G4VC15_SCHMA Loading...

Aspartate aminotransferase

AlphaFold DB , UniProt , Accession G4VC15, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 405 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
1M83.3Confident93.2Very high209 Ų209133.8 Ų133.8100%1.0371%0.714SS**  0124.60-155.6168.3-88.200106.6E5M1-E5 VanDerWaalsContact CG-OE1 3.25Å; M1-E5 WeakPolarHBondContact CG-OE1 3.26Å; M1-E5 WeakPolarHBondContact CG-OE2 3.41Å; M1-E5 VanDerWaalsContact SD-OE1 3.36Å
2S92.6Very high93Very high74 Ų74131.4 Ų131.452%0.51771%0.711SS.*  trans-76.9139.8-174.7176.90000109.4F4 E5S2-F4 PolarHBondContact O-N 2.74Å; S2-F4 VanDerWaalsContact O-N 3.13Å; S2-F4 PolarHBondContact OG-N 2.65Å; S2-E5 WeakPolarHBondContact O-CG 3.16Å; S2-E5 PolarHBondContact O-N 3.26Å
3F94.8Very high92.9Very high185 Ų185130.2 Ų130.281%0.81170%0.702SS**THydrogen-bonded Turntrans-58.6-25.9174.9-169.4-91.9000112.5
4F96.4Very high93Very high139 Ų139125.1 Ų125.161%0.6167%0.672SS**THydrogen-bonded Turntrans-104.717.7-177.5-57.8-58.2000114S2 L6 V7S2-F4 PolarHBondContact O-N 2.74Å; S2-F4 VanDerWaalsContact O-N 3.13Å; S2-F4 PolarHBondContact OG-N 2.65Å; F4-L6 PolarHBondContact O-N 3.47Å; F4-V7 HydrophobicContact CB-CB 4.4Å; F4-V7 HydrophobicContact CB-CG2 4.04Å; F4-V7 HydrophobicContact CD1-CG2 4.03Å; F4-V7 WeakPolarHBondContact O-CB 3.3Å; F4-V7 PolarHBondContact O-N 2.95Å
5E95.4Very high92.9Very high101 Ų101119.1 Ų119.147%0.47264%0.641SS.*THydrogen-bonded Turntrans-63.4-24.2-17771.4-175.5-178.500114.7M1 S2M1-E5 VanDerWaalsContact CG-OE1 3.25Å; M1-E5 WeakPolarHBondContact CG-OE1 3.26Å; M1-E5 WeakPolarHBondContact CG-OE2 3.41Å; M1-E5 VanDerWaalsContact SD-OE1 3.36Å; S2-E5 WeakPolarHBondContact O-CG 3.16Å; S2-E5 PolarHBondContact O-N 3.26Å
6L94.4Very high92.9Very high141 Ų141121.8 Ų121.874%0.73864%0.641SS**THydrogen-bonded Turntrans-91.4-0.4177.3-60.1179.4000113.2F4 H8F4-L6 PolarHBondContact O-N 3.47Å; L6-H8 PolarHBondContact O-N 3.09Å
7V95.9Very high93Very high104 Ų104116.7 Ų116.763%0.6362%0.62SS**  trans-84.9111.8178.4-177.20000108.3F4F4-V7 HydrophobicContact CB-CB 4.4Å; F4-V7 HydrophobicContact CB-CG2 4.04Å; F4-V7 HydrophobicContact CD1-CG2 4.03Å; F4-V7 WeakPolarHBondContact O-CB 3.3Å; F4-V7 PolarHBondContact O-N 2.95Å
8H94Very high93.1Very high153 Ų153111.2 Ų111.271%0.70859%0.591SS**PPolyproline II helixtrans-103.7160.8174.6-57.8-62.1000111L6 A10L6-H8 PolarHBondContact O-N 3.09Å; H8-A10 PolarHBondContact O-N 3.08Å
9D93.6Very high93.2Very high165 Ų165106.9 Ų106.988%0.88257%0.57SS**PPolyproline II helixtrans-55.8128.6175.7-69.9-29.3000110.7
10A92.7Very high93.3Very high85 Ų85107.7 Ų107.770%0.70257%0.57SS**PPolyproline II helixtrans-70.4146.6171.300000109.5H8H8-A10 PolarHBondContact O-N 3.08Å
11P91.9Very high93.4Very high116 Ų116103.5 Ų103.575%0.75355%0.55SS*.PPolyproline II helixtrans-54.8138.6171.3-2433.3000110.8
12P90.8Very high94.1Very high105 Ų10593.9 Ų93.968%0.68250%0.503SS*.PPolyproline II helixtrans-63.4141.7-179.525.3-33.3000110.7E14 A17P12-E14 PolarHBondContact O-N 3.3Å; P12-E14 VanDerWaalsContact O-N 3.13Å; P12-A17 HydrophobicContact CB-CB 3.97Å
13I91.9Very high94.2Very high115 Ų11595.9 Ų95.959%0.5951%0.508SS*.  trans-74.7106.7168.7-58.5173.3000107.2V15 Y16 A17I13-V15 VanDerWaalsContact C-N 3.33Å; I13-V15 HydrophobicContact CG2-CG1 4.06Å; I13-V15 PolarHBondContact O-N 2.82Å; I13-V15 VanDerWaalsContact O-N 3.14Å; I13-Y16 HydrophobicContact CB-CD2 3.85Å; I13-Y16 HydrophobicContact CD1-CD2 4.26Å; I13-Y16 HydrophobicContact CD1-CE2 4.46Å; I13-Y16 HydrophobicContact CG2-CD2 3.59Å; I13-Y16 HydrophobicContact CG2-CE2 4.09Å; I13-Y16 PolarHBondContact O-N 2.99Å; I13-A17 PolarHBondContact O-N 3.13Å; I13-A17 VanDerWaalsContact O-N 3.07Å
14E93.6Very high94.3Very high59 Ų5993.6 Ų93.628%0.27650%0.5SS..Hα-helixtrans-47.3-48.5-168.6-173.7-168176.900114.4P12 Y16 A17 L18 M374 H375P12-E14 PolarHBondContact O-N 3.3Å; P12-E14 VanDerWaalsContact O-N 3.13Å; E14-Y16 PolarHBondContact O-N 2.92Å; E14-A17 PolarHBondContact O-N 3.28Å; E14-L18 VanDerWaalsContact O-CB 3.24Å; E14-L18 WeakPolarHBondContact O-CB 3.23Å; E14-L18 PolarHBondContact O-N 2.88Å; E14-M374 HydrophobicContact CB-CE 4.21Å; E14-M374 HydrophobicContact CG-CE 3.92Å; E14-M374 WeakPolarHBondContact OE2-CE 3.3Å; E14-H375 WeakPolarHBondContact OE1-CB 3.31Å; E14-H375 IonicContact OE1-CE1 2.76Å; E14-H375 IonicContact OE1-CG 2.95Å; E14-H375 PolarHBondContact OE1-N 2.97Å; E14-H375 IonicContact OE1-ND1 2.71Å; E14-H375 PolarHBondContact OE1-ND1 3.04Å; E14-H375 IonicContact OE2-CE1 3.47Å; E14-H375 PolarHBondContact OE2-CE1 2.8Å; E14-H375 IonicContact OE2-ND1 3.29Å; E14-H375 PolarHBondContact OE2-ND1 3.05Å
15V91.7Very high94.4Very high35 Ų3588.3 Ų88.321%0.21248%0.478CS..Hα-helixtrans-60.4-32.1-177.966.10000112.7I13 T19 V35 M374I13-V15 VanDerWaalsContact C-N 3.33Å; I13-V15 HydrophobicContact CG2-CG1 4.06Å; I13-V15 PolarHBondContact O-N 2.82Å; I13-V15 VanDerWaalsContact O-N 3.14Å; V15-T19 PolarHBondContact O-N 3.01Å; V15-T19 PolarHBondContact O-OG1 3.34Å; V15-V35 HydrophobicContact CG2-CG2 4.34Å; V15-M374 HydrophobicContact CB-CE 4.31Å; V15-M374 HydrophobicContact CB-SD 4.19Å; V15-M374 HydrophobicContact CG2-SD 4.36Å
