WeakPolarHBondContact CE-O 3.45Å; K89-P127 PolarHBondContact NZ-O 3.27Å; K89-Y128 VanDerWaalsContact CA-O 3.27Å; K89-Y128 WeakPolarHBondContact CA-O 3.37Å; K89-Y128 WeakPolarHBondContact CB-O 3.32Å; K89-Q215 PolarHBondContact NZ-O 2.95Å
90D95.1Very high93Very high51 Ų5153.4 Ų53.427%0.27329%0.291SS..BIsolated β-bridgetrans-131.6-177.5177.869.38.2000111.4R92 G93 S94 Y128 T129 S130D90-R92 VanDerWaalsContact C-N 3.32Å; D90-R92 PolarHBondContact O-N 2.95Å; D90-R92 PolarHBondContact OD1-N 3.23Å; D90-G93 WeakPolarHBondContact OD1-CA 3.35Å; D90-G93 PolarHBondContact OD1-N 3.03Å; D90-S94 PolarHBondContact OD1-N 3.46Å; D90-S94 WeakPolarHBondContact OD2-CB 3.23Å; D90-S94 PolarHBondContact OD2-N 3.31Å; D90-S94 PolarHBondContact OD2-OG 2.92Å; D90-Y128 PolarHBondContact N-O 2.93Å; D90-T129 CarbonylContact O-C 3.45Å; D90-T129 WeakPolarHBondContact O-CA 3.38Å; D90-S130 PolarHBondContact O-N 3.07Å
91E95.1Very high92.8Very high147 Ų14753.4 Ų53.469%0.68729%0.291SS*.SBendtrans-73.9-22.7-174.7-64.2-179.9167.400113.5H131E91-H131 PolarHBondContact O-NE2 3.08Å
92R95.1Very high92.7Very high128 Ų12853 Ų5348%0.48329%0.289SS..SBendtrans-103.6-2.6-178.464.5171.8-81.3174.1-1.2114.2D90 S94 I136 R151 E154D90-R92 VanDerWaalsContact C-N 3.32Å; D90-R92 PolarHBondContact O-N 2.95Å; D90-R92 PolarHBondContact OD1-N 3.23Å; R92-S94 WeakPolarHBondContact CD-OG 3.25Å; R92-S94 WeakPolarHBondContact CG-OG 3.42Å; R92-S94 PolarHBondContact NE-OG 3.24Å; R92-I136 HydrophobicContact CB-CD1 4.33Å; R92-R151 WeakPolarHBondContact O-CD 3.15Å; R92-R151 PolarHBondContact O-NE 3.31Å; R92-E154 IonicContact NH2-OE2 2.72Å
93G95.8Very high92.7Very high0 Ų052.7 Ų52.70%029%0.285CS..  trans6147-171.900000112.9D90 G95 A96 R151D90-G93 WeakPolarHBondContact OD1-CA 3.35Å; D90-G93 PolarHBondContact OD1-N 3.03Å; G93-G95 PolarHBondContact O-N 2.83Å; G93-G95 VanDerWaalsContact O-N 3.16Å; G93-A96 VanDerWaalsContact O-CB 3.26Å; G93-A96 WeakPolarHBondContact O-CB 3.42Å; G93-A96 PolarHBondContact O-N 2.92Å; G93-R151 PolarHBondContact O-NH2 3.43Å
94S94Very high92.8Very high41 Ų4152.6 Ų52.629%0.28729%0.285SS..G310 helixtrans-58.5-28.7-177.2-56.80000113D90 R92 A96D90-S94 PolarHBondContact OD1-N 3.46Å; D90-S94 WeakPolarHBondContact OD2-CB 3.23Å; D90-S94 PolarHBondContact OD2-N 3.31Å; D90-S94 PolarHBondContact OD2-OG 2.92Å; R92-S94 WeakPolarHBondContact CD-OG 3.25Å; R92-S94 WeakPolarHBondContact CG-OG 3.42Å; R92-S94 PolarHBondContact NE-OG 3.24Å; S94-A96 PolarHBondContact O-N 3.42Å
95G91.9Very high93.1Very high6 Ų655.7 Ų55.76%0.06230%0.301CS..G310 helixtrans-76.86.9176.700000115.2G93 T101 Y128G93-G95 PolarHBondContact O-N 2.83Å; G93-G95 VanDerWaalsContact O-N 3.16Å; G95-T101 WeakPolarHBondContact O-CG2 3.25Å; G95-Y128 VanDerWaalsContact C-CD1 3.47Å; G95-Y128 WeakPolarHBondContact O-CD1 3.48Å; G95-Y128 WeakPolarHBondContact O-CE1 3.35Å
96A94.6Very high93.6Very high0 Ų052.6 Ų52.60%028%0.275CS..G310 helixtrans-80-21.4-176.700000114.1G93 S94 L125 Y128 V155 Y159G93-A96 VanDerWaalsContact O-CB 3.26Å; G93-A96 WeakPolarHBondContact O-CB 3.42Å; G93-A96 PolarHBondContact O-N 2.92Å; S94-A96 PolarHBondContact O-N 3.42Å; A96-L125 HydrophobicContact CB-CD2 4.31Å; A96-Y128 HydrophobicContact CB-CD1 4.18Å; A96-Y128 HydrophobicContact CB-CD2 3.55Å; A96-Y128 HydrophobicContact CB-CE2 4.03Å; A96-Y128 HydrophobicContact CB-CG 3.66Å; A96-V155 HydrophobicContact CB-CG1 4.25Å; A96-V155 HydrophobicContact CB-CG2 3.65Å; A96-Y159 VanDerWaalsContact O-CE1 3.28Å; A96-Y159 WeakPolarHBondContact O-CE1 3.44Å; A96-Y159 PolarHBondContact O-OH 2.99Å; A96-Y159 VanDerWaalsContact O-OH 3.07Å
97D93Very high94.2Very high39 Ų3945.7 Ų45.721%0.20925%0.245CC..SBendtrans-135.213.3-17061.4-20.8000114.1R151 V155 S158D97-R151 VanDerWaalsContact CG-NH1 3.33Å; D97-R151 VanDerWaalsContact CG-NH2 3.26Å; D97-R151 IonicContact OD1-CZ 2.61Å; D97-R151 IonicContact OD1-NH1 3.73Å; D97-R151 IonicContact OD1-NH2 2.77Å; D97-R151 PolarHBondContact OD1-NH2 2.94Å; D97-R151 IonicContact OD2-CZ 3.71Å; D97-R151 IonicContact OD2-NH1 2.95Å; D97-R151 PolarHBondContact OD2-NH1 3.18Å; D97-R151 IonicContact OD2-NH2 3.24Å; D97-R151 PolarHBondContact OD2-NH2 3.3Å; D97-V155 HydrophobicContact CB-CB 4.39Å; D97-V155 HydrophobicContact CB-CG2 4.1Å; D97-S158 PolarHBondContact O-OG 3.28Å
98S91.5Very high94.7Very high47 Ų4748 Ų4833%0.32925%0.254SS..  trans-66.8150.9170.8-54.10000111.1D100 T101S98-D100 WeakPolarHBondContact CB-OD1 3.25Å; S98-D100 PolarHBondContact O-N 3.17Å; S98-D100 VanDerWaalsContact O-N 3.15Å; S98-T101 WeakPolarHBondContact O-CG2 3.18Å; S98-T101 PolarHBondContact O-N 3.01Å; S98-T101 VanDerWaalsContact O-N 3.16Å; S98-T101 PolarHBondContact O-OG1 2.92Å
99D90.2Very high95.1Very high117 Ų11747.6 Ų47.663%0.62624%0.236SC*.THydrogen-bonded Turntrans-63.6-21.4-174.7-98-44.3000114.4V104 K108D99-V104 WeakPolarHBondContact O-CG1 3.42Å; D99-K108 IonicContact OD1-NZ 2.7Å; D99-K108 PolarHBondContact OD1-NZ 3.43Å
100D89.8Confident95.3Very high106 Ų10643.5 Ų43.557%0.56722%0.219SC*.THydrogen-bonded Turntrans-100.98-177.565.1-23.1000113.2S98 L105S98-D100 WeakPolarHBondContact CB-OD1 3.25Å; S98-D100 PolarHBondContact O-N 3.17Å; S98-D100 VanDerWaalsContact O-N 3.15Å; D100-L105 WeakPolarHBondContact O-CD1 3.2Å
101T94.4Very high95.5Very high0 Ų044.7 Ų44.70%022%0.219CC..SBendtrans-66.3148.8176.759.70000111.7I87 G95 S98 A103 V104 L105I87-T101 HydrophobicContact CD1-CG2 4.03Å; G95-T101 WeakPolarHBondContact O-CG2 3.25Å; S98-T101 WeakPolarHBondContact O-CG2 3.18Å; S98-T101 PolarHBondContact O-N 3.01Å; S98-T101 VanDerWaalsContact O-N 3.16Å; S98-T101 PolarHBondContact O-OG1 2.92Å; T101-A103 PolarHBondContact O-N 2.98Å; T101-A103 VanDerWaalsContact O-N 3.13Å; T101-V104 PolarHBondContact O-N 2.95Å; T101-V104 WeakPolarHBondContact OG1-CB 3.4Å; T101-V104 WeakPolarHBondContact OG1-CG2 3.19Å; T101-V104 PolarHBondContact OG1-N 3.38Å; T101-L105 WeakPolarHBondContact O-CB 3.31Å; T101-L105 WeakPolarHBondContact O-CG 3.26Å; T101-L105 PolarHBondContact O-N 3.09Å
102P95.9Very high95.6Very high2 Ų242.4 Ų42.41%0.01322%0.219CC..Hα-helixtrans-52.5-38.5176.5-29.535.5000113.5I39 D41 A106I39-P102 HydrophobicContact CB-CB 4.12Å; I39-P102 HydrophobicContact CG2-CB 3.87Å; I39-P102 WeakPolarHBondContact CG2-O 3.31Å; I39-P102 WeakPolarHBondContact O-CB 3.46Å; D41-P102 HydrophobicContact CB-CG 3.82Å; P102-A106 VanDerWaalsContact O-CB 3.24Å; P102-A106 WeakPolarHBondContact O-CB 3.37Å; P102-A106 PolarHBondContact O-N 3.22Å
103A97.1Very high95.8Very high0 Ų038.6 Ų38.60%021%0.208CC..Hα-helixtrans-67.1-51.5178.800000112I80 T101 L105 A106 I107 Y159I80-A103 HydrophobicContact CG2-CB 4.24Å; T101-A103 PolarHBondContact O-N 2.98Å; T101-A103 VanDerWaalsContact O-N 3.13Å; A103-L105 PolarHBondContact O-N 2.79Å; A103-A106 PolarHBondContact O-N 3.4Å; A103-I107 WeakPolarHBondContact O-CD1 3.38Å; A103-I107 VanDerWaalsContact O-CG1 3.23Å; A103-I107 WeakPolarHBondContact O-CG1 3.36Å; A103-I107 PolarHBondContact O-N 2.97Å; A103-Y159 HydrophobicContact CB-CE1 3.92Å; A103-Y159 HydrophobicContact CB-CE2 4.35Å; A103-Y159 WeakPolarHBondContact CB-OH 3.37Å
104V97.5Very high95.9Very high0 Ų039.6 Ų39.60%021%0.213CC..Hα-helixtrans-61.9-44179.7170.80000111.4D99 T101 A106 I107 K108 Y159 A162D99-V104 WeakPolarHBondContact O-CG1 3.42Å; T101-V104 PolarHBondContact O-N 2.95Å; T101-V104 WeakPolarHBondContact OG1-CB 3.4Å; T101-V104 WeakPolarHBondContact OG1-CG2 3.19Å; T101-V104 PolarHBondContact OG1-N 3.38Å; V104-A106 PolarHBondContact O-N 3.47Å; V104-I107 PolarHBondContact O-N 3.36Å; V104-K108 HydrophobicContact CG1-CD 4.04Å; V104-K108 WeakPolarHBondContact O-CG 3.16Å; V104-K108 PolarHBondContact O-N 3.42Å; V104-Y159 HydrophobicContact CG2-CD1 3.75Å; V104-Y159 HydrophobicContact CG2-CE1 3.86Å; V104-A162 HydrophobicContact CG1-CB 3.92Å
105L97.7Very high96.1Very high69 Ų6941.4 Ų41.436%0.36122%0.224SC..Hα-helixtrans-62.1-43.2177.3-67.7177.3000111.7V60 D100 T101 A103 K108 K109V60-L105 HydrophobicContact CB-CB 4.49Å; V60-L105 HydrophobicContact CG2-CB 4.1Å; D100-L105 WeakPolarHBondContact O-CD1 3.2Å; T101-L105 WeakPolarHBondContact O-CB 3.31Å; T101-L105 WeakPolarHBondContact O-CG 3.26Å; T101-L105 PolarHBondContact O-N 3.09Å; A103-L105 PolarHBondContact O-N 2.79Å; L105-K108 PolarHBondContact O-N 2.99Å; L105-K109 VanDerWaalsContact O-CB 3.26Å; L105-K109 WeakPolarHBondContact O-CB 3.39Å; L105-K109 PolarHBondContact O-N 3.21Å
106A98.4Very high96.4Very high0 Ų049.8 Ų49.80%026%0.261CS..Hα-helixtrans-65-42.1175.700000112.6I39 I80 P102 A103 V104 K109 I110I39-A106 HydrophobicContact CB-CB 4.34Å; I39-A106 HydrophobicContact CD1-CB 4.33Å; I39-A106 HydrophobicContact CG1-CB 3.75Å; I39-A106 HydrophobicContact CG2-CB 4.09Å; I80-A106 HydrophobicContact CD1-CB 4.17Å; I80-A106 HydrophobicContact CG2-CB 4.3Å; P102-A106 VanDerWaalsContact O-CB 3.24Å; P102-A106 WeakPolarHBondContact O-CB 3.37Å; P102-A106 PolarHBondContact O-N 3.22Å; A103-A106 PolarHBondContact O-N 3.4Å; V104-A106 PolarHBondContact O-N 3.47Å; A106-K109 PolarHBondContact O-N 2.63Å; A106-I110 HydrophobicContact CB-CD1 4.42Å; A106-I110 VanDerWaalsContact O-CB 3.31Å; A106-I110 WeakPolarHBondContact O-CB 3.24Å; A106-I110 WeakPolarHBondContact O-CD1 3.44Å; A106-I110 WeakPolarHBondContact O-CG1 3.26Å; A106-I110 PolarHBondContact O-N 3.05Å
107I98.8Very high96.6Very high0 Ų050 Ų500%026%0.263CS..Hα-helixtrans-56.3-54.9175.8-68.4159.3000109.5I80 A103 V104 K109 I110 R111 V119 C121 Y159 A162 C164I80-I107 HydrophobicContact CD1-CG1 3.66Å; A103-I107 WeakPolarHBondContact O-CD1 3.38Å; A103-I107 VanDerWaalsContact O-CG1 3.23Å; A103-I107 WeakPolarHBondContact O-CG1 3.36Å; A103-I107 PolarHBondContact O-N 2.97Å; V104-I107 PolarHBondContact O-N 3.36Å; I107-K109 VanDerWaalsContact C-N 3.34Å; I107-K109 PolarHBondContact O-N 3.48Å; I107-I110 PolarHBondContact O-N 3.46Å; I107-R111 HydrophobicContact CG2-CG 4.34Å; I107-R111 WeakPolarHBondContact O-CB 3.43Å; I107-R111 VanDerWaalsContact O-CG 3.23Å; I107-R111 WeakPolarHBondContact O-CG 3.41Å; I107-R111 PolarHBondContact O-N 3.26Å; I107-V119 HydrophobicContact CG1-CG1 4.13Å; I107-V119 HydrophobicContact CG2-CG1 4.47Å; I107-C121 HydrophobicContact CD1-CB 4.19Å; I107-Y159 HydrophobicContact CD1-CD1 4.28Å; I107-Y159 HydrophobicContact CD1-CG 4.06Å; I107-A162 HydrophobicContact CB-CB 4.37Å; I107-A162 HydrophobicContact CG2-CB 3.99Å; I107-A162 WeakPolarHBondContact CG2-O 3.41Å; I107-C164 HydrophobicContact CD1-CB 4.02Å; I107-C164 HydrophobicContact CG1-CB 4.41Å; I107-C164 HydrophobicContact CG2-CB 4.25Å
108K98.5Very high96.9Very high88 Ų8851.6 Ų51.638%0.38327%0.27SS..Hα-helixtrans-58.2-45.6-179.2-69.7172.8-178.4168.30111.3D99 V104 L105 S112 A162D99-K108 IonicContact OD1-NZ 2.7Å; D99-K108 PolarHBondContact OD1-NZ 3.43Å; V104-K108 HydrophobicContact CG1-CD 4.04Å; V104-K108 WeakPolarHBondContact O-CG 3.16Å; V104-K108 PolarHBondContact O-N 3.42Å; L105-K108 PolarHBondContact O-N 2.99Å; K108-S112 PolarHBondContact O-N 2.91Å; K108-S112 VanDerWaalsContact O-N 3.14Å; K108-A162 HydrophobicContact CG-CB 4.33Å
109K98.6Very high97.3Very high73 Ų7349.3 Ų49.332%0.31726%0.255SS..Hα-helixtrans-64.2-46.9179.9-174.267.8170168.90112.1V60 L105 A106 I107 S112 L113V60-K109 HydrophobicContact CG2-CB 3.87Å; V60-K109 HydrophobicContact CG2-CG 4.06Å; L105-K109 VanDerWaalsContact O-CB 3.26Å; L105-K109 WeakPolarHBondContact O-CB 3.39Å; L105-K109 PolarHBondContact O-N 3.21Å; A106-K109 PolarHBondContact O-N 2.63Å; I107-K109 VanDerWaalsContact C-N 3.34Å; I107-K109 PolarHBondContact O-N 3.48Å; K109-S112 PolarHBondContact O-N 3.38Å; K109-L113 HydrophobicContact CD-CD1 4.08Å; K109-L113 HydrophobicContact CD-CG 4.43Å; K109-L113 HydrophobicContact CG-CD1 4.05Å; K109-L113 WeakPolarHBondContact O-CG 3.19Å; K109-L113 PolarHBondContact O-N 3.32Å
110I98.8Very high97.7Very high0 Ų043.8 Ų43.80%023%0.225CC..Hα-helixtrans-66.1-43.4-179.4-68.2166.1000110.8I37 V63 L67 V78 I80 A106 I107 S112 L113 F114 L117 V119I37-I110 HydrophobicContact CD1-CD1 3.87Å; V63-I110 HydrophobicContact CG1-CD1 3.96Å; V63-I110 HydrophobicContact CG1-CG1 3.49Å; V63-I110 VanDerWaalsContact CG1-CG1 3.49Å; L67-I110 HydrophobicContact CD1-CD1 3.89Å; L67-I110 HydrophobicContact CD1-CG1 3.9Å; V78-I110 HydrophobicContact CG2-CD1 4.24Å; I80-I110 HydrophobicContact CD1-CD1 3.91Å; I80-I110 HydrophobicContact CG1-CD1 4.32Å; A106-I110 HydrophobicContact CB-CD1 4.42Å; A106-I110 VanDerWaalsContact O-CB 3.31Å; A106-I110 WeakPolarHBondContact O-CB 3.24Å; A106-I110 WeakPolarHBondContact O-CD1 3.44Å; A106-I110 WeakPolarHBondContact O-CG1 3.26Å; A106-I110 PolarHBondContact O-N 3.05Å; I107-I110 PolarHBondContact O-N 3.46Å; I110-S112 PolarHBondContact O-N 2.9Å; I110-L113 PolarHBondContact O-N 3.44Å; I110-F114 HydrophobicContact CG2-CD2 4.38Å; I110-F114 CarbonylContact O-C 3.58Å; I110-F114 PolarHBondContact O-N 3.45Å; I110-L117 HydrophobicContact CG2-CD2 3.84Å; I110-V119 HydrophobicContact CB-CG2 4.36Å; I110-V119 HydrophobicContact CG2-CG2 3.6Å
111R98.6Very high98.1Very high76 Ų7638.7 Ų38.729%0.28720%0.198SC..Hα-helixtrans-60.2-34.4176.2-69.4-61.8-62.9133.9-6.3112.4I107 P115 V119 G163 H165I107-R111 HydrophobicContact CG2-CG 4.34Å; I107-R111 WeakPolarHBondContact O-CB 3.43Å; I107-R111 VanDerWaalsContact O-CG 3.23Å; I107-R111 WeakPolarHBondContact O-CG 3.41Å; I107-R111 PolarHBondContact O-N 3.26Å; R111-P115 PolarHBondContact NH1-O 3.36Å; R111-V119 HydrophobicContact CG-CG2 4.36Å; R111-G163 VanDerWaalsContact CD-O 3.31Å; R111-G163 WeakPolarHBondContact CD-O 3.4Å; R111-H165 WeakPolarHBondContact CD-CE1 3.31Å; R111-H165 PolarHBondContact NE-CE1 3.2Å; R111-H165 VanDerWaalsContact NE-CE1 3.25Å; R111-H165 PolarHBondContact NE-NE2 3.36Å; R111-H165 PolarHBondContact NH1-CE1 2.92Å; R111-H165 PolarHBondContact NH1-NE2 2.65Å; R111-H165 PolarHBondContact NH2-NE2 2.78Å
112S98.5Very high98.3Very high98 Ų9839.5 Ų39.569%0.68520%0.202SC*.Hα-helixtrans-73.7-40.9176.6-176.30000113.3K108 K109 I110K108-S112 PolarHBondContact O-N 2.91Å; K108-S112 VanDerWaalsContact O-N 3.14Å; K109-S112 PolarHBondContact O-N 3.38Å; I110-S112 PolarHBondContact O-N 2.9Å
113L98.5Very high98.5Very high48 Ų4839.4 Ų39.425%0.25120%0.201SC..Hα-helixtrans-83.8-39.4-175.1-69.9177000112.9E64 K109 I110 P115E64-L113 HydrophobicContact CB-CD1 3.63Å; E64-L113 HydrophobicContact CG-CD1 3.82Å; K109-L113 HydrophobicContact CD-CD1 4.08Å; K109-L113 HydrophobicContact CD-CG 4.43Å; K109-L113 HydrophobicContact CG-CD1 4.05Å; K109-L113 WeakPolarHBondContact O-CG 3.19Å; K109-L113 PolarHBondContact O-N 3.32Å; I110-L113 PolarHBondContact O-N 3.44Å; L113-P115 WeakPolarHBondContact O-CD 3.46Å
114F98.6Very high98.5Very high22 Ų2239.6 Ų39.610%0.09620%0.203CC..  trans-127.973.6-171.6-50.5-68.2000109.6E64 L67 Q68 V71 I110 E116 L117E64-F114 HydrophobicContact CG-CZ 4.44Å; L67-F114 HydrophobicContact CB-CD2 4.33Å; L67-F114 HydrophobicContact CB-CE2 3.68Å; L67-F114 HydrophobicContact CB-CZ 4.04Å; L67-F114 HydrophobicContact CD1-CD2 4.39Å; L67-F114 HydrophobicContact CD1-CE2 4.27Å; Q68-F114 HydrophobicContact CB-CE1 4.18Å; Q68-F114 HydrophobicContact CB-CZ 4.05Å; V71-F114 HydrophobicContact CB-CD1 4.33Å; V71-F114 HydrophobicContact CG1-CD1 4.18Å; V71-F114 HydrophobicContact CG2-CD1 4.03Å; V71-F114 HydrophobicContact CG2-CE1 4.36Å; V71-F114 HydrophobicContact CG2-CG 4.22Å; I110-F114 HydrophobicContact CG2-CD2 4.38Å; I110-F114 CarbonylContact O-C 3.58Å; I110-F114 PolarHBondContact O-N 3.45Å; F114-E116 PolarHBondContact O-N 2.91Å; F114-E116 VanDerWaalsContact O-N 3.14Å; F114-L117 HydrophobicContact CB-CB 3.68Å; F114-L117 HydrophobicContact CB-CD2 4.24Å; F114-L117 WeakPolarHBondContact O-CB 3.3Å; F114-L117 PolarHBondContact O-N 3.38Å
115P98Very high98.5Very high79 Ų7939.6 Ų39.651%0.51320%0.203SC..THydrogen-bonded Turntrans-62.2-24.7-172.423.5-34.3000114.1R111 L113R111-P115 PolarHBondContact NH1-O 3.36Å; L113-P115 WeakPolarHBondContact O-CD 3.46Å
116E98.3Very high98.3Very high182 Ų18236.6 Ų36.685%0.8519%0.188SC*.THydrogen-bonded Turntrans-87.7-11.4177.1-60.4-59.5121.800113.5F114F114-E116 PolarHBondContact O-N 2.91Å; F114-E116 VanDerWaalsContact O-N 3.14Å
117L98.8Very high98Very high5 Ų537.3 Ų37.33%0.02619%0.192CC..SBendtrans-77.5129-178.7-173.966.9000110.3L67 V71 L75 K76 V78 I110 F114L67-L117 HydrophobicContact CD1-CD2 4.17Å; V71-L117 HydrophobicContact CG2-CD1 4.24Å; V71-L117 HydrophobicContact CG2-CD2 4.08Å; L75-L117 HydrophobicContact CD2-CD1 4.41Å; L75-L117 HydrophobicContact CG-CD1 4.11Å; K76-L117 VanDerWaalsContact C-CD1 3.45Å; K76-L117 WeakPolarHBondContact O-CD1 3.27Å; V78-L117 HydrophobicContact CG1-CD2 4.07Å; V78-L117 HydrophobicContact CG2-CD2 4.14Å; I110-L117 HydrophobicContact CG2-CD2 3.84Å; F114-L117 HydrophobicContact CB-CB 3.68Å; F114-L117 HydrophobicContact CB-CD2 4.24Å; F114-L117 WeakPolarHBondContact O-CB 3.3Å; F114-L117 PolarHBondContact O-N 3.38Å
118L98.9Very high97.8Very high71 Ų7137.6 Ų37.637%0.37219%0.193SC..EExtended strand (participates in β ladder)trans-74.4132.5175.6-163.866.1000109.9K76 C77 V78 H165 I166K76-L118 VanDerWaalsContact O-CB 3.25Å; K76-L118 WeakPolarHBondContact O-CB 3.35Å; K76-L118 PolarHBondContact O-N 3.05Å; C77-L118 VanDerWaalsContact CA-O 3.31Å; C77-L118 WeakPolarHBondContact CA-O 3.34Å; C77-L118 HydrophobicContact CB-CB 3.9Å; C77-L118 HydrophobicContact CB-CD2 4.3Å; V78-L118 PolarHBondContact N-O 2.97Å; V78-L118 VanDerWaalsContact N-O 3.07Å; L118-H165 HydrophobicContact CD1-CB 3.6Å; L118-H165 HydrophobicContact CG-CB 4.42Å; L118-I166 HydrophobicContact CD1-CD1 4.46Å; L118-I166 HydrophobicContact CD2-CD1 3.49Å; L118-I166 VanDerWaalsContact CD2-CD1 3.49Å; L118-I166 HydrophobicContact CD2-CG1 4.46Å; L118-I166 HydrophobicContact CG-CD1 3.88Å; L118-I166 HydrophobicContact CG-CG1 4.45Å
119V98.9Very high97.6Very high0 Ų033.4 Ų33.40%018%0.175CC..EExtended strand (participates in β ladder)trans-117.3107.4-172.4-177.30000108.2I80 I107 I110 R111 C164 H165 I166I80-V119 HydrophobicContact CD1-CG1 3.58Å; I107-V119 HydrophobicContact CG1-CG1 4.13Å; I107-V119 HydrophobicContact CG2-CG1 4.47Å; I110-V119 HydrophobicContact CB-CG2 4.36Å; I110-V119 HydrophobicContact CG2-CG2 3.6Å; R111-V119 HydrophobicContact CG-CG2 4.36Å; V119-C164 PolarHBondContact O-SG 2.95Å; V119-H165 PolarHBondContact N-ND1 2.87Å; V119-H165 VanDerWaalsContact N-ND1 3.11Å; V119-H165 PolarHBondContact O-N 2.92Å; V119-I166 PolarHBondContact O-N 2.81Å; V119-I166 VanDerWaalsContact O-N 3.09Å
120A98.9Very high97.3Very high0 Ų033 Ų330%018%0.182CC..EExtended strand (participates in β ladder)trans-100.4148.2169.300000110.3V78 L79 I80 I166V78-A120 WeakPolarHBondContact O-CA 3.47Å; V78-A120 WeakPolarHBondContact O-CB 3.49Å; V78-A120 PolarHBondContact O-N 3.15Å; L79-A120 WeakPolarHBondContact CA-O 3.3Å; L79-A120 HydrophobicContact CB-CB 4.43Å; L79-A120 HydrophobicContact CD1-CB 3.81Å; I80-A120 PolarHBondContact N-O 3.4Å; A120-I166 CarbonylContact C-O 3.54Å; A120-I166 VanDerWaalsContact CA-O 3.22Å; A120-I166 WeakPolarHBondContact CA-O 3.46Å; A120-I166 HydrophobicContact CB-CB 3.77Å; A120-I166 HydrophobicContact CB-CD1 4.44Å; A120-I166 HydrophobicContact CB-CG2 4.18Å
121C98.8Very high97.1Very high0 Ų033.8 Ų33.80%019%0.185CC..EExtended strand (participates in β ladder)trans-134.2134.1175.2-163.30000111.2I80 I107 Y159 C164 I166 A168I80-C121 HydrophobicContact CB-CB 4.44Å; I107-C121 HydrophobicContact CD1-CB 4.19Å; C121-Y159 HydrophobicContact CB-CD2 3.86Å; C121-Y159 HydrophobicContact CB-CE2 4.35Å; C121-Y159 WeakPolarHBondContact SG-CD2 3.33Å; C121-Y159 WeakPolarHBondContact SG-CE2 3.43Å; C121-C164 VanDerWaalsContact CB-SG 3.59Å; C121-I166 PolarHBondContact N-O 2.74Å; C121-A168 PolarHBondContact O-N 3.43Å
122D98.8Very high96.7Very high16 Ų1630.4 Ų30.49%0.08617%0.174CC..EExtended strand (participates in β ladder)trans-69.9128173.5-165.985.2000109.9L79 I80 F81 Y159 A168 S170 Y198L79-D122 HydrophobicContact CD1-CB 4.49Å; I80-D122 PolarHBondContact O-N 3.18Å; F81-D122 HydrophobicContact CD1-CB 3.61Å; F81-D122 HydrophobicContact CE1-CB 3.46Å; F81-D122 VanDerWaalsContact CE1-CB 3.46Å; F81-D122 WeakPolarHBondContact CE1-OD1 3.09Å; F81-D122 HydrophobicContact CG-CB 4.39Å; F81-D122 HydrophobicContact CZ-CB 4.12Å; D122-Y159 WeakPolarHBondContact O-CE2 2.74Å; D122-A168 WeakPolarHBondContact CA-O 3.21Å; D122-S170 WeakPolarHBondContact OD1-CB 3.24Å; D122-S170 PolarHBondContact OD1-OG 3.25Å; D122-S170 PolarHBondContact OD2-OG 3.39Å; D122-Y198 WeakPolarHBondContact OD1-CE2 3.29Å; D122-Y198 PolarHBondContact OD1-OH 2.87Å