16Y92.7Very high94.5Very high163 Ų16392.9 Ų92.964%0.63950%0.497SS*.Hα-helixtrans-81.2-43.6177.3-66.8-60.8000111.4I13 E14 L18 T19 E20I13-Y16 HydrophobicContact CB-CD2 3.85Å; I13-Y16 HydrophobicContact CD1-CD2 4.26Å; I13-Y16 HydrophobicContact CD1-CE2 4.46Å; I13-Y16 HydrophobicContact CG2-CD2 3.59Å; I13-Y16 HydrophobicContact CG2-CE2 4.09Å; I13-Y16 PolarHBondContact O-N 2.99Å; E14-Y16 PolarHBondContact O-N 2.92Å; Y16-L18 VanDerWaalsContact C-N 3.26Å; Y16-L18 PolarHBondContact O-N 3.41Å; Y16-T19 WeakPolarHBondContact O-CA 3.29Å; Y16-T19 WeakPolarHBondContact O-CB 3.31Å; Y16-T19 PolarHBondContact O-N 2.8Å; Y16-E20 PolarHBondContact O-N 2.86Å
17A94.6Very high94.6Very high35 Ų3588.7 Ų88.729%0.28948%0.475SS..Hα-helixtrans-59.7-38.3175.300000112.1P12 I13 E14 T19 E20 A21P12-A17 HydrophobicContact CB-CB 3.97Å; I13-A17 PolarHBondContact O-N 3.13Å; I13-A17 VanDerWaalsContact O-N 3.07Å; E14-A17 PolarHBondContact O-N 3.28Å; A17-T19 VanDerWaalsContact C-N 3.31Å; A17-T19 PolarHBondContact O-N 3.49Å; A17-E20 PolarHBondContact O-N 2.89Å; A17-A21 WeakPolarHBondContact O-CB 3.44Å; A17-A21 PolarHBondContact O-N 3.36Å
18L94.8Very high94.6Very high17 Ų1789.8 Ų89.89%0.08948%0.482CS..Hα-helixtrans-64.7-36.9174.5-169.376.6000111.8E14 Y16 C22 Y372 M374E14-L18 VanDerWaalsContact O-CB 3.24Å; E14-L18 WeakPolarHBondContact O-CB 3.23Å; E14-L18 PolarHBondContact O-N 2.88Å; Y16-L18 VanDerWaalsContact C-N 3.26Å; Y16-L18 PolarHBondContact O-N 3.41Å; L18-C22 WeakPolarHBondContact O-CB 3.31Å; L18-C22 PolarHBondContact O-N 2.76Å; L18-Y372 HydrophobicContact CD1-CD1 3.72Å; L18-Y372 HydrophobicContact CD1-CG 4.27Å; L18-Y372 HydrophobicContact CG-CD1 4.08Å; L18-Y372 HydrophobicContact CG-CG 4.48Å; L18-Y372 WeakPolarHBondContact O-CD1 3.28Å; L18-M374 HydrophobicContact CD2-SD 4.17Å
19T94.9Very high94.6Very high31 Ų3187.9 Ų87.919%0.1947%0.473CS..Hα-helixtrans-69.2-44.6176.9-59.40000112.1V15 Y16 A17 C22 N23 N32 V35V15-T19 PolarHBondContact O-N 3.01Å; V15-T19 PolarHBondContact O-OG1 3.34Å; Y16-T19 WeakPolarHBondContact O-CA 3.29Å; Y16-T19 WeakPolarHBondContact O-CB 3.31Å; Y16-T19 PolarHBondContact O-N 2.8Å; A17-T19 VanDerWaalsContact C-N 3.31Å; A17-T19 PolarHBondContact O-N 3.49Å; T19-C22 PolarHBondContact O-N 3.26Å; T19-N23 VanDerWaalsContact O-CG 3.24Å; T19-N23 PolarHBondContact O-N 3.39Å; T19-N23 PolarHBondContact O-ND2 3.09Å; T19-N32 WeakPolarHBondContact CA-ND2 3.22Å; T19-N32 PolarHBondContact OG1-ND2 3.48Å; T19-V35 HydrophobicContact CG2-CG2 4.33Å; T19-V35 WeakPolarHBondContact OG1-CG2 3.4Å
20E95.8Very high94.7Very high122 Ų12283.2 Ų83.257%0.5745%0.445SS*.Hα-helixtrans-59.2-51.6175.5-176.8169.3-149.100110.7Y16 A17 C22 N23 E24Y16-E20 PolarHBondContact O-N 2.86Å; A17-E20 PolarHBondContact O-N 2.89Å; E20-C22 PolarHBondContact O-N 2.9Å; E20-N23 WeakPolarHBondContact O-CA 3.4Å; E20-N23 WeakPolarHBondContact O-CB 3.28Å; E20-N23 PolarHBondContact O-N 2.92Å; E20-E24 WeakPolarHBondContact O-CG 3.41Å; E20-E24 PolarHBondContact O-N 3.33Å
21A96.3Very high94.9Very high19 Ų1980 Ų8016%0.15742%0.416CS..Hα-helixtrans-61.1-32.1177.900000112.9A17 D25 Y372A17-A21 WeakPolarHBondContact O-CB 3.44Å; A17-A21 PolarHBondContact O-N 3.36Å; A21-D25 PolarHBondContact O-N 2.91Å; A21-Y372 HydrophobicContact CB-CD1 4.35Å; A21-Y372 HydrophobicContact CB-CE1 3.64Å; A21-Y372 WeakPolarHBondContact O-CE1 3.47Å; A21-Y372 PolarHBondContact O-OH 3.42Å
22C96.5Very high95.1Very high7 Ų776.1 Ų76.15%0.04739%0.389CS..Hα-helixtrans-72.3-33.5173.2-173.70000112L18 T19 E20 K30 N32 Y372L18-C22 WeakPolarHBondContact O-CB 3.31Å; L18-C22 PolarHBondContact O-N 2.76Å; T19-C22 PolarHBondContact O-N 3.26Å; E20-C22 PolarHBondContact O-N 2.9Å; C22-K30 VanDerWaalsContact O-CD 3.23Å; C22-K30 WeakPolarHBondContact O-CD 3.28Å; C22-K30 VanDerWaalsContact O-CE 3.32Å; C22-K30 WeakPolarHBondContact O-CE 3.32Å; C22-K30 PolarHBondContact O-NZ 3.01Å; C22-N32 HydrophobicContact CB-CB 4.22Å; C22-Y372 HydrophobicContact CB-CD1 3.72Å; C22-Y372 HydrophobicContact CB-CD2 3.79Å; C22-Y372 HydrophobicContact CB-CE1 3.94Å; C22-Y372 HydrophobicContact CB-CE2 4.04Å; C22-Y372 HydrophobicContact CB-CG 3.65Å
23N95.8Very high95.4Very high117 Ų11771.1 Ų71.163%0.62636%0.357SS*.Hα-helixtrans-69.6-36.7177.5-70.5-22.4000111.5T19 E20 K30T19-N23 VanDerWaalsContact O-CG 3.24Å; T19-N23 PolarHBondContact O-N 3.39Å; T19-N23 PolarHBondContact O-ND2 3.09Å; E20-N23 WeakPolarHBondContact O-CA 3.4Å; E20-N23 WeakPolarHBondContact O-CB 3.28Å; E20-N23 PolarHBondContact O-N 2.92Å; N23-K30 PolarHBondContact O-NZ 2.87Å; N23-K30 VanDerWaalsContact O-NZ 3.07Å
24E97.2Very high95.4Very high137 Ų13765.7 Ų65.764%0.6433%0.329SS*.Hα-helixtrans-72.3-27.2178.9-68.5178.9159.200114.3E20 K26E20-E24 WeakPolarHBondContact O-CG 3.41Å; E20-E24 PolarHBondContact O-N 3.33Å; E24-K26 PolarHBondContact O-N 3.22Å
25D97.9Very high95.3Very high27 Ų2764.6 Ų64.614%0.14433%0.326CS..  trans-61.9133.9178-169.8-10.7000111.2A21 D27 K30 H370 Y372A21-D25 PolarHBondContact O-N 2.91Å; D25-D27 PolarHBondContact OD1-N 3.33Å; D25-K30 HydrophobicContact CB-CD 3.81Å; D25-K30 VanDerWaalsContact O-CD 3.28Å; D25-K30 WeakPolarHBondContact O-CD 3.35Å; D25-K30 WeakPolarHBondContact O-CE 3.27Å; D25-K30 PolarHBondContact O-NZ 2.95Å; D25-H370 IonicContact OD1-CE1 2.69Å; D25-H370 IonicContact OD1-ND1 3.19Å; D25-H370 PolarHBondContact OD1-ND1 2.82Å; D25-H370 IonicContact OD2-CE1 2.74Å; D25-H370 IonicContact OD2-CG 3.43Å; D25-H370 IonicContact OD2-ND1 2.82Å; D25-H370 PolarHBondContact OD2-ND1 3.3Å; D25-Y372 HydrophobicContact CB-CE2 4.29Å; D25-Y372 VanDerWaalsContact CB-OH 3.27Å; D25-Y372 WeakPolarHBondContact CB-OH 3.4Å; D25-Y372 PolarHBondContact OD2-OH 2.63Å
26K97.3Very high95.2Very high198 Ų19863.8 Ų63.886%0.86133%0.325SS*.  trans-96.3-7-177.1-63.5-177.9-177.6176.50112.9E24E24-K26 PolarHBondContact O-N 3.22Å
27D97.4Very high95.3Very high52 Ų5256.5 Ų56.528%0.27830%0.298SS..  trans-65.6139178.4-161.9-76.6000111.2D25 H29 K30 H370D25-D27 PolarHBondContact OD1-N 3.33Å; D27-H29 VanDerWaalsContact C-N 3.3Å; D27-H29 PolarHBondContact O-N 3.38Å; D27-H29 WeakPolarHBondContact OD1-CA 3.49Å; D27-H29 WeakPolarHBondContact OD1-CB 3.18Å; D27-H29 IonicContact OD1-CG 3.56Å; D27-H29 PolarHBondContact OD1-N 2.71Å; D27-H29 IonicContact OD1-ND1 3.03Å; D27-H29 PolarHBondContact OD1-ND1 2.9Å; D27-K30 WeakPolarHBondContact O-CD 3.2Å; D27-K30 VanDerWaalsContact O-CG 3.28Å; D27-K30 WeakPolarHBondContact O-CG 3.49Å; D27-H370 HydrophobicContact CB-CB 4.22Å; D27-H370 WeakPolarHBondContact CB-ND1 3.29Å; D27-H370 IonicContact OD1-CD2 2.76Å; D27-H370 IonicContact OD2-CD2 3.97Å; D27-H370 IonicContact OD2-NE2 2.78Å
28T95.1Very high95.4Very high127 Ų12755.3 Ų55.378%0.77929%0.287SS*.THydrogen-bonded Turntrans-76.2-17.8-177.851.50000113.4
29H93.5Very high95.5Very high113 Ų11357.6 Ų57.652%0.52329%0.294SS..THydrogen-bonded Turntrans-95.73.3-179.8-50.491.9000112.8D27 V31D27-H29 VanDerWaalsContact C-N 3.3Å; D27-H29 PolarHBondContact O-N 3.38Å; D27-H29 WeakPolarHBondContact OD1-CA 3.49Å; D27-H29 WeakPolarHBondContact OD1-CB 3.18Å; D27-H29 IonicContact OD1-CG 3.56Å; D27-H29 PolarHBondContact OD1-N 2.71Å; D27-H29 IonicContact OD1-ND1 3.03Å; D27-H29 PolarHBondContact OD1-ND1 2.9Å; H29-V31 WeakPolarHBondContact O-CG2 3.47Å; H29-V31 PolarHBondContact O-N 3.24Å
30K96.7Very high95.6Very high68 Ų6857.2 Ų57.230%0.29629%0.291SS..  trans-59137.4-179.771.4-173.9-175.3167.40112C22 N23 D25 D27 H370C22-K30 VanDerWaalsContact O-CD 3.23Å; C22-K30 WeakPolarHBondContact O-CD 3.28Å; C22-K30 VanDerWaalsContact O-CE 3.32Å; C22-K30 WeakPolarHBondContact O-CE 3.32Å; C22-K30 PolarHBondContact O-NZ 3.01Å; N23-K30 PolarHBondContact O-NZ 2.87Å; N23-K30 VanDerWaalsContact O-NZ 3.07Å; D25-K30 HydrophobicContact CB-CD 3.81Å; D25-K30 VanDerWaalsContact O-CD 3.28Å; D25-K30 WeakPolarHBondContact O-CD 3.35Å; D25-K30 WeakPolarHBondContact O-CE 3.27Å; D25-K30 PolarHBondContact O-NZ 2.95Å; D27-K30 WeakPolarHBondContact O-CD 3.2Å; D27-K30 VanDerWaalsContact O-CG 3.28Å; D27-K30 WeakPolarHBondContact O-CG 3.49Å; K30-H370 CarbonylContact C-O 3.41Å; K30-H370 WeakPolarHBondContact CA-O 3.39Å; K30-H370 HydrophobicContact CB-CB 3.96Å
31V96.3Very high95.5Very high16 Ų1653.8 Ų53.810%0.09728%0.277CS..EExtended strand (participates in β ladder)trans-135.4128.4175.6-170.80000110.6H29 L33 H370 L371 Y372 N388H29-V31 WeakPolarHBondContact O-CG2 3.47Å; H29-V31 PolarHBondContact O-N 3.24Å; V31-L33 HydrophobicContact CG1-CD2 3.71Å; V31-L33 HydrophobicContact CG1-CG 4.1Å; V31-L33 PolarHBondContact O-N 2.87Å; V31-H370 PolarHBondContact N-O 3.45Å; V31-L371 HydrophobicContact CB-CD2 3.58Å; V31-L371 HydrophobicContact CG2-CD2 3.75Å; V31-Y372 PolarHBondContact O-N 2.96Å; V31-N388 HydrophobicContact CG2-CB 4.24Å
32N95.8Very high95.4Very high35 Ų3559 Ų5919%0.18730%0.298CS..EExtended strand (participates in β ladder)trans-86.8104.4169.8-171.8-23000110.7T19 C22 G34 V35 A383T19-N32 WeakPolarHBondContact CA-ND2 3.22Å; T19-N32 PolarHBondContact OG1-ND2 3.48Å; C22-N32 HydrophobicContact CB-CB 4.22Å; N32-G34 PolarHBondContact OD1-N 3.07Å; N32-V35 PolarHBondContact OD1-N 3.41Å; N32-A383 VanDerWaalsContact O-CB 3.26Å; N32-A383 WeakPolarHBondContact O-CB 3.48Å
33L96.9Very high95.3Very high1 Ų160.4 Ų60.41%0.00531%0.314CS..  trans-970.8175.1-59.9177.7000112.2V31 Y372 I373 I379 N380 A383 L384 I392V31-L33 HydrophobicContact CG1-CD2 3.71Å; V31-L33 HydrophobicContact CG1-CG 4.1Å; V31-L33 PolarHBondContact O-N 2.87Å; L33-Y372 CarbonylContact C-O 3.42Å; L33-Y372 WeakPolarHBondContact CA-O 3.42Å; L33-Y372 WeakPolarHBondContact CB-O 3.3Å; L33-Y372 PolarHBondContact N-O 3.43Å; L33-I373 HydrophobicContact CB-CG1 4.16Å; L33-I373 HydrophobicContact CD1-CD1 4.13Å; L33-I373 HydrophobicContact CD1-CG1 3.9Å; L33-I379 HydrophobicContact CB-CB 4.18Å; L33-I379 HydrophobicContact CB-CG2 4.16Å; L33-I379 HydrophobicContact CD1-CG2 4.09Å; L33-I379 CarbonylContact O-C 3.6Å; L33-I379 WeakPolarHBondContact O-CA 3.21Å; L33-N380 VanDerWaalsContact O-CB 3.32Å; L33-N380 WeakPolarHBondContact O-CB 3.32Å; L33-N380 PolarHBondContact O-N 3.42Å; L33-A383 HydrophobicContact CD2-CB 3.71Å; L33-L384 HydrophobicContact CD2-CD1 3.78Å; L33-I392 HydrophobicContact CD1-CD1 4.37Å; L33-I392 HydrophobicContact CD1-CG1 4.41Å; L33-I392 HydrophobicContact CD1-CG2 4.27Å; L33-I392 HydrophobicContact CD2-CD1 4Å
34G93.8Very high95.2Very high0 Ų061.3 Ų61.30%031%0.313CS..SBendtrans-87.3-39.1-176.300000114.8N32 G36 Y372 R378N32-G34 PolarHBondContact OD1-N 3.07Å; G34-G36 PolarHBondContact O-N 3.03Å; G34-Y372 PolarHBondContact N-O 2.95Å; G34-R378 PolarHBondContact O-NH2 3.22Å