123V98.6Very high96.5Very high0 Ų026.4 Ų26.40%014%0.144CC..EExtended strand (participates in β ladder)trans-108.6115.2174.7172.20000109.3L152 V155 A156 Y159 I167 A168 P169 S170V123-L152 HydrophobicContact CG1-CB 4.47Å; V123-L152 HydrophobicContact CG1-CD2 3.94Å; V123-V155 HydrophobicContact CG1-CB 4.24Å; V123-V155 HydrophobicContact CG1-CG1 4.13Å; V123-V155 HydrophobicContact CG2-CG1 4.47Å; V123-A156 HydrophobicContact CG1-CB 4.42Å; V123-A156 HydrophobicContact CG2-CB 4.3Å; V123-Y159 HydrophobicContact CG2-CD2 3.67Å; V123-Y159 HydrophobicContact CG2-CE2 3.94Å; V123-I167 HydrophobicContact CB-CG2 4.23Å; V123-I167 HydrophobicContact CG2-CD1 4.29Å; V123-I167 HydrophobicContact CG2-CG2 3.61Å; V123-A168 PolarHBondContact N-O 3.39Å; V123-P169 WeakPolarHBondContact O-CA 3.48Å; V123-S170 PolarHBondContact O-N 2.98Å
124C97.7Very high96.4Very high4 Ų424.1 Ų24.13%0.02713%0.132CC..  trans-165.5154.5179.2-165.30000110.1C134C124-C134 PolarHBondContact SG-SG 2.92Å
125L97.1Very high96.3Very high0 Ų023 Ų230%013%0.128CC..SBendtrans-94.1-11.2178.6-53.9-177.7000113.5A96 P127 Y128 T129 I136 R151 L152 V155A96-L125 HydrophobicContact CB-CD2 4.31Å; L125-P127 VanDerWaalsContact C-CD 3.41Å; L125-Y128 PolarHBondContact O-N 3.26Å; L125-T129 HydrophobicContact CB-CG2 3.83Å; L125-T129 WeakPolarHBondContact O-CG2 3.4Å; L125-T129 PolarHBondContact O-N 2.88Å; L125-T129 PolarHBondContact O-OG1 3.41Å; L125-T129 VanDerWaalsContact O-OG1 3.13Å; L125-I136 HydrophobicContact CD1-CG1 4.17Å; L125-R151 HydrophobicContact CD1-CB 4.15Å; L125-R151 HydrophobicContact CD1-CG 3.58Å; L125-R151 HydrophobicContact CD2-CG 3.83Å; L125-R151 HydrophobicContact CG-CG 4.36Å; L125-L152 HydrophobicContact CD2-CD2 4.36Å; L125-L152 HydrophobicContact CG-CD2 4.04Å; L125-L152 HydrophobicContact CG-CG 4.47Å; L125-V155 HydrophobicContact CD2-CG2 4.01Å
126C93.9Very high96.3Very high7 Ų720.8 Ų20.85%0.04711%0.111CC..THydrogen-bonded Turntrans-63-29.5-17267.80000116.4Y128 G132 H133 R223C126-Y128 VanDerWaalsContact C-N 3.26Å; C126-Y128 PolarHBondContact O-N 2.96Å; C126-G132 WeakPolarHBondContact CB-O 3.47Å; C126-H133 VanDerWaalsContact CA-O 3.23Å; C126-H133 WeakPolarHBondContact CA-O 3.4Å; C126-H133 WeakPolarHBondContact CB-O 3.17Å; C126-H133 PolarHBondContact N-O 2.74Å; C126-R223 VanDerWaalsContact CB-NH2 3.35Å
127P91.8Very high96.2Very high14 Ų1413.7 Ų13.79%0.0918%0.079CC..THydrogen-bonded Turntrans-71.8-23.7174-16.132.7000112.6P84 K89 L125P84-P127 HydrophobicContact CG-CB 4.25Å; P84-P127 WeakPolarHBondContact CG-O 3.37Å; K89-P127 WeakPolarHBondContact CE-O 3.45Å; K89-P127 PolarHBondContact NZ-O 3.27Å; L125-P127 VanDerWaalsContact C-CD 3.41Å
128Y94.5Very high96Very high6 Ų616.3 Ų16.32%0.0249%0.093CC..THydrogen-bonded Turntrans-108.1-12-167.8-56.3-83.3000113.8P84 K89 D90 G95 A96 L125 C126P84-Y128 HydrophobicContact CB-CD1 4.29Å; P84-Y128 HydrophobicContact CB-CE1 4.04Å; P84-Y128 HydrophobicContact CG-CD1 3.64Å; P84-Y128 HydrophobicContact CG-CE1 3.54Å; P84-Y128 HydrophobicContact CG-CG 4.39Å; K89-Y128 VanDerWaalsContact CA-O 3.27Å; K89-Y128 WeakPolarHBondContact CA-O 3.37Å; K89-Y128 WeakPolarHBondContact CB-O 3.32Å; D90-Y128 PolarHBondContact N-O 2.93Å; G95-Y128 VanDerWaalsContact C-CD1 3.47Å; G95-Y128 WeakPolarHBondContact O-CD1 3.48Å; G95-Y128 WeakPolarHBondContact O-CE1 3.35Å; A96-Y128 HydrophobicContact CB-CD1 4.18Å; A96-Y128 HydrophobicContact CB-CD2 3.55Å; A96-Y128 HydrophobicContact CB-CE2 4.03Å; A96-Y128 HydrophobicContact CB-CG 3.66Å; L125-Y128 PolarHBondContact O-N 3.26Å; C126-Y128 VanDerWaalsContact C-N 3.26Å; C126-Y128 PolarHBondContact O-N 2.96Å
129T94.8Very high95.8Very high1 Ų123 Ų231%0.00612%0.122CC..BIsolated β-bridgetrans-92.1143.718052.10000112.9D90 L125 H131 G132 H133D90-T129 CarbonylContact O-C 3.45Å; D90-T129 WeakPolarHBondContact O-CA 3.38Å; L125-T129 HydrophobicContact CB-CG2 3.83Å; L125-T129 WeakPolarHBondContact O-CG2 3.4Å; L125-T129 PolarHBondContact O-N 2.88Å; L125-T129 PolarHBondContact O-OG1 3.41Å; L125-T129 VanDerWaalsContact O-OG1 3.13Å; T129-H131 VanDerWaalsContact C-N 3.26Å; T129-H131 WeakPolarHBondContact CB-CE1 3.47Å; T129-H131 WeakPolarHBondContact CB-ND1 3.45Å; T129-H131 PolarHBondContact O-N 2.89Å; T129-H131 PolarHBondContact OG1-CE1 2.99Å; T129-H131 PolarHBondContact OG1-ND1 3.38Å; T129-G132 PolarHBondContact O-N 3.3Å; T129-G132 PolarHBondContact OG1-N 2.9Å; T129-H133 PolarHBondContact OG1-O 2.73Å; T129-H133 VanDerWaalsContact OG1-O 3.09Å
130S93.3Very high95.5Very high65 Ų6529 Ų2946%0.45515%0.154SC..THydrogen-bonded Turntrans-61.9-34.5178.457.80000112.2D90D90-S130 PolarHBondContact O-N 3.07Å
131H93.1Very high95.2Very high16 Ų1630.6 Ų30.67%0.07417%0.171CC..THydrogen-bonded Turntrans-84.1-16.1178.252.449.8000114.5E91 T129 H133 G135 L137 A219 F220E91-H131 PolarHBondContact O-NE2 3.08Å; T129-H131 VanDerWaalsContact C-N 3.26Å; T129-H131 WeakPolarHBondContact CB-CE1 3.47Å; T129-H131 WeakPolarHBondContact CB-ND1 3.45Å; T129-H131 PolarHBondContact O-N 2.89Å; T129-H131 PolarHBondContact OG1-CE1 2.99Å; T129-H131 PolarHBondContact OG1-ND1 3.38Å; H131-H133 VanDerWaalsContact C-N 3.26Å; H131-H133 PolarHBondContact ND1-N 3.19Å; H131-H133 PolarHBondContact O-N 3.11Å; H131-G135 PolarHBondContact CE1-O 2.72Å; H131-L137 HydrophobicContact CB-CD1 4.16Å; H131-A219 WeakPolarHBondContact O-CB 3.31Å; H131-A219 PolarHBondContact O-N 2.92Å; H131-F220 HydrophobicContact CB-CE1 3.81Å; H131-F220 HydrophobicContact CB-CZ 4.36Å
132G91.6Very high94.9Very high5 Ų532.9 Ų32.95%0.05219%0.187CC..  trans71.97.5177.900000116.4C126 T129 R223C126-G132 WeakPolarHBondContact CB-O 3.47Å; T129-G132 PolarHBondContact O-N 3.3Å; T129-G132 PolarHBondContact OG1-N 2.9Å; G132-R223 PolarHBondContact O-NH2 3.34Å
133H94.5Very high94.8Very high13 Ų1334.3 Ų34.36%0.0619%0.194CC..  trans-74.6160.1166.4-70.8-94.2000112.4C126 T129 H131 G135 L137 F220 D222 Y226C126-H133 VanDerWaalsContact CA-O 3.23Å; C126-H133 WeakPolarHBondContact CA-O 3.4Å; C126-H133 WeakPolarHBondContact CB-O 3.17Å; C126-H133 PolarHBondContact N-O 2.74Å; T129-H133 PolarHBondContact OG1-O 2.73Å; T129-H133 VanDerWaalsContact OG1-O 3.09Å; H131-H133 VanDerWaalsContact C-N 3.26Å; H131-H133 PolarHBondContact ND1-N 3.19Å; H131-H133 PolarHBondContact O-N 3.11Å; H133-G135 VanDerWaalsContact C-N 3.31Å; H133-G135 PolarHBondContact O-N 3.13Å; H133-L137 HydrophobicContact CB-CD2 4.23Å; H133-F220 AromaticContact NE2-CD2 3.96Å; H133-F220 AromaticContact NE2-CE2 3.73Å; H133-F220 AromaticContact NE2-CZ 3.98Å; H133-F220 PolarHBondContact NE2-O 3.36Å; H133-D222 PolarHBondContact CE1-O 2.92Å; H133-Y226 AromaticContact ND1-CE1 3.99Å
134C95.2Very high94.7Very high0 Ų036.7 Ų36.70%021%0.207CC..SBendtrans-80.6-7.5-174-680000114.8C124 D171 M173 Y226C124-C134 PolarHBondContact SG-SG 2.92Å; C134-D171 HydrophobicContact CB-CB 4.16Å; C134-M173 HydrophobicContact CB-CE 3.94Å; C134-Y226 HydrophobicContact CB-CD2 4.49Å; C134-Y226 HydrophobicContact CB-CE2 3.8Å
135G96.4Very high94.7Very high0 Ų038.8 Ų38.80%022%0.218CC..SBendtrans-141.6177.8-177.900000111.3H131 H133 S148H131-G135 PolarHBondContact CE1-O 2.72Å; H133-G135 VanDerWaalsContact C-N 3.31Å; H133-G135 PolarHBondContact O-N 3.13Å; G135-S148 WeakPolarHBondContact CA-OG 3.37Å
136I97.7Very high94.7Very high32 Ų3244.5 Ų44.516%0.16425%0.249CC..PPolyproline II helixtrans-74.8141173.6-62.1-179.5000109.1R92 L125 N144 A147 S148 R151R92-I136 HydrophobicContact CB-CD1 4.33Å; L125-I136 HydrophobicContact CD1-CG1 4.17Å; I136-N144 HydrophobicContact CG2-CB 4.29Å; I136-N144 PolarHBondContact O-N 3.07Å; I136-A147 HydrophobicContact CB-CB 4.36Å; I136-A147 HydrophobicContact CD1-CB 4.04Å; I136-A147 HydrophobicContact CG2-CB 4.3Å; I136-S148 PolarHBondContact N-OG 3.09Å; I136-S148 PolarHBondContact O-OG 2.95Å; I136-R151 HydrophobicContact CD1-CB 3.85Å; I136-R151 HydrophobicContact CD1-CG 4.16Å
137L96.4Very high94.9Very high32 Ų3245.6 Ų45.617%0.16826%0.258CS..BIsolated β-bridgetrans-103150.1179.4-55.5-177.8000111.6H131 H133 S142 L143 F220H131-L137 HydrophobicContact CB-CD1 4.16Å; H133-L137 HydrophobicContact CB-CD2 4.23Å; L137-S142 CarbonylContact C-O 3.43Å; L137-S142 VanDerWaalsContact CA-O 3.25Å; L137-S142 WeakPolarHBondContact CA-O 3.41Å; L137-L143 HydrophobicContact CD2-CD2 3.8Å; L137-L143 HydrophobicContact CD2-CG 4.3Å; L137-F220 HydrophobicContact CD1-CE1 4.49Å; L137-F220 HydrophobicContact CD1-CE2 4.4Å; L137-F220 HydrophobicContact CD1-CZ 3.63Å
138N96.1Very high95.2Very high60 Ų6044.9 Ų44.932%0.32125%0.253SS..PPolyproline II helixtrans-77169.7163.3-63.7-49.6000110D140 G141 S142 L143 N144N138-D140 WeakPolarHBondContact CB-OD1 3.5Å; N138-D140 PolarHBondContact O-N 3.23Å; N138-G141 PolarHBondContact O-N 3.2Å; N138-S142 PolarHBondContact N-O 2.84Å; N138-S142 PolarHBondContact ND2-OG 2.94Å; N138-L143 PolarHBondContact ND2-O 3.2Å; N138-N144 VanDerWaalsContact OD1-CB 3.32Å; N138-N144 WeakPolarHBondContact OD1-CB 3.4Å; N138-N144 PolarHBondContact OD1-ND2 3.2Å
139E93.4Very high95.4Very high211 Ų21145 Ų4599%0.98626%0.255SS*.THydrogen-bonded Turntrans-58.5-30.2177.8-64.1-178.5175.700113.3G141E139-G141 PolarHBondContact O-N 2.83Å
140D93.1Very high95.6Very high126 Ų12650.6 Ų50.667%0.67428%0.284SS*.THydrogen-bonded Turntrans-80.31.3176.873.7-12.2000113.8N138 S142N138-D140 WeakPolarHBondContact CB-OD1 3.5Å; N138-D140 PolarHBondContact O-N 3.23Å; D140-S142 VanDerWaalsContact C-N 3.29Å; D140-S142 PolarHBondContact O-N 3.1Å; D140-S142 WeakPolarHBondContact OD1-CB 3.29Å; D140-S142 PolarHBondContact OD1-N 3.06Å; D140-S142 PolarHBondContact OD1-OG 2.94Å; D140-S142 PolarHBondContact OD2-OG 3.2Å
141G91.6Very high95.9Very high34 Ų3447.8 Ų47.835%0.35126%0.264SS..SBendtrans80.50.9-178.300000114.9N138 E139N138-G141 PolarHBondContact O-N 3.2Å; E139-G141 PolarHBondContact O-N 2.83Å
142S93.8Very high96.1Very high49 Ų4947 Ų4734%0.34326%0.26SS..  trans-73162.4170.670.40000111.4L137 N138 D140L137-S142 CarbonylContact C-O 3.43Å; L137-S142 VanDerWaalsContact CA-O 3.25Å; L137-S142 WeakPolarHBondContact CA-O 3.41Å; N138-S142 PolarHBondContact N-O 2.84Å; N138-S142 PolarHBondContact ND2-OG 2.94Å; D140-S142 VanDerWaalsContact C-N 3.29Å; D140-S142 PolarHBondContact O-N 3.1Å; D140-S142 WeakPolarHBondContact OD1-CB 3.29Å; D140-S142 PolarHBondContact OD1-N 3.06Å; D140-S142 PolarHBondContact OD1-OG 2.94Å; D140-S142 PolarHBondContact OD2-OG 3.2Å
143L95.3Very high96.5Very high45 Ų4547 Ų4724%0.23626%0.26CS..BIsolated β-bridgetrans-74.3129.5178.3-77.2163.4000111.3L137 N138 N145 M173 Y226L137-L143 HydrophobicContact CD2-CD2 3.8Å; L137-L143 HydrophobicContact CD2-CG 4.3Å; N138-L143 PolarHBondContact ND2-O 3.2Å; L143-N145 PolarHBondContact O-N 2.87Å; L143-M173 HydrophobicContact CD1-CE 3.76Å; L143-M173 HydrophobicContact CD1-SD 3.75Å; L143-M173 HydrophobicContact CD2-CE 3.55Å; L143-M173 HydrophobicContact CD2-SD 3.84Å; L143-M173 HydrophobicContact CG-CE 4.31Å; L143-M173 HydrophobicContact CG-SD 4.28Å; L143-Y226 HydrophobicContact CD1-CD1 3.6Å; L143-Y226 HydrophobicContact CD1-CE1 4.33Å; L143-Y226 HydrophobicContact CD1-CG 4.07Å
144N97.6Very high96.7Very high51 Ų5150.5 Ų50.527%0.27328%0.276SS..  trans-85.991.8164.6-168.4-42.1000109I136 N138 D146 A147 S148I136-N144 HydrophobicContact CG2-CB 4.29Å; I136-N144 PolarHBondContact O-N 3.07Å; N138-N144 VanDerWaalsContact OD1-CB 3.32Å; N138-N144 WeakPolarHBondContact OD1-CB 3.4Å; N138-N144 PolarHBondContact OD1-ND2 3.2Å; N144-D146 PolarHBondContact O-N 2.9Å; N144-A147 HydrophobicContact CB-CB 4.17Å; N144-A147 VanDerWaalsContact OD1-CB 3.23Å; N144-A147 WeakPolarHBondContact OD1-CB 3.48Å; N144-A147 PolarHBondContact OD1-N 3.32Å; N144-A147 VanDerWaalsContact OD1-N 3.1Å; N144-S148 VanDerWaalsContact O-CB 3.24Å; N144-S148 WeakPolarHBondContact O-CB 3.27Å; N144-S148 PolarHBondContact O-N 2.96Å; N144-S148 PolarHBondContact O-OG 2.9Å
145N97.3Very high96.8Very high47 Ų4750.5 Ų50.525%0.25128%0.276SS..Hα-helixtrans-63.8-44-170.9-172.880.3000113.2L143 S148 C149 D174L143-N145 PolarHBondContact O-N 2.87Å; N145-S148 WeakPolarHBondContact O-CB 3.41Å; N145-S148 PolarHBondContact O-N 2.93Å; N145-C149 PolarHBondContact O-N 3.2Å; N145-C149 PolarHBondContact O-SG 3.28Å; N145-D174 PolarHBondContact ND2-O 2.82Å; N145-D174 PolarHBondContact OD1-N 3.05Å; N145-D174 PolarHBondContact OD1-O 3.16Å
146D97.5Very high97Very high121 Ų12150.5 Ų50.565%0.64728%0.276SS*.Hα-helixtrans-68-46.7-176.9-69.9-16000111.4N144 S148 C149 L150N144-D146 PolarHBondContact O-N 2.9Å; D146-S148 VanDerWaalsContact C-N 3.28Å; D146-S148 PolarHBondContact O-N 3.27Å; D146-C149 PolarHBondContact O-N 2.94Å; D146-L150 WeakPolarHBondContact O-CG 3.28Å; D146-L150 PolarHBondContact O-N 3.08Å; D146-L150 VanDerWaalsContact O-N 3.08Å
147A98.1Very high97Very high29 Ų2950.1 Ų50.124%0.2427%0.274CS..Hα-helixtrans-61.4-39.317500000111.4I136 N144 R151I136-A147 HydrophobicContact CB-CB 4.36Å; I136-A147 HydrophobicContact CD1-CB 4.04Å; I136-A147 HydrophobicContact CG2-CB 4.3Å; N144-A147 HydrophobicContact CB-CB 4.17Å; N144-A147 VanDerWaalsContact OD1-CB 3.23Å; N144-A147 WeakPolarHBondContact OD1-CB 3.48Å; N144-A147 PolarHBondContact OD1-N 3.32Å; N144-A147 VanDerWaalsContact OD1-N 3.1Å; A147-R151 WeakPolarHBondContact O-CB 3.49Å; A147-R151 PolarHBondContact O-N 3.4Å
148S98.6Very high97.1Very high0 Ų049.4 Ų49.40%027%0.272CS..Hα-helixtrans-61-47.8175.9-61.70000111.9G135 I136 N144 N145 D146 L150 R151 L152G135-S148 WeakPolarHBondContact CA-OG 3.37Å; I136-S148 PolarHBondContact N-OG 3.09Å; I136-S148 PolarHBondContact O-OG 2.95Å; N144-S148 VanDerWaalsContact O-CB 3.24Å; N144-S148 WeakPolarHBondContact O-CB 3.27Å; N144-S148 PolarHBondContact O-N 2.96Å; N144-S148 PolarHBondContact O-OG 2.9Å; N145-S148 WeakPolarHBondContact O-CB 3.41Å; N145-S148 PolarHBondContact O-N 2.93Å; D146-S148 VanDerWaalsContact C-N 3.28Å; D146-S148 PolarHBondContact O-N 3.27Å; S148-L150 PolarHBondContact O-N 3.33Å; S148-R151 PolarHBondContact O-N 3.23Å; S148-L152 WeakPolarHBondContact O-CB 3.12Å; S148-L152 WeakPolarHBondContact O-CD1 3.31Å; S148-L152 WeakPolarHBondContact O-CG 3.37Å; S148-L152 PolarHBondContact O-N 3.35Å
149C98.7Very high97.2Very high9 Ų946.7 Ų46.76%0.06126%0.257CS..Hα-helixtrans-64.2-40.7-178.7-70.30000112.3N145 D146 A153 D174 A179N145-C149 PolarHBondContact O-N 3.2Å; N145-C149 PolarHBondContact O-SG 3.28Å; D146-C149 PolarHBondContact O-N 2.94Å; C149-A153 WeakPolarHBondContact O-CB 3.11Å; C149-A153 PolarHBondContact O-N 3.07Å; C149-D174 PolarHBondContact SG-O 3.35Å; C149-A179 HydrophobicContact CB-CB 4.06Å
150L98.5Very high97.5Very high118 Ų11836.9 Ų36.962%0.61821%0.213SC*.Hα-helixtrans-61.3-49.8174.6-69.8172.5000110.9D146 S148 L152 A153 E154D146-L150 WeakPolarHBondContact O-CG 3.28Å; D146-L150 PolarHBondContact O-N 3.08Å; D146-L150 VanDerWaalsContact O-N 3.08Å; S148-L150 PolarHBondContact O-N 3.33Å; L150-L152 PolarHBondContact O-N 3.24Å; L150-A153 WeakPolarHBondContact O-CB 3.27Å; L150-A153 PolarHBondContact O-N 2.99Å; L150-A153 VanDerWaalsContact O-N 3.11Å; L150-E154 PolarHBondContact O-N 2.91Å
151R98.7Very high97.7Very high5 Ų537 Ų372%0.01921%0.209CC..Hα-helixtrans-61-42.4179.4-17867.4-163.9113.51.8112.4R92 G93 D97 L125 I136 A147 S148 A153 E154 V155R92-R151 WeakPolarHBondContact O-CD 3.15Å; R92-R151 PolarHBondContact O-NE 3.31Å; G93-R151 PolarHBondContact O-NH2 3.43Å; D97-R151 VanDerWaalsContact CG-NH1 3.33Å; D97-R151 VanDerWaalsContact CG-NH2 3.26Å; D97-R151 IonicContact OD1-CZ 2.61Å; D97-R151 IonicContact OD1-NH1 3.73Å; D97-R151 IonicContact OD1-NH2 2.77Å; D97-R151 PolarHBondContact OD1-NH2 2.94Å; D97-R151 IonicContact OD2-CZ 3.71Å; D97-R151 IonicContact OD2-NH1 2.95Å; D97-R151 PolarHBondContact OD2-NH1 3.18Å; D97-R151 IonicContact OD2-NH2 3.24Å; D97-R151 PolarHBondContact OD2-NH2 3.3Å; L125-R151 HydrophobicContact CD1-CB 4.15Å; L125-R151 HydrophobicContact CD1-CG 3.58Å; L125-R151 HydrophobicContact CD2-CG 3.83Å; L125-R151 HydrophobicContact CG-CG 4.36Å; I136-R151 HydrophobicContact CD1-CB 3.85Å; I136-R151 HydrophobicContact CD1-CG 4.16Å; A147-R151 WeakPolarHBondContact O-CB 3.49Å; A147-R151 PolarHBondContact O-N 3.4Å; S148-R151 PolarHBondContact O-N 3.23Å; R151-A153 VanDerWaalsContact C-N 3.29Å; R151-A153 PolarHBondContact O-N 3.04Å; R151-E154 WeakPolarHBondContact CD-OE2 3.32Å; R151-E154 IonicContact CZ-OE2 3.76Å; R151-E154 IonicContact NE-OE2 3.51Å; R151-E154 IonicContact NH1-OE2 2.82Å; R151-E154 PolarHBondContact NH1-OE2 2.91Å; R151-E154 WeakPolarHBondContact O-CB 3.43Å; R151-E154 PolarHBondContact O-N 3.04Å; R151-V155 WeakPolarHBondContact O-CG2 3.4Å; R151-V155 PolarHBondContact O-N 2.94Å; R151-V155 VanDerWaalsContact O-N 3.14Å
152L98.8Very high98.1Very high0 Ų036.1 Ų36.10%020%0.198CC..Hα-helixtrans-63.5-35.3176.2-72.1161.3000112V123 L125 S148 L150 V155 A156 D171 M173 R176V123-L152 HydrophobicContact CG1-CB 4.47Å; V123-L152 HydrophobicContact CG1-CD2 3.94Å; L125-L152 HydrophobicContact CD2-CD2 4.36Å; L125-L152 HydrophobicContact CG-CD2 4.04Å; L125-L152 HydrophobicContact CG-CG 4.47Å; S148-L152 WeakPolarHBondContact O-CB 3.12Å; S148-L152 WeakPolarHBondContact O-CD1 3.31Å; S148-L152 WeakPolarHBondContact O-CG 3.37Å; S148-L152 PolarHBondContact O-N 3.35Å; L150-L152 PolarHBondContact O-N 3.24Å; L152-V155 PolarHBondContact O-N 3.21Å; L152-A156 WeakPolarHBondContact O-CB 3.35Å; L152-A156 PolarHBondContact O-N 2.87Å; L152-D171 HydrophobicContact CD1-CB 3.75Å; L152-D171 WeakPolarHBondContact CD1-OD2 3.45Å; L152-D171 HydrophobicContact CD2-CB 4.08Å; L152-M173 HydrophobicContact CD1-CB 4.45Å; L152-M173 HydrophobicContact CD1-CG 4.11Å; L152-R176 HydrophobicContact CD1-CB 4.17Å
153A98.8Very high98.3Very high6 Ų635.1 Ų35.15%0.0520%0.195CC..Hα-helixtrans-70.1-33176.500000113C149 L150 R151 L157 A179 I180C149-A153 WeakPolarHBondContact O-CB 3.11Å; C149-A153 PolarHBondContact O-N 3.07Å; L150-A153 WeakPolarHBondContact O-CB 3.27Å; L150-A153 PolarHBondContact O-N 2.99Å; L150-A153 VanDerWaalsContact O-N 3.11Å; R151-A153 VanDerWaalsContact C-N 3.29Å; R151-A153 PolarHBondContact O-N 3.04Å; A153-L157 WeakPolarHBondContact O-CB 3.34Å; A153-L157 PolarHBondContact O-N 3.1Å; A153-A179 HydrophobicContact CB-CB 4.12Å; A153-I180 HydrophobicContact CB-CG1 4.29Å
154E98.7Very high98.4Very high85 Ų8533.1 Ų33.140%0.39719%0.185SC..Hα-helixtrans-63.6-48.4171-66.1167.4175.100111.1R92 L150 R151 A156 L157 S158R92-E154 IonicContact NH2-OE2 2.72Å; L150-E154 PolarHBondContact O-N 2.91Å; R151-E154 WeakPolarHBondContact CD-OE2 3.32Å; R151-E154 IonicContact CZ-OE2 3.76Å; R151-E154 IonicContact NE-OE2 3.51Å; R151-E154 IonicContact NH1-OE2 2.82Å; R151-E154 PolarHBondContact NH1-OE2 2.91Å; R151-E154 WeakPolarHBondContact O-CB 3.43Å; R151-E154 PolarHBondContact O-N 3.04Å; E154-A156 PolarHBondContact O-N 2.61Å; E154-L157 PolarHBondContact O-N 2.77Å; E154-S158 PolarHBondContact O-N 3.35Å
155V98.7Very high98.5Very high0 Ų032.8 Ų32.80%018%0.182CC..Hα-helixtrans-61-46.6177.7178.50000111.4A96 D97 V123 L125 R151 L152 L157 S158 Y159A96-V155 HydrophobicContact CB-CG1 4.25Å; A96-V155 HydrophobicContact CB-CG2 3.65Å; D97-V155 HydrophobicContact CB-CB 4.39Å; D97-V155 HydrophobicContact CB-CG2 4.1Å; V123-V155 HydrophobicContact CG1-CB 4.24Å; V123-V155 HydrophobicContact CG1-CG1 4.13Å; V123-V155 HydrophobicContact CG2-CG1 4.47Å; L125-V155 HydrophobicContact CD2-CG2 4.01Å; R151-V155 WeakPolarHBondContact O-CG2 3.4Å; R151-V155 PolarHBondContact O-N 2.94Å; R151-V155 VanDerWaalsContact O-N 3.14Å; L152-V155 PolarHBondContact O-N 3.21Å; V155-L157 VanDerWaalsContact C-N 3.29Å; V155-L157 PolarHBondContact O-N 2.95Å; V155-S158 PolarHBondContact O-N 3.26Å; V155-Y159 HydrophobicContact CG1-CD2 4.28Å; V155-Y159 HydrophobicContact CG1-CE1 4.08Å; V155-Y159 HydrophobicContact CG1-CE2 3.8Å; V155-Y159 PolarHBondContact O-N 2.82Å
156A98.8Very high98.6Very high0 Ų030.9 Ų30.90%017%0.172CC..Hα-helixtrans-57.3-42.5175.600000112.4V123 L152 E154 A160 I167 I180V123-A156 HydrophobicContact CG1-CB 4.42Å; V123-A156 HydrophobicContact CG2-CB 4.3Å; L152-A156 WeakPolarHBondContact O-CB 3.35Å; L152-A156 PolarHBondContact O-N 2.87Å; E154-A156 PolarHBondContact O-N 2.61Å; A156-A160 VanDerWaalsContact O-CB 3.28Å; A156-A160 WeakPolarHBondContact O-CB 3.43Å; A156-A160 PolarHBondContact O-N 2.56Å; A156-I167 HydrophobicContact CB-CG1 4.38Å; A156-I167 HydrophobicContact CB-CG2 3.76Å; A156-I167 WeakPolarHBondContact O-CD1 3.25Å; A156-I180 HydrophobicContact CB-CB 4.43Å; A156-I180 HydrophobicContact CB-CD1 4.3Å; A156-I180 HydrophobicContact CB-CG1 3.9Å; A156-I180 HydrophobicContact CB-CG2 3.82Å