35V89.7Confident95.1Very high37 Ų3759.5 Ų59.522%0.22431%0.313CS..SBendtrans-71124-172.7176.80000111.4V15 T19 N32 A37 N380V15-V35 HydrophobicContact CG2-CG2 4.34Å; T19-V35 HydrophobicContact CG2-CG2 4.33Å; T19-V35 WeakPolarHBondContact OG1-CG2 3.4Å; N32-V35 PolarHBondContact OD1-N 3.41Å; V35-A37 VanDerWaalsContact C-N 3.27Å; V35-A37 HydrophobicContact CG1-CB 3.96Å; V35-A37 PolarHBondContact O-N 2.94Å; V35-N380 WeakPolarHBondContact O-CB 3.37Å; V35-N380 VanDerWaalsContact O-CG 3.3Å; V35-N380 PolarHBondContact O-ND2 3.24Å
36G91Very high95.1Very high18 Ų1861.3 Ų61.319%0.18632%0.318CS..  trans-7862.4176.500000114.8G34G34-G36 PolarHBondContact O-N 3.03Å
37A95.1Very high95.1Very high9 Ų954.6 Ų54.67%0.07429%0.293CS..  trans-130.6144.1175.800000111.2V35 Y255 N380 C382V35-A37 VanDerWaalsContact C-N 3.27Å; V35-A37 HydrophobicContact CG1-CB 3.96Å; V35-A37 PolarHBondContact O-N 2.94Å; A37-Y255 HydrophobicContact CB-CD1 4.35Å; A37-Y255 HydrophobicContact CB-CE1 3.85Å; A37-N380 PolarHBondContact O-ND2 3.09Å; A37-C382 WeakPolarHBondContact O-CB 3.17Å
38Y96.8Very high95.1Very high11 Ų1152.1 Ų52.14%0.04328%0.28CS..  trans-68.4144.6177.8-178.4-95.6000111.2W46 Y255 M318 R321 C382Y38-W46 HydrophobicContact CD1-CB 3.76Å; Y38-W46 HydrophobicContact CD1-CE3 4Å; Y38-W46 HydrophobicContact CE1-CB 3.71Å; Y38-W46 AromaticContact CE1-CD2 3.95Å; Y38-W46 HydrophobicContact CE1-CD2 3.95Å; Y38-W46 AromaticContact CE1-CE3 3.5Å; Y38-W46 HydrophobicContact CE1-CE3 3.5Å; Y38-W46 HydrophobicContact CE1-CG 4.09Å; Y38-W46 HydrophobicContact CE1-CZ3 4.39Å; Y38-Y255 VanDerWaalsContact CB-OH 3.3Å; Y38-Y255 WeakPolarHBondContact CB-OH 3.41Å; Y38-Y255 PolarHBondContact N-OH 3Å; Y38-M318 HydrophobicContact CD1-CG 4.17Å; Y38-M318 HydrophobicContact CD1-SD 3.97Å; Y38-M318 HydrophobicContact CD2-CB 3.9Å; Y38-M318 HydrophobicContact CD2-CG 3.89Å; Y38-M318 HydrophobicContact CD2-SD 4.09Å; Y38-M318 HydrophobicContact CE1-CG 3.88Å; Y38-M318 HydrophobicContact CE1-SD 4.26Å; Y38-M318 HydrophobicContact CE2-CB 3.55Å; Y38-M318 HydrophobicContact CE2-CG 3.59Å; Y38-M318 HydrophobicContact CE2-SD 4.38Å; Y38-M318 HydrophobicContact CG-CG 4.16Å; Y38-M318 HydrophobicContact CG-SD 3.87Å; Y38-R321 WeakPolarHBondContact OH-CD 3.28Å; Y38-C382 HydrophobicContact CD2-CB 4.33Å
39R96.2Very high95.3Very high64 Ų6448.8 Ų48.824%0.24226%0.26CS..BIsolated β-bridgetrans-135.5152.1172.9-58.1-68.3-178.8-98.41.8110.5G43 K44 C382R39-G43 WeakPolarHBondContact CD-O 3.27Å; R39-K44 CarbonylContact C-O 3.34Å; R39-K44 WeakPolarHBondContact CA-O 3.45Å; R39-K44 VanDerWaalsContact CD-C 3.47Å; R39-K44 WeakPolarHBondContact CD-O 3.45Å; R39-C382 WeakPolarHBondContact CB-O 3.23Å
40T95.7Very high95.5Very high23 Ų2343.4 Ų43.414%0.14124%0.235CC..  trans-70.7176.2170.769.40000111.2E42 G43 K44 W46 R321T40-E42 WeakPolarHBondContact CB-OE2 3.5Å; T40-E42 PolarHBondContact O-N 3.05Å; T40-E42 PolarHBondContact OG1-N 3.4Å; T40-E42 PolarHBondContact OG1-OE2 3Å; T40-G43 PolarHBondContact O-N 3.35Å; T40-K44 PolarHBondContact N-O 3.44Å; T40-K44 PolarHBondContact OG1-N 2.93Å; T40-W46 HydrophobicContact CG2-CB 3.72Å; T40-W46 HydrophobicContact CG2-CG 3.93Å; T40-R321 PolarHBondContact O-NH1 3.38Å
41N95.5Very high95.6Very high51 Ų5140.3 Ų40.327%0.27322%0.222SC..THydrogen-bonded Turntrans-65-17.8174.3-165.349.4000113.2G43 T385 T386N41-G43 VanDerWaalsContact C-N 3.25Å; N41-G43 PolarHBondContact O-N 3.4Å; N41-T385 WeakPolarHBondContact O-CB 3.28Å; N41-T385 WeakPolarHBondContact O-CG2 3.34Å; N41-T386 PolarHBondContact ND2-OG1 3.01Å; N41-T386 PolarHBondContact OD1-N 3.32Å; N41-T386 PolarHBondContact OD1-OG1 2.92Å
42E94.3Very high95.7Very high127 Ų12746 Ų4659%0.59324%0.242SC*.THydrogen-bonded Turntrans-87.66.3172.9-52.369.1-142.800112.1T40 K44T40-E42 WeakPolarHBondContact CB-OE2 3.5Å; T40-E42 PolarHBondContact O-N 3.05Å; T40-E42 PolarHBondContact OG1-N 3.4Å; T40-E42 PolarHBondContact OG1-OE2 3Å; E42-K44 VanDerWaalsContact C-N 3.29Å; E42-K44 HydrophobicContact CB-CD 4.42Å; E42-K44 HydrophobicContact CB-CG 4.31Å; E42-K44 PolarHBondContact O-N 3.45Å
43G92.9Very high95.8Very high38 Ų3847.2 Ų47.239%0.39225%0.251SS..SBendtrans73.316.5-178.500000114.2R39 T40 N41R39-G43 WeakPolarHBondContact CD-O 3.27Å; T40-G43 PolarHBondContact O-N 3.35Å; N41-G43 VanDerWaalsContact C-N 3.25Å; N41-G43 PolarHBondContact O-N 3.4Å
44K94.4Very high95.9Very high136 Ų13647.2 Ų47.259%0.59125%0.251SS*.  trans-97.3150.3-175.7-65.4-177.4179.7177.60112.4R39 T40 E42 W46R39-K44 CarbonylContact C-O 3.34Å; R39-K44 WeakPolarHBondContact CA-O 3.45Å; R39-K44 VanDerWaalsContact CD-C 3.47Å; R39-K44 WeakPolarHBondContact CD-O 3.45Å; T40-K44 PolarHBondContact N-O 3.44Å; T40-K44 PolarHBondContact OG1-N 2.93Å; E42-K44 VanDerWaalsContact C-N 3.29Å; E42-K44 HydrophobicContact CB-CD 4.42Å; E42-K44 HydrophobicContact CB-CG 4.31Å; E42-K44 PolarHBondContact O-N 3.45Å; K44-W46 PolarHBondContact O-N 2.97Å
45P95.4Very high96.2Very high98 Ų9850 Ų5064%0.63626%0.263SS*.BIsolated β-bridgetrans-55.4138.5167.7-23.133.9000111.2
46W96.8Very high96.6Very high66 Ų6652 Ų5225%0.2528%0.279CS..  trans-112.8111.7177.6-168.250.7000110.3Y38 T40 K44 L48 P49 C314 M318Y38-W46 HydrophobicContact CD1-CB 3.76Å; Y38-W46 HydrophobicContact CD1-CE3 4Å; Y38-W46 HydrophobicContact CE1-CB 3.71Å; Y38-W46 AromaticContact CE1-CD2 3.95Å; Y38-W46 HydrophobicContact CE1-CD2 3.95Å; Y38-W46 AromaticContact CE1-CE3 3.5Å; Y38-W46 HydrophobicContact CE1-CE3 3.5Å; Y38-W46 HydrophobicContact CE1-CG 4.09Å; Y38-W46 HydrophobicContact CE1-CZ3 4.39Å; T40-W46 HydrophobicContact CG2-CB 3.72Å; T40-W46 HydrophobicContact CG2-CG 3.93Å; K44-W46 PolarHBondContact O-N 2.97Å; W46-L48 HydrophobicContact CE3-CD1 3.92Å; W46-L48 HydrophobicContact CE3-CG 4.19Å; W46-L48 HydrophobicContact CH2-CG 4.44Å; W46-L48 HydrophobicContact CZ3-CD1 4.13Å; W46-L48 HydrophobicContact CZ3-CG 3.93Å; W46-P49 HydrophobicContact CZ2-CG 4.2Å; W46-C314 HydrophobicContact CH2-CB 3.84Å; W46-C314 HydrophobicContact CZ3-CB 4.16Å; W46-M318 HydrophobicContact CE3-CG 3.81Å; W46-M318 HydrophobicContact CE3-SD 3.89Å; W46-M318 HydrophobicContact CZ3-CG 3.46Å; W46-M318 VanDerWaalsContact CZ3-CG 3.46Å; W46-M318 HydrophobicContact CZ3-SD 3.86Å
47V97.7Very high96.9Very high56 Ų5656.2 Ų56.234%0.33930%0.297SS..  trans-84.4121.6165.7-175.80000106.7V51 R52V47-V51 HydrophobicContact CG1-CB 4.31Å; V47-V51 HydrophobicContact CG1-CG1 4.03Å; V47-R52 HydrophobicContact CB-CG 4.28Å; V47-R52 HydrophobicContact CG1-CG 3.66Å
48L98.5Very high97Very high1 Ų156.7 Ų56.71%0.00530%0.298CS..  trans-59.1135.5-176.8-78.362.6000109.7W46 V50 V51 R52 C314 M318W46-L48 HydrophobicContact CE3-CD1 3.92Å; W46-L48 HydrophobicContact CE3-CG 4.19Å; W46-L48 HydrophobicContact CH2-CG 4.44Å; W46-L48 HydrophobicContact CZ3-CD1 4.13Å; W46-L48 HydrophobicContact CZ3-CG 3.93Å; L48-V50 VanDerWaalsContact C-N 3.3Å; L48-V50 HydrophobicContact CB-CG1 4.17Å; L48-V50 PolarHBondContact O-N 2.97Å; L48-V51 HydrophobicContact CB-CB 4.29Å; L48-V51 HydrophobicContact CB-CG2 3.99Å; L48-V51 WeakPolarHBondContact O-CA 3.34Å; L48-V51 WeakPolarHBondContact O-CB 3.21Å; L48-V51 PolarHBondContact O-N 3.2Å; L48-R52 PolarHBondContact O-N 3.37Å; L48-C314 HydrophobicContact CD2-CB 3.77Å; L48-C314 HydrophobicContact CG-CB 3.96Å; L48-M318 HydrophobicContact CD1-CE 4.41Å; L48-M318 HydrophobicContact CD1-SD 4.28Å; L48-M318 HydrophobicContact CD2-CE 4.21Å
49P98.2Very high97Very high57 Ų5760.5 Ų60.537%0.3733%0.332SS..Hα-helixtrans-51.3-46.5179.6-3035.6000113.4W46 V51 R52 T53W46-P49 HydrophobicContact CZ2-CG 4.2Å; P49-V51 PolarHBondContact O-N 3.04Å; P49-R52 WeakPolarHBondContact O-CB 2.85Å; P49-R52 PolarHBondContact O-N 3.41Å; P49-T53 PolarHBondContact O-N 3.25Å; P49-T53 PolarHBondContact O-OG1 3.01Å
50V98.7Very high97.1Very high0 Ų060.9 Ų60.90%035%0.348CS..Hα-helixtrans-58.2-33.9176.468.10000113.3L48 V54 I301 L307 E310 W311L48-V50 VanDerWaalsContact C-N 3.3Å; L48-V50 HydrophobicContact CB-CG1 4.17Å; L48-V50 PolarHBondContact O-N 2.97Å; V50-V54 WeakPolarHBondContact O-CG2 3.25Å; V50-V54 PolarHBondContact O-N 3.4Å; V50-V54 VanDerWaalsContact O-N 3.13Å; V50-I301 HydrophobicContact CB-CD1 4.45Å; V50-I301 HydrophobicContact CG1-CD1 4.03Å; V50-I301 HydrophobicContact CG2-CD1 3.85Å; V50-I301 HydrophobicContact CG2-CG1 3.96Å; V50-I301 HydrophobicContact CG2-CG2 4.29Å; V50-L307 HydrophobicContact CG2-CB 4.01Å; V50-L307 HydrophobicContact CG2-CD2 4.04Å; V50-E310 WeakPolarHBondContact CA-OE1 3.47Å; V50-E310 HydrophobicContact CB-CB 4.36Å; V50-E310 HydrophobicContact CB-CG 4.05Å; V50-E310 HydrophobicContact CG2-CB 4.26Å; V50-E310 HydrophobicContact CG2-CG 4.43Å; V50-E310 PolarHBondContact N-OE1 2.77Å; V50-W311 HydrophobicContact CG1-CB 3.95Å
51V98.7Very high97.2Very high2 Ų263.1 Ų63.11%0.01236%0.36CS..Hα-helixtrans-67.7-45.7175.4168.90000109.8V47 L48 P49 T53 V54 E55 F252 L254 I297 I301V47-V51 HydrophobicContact CG1-CB 4.31Å; V47-V51 HydrophobicContact CG1-CG1 4.03Å; L48-V51 HydrophobicContact CB-CB 4.29Å; L48-V51 HydrophobicContact CB-CG2 3.99Å; L48-V51 WeakPolarHBondContact O-CA 3.34Å; L48-V51 WeakPolarHBondContact O-CB 3.21Å; L48-V51 PolarHBondContact O-N 3.2Å; P49-V51 PolarHBondContact O-N 3.04Å; V51-T53 VanDerWaalsContact C-N 3.3Å; V51-T53 PolarHBondContact O-N 3.11Å; V51-V54 PolarHBondContact O-N 3.11Å; V51-V54 VanDerWaalsContact O-N 3.16Å; V51-E55 HydrophobicContact CG1-CG 4.27Å; V51-E55 WeakPolarHBondContact O-CG 3.28Å; V51-E55 PolarHBondContact O-N 2.84Å; V51-F252 HydrophobicContact CG2-CD1 4.33Å; V51-L254 HydrophobicContact CG1-CD2 3.93Å; V51-I297 HydrophobicContact CB-CG2 4.47Å; V51-I297 HydrophobicContact CG1-CD1 4.33Å; V51-I297 HydrophobicContact CG1-CG2 4.16Å; V51-I297 HydrophobicContact CG2-CG2 4.11Å; V51-I301 HydrophobicContact CG2-CD1 4.14Å
52R98.4Very high97.2Very high135 Ų13569.6 Ų69.651%0.50939%0.388SS..Hα-helixtrans-60.6-39.9176.7-62.5-170.6175.2-775.1112.4V47 L48 P49 V54 E55 S56V47-R52 HydrophobicContact CB-CG 4.28Å; V47-R52 HydrophobicContact CG1-CG 3.66Å; L48-R52 PolarHBondContact O-N 3.37Å; P49-R52 WeakPolarHBondContact O-CB 2.85Å; P49-R52 PolarHBondContact O-N 3.41Å; R52-V54 VanDerWaalsContact C-N 3.35Å; R52-E55 PolarHBondContact O-N 3.47Å; R52-S56 WeakPolarHBondContact O-CB 3.31Å; R52-S56 PolarHBondContact O-N 3.41Å; R52-S56 PolarHBondContact O-OG 3.42Å