157L98.7Very high98.6Very high24 Ų2425.1 Ų25.113%0.12614%0.141CC..Hα-helixtrans-65.7-43.3178.4179.262.3000111.7A153 E154 V155 Y159 A160 Q161 N187 L189A153-L157 WeakPolarHBondContact O-CB 3.34Å; A153-L157 PolarHBondContact O-N 3.1Å; E154-L157 PolarHBondContact O-N 2.77Å; V155-L157 VanDerWaalsContact C-N 3.29Å; V155-L157 PolarHBondContact O-N 2.95Å; L157-Y159 PolarHBondContact O-N 3.36Å; L157-A160 WeakPolarHBondContact O-CB 3.34Å; L157-A160 PolarHBondContact O-N 3.35Å; L157-Q161 HydrophobicContact CD1-CG 4.22Å; L157-Q161 HydrophobicContact CG-CG 4.43Å; L157-Q161 WeakPolarHBondContact O-CB 3.26Å; L157-Q161 WeakPolarHBondContact O-CG 3.04Å; L157-Q161 PolarHBondContact O-N 2.7Å; L157-N187 HydrophobicContact CD1-CB 3.64Å; L157-N187 HydrophobicContact CD2-CB 4.49Å; L157-N187 WeakPolarHBondContact CD2-ND2 3.41Å; L157-L189 HydrophobicContact CD1-CD1 3.87Å
158S98.6Very high98.7Very high17 Ų1723.7 Ų23.712%0.11913%0.129CC..Hα-helixtrans-59.8-46.3176.8175.30000111.6D97 E154 V155 A160 Q161 A162D97-S158 PolarHBondContact O-OG 3.28Å; E154-S158 PolarHBondContact O-N 3.35Å; V155-S158 PolarHBondContact O-N 3.26Å; S158-A160 VanDerWaalsContact C-N 3.33Å; S158-A160 PolarHBondContact O-N 3.06Å; S158-Q161 PolarHBondContact O-N 3.44Å; S158-A162 PolarHBondContact O-N 3.31Å
159Y98.8Very high98.7Very high3 Ų323.7 Ų23.71%0.01213%0.129CC..Hα-helixtrans-63.5-39.6176.5-67.7-3.1000112.2A96 A103 V104 I107 C121 D122 V123 V155 L157 A162 G163 C164A96-Y159 VanDerWaalsContact O-CE1 3.28Å; A96-Y159 WeakPolarHBondContact O-CE1 3.44Å; A96-Y159 PolarHBondContact O-OH 2.99Å; A96-Y159 VanDerWaalsContact O-OH 3.07Å; A103-Y159 HydrophobicContact CB-CE1 3.92Å; A103-Y159 HydrophobicContact CB-CE2 4.35Å; A103-Y159 WeakPolarHBondContact CB-OH 3.37Å; V104-Y159 HydrophobicContact CG2-CD1 3.75Å; V104-Y159 HydrophobicContact CG2-CE1 3.86Å; I107-Y159 HydrophobicContact CD1-CD1 4.28Å; I107-Y159 HydrophobicContact CD1-CG 4.06Å; C121-Y159 HydrophobicContact CB-CD2 3.86Å; C121-Y159 HydrophobicContact CB-CE2 4.35Å; C121-Y159 WeakPolarHBondContact SG-CD2 3.33Å; C121-Y159 WeakPolarHBondContact SG-CE2 3.43Å; D122-Y159 WeakPolarHBondContact O-CE2 2.74Å; V123-Y159 HydrophobicContact CG2-CD2 3.67Å; V123-Y159 HydrophobicContact CG2-CE2 3.94Å; V155-Y159 HydrophobicContact CG1-CD2 4.28Å; V155-Y159 HydrophobicContact CG1-CE1 4.08Å; V155-Y159 HydrophobicContact CG1-CE2 3.8Å; V155-Y159 PolarHBondContact O-N 2.82Å; L157-Y159 PolarHBondContact O-N 3.36Å; Y159-A162 WeakPolarHBondContact O-CB 3.36Å; Y159-A162 PolarHBondContact O-N 2.75Å; Y159-G163 PolarHBondContact O-N 3Å; Y159-C164 WeakPolarHBondContact O-CB 3.38Å; Y159-C164 PolarHBondContact O-N 2.83Å
160A98.7Very high98.7Very high6 Ų623.6 Ų23.65%0.0513%0.128CC..Hα-helixtrans-62.5-44.6174.600000112A156 L157 S158 A162 G163 L184 L189 V193A156-A160 VanDerWaalsContact O-CB 3.28Å; A156-A160 WeakPolarHBondContact O-CB 3.43Å; A156-A160 PolarHBondContact O-N 2.56Å; L157-A160 WeakPolarHBondContact O-CB 3.34Å; L157-A160 PolarHBondContact O-N 3.35Å; S158-A160 VanDerWaalsContact C-N 3.33Å; S158-A160 PolarHBondContact O-N 3.06Å; A160-A162 VanDerWaalsContact C-N 3.28Å; A160-A162 PolarHBondContact O-N 2.86Å; A160-G163 PolarHBondContact O-N 3.22Å; A160-L184 HydrophobicContact CB-CD2 3.55Å; A160-L189 HydrophobicContact CB-CD1 3.86Å; A160-V193 HydrophobicContact CB-CG1 4.23Å; A160-V193 HydrophobicContact CB-CG2 3.97Å
161Q98.4Very high98.7Very high129 Ų12918 Ų1860%0.60310%0.099SC*.Hα-helixtrans-64.8-31.3175.9-73.9174-22.100112.6L157 S158 G163 L189L157-Q161 HydrophobicContact CD1-CG 4.22Å; L157-Q161 HydrophobicContact CG-CG 4.43Å; L157-Q161 WeakPolarHBondContact O-CB 3.26Å; L157-Q161 WeakPolarHBondContact O-CG 3.04Å; L157-Q161 PolarHBondContact O-N 2.7Å; S158-Q161 PolarHBondContact O-N 3.44Å; Q161-G163 PolarHBondContact O-N 3.32Å; Q161-L189 HydrophobicContact CG-CD1 4.09Å
162A98.4Very high98.7Very high15 Ų1518 Ų1812%0.12410%0.1CC..THydrogen-bonded Turntrans-69.7-11.8172.300000113.7V104 I107 K108 S158 Y159 A160V104-A162 HydrophobicContact CG1-CB 3.92Å; I107-A162 HydrophobicContact CB-CB 4.37Å; I107-A162 HydrophobicContact CG2-CB 3.99Å; I107-A162 WeakPolarHBondContact CG2-O 3.41Å; K108-A162 HydrophobicContact CG-CB 4.33Å; S158-A162 PolarHBondContact O-N 3.31Å; Y159-A162 WeakPolarHBondContact O-CB 3.36Å; Y159-A162 PolarHBondContact O-N 2.75Å; A160-A162 VanDerWaalsContact C-N 3.28Å; A160-A162 PolarHBondContact O-N 2.86Å
163G98.3Very high98.7Very high27 Ų2718.2 Ų18.228%0.27810%0.1SC..THydrogen-bonded Turntrans106.617.7177.900000114.9R111 Y159 A160 Q161R111-G163 VanDerWaalsContact CD-O 3.31Å; R111-G163 WeakPolarHBondContact CD-O 3.4Å; Y159-G163 PolarHBondContact O-N 3Å; A160-G163 PolarHBondContact O-N 3.22Å; Q161-G163 PolarHBondContact O-N 3.32Å
164C98.6Very high98.6Very high3 Ų322.6 Ų22.62%0.0212%0.123CC..  trans-67.5135.7173.7-169.40000111I107 V119 C121 Y159 I166 I167I107-C164 HydrophobicContact CD1-CB 4.02Å; I107-C164 HydrophobicContact CG1-CB 4.41Å; I107-C164 HydrophobicContact CG2-CB 4.25Å; V119-C164 PolarHBondContact O-SG 2.95Å; C121-C164 VanDerWaalsContact CB-SG 3.59Å; Y159-C164 WeakPolarHBondContact O-CB 3.38Å; Y159-C164 PolarHBondContact O-N 2.83Å; C164-I166 PolarHBondContact SG-O 3.47Å; C164-I167 HydrophobicContact CB-CD1 4.28Å
165H98.9Very high98.6Very high44 Ų4418.9 Ų18.920%0.20411%0.107CC..SBendtrans-89.6-32179.9-56.2113000112.6R111 L118 V119 V193 S194R111-H165 WeakPolarHBondContact CD-CE1 3.31Å; R111-H165 PolarHBondContact NE-CE1 3.2Å; R111-H165 VanDerWaalsContact NE-CE1 3.25Å; R111-H165 PolarHBondContact NE-NE2 3.36Å; R111-H165 PolarHBondContact NH1-CE1 2.92Å; R111-H165 PolarHBondContact NH1-NE2 2.65Å; R111-H165 PolarHBondContact NH2-NE2 2.78Å; L118-H165 HydrophobicContact CD1-CB 3.6Å; L118-H165 HydrophobicContact CG-CB 4.42Å; V119-H165 PolarHBondContact N-ND1 2.87Å; V119-H165 VanDerWaalsContact N-ND1 3.11Å; V119-H165 PolarHBondContact O-N 2.92Å; H165-V193 WeakPolarHBondContact O-CA 3.37Å; H165-S194 PolarHBondContact O-N 3.39Å
166I98.9Very high98.6Very high7 Ų718.9 Ų18.94%0.03611%0.107CC..EExtended strand (participates in β ladder)trans-131.6118.6-177.1-56.3172000109.9L118 V119 A120 C121 C164 S194 L196 M250L118-I166 HydrophobicContact CD1-CD1 4.46Å; L118-I166 HydrophobicContact CD2-CD1 3.49Å; L118-I166 VanDerWaalsContact CD2-CD1 3.49Å; L118-I166 HydrophobicContact CD2-CG1 4.46Å; L118-I166 HydrophobicContact CG-CD1 3.88Å; L118-I166 HydrophobicContact CG-CG1 4.45Å; V119-I166 PolarHBondContact O-N 2.81Å; V119-I166 VanDerWaalsContact O-N 3.09Å; A120-I166 CarbonylContact C-O 3.54Å; A120-I166 VanDerWaalsContact CA-O 3.22Å; A120-I166 WeakPolarHBondContact CA-O 3.46Å; A120-I166 HydrophobicContact CB-CB 3.77Å; A120-I166 HydrophobicContact CB-CD1 4.44Å; A120-I166 HydrophobicContact CB-CG2 4.18Å; C121-I166 PolarHBondContact N-O 2.74Å; C164-I166 PolarHBondContact SG-O 3.47Å; I166-S194 CarbonylContact C-O 3.49Å; I166-S194 WeakPolarHBondContact CA-O 3.32Å; I166-L196 HydrophobicContact CG2-CB 3.53Å; I166-L196 HydrophobicContact CG2-CD2 4.44Å; I166-M250 HydrophobicContact CD1-CE 4Å; I166-M250 HydrophobicContact CG1-CE 4.23Å; I166-M250 HydrophobicContact CG2-CE 4.1Å
167I98.9Very high98.6Very high0 Ų018.9 Ų18.90%011%0.107CC..EExtended strand (participates in β ladder)trans-89123.9169.5-63.4-57.7000109.3V123 A156 C164 P169 I180 V193 S194 V195 L196V123-I167 HydrophobicContact CB-CG2 4.23Å; V123-I167 HydrophobicContact CG2-CD1 4.29Å; V123-I167 HydrophobicContact CG2-CG2 3.61Å; A156-I167 HydrophobicContact CB-CG1 4.38Å; A156-I167 HydrophobicContact CB-CG2 3.76Å; A156-I167 WeakPolarHBondContact O-CD1 3.25Å; C164-I167 HydrophobicContact CB-CD1 4.28Å; I167-P169 VanDerWaalsContact O-CD 3.31Å; I167-P169 WeakPolarHBondContact O-CD 3.31Å; I167-I180 HydrophobicContact CG2-CG2 4.16Å; I167-V193 HydrophobicContact CG1-CG1 3.68Å; I167-S194 PolarHBondContact N-O 3.13Å; I167-V195 CarbonylContact O-C 3.51Å; I167-V195 WeakPolarHBondContact O-CA 3.26Å; I167-L196 PolarHBondContact O-N 3.14Å
168A98.9Very high98.6Very high0 Ų025.4 Ų25.40%013%0.13CC..EExtended strand (participates in β ladder)trans-117.382.8-177.500000111.5L79 C121 D122 V123 S170 L196 Y198L79-A168 HydrophobicContact CD1-CB 4.05Å; C121-A168 PolarHBondContact O-N 3.43Å; D122-A168 WeakPolarHBondContact CA-O 3.21Å; V123-A168 PolarHBondContact N-O 3.39Å; A168-S170 PolarHBondContact O-N 3.28Å; A168-L196 VanDerWaalsContact CA-O 3.28Å; A168-L196 WeakPolarHBondContact CA-O 3.43Å; A168-L196 HydrophobicContact CB-CB 4.37Å; A168-Y198 HydrophobicContact CB-CD2 4.4Å; A168-Y198 HydrophobicContact CB-CE2 3.75Å; A168-Y198 WeakPolarHBondContact O-CE2 3.45Å
169P98.8Very high98.7Very high0 Ų025.7 Ų25.70%013%0.133CC..EExtended strand (participates in β ladder)trans-72.5119.5-17628.2-32.6000111.6V123 I167 D171 R176 I177 I180 V195 L196 Y198V123-P169 WeakPolarHBondContact O-CA 3.48Å; I167-P169 VanDerWaalsContact O-CD 3.31Å; I167-P169 WeakPolarHBondContact O-CD 3.31Å; P169-D171 WeakPolarHBondContact CB-OD1 3.42Å; P169-R176 HydrophobicContact CB-CG 4.13Å; P169-I177 HydrophobicContact CG-CD1 3.44Å; P169-I177 VanDerWaalsContact CG-CD1 3.44Å; P169-I180 HydrophobicContact CB-CD1 3.6Å; P169-I180 HydrophobicContact CG-CD1 3.85Å; P169-V195 HydrophobicContact CG-CG1 4.25Å; P169-L196 WeakPolarHBondContact CD-O 3.47Å; P169-Y198 WeakPolarHBondContact O-CB 3.25Å; P169-Y198 VanDerWaalsContact O-CD2 3.24Å; P169-Y198 WeakPolarHBondContact O-CD2 3.34Å; P169-Y198 PolarHBondContact O-N 3.03Å
170S98.6Very high98.7Very high6 Ų625.5 Ų25.54%0.04213%0.133CC..  trans-110.57.1-169.887.10000114.3D122 V123 A168 K201D122-S170 WeakPolarHBondContact OD1-CB 3.24Å; D122-S170 PolarHBondContact OD1-OG 3.25Å; D122-S170 PolarHBondContact OD2-OG 3.39Å; V123-S170 PolarHBondContact O-N 2.98Å; A168-S170 PolarHBondContact O-N 3.28Å; S170-K201 WeakPolarHBondContact O-CD 3.45Å; S170-K201 PolarHBondContact O-NZ 3.48Å
171D98.4Very high98.7Very high0 Ų026.5 Ų26.50%014%0.136CC..SBendtrans-74.7-31.4-169.855.3-78.9000115.1C134 L152 P169 M173 R176 Y226C134-D171 HydrophobicContact CB-CB 4.16Å; L152-D171 HydrophobicContact CD1-CB 3.75Å; L152-D171 WeakPolarHBondContact CD1-OD2 3.45Å; L152-D171 HydrophobicContact CD2-CB 4.08Å; P169-D171 WeakPolarHBondContact CB-OD1 3.42Å; D171-M173 VanDerWaalsContact C-N 3.33Å; D171-M173 HydrophobicContact CB-CG 4.08Å; D171-M173 WeakPolarHBondContact OD2-CA 3.47Å; D171-M173 WeakPolarHBondContact OD2-CB 3.47Å; D171-M173 VanDerWaalsContact OD2-CG 3.31Å; D171-M173 WeakPolarHBondContact OD2-CG 3.28Å; D171-M173 PolarHBondContact OD2-N 3.28Å; D171-R176 WeakPolarHBondContact OD2-CD 3.13Å; D171-R176 WeakPolarHBondContact OD2-CG 3.34Å; D171-R176 IonicContact OD2-NE 3.18Å; D171-Y226 WeakPolarHBondContact O-CD2 3.43Å
172M98.5Very high98.7Very high7 Ų726.1 Ų26.13%0.03413%0.134CC..  trans6718.6-173-70.7-68-58.700116.3K201 Y226 L228M172-K201 HydrophobicContact CG-CB 3.7Å; M172-K201 HydrophobicContact CG-CD 4.04Å; M172-K201 HydrophobicContact CG-CG 4.29Å; M172-K201 HydrophobicContact SD-CB 3.64Å; M172-Y226 HydrophobicContact CB-CD2 4.33Å; M172-Y226 WeakPolarHBondContact CB-O 3.31Å; M172-L228 HydrophobicContact CE-CD1 4.1Å; M172-L228 HydrophobicContact CE-CD2 3.82Å; M172-L228 HydrophobicContact CE-CG 3.65Å
173M98.5Very high98.7Very high3 Ų326.3 Ų26.32%0.01513%0.134CC..  trans-71.2152.7173.6-56.4-59.9146.700111.4C134 L143 L152 D171 G175 R176 Y226C134-M173 HydrophobicContact CB-CE 3.94Å; L143-M173 HydrophobicContact CD1-CE 3.76Å; L143-M173 HydrophobicContact CD1-SD 3.75Å; L143-M173 HydrophobicContact CD2-CE 3.55Å; L143-M173 HydrophobicContact CD2-SD 3.84Å; L143-M173 HydrophobicContact CG-CE 4.31Å; L143-M173 HydrophobicContact CG-SD 4.28Å; L152-M173 HydrophobicContact CD1-CB 4.45Å; L152-M173 HydrophobicContact CD1-CG 4.11Å; D171-M173 VanDerWaalsContact C-N 3.33Å; D171-M173 HydrophobicContact CB-CG 4.08Å; D171-M173 WeakPolarHBondContact OD2-CA 3.47Å; D171-M173 WeakPolarHBondContact OD2-CB 3.47Å; D171-M173 VanDerWaalsContact OD2-CG 3.31Å; D171-M173 WeakPolarHBondContact OD2-CG 3.28Å; D171-M173 PolarHBondContact OD2-N 3.28Å; M173-G175 PolarHBondContact O-N 2.97Å; M173-R176 WeakPolarHBondContact O-CD 3.38Å; M173-Y226 HydrophobicContact CE-CD2 4.2Å; M173-Y226 HydrophobicContact CE-CG 4.16Å
174D98.6Very high98.7Very high99 Ų9925 Ų2553%0.52912%0.121SC..THydrogen-bonded Turntrans-79.8122.3-178.1-68.7-17.2000110.1N145 C149 R242N145-D174 PolarHBondContact ND2-O 2.82Å; N145-D174 PolarHBondContact OD1-N 3.05Å; N145-D174 PolarHBondContact OD1-O 3.16Å; C149-D174 PolarHBondContact SG-O 3.35Å; D174-R242 IonicContact OD1-CZ 3.99Å; D174-R242 IonicContact OD1-NH1 3.97Å; D174-R242 PolarHBondContact OD1-NH1 2.98Å
175G98.4Very high98.7Very high6 Ų630.1 Ų30.16%0.06215%0.148CC..THydrogen-bonded Turntrans88.71.3176.900000116.2M173 I177 R178 A179 E246M173-G175 PolarHBondContact O-N 2.97Å; G175-I177 PolarHBondContact O-N 3.28Å; G175-R178 PolarHBondContact O-N 2.62Å; G175-A179 PolarHBondContact O-N 3.42Å; G175-E246 WeakPolarHBondContact CA-OE1 3.41Å; G175-E246 WeakPolarHBondContact CA-OE2 3.45Å
176R98.8Very high98.7Very high0 Ų031.9 Ų31.90%017%0.165CC..Hα-helixtrans-61.6-31.3-17986.5-77.1-177.9-149.64.9113.5L152 P169 D171 M173 A179 I180 S197 D243L152-R176 HydrophobicContact CD1-CB 4.17Å; P169-R176 HydrophobicContact CB-CG 4.13Å; D171-R176 WeakPolarHBondContact OD2-CD 3.13Å; D171-R176 WeakPolarHBondContact OD2-CG 3.34Å; D171-R176 IonicContact OD2-NE 3.18Å; M173-R176 WeakPolarHBondContact O-CD 3.38Å; R176-A179 PolarHBondContact O-N 3.15Å; R176-I180 HydrophobicContact CG-CD1 4.35Å; R176-I180 WeakPolarHBondContact O-CB 3.44Å; R176-I180 VanDerWaalsContact O-CG1 3.27Å; R176-I180 WeakPolarHBondContact O-CG1 3.26Å; R176-I180 PolarHBondContact O-N 3Å; R176-S197 PolarHBondContact NH2-OG 3.2Å; R176-D243 IonicContact CZ-OD1 3.55Å; R176-D243 IonicContact CZ-OD2 3.82Å; R176-D243 VanDerWaalsContact CZ-OD2 3.24Å; R176-D243 IonicContact NH1-OD1 2.73Å; R176-D243 PolarHBondContact NH1-OD1 3.09Å; R176-D243 IonicContact NH1-OD2 3.55Å; R176-D243 PolarHBondContact NH1-OD2 3.45Å; R176-D243 IonicContact NH2-OD1 3.47Å; R176-D243 IonicContact NH2-OD2 2.95Å; R176-D243 PolarHBondContact NH2-OD2 3.01Å
177I98.9Very high98.7Very high0 Ų035.4 Ų35.40%018%0.184CC..Hα-helixtrans-66.5-46-178.9-58.5-54.5000109.5P169 G175 A179 I180 K181 V195 S197 D243 E246 A248P169-I177 HydrophobicContact CG-CD1 3.44Å; P169-I177 VanDerWaalsContact CG-CD1 3.44Å; G175-I177 PolarHBondContact O-N 3.28Å; I177-A179 VanDerWaalsContact C-N 3.33Å; I177-A179 PolarHBondContact O-N 3.4Å; I177-I180 PolarHBondContact O-N 3.3Å; I177-K181 WeakPolarHBondContact O-CB 3.48Å; I177-K181 PolarHBondContact O-N 2.67Å; I177-V195 HydrophobicContact CD1-CG1 3.98Å; I177-V195 HydrophobicContact CG2-CG1 4.38Å; I177-S197 WeakPolarHBondContact CD1-OG 3.46Å; I177-D243 HydrophobicContact CG1-CB 4.08Å; I177-E246 HydrophobicContact CB-CB 3.84Å; I177-E246 WeakPolarHBondContact CB-OE2 3.42Å; I177-E246 HydrophobicContact CG2-CB 3.84Å; I177-E246 PolarHBondContact N-OE2 2.89Å; I177-A248 HydrophobicContact CG2-CB 4.04Å
178R98.9Very high98.7Very high162 Ų16237.8 Ų37.861%0.61121%0.208SC*.Hα-helixtrans-57.9-45.8174.2-179.3179.162.7-162-2.2111.7G175 H182 E246G175-R178 PolarHBondContact O-N 2.62Å; R178-H182 VanDerWaalsContact O-CB 3.25Å; R178-H182 WeakPolarHBondContact O-CB 3.13Å; R178-H182 PolarHBondContact O-N 3.22Å; R178-E246 HydrophobicContact CB-CB 4.03Å; R178-E246 HydrophobicContact CB-CG 3.87Å; R178-E246 PolarHBondContact N-OE2 2.8Å
179A98.9Very high98.7Very high22 Ų2239.1 Ų39.118%0.18222%0.215CC..Hα-helixtrans-61.6-47.6-179.900000111.8C149 A153 G175 R176 I177 H182 S183C149-A179 HydrophobicContact CB-CB 4.06Å; A153-A179 HydrophobicContact CB-CB 4.12Å; G175-A179 PolarHBondContact O-N 3.42Å; R176-A179 PolarHBondContact O-N 3.15Å; I177-A179 VanDerWaalsContact C-N 3.33Å; I177-A179 PolarHBondContact O-N 3.4Å; A179-H182 PolarHBondContact O-N 2.91Å; A179-S183 WeakPolarHBondContact O-CB 3.08Å; A179-S183 PolarHBondContact O-N 2.98Å
180I98.9Very high98.6Very high0 Ų040.1 Ų40.10%023%0.225CC..Hα-helixtrans-63.1-50.4177.8-69.4165.6000110.9A153 A156 I167 P169 R176 I177 H182 S183 L184 V195A153-I180 HydrophobicContact CB-CG1 4.29Å; A156-I180 HydrophobicContact CB-CB 4.43Å; A156-I180 HydrophobicContact CB-CD1 4.3Å; A156-I180 HydrophobicContact CB-CG1 3.9Å; A156-I180 HydrophobicContact CB-CG2 3.82Å; I167-I180 HydrophobicContact CG2-CG2 4.16Å; P169-I180 HydrophobicContact CB-CD1 3.6Å; P169-I180 HydrophobicContact CG-CD1 3.85Å; R176-I180 HydrophobicContact CG-CD1 4.35Å; R176-I180 WeakPolarHBondContact O-CB 3.44Å; R176-I180 VanDerWaalsContact O-CG1 3.27Å; R176-I180 WeakPolarHBondContact O-CG1 3.26Å; R176-I180 PolarHBondContact O-N 3Å; I177-I180 PolarHBondContact O-N 3.3Å; I180-H182 VanDerWaalsContact C-N 3.32Å; I180-H182 PolarHBondContact O-N 3.47Å; I180-S183 PolarHBondContact O-N 3.32Å; I180-L184 HydrophobicContact CG2-CD1 3.94Å; I180-L184 HydrophobicContact CG2-CG 4.39Å; I180-L184 WeakPolarHBondContact O-CG 3.42Å; I180-L184 PolarHBondContact O-N 3.05Å; I180-V195 HydrophobicContact CG2-CG2 4.02Å
181K98.8Very high98.6Very high26 Ų2646.4 Ų46.411%0.11326%0.258CS..Hα-helixtrans-59.2-43.2179-87.6-61.2-150.2-176.20112I177 L184 L185 V195 G247 D249I177-K181 WeakPolarHBondContact O-CB 3.48Å; I177-K181 PolarHBondContact O-N 2.67Å; K181-L184 PolarHBondContact O-N 2.8Å; K181-L185 WeakPolarHBondContact O-CB 3.17Å; K181-L185 VanDerWaalsContact O-CG 3.29Å; K181-L185 WeakPolarHBondContact O-CG 3.48Å; K181-L185 PolarHBondContact O-N 2.71Å; K181-V195 HydrophobicContact CD-CG2 3.79Å; K181-V195 HydrophobicContact CG-CG2 4.12Å; K181-G247 WeakPolarHBondContact CE-O 3.23Å; K181-D249 WeakPolarHBondContact CE-OD2 3.44Å; K181-D249 IonicContact NZ-OD1 2.98Å; K181-D249 PolarHBondContact NZ-OD1 3.4Å; K181-D249 IonicContact NZ-OD2 3.63Å; K181-D249 PolarHBondContact NZ-OD2 2.78Å
182H98.8Very high98.6Very high121 Ų12153.3 Ų53.356%0.5629%0.288SS*.Hα-helixtrans-62.1-45.9176.4-175.975.5000111.6R178 A179 I180 L184 L185 S186R178-H182 VanDerWaalsContact O-CB 3.25Å; R178-H182 WeakPolarHBondContact O-CB 3.13Å; R178-H182 PolarHBondContact O-N 3.22Å; A179-H182 PolarHBondContact O-N 2.91Å; I180-H182 VanDerWaalsContact C-N 3.32Å; I180-H182 PolarHBondContact O-N 3.47Å; H182-L184 PolarHBondContact O-N 2.88Å; H182-L185 PolarHBondContact O-N 2.75Å; H182-S186 PolarHBondContact NE2-OG 3.35Å; H182-S186 WeakPolarHBondContact O-CB 3.24Å; H182-S186 PolarHBondContact O-N 2.99Å; H182-S186 PolarHBondContact O-OG 3.41Å; H182-S186 VanDerWaalsContact O-OG 3.1Å
183S98.8Very high98.6Very high19 Ų1953.3 Ų53.313%0.13329%0.289CS..Hα-helixtrans-58.6-46.7177.3-1770000112.2A179 I180 L185 S186 N187A179-S183 WeakPolarHBondContact O-CB 3.08Å; A179-S183 PolarHBondContact O-N 2.98Å; I180-S183 PolarHBondContact O-N 3.32Å; S183-L185 PolarHBondContact O-N 2.87Å; S183-S186 PolarHBondContact O-N 3.09Å; S183-N187 PolarHBondContact O-N 2.94Å; S183-N187 PolarHBondContact O-ND2 3.36Å
184L98.8Very high98.6Very high0 Ų055.3 Ų55.30%030%0.303CS..Hα-helixtrans-62.6-42177.4-66.7172.8000112.2A160 I180 K181 H182 N187 G188 L189 G190 V193 V195A160-L184 HydrophobicContact CB-CD2 3.55Å; I180-L184 HydrophobicContact CG2-CD1 3.94Å; I180-L184 HydrophobicContact CG2-CG 4.39Å; I180-L184 WeakPolarHBondContact O-CG 3.42Å; I180-L184 PolarHBondContact O-N 3.05Å; K181-L184 PolarHBondContact O-N 2.8Å; H182-L184 PolarHBondContact O-N 2.88Å; L184-N187 PolarHBondContact O-N 2.64Å; L184-G188 PolarHBondContact O-N 2.86Å; L184-L189 HydrophobicContact CB-CB 4.47Å; L184-L189 HydrophobicContact CD2-CB 4.19Å; L184-L189 CarbonylContact O-C 3.58Å; L184-L189 WeakPolarHBondContact O-CA 3.49Å; L184-L189 PolarHBondContact O-N 3.15Å; L184-G190 PolarHBondContact O-N 2.83Å; L184-G190 VanDerWaalsContact O-N 3.11Å; L184-V193 HydrophobicContact CD1-CB 4.23Å; L184-V193 HydrophobicContact CD1-CG1 4Å; L184-V193 HydrophobicContact CD2-CB 4.31Å; L184-V193 HydrophobicContact CD2-CG1 4.24Å; L184-V195 HydrophobicContact CD1-CG2 3.96Å
185L98.4Very high98.7Very high111 Ų11150.6 Ų50.658%0.58128%0.278SS*.Hα-helixtrans-64-49.6177.4-75.7165.6000111.7K181 H182 S183 N187 G188K181-L185 WeakPolarHBondContact O-CB 3.17Å; K181-L185 VanDerWaalsContact O-CG 3.29Å; K181-L185 WeakPolarHBondContact O-CG 3.48Å; K181-L185 PolarHBondContact O-N 2.71Å; H182-L185 PolarHBondContact O-N 2.75Å; S183-L185 PolarHBondContact O-N 2.87Å; L185-N187 PolarHBondContact O-N 2.98Å; L185-N187 VanDerWaalsContact O-N 3.13Å; L185-G188 PolarHBondContact O-N 2.89Å
186S98.6Very high98.7Very high80 Ų8050.3 Ų50.356%0.55928%0.275SS*.Hα-helixtrans-63.7-19-178.6-63.60000113.3H182 S183H182-S186 PolarHBondContact NE2-OG 3.35Å; H182-S186 WeakPolarHBondContact O-CB 3.24Å; H182-S186 PolarHBondContact O-N 2.99Å; H182-S186 PolarHBondContact O-OG 3.41Å; H182-S186 VanDerWaalsContact O-OG 3.1Å; S183-S186 PolarHBondContact O-N 3.09Å