53T98.4Very high97.2Very high61 Ų6170.4 Ų70.437%0.37440%0.396SS..Hα-helixtrans-57.4-50.6175.1-61.60000110.1P49 V51 S56 L57 L307P49-T53 PolarHBondContact O-N 3.25Å; P49-T53 PolarHBondContact O-OG1 3.01Å; V51-T53 VanDerWaalsContact C-N 3.3Å; V51-T53 PolarHBondContact O-N 3.11Å; T53-S56 PolarHBondContact O-N 3Å; T53-L57 HydrophobicContact CG2-CD1 4.36Å; T53-L57 WeakPolarHBondContact O-CG 3.45Å; T53-L57 PolarHBondContact O-N 2.86Å; T53-L57 VanDerWaalsContact O-N 3.07Å; T53-L307 HydrophobicContact CG2-CD2 4.48Å
54V98.6Very high97.3Very high1 Ų170.7 Ų70.71%0.00639%0.388CS..Hα-helixtrans-69.7-37.9-179.1175.60000112.6V50 V51 R52 S56 L57 M58 I297 T300 I301 L307V50-V54 WeakPolarHBondContact O-CG2 3.25Å; V50-V54 PolarHBondContact O-N 3.4Å; V50-V54 VanDerWaalsContact O-N 3.13Å; V51-V54 PolarHBondContact O-N 3.11Å; V51-V54 VanDerWaalsContact O-N 3.16Å; R52-V54 VanDerWaalsContact C-N 3.35Å; V54-S56 VanDerWaalsContact C-N 3.3Å; V54-S56 PolarHBondContact O-N 2.97Å; V54-L57 PolarHBondContact O-N 2.89Å; V54-M58 HydrophobicContact CG1-CG 4.29Å; V54-M58 HydrophobicContact CG1-SD 3.89Å; V54-M58 WeakPolarHBondContact O-CB 3.13Å; V54-M58 VanDerWaalsContact O-CG 3.28Å; V54-M58 WeakPolarHBondContact O-CG 3.39Å; V54-M58 PolarHBondContact O-N 2.8Å; V54-I297 HydrophobicContact CG1-CB 4.38Å; V54-I297 HydrophobicContact CG1-CG1 4.26Å; V54-I297 HydrophobicContact CG1-CG2 4.38Å; V54-T300 HydrophobicContact CG1-CG2 3.9Å; V54-T300 HydrophobicContact CG2-CG2 3.98Å; V54-I301 HydrophobicContact CG2-CD1 4.15Å; V54-I301 HydrophobicContact CG2-CG1 3.68Å; V54-L307 HydrophobicContact CG2-CD1 3.79Å
55E98.4Very high97.3Very high58 Ų5867.9 Ų67.927%0.27138%0.38SS..Hα-helixtrans-59.1-42.8173.1-75.3179.4138.500111.7V51 R52 M58 A59 H293 I297V51-E55 HydrophobicContact CG1-CG 4.27Å; V51-E55 WeakPolarHBondContact O-CG 3.28Å; V51-E55 PolarHBondContact O-N 2.84Å; R52-E55 PolarHBondContact O-N 3.47Å; E55-M58 PolarHBondContact O-N 2.88Å; E55-A59 WeakPolarHBondContact O-CB 3.49Å; E55-A59 PolarHBondContact O-N 3.45Å; E55-H293 IonicContact OE1-NE2 3.9Å; E55-I297 HydrophobicContact CG-CD1 3.65Å; E55-I297 HydrophobicContact CG-CG1 4.39Å
56S98.3Very high97.3Very high80 Ų8071.2 Ų71.256%0.55939%0.385SS*.Hα-helixtrans-65.1-41.7178.2-56.80000111.7R52 T53 V54 A59 A60R52-S56 WeakPolarHBondContact O-CB 3.31Å; R52-S56 PolarHBondContact O-N 3.41Å; R52-S56 PolarHBondContact O-OG 3.42Å; T53-S56 PolarHBondContact O-N 3Å; V54-S56 VanDerWaalsContact C-N 3.3Å; V54-S56 PolarHBondContact O-N 2.97Å; S56-A59 PolarHBondContact O-N 3.13Å; S56-A60 WeakPolarHBondContact O-CB 3.48Å; S56-A60 PolarHBondContact O-N 2.67Å; S56-A60 VanDerWaalsContact O-N 3.12Å
57L97.8Very high97.3Very high107 Ų10774.3 Ų74.356%0.5640%0.402SS*.Hα-helixtrans-62.6-44.1174.2-68.6171.5000111.6T53 V54 A59 A60 D61T53-L57 HydrophobicContact CG2-CD1 4.36Å; T53-L57 WeakPolarHBondContact O-CG 3.45Å; T53-L57 PolarHBondContact O-N 2.86Å; T53-L57 VanDerWaalsContact O-N 3.07Å; V54-L57 PolarHBondContact O-N 2.89Å; L57-A59 VanDerWaalsContact C-N 3.34Å; L57-A59 PolarHBondContact O-N 3.19Å; L57-A60 PolarHBondContact O-N 3.43Å; L57-D61 PolarHBondContact O-N 3.23Å
58M97.8Very high97.3Very high19 Ų1980.8 Ų80.89%0.09442%0.421CS..Hα-helixtrans-63.8-38.6177.3-75.1172.155.300112.2V54 E55 A60 D61 L64 R296 I297V54-M58 HydrophobicContact CG1-CG 4.29Å; V54-M58 HydrophobicContact CG1-SD 3.89Å; V54-M58 WeakPolarHBondContact O-CB 3.13Å; V54-M58 VanDerWaalsContact O-CG 3.28Å; V54-M58 WeakPolarHBondContact O-CG 3.39Å; V54-M58 PolarHBondContact O-N 2.8Å; E55-M58 PolarHBondContact O-N 2.88Å; M58-A60 VanDerWaalsContact C-N 3.3Å; M58-A60 PolarHBondContact O-N 3.43Å; M58-D61 PolarHBondContact O-N 3.4Å; M58-L64 HydrophobicContact CB-CD2 3.75Å; M58-L64 HydrophobicContact CE-CD2 4.22Å; M58-L64 HydrophobicContact CG-CD2 4.1Å; M58-L64 VanDerWaalsContact O-CD2 3.3Å; M58-L64 WeakPolarHBondContact O-CD2 3.48Å; M58-R296 HydrophobicContact CE-CB 3.77Å; M58-R296 HydrophobicContact SD-CB 3.98Å; M58-I297 HydrophobicContact CE-CG1 4.31Å; M58-I297 HydrophobicContact SD-CG1 3.64Å
59A97.4Very high97.3Very high91 Ų9181.9 Ų81.975%0.75243%0.427SS*.Hα-helixtrans-68.6-29.8177.900000112.8E55 S56 L57E55-A59 WeakPolarHBondContact O-CB 3.49Å; E55-A59 PolarHBondContact O-N 3.45Å; S56-A59 PolarHBondContact O-N 3.13Å; L57-A59 VanDerWaalsContact C-N 3.34Å; L57-A59 PolarHBondContact O-N 3.19Å
60A97.7Very high97.3Very high71 Ų7183 Ų8359%0.58744%0.435SS*.Hα-helixtrans-83.8-13.5178.600000114S56 L57 M58 H62S56-A60 WeakPolarHBondContact O-CB 3.48Å; S56-A60 PolarHBondContact O-N 2.67Å; S56-A60 VanDerWaalsContact O-N 3.12Å; L57-A60 PolarHBondContact O-N 3.43Å; M58-A60 VanDerWaalsContact C-N 3.3Å; M58-A60 PolarHBondContact O-N 3.43Å; A60-H62 PolarHBondContact O-N 3.34Å
61D97.2Very high97.3Very high70 Ų7084.8 Ų84.837%0.37445%0.445SS..  trans-83.7102.8-178-1763.6000111.9L57 M58 N63 L64L57-D61 PolarHBondContact O-N 3.23Å; M58-D61 PolarHBondContact O-N 3.4Å; D61-N63 PolarHBondContact O-N 2.96Å; D61-N63 WeakPolarHBondContact OD1-CB 3.27Å; D61-N63 PolarHBondContact OD1-N 2.98Å; D61-N63 PolarHBondContact OD1-ND2 2.96Å; D61-L64 HydrophobicContact CB-CB 4.07Å; D61-L64 WeakPolarHBondContact O-CB 3.5Å; D61-L64 PolarHBondContact O-N 2.99Å; D61-L64 VanDerWaalsContact O-N 3.1Å
62H95.5Very high97.2Very high187 Ų18785.7 Ų85.787%0.86645%0.452SS*.THydrogen-bonded Turntrans-66.2-15.8178-67.6-65.7000114.6A60 L64A60-H62 PolarHBondContact O-N 3.34Å; H62-L64 VanDerWaalsContact C-N 3.28Å