187N98.6Very high98.7Very high82 Ų8250.3 Ų50.344%0.43928%0.275SS..THydrogen-bonded Turntrans-105.213.4176.7-71.2-86.3000113.7L157 S183 L184 L185 L189L157-N187 HydrophobicContact CD1-CB 3.64Å; L157-N187 HydrophobicContact CD2-CB 4.49Å; L157-N187 WeakPolarHBondContact CD2-ND2 3.41Å; S183-N187 PolarHBondContact O-N 2.94Å; S183-N187 PolarHBondContact O-ND2 3.36Å; L184-N187 PolarHBondContact O-N 2.64Å; L185-N187 PolarHBondContact O-N 2.98Å; L185-N187 VanDerWaalsContact O-N 3.13Å; N187-L189 VanDerWaalsContact C-N 3.31Å; N187-L189 PolarHBondContact O-N 3.13Å
188G98.6Very high98.7Very high49 Ų4950.4 Ų50.451%0.50528%0.275SS..THydrogen-bonded Turntrans71.619.9175.100000115.2L184 L185L184-G188 PolarHBondContact O-N 2.86Å; L185-G188 PolarHBondContact O-N 2.89Å
189L98.7Very high98.7Very high29 Ų2942.7 Ų42.715%0.15225%0.246CC..  trans-108.6-5.5-179.4-65173.2000113.3L157 A160 Q161 L184 N187 N191 K192 V193L157-L189 HydrophobicContact CD1-CD1 3.87Å; A160-L189 HydrophobicContact CB-CD1 3.86Å; Q161-L189 HydrophobicContact CG-CD1 4.09Å; L184-L189 HydrophobicContact CB-CB 4.47Å; L184-L189 HydrophobicContact CD2-CB 4.19Å; L184-L189 CarbonylContact O-C 3.58Å; L184-L189 WeakPolarHBondContact O-CA 3.49Å; L184-L189 PolarHBondContact O-N 3.15Å; N187-L189 VanDerWaalsContact C-N 3.31Å; N187-L189 PolarHBondContact O-N 3.13Å; L189-N191 PolarHBondContact O-N 2.98Å; L189-K192 HydrophobicContact CD2-CD 4.49Å; L189-K192 PolarHBondContact O-N 3.44Å; L189-V193 HydrophobicContact CB-CG2 4.26Å; L189-V193 PolarHBondContact O-N 3.29Å; L189-V193 VanDerWaalsContact O-N 3.15Å
190G97.9Very high98.7Very high20 Ų2041.6 Ų41.621%0.20624%0.237CC..THydrogen-bonded Turntrans-62.2-16.2-172.500000116.3L184L184-G190 PolarHBondContact O-N 2.83Å; L184-G190 VanDerWaalsContact O-N 3.11Å
191N98.4Very high98.7Very high139 Ų13942.1 Ų42.174%0.74324%0.24SC*.THydrogen-bonded Turntrans-105.73.2174.271.9-40.5000114L189L189-N191 PolarHBondContact O-N 2.98Å
192K98.1Very high98.7Very high144 Ų14440.9 Ų40.963%0.62623%0.234SC*.THydrogen-bonded Turntrans-117.8-17.4-176.8-65.1176.9-175.7174.80113.1L189L189-K192 HydrophobicContact CD2-CD 4.49Å; L189-K192 PolarHBondContact O-N 3.44Å
193V98.8Very high98.6Very high7 Ų736.5 Ų36.54%0.04222%0.219CC..  trans-127.5120.9-174.1-177.20000109.6A160 H165 I167 L184 L189A160-V193 HydrophobicContact CB-CG1 4.23Å; A160-V193 HydrophobicContact CB-CG2 3.97Å; H165-V193 WeakPolarHBondContact O-CA 3.37Å; I167-V193 HydrophobicContact CG1-CG1 3.68Å; L184-V193 HydrophobicContact CD1-CB 4.23Å; L184-V193 HydrophobicContact CD1-CG1 4Å; L184-V193 HydrophobicContact CD2-CB 4.31Å; L184-V193 HydrophobicContact CD2-CG1 4.24Å; L189-V193 HydrophobicContact CB-CG2 4.26Å; L189-V193 PolarHBondContact O-N 3.29Å; L189-V193 VanDerWaalsContact O-N 3.15Å
194S98.9Very high98.6Very high45 Ų4536.4 Ų36.432%0.31522%0.218SC..EExtended strand (participates in β ladder)trans-86.9154.5176.7-58.40000111.2H165 I166 I167 D249H165-S194 PolarHBondContact O-N 3.39Å; I166-S194 CarbonylContact C-O 3.49Å; I166-S194 WeakPolarHBondContact CA-O 3.32Å; I167-S194 PolarHBondContact N-O 3.13Å; S194-D249 WeakPolarHBondContact CA-OD2 3.42Å
195V98.9Very high98.5Very high0 Ų041.6 Ų41.60%025%0.253CS..EExtended strand (participates in β ladder)trans-114.7110.2175.4-178.10000109.1I167 P169 I177 I180 K181 L184 D249 M250I167-V195 CarbonylContact O-C 3.51Å; I167-V195 WeakPolarHBondContact O-CA 3.26Å; P169-V195 HydrophobicContact CG-CG1 4.25Å; I177-V195 HydrophobicContact CD1-CG1 3.98Å; I177-V195 HydrophobicContact CG2-CG1 4.38Å; I180-V195 HydrophobicContact CG2-CG2 4.02Å; K181-V195 HydrophobicContact CD-CG2 3.79Å; K181-V195 HydrophobicContact CG-CG2 4.12Å; L184-V195 HydrophobicContact CD1-CG2 3.96Å; V195-D249 PolarHBondContact N-OD2 2.87Å; V195-D249 PolarHBondContact O-N 3Å; V195-M250 PolarHBondContact O-N 3.16Å
196L98.9Very high98.5Very high1 Ų140.3 Ų40.31%0.00524%0.241CC..BIsolated β-bridgetrans-97.592.7174.2172.557.8000109.1I34 I166 I167 A168 P169 M250 M252 A276 I318I34-L196 HydrophobicContact CD1-CD2 4.5Å; I166-L196 HydrophobicContact CG2-CB 3.53Å; I166-L196 HydrophobicContact CG2-CD2 4.44Å; I167-L196 PolarHBondContact O-N 3.14Å; A168-L196 VanDerWaalsContact CA-O 3.28Å; A168-L196 WeakPolarHBondContact CA-O 3.43Å; A168-L196 HydrophobicContact CB-CB 4.37Å; P169-L196 WeakPolarHBondContact CD-O 3.47Å; L196-M250 HydrophobicContact CB-CB 4.35Å; L196-M250 HydrophobicContact CB-CE 4.22Å; L196-M250 HydrophobicContact CD1-CB 3.47Å; L196-M250 VanDerWaalsContact CD1-CB 3.47Å; L196-M250 HydrophobicContact CG-CB 4.49Å; L196-M252 HydrophobicContact CD1-CB 4.35Å; L196-M252 HydrophobicContact CD1-CE 4.01Å; L196-M252 HydrophobicContact CD2-CE 3.62Å; L196-M252 HydrophobicContact CG-CE 3.61Å; L196-A276 HydrophobicContact CD1-CB 3.8Å; L196-A276 HydrophobicContact CD2-CB 4.46Å; L196-I318 HydrophobicContact CD2-CD1 4.5Å
197S98.9Very high98.4Very high0 Ų036.9 Ų36.90%022%0.216CC..  trans-72.2134.1-175.9179.80000111.8R176 I177 S199 D243 M250 L251 M252R176-S197 PolarHBondContact NH2-OG 3.2Å; I177-S197 WeakPolarHBondContact CD1-OG 3.46Å; S197-S199 VanDerWaalsContact CB-OG 3.31Å; S197-S199 WeakPolarHBondContact CB-OG 3.38Å; S197-S199 PolarHBondContact O-N 3.29Å; S197-S199 PolarHBondContact O-OG 3.45Å; S197-S199 PolarHBondContact OG-N 3.38Å; S197-S199 PolarHBondContact OG-OG 3.27Å; S197-D243 PolarHBondContact OG-OD2 2.87Å; S197-M250 PolarHBondContact N-O 2.96Å; S197-L251 CarbonylContact O-C 3.49Å; S197-M252 WeakPolarHBondContact O-CB 3.45Å; S197-M252 PolarHBondContact O-N 3.38Å
198Y98.8Very high98.1Very high1 Ų134.8 Ų34.80%0.00421%0.213CC..  trans-71.762.5159.9-73.3-109.1000110.5D122 A168 P169 A200 K201 M252 K254 Y278D122-Y198 WeakPolarHBondContact OD1-CE2 3.29Å; D122-Y198 PolarHBondContact OD1-OH 2.87Å; A168-Y198 HydrophobicContact CB-CD2 4.4Å; A168-Y198 HydrophobicContact CB-CE2 3.75Å; A168-Y198 WeakPolarHBondContact O-CE2 3.45Å; P169-Y198 WeakPolarHBondContact O-CB 3.25Å; P169-Y198 VanDerWaalsContact O-CD2 3.24Å; P169-Y198 WeakPolarHBondContact O-CD2 3.34Å; P169-Y198 PolarHBondContact O-N 3.03Å; Y198-A200 PolarHBondContact O-N 2.99Å; Y198-K201 HydrophobicContact CD1-CD 4.3Å; Y198-M252 HydrophobicContact CD1-CE 4.32Å; Y198-M252 HydrophobicContact CD1-SD 3.51Å; Y198-M252 VanDerWaalsContact CD1-SD 3.51Å; Y198-M252 HydrophobicContact CD2-CE 4.07Å; Y198-M252 HydrophobicContact CD2-SD 4.32Å; Y198-M252 HydrophobicContact CE1-CE 4.16Å; Y198-M252 HydrophobicContact CE1-SD 3.51Å; Y198-M252 VanDerWaalsContact CE1-SD 3.51Å; Y198-M252 HydrophobicContact CE2-CE 3.96Å; Y198-M252 HydrophobicContact CE2-SD 4.35Å; Y198-M252 HydrophobicContact CG-CE 4.3Å; Y198-M252 HydrophobicContact CG-SD 3.97Å; Y198-K254 HydrophobicContact CD1-CB 4.41Å; Y198-K254 HydrophobicContact CD1-CD 3.69Å; Y198-K254 HydrophobicContact CE1-CD 3.51Å; Y198-Y278 AromaticContact CE1-CD2 3.83Å; Y198-Y278 HydrophobicContact CE1-CD2 3.83Å; Y198-Y278 HydrophobicContact CE1-CE2 4.25Å
199S98.8Very high98Very high0 Ų033.3 Ų33.30%020%0.195CC..  trans-61.9-41.7-165.8-51.50000113.9S197 A239 D243 L251 M252S197-S199 VanDerWaalsContact CB-OG 3.31Å; S197-S199 WeakPolarHBondContact CB-OG 3.38Å; S197-S199 PolarHBondContact O-N 3.29Å; S197-S199 PolarHBondContact O-OG 3.45Å; S197-S199 PolarHBondContact OG-N 3.38Å; S197-S199 PolarHBondContact OG-OG 3.27Å; S199-A239 WeakPolarHBondContact O-CB 3.35Å; S199-D243 WeakPolarHBondContact CA-OD2 3.41Å; S199-L251 WeakPolarHBondContact OG-CD2 3.36Å; S199-M252 PolarHBondContact N-O 3.09Å
200A98.8Very high97.7Very high0 Ų033.3 Ų33.30%019%0.194CC..EExtended strand (participates in β ladder)trans-12183.9176.800000109.7Y198 F202 L228 A236 V240 M252 V253 K254 I262Y198-A200 PolarHBondContact O-N 2.99Å; A200-F202 HydrophobicContact CB-CE2 4.14Å; A200-L228 HydrophobicContact CB-CD1 4.41Å; A200-A236 HydrophobicContact CB-CB 4.14Å; A200-V240 HydrophobicContact CB-CG2 4.02Å; A200-M252 PolarHBondContact N-O 3.24Å; A200-V253 HydrophobicContact CB-CG2 4.34Å; A200-K254 PolarHBondContact O-N 3.1Å; A200-I262 HydrophobicContact CB-CG2 4.26Å
201K98.9Very high97.4Very high11 Ų1135.1 Ų35.15%0.04820%0.195CC..EExtended strand (participates in β ladder)trans-107.2115.3176.2-177.1-178.5179.4175.60111.3S170 M172 Y198 L228 K254S170-K201 WeakPolarHBondContact O-CD 3.45Å; S170-K201 PolarHBondContact O-NZ 3.48Å; M172-K201 HydrophobicContact CG-CB 3.7Å; M172-K201 HydrophobicContact CG-CD 4.04Å; M172-K201 HydrophobicContact CG-CG 4.29Å; M172-K201 HydrophobicContact SD-CB 3.64Å; Y198-K201 HydrophobicContact CD1-CD 4.3Å; K201-L228 PolarHBondContact O-N 2.92Å; K201-K254 VanDerWaalsContact CA-O 3.31Å; K201-K254 WeakPolarHBondContact CA-O 3.44Å; K201-K254 HydrophobicContact CG-CB 4.48Å; K201-K254 HydrophobicContact CG-CD 4.49Å; K201-K254 HydrophobicContact CG-CG 4.48Å
202F98.8Very high96.9Very high0 Ų033 Ų330%018%0.184CC..BIsolated β-bridgetrans-91151.6-174.7-65.6-92000113.4A200 S204 Y207 L228 P229 A236 V253 K254 Y259 I262A200-F202 HydrophobicContact CB-CE2 4.14Å; F202-S204 VanDerWaalsContact C-N 3.28Å; F202-S204 PolarHBondContact O-N 2.66Å; F202-Y207 WeakPolarHBondContact O-CE2 3.44Å; F202-Y207 PolarHBondContact O-OH 3.47Å; F202-L228 CarbonylContact C-O 3.59Å; F202-L228 VanDerWaalsContact CA-O 3.25Å; F202-L228 WeakPolarHBondContact CA-O 3.25Å; F202-L228 HydrophobicContact CD1-CB 3.71Å; F202-L228 HydrophobicContact CE1-CB 4.04Å; F202-L228 HydrophobicContact CE1-CD1 4.34Å; F202-L228 HydrophobicContact CG-CB 4.25Å; F202-L228 HydrophobicContact CZ-CD1 4.39Å; F202-P229 WeakPolarHBondContact CD1-O 3.46Å; F202-A236 HydrophobicContact CE1-CB 4.22Å; F202-A236 HydrophobicContact CE2-CB 4.49Å; F202-A236 HydrophobicContact CZ-CB 3.64Å; F202-V253 HydrophobicContact CE2-CG1 4.47Å; F202-K254 PolarHBondContact N-O 3.42Å; F202-Y259 HydrophobicContact CB-CE1 3.95Å; F202-Y259 HydrophobicContact CB-CE2 4.3Å; F202-Y259 HydrophobicContact CD1-CD1 4.09Å; F202-Y259 AromaticContact CD1-CE1 3.42Å; F202-Y259 HydrophobicContact CD1-CE1 3.42Å; F202-Y259 VanDerWaalsContact CD1-CE1 3.42Å; F202-Y259 AromaticContact CD2-CD1 3.54Å; F202-Y259 HydrophobicContact CD2-CD1 3.54Å; F202-Y259 HydrophobicContact CD2-CD2 4.35Å; F202-Y259 AromaticContact CD2-CE1 3.53Å; F202-Y259 HydrophobicContact CD2-CE1 3.53Å; F202-Y259 HydrophobicContact CD2-CE2 4.38Å; F202-Y259 AromaticContact CD2-CG 3.95Å; F202-Y259 HydrophobicContact CD2-CG 3.95Å; F202-Y259 AromaticContact CD2-CZ 3.97Å; F202-Y259 AromaticContact CE1-CD1 4Å; F202-Y259 HydrophobicContact CE1-CD1 4Å; F202-Y259 AromaticContact CE1-CE1 3.69Å; F202-Y259 HydrophobicContact CE1-CE1 3.69Å; F202-Y259 AromaticContact CE2-CD1 3.44Å; F202-Y259 HydrophobicContact CE2-CD1 3.44Å; F202-Y259 VanDerWaalsContact CE2-CD1 3.44Å; F202-Y259 AromaticContact CE2-CE1 3.8Å; F202-Y259 HydrophobicContact CE2-CE1 3.8Å; F202-Y259 HydrophobicContact CE2-CG 4Å; F202-Y259 AromaticContact CG-CD1 3.87Å; F202-Y259 HydrophobicContact CG-CD1 3.87Å; F202-Y259 AromaticContact CG-CE1 3.33Å; F202-Y259 HydrophobicContact CG-CE1 3.33Å; F202-Y259 HydrophobicContact CG-CE2 4.38Å; F202-Y259 AromaticContact CG-CZ 3.62Å; F202-Y259 AromaticContact CZ-CD1 3.68Å; F202-Y259 HydrophobicContact CZ-CD1 3.68Å; F202-Y259 AromaticContact CZ-CE1 3.88Å; F202-Y259 HydrophobicContact CZ-CE1 3.88Å; F202-I262 HydrophobicContact CE2-CG1 4.29Å; F202-I262 HydrophobicContact CE2-CG2 4.26Å; F202-I262 HydrophobicContact CZ-CD1 4.33Å; F202-I262 HydrophobicContact CZ-CG1 3.84Å; F202-I262 HydrophobicContact CZ-CG2 4.2Å
203A98.2Very high96.4Very high28 Ų2826.2 Ų26.223%0.23115%0.154CC..  trans-75.379.1171.400000109.6R224 Q227 L228A203-R224 HydrophobicContact CB-CG 4.12Å; A203-Q227 HydrophobicContact CB-CB 3.71Å; A203-L228 PolarHBondContact N-O 3.2Å
204S97.8Very high95.8Very high18 Ų1826 Ų2613%0.12615%0.153CC..  trans-103.6150.6-170.7-177.30000113.9F202 Y206 Y207 P255F202-S204 VanDerWaalsContact C-N 3.28Å; F202-S204 PolarHBondContact O-N 2.66Å; S204-Y206 VanDerWaalsContact C-N 3.29Å; S204-Y206 WeakPolarHBondContact OG-CD2 3.45Å; S204-Y206 PolarHBondContact OG-N 2.91Å; S204-Y207 WeakPolarHBondContact O-CD2 3.27Å; S204-P255 VanDerWaalsContact CB-CG 3.45Å; S204-P255 WeakPolarHBondContact OG-CG 3.33Å
205C97.1Very high95Very high109 Ų10928.1 Ų28.174%0.73616%0.158SC*.G310 helixtrans-73.7-17.2171.460.80000113.3Y207C205-Y207 PolarHBondContact O-N 3.16Å
206Y97.9Very high94.1Very high83 Ų8328.2 Ų28.233%0.32516%0.159SC..G310 helixtrans-74.89.1-177.4-59.6-66.9000114.4S204 P258 V280 S281 G282S204-Y206 VanDerWaalsContact C-N 3.29Å; S204-Y206 WeakPolarHBondContact OG-CD2 3.45Å; S204-Y206 PolarHBondContact OG-N 2.91Å; Y206-P258 HydrophobicContact CD2-CG 3.79Å; Y206-P258 HydrophobicContact CE2-CB 4.17Å; Y206-P258 HydrophobicContact CE2-CG 3.46Å; Y206-P258 VanDerWaalsContact CE2-CG 3.46Å; Y206-V280 WeakPolarHBondContact O-CG2 3.46Å; Y206-S281 PolarHBondContact O-OG 3.32Å; Y206-G282 WeakPolarHBondContact O-CA 3.49Å; Y206-G282 PolarHBondContact O-N 3.04Å
207Y96.7Very high93.3Very high9 Ų936.1 Ų36.14%0.03519%0.193CC..G310 helixtrans-941.6178.9-56.7-35.5000114.7F202 S204 C205 F210 R211 K254 P255 V280F202-Y207 WeakPolarHBondContact O-CE2 3.44Å; F202-Y207 PolarHBondContact O-OH 3.47Å; S204-Y207 WeakPolarHBondContact O-CD2 3.27Å; C205-Y207 PolarHBondContact O-N 3.16Å; Y207-F210 PolarHBondContact O-N 3.01Å; Y207-R211 PolarHBondContact O-N 3.42Å; Y207-R211 VanDerWaalsContact O-N 3.14Å; Y207-K254 HydrophobicContact CE1-CG 4.07Å; Y207-K254 PolarHBondContact OH-O 2.83Å; Y207-P255 HydrophobicContact CE1-CG 3.93Å; Y207-P255 WeakPolarHBondContact OH-CD 3.33Å; Y207-V280 HydrophobicContact CD1-CB 4.29Å; Y207-V280 HydrophobicContact CD1-CG1 4.46Å; Y207-V280 HydrophobicContact CD1-CG2 4.13Å; Y207-V280 HydrophobicContact CE1-CB 4.31Å; Y207-V280 HydrophobicContact CE1-CG1 4.01Å; Y207-V280 HydrophobicContact CE1-CG2 4.22Å
208G93.4Very high92.4Very high37 Ų3737 Ų3738%0.38120%0.199SC..Hα-helixtrans-45.6-63.6-175.900000113.4F210 R211G208-F210 VanDerWaalsContact C-N 3.31Å; G208-F210 PolarHBondContact O-N 3Å; G208-R211 WeakPolarHBondContact O-CB 3.39Å; G208-R211 PolarHBondContact O-N 3.18Å
209P94.7Very high91.5Very high19 Ų1940.5 Ų40.512%0.12323%0.228CC..Hα-helixtrans-63.9-31.2-177-2231.1000114.8S51 L52 R211 D212 A213 A285S51-P209 VanDerWaalsContact O-CB 3.26Å; S51-P209 WeakPolarHBondContact O-CB 3.35Å; S51-P209 WeakPolarHBondContact O-CG 3.39Å; S51-P209 WeakPolarHBondContact OG-CA 3.38Å; L52-P209 HydrophobicContact CB-CB 4.35Å; L52-P209 HydrophobicContact CD1-CB 4.23Å; P209-R211 VanDerWaalsContact C-N 3.27Å; P209-R211 PolarHBondContact O-N 3.33Å; P209-D212 PolarHBondContact O-N 3.38Å; P209-A213 PolarHBondContact O-N 2.91Å; P209-A285 HydrophobicContact CG-CB 4.3Å
210F93.4Very high90.7Very high28 Ų2845.6 Ų45.612%0.12325%0.25CS..Hα-helixtrans-63.4-33.8174.4-179.7-91.3000112.1F38 F81 Y207 G208 D212 A213 A214 S281F38-F210 AromaticContact CE1-CD2 3.93Å; F38-F210 HydrophobicContact CE1-CD2 3.93Å; F38-F210 AromaticContact CE1-CE2 3.7Å; F38-F210 HydrophobicContact CE1-CE2 3.7Å; F38-F210 HydrophobicContact CZ-CD2 4.03Å; F38-F210 HydrophobicContact CZ-CE2 4.14Å; F81-F210 AromaticContact CD1-CE2 3.88Å; F81-F210 HydrophobicContact CD1-CE2 3.88Å; F81-F210 AromaticContact CD1-CZ 3.69Å; F81-F210 HydrophobicContact CD1-CZ 3.69Å; F81-F210 AromaticContact CE1-CE2 3.71Å; F81-F210 HydrophobicContact CE1-CE2 3.71Å; F81-F210 AromaticContact CE1-CZ 3.59Å; F81-F210 HydrophobicContact CE1-CZ 3.59Å; F81-F210 HydrophobicContact CE2-CE2 4.44Å; F81-F210 HydrophobicContact CG-CE2 4.31Å; F81-F210 HydrophobicContact CG-CZ 4.48Å; F81-F210 HydrophobicContact CZ-CE2 4.03Å; F81-F210 HydrophobicContact CZ-CZ 4.34Å; Y207-F210 PolarHBondContact O-N 3.01Å; G208-F210 VanDerWaalsContact C-N 3.31Å; G208-F210 PolarHBondContact O-N 3Å; F210-D212 VanDerWaalsContact C-N 3.28Å; F210-D212 PolarHBondContact O-N 3.45Å; F210-A213 PolarHBondContact O-N 2.93Å; F210-A214 HydrophobicContact CD1-CB 4.27Å; F210-A214 HydrophobicContact CE1-CB 3.79Å; F210-A214 HydrophobicContact CE2-CB 4.5Å; F210-A214 HydrophobicContact CZ-CB 3.92Å; F210-A214 WeakPolarHBondContact O-CB 3.24Å; F210-A214 PolarHBondContact O-N 3.04Å; F210-S281 VanDerWaalsContact CB-OG 3.32Å; F210-S281 WeakPolarHBondContact CB-OG 3.39Å; F210-S281 PolarHBondContact N-OG 2.73Å
211R90.6Very high90.3Very high58 Ų5848.9 Ų48.922%0.21928%0.284CS..Hα-helixtrans-65.7-34.6177.7-67.6-177.9178.3-78.57.1111.8Y207 G208 P209 Q215 S216Y207-R211 PolarHBondContact O-N 3.42Å; Y207-R211 VanDerWaalsContact O-N 3.14Å; G208-R211 WeakPolarHBondContact O-CB 3.39Å; G208-R211 PolarHBondContact O-N 3.18Å; P209-R211 VanDerWaalsContact C-N 3.27Å; P209-R211 PolarHBondContact O-N 3.33Å; R211-Q215 WeakPolarHBondContact O-CA 3.4Å; R211-Q215 PolarHBondContact O-N 3.43Å; R211-S216 PolarHBondContact O-N 3.37Å
212D88.7Confident89.9Confident96 Ų9651.8 Ų51.851%0.51330%0.3SS..Hα-helixtrans-69.4-46.4172.9-57-22.6000110.4S51 P209 F210 A214 Q215S51-D212 VanDerWaalsContact CB-OD2 3.26Å; S51-D212 WeakPolarHBondContact CB-OD2 3.46Å; S51-D212 WeakPolarHBondContact OG-CB 3.21Å; S51-D212 PolarHBondContact OG-OD2 3.27Å; P209-D212 PolarHBondContact O-N 3.38Å; F210-D212 VanDerWaalsContact C-N 3.28Å; F210-D212 PolarHBondContact O-N 3.45Å; D212-A214 PolarHBondContact O-N 2.86Å; D212-Q215 PolarHBondContact O-N 3.2Å
213A87.8Confident89.7Confident0 Ų052.4 Ų52.40%030%0.302CS..Hα-helixtrans-58.3-45.1179.100000113F38 I49 R57 P209 F210F38-A213 HydrophobicContact CD1-CB 4.05Å; F38-A213 HydrophobicContact CE1-CB 3.6Å; F38-A213 HydrophobicContact CE2-CB 4.14Å; F38-A213 HydrophobicContact CG-CB 4.5Å; F38-A213 HydrophobicContact CZ-CB 3.65Å; I49-A213 HydrophobicContact CD1-CB 3.64Å; I49-A213 HydrophobicContact CG1-CB 4.3Å; I49-A213 HydrophobicContact CG2-CB 4.05Å; R57-A213 WeakPolarHBondContact CD-O 3.41Å; P209-A213 PolarHBondContact O-N 2.91Å; F210-A213 PolarHBondContact O-N 2.93Å
214A85.1Confident89.5Confident4 Ų459.7 Ų59.73%0.03332%0.324CS..THydrogen-bonded Turntrans-94.3-1.6-175.400000113.9F210 D212 S216F210-A214 HydrophobicContact CD1-CB 4.27Å; F210-A214 HydrophobicContact CE1-CB 3.79Å; F210-A214 HydrophobicContact CE2-CB 4.5Å; F210-A214 HydrophobicContact CZ-CB 3.92Å; F210-A214 WeakPolarHBondContact O-CB 3.24Å; F210-A214 PolarHBondContact O-N 3.04Å; D212-A214 PolarHBondContact O-N 2.86Å; A214-S216 WeakPolarHBondContact CB-OG 3.44Å; A214-S216 PolarHBondContact O-N 2.92Å; A214-S216 VanDerWaalsContact O-N 3.09Å
215Q83.7Confident89.4Confident88 Ų8864.4 Ų64.441%0.41136%0.356SS..THydrogen-bonded Turntrans44.943.3-175.6-62.2-172.1-38.300113.7V83 K89 R211 D212V83-Q215 HydrophobicContact CG1-CB 4.39Å; V83-Q215 HydrophobicContact CG1-CG 4.28Å; K89-Q215 PolarHBondContact NZ-O 2.95Å; R211-Q215 WeakPolarHBondContact O-CA 3.4Å; R211-Q215 PolarHBondContact O-N 3.43Å; D212-Q215 PolarHBondContact O-N 3.2Å
216S79.5Confident89.4Confident2 Ų260.1 Ų60.11%0.01432%0.324CS..  trans-124.235.4-167.162.90000113.1R211 A214 R223R211-S216 PolarHBondContact O-N 3.37Å; A214-S216 WeakPolarHBondContact CB-OG 3.44Å; A214-S216 PolarHBondContact O-N 2.92Å; A214-S216 VanDerWaalsContact O-N 3.09Å; S216-R223 PolarHBondContact O-NH2 3.24Å
217K82.4Confident89.4Confident167 Ų16756.5 Ų56.573%0.72631%0.31SS*.  trans-66.2132.4172.5-168.7179.4177.9-177.10109.3
218P78.9Confident89.5Confident20 Ų2056.8 Ų56.813%0.1331%0.312CS..  trans-60.8139.6174.127.1-35.1000109.6F220P218-F220 VanDerWaalsContact C-N 3.33Å
219A79.4Confident89.7Confident74 Ų7458.3 Ų58.361%0.61232%0.316SS*.SBendtrans-70.6-32.7-178.900000111.8H131H131-A219 WeakPolarHBondContact O-CB 3.31Å; H131-A219 PolarHBondContact O-N 2.92Å
220F83.8Confident89.9Confident106 Ų10660.2 Ų60.247%0.46533%0.333SS..SBendtrans-143.9167.4176.660-91.7000110.9H131 H133 L137 P218H131-F220 HydrophobicContact CB-CE1 3.81Å; H131-F220 HydrophobicContact CB-CZ 4.36Å; H133-F220 AromaticContact NE2-CD2 3.96Å; H133-F220 AromaticContact NE2-CE2 3.73Å; H133-F220 AromaticContact NE2-CZ 3.98Å; H133-F220 PolarHBondContact NE2-O 3.36Å; L137-F220 HydrophobicContact CD1-CE1 4.49Å; L137-F220 HydrophobicContact CD1-CE2 4.4Å; L137-F220 HydrophobicContact CD1-CZ 3.63Å; P218-F220 VanDerWaalsContact C-N 3.33Å
221G89.3Confident90.1Very high69 Ų6962.6 Ų62.671%0.71137%0.365SS*.SBendtrans57.2-147.7177.700000113.6
222D90.7Very high90.5Very high72 Ų7260.8 Ų60.839%0.38536%0.363SS..  trans-143.3-170.2176.168.242.4000111.8H133 R224H133-D222 PolarHBondContact CE1-O 2.92Å; D222-R224 WeakPolarHBondContact OD1-CB 3.43Å; D222-R224 VanDerWaalsContact OD1-CG 3.28Å; D222-R224 WeakPolarHBondContact OD1-CG 3.36Å; D222-R224 PolarHBondContact OD1-N 2.93Å; D222-R224 VanDerWaalsContact OD2-CD 3.27Å; D222-R224 WeakPolarHBondContact OD2-CD 3.47Å; D222-R224 IonicContact OD2-NE 2.69Å
223R93.8Very high90.9Very high13 Ų1362.7 Ų62.75%0.04936%0.363CS..SBendtrans-104.69.3-178.6-53.7-155.2167.7172.3-1.2113.6C126 G132 S216 C225 Y226 Q227C126-R223 VanDerWaalsContact CB-NH2 3.35Å; G132-R223 PolarHBondContact O-NH2 3.34Å; S216-R223 PolarHBondContact O-NH2 3.24Å; R223-C225 PolarHBondContact O-N 3.27Å; R223-Y226 HydrophobicContact CB-CE1 4.03Å; R223-Y226 HydrophobicContact CB-CE2 3.79Å; R223-Y226 VanDerWaalsContact CB-CZ 3.5Å; R223-Y226 WeakPolarHBondContact CD-OH 3.35Å; R223-Y226 HydrophobicContact CG-CE1 4.44Å; R223-Y226 HydrophobicContact CG-CE2 4.17Å; R223-Y226 WeakPolarHBondContact CG-OH 3.19Å; R223-Y226 PolarHBondContact NE-OH 3.11Å; R223-Y226 PolarHBondContact O-N 2.84Å; R223-Q227 HydrophobicContact CB-CB 4.45Å; R223-Q227 HydrophobicContact CB-CG 3.9Å; R223-Q227 VanDerWaalsContact O-CB 3.29Å; R223-Q227 WeakPolarHBondContact O-CB 3.22Å; R223-Q227 PolarHBondContact O-N 3.49Å
224R95.3Very high91.5Very high181 Ų18165 Ų6568%0.68339%0.386SS*.THydrogen-bonded Turntrans-72.9-14.4-171.7-63.2177.2179.6-174.4-0.9113.7A203 D222 Y226A203-R224 HydrophobicContact CB-CG 4.12Å; D222-R224 WeakPolarHBondContact OD1-CB 3.43Å; D222-R224 VanDerWaalsContact OD1-CG 3.28Å; D222-R224 WeakPolarHBondContact OD1-CG 3.36Å; D222-R224 PolarHBondContact OD1-N 2.93Å; D222-R224 VanDerWaalsContact OD2-CD 3.27Å; D222-R224 WeakPolarHBondContact OD2-CD 3.47Å; D222-R224 IonicContact OD2-NE 2.69Å; R224-Y226 PolarHBondContact O-N 3.09Å
225C95.2Very high92.1Very high118 Ų11868.4 Ų68.480%0.79740%0.403SS*.THydrogen-bonded Turntrans-79.1-2.8175-61.80000114R223R223-C225 PolarHBondContact O-N 3.27Å
226Y96.1Very high92.8Very high19 Ų1964.2 Ų64.28%0.07538%0.384CS..THydrogen-bonded Turntrans-145.5-35.5178.451.8-85.7000112.9H133 C134 L143 D171 M172 M173 R223 R224H133-Y226 AromaticContact ND1-CE1 3.99Å; C134-Y226 HydrophobicContact CB-CD2 4.49Å; C134-Y226 HydrophobicContact CB-CE2 3.8Å; L143-Y226 HydrophobicContact CD1-CD1 3.6Å; L143-Y226 HydrophobicContact CD1-CE1 4.33Å; L143-Y226 HydrophobicContact CD1-CG 4.07Å; D171-Y226 WeakPolarHBondContact O-CD2 3.43Å; M172-Y226 HydrophobicContact CB-CD2 4.33Å; M172-Y226 WeakPolarHBondContact CB-O 3.31Å; M173-Y226 HydrophobicContact CE-CD2 4.2Å; M173-Y226 HydrophobicContact CE-CG 4.16Å; R223-Y226 HydrophobicContact CB-CE1 4.03Å; R223-Y226 HydrophobicContact CB-CE2 3.79Å; R223-Y226 VanDerWaalsContact CB-CZ 3.5Å; R223-Y226 WeakPolarHBondContact CD-OH 3.35Å; R223-Y226 HydrophobicContact CG-CE1 4.44Å; R223-Y226 HydrophobicContact CG-CE2 4.17Å; R223-Y226 WeakPolarHBondContact CG-OH 3.19Å; R223-Y226 PolarHBondContact NE-OH 3.11Å; R223-Y226 PolarHBondContact O-N 2.84Å; R224-Y226 PolarHBondContact O-N 3.09Å
227Q98.1Very high93.8Very high7 Ų765.4 Ų65.43%0.03339%0.39CS..SBendtrans-72.9135.4166.8-63.4-175.7-15.300109.9A203 R223A203-Q227 HydrophobicContact CB-CB 3.71Å; R223-Q227 HydrophobicContact CB-CB 4.45Å; R223-Q227 HydrophobicContact CB-CG 3.9Å; R223-Q227 VanDerWaalsContact O-CB 3.29Å; R223-Q227 WeakPolarHBondContact O-CB 3.22Å; R223-Q227 PolarHBondContact O-N 3.49Å
228L98.6Very high94.5Very high15 Ų1565.6 Ų65.68%0.07939%0.386CS..BIsolated β-bridgetrans-66.1136.2-171-58.4174.3000111.7M172 A200 K201 F202 A203 L235 A236M172-L228 HydrophobicContact CE-CD1 4.1Å; M172-L228 HydrophobicContact CE-CD2 3.82Å; M172-L228 HydrophobicContact CE-CG 3.65Å; A200-L228 HydrophobicContact CB-CD1 4.41Å; K201-L228 PolarHBondContact O-N 2.92Å; F202-L228 CarbonylContact C-O 3.59Å; F202-L228 VanDerWaalsContact CA-O 3.25Å; F202-L228 WeakPolarHBondContact CA-O 3.25Å; F202-L228 HydrophobicContact CD1-CB 3.71Å; F202-L228 HydrophobicContact CE1-CB 4.04Å; F202-L228 HydrophobicContact CE1-CD1 4.34Å; F202-L228 HydrophobicContact CG-CB 4.25Å; F202-L228 HydrophobicContact CZ-CD1 4.39Å; A203-L228 PolarHBondContact N-O 3.2Å; L228-L235 HydrophobicContact CD2-CB 4.03Å; L228-A236 HydrophobicContact CD1-CB 3.77Å
229P98.6Very high95.5Very high69 Ų6965 Ų6545%0.44838%0.383SS..PPolyproline II helixtrans-58.4142.3171-19.729.8000110.9F202 G231 A232F202-P229 WeakPolarHBondContact CD1-O 3.46Å; P229-G231 VanDerWaalsContact C-N 3.3Å; P229-G231 PolarHBondContact O-N 3.25Å; P229-G231 VanDerWaalsContact O-N 3.17Å; P229-A232 HydrophobicContact CB-CB 3.93Å; P229-A232 HydrophobicContact CG-CB 4.08Å; P229-A232 VanDerWaalsContact O-CB 3.23Å; P229-A232 WeakPolarHBondContact O-CB 3.42Å; P229-A232 PolarHBondContact O-N 3.14Å
230A98.3Very high96.4Very high59 Ų5961.5 Ų61.549%0.48835%0.354SS..THydrogen-bonded Turntrans-53.5-42.1-171.600000114A232 Y259A230-A232 VanDerWaalsContact C-N 3.33Å; A230-A232 PolarHBondContact O-N 3.31Å; A230-Y259 WeakPolarHBondContact CB-OH 3.23Å
231G98Very high97.1Very high78 Ų7859.9 Ų59.980%0.80435%0.348SS*.THydrogen-bonded Turntrans-84.11.9178.500000115.2P229 R233P229-G231 VanDerWaalsContact C-N 3.3Å; P229-G231 PolarHBondContact O-N 3.25Å; P229-G231 VanDerWaalsContact O-N 3.17Å; G231-R233 PolarHBondContact O-N 3.38Å
232A98.4Very high97.6Very high20 Ų2058.3 Ų58.317%0.16532%0.32CS..  trans-84.556.4-169.900000113.6P229 A230 G234 L235 A236P229-A232 HydrophobicContact CB-CB 3.93Å; P229-A232 HydrophobicContact CG-CB 4.08Å; P229-A232 VanDerWaalsContact O-CB 3.23Å; P229-A232 WeakPolarHBondContact O-CB 3.42Å; P229-A232 PolarHBondContact O-N 3.14Å; A230-A232 VanDerWaalsContact C-N 3.33Å; A230-A232 PolarHBondContact O-N 3.31Å; A232-G234 VanDerWaalsContact C-N 3.3Å; A232-G234 PolarHBondContact O-N 2.82Å; A232-L235 HydrophobicContact CB-CB 4.11Å; A232-L235 HydrophobicContact CB-CD1 3.97Å; A232-L235 HydrophobicContact CB-CG 4.31Å; A232-L235 PolarHBondContact O-N 3Å; A232-A236 PolarHBondContact O-N 2.83Å; A232-A236 VanDerWaalsContact O-N 3.09Å
233R98.8Very high98Very high136 Ų13654.9 Ų54.951%0.51330%0.302SS..Hα-helixtrans-46.2-49.7177176-174.7171.5-126.2-5113.1G231 L235 A236 L237 I262 E265G231-R233 PolarHBondContact O-N 3.38Å; R233-L235 VanDerWaalsContact C-N 3.32Å; R233-L235 PolarHBondContact O-N 2.9Å; R233-A236 WeakPolarHBondContact O-CB 3.34Å; R233-A236 PolarHBondContact O-N 2.93Å; R233-L237 HydrophobicContact CG-CD1 4.47Å; R233-L237 PolarHBondContact O-N 3.19Å; R233-L237 VanDerWaalsContact O-N 3.09Å; R233-I262 HydrophobicContact CB-CD1 4.03Å; R233-I262 HydrophobicContact CG-CD1 3.88Å; R233-E265 IonicContact CZ-OE1 3.49Å; R233-E265 IonicContact CZ-OE2 3.11Å; R233-E265 IonicContact NE-OE1 2.75Å; R233-E265 PolarHBondContact NE-OE1 2.65Å; R233-E265 IonicContact NE-OE2 3.63Å; R233-E265 PolarHBondContact NE-OE2 3.1Å; R233-E265 VanDerWaalsContact NH2-CD 3.34Å; R233-E265 IonicContact NH2-OE1 3.51Å; R233-E265 IonicContact NH2-OE2 2.67Å; R233-E265 PolarHBondContact NH2-OE2 3.42Å
234G98.8Very high98.2Very high47 Ų4755.7 Ų55.749%0.48531%0.308SS..Hα-helixtrans-62.1-35.6-17900000113.7A232 R238A232-G234 VanDerWaalsContact C-N 3.3Å; A232-G234 PolarHBondContact O-N 2.82Å; G234-R238 VanDerWaalsContact O-CG 3.28Å; G234-R238 WeakPolarHBondContact O-CG 3.37Å; G234-R238 PolarHBondContact O-N 2.96Å
235L98.8Very high98.4Very high76 Ų7656 Ų5640%0.39831%0.309SS..Hα-helixtrans-70.7-40.3175.1-71.2177.1000111.4L228 A232 R233 L237 R238 A239L228-L235 HydrophobicContact CD2-CB 4.03Å; A232-L235 HydrophobicContact CB-CB 4.11Å; A232-L235 HydrophobicContact CB-CD1 3.97Å; A232-L235 HydrophobicContact CB-CG 4.31Å; A232-L235 PolarHBondContact O-N 3Å; R233-L235 VanDerWaalsContact C-N 3.32Å; R233-L235 PolarHBondContact O-N 2.9Å; L235-L237 PolarHBondContact O-N 2.87Å; L235-R238 PolarHBondContact O-N 2.86Å; L235-A239 WeakPolarHBondContact O-CB 3.46Å; L235-A239 PolarHBondContact O-N 3.07Å
236A98.9Very high98.6Very high0 Ų052 Ų520%028%0.279CS..Hα-helixtrans-57.9-48.8176.400000111.9A200 F202 L228 A232 R233 R238 A239 V240 I262A200-A236 HydrophobicContact CB-CB 4.14Å; F202-A236 HydrophobicContact CE1-CB 4.22Å; F202-A236 HydrophobicContact CE2-CB 4.49Å; F202-A236 HydrophobicContact CZ-CB 3.64Å; L228-A236 HydrophobicContact CD1-CB 3.77Å; A232-A236 PolarHBondContact O-N 2.83Å; A232-A236 VanDerWaalsContact O-N 3.09Å; R233-A236 WeakPolarHBondContact O-CB 3.34Å; R233-A236 PolarHBondContact O-N 2.93Å; A236-R238 VanDerWaalsContact C-N 3.34Å; A236-R238 PolarHBondContact O-N 3.31Å; A236-A239 PolarHBondContact O-N 2.99Å; A236-V240 VanDerWaalsContact O-CG2 3.25Å; A236-V240 WeakPolarHBondContact O-CG2 3.47Å; A236-V240 PolarHBondContact O-N 2.92Å; A236-I262 HydrophobicContact CB-CG2 4.17Å
237L98.9Very high98.7Very high28 Ų2852.6 Ų52.615%0.14729%0.291CS..Hα-helixtrans-65-36.3178.9-63.8177.9000112.8R233 L235 E241 E265 V266R233-L237 HydrophobicContact CG-CD1 4.47Å; R233-L237 PolarHBondContact O-N 3.19Å; R233-L237 VanDerWaalsContact O-N 3.09Å; L235-L237 PolarHBondContact O-N 2.87Å; L237-E241 VanDerWaalsContact O-CB 3.32Å; L237-E241 WeakPolarHBondContact O-CB 3.49Å; L237-E241 PolarHBondContact O-N 3.38Å; L237-E265 WeakPolarHBondContact CD1-OE2 3.32Å; L237-E265 HydrophobicContact CD2-CB 4.1Å; L237-V266 HydrophobicContact CD2-CG2 4.15Å
238R98.9Very high98.7Very high171 Ų17152.4 Ų52.465%0.64529%0.291SS*.Hα-helixtrans-68.1-38.6175.3-74.7174.563.2-143.9-4.7112.3G234 L235 A236 R242G234-R238 VanDerWaalsContact O-CG 3.28Å; G234-R238 WeakPolarHBondContact O-CG 3.37Å; G234-R238 PolarHBondContact O-N 2.96Å; L235-R238 PolarHBondContact O-N 2.86Å; A236-R238 VanDerWaalsContact C-N 3.34Å; A236-R238 PolarHBondContact O-N 3.31Å; R238-R242 WeakPolarHBondContact O-CB 3.39Å; R238-R242 PolarHBondContact O-N 2.94Å
239A98.9Very high98.8Very high7 Ų754.6 Ų54.66%0.05830%0.302CS..Hα-helixtrans-66.5-43.8176.300000111.3S199 L235 A236 R242 D243S199-A239 WeakPolarHBondContact O-CB 3.35Å; L235-A239 WeakPolarHBondContact O-CB 3.46Å; L235-A239 PolarHBondContact O-N 3.07Å; A236-A239 PolarHBondContact O-N 2.99Å; A239-R242 WeakPolarHBondContact O-CB 3.35Å; A239-R242 PolarHBondContact O-N 2.91Å; A239-D243 VanDerWaalsContact O-CG 3.23Å; A239-D243 PolarHBondContact O-N 3.46Å
240V98.9Very high98.8Very high1 Ų152.3 Ų52.31%0.00629%0.286CS..Hα-helixtrans-60.6-48.4174175.70000111.2A200 A236 R242 D243 V244 L251 V266 F270A200-V240 HydrophobicContact CB-CG2 4.02Å; A236-V240 VanDerWaalsContact O-CG2 3.25Å; A236-V240 WeakPolarHBondContact O-CG2 3.47Å; A236-V240 PolarHBondContact O-N 2.92Å; V240-R242 VanDerWaalsContact C-N 3.31Å; V240-R242 PolarHBondContact O-N 2.79Å; V240-D243 PolarHBondContact O-N 3.4Å; V240-D243 VanDerWaalsContact O-N 3.15Å; V240-V244 WeakPolarHBondContact O-CG2 3.28Å; V240-V244 PolarHBondContact O-N 2.57Å; V240-L251 HydrophobicContact CG1-CD1 3.77Å; V240-L251 HydrophobicContact CG1-CD2 4.28Å; V240-V266 HydrophobicContact CB-CG2 4.38Å; V240-V266 HydrophobicContact CG1-CG1 3.9Å; V240-V266 HydrophobicContact CG1-CG2 4.18Å; V240-V266 HydrophobicContact CG2-CG2 3.8Å; V240-F270 HydrophobicContact CB-CE2 4.33Å; V240-F270 HydrophobicContact CG1-CD2 3.63Å; V240-F270 HydrophobicContact CG1-CE2 3.55Å; V240-F270 HydrophobicContact CG1-CZ 4.49Å
241E98.9Very high98.8Very high72 Ų7249.6 Ų49.634%0.33626%0.263SS..Hα-helixtrans-62.2-37.2177.9-175.3173171.700112.9L237 R245 K269 F270L237-E241 VanDerWaalsContact O-CB 3.32Å; L237-E241 WeakPolarHBondContact O-CB 3.49Å; L237-E241 PolarHBondContact O-N 3.38Å; E241-R245 WeakPolarHBondContact O-CG 3.24Å; E241-R245 PolarHBondContact O-N 2.83Å; E241-R245 VanDerWaalsContact O-N 3.1Å; E241-R245 PolarHBondContact O-NE 2.99Å; E241-K269 IonicContact OE2-NZ 2.94Å; E241-K269 PolarHBondContact OE2-NZ 3Å; E241-F270 HydrophobicContact CB-CE2 4.48Å; E241-F270 HydrophobicContact CB-CZ 3.74Å; E241-F270 HydrophobicContact CG-CZ 4.05Å
242R98.9Very high98.9Very high36 Ų3645.9 Ų45.914%0.13623%0.225CC..Hα-helixtrans-59.9-52.4171.4175-166.665.4-162.14.7110.3D174 R238 A239 V240 V244 R245 E246D174-R242 IonicContact OD1-CZ 3.99Å; D174-R242 IonicContact OD1-NH1 3.97Å; D174-R242 PolarHBondContact OD1-NH1 2.98Å; R238-R242 WeakPolarHBondContact O-CB 3.39Å; R238-R242 PolarHBondContact O-N 2.94Å; A239-R242 WeakPolarHBondContact O-CB 3.35Å; A239-R242 PolarHBondContact O-N 2.91Å; V240-R242 VanDerWaalsContact C-N 3.31Å; V240-R242 PolarHBondContact O-N 2.79Å; R242-V244 VanDerWaalsContact C-N 3.29Å; R242-V244 PolarHBondContact O-N 3.46Å; R242-R245 CarbonylContact O-C 3.53Å; R242-R245 WeakPolarHBondContact O-CA 3.28Å; R242-R245 WeakPolarHBondContact O-CB 3.4Å; R242-R245 PolarHBondContact O-N 3.28Å; R242-E246 VanDerWaalsContact CD-OE1 3.3Å; R242-E246 WeakPolarHBondContact CD-OE1 3.29Å; R242-E246 HydrophobicContact CG-CG 4.2Å; R242-E246 WeakPolarHBondContact CG-OE1 3.44Å; R242-E246 WeakPolarHBondContact O-CG 3.43Å; R242-E246 PolarHBondContact O-N 3.25Å
243D98.9Very high98.9Very high0 Ų045 Ų450%022%0.217CC..Hα-helixtrans-64.3-35.5-174.2-696.9000112.2R176 I177 S197 S199 A239 V240 E246 G247 A248R176-D243 IonicContact CZ-OD1 3.55Å; R176-D243 IonicContact CZ-OD2 3.82Å; R176-D243 VanDerWaalsContact CZ-OD2 3.24Å; R176-D243 IonicContact NH1-OD1 2.73Å; R176-D243 PolarHBondContact NH1-OD1 3.09Å; R176-D243 IonicContact NH1-OD2 3.55Å; R176-D243 PolarHBondContact NH1-OD2 3.45Å; R176-D243 IonicContact NH2-OD1 3.47Å; R176-D243 IonicContact NH2-OD2 2.95Å; R176-D243 PolarHBondContact NH2-OD2 3.01Å; I177-D243 HydrophobicContact CG1-CB 4.08Å; S197-D243 PolarHBondContact OG-OD2 2.87Å; S199-D243 WeakPolarHBondContact CA-OD2 3.41Å; A239-D243 VanDerWaalsContact O-CG 3.23Å; A239-D243 PolarHBondContact O-N 3.46Å; V240-D243 PolarHBondContact O-N 3.4Å; V240-D243 VanDerWaalsContact O-N 3.15Å; D243-E246 PolarHBondContact O-N 2.98Å; D243-G247 PolarHBondContact O-N 3.22Å; D243-G247 VanDerWaalsContact O-N 3.15Å; D243-A248 HydrophobicContact CB-CB 4.27Å; D243-A248 VanDerWaalsContact O-CB 3.32Å; D243-A248 WeakPolarHBondContact O-CB 3.4Å; D243-A248 PolarHBondContact O-N 3.49Å
244V98.9Very high98.9Very high30 Ų3038.8 Ų38.818%0.18219%0.194CC..Hα-helixtrans-59.5-50.3169.1170.50000110.9V240 R242 E246 G247 L251 F270V240-V244 WeakPolarHBondContact O-CG2 3.28Å; V240-V244 PolarHBondContact O-N 2.57Å; R242-V244 VanDerWaalsContact C-N 3.29Å; R242-V244 PolarHBondContact O-N 3.46Å; V244-E246 PolarHBondContact O-N 3.26Å; V244-G247 PolarHBondContact O-N 2.9Å; V244-L251 HydrophobicContact CG2-CD1 3.8Å; V244-L251 HydrophobicContact CG2-CD2 3.7Å; V244-L251 HydrophobicContact CG2-CG 4.29Å; V244-F270 HydrophobicContact CB-CD1 4.41Å; V244-F270 HydrophobicContact CB-CE1 4.26Å; V244-F270 HydrophobicContact CG1-CD1 4.18Å; V244-F270 HydrophobicContact CG1-CE1 4.19Å; V244-F270 HydrophobicContact CG2-CD1 3.84Å; V244-F270 HydrophobicContact CG2-CE1 4.02Å; V244-F270 HydrophobicContact CG2-CG 4.12Å; V244-F270 HydrophobicContact CG2-CZ 4.47Å
245R98.9Very high98.9Very high186 Ų18636.6 Ų36.670%0.70217%0.171SC*.Hα-helixtrans-63-29.6178.3-73.4-177.5-63.11511.2113.2E241 R242 G247E241-R245 WeakPolarHBondContact O-CG 3.24Å; E241-R245 PolarHBondContact O-N 2.83Å; E241-R245 VanDerWaalsContact O-N 3.1Å; E241-R245 PolarHBondContact O-NE 2.99Å; R242-R245 CarbonylContact O-C 3.53Å; R242-R245 WeakPolarHBondContact O-CA 3.28Å; R242-R245 WeakPolarHBondContact O-CB 3.4Å; R242-R245 PolarHBondContact O-N 3.28Å; R245-G247 VanDerWaalsContact C-N 3.27Å
246E98.9Very high98.9Very high35 Ų3533 Ų3316%0.16415%0.152CC..THydrogen-bonded Turntrans-82.3-5.4177-69.9-176-16600113.4G175 I177 R178 R242 D243 V244G175-E246 WeakPolarHBondContact CA-OE1 3.41Å; G175-E246 WeakPolarHBondContact CA-OE2 3.45Å; I177-E246 HydrophobicContact CB-CB 3.84Å; I177-E246 WeakPolarHBondContact CB-OE2 3.42Å; I177-E246 HydrophobicContact CG2-CB 3.84Å; I177-E246 PolarHBondContact N-OE2 2.89Å; R178-E246 HydrophobicContact CB-CB 4.03Å; R178-E246 HydrophobicContact CB-CG 3.87Å; R178-E246 PolarHBondContact N-OE2 2.8Å; R242-E246 VanDerWaalsContact CD-OE1 3.3Å; R242-E246 WeakPolarHBondContact CD-OE1 3.29Å; R242-E246 HydrophobicContact CG-CG 4.2Å; R242-E246 WeakPolarHBondContact CG-OE1 3.44Å; R242-E246 WeakPolarHBondContact O-CG 3.43Å; R242-E246 PolarHBondContact O-N 3.25Å; D243-E246 PolarHBondContact O-N 2.98Å; V244-E246 PolarHBondContact O-N 3.26Å
247G98.8Very high98.9Very high32 Ų3235 Ų3533%0.3316%0.163SC..THydrogen-bonded Turntrans99.123.117100000115.2K181 D243 V244 R245 D249K181-G247 WeakPolarHBondContact CE-O 3.23Å; D243-G247 PolarHBondContact O-N 3.22Å; D243-G247 VanDerWaalsContact O-N 3.15Å; V244-G247 PolarHBondContact O-N 2.9Å; R245-G247 VanDerWaalsContact C-N 3.27Å; G247-D249 PolarHBondContact O-N 3.25Å
248A98.9Very high98.8Very high3 Ų336.2 Ų36.23%0.02517%0.173CC..  trans-57.3129.2171.400000110.8I177 D243 L251I177-A248 HydrophobicContact CG2-CB 4.04Å; D243-A248 HydrophobicContact CB-CB 4.27Å; D243-A248 VanDerWaalsContact O-CB 3.32Å; D243-A248 WeakPolarHBondContact O-CB 3.4Å; D243-A248 PolarHBondContact O-N 3.49Å; A248-L251 HydrophobicContact CB-CD2 4.15Å
249D98.9Very high98.8Very high60 Ų6029 Ų2932%0.32115%0.145SC..SBendtrans-78.5-29.4179.1-51.9-73.3000111.2K181 S194 V195 G247K181-D249 WeakPolarHBondContact CE-OD2 3.44Å; K181-D249 IonicContact NZ-OD1 2.98Å; K181-D249 PolarHBondContact NZ-OD1 3.4Å; K181-D249 IonicContact NZ-OD2 3.63Å; K181-D249 PolarHBondContact NZ-OD2 2.78Å; S194-D249 WeakPolarHBondContact CA-OD2 3.42Å; V195-D249 PolarHBondContact N-OD2 2.87Å; V195-D249 PolarHBondContact O-N 3Å; G247-D249 PolarHBondContact O-N 3.25Å
250M98.9Very high98.8Very high22 Ų2230.6 Ų30.611%0.10815%0.153CC..BIsolated β-bridgetrans-140.9150.7178.9-59.6174.3-88.800110.1I166 V195 L196 S197 P274 I316I166-M250 HydrophobicContact CD1-CE 4Å; I166-M250 HydrophobicContact CG1-CE 4.23Å; I166-M250 HydrophobicContact CG2-CE 4.1Å; V195-M250 PolarHBondContact O-N 3.16Å; L196-M250 HydrophobicContact CB-CB 4.35Å; L196-M250 HydrophobicContact CB-CE 4.22Å; L196-M250 HydrophobicContact CD1-CB 3.47Å; L196-M250 VanDerWaalsContact CD1-CB 3.47Å; L196-M250 HydrophobicContact CG-CB 4.49Å; S197-M250 PolarHBondContact N-O 2.96Å; M250-P274 HydrophobicContact CG-CB 3.94Å; M250-P274 HydrophobicContact CG-CG 4.02Å; M250-I316 HydrophobicContact SD-CD1 3.68Å
251L98.9Very high98.8Very high1 Ų134.7 Ų34.71%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-111.6159.8-176.5-55.9172.2000110.4S197 S199 V240 V244 A248 V266 F270 H273 P274 L275 A276S197-L251 CarbonylContact O-C 3.49Å; S199-L251 WeakPolarHBondContact OG-CD2 3.36Å; V240-L251 HydrophobicContact CG1-CD1 3.77Å; V240-L251 HydrophobicContact CG1-CD2 4.28Å; V244-L251 HydrophobicContact CG2-CD1 3.8Å; V244-L251 HydrophobicContact CG2-CD2 3.7Å; V244-L251 HydrophobicContact CG2-CG 4.29Å; A248-L251 HydrophobicContact CB-CD2 4.15Å; L251-V266 HydrophobicContact CD1-CG1 4.11Å; L251-F270 HydrophobicContact CD1-CB 3.97Å; L251-F270 HydrophobicContact CD1-CD2 4.38Å; L251-F270 HydrophobicContact CD1-CG 4.29Å; L251-H273 HydrophobicContact CD1-CB 3.87Å; L251-H273 HydrophobicContact CG-CB 4.15Å; L251-P274 PolarHBondContact N-O 3.47Å; L251-P274 VanDerWaalsContact N-O 3.07Å; L251-L275 HydrophobicContact CB-CD1 3.89Å; L251-A276 WeakPolarHBondContact O-CB 3.34Å; L251-A276 PolarHBondContact O-N 3Å
252M98.9Very high98.8Very high1 Ų131.4 Ų31.41%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-144.3141.7176.3-169.4-169.7-52.800113.5L196 S197 Y198 S199 A200 A276 Y278 I318L196-M252 HydrophobicContact CD1-CB 4.35Å; L196-M252 HydrophobicContact CD1-CE 4.01Å; L196-M252 HydrophobicContact CD2-CE 3.62Å; L196-M252 HydrophobicContact CG-CE 3.61Å; S197-M252 WeakPolarHBondContact O-CB 3.45Å; S197-M252 PolarHBondContact O-N 3.38Å; Y198-M252 HydrophobicContact CD1-CE 4.32Å; Y198-M252 HydrophobicContact CD1-SD 3.51Å; Y198-M252 VanDerWaalsContact CD1-SD 3.51Å; Y198-M252 HydrophobicContact CD2-CE 4.07Å; Y198-M252 HydrophobicContact CD2-SD 4.32Å; Y198-M252 HydrophobicContact CE1-CE 4.16Å; Y198-M252 HydrophobicContact CE1-SD 3.51Å; Y198-M252 VanDerWaalsContact CE1-SD 3.51Å; Y198-M252 HydrophobicContact CE2-CE 3.96Å; Y198-M252 HydrophobicContact CE2-SD 4.35Å; Y198-M252 HydrophobicContact CG-CE 4.3Å; Y198-M252 HydrophobicContact CG-SD 3.97Å; S199-M252 PolarHBondContact N-O 3.09Å; A200-M252 PolarHBondContact N-O 3.24Å; M252-A276 VanDerWaalsContact CA-O 3.25Å; M252-A276 WeakPolarHBondContact CA-O 3.46Å; M252-A276 HydrophobicContact CB-CB 4.1Å; M252-A276 HydrophobicContact CE-CB 4.32Å; M252-A276 HydrophobicContact CG-CB 3.93Å; M252-Y278 HydrophobicContact SD-CD2 4.08Å; M252-I318 HydrophobicContact CE-CD1 3.28Å; M252-I318 HydrophobicContact SD-CD1 3.74Å
253V98.9Very high98.8Very high0 Ų029.7 Ų29.70%015%0.153CC..EExtended strand (participates in β ladder)trans-106.1131.9165.3-176.30000110.1A200 F202 I262 M263 L275 A276 Y278A200-V253 HydrophobicContact CB-CG2 4.34Å; F202-V253 HydrophobicContact CE2-CG1 4.47Å; V253-I262 HydrophobicContact CG1-CB 4.4Å; V253-I262 HydrophobicContact CG1-CG2 4.26Å; V253-I262 HydrophobicContact CG2-CG2 4.19Å; V253-M263 HydrophobicContact CG2-CB 4.28Å; V253-L275 HydrophobicContact CG2-CD1 4.37Å; V253-A276 PolarHBondContact N-O 3.06Å; V253-A276 VanDerWaalsContact N-O 3.08Å; V253-Y278 PolarHBondContact O-N 3.4Å; V253-Y278 VanDerWaalsContact O-N 3.1Å