63N95.4Very high97.2Very high145 Ų14579.4 Ų79.478%0.77543%0.429SS*.THydrogen-bonded Turntrans-85.7-6.1175.8-55.1-61.9000112.1D61 D65D61-N63 PolarHBondContact O-N 2.96Å; D61-N63 WeakPolarHBondContact OD1-CB 3.27Å; D61-N63 PolarHBondContact OD1-N 2.98Å; D61-N63 PolarHBondContact OD1-ND2 2.96Å; N63-D65 PolarHBondContact O-N 2.76Å; N63-D65 VanDerWaalsContact O-N 3.14Å
64L93.9Very high97.2Very high43 Ų4377.6 Ų77.623%0.22542%0.417CS..  trans-79.997.6-175.3-162.172.8000111.4M58 D61 H62M58-L64 HydrophobicContact CB-CD2 3.75Å; M58-L64 HydrophobicContact CE-CD2 4.22Å; M58-L64 HydrophobicContact CG-CD2 4.1Å; M58-L64 VanDerWaalsContact O-CD2 3.3Å; M58-L64 WeakPolarHBondContact O-CD2 3.48Å; D61-L64 HydrophobicContact CB-CB 4.07Å; D61-L64 WeakPolarHBondContact O-CB 3.5Å; D61-L64 PolarHBondContact O-N 2.99Å; D61-L64 VanDerWaalsContact O-N 3.1Å; H62-L64 VanDerWaalsContact C-N 3.28Å
65D93.5Very high97.2Very high77 Ų7781.2 Ų81.241%0.41244%0.436SS..  trans-78.7177.9175.966.246.4000113.8N63 E67 Q292 R296N63-D65 PolarHBondContact O-N 2.76Å; N63-D65 VanDerWaalsContact O-N 3.14Å; D65-E67 HydrophobicContact CB-CG 4.15Å; D65-E67 PolarHBondContact OD1-N 3.41Å; D65-E67 VanDerWaalsContact OD1-N 3.1Å; D65-Q292 PolarHBondContact O-OE1 3.23Å; D65-R296 PolarHBondContact O-NH1 2.91Å; D65-R296 IonicContact OD1-NH2 3.47Å
66K95.7Very high97.2Very high169 Ų16982 Ų8274%0.73544%0.444SS*.  trans-119.130.7173-56.1-132.6-173.4-63.10112.1
67E97.1Very high97.2Very high130 Ų13078.1 Ų78.161%0.60742%0.418SS*.PPolyproline II helixtrans-68.2159-179.5-70.1-57.8130.200112D65 L69D65-E67 HydrophobicContact CB-CG 4.15Å; D65-E67 PolarHBondContact OD1-N 3.41Å; D65-E67 VanDerWaalsContact OD1-N 3.1Å; E67-L69 PolarHBondContact O-N 3.34Å
68Y98Very high97.3Very high192 Ų19273.3 Ų73.375%0.75339%0.393SS*.PPolyproline II helixtrans-60.4133.9176.6-71.5-61.5000111.6N289Y68-N289 WeakPolarHBondContact CD1-ND2 3.19Å; Y68-N289 WeakPolarHBondContact CD1-OD1 3.07Å
69L98Very high97.3Very high24 Ų2477.8 Ų77.813%0.12641%0.412CS..PPolyproline II helixtrans-73.4159170.9-69.6-177.2000111.8E67 I74 N289 Q292E67-L69 PolarHBondContact O-N 3.34Å; L69-I74 HydrophobicContact CD1-CD1 4.12Å; L69-I74 HydrophobicContact CD1-CG1 3.57Å; L69-I74 HydrophobicContact CD2-CD1 4.35Å; L69-I74 HydrophobicContact CD2-CG1 3.79Å; L69-I74 HydrophobicContact CG-CG1 4.34Å; L69-N289 WeakPolarHBondContact O-CB 3.33Å; L69-Q292 HydrophobicContact CD1-CB 3.9Å; L69-Q292 HydrophobicContact CD1-CG 4.17Å; L69-Q292 HydrophobicContact CD2-CG 4.06Å; L69-Q292 HydrophobicContact CG-CB 4.13Å; L69-Q292 HydrophobicContact CG-CG 4.2Å
70P98.2Very high97.3Very high82 Ų8273.9 Ų73.953%0.53238%0.379SS..PPolyproline II helixtrans-50.9148.9160.2-24.134.3000110.9S72 G73P70-S72 PolarHBondContact O-N 2.94Å; P70-S72 VanDerWaalsContact O-N 3.11Å; P70-G73 WeakPolarHBondContact O-CA 3.22Å; P70-G73 PolarHBondContact O-N 3.38Å
71V98.5Very high97.4Very high36 Ų3670.5 Ų70.522%0.21835%0.351CS..THydrogen-bonded Turntrans-55-34179.8176.40000112.5G73 K280 I283 R284V71-G73 VanDerWaalsContact C-N 3.26Å; V71-G73 PolarHBondContact O-N 2.9Å; V71-K280 HydrophobicContact CG1-CB 3.96Å; V71-K280 HydrophobicContact CG1-CG 4.27Å; V71-K280 WeakPolarHBondContact CG1-O 3.32Å; V71-I283 HydrophobicContact CG1-CB 3.93Å; V71-I283 HydrophobicContact CG1-CG2 3.74Å; V71-I283 WeakPolarHBondContact O-CG2 3.26Å; V71-R284 HydrophobicContact CG1-CB 4.14Å
72S98.3Very high97.4Very high22 Ų2267.4 Ų67.415%0.15434%0.335CS..THydrogen-bonded Turntrans-76.9-7175.9500000114.5P70 Q102P70-S72 PolarHBondContact O-N 2.94Å; P70-S72 VanDerWaalsContact O-N 3.11Å; S72-Q102 PolarHBondContact O-N 3.03Å
73G98.5Very high97.6Very high2 Ų261.8 Ų61.82%0.02131%0.308CS..  trans85.1-160-175.100000114.9P70 V71 D75P70-G73 WeakPolarHBondContact O-CA 3.22Å; P70-G73 PolarHBondContact O-N 3.38Å; V71-G73 VanDerWaalsContact C-N 3.26Å; V71-G73 PolarHBondContact O-N 2.9Å; G73-D75 PolarHBondContact O-N 3.17Å
74I98.2Very high97.7Very high24 Ų2455.8 Ų55.812%0.12328%0.276CS..  trans-77113.7-178.8-55.4-177.3000109.7L69 T76 M77 C78 Q102 Q292 A295 R296 A299L69-I74 HydrophobicContact CD1-CD1 4.12Å; L69-I74 HydrophobicContact CD1-CG1 3.57Å; L69-I74 HydrophobicContact CD2-CD1 4.35Å; L69-I74 HydrophobicContact CD2-CG1 3.79Å; L69-I74 HydrophobicContact CG-CG1 4.34Å; I74-T76 WeakPolarHBondContact CG2-OG1 3.2Å; I74-T76 PolarHBondContact O-N 3.01Å; I74-M77 HydrophobicContact CB-CB 3.9Å; I74-M77 HydrophobicContact CG2-CB 4.07Å; I74-M77 WeakPolarHBondContact O-CB 3.47Å; I74-M77 PolarHBondContact O-N 2.87Å; I74-M77 VanDerWaalsContact O-N 3.13Å; I74-C78 PolarHBondContact O-N 3Å; I74-C78 PolarHBondContact O-SG 3.18Å; I74-Q102 VanDerWaalsContact N-OE1 3.07Å; I74-Q292 HydrophobicContact CD1-CG 4.46Å; I74-A295 HydrophobicContact CD1-CB 3.76Å; I74-A295 HydrophobicContact CG1-CB 4.32Å; I74-R296 HydrophobicContact CD1-CB 4.46Å; I74-R296 HydrophobicContact CD1-CG 3.6Å; I74-A299 HydrophobicContact CG2-CB 4.48Å