254K98.9Very high98.8Very high7 Ų734 Ų343%0.0317%0.169CC..EExtended strand (participates in β ladder)trans-145.5124.7178.5177.9169.2-177.7164.40110.8Y198 A200 K201 F202 Y207 Y278 V280Y198-K254 HydrophobicContact CD1-CB 4.41Å; Y198-K254 HydrophobicContact CD1-CD 3.69Å; Y198-K254 HydrophobicContact CE1-CD 3.51Å; A200-K254 PolarHBondContact O-N 3.1Å; K201-K254 VanDerWaalsContact CA-O 3.31Å; K201-K254 WeakPolarHBondContact CA-O 3.44Å; K201-K254 HydrophobicContact CG-CB 4.48Å; K201-K254 HydrophobicContact CG-CD 4.49Å; K201-K254 HydrophobicContact CG-CG 4.48Å; F202-K254 PolarHBondContact N-O 3.42Å; Y207-K254 HydrophobicContact CE1-CG 4.07Å; Y207-K254 PolarHBondContact OH-O 2.83Å; K254-Y278 HydrophobicContact CD-CD2 3.84Å; K254-Y278 HydrophobicContact CD-CG 3.91Å; K254-Y278 HydrophobicContact CG-CG 4.37Å; K254-V280 HydrophobicContact CD-CG1 4.24Å; K254-V280 HydrophobicContact CG-CG1 3.71Å
255P98.8Very high98.8Very high0 Ų034.8 Ų34.80%017%0.171CC..SBendcis-67.3178.9-1.2-15.729000115.4S204 Y207 Y259 V280 E283S204-P255 VanDerWaalsContact CB-CG 3.45Å; S204-P255 WeakPolarHBondContact OG-CG 3.33Å; Y207-P255 HydrophobicContact CE1-CG 3.93Å; Y207-P255 WeakPolarHBondContact OH-CD 3.33Å; P255-Y259 HydrophobicContact CB-CD2 4.03Å; P255-Y259 HydrophobicContact CB-CE2 4.18Å; P255-Y259 VanDerWaalsContact CD-CE2 3.41Å; P255-Y259 HydrophobicContact CG-CD2 4.05Å; P255-Y259 HydrophobicContact CG-CE2 3.73Å; P255-V280 HydrophobicContact CB-CG1 4.03Å; P255-V280 HydrophobicContact CB-CG2 3.96Å; P255-V280 HydrophobicContact CG-CG2 4.41Å; P255-E283 WeakPolarHBondContact CB-OE1 3.24Å
256G98.6Very high98.8Very high0 Ų026 Ų260%014%0.138CC..SBendtrans-90.5-83.7-176.900000113.8P258 Y259 L260 Y278 E283G256-P258 VanDerWaalsContact C-N 3.34Å; G256-Y259 CarbonylContact O-C 3.24Å; G256-Y259 PolarHBondContact O-N 3.1Å; G256-L260 PolarHBondContact O-N 2.91Å; G256-Y278 PolarHBondContact N-O 3.37Å; G256-E283 PolarHBondContact N-OE1 2.93Å
257L98.4Very high98.8Very high43 Ų4325.7 Ų25.723%0.22514%0.136CC..G310 helixtrans-52.6-40.8-170.1-73.2172.2000114.4Y259 L260 E283 M286 A305 F309L257-Y259 PolarHBondContact O-N 3.46Å; L257-L260 WeakPolarHBondContact O-CG 3.05Å; L257-E283 WeakPolarHBondContact CB-OE2 3.42Å; L257-E283 WeakPolarHBondContact CG-OE2 3.28Å; L257-E283 PolarHBondContact N-OE2 3.37Å; L257-M286 HydrophobicContact CD1-CE 4.2Å; L257-A305 HydrophobicContact CD1-CB 4.25Å; L257-A305 HydrophobicContact CD2-CB 4.02Å; L257-F309 HydrophobicContact CD2-CE1 3.78Å; L257-F309 HydrophobicContact CD2-CZ 3.91Å; L257-F309 HydrophobicContact CG-CE1 3.9Å; L257-F309 HydrophobicContact CG-CZ 3.77Å
258P98.8Very high98.8Very high54 Ų5428.9 Ų28.935%0.35115%0.146SC..G310 helixtrans-74.6-5.2-179.1-12.127.9000114.3Y206 G256Y206-P258 HydrophobicContact CD2-CG 3.79Å; Y206-P258 HydrophobicContact CE2-CB 4.17Å; Y206-P258 HydrophobicContact CE2-CG 3.46Å; Y206-P258 VanDerWaalsContact CE2-CG 3.46Å; G256-P258 VanDerWaalsContact C-N 3.34Å
259Y98.9Very high98.8Very high18 Ų1833.3 Ų33.37%0.07116%0.164CC..G310 helixtrans-131.829.6-172.2-61.4-89.2000112.3F202 A230 P255 G256 L257 D261 I262 M263F202-Y259 HydrophobicContact CB-CE1 3.95Å; F202-Y259 HydrophobicContact CB-CE2 4.3Å; F202-Y259 HydrophobicContact CD1-CD1 4.09Å; F202-Y259 AromaticContact CD1-CE1 3.42Å; F202-Y259 HydrophobicContact CD1-CE1 3.42Å; F202-Y259 VanDerWaalsContact CD1-CE1 3.42Å; F202-Y259 AromaticContact CD2-CD1 3.54Å; F202-Y259 HydrophobicContact CD2-CD1 3.54Å; F202-Y259 HydrophobicContact CD2-CD2 4.35Å; F202-Y259 AromaticContact CD2-CE1 3.53Å; F202-Y259 HydrophobicContact CD2-CE1 3.53Å; F202-Y259 HydrophobicContact CD2-CE2 4.38Å; F202-Y259 AromaticContact CD2-CG 3.95Å; F202-Y259 HydrophobicContact CD2-CG 3.95Å; F202-Y259 AromaticContact CD2-CZ 3.97Å; F202-Y259 AromaticContact CE1-CD1 4Å; F202-Y259 HydrophobicContact CE1-CD1 4Å; F202-Y259 AromaticContact CE1-CE1 3.69Å; F202-Y259 HydrophobicContact CE1-CE1 3.69Å; F202-Y259 AromaticContact CE2-CD1 3.44Å; F202-Y259 HydrophobicContact CE2-CD1 3.44Å; F202-Y259 VanDerWaalsContact CE2-CD1 3.44Å; F202-Y259 AromaticContact CE2-CE1 3.8Å; F202-Y259 HydrophobicContact CE2-CE1 3.8Å; F202-Y259 HydrophobicContact CE2-CG 4Å; F202-Y259 AromaticContact CG-CD1 3.87Å; F202-Y259 HydrophobicContact CG-CD1 3.87Å; F202-Y259 AromaticContact CG-CE1 3.33Å; F202-Y259 HydrophobicContact CG-CE1 3.33Å; F202-Y259 HydrophobicContact CG-CE2 4.38Å; F202-Y259 AromaticContact CG-CZ 3.62Å; F202-Y259 AromaticContact CZ-CD1 3.68Å; F202-Y259 HydrophobicContact CZ-CD1 3.68Å; F202-Y259 AromaticContact CZ-CE1 3.88Å; F202-Y259 HydrophobicContact CZ-CE1 3.88Å; A230-Y259 WeakPolarHBondContact CB-OH 3.23Å; P255-Y259 HydrophobicContact CB-CD2 4.03Å; P255-Y259 HydrophobicContact CB-CE2 4.18Å; P255-Y259 VanDerWaalsContact CD-CE2 3.41Å; P255-Y259 HydrophobicContact CG-CD2 4.05Å; P255-Y259 HydrophobicContact CG-CE2 3.73Å; G256-Y259 CarbonylContact O-C 3.24Å; G256-Y259 PolarHBondContact O-N 3.1Å; L257-Y259 PolarHBondContact O-N 3.46Å; Y259-D261 VanDerWaalsContact C-OD1 3.28Å; Y259-D261 WeakPolarHBondContact CA-OD1 3.43Å; Y259-D261 PolarHBondContact O-N 3.45Å; Y259-I262 HydrophobicContact CD1-CG1 4.16Å; Y259-I262 PolarHBondContact O-N 3.13Å; Y259-M263 PolarHBondContact O-N 3.47Å
260L98.9Very high98.8Very high41 Ų4131.6 Ų31.622%0.21515%0.154CC..Hα-helixtrans-61-30175.8-68.4174.5000112.5G256 L257 M263 R264 A308 F309 A312G256-L260 PolarHBondContact O-N 2.91Å; L257-L260 WeakPolarHBondContact O-CG 3.05Å; L260-M263 HydrophobicContact CD2-CE 3.89Å; L260-M263 HydrophobicContact CD2-SD 4.47Å; L260-M263 PolarHBondContact O-N 3.28Å; L260-R264 PolarHBondContact O-N 3.34Å; L260-A308 HydrophobicContact CD1-CB 4.04Å; L260-F309 HydrophobicContact CD2-CD1 3.6Å; L260-F309 HydrophobicContact CD2-CE1 4.01Å; L260-A312 HydrophobicContact CB-CB 4.33Å; L260-A312 HydrophobicContact CD2-CB 3.87Å
261D98.9Very high98.8Very high87 Ų8734.8 Ų34.847%0.46518%0.176SC..Hα-helixtrans-61.6-50172.762-40.9000111.2Y259 M263 R264 E265Y259-D261 VanDerWaalsContact C-OD1 3.28Å; Y259-D261 WeakPolarHBondContact CA-OD1 3.43Å; Y259-D261 PolarHBondContact O-N 3.45Å; D261-M263 VanDerWaalsContact C-N 3.28Å; D261-M263 PolarHBondContact O-N 3.04Å; D261-R264 PolarHBondContact O-N 3.45Å; D261-E265 WeakPolarHBondContact O-CG 3.31Å; D261-E265 PolarHBondContact O-N 3.36Å
262I98.9Very high98.8Very high4 Ų439.6 Ų39.62%0.02121%0.21CC..Hα-helixtrans-61.2-40.6176.3-57.3-60.9000110.6A200 F202 R233 A236 V253 Y259 E265 V266A200-I262 HydrophobicContact CB-CG2 4.26Å; F202-I262 HydrophobicContact CE2-CG1 4.29Å; F202-I262 HydrophobicContact CE2-CG2 4.26Å; F202-I262 HydrophobicContact CZ-CD1 4.33Å; F202-I262 HydrophobicContact CZ-CG1 3.84Å; F202-I262 HydrophobicContact CZ-CG2 4.2Å; R233-I262 HydrophobicContact CB-CD1 4.03Å; R233-I262 HydrophobicContact CG-CD1 3.88Å; A236-I262 HydrophobicContact CB-CG2 4.17Å; V253-I262 HydrophobicContact CG1-CB 4.4Å; V253-I262 HydrophobicContact CG1-CG2 4.26Å; V253-I262 HydrophobicContact CG2-CG2 4.19Å; Y259-I262 HydrophobicContact CD1-CG1 4.16Å; Y259-I262 PolarHBondContact O-N 3.13Å; I262-E265 PolarHBondContact O-N 2.97Å; I262-V266 HydrophobicContact CG2-CG2 4.26Å; I262-V266 WeakPolarHBondContact O-CB 3.44Å; I262-V266 VanDerWaalsContact O-CG2 3.23Å; I262-V266 WeakPolarHBondContact O-CG2 3.49Å; I262-V266 PolarHBondContact O-N 3Å
263M98.8Very high98.8Very high0 Ų041.5 Ų41.50%022%0.219CC..Hα-helixtrans-60.7-47.5177-171.5-171.8-49.800112.3V253 Y259 L260 D261 E265 V266 K267 L275 V277 F309 A312 A314V253-M263 HydrophobicContact CG2-CB 4.28Å; Y259-M263 PolarHBondContact O-N 3.47Å; L260-M263 HydrophobicContact CD2-CE 3.89Å; L260-M263 HydrophobicContact CD2-SD 4.47Å; L260-M263 PolarHBondContact O-N 3.28Å; D261-M263 VanDerWaalsContact C-N 3.28Å; D261-M263 PolarHBondContact O-N 3.04Å; M263-E265 PolarHBondContact O-N 2.83Å; M263-V266 PolarHBondContact O-N 3.39Å; M263-K267 PolarHBondContact O-N 3.08Å; M263-L275 HydrophobicContact CG-CD2 3.54Å; M263-L275 HydrophobicContact CG-CG 4.32Å; M263-L275 VanDerWaalsContact O-CD2 3.32Å; M263-L275 WeakPolarHBondContact O-CD2 3.43Å; M263-V277 HydrophobicContact CE-CB 3.49Å; M263-V277 VanDerWaalsContact CE-CB 3.49Å; M263-V277 HydrophobicContact CE-CG1 4.14Å; M263-V277 HydrophobicContact CE-CG2 3.29Å; M263-V277 HydrophobicContact SD-CB 4.35Å; M263-F309 HydrophobicContact CE-CD1 3.9Å; M263-A312 HydrophobicContact CB-CB 4.27Å; M263-A312 HydrophobicContact CG-CB 4.14Å; M263-A312 HydrophobicContact SD-CB 3.53Å; M263-A312 VanDerWaalsContact SD-CB 3.53Å; M263-A314 HydrophobicContact SD-CB 3.56Å; M263-A314 VanDerWaalsContact SD-CB 3.56Å
264R98.9Very high98.8Very high90 Ų9043.9 Ų43.934%0.3423%0.234SC..Hα-helixtrans-59.2-48.5176.6179.761.7-96.4161.1-2.5111.5L260 D261 V266 K267 D268 A312L260-R264 PolarHBondContact O-N 3.34Å; D261-R264 PolarHBondContact O-N 3.45Å; R264-V266 VanDerWaalsContact C-N 3.35Å; R264-V266 PolarHBondContact O-N 2.85Å; R264-K267 PolarHBondContact O-N 3.15Å; R264-D268 IonicContact CZ-OD1 2.89Å; R264-D268 IonicContact CZ-OD2 2.8Å; R264-D268 VanDerWaalsContact NE-CG 3.26Å; R264-D268 IonicContact NE-OD1 3.35Å; R264-D268 PolarHBondContact NE-OD1 3.48Å; R264-D268 VanDerWaalsContact NE-OD1 3.15Å; R264-D268 IonicContact NE-OD2 2.67Å; R264-D268 PolarHBondContact NE-OD2 3.46Å; R264-D268 VanDerWaalsContact NH2-CG 3.33Å; R264-D268 IonicContact NH2-OD1 2.97Å; R264-D268 PolarHBondContact NH2-OD1 3.06Å; R264-D268 IonicContact NH2-OD2 3.86Å; R264-D268 PolarHBondContact O-N 3.41Å; R264-A312 VanDerWaalsContact CA-O 3.23Å; R264-A312 WeakPolarHBondContact CA-O 3.49Å; R264-A312 PolarHBondContact N-O 3.11Å
265E98.9Very high98.8Very high46 Ų4643.6 Ų43.622%0.21523%0.233CC..Hα-helixtrans-63.8-38.9-179.8-70.1-173.6-13700113.2R233 L237 D261 I262 M263 D268 K269R233-E265 IonicContact CZ-OE1 3.49Å; R233-E265 IonicContact CZ-OE2 3.11Å; R233-E265 IonicContact NE-OE1 2.75Å; R233-E265 PolarHBondContact NE-OE1 2.65Å; R233-E265 IonicContact NE-OE2 3.63Å; R233-E265 PolarHBondContact NE-OE2 3.1Å; R233-E265 VanDerWaalsContact NH2-CD 3.34Å; R233-E265 IonicContact NH2-OE1 3.51Å; R233-E265 IonicContact NH2-OE2 2.67Å; R233-E265 PolarHBondContact NH2-OE2 3.42Å; L237-E265 WeakPolarHBondContact CD1-OE2 3.32Å; L237-E265 HydrophobicContact CD2-CB 4.1Å; D261-E265 WeakPolarHBondContact O-CG 3.31Å; D261-E265 PolarHBondContact O-N 3.36Å; I262-E265 PolarHBondContact O-N 2.97Å; M263-E265 PolarHBondContact O-N 2.83Å; E265-D268 PolarHBondContact O-N 3.07Å; E265-K269 WeakPolarHBondContact O-CB 3.28Å; E265-K269 PolarHBondContact O-N 3.14Å
266V98.9Very high98.8Very high1 Ų143.6 Ų43.61%0.00623%0.233CC..Hα-helixtrans-62.8-45.1173.9167.40000110.4L237 V240 L251 I262 M263 R264 D268 K269 F270 L275L237-V266 HydrophobicContact CD2-CG2 4.15Å; V240-V266 HydrophobicContact CB-CG2 4.38Å; V240-V266 HydrophobicContact CG1-CG1 3.9Å; V240-V266 HydrophobicContact CG1-CG2 4.18Å; V240-V266 HydrophobicContact CG2-CG2 3.8Å; L251-V266 HydrophobicContact CD1-CG1 4.11Å; I262-V266 HydrophobicContact CG2-CG2 4.26Å; I262-V266 WeakPolarHBondContact O-CB 3.44Å; I262-V266 VanDerWaalsContact O-CG2 3.23Å; I262-V266 WeakPolarHBondContact O-CG2 3.49Å; I262-V266 PolarHBondContact O-N 3Å; M263-V266 PolarHBondContact O-N 3.39Å; R264-V266 VanDerWaalsContact C-N 3.35Å; R264-V266 PolarHBondContact O-N 2.85Å; V266-D268 PolarHBondContact O-N 3.11Å; V266-K269 PolarHBondContact O-N 3.28Å; V266-F270 HydrophobicContact CG1-CD2 4.45Å; V266-F270 PolarHBondContact O-N 3.42Å; V266-L275 HydrophobicContact CB-CD2 4.29Å; V266-L275 HydrophobicContact CG1-CD1 3.69Å; V266-L275 HydrophobicContact CG1-CD2 4.03Å; V266-L275 HydrophobicContact CG1-CG 4.5Å
267K98.8Very high98.8Very high30 Ų3043.6 Ų43.613%0.1323%0.233CC..Hα-helixtrans-66.4-36.2179.2-16864.7175-178.50112.5M263 R264 F270 P271 H273 L275 G313 D315M263-K267 PolarHBondContact O-N 3.08Å; R264-K267 PolarHBondContact O-N 3.15Å; K267-F270 CarbonylContact O-C 3.54Å; K267-P271 VanDerWaalsContact O-CA 3.25Å; K267-P271 WeakPolarHBondContact O-CA 3.37Å; K267-H273 PolarHBondContact NZ-O 3.19Å; K267-L275 HydrophobicContact CB-CD2 3.93Å; K267-L275 HydrophobicContact CD-CB 4.26Å; K267-L275 HydrophobicContact CD-CD2 4.46Å; K267-G313 WeakPolarHBondContact CD-O 3.46Å; K267-D315 IonicContact NZ-OD1 3.85Å; K267-D315 IonicContact NZ-OD2 3.8Å; K267-D315 PolarHBondContact NZ-OD2 3.32Å
268D98.9Very high98.8Very high99 Ų9941.5 Ų41.553%0.52922%0.222SC..Hα-helixtrans-63.9-42.7174-74.6-37.2000112.1R264 E265 V266R264-D268 IonicContact CZ-OD1 2.89Å; R264-D268 IonicContact CZ-OD2 2.8Å; R264-D268 VanDerWaalsContact NE-CG 3.26Å; R264-D268 IonicContact NE-OD1 3.35Å; R264-D268 PolarHBondContact NE-OD1 3.48Å; R264-D268 VanDerWaalsContact NE-OD1 3.15Å; R264-D268 IonicContact NE-OD2 2.67Å; R264-D268 PolarHBondContact NE-OD2 3.46Å; R264-D268 VanDerWaalsContact NH2-CG 3.33Å; R264-D268 IonicContact NH2-OD1 2.97Å; R264-D268 PolarHBondContact NH2-OD1 3.06Å; R264-D268 IonicContact NH2-OD2 3.86Å; R264-D268 PolarHBondContact O-N 3.41Å; E265-D268 PolarHBondContact O-N 3.07Å; V266-D268 PolarHBondContact O-N 3.11Å
269K98.8Very high98.8Very high96 Ų9639 Ų3942%0.41721%0.206SC..Hα-helixtrans-78.7-31.5-177.1-168.2172.4176-175.70113E241 E265 V266 P271E241-K269 IonicContact OE2-NZ 2.94Å; E241-K269 PolarHBondContact OE2-NZ 3Å; E265-K269 WeakPolarHBondContact O-CB 3.28Å; E265-K269 PolarHBondContact O-N 3.14Å; V266-K269 PolarHBondContact O-N 3.28Å; K269-P271 VanDerWaalsContact C-CD 3.44Å
270F98.8Very high98.8Very high24 Ų2438.2 Ų38.211%0.10520%0.203CC..  trans-128.659.8-176.6-54.9-73.7000112V240 E241 V244 L251 V266 K267 S272 H273V240-F270 HydrophobicContact CB-CE2 4.33Å; V240-F270 HydrophobicContact CG1-CD2 3.63Å; V240-F270 HydrophobicContact CG1-CE2 3.55Å; V240-F270 HydrophobicContact CG1-CZ 4.49Å; E241-F270 HydrophobicContact CB-CE2 4.48Å; E241-F270 HydrophobicContact CB-CZ 3.74Å; E241-F270 HydrophobicContact CG-CZ 4.05Å; V244-F270 HydrophobicContact CB-CD1 4.41Å; V244-F270 HydrophobicContact CB-CE1 4.26Å; V244-F270 HydrophobicContact CG1-CD1 4.18Å; V244-F270 HydrophobicContact CG1-CE1 4.19Å; V244-F270 HydrophobicContact CG2-CD1 3.84Å; V244-F270 HydrophobicContact CG2-CE1 4.02Å; V244-F270 HydrophobicContact CG2-CG 4.12Å; V244-F270 HydrophobicContact CG2-CZ 4.47Å; L251-F270 HydrophobicContact CD1-CB 3.97Å; L251-F270 HydrophobicContact CD1-CD2 4.38Å; L251-F270 HydrophobicContact CD1-CG 4.29Å; V266-F270 HydrophobicContact CG1-CD2 4.45Å; V266-F270 PolarHBondContact O-N 3.42Å; K267-F270 CarbonylContact O-C 3.54Å; F270-S272 PolarHBondContact O-N 2.94Å; F270-S272 VanDerWaalsContact O-N 3.16Å; F270-H273 PolarHBondContact O-N 3.38Å
271P98.6Very high98.8Very high88 Ų8836.2 Ų36.257%0.57119%0.193SC*.THydrogen-bonded Turntrans-66.4-22.8-171.727.8-36.3000113.4K267 K269 H273K267-P271 VanDerWaalsContact O-CA 3.25Å; K267-P271 WeakPolarHBondContact O-CA 3.37Å; K269-P271 VanDerWaalsContact C-CD 3.44Å; P271-H273 VanDerWaalsContact C-N 3.33Å
272S98.5Very high98.8Very high103 Ų10332.6 Ų32.672%0.7218%0.176SC*.THydrogen-bonded Turntrans-78.3-12179.956.60000114.5F270F270-S272 PolarHBondContact O-N 2.94Å; F270-S272 VanDerWaalsContact O-N 3.16Å
273H98.7Very high98.8Very high40 Ų4032.4 Ų32.419%0.18518%0.175CC..SBendtrans-98.8136.9179.1-65.669.1000109.7L251 K267 F270 P271 L275L251-H273 HydrophobicContact CD1-CB 3.87Å; L251-H273 HydrophobicContact CG-CB 4.15Å; K267-H273 PolarHBondContact NZ-O 3.19Å; F270-H273 PolarHBondContact O-N 3.38Å; P271-H273 VanDerWaalsContact C-N 3.33Å; H273-L275 PolarHBondContact O-N 2.98Å
274P98.8Very high98.8Very high50 Ų5032.4 Ų32.433%0.32518%0.175SC..  trans-60.1132.1165.8-19.831.6000109.9M250 L251 D315 I316M250-P274 HydrophobicContact CG-CB 3.94Å; M250-P274 HydrophobicContact CG-CG 4.02Å; L251-P274 PolarHBondContact N-O 3.47Å; L251-P274 VanDerWaalsContact N-O 3.07Å; P274-D315 WeakPolarHBondContact CA-OD2 3.45Å; P274-D315 HydrophobicContact CB-CB 4.47Å; P274-I316 HydrophobicContact CB-CD1 4.21Å
275L98.9Very high98.8Very high1 Ų128.7 Ų28.71%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-108.9118.7179.4-177.658.5000110.1L251 V253 M263 V266 K267 H273 A314 D315 I316L251-L275 HydrophobicContact CB-CD1 3.89Å; V253-L275 HydrophobicContact CG2-CD1 4.37Å; M263-L275 HydrophobicContact CG-CD2 3.54Å; M263-L275 HydrophobicContact CG-CG 4.32Å; M263-L275 VanDerWaalsContact O-CD2 3.32Å; M263-L275 WeakPolarHBondContact O-CD2 3.43Å; V266-L275 HydrophobicContact CB-CD2 4.29Å; V266-L275 HydrophobicContact CG1-CD1 3.69Å; V266-L275 HydrophobicContact CG1-CD2 4.03Å; V266-L275 HydrophobicContact CG1-CG 4.5Å; K267-L275 HydrophobicContact CB-CD2 3.93Å; K267-L275 HydrophobicContact CD-CB 4.26Å; K267-L275 HydrophobicContact CD-CD2 4.46Å; H273-L275 PolarHBondContact O-N 2.98Å; L275-A314 CarbonylContact O-C 3.41Å; L275-A314 VanDerWaalsContact O-CA 3.24Å; L275-A314 WeakPolarHBondContact O-CA 3.26Å; L275-D315 PolarHBondContact N-OD2 3.25Å; L275-D315 PolarHBondContact O-N 3.41Å; L275-I316 PolarHBondContact O-N 3.24Å
276A98.9Very high98.8Very high0 Ų030.8 Ų30.80%017%0.174CC..EExtended strand (participates in β ladder)trans-89.7152.6169.900000111.8L196 L251 M252 V253 I316L196-A276 HydrophobicContact CD1-CB 3.8Å; L196-A276 HydrophobicContact CD2-CB 4.46Å; L251-A276 WeakPolarHBondContact O-CB 3.34Å; L251-A276 PolarHBondContact O-N 3Å; M252-A276 VanDerWaalsContact CA-O 3.25Å; M252-A276 WeakPolarHBondContact CA-O 3.46Å; M252-A276 HydrophobicContact CB-CB 4.1Å; M252-A276 HydrophobicContact CE-CB 4.32Å; M252-A276 HydrophobicContact CG-CB 3.93Å; V253-A276 PolarHBondContact N-O 3.06Å; V253-A276 VanDerWaalsContact N-O 3.08Å; A276-I316 CarbonylContact C-O 3.48Å; A276-I316 VanDerWaalsContact CA-O 3.23Å; A276-I316 WeakPolarHBondContact CA-O 3.42Å; A276-I316 HydrophobicContact CB-CB 3.91Å; A276-I316 HydrophobicContact CB-CG2 4.09Å
277V98.9Very high98.8Very high0 Ų031.4 Ų31.40%018%0.178CC..EExtended strand (participates in β ladder)trans-125145.3163.8620000109.9M263 F309 A314 I316 I317 I318M263-V277 HydrophobicContact CE-CB 3.49Å; M263-V277 VanDerWaalsContact CE-CB 3.49Å; M263-V277 HydrophobicContact CE-CG1 4.14Å; M263-V277 HydrophobicContact CE-CG2 3.29Å; M263-V277 HydrophobicContact SD-CB 4.35Å; V277-F309 HydrophobicContact CG1-CB 3.83Å; V277-F309 HydrophobicContact CG1-CD1 4.02Å; V277-F309 HydrophobicContact CG1-CD2 3.99Å; V277-F309 HydrophobicContact CG1-CG 3.68Å; V277-F309 HydrophobicContact CG2-CD1 4.03Å; V277-F309 HydrophobicContact CG2-CE1 4.09Å; V277-A314 HydrophobicContact CB-CB 4.12Å; V277-A314 HydrophobicContact CG1-CB 3.74Å; V277-I316 PolarHBondContact N-O 3.16Å; V277-I317 HydrophobicContact CG1-CB 4.24Å; V277-I317 HydrophobicContact CG1-CG1 3.83Å; V277-I317 HydrophobicContact CG1-CG2 4.16Å; V277-I318 PolarHBondContact O-N 3.32Å
278Y98.9Very high98.8Very high0 Ų033.3 Ų33.30%018%0.184CC..EExtended strand (participates in β ladder)trans-103.8110.9169.5-152.3-48.7000110.3P36 L79 F81 Y198 M252 V253 K254 G256 V280 I318 Y320P36-Y278 HydrophobicContact CG-CE1 4.35Å; P36-Y278 WeakPolarHBondContact CG-OH 3.23Å; L79-Y278 HydrophobicContact CD2-CE2 3.89Å; F81-Y278 WeakPolarHBondContact CE2-OH 3.28Å; F81-Y278 HydrophobicContact CZ-CE2 4.02Å; F81-Y278 WeakPolarHBondContact CZ-OH 3.37Å; Y198-Y278 AromaticContact CE1-CD2 3.83Å; Y198-Y278 HydrophobicContact CE1-CD2 3.83Å; Y198-Y278 HydrophobicContact CE1-CE2 4.25Å; M252-Y278 HydrophobicContact SD-CD2 4.08Å; V253-Y278 PolarHBondContact O-N 3.4Å; V253-Y278 VanDerWaalsContact O-N 3.1Å; K254-Y278 HydrophobicContact CD-CD2 3.84Å; K254-Y278 HydrophobicContact CD-CG 3.91Å; K254-Y278 HydrophobicContact CG-CG 4.37Å; G256-Y278 PolarHBondContact N-O 3.37Å; Y278-V280 HydrophobicContact CD1-CB 4.32Å; Y278-V280 HydrophobicContact CD1-CG1 3.75Å; Y278-V280 HydrophobicContact CG-CG1 4.14Å; Y278-V280 VanDerWaalsContact O-CG1 3.26Å; Y278-V280 WeakPolarHBondContact O-CG1 3.23Å; Y278-V280 PolarHBondContact O-N 3.01Å; Y278-I318 HydrophobicContact CD1-CB 4.33Å; Y278-I318 HydrophobicContact CD1-CG2 4.02Å; Y278-I318 HydrophobicContact CD2-CB 4.1Å; Y278-I318 HydrophobicContact CD2-CD1 3.87Å; Y278-I318 HydrophobicContact CD2-CG2 3.8Å; Y278-I318 HydrophobicContact CE1-CG2 3.83Å; Y278-I318 HydrophobicContact CE2-CB 4.39Å; Y278-I318 HydrophobicContact CE2-CD1 4.39Å; Y278-I318 HydrophobicContact CE2-CG2 3.59Å; Y278-I318 HydrophobicContact CG-CB 4.07Å; Y278-I318 HydrophobicContact CG-CD1 4.45Å; Y278-I318 HydrophobicContact CG-CG2 4.02Å; Y278-Y320 HydrophobicContact CE1-CE2 4.05Å; Y278-Y320 PolarHBondContact OH-OH 3.02Å; Y278-Y320 VanDerWaalsContact OH-OH 3.13Å
279N98.8Very high98.7Very high0 Ų033.6 Ų33.60%018%0.182CC..EExtended strand (participates in β ladder)trans-78.196.2166.6176.4-136.6000108.9E283 F309 I318 T319N279-E283 WeakPolarHBondContact ND2-CB 3.42Å; N279-E283 PolarHBondContact ND2-OE2 3.16Å; N279-F309 HydrophobicContact CB-CE2 3.76Å; N279-F309 HydrophobicContact CB-CZ 3.98Å; N279-I318 PolarHBondContact N-O 3.46Å; N279-T319 PolarHBondContact OD1-OG1 3.26Å
280V98.8Very high98.7Very high2 Ų229.9 Ų29.91%0.01217%0.171CC..  trans-80.5170.7-161.7-49.80000112.7Y206 Y207 K254 P255 Y278 G282 E283 Y284Y206-V280 WeakPolarHBondContact O-CG2 3.46Å; Y207-V280 HydrophobicContact CD1-CB 4.29Å; Y207-V280 HydrophobicContact CD1-CG1 4.46Å; Y207-V280 HydrophobicContact CD1-CG2 4.13Å; Y207-V280 HydrophobicContact CE1-CB 4.31Å; Y207-V280 HydrophobicContact CE1-CG1 4.01Å; Y207-V280 HydrophobicContact CE1-CG2 4.22Å; K254-V280 HydrophobicContact CD-CG1 4.24Å; K254-V280 HydrophobicContact CG-CG1 3.71Å; P255-V280 HydrophobicContact CB-CG1 4.03Å; P255-V280 HydrophobicContact CB-CG2 3.96Å; P255-V280 HydrophobicContact CG-CG2 4.41Å; Y278-V280 HydrophobicContact CD1-CB 4.32Å; Y278-V280 HydrophobicContact CD1-CG1 3.75Å; Y278-V280 HydrophobicContact CG-CG1 4.14Å; Y278-V280 VanDerWaalsContact O-CG1 3.26Å; Y278-V280 WeakPolarHBondContact O-CG1 3.23Å; Y278-V280 PolarHBondContact O-N 3.01Å; V280-G282 VanDerWaalsContact C-N 3.27Å; V280-G282 PolarHBondContact O-N 2.88Å; V280-G282 VanDerWaalsContact O-N 3.16Å; V280-E283 HydrophobicContact CG2-CG 4.09Å; V280-E283 WeakPolarHBondContact CG2-OE1 3.42Å; V280-E283 PolarHBondContact N-OE1 3.2Å; V280-E283 WeakPolarHBondContact O-CB 3.18Å; V280-E283 PolarHBondContact O-N 3.31Å; V280-Y284 PolarHBondContact O-N 3.34Å
281S98.6Very high98.7Very high0 Ų029.6 Ų29.60%017%0.173CC..Hα-helixtrans-55.1-38.2-172.865.80000114.3Y206 F210 A285Y206-S281 PolarHBondContact O-OG 3.32Å; F210-S281 VanDerWaalsContact CB-OG 3.32Å; F210-S281 WeakPolarHBondContact CB-OG 3.39Å; F210-S281 PolarHBondContact N-OG 2.73Å; S281-A285 WeakPolarHBondContact O-CB 3.31Å; S281-A285 PolarHBondContact O-N 3.49Å
282G98.6Very high98.7Very high11 Ų1133.2 Ų33.211%0.11318%0.18CC..Hα-helixtrans-73.8-32.3176.700000113.3Y206 V280 M286Y206-G282 WeakPolarHBondContact O-CA 3.49Å; Y206-G282 PolarHBondContact O-N 3.04Å; V280-G282 VanDerWaalsContact C-N 3.27Å; V280-G282 PolarHBondContact O-N 2.88Å; V280-G282 VanDerWaalsContact O-N 3.16Å; G282-M286 WeakPolarHBondContact O-CB 3.46Å; G282-M286 PolarHBondContact O-N 2.95Å
283E98.8Very high98.7Very high0 Ų032.5 Ų32.50%018%0.18CC..Hα-helixtrans-69-42172.8-64.8169.5-115.700110.7P255 G256 L257 N279 V280 M286 L287P255-E283 WeakPolarHBondContact CB-OE1 3.24Å; G256-E283 PolarHBondContact N-OE1 2.93Å; L257-E283 WeakPolarHBondContact CB-OE2 3.42Å; L257-E283 WeakPolarHBondContact CG-OE2 3.28Å; L257-E283 PolarHBondContact N-OE2 3.37Å; N279-E283 WeakPolarHBondContact ND2-CB 3.42Å; N279-E283 PolarHBondContact ND2-OE2 3.16Å; V280-E283 HydrophobicContact CG2-CG 4.09Å; V280-E283 WeakPolarHBondContact CG2-OE1 3.42Å; V280-E283 PolarHBondContact N-OE1 3.2Å; V280-E283 WeakPolarHBondContact O-CB 3.18Å; V280-E283 PolarHBondContact O-N 3.31Å; E283-M286 WeakPolarHBondContact O-CB 3.31Å; E283-M286 PolarHBondContact O-N 3.28Å; E283-L287 WeakPolarHBondContact O-CG 3.42Å; E283-L287 PolarHBondContact O-N 2.83Å; E283-L287 VanDerWaalsContact O-N 3.07Å
284Y98.8Very high98.7Very high0 Ų033.7 Ų33.70%020%0.203CC..Hα-helixtrans-56.5-54171.7175.1-86.8000111.4L52 P53 V280 M286 L287 W288 Y320 Y321L52-Y284 HydrophobicContact CD1-CD1 3.49Å; L52-Y284 VanDerWaalsContact CD1-CD1 3.49Å; L52-Y284 HydrophobicContact CD1-CE1 4.06Å; L52-Y284 HydrophobicContact CD1-CG 4.13Å; L52-Y284 HydrophobicContact CG-CD1 4.26Å; L52-Y284 HydrophobicContact CG-CE1 4.36Å; P53-Y284 WeakPolarHBondContact O-CE1 3.07Å; P53-Y284 PolarHBondContact O-OH 3.13Å; V280-Y284 PolarHBondContact O-N 3.34Å; Y284-M286 VanDerWaalsContact C-N 3.27Å; Y284-M286 PolarHBondContact O-N 3.07Å; Y284-L287 PolarHBondContact O-N 2.84Å; Y284-W288 WeakPolarHBondContact O-CB 3.11Å; Y284-W288 PolarHBondContact O-N 3.38Å; Y284-Y320 HydrophobicContact CD2-CD2 4.37Å; Y284-Y320 HydrophobicContact CD2-CG 4.42Å; Y284-Y320 HydrophobicContact CG-CD2 4.25Å; Y284-Y321 AromaticContact CD2-CD1 3.95Å; Y284-Y321 HydrophobicContact CD2-CD1 3.95Å; Y284-Y321 AromaticContact CD2-CD2 3.47Å; Y284-Y321 HydrophobicContact CD2-CD2 3.47Å; Y284-Y321 VanDerWaalsContact CD2-CD2 3.47Å; Y284-Y321 AromaticContact CD2-CE1 3.72Å; Y284-Y321 HydrophobicContact CD2-CE1 3.72Å; Y284-Y321 AromaticContact CD2-CE2 3.21Å; Y284-Y321 HydrophobicContact CD2-CE2 3.21Å; Y284-Y321 AromaticContact CD2-CG 3.82Å; Y284-Y321 HydrophobicContact CD2-CG 3.82Å; Y284-Y321 AromaticContact CD2-CZ 3.33Å; Y284-Y321 AromaticContact CE2-CD1 3.47Å; Y284-Y321 HydrophobicContact CE2-CD1 3.47Å; Y284-Y321 VanDerWaalsContact CE2-CD1 3.47Å; Y284-Y321 AromaticContact CE2-CD2 3.91Å; Y284-Y321 HydrophobicContact CE2-CD2 3.91Å; Y284-Y321 AromaticContact CE2-CE1 3.28Å; Y284-Y321 HydrophobicContact CE2-CE1 3.28Å; Y284-Y321 AromaticContact CE2-CE2 3.75Å; Y284-Y321 HydrophobicContact CE2-CE2 3.75Å; Y284-Y321 AromaticContact CE2-CG 3.77Å; Y284-Y321 HydrophobicContact CE2-CG 3.77Å; Y284-Y321 AromaticContact CE2-CZ 3.42Å; Y284-Y321 VanDerWaalsContact CE2-CZ 3.42Å; Y284-Y321 AromaticContact CG-CE2 3.97Å; Y284-Y321 HydrophobicContact CG-CE2 3.97Å; Y284-Y321 AromaticContact CZ-CE1 3.99Å; Y284-Y321 PolarHBondContact O-OH 3.4Å
285A98.6Very high98.7Very high12 Ų1234.9 Ų34.910%0.09922%0.217CC..Hα-helixtrans-62.1-35.9179.800000112.1P209 S281 W288 H289P209-A285 HydrophobicContact CG-CB 4.3Å; S281-A285 WeakPolarHBondContact O-CB 3.31Å; S281-A285 PolarHBondContact O-N 3.49Å; A285-W288 PolarHBondContact O-N 2.95Å; A285-H289 WeakPolarHBondContact O-CB 3.49Å; A285-H289 PolarHBondContact O-CD2 3Å; A285-H289 PolarHBondContact O-N 3.36Å
286M98.7Very high98.7Very high89 Ų8938.9 Ų38.944%0.43824%0.235SC..Hα-helixtrans-59.9-48.1176177.7178.872.400111.7L257 G282 E283 Y284 G290L257-M286 HydrophobicContact CD1-CE 4.2Å; G282-M286 WeakPolarHBondContact O-CB 3.46Å; G282-M286 PolarHBondContact O-N 2.95Å; E283-M286 WeakPolarHBondContact O-CB 3.31Å; E283-M286 PolarHBondContact O-N 3.28Å; Y284-M286 VanDerWaalsContact C-N 3.27Å; Y284-M286 PolarHBondContact O-N 3.07Å; M286-G290 PolarHBondContact O-N 2.9Å
287L98.8Very high98.7Very high15 Ų1543.6 Ų43.68%0.07926%0.26CS..Hα-helixtrans-66.6-45177-65-178.3000111.4E283 Y284 H289 G290 A291 F296 L298 A301 V302 A305 Y321E283-L287 WeakPolarHBondContact O-CG 3.42Å; E283-L287 PolarHBondContact O-N 2.83Å; E283-L287 VanDerWaalsContact O-N 3.07Å; Y284-L287 PolarHBondContact O-N 2.84Å; L287-H289 PolarHBondContact O-N 3.37Å; L287-G290 PolarHBondContact O-N 3.22Å; L287-A291 WeakPolarHBondContact O-CB 3.19Å; L287-A291 PolarHBondContact O-N 3.5Å; L287-F296 HydrophobicContact CD2-CE2 4.36Å; L287-F296 HydrophobicContact CD2-CZ 4.22Å; L287-F296 WeakPolarHBondContact O-CE2 3.5Å; L287-L298 HydrophobicContact CB-CD1 4.34Å; L287-A301 HydrophobicContact CD2-CB 4.25Å; L287-V302 HydrophobicContact CD1-CG2 4.04Å; L287-A305 HydrophobicContact CD1-CB 4.29Å; L287-Y321 HydrophobicContact CB-CE2 4.31Å; L287-Y321 HydrophobicContact CD1-CE2 4.12Å
288W98.8Very high98.7Very high70 Ų7045.3 Ų45.327%0.26527%0.269SS..Hα-helixtrans-56.5-51.6178.5-176.4-86.9000112.4P53 Y284 A285 A291 K292 L298 Y321P53-W288 HydrophobicContact CB-CD2 4.13Å; P53-W288 HydrophobicContact CB-CG 4.43Å; P53-W288 HydrophobicContact CB-CZ2 3.99Å; P53-W288 HydrophobicContact CG-CG 4.34Å; Y284-W288 WeakPolarHBondContact O-CB 3.11Å; Y284-W288 PolarHBondContact O-N 3.38Å; A285-W288 PolarHBondContact O-N 2.95Å; W288-A291 PolarHBondContact O-N 3.03Å; W288-K292 VanDerWaalsContact O-CB 3.3Å; W288-K292 WeakPolarHBondContact O-CB 3.5Å; W288-K292 PolarHBondContact O-N 2.75Å; W288-L298 HydrophobicContact CE3-CD2 3.94Å; W288-L298 HydrophobicContact CZ3-CD2 4.11Å; W288-Y321 HydrophobicContact CE3-CE1 4.4Å; W288-Y321 PolarHBondContact N-OH 3.37Å
289H98.6Very high98.7Very high105 Ų10549.2 Ų49.249%0.48628%0.284SS..Hα-helixtrans-71.8-35.9-177.8-76.1-67.4000112.9A285 L287 K292 A293A285-H289 WeakPolarHBondContact O-CB 3.49Å; A285-H289 PolarHBondContact O-CD2 3Å; A285-H289 PolarHBondContact O-N 3.36Å; L287-H289 PolarHBondContact O-N 3.37Å; H289-K292 PolarHBondContact O-N 3.37Å; H289-A293 WeakPolarHBondContact O-CB 3.49Å; H289-A293 PolarHBondContact O-N 3.22Å
290G98.8Very high98.7Very high18 Ų1851.9 Ų51.919%0.18631%0.305CS..Hα-helixtrans-60.4-45.9173.300000111.9M286 L287 A293 G294 A295M286-G290 PolarHBondContact O-N 2.9Å; L287-G290 PolarHBondContact O-N 3.22Å; G290-A293 PolarHBondContact O-N 2.85Å; G290-G294 PolarHBondContact O-N 3.47Å; G290-A295 VanDerWaalsContact O-CB 3.31Å; G290-A295 WeakPolarHBondContact O-CB 3.48Å; G290-A295 PolarHBondContact O-N 3.08Å
291A98.7Very high98.7Very high18 Ų1852.6 Ų52.615%0.14931%0.312CS..Hα-helixtrans-67.6-42.3176.800000112.6L287 W288 A293 G294 F296 L298L287-A291 WeakPolarHBondContact O-CB 3.19Å; L287-A291 PolarHBondContact O-N 3.5Å; W288-A291 PolarHBondContact O-N 3.03Å; A291-A293 PolarHBondContact O-N 3.45Å; A291-G294 WeakPolarHBondContact O-CA 3.27Å; A291-G294 PolarHBondContact O-N 3.41Å; A291-F296 VanDerWaalsContact CA-O 3.28Å; A291-F296 WeakPolarHBondContact CA-O 3.42Å; A291-F296 HydrophobicContact CB-CD2 3.94Å; A291-F296 HydrophobicContact CB-CE2 3.87Å; A291-F296 WeakPolarHBondContact CB-O 3.24Å; A291-L298 HydrophobicContact CB-CB 3.61Å; A291-L298 HydrophobicContact CB-CD1 3.87Å; A291-L298 HydrophobicContact CB-CG 4.28Å
292K98.3Very high98.7Very high164 Ų16452.6 Ų52.671%0.71331%0.312SS*.Hα-helixtrans-60.2-32.3176.1-175.2174.4-179.5178.50112.7W288 H289 G294W288-K292 VanDerWaalsContact O-CB 3.3Å; W288-K292 WeakPolarHBondContact O-CB 3.5Å; W288-K292 PolarHBondContact O-N 2.75Å; H289-K292 PolarHBondContact O-N 3.37Å; K292-G294 PolarHBondContact O-N 3.22Å
293A98.7Very high98.7Very high87 Ų8754.7 Ų54.772%0.71932%0.319SS*.THydrogen-bonded Turntrans-78.7-2.1174.900000113.6H289 G290 A291H289-A293 WeakPolarHBondContact O-CB 3.49Å; H289-A293 PolarHBondContact O-N 3.22Å; G290-A293 PolarHBondContact O-N 2.85Å; A291-A293 PolarHBondContact O-N 3.45Å
294G98.6Very high98.7Very high65 Ų6561.4 Ų61.467%0.6735%0.35SS*.THydrogen-bonded Turntrans79.115.7-179.400000114.5G290 A291 K292 F296G290-G294 PolarHBondContact O-N 3.47Å; A291-G294 WeakPolarHBondContact O-CA 3.27Å; A291-G294 PolarHBondContact O-N 3.41Å; K292-G294 PolarHBondContact O-N 3.22Å; G294-F296 VanDerWaalsContact C-N 3.33Å
295A98.8Very high98.7Very high75 Ų7561.7 Ų61.762%0.6235%0.353SS*.SBendtrans-71.3-30178.900000112.6G290G290-A295 VanDerWaalsContact O-CB 3.31Å; G290-A295 WeakPolarHBondContact O-CB 3.48Å; G290-A295 PolarHBondContact O-N 3.08Å
296F98.8Very high98.7Very high86 Ų8661.1 Ų61.138%0.37735%0.348SS..SBendtrans-161.6164.6178.344.3-102.5000111L287 A291 G294 A301L287-F296 HydrophobicContact CD2-CE2 4.36Å; L287-F296 HydrophobicContact CD2-CZ 4.22Å; L287-F296 WeakPolarHBondContact O-CE2 3.5Å; A291-F296 VanDerWaalsContact CA-O 3.28Å; A291-F296 WeakPolarHBondContact CA-O 3.42Å; A291-F296 HydrophobicContact CB-CD2 3.94Å; A291-F296 HydrophobicContact CB-CE2 3.87Å; A291-F296 WeakPolarHBondContact CB-O 3.24Å; G294-F296 VanDerWaalsContact C-N 3.33Å; F296-A301 HydrophobicContact CD2-CB 3.44Å; F296-A301 VanDerWaalsContact CD2-CB 3.44Å; F296-A301 HydrophobicContact CE2-CB 3.62Å; F296-A301 HydrophobicContact CG-CB 4.21Å
297D98.7Very high98.7Very high99 Ų9959.6 Ų59.653%0.52934%0.344SS..  trans-71.4134.4168.3171.8-110.2000110.8R299 A300 A301D297-R299 WeakPolarHBondContact OD1-CB 3.46Å; D297-R299 PolarHBondContact OD1-N 3.43Å; D297-A300 HydrophobicContact CB-CB 4.07Å; D297-A300 WeakPolarHBondContact OD1-CB 3.42Å; D297-A300 PolarHBondContact OD1-N 2.9Å; D297-A301 WeakPolarHBondContact O-CB 3.41Å; D297-A301 PolarHBondContact O-N 2.84Å; D297-A301 VanDerWaalsContact O-N 3.09Å
298L98.8Very high98.7Very high36 Ų3659.3 Ų59.319%0.18834%0.344CS..Hα-helixtrans-65.9-45-175.6-17759.8000111.6L287 W288 A291 A301 V302 Y321L287-L298 HydrophobicContact CB-CD1 4.34Å; W288-L298 HydrophobicContact CE3-CD2 3.94Å; W288-L298 HydrophobicContact CZ3-CD2 4.11Å; A291-L298 HydrophobicContact CB-CB 3.61Å; A291-L298 HydrophobicContact CB-CD1 3.87Å; A291-L298 HydrophobicContact CB-CG 4.28Å; L298-A301 PolarHBondContact O-N 2.82Å; L298-V302 HydrophobicContact CD1-CG2 3.93Å; L298-V302 HydrophobicContact CG-CG2 4.3Å; L298-V302 WeakPolarHBondContact O-CB 3.32Å; L298-V302 VanDerWaalsContact O-CG2 3.27Å; L298-V302 WeakPolarHBondContact O-CG2 3.4Å; L298-V302 PolarHBondContact O-N 2.97Å; L298-Y321 HydrophobicContact CD1-CE1 4.19Å; L298-Y321 HydrophobicContact CD2-CE1 4.31Å; L298-Y321 HydrophobicContact CG-CE1 4.5Å
299R98.6Very high98.7Very high82 Ų8256 Ų5631%0.30933%0.331SS..Hα-helixtrans-62.5-47.5-178.1175.3176.9-178.8-179.97.3110.5D297 A301 V302 M303 W328 E331D297-R299 WeakPolarHBondContact OD1-CB 3.46Å; D297-R299 PolarHBondContact OD1-N 3.43Å; R299-A301 PolarHBondContact O-N 3.35Å; R299-V302 PolarHBondContact O-N 3.18Å; R299-M303 HydrophobicContact CG-CG 4.29Å; R299-M303 WeakPolarHBondContact O-CB 3.45Å; R299-M303 VanDerWaalsContact O-CG 3.23Å; R299-M303 WeakPolarHBondContact O-CG 3.46Å; R299-M303 PolarHBondContact O-N 3.19Å; R299-W328 HydrophobicContact CB-CD2 4.24Å; R299-W328 HydrophobicContact CB-CE3 4.35Å; R299-W328 HydrophobicContact CB-CH2 3.99Å; R299-W328 HydrophobicContact CB-CZ2 3.83Å; R299-W328 HydrophobicContact CB-CZ3 4.24Å; R299-W328 HydrophobicContact CG-CD2 3.65Å; R299-W328 HydrophobicContact CG-CE3 3.83Å; R299-W328 HydrophobicContact CG-CG 4.06Å; R299-W328 HydrophobicContact CG-CH2 4.38Å; R299-W328 HydrophobicContact CG-CZ2 4.2Å; R299-W328 HydrophobicContact CG-CZ3 4.2Å; R299-W328 PolarHBondContact NH2-O 3.36Å; R299-E331 IonicContact CZ-OE2 3.21Å; R299-E331 IonicContact NH1-OE2 3.18Å; R299-E331 PolarHBondContact NH1-OE2 2.82Å; R299-E331 IonicContact NH2-OE2 3.15Å; R299-E331 PolarHBondContact NH2-OE2 3.38Å
300A98.6Very high98.7Very high55 Ų5553.1 Ų53.146%0.45532%0.316SS..Hα-helixtrans-57.1-49.317700000111.6D297 V302 M303 E304D297-A300 HydrophobicContact CB-CB 4.07Å; D297-A300 WeakPolarHBondContact OD1-CB 3.42Å; D297-A300 PolarHBondContact OD1-N 2.9Å; A300-V302 PolarHBondContact O-N 2.85Å; A300-M303 PolarHBondContact O-N 2.95Å; A300-E304 WeakPolarHBondContact O-CB 3.35Å; A300-E304 PolarHBondContact O-N 2.96Å
301A98.9Very high98.7Very high18 Ų1859.8 Ų59.815%0.14934%0.335CS..Hα-helixtrans-64.8-40.2-178.400000112.9L287 F296 D297 L298 R299 A305L287-A301 HydrophobicContact CD2-CB 4.25Å; F296-A301 HydrophobicContact CD2-CB 3.44Å; F296-A301 VanDerWaalsContact CD2-CB 3.44Å; F296-A301 HydrophobicContact CE2-CB 3.62Å; F296-A301 HydrophobicContact CG-CB 4.21Å; D297-A301 WeakPolarHBondContact O-CB 3.41Å; D297-A301 PolarHBondContact O-N 2.84Å; D297-A301 VanDerWaalsContact O-N 3.09Å; L298-A301 PolarHBondContact O-N 2.82Å; R299-A301 PolarHBondContact O-N 3.35Å; A301-A305 WeakPolarHBondContact O-CB 3.45Å; A301-A305 PolarHBondContact O-N 3.05Å
302V98.9Very high98.7Very high0 Ų059.3 Ų59.30%033%0.332CS..Hα-helixtrans-67.8-45.3176.7174.10000110.9L287 L298 R299 A300 E304 A305 M306 Y321 L325 W328L287-V302 HydrophobicContact CD1-CG2 4.04Å; L298-V302 HydrophobicContact CD1-CG2 3.93Å; L298-V302 HydrophobicContact CG-CG2 4.3Å; L298-V302 WeakPolarHBondContact O-CB 3.32Å; L298-V302 VanDerWaalsContact O-CG2 3.27Å; L298-V302 WeakPolarHBondContact O-CG2 3.4Å; L298-V302 PolarHBondContact O-N 2.97Å; R299-V302 PolarHBondContact O-N 3.18Å; A300-V302 PolarHBondContact O-N 2.85Å; V302-E304 VanDerWaalsContact C-N 3.3Å; V302-E304 PolarHBondContact O-N 3.49Å; V302-A305 WeakPolarHBondContact O-CB 3.21Å; V302-A305 PolarHBondContact O-N 3.27Å; V302-A305 VanDerWaalsContact O-N 3.17Å; V302-M306 HydrophobicContact CG1-CE 4.21Å; V302-M306 HydrophobicContact CG1-CG 4.48Å; V302-M306 WeakPolarHBondContact O-CG 3.35Å; V302-M306 PolarHBondContact O-N 2.84Å; V302-Y321 HydrophobicContact CB-CD2 4.46Å; V302-Y321 HydrophobicContact CG1-CD1 4.46Å; V302-Y321 HydrophobicContact CG1-CD2 3.85Å; V302-Y321 HydrophobicContact CG1-CG 3.82Å; V302-Y321 HydrophobicContact CG2-CD1 3.99Å; V302-Y321 HydrophobicContact CG2-CD2 3.68Å; V302-Y321 HydrophobicContact CG2-CE1 3.88Å; V302-Y321 HydrophobicContact CG2-CE2 3.54Å; V302-Y321 HydrophobicContact CG2-CG 3.91Å; V302-L325 HydrophobicContact CG1-CD1 4.48Å; V302-L325 HydrophobicContact CG1-CD2 4.11Å; V302-L325 HydrophobicContact CG1-CG 4.33Å; V302-W328 HydrophobicContact CB-CH2 4.47Å; V302-W328 HydrophobicContact CB-CZ3 3.87Å; V302-W328 HydrophobicContact CG1-CZ3 3.85Å; V302-W328 HydrophobicContact CG2-CZ3 4.42Å
303M98.6Very high98.7Very high54 Ų5452 Ų5227%0.26630%0.302SS..Hα-helixtrans-62.8-37.4177.5-70.5-61.1-70.200112R299 A300 M306 T307 L325 W328 L329R299-M303 HydrophobicContact CG-CG 4.29Å; R299-M303 WeakPolarHBondContact O-CB 3.45Å; R299-M303 VanDerWaalsContact O-CG 3.23Å; R299-M303 WeakPolarHBondContact O-CG 3.46Å; R299-M303 PolarHBondContact O-N 3.19Å; A300-M303 PolarHBondContact O-N 2.95Å; M303-M306 PolarHBondContact O-N 3.41Å; M303-T307 WeakPolarHBondContact O-CB 3.36Å; M303-T307 PolarHBondContact O-N 2.92Å; M303-T307 PolarHBondContact O-OG1 3.01Å; M303-L325 HydrophobicContact SD-CD2 3.55Å; M303-L325 VanDerWaalsContact SD-CD2 3.55Å; M303-W328 HydrophobicContact SD-CE3 4.46Å; M303-L329 HydrophobicContact CE-CD2 4.28Å
304E98.8Very high98.7Very high141 Ų14147.8 Ų47.866%0.65927%0.268SS*.Hα-helixtrans-65.7-40.8173.9-170.5173147.400111.7A300 V302 T307 A308A300-E304 WeakPolarHBondContact O-CB 3.35Å; A300-E304 PolarHBondContact O-N 2.96Å; V302-E304 VanDerWaalsContact C-N 3.3Å; V302-E304 PolarHBondContact O-N 3.49Å; E304-T307 WeakPolarHBondContact O-CB 3.35Å; E304-T307 PolarHBondContact O-N 3.3Å; E304-A308 WeakPolarHBondContact O-CB 3.44Å; E304-A308 PolarHBondContact O-N 3.07Å
305A98.8Very high98.7Very high7 Ų747.2 Ų47.26%0.05825%0.25CC..Hα-helixtrans-62.2-44.6173.900000112.1L257 L287 A301 V302 T307 A308 F309L257-A305 HydrophobicContact CD1-CB 4.25Å; L257-A305 HydrophobicContact CD2-CB 4.02Å; L287-A305 HydrophobicContact CD1-CB 4.29Å; A301-A305 WeakPolarHBondContact O-CB 3.45Å; A301-A305 PolarHBondContact O-N 3.05Å; V302-A305 WeakPolarHBondContact O-CB 3.21Å; V302-A305 PolarHBondContact O-N 3.27Å; V302-A305 VanDerWaalsContact O-N 3.17Å; A305-T307 VanDerWaalsContact C-N 3.32Å; A305-T307 PolarHBondContact O-N 3.24Å; A305-A308 WeakPolarHBondContact O-CB 3.17Å; A305-A308 PolarHBondContact O-N 3.47Å; A305-F309 HydrophobicContact CB-CE2 4.5Å; A305-F309 VanDerWaalsContact O-CD2 3.25Å; A305-F309 WeakPolarHBondContact O-CD2 3.15Å; A305-F309 WeakPolarHBondContact O-CG 3.26Å; A305-F309 PolarHBondContact O-N 2.79Å
306M98.8Very high98.7Very high0 Ų045 Ų450%023%0.227CC..Hα-helixtrans-62.1-42.2175.7-60.2-49.5104.400111.3L28 V302 M303 A308 F309 R310 I317 T319 L325L28-M306 HydrophobicContact CD1-CB 4.48Å; L28-M306 HydrophobicContact CD2-CB 3.74Å; L28-M306 HydrophobicContact CD2-CG 3.86Å; V302-M306 HydrophobicContact CG1-CE 4.21Å; V302-M306 HydrophobicContact CG1-CG 4.48Å; V302-M306 WeakPolarHBondContact O-CG 3.35Å; V302-M306 PolarHBondContact O-N 2.84Å; M303-M306 PolarHBondContact O-N 3.41Å; M306-A308 VanDerWaalsContact C-N 3.3Å; M306-A308 PolarHBondContact O-N 2.73Å; M306-F309 HydrophobicContact CE-CD2 3.97Å; M306-F309 HydrophobicContact CE-CE2 3.62Å; M306-F309 WeakPolarHBondContact O-CB 3.14Å; M306-F309 PolarHBondContact O-N 2.72Å; M306-F309 HydrophobicContact SD-CD2 4.14Å; M306-F309 HydrophobicContact SD-CE2 4.35Å; M306-R310 WeakPolarHBondContact O-CG 2.92Å; M306-R310 PolarHBondContact O-N 2.91Å; M306-I317 HydrophobicContact CB-CD1 4.32Å; M306-I317 HydrophobicContact SD-CD1 4.08Å; M306-I317 HydrophobicContact SD-CG2 3.71Å; M306-T319 HydrophobicContact SD-CG2 4.21Å; M306-L325 HydrophobicContact CG-CD1 3.9Å; M306-L325 HydrophobicContact CG-CD2 3.88Å; M306-L325 HydrophobicContact SD-CD1 3.81Å
307T98.6Very high98.8Very high57 Ų5741 Ų4135%0.3521%0.209SC..Hα-helixtrans-60.5-40.7174.8-58.20000111.2A26 M303 E304 A305 R310 R311A26-T307 HydrophobicContact CB-CG2 4.13Å; M303-T307 WeakPolarHBondContact O-CB 3.36Å; M303-T307 PolarHBondContact O-N 2.92Å; M303-T307 PolarHBondContact O-OG1 3.01Å; E304-T307 WeakPolarHBondContact O-CB 3.35Å; E304-T307 PolarHBondContact O-N 3.3Å; A305-T307 VanDerWaalsContact C-N 3.32Å; A305-T307 PolarHBondContact O-N 3.24Å; T307-R310 PolarHBondContact O-N 3.03Å; T307-R311 WeakPolarHBondContact O-CB 3.2Å; T307-R311 PolarHBondContact O-N 3.38Å
308A98.9Very high98.8Very high8 Ų836.2 Ų36.27%0.06618%0.184CC..Hα-helixtrans-62.7-41.8176.800000112.1L260 E304 A305 M306 A312L260-A308 HydrophobicContact CD1-CB 4.04Å; E304-A308 WeakPolarHBondContact O-CB 3.44Å; E304-A308 PolarHBondContact O-N 3.07Å; A305-A308 WeakPolarHBondContact O-CB 3.17Å; A305-A308 PolarHBondContact O-N 3.47Å; M306-A308 VanDerWaalsContact C-N 3.3Å; M306-A308 PolarHBondContact O-N 2.73Å; A308-A312 VanDerWaalsContact O-CB 3.29Å; A308-A312 WeakPolarHBondContact O-CB 3.47Å; A308-A312 PolarHBondContact O-N 3.14Å
309F98.9Very high98.8Very high0 Ų034.5 Ų34.50%018%0.175CC..Hα-helixtrans-62.4-48.8174.8-62.1-35.1000112.4L257 L260 M263 V277 N279 A305 M306 R311 A312 G313 A314 I317L257-F309 HydrophobicContact CD2-CE1 3.78Å; L257-F309 HydrophobicContact CD2-CZ 3.91Å; L257-F309 HydrophobicContact CG-CE1 3.9Å; L257-F309 HydrophobicContact CG-CZ 3.77Å; L260-F309 HydrophobicContact CD2-CD1 3.6Å; L260-F309 HydrophobicContact CD2-CE1 4.01Å; M263-F309 HydrophobicContact CE-CD1 3.9Å; V277-F309 HydrophobicContact CG1-CB 3.83Å; V277-F309 HydrophobicContact CG1-CD1 4.02Å; V277-F309 HydrophobicContact CG1-CD2 3.99Å; V277-F309 HydrophobicContact CG1-CG 3.68Å; V277-F309 HydrophobicContact CG2-CD1 4.03Å; V277-F309 HydrophobicContact CG2-CE1 4.09Å; N279-F309 HydrophobicContact CB-CE2 3.76Å; N279-F309 HydrophobicContact CB-CZ 3.98Å; A305-F309 HydrophobicContact CB-CE2 4.5Å; A305-F309 VanDerWaalsContact O-CD2 3.25Å; A305-F309 WeakPolarHBondContact O-CD2 3.15Å; A305-F309 WeakPolarHBondContact O-CG 3.26Å; A305-F309 PolarHBondContact O-N 2.79Å; M306-F309 HydrophobicContact CE-CD2 3.97Å; M306-F309 HydrophobicContact CE-CE2 3.62Å; M306-F309 WeakPolarHBondContact O-CB 3.14Å; M306-F309 PolarHBondContact O-N 2.72Å; M306-F309 HydrophobicContact SD-CD2 4.14Å; M306-F309 HydrophobicContact SD-CE2 4.35Å; F309-R311 PolarHBondContact O-N 3.49Å; F309-A312 PolarHBondContact O-N 3.26Å; F309-G313 PolarHBondContact O-N 3.45Å; F309-G313 VanDerWaalsContact O-N 3.12Å; F309-A314 HydrophobicContact CB-CB 4.37Å; F309-A314 PolarHBondContact O-N 3.47Å; F309-I317 HydrophobicContact CB-CD1 3.92Å; F309-I317 HydrophobicContact CB-CG1 4.12Å; F309-I317 HydrophobicContact CD2-CD1 4.16Å; F309-I317 HydrophobicContact CD2-CG1 4.32Å; F309-I317 HydrophobicContact CD2-CG2 3.96Å; F309-I317 HydrophobicContact CE2-CG2 4.39Å
310R98.8Very high98.8Very high46 Ų4630.7 Ų30.717%0.17416%0.161CC..Hα-helixtrans-62-44.6178.6-62.5-69.8-67.2136.6-0.8111.2A26 D27 L28 M306 T307 A312 G313 A314 D315 I317A26-R310 HydrophobicContact CB-CB 3.96Å; A26-R310 WeakPolarHBondContact O-CB 3.2Å; D27-R310 PolarHBondContact O-NE 3.49Å; D27-R310 PolarHBondContact O-NH2 3.35Å; D27-R310 VanDerWaalsContact O-NH2 3.17Å; L28-R310 HydrophobicContact CD1-CG 4.26Å; M306-R310 WeakPolarHBondContact O-CG 2.92Å; M306-R310 PolarHBondContact O-N 2.91Å; T307-R310 PolarHBondContact O-N 3.03Å; R310-A312 VanDerWaalsContact C-N 3.33Å; R310-A312 PolarHBondContact O-N 3.01Å; R310-G313 WeakPolarHBondContact O-CA 3.35Å; R310-G313 PolarHBondContact O-N 3.25Å; R310-A314 WeakPolarHBondContact CD-O 3.43Å; R310-A314 PolarHBondContact NH1-O 2.69Å; R310-D315 VanDerWaalsContact NH1-CA 3.32Å; R310-I317 HydrophobicContact CG-CD1 4.08Å
311R98.7Very high98.8Very high157 Ų15728 Ų2859%0.59214%0.139SC*.Hα-helixtrans-60.4-39.9175.3-176.9-176.266.7-120.40.2112.6A26 T307 F309 G313A26-R311 HydrophobicContact CB-CB 4.43Å; T307-R311 WeakPolarHBondContact O-CB 3.2Å; T307-R311 PolarHBondContact O-N 3.38Å; F309-R311 PolarHBondContact O-N 3.49Å; R311-G313 PolarHBondContact O-N 3.32Å
312A98.8Very high98.8Very high9 Ų927.2 Ų27.27%0.07413%0.132CC..Hα-helixtrans-70-17.6176.800000112.5L260 M263 R264 A308 F309 R310L260-A312 HydrophobicContact CB-CB 4.33Å; L260-A312 HydrophobicContact CD2-CB 3.87Å; M263-A312 HydrophobicContact CB-CB 4.27Å; M263-A312 HydrophobicContact CG-CB 4.14Å; M263-A312 HydrophobicContact SD-CB 3.53Å; M263-A312 VanDerWaalsContact SD-CB 3.53Å; R264-A312 VanDerWaalsContact CA-O 3.23Å; R264-A312 WeakPolarHBondContact CA-O 3.49Å; R264-A312 PolarHBondContact N-O 3.11Å; A308-A312 VanDerWaalsContact O-CB 3.29Å; A308-A312 WeakPolarHBondContact O-CB 3.47Å; A308-A312 PolarHBondContact O-N 3.14Å; F309-A312 PolarHBondContact O-N 3.26Å; R310-A312 VanDerWaalsContact C-N 3.33Å; R310-A312 PolarHBondContact O-N 3.01Å
313G98.5Very high98.8Very high9 Ų928.6 Ų28.69%0.09314%0.141CC..THydrogen-bonded Turntrans116.38.2170.700000114.9K267 F309 R310 R311 D315K267-G313 WeakPolarHBondContact CD-O 3.46Å; F309-G313 PolarHBondContact O-N 3.45Å; F309-G313 VanDerWaalsContact O-N 3.12Å; R310-G313 WeakPolarHBondContact O-CA 3.35Å; R310-G313 PolarHBondContact O-N 3.25Å; R311-G313 PolarHBondContact O-N 3.32Å; G313-D315 PolarHBondContact O-N 2.86Å
314A98.8Very high98.8Very high0 Ų028.4 Ų28.40%014%0.139CC..  trans-69.5128.9172.600000110.9M263 L275 V277 F309 R310M263-A314 HydrophobicContact SD-CB 3.56Å; M263-A314 VanDerWaalsContact SD-CB 3.56Å; L275-A314 CarbonylContact O-C 3.41Å; L275-A314 VanDerWaalsContact O-CA 3.24Å; L275-A314 WeakPolarHBondContact O-CA 3.26Å; V277-A314 HydrophobicContact CB-CB 4.12Å; V277-A314 HydrophobicContact CG1-CB 3.74Å; F309-A314 HydrophobicContact CB-CB 4.37Å; F309-A314 PolarHBondContact O-N 3.47Å; R310-A314 WeakPolarHBondContact CD-O 3.43Å; R310-A314 PolarHBondContact NH1-O 2.69Å
315D98.8Very high98.8Very high53 Ų5321.7 Ų21.728%0.28311%0.108SC..SBendtrans-84.4-30.1172-55.7-65.7000112S32 K267 P274 L275 R310 G313S32-D315 PolarHBondContact OG-O 3.04Å; K267-D315 IonicContact NZ-OD1 3.85Å; K267-D315 IonicContact NZ-OD2 3.8Å; K267-D315 PolarHBondContact NZ-OD2 3.32Å; P274-D315 WeakPolarHBondContact CA-OD2 3.45Å; P274-D315 HydrophobicContact CB-CB 4.47Å; L275-D315 PolarHBondContact N-OD2 3.25Å; L275-D315 PolarHBondContact O-N 3.41Å; R310-D315 VanDerWaalsContact NH1-CA 3.32Å; G313-D315 PolarHBondContact O-N 2.86Å
316I98.9Very high98.8Very high29 Ų2921.5 Ų21.515%0.14911%0.106CC..EExtended strand (participates in β ladder)trans-128.4136-172.2-58.1166000108.6S32 I34 M250 P274 L275 A276 V277S32-I316 CarbonylContact O-C 3.59Å; S32-I316 WeakPolarHBondContact O-CA 3.27Å; I34-I316 HydrophobicContact CD1-CG2 3.4Å; I34-I316 VanDerWaalsContact CD1-CG2 3.4Å; I34-I316 HydrophobicContact CG1-CG2 3.67Å; M250-I316 HydrophobicContact SD-CD1 3.68Å; P274-I316 HydrophobicContact CB-CD1 4.21Å; L275-I316 PolarHBondContact O-N 3.24Å; A276-I316 CarbonylContact C-O 3.48Å; A276-I316 VanDerWaalsContact CA-O 3.23Å; A276-I316 WeakPolarHBondContact CA-O 3.42Å; A276-I316 HydrophobicContact CB-CB 3.91Å; A276-I316 HydrophobicContact CB-CG2 4.09Å; V277-I316 PolarHBondContact N-O 3.16Å
317I98.9Very high98.8Very high0 Ų024.5 Ų24.50%013%0.125CC..EExtended strand (participates in β ladder)trans-126.1116.2179.6-58.7167.2000108.7L28 S32 L33 I34 V277 M306 F309 R310 T319L28-I317 HydrophobicContact CD1-CD1 3.73Å; S32-I317 PolarHBondContact O-N 3.02Å; L33-I317 WeakPolarHBondContact CA-O 3.47Å; L33-I317 HydrophobicContact CD2-CB 4.39Å; I34-I317 PolarHBondContact N-O 3.31Å; V277-I317 HydrophobicContact CG1-CB 4.24Å; V277-I317 HydrophobicContact CG1-CG1 3.83Å; V277-I317 HydrophobicContact CG1-CG2 4.16Å; M306-I317 HydrophobicContact CB-CD1 4.32Å; M306-I317 HydrophobicContact SD-CD1 4.08Å; M306-I317 HydrophobicContact SD-CG2 3.71Å; F309-I317 HydrophobicContact CB-CD1 3.92Å; F309-I317 HydrophobicContact CB-CG1 4.12Å; F309-I317 HydrophobicContact CD2-CD1 4.16Å; F309-I317 HydrophobicContact CD2-CG1 4.32Å; F309-I317 HydrophobicContact CD2-CG2 3.96Å; F309-I317 HydrophobicContact CE2-CG2 4.39Å; R310-I317 HydrophobicContact CG-CD1 4.08Å; I317-T319 HydrophobicContact CG2-CG2 4.08Å
318I98.9Very high98.7Very high0 Ų023.7 Ų23.70%012%0.115CC..EExtended strand (participates in β ladder)trans-89.5113.6170.1-58.2159.4000107.4I34 P36 L79 L196 M252 V277 Y278 N279I34-I318 HydrophobicContact CB-CB 4.44Å; I34-I318 HydrophobicContact CB-CG1 3.82Å; I34-I318 HydrophobicContact CD1-CG1 4.12Å; I34-I318 HydrophobicContact CG1-CG1 4.35Å; I34-I318 HydrophobicContact CG2-CG1 4.14Å; I34-I318 WeakPolarHBondContact O-CA 3.47Å; P36-I318 HydrophobicContact CG-CG2 3.56Å; L79-I318 HydrophobicContact CD2-CD1 4.2Å; L79-I318 HydrophobicContact CD2-CG2 4.11Å; L196-I318 HydrophobicContact CD2-CD1 4.5Å; M252-I318 HydrophobicContact CE-CD1 3.28Å; M252-I318 HydrophobicContact SD-CD1 3.74Å; V277-I318 PolarHBondContact O-N 3.32Å; Y278-I318 HydrophobicContact CD1-CB 4.33Å; Y278-I318 HydrophobicContact CD1-CG2 4.02Å; Y278-I318 HydrophobicContact CD2-CB 4.1Å; Y278-I318 HydrophobicContact CD2-CD1 3.87Å; Y278-I318 HydrophobicContact CD2-CG2 3.8Å; Y278-I318 HydrophobicContact CE1-CG2 3.83Å; Y278-I318 HydrophobicContact CE2-CB 4.39Å; Y278-I318 HydrophobicContact CE2-CD1 4.39Å; Y278-I318 HydrophobicContact CE2-CG2 3.59Å; Y278-I318 HydrophobicContact CG-CB 4.07Å; Y278-I318 HydrophobicContact CG-CD1 4.45Å; Y278-I318 HydrophobicContact CG-CG2 4.02Å; N279-I318 PolarHBondContact N-O 3.46Å
319T98.9Very high98.7Very high0 Ų025.6 Ų25.60%012%0.124CC..EExtended strand (participates in β ladder)trans-148.4144.8-177.8-176.40000112.9L33 I34 P36 N279 M306 I317 Y321 T322 L325L33-T319 HydrophobicContact CD2-CG2 4.31Å; I34-T319 PolarHBondContact O-N 2.95Å; P36-T319 VanDerWaalsContact CD-O 3.31Å; P36-T319 WeakPolarHBondContact CD-O 3.46Å; N279-T319 PolarHBondContact OD1-OG1 3.26Å; M306-T319 HydrophobicContact SD-CG2 4.21Å; I317-T319 HydrophobicContact CG2-CG2 4.08Å; T319-Y321 PolarHBondContact O-N 2.96Å; T319-Y321 PolarHBondContact OG1-N 3.28Å; T319-T322 PolarHBondContact O-N 3.18Å; T319-T322 PolarHBondContact O-OG1 3.18Å; T319-L325 HydrophobicContact CG2-CD1 3.72Å
320Y98.9Very high98.4Very high1 Ų132.1 Ų32.10%0.00415%0.152CC..THydrogen-bonded Turntrans-73.2-16.7173.5-52.4-78.4000112.8P36 F38 L52 Q55 Y278 Y284 T322 P323P36-Y320 HydrophobicContact CB-CD1 3.94Å; P36-Y320 HydrophobicContact CB-CE1 3.54Å; P36-Y320 HydrophobicContact CG-CD1 3.91Å; P36-Y320 HydrophobicContact CG-CE1 3.72Å; F38-Y320 HydrophobicContact CE2-CD1 4.49Å; F38-Y320 AromaticContact CE2-CE1 3.81Å; F38-Y320 HydrophobicContact CE2-CE1 3.81Å; F38-Y320 AromaticContact CZ-CE1 3.83Å; F38-Y320 HydrophobicContact CZ-CE1 3.83Å; L52-Y320 HydrophobicContact CD1-CD2 4.41Å; L52-Y320 HydrophobicContact CD2-CD1 3.86Å; L52-Y320 HydrophobicContact CD2-CE1 3.79Å; L52-Y320 HydrophobicContact CD2-CE2 4.48Å; L52-Y320 HydrophobicContact CD2-CG 4.22Å; Q55-Y320 HydrophobicContact CG-CD1 4.26Å; Q55-Y320 PolarHBondContact NE2-O 3.13Å; Y278-Y320 HydrophobicContact CE1-CE2 4.05Å; Y278-Y320 PolarHBondContact OH-OH 3.02Å; Y278-Y320 VanDerWaalsContact OH-OH 3.13Å; Y284-Y320 HydrophobicContact CD2-CD2 4.37Å; Y284-Y320 HydrophobicContact CD2-CG 4.42Å; Y284-Y320 HydrophobicContact CG-CD2 4.25Å; Y320-T322 PolarHBondContact O-N 3.45Å; Y320-P323 WeakPolarHBondContact O-CD 3.03Å
321Y98.9Very high97.9Very high0 Ų037.9 Ų37.90%018%0.181CC..THydrogen-bonded Turntrans-77.87.4173.6-72.6-64000113.7Y284 L287 W288 L298 V302 T319 E324 L325Y284-Y321 AromaticContact CD2-CD1 3.95Å; Y284-Y321 HydrophobicContact CD2-CD1 3.95Å; Y284-Y321 AromaticContact CD2-CD2 3.47Å; Y284-Y321 HydrophobicContact CD2-CD2 3.47Å; Y284-Y321 VanDerWaalsContact CD2-CD2 3.47Å; Y284-Y321 AromaticContact CD2-CE1 3.72Å; Y284-Y321 HydrophobicContact CD2-CE1 3.72Å; Y284-Y321 AromaticContact CD2-CE2 3.21Å; Y284-Y321 HydrophobicContact CD2-CE2 3.21Å; Y284-Y321 AromaticContact CD2-CG 3.82Å; Y284-Y321 HydrophobicContact CD2-CG 3.82Å; Y284-Y321 AromaticContact CD2-CZ 3.33Å; Y284-Y321 AromaticContact CE2-CD1 3.47Å; Y284-Y321 HydrophobicContact CE2-CD1 3.47Å; Y284-Y321 VanDerWaalsContact CE2-CD1 3.47Å; Y284-Y321 AromaticContact CE2-CD2 3.91Å; Y284-Y321 HydrophobicContact CE2-CD2 3.91Å; Y284-Y321 AromaticContact CE2-CE1 3.28Å; Y284-Y321 HydrophobicContact CE2-CE1 3.28Å; Y284-Y321 AromaticContact CE2-CE2 3.75Å; Y284-Y321 HydrophobicContact CE2-CE2 3.75Å; Y284-Y321 AromaticContact CE2-CG 3.77Å; Y284-Y321 HydrophobicContact CE2-CG 3.77Å; Y284-Y321 AromaticContact CE2-CZ 3.42Å; Y284-Y321 VanDerWaalsContact CE2-CZ 3.42Å; Y284-Y321 AromaticContact CG-CE2 3.97Å; Y284-Y321 HydrophobicContact CG-CE2 3.97Å; Y284-Y321 AromaticContact CZ-CE1 3.99Å; Y284-Y321 PolarHBondContact O-OH 3.4Å; L287-Y321 HydrophobicContact CB-CE2 4.31Å; L287-Y321 HydrophobicContact CD1-CE2 4.12Å; W288-Y321 HydrophobicContact CE3-CE1 4.4Å; W288-Y321 PolarHBondContact N-OH 3.37Å; L298-Y321 HydrophobicContact CD1-CE1 4.19Å; L298-Y321 HydrophobicContact CD2-CE1 4.31Å; L298-Y321 HydrophobicContact CG-CE1 4.5Å; V302-Y321 HydrophobicContact CB-CD2 4.46Å; V302-Y321 HydrophobicContact CG1-CD1 4.46Å; V302-Y321 HydrophobicContact CG1-CD2 3.85Å; V302-Y321 HydrophobicContact CG1-CG 3.82Å; V302-Y321 HydrophobicContact CG2-CD1 3.99Å; V302-Y321 HydrophobicContact CG2-CD2 3.68Å; V302-Y321 HydrophobicContact CG2-CE1 3.88Å; V302-Y321 HydrophobicContact CG2-CE2 3.54Å; V302-Y321 HydrophobicContact CG2-CG 3.91Å; T319-Y321 PolarHBondContact O-N 2.96Å; T319-Y321 PolarHBondContact OG1-N 3.28Å; Y321-E324 WeakPolarHBondContact CA-OE2 3.15Å; Y321-E324 PolarHBondContact O-N 2.86Å; Y321-L325 WeakPolarHBondContact O-CB 3.35Å; Y321-L325 VanDerWaalsContact O-CG 3.26Å; Y321-L325 WeakPolarHBondContact O-CG 3.34Å; Y321-L325 PolarHBondContact O-N 2.7Å
322T98.9Very high97.9Very high0 Ų031.9 Ų31.90%016%0.16CC..Hα-helixtrans-55.9-44.4-178.3-61.60000112.6L33 Y35 L75 T319 Y320 E324 L325 L326L33-T322 HydrophobicContact CB-CG2 3.96Å; L33-T322 HydrophobicContact CD1-CG2 4.21Å; Y35-T322 HydrophobicContact CG-CG2 4.49Å; L75-T322 HydrophobicContact CD1-CG2 3.62Å; T319-T322 PolarHBondContact O-N 3.18Å; T319-T322 PolarHBondContact O-OG1 3.18Å; Y320-T322 PolarHBondContact O-N 3.45Å; T322-E324 PolarHBondContact O-N 3.26Å; T322-L325 PolarHBondContact O-N 3.43Å; T322-L326 HydrophobicContact CG2-CD1 4.03Å; T322-L326 HydrophobicContact CG2-CG 4.18Å; T322-L326 VanDerWaalsContact O-CG 3.27Å; T322-L326 WeakPolarHBondContact O-CG 3.08Å; T322-L326 PolarHBondContact O-N 2.95Å
323P98.8Very high97.8Very high29 Ų2933.1 Ų33.119%0.18817%0.165CC..Hα-helixtrans-56.2-45176.4-27.237.8000113.8Y35 L70 Y320 T327Y35-P323 HydrophobicContact CD2-CG 4.37Å; Y35-P323 HydrophobicContact CE1-CG 4.34Å; Y35-P323 HydrophobicContact CE2-CG 3.85Å; L70-P323 HydrophobicContact CD1-CG 4.32Å; L70-P323 HydrophobicContact CD2-CB 3.83Å; L70-P323 HydrophobicContact CD2-CG 4.16Å; Y320-P323 WeakPolarHBondContact O-CD 3.03Å; P323-T327 PolarHBondContact O-OG1 3.38Å
324E98.6Very high97.8Very high51 Ų5134.4 Ų34.424%0.23817%0.169CC..Hα-helixtrans-68.2-44.9177.8-6586.316500111.6Y321 T322 L326 T327 W328Y321-E324 WeakPolarHBondContact CA-OE2 3.15Å; Y321-E324 PolarHBondContact O-N 2.86Å; T322-E324 PolarHBondContact O-N 3.26Å; E324-L326 VanDerWaalsContact C-N 3.35Å; E324-L326 PolarHBondContact O-N 2.87Å; E324-T327 WeakPolarHBondContact O-CB 3.21Å; E324-T327 PolarHBondContact O-N 3.34Å; E324-T327 VanDerWaalsContact O-N 3.08Å; E324-W328 HydrophobicContact CB-CD2 4.18Å; E324-W328 HydrophobicContact CB-CE3 4.2Å; E324-W328 HydrophobicContact CB-CH2 3.72Å; E324-W328 HydrophobicContact CB-CZ2 3.7Å; E324-W328 HydrophobicContact CB-CZ3 3.97Å; E324-W328 HydrophobicContact CG-CH2 4.29Å; E324-W328 HydrophobicContact CG-CZ2 4.16Å; E324-W328 VanDerWaalsContact O-CG 3.29Å; E324-W328 PolarHBondContact O-N 3.1Å
325L98.8Very high97.7Very high0 Ų036.5 Ų36.50%018%0.179CC..Hα-helixtrans-61-40.3179.8-75.4166000112.5L28 L33 V302 M303 M306 T319 Y321 T322 T327 W328 L329L28-L325 HydrophobicContact CD2-CD2 4.04Å; L33-L325 HydrophobicContact CD1-CB 3.77Å; L33-L325 HydrophobicContact CD1-CD1 4.29Å; L33-L325 HydrophobicContact CD2-CD1 3.95Å; V302-L325 HydrophobicContact CG1-CD1 4.48Å; V302-L325 HydrophobicContact CG1-CD2 4.11Å; V302-L325 HydrophobicContact CG1-CG 4.33Å; M303-L325 HydrophobicContact SD-CD2 3.55Å; M303-L325 VanDerWaalsContact SD-CD2 3.55Å; M306-L325 HydrophobicContact CG-CD1 3.9Å; M306-L325 HydrophobicContact CG-CD2 3.88Å; M306-L325 HydrophobicContact SD-CD1 3.81Å; T319-L325 HydrophobicContact CG2-CD1 3.72Å; Y321-L325 WeakPolarHBondContact O-CB 3.35Å; Y321-L325 VanDerWaalsContact O-CG 3.26Å; Y321-L325 WeakPolarHBondContact O-CG 3.34Å; Y321-L325 PolarHBondContact O-N 2.7Å; T322-L325 PolarHBondContact O-N 3.43Å; L325-T327 PolarHBondContact O-N 2.78Å; L325-W328 HydrophobicContact CD2-CE3 4.1Å; L325-W328 HydrophobicContact CG-CE3 4.49Å; L325-W328 PolarHBondContact O-N 3.12Å; L325-L329 VanDerWaalsContact O-CB 3.31Å; L325-L329 WeakPolarHBondContact O-CB 3.21Å; L325-L329 WeakPolarHBondContact O-CG 3.33Å; L325-L329 PolarHBondContact O-N 2.82Å
326L98.6Very high97.7Very high2 Ų235.4 Ų35.41%0.0117%0.172CC..Hα-helixtrans-59.9-33.3176.5-71.5172.2000112.1P30 L33 N73 L75 T322 E324P30-L326 HydrophobicContact CB-CD2 3.76Å; P30-L326 HydrophobicContact CG-CD2 4.26Å; L33-L326 HydrophobicContact CD1-CD2 4.36Å; N73-L326 HydrophobicContact CB-CB 4.39Å; N73-L326 WeakPolarHBondContact ND2-CB 3.19Å; L75-L326 HydrophobicContact CB-CD1 3.78Å; L75-L326 HydrophobicContact CD1-CD1 4.24Å; T322-L326 HydrophobicContact CG2-CD1 4.03Å; T322-L326 HydrophobicContact CG2-CG 4.18Å; T322-L326 VanDerWaalsContact O-CG 3.27Å; T322-L326 WeakPolarHBondContact O-CG 3.08Å; T322-L326 PolarHBondContact O-N 2.95Å; E324-L326 VanDerWaalsContact C-N 3.35Å; E324-L326 PolarHBondContact O-N 2.87Å
327T98.2Very high97.6Very high64 Ų6435.9 Ų35.939%0.39317%0.174SC..Hα-helixtrans-75.1-52.1174.4-54.80000110.7N73 P323 E324 L325 L329 K330N73-T327 PolarHBondContact ND2-OG1 3.44Å; P323-T327 PolarHBondContact O-OG1 3.38Å; E324-T327 WeakPolarHBondContact O-CB 3.21Å; E324-T327 PolarHBondContact O-N 3.34Å; E324-T327 VanDerWaalsContact O-N 3.08Å; L325-T327 PolarHBondContact O-N 2.78Å; T327-L329 PolarHBondContact O-N 2.54Å; T327-K330 PolarHBondContact O-N 3.16Å; T327-K330 VanDerWaalsContact O-N 3.09Å
328W98.4Very high97.5Very high39 Ų3938.4 Ų38.415%0.14819%0.186CC..Hα-helixtrans-64.7-23.7-175.6-62.6-22.7000114.6R299 V302 M303 E324 L325 K330R299-W328 HydrophobicContact CB-CD2 4.24Å; R299-W328 HydrophobicContact CB-CE3 4.35Å; R299-W328 HydrophobicContact CB-CH2 3.99Å; R299-W328 HydrophobicContact CB-CZ2 3.83Å; R299-W328 HydrophobicContact CB-CZ3 4.24Å; R299-W328 HydrophobicContact CG-CD2 3.65Å; R299-W328 HydrophobicContact CG-CE3 3.83Å; R299-W328 HydrophobicContact CG-CG 4.06Å; R299-W328 HydrophobicContact CG-CH2 4.38Å; R299-W328 HydrophobicContact CG-CZ2 4.2Å; R299-W328 HydrophobicContact CG-CZ3 4.2Å; R299-W328 PolarHBondContact NH2-O 3.36Å; V302-W328 HydrophobicContact CB-CH2 4.47Å; V302-W328 HydrophobicContact CB-CZ3 3.87Å; V302-W328 HydrophobicContact CG1-CZ3 3.85Å; V302-W328 HydrophobicContact CG2-CZ3 4.42Å; M303-W328 HydrophobicContact SD-CE3 4.46Å; E324-W328 HydrophobicContact CB-CD2 4.18Å; E324-W328 HydrophobicContact CB-CE3 4.2Å; E324-W328 HydrophobicContact CB-CH2 3.72Å; E324-W328 HydrophobicContact CB-CZ2 3.7Å; E324-W328 HydrophobicContact CB-CZ3 3.97Å; E324-W328 HydrophobicContact CG-CH2 4.29Å; E324-W328 HydrophobicContact CG-CZ2 4.16Å; E324-W328 VanDerWaalsContact O-CG 3.29Å; E324-W328 PolarHBondContact O-N 3.1Å; L325-W328 HydrophobicContact CD2-CE3 4.1Å; L325-W328 HydrophobicContact CG-CE3 4.49Å; L325-W328 PolarHBondContact O-N 3.12Å; W328-K330 VanDerWaalsContact C-N 3.28Å
329L96.9Very high97.4Very high49 Ų4941.4 Ų41.426%0.25720%0.201SC..THydrogen-bonded Turntrans-77-11177-74.7171.9000113.7L28 P30 L33 M303 L325 T327L28-L329 HydrophobicContact CB-CD2 4.24Å; L28-L329 HydrophobicContact CD2-CD1 4.21Å; L28-L329 HydrophobicContact CD2-CD2 4.19Å; L28-L329 HydrophobicContact CG-CD1 4.26Å; L28-L329 HydrophobicContact CG-CD2 4.34Å; P30-L329 HydrophobicContact CG-CD1 4.33Å; L33-L329 HydrophobicContact CD1-CD1 4.23Å; M303-L329 HydrophobicContact CE-CD2 4.28Å; L325-L329 VanDerWaalsContact O-CB 3.31Å; L325-L329 WeakPolarHBondContact O-CB 3.21Å; L325-L329 WeakPolarHBondContact O-CG 3.33Å; L325-L329 PolarHBondContact O-N 2.82Å; T327-L329 PolarHBondContact O-N 2.54Å
330K94.3Very high97.2Very high137 Ų13744.8 Ų44.860%0.59622%0.217SC*.  trans-93.8-14.4176.4-66.8-179.6175.5-174.40113.3N73 T327 W328N73-K330 WeakPolarHBondContact O-CE 3.45Å; N73-K330 PolarHBondContact O-NZ 3.15Å; N73-K330 WeakPolarHBondContact OD1-CE 3.46Å; N73-K330 PolarHBondContact OD1-NZ 3.12Å; T327-K330 PolarHBondContact O-N 3.16Å; T327-K330 VanDerWaalsContact O-N 3.09Å; W328-K330 VanDerWaalsContact C-N 3.28Å
331E87.8Confident97.1Very high166 Ų16648.8 Ų48.878%0.77624%0.237SC*.  trans-92.10179.5-63.1174.9-158.800111.1R299R299-E331 IonicContact CZ-OE2 3.21Å; R299-E331 IonicContact NH1-OE2 3.18Å; R299-E331 PolarHBondContact NH1-OE2 2.82Å; R299-E331 IonicContact NH2-OE2 3.15Å; R299-E331 PolarHBondContact NH2-OE2 3.38Å

Retrieved 331 of 331 residues in 564.3 ms (Link to these results)

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