75D98Very high97.9Very high77 Ų7753.7 Ų53.741%0.41227%0.265SS..Hα-helixtrans-59.1-43.1-176.3178.374.2000113.1G73 M77 C78 K79G73-D75 PolarHBondContact O-N 3.17Å; D75-M77 VanDerWaalsContact C-N 3.29Å; D75-M77 PolarHBondContact O-N 2.88Å; D75-C78 PolarHBondContact O-N 2.6Å; D75-K79 WeakPolarHBondContact O-CB 3.32Å; D75-K79 WeakPolarHBondContact O-CG 3.38Å; D75-K79 PolarHBondContact O-N 2.9Å; D75-K79 VanDerWaalsContact OD1-CE 3.31Å; D75-K79 WeakPolarHBondContact OD1-CE 3.42Å; D75-K79 IonicContact OD1-NZ 3.98Å; D75-K79 WeakPolarHBondContact OD2-CD 3.4Å; D75-K79 WeakPolarHBondContact OD2-CE 3.5Å; D75-K79 IonicContact OD2-NZ 3.52Å; D75-K79 PolarHBondContact OD2-NZ 3.15Å
76T98.1Very high98.2Very high73 Ų7350.6 Ų50.645%0.44825%0.248SC..Hα-helixtrans-65.4-31.3177.952.90000112.9I74 A80 N303I74-T76 WeakPolarHBondContact CG2-OG1 3.2Å; I74-T76 PolarHBondContact O-N 3.01Å; T76-A80 WeakPolarHBondContact O-CB 3.45Å; T76-A80 PolarHBondContact O-N 3.04Å; T76-N303 PolarHBondContact O-ND2 3.29Å; T76-N303 VanDerWaalsContact O-ND2 3.12Å
77M98.6Very high98.2Very high0 Ų043.2 Ų43.20%022%0.22CC..Hα-helixtrans-68.7-52.8172.4-167.5-81.1-69.400110.2I74 D75 K79 A80 A81 Q102 F248 A295 V298 A299I74-M77 HydrophobicContact CB-CB 3.9Å; I74-M77 HydrophobicContact CG2-CB 4.07Å; I74-M77 WeakPolarHBondContact O-CB 3.47Å; I74-M77 PolarHBondContact O-N 2.87Å; I74-M77 VanDerWaalsContact O-N 3.13Å; D75-M77 VanDerWaalsContact C-N 3.29Å; D75-M77 PolarHBondContact O-N 2.88Å; M77-K79 VanDerWaalsContact C-N 3.32Å; M77-K79 PolarHBondContact O-N 3.35Å; M77-A80 PolarHBondContact O-N 2.95Å; M77-A81 WeakPolarHBondContact O-CB 3.32Å; M77-A81 PolarHBondContact O-N 3.03Å; M77-A81 HydrophobicContact SD-CB 3.99Å; M77-Q102 HydrophobicContact CE-CB 3.53Å; M77-Q102 HydrophobicContact CE-CG 3.35Å; M77-F248 HydrophobicContact SD-CE2 4.23Å; M77-A295 HydrophobicContact CE-CB 4.3Å; M77-A295 HydrophobicContact CG-CB 4.41Å; M77-A295 WeakPolarHBondContact CG-O 3.24Å; M77-V298 HydrophobicContact CG-CB 4.15Å; M77-V298 HydrophobicContact CG-CG1 3.99Å; M77-V298 HydrophobicContact SD-CG1 4.31Å; M77-A299 HydrophobicContact CB-CB 3.85Å; M77-A299 HydrophobicContact CG-CB 4.31Å
78C98.7Very high97.9Very high5 Ų542.8 Ų42.83%0.03422%0.218CC..Hα-helixtrans-57.9-43.8-177.4-62.50000111.6I74 D75 T82 S100 Q102I74-C78 PolarHBondContact O-N 3Å; I74-C78 PolarHBondContact O-SG 3.18Å; D75-C78 PolarHBondContact O-N 2.6Å; C78-T82 WeakPolarHBondContact O-CB 3.26Å; C78-T82 PolarHBondContact O-N 2.82Å; C78-T82 PolarHBondContact O-OG1 2.95Å; C78-S100 WeakPolarHBondContact CB-OG 3.4Å; C78-S100 PolarHBondContact O-OG 3.13Å; C78-Q102 PolarHBondContact SG-N 3.24Å; C78-Q102 VanDerWaalsContact SG-N 3.42Å
79K97.9Very high97.6Very high114 Ų11441 Ų4150%0.49622%0.221SC..Hα-helixtrans-62.4-50176.7-74.8173.1176.8166.20112.3D75 M77 T82 K83D75-K79 WeakPolarHBondContact O-CB 3.32Å; D75-K79 WeakPolarHBondContact O-CG 3.38Å; D75-K79 PolarHBondContact O-N 2.9Å; D75-K79 VanDerWaalsContact OD1-CE 3.31Å; D75-K79 WeakPolarHBondContact OD1-CE 3.42Å; D75-K79 IonicContact OD1-NZ 3.98Å; D75-K79 WeakPolarHBondContact OD2-CD 3.4Å; D75-K79 WeakPolarHBondContact OD2-CE 3.5Å; D75-K79 IonicContact OD2-NZ 3.52Å; D75-K79 PolarHBondContact OD2-NZ 3.15Å; M77-K79 VanDerWaalsContact C-N 3.32Å; M77-K79 PolarHBondContact O-N 3.35Å; K79-T82 PolarHBondContact O-N 3.32Å; K79-K83 WeakPolarHBondContact O-CG 3.34Å; K79-K83 PolarHBondContact O-N 3.17Å
80A98.4Very high97.4Very high8 Ų841 Ų417%0.06622%0.223CC..Hα-helixtrans-66-39.9-179.800000112.1T76 M77 T82 K83 L84 L302T76-A80 WeakPolarHBondContact O-CB 3.45Å; T76-A80 PolarHBondContact O-N 3.04Å; M77-A80 PolarHBondContact O-N 2.95Å; A80-T82 PolarHBondContact O-N 3.4Å; A80-K83 PolarHBondContact O-N 3Å; A80-L84 WeakPolarHBondContact O-CB 3.37Å; A80-L84 PolarHBondContact O-N 3.44Å; A80-L302 HydrophobicContact CB-CB 3.68Å; A80-L302 HydrophobicContact CB-CD1 4.15Å
81A98.7Very high97.3Very high0 Ų045.6 Ų45.60%024%0.235CC..Hα-helixtrans-61.1-41.6174.300000112.2M77 L84 V85 Q246 F248 N261M77-A81 WeakPolarHBondContact O-CB 3.32Å; M77-A81 PolarHBondContact O-N 3.03Å; M77-A81 HydrophobicContact SD-CB 3.99Å; A81-L84 WeakPolarHBondContact O-CB 3.49Å; A81-L84 PolarHBondContact O-N 3.48Å; A81-V85 PolarHBondContact O-N 3.4Å; A81-Q246 PolarHBondContact O-NE2 3.45Å; A81-Q246 VanDerWaalsContact O-NE2 3.12Å; A81-Q246 PolarHBondContact O-OE1 2.8Å; A81-F248 HydrophobicContact CB-CE2 3.91Å; A81-F248 HydrophobicContact CB-CZ 3.61Å; A81-N261 HydrophobicContact CB-CB 4.2Å
82T98.7Very high97.3Very high6 Ų645.2 Ų45.24%0.03723%0.232CC..Hα-helixtrans-66.7-43.9176.5-53.90000111.7C78 K79 A80 L84 V85 L86 I93 S100 I263C78-T82 WeakPolarHBondContact O-CB 3.26Å; C78-T82 PolarHBondContact O-N 2.82Å; C78-T82 PolarHBondContact O-OG1 2.95Å; K79-T82 PolarHBondContact O-N 3.32Å; A80-T82 PolarHBondContact O-N 3.4Å; T82-L84 VanDerWaalsContact C-N 3.31Å; T82-L84 PolarHBondContact O-N 3.31Å; T82-V85 PolarHBondContact O-N 3.31Å; T82-L86 HydrophobicContact CG2-CD1 3.79Å; T82-L86 HydrophobicContact CG2-CG 4.3Å; T82-L86 PolarHBondContact O-N 3.47Å; T82-I93 HydrophobicContact CG2-CD1 3.97Å; T82-I93 HydrophobicContact CG2-CG1 4.14Å; T82-S100 WeakPolarHBondContact OG1-CB 3.47Å; T82-S100 PolarHBondContact OG1-OG 3.43Å; T82-I263 HydrophobicContact CG2-CD1 4.33Å; T82-I263 HydrophobicContact CG2-CG1 4.38Å; T82-I263 HydrophobicContact CG2-CG2 3.95Å
83K98.3Very high97.2Very high69 Ų6946.4 Ų46.430%0.324%0.235SC..Hα-helixtrans-60.4-39.4174.6-73.7172.5165.9-159.70112.2K79 A80 V85 L86 G87 E88 I93K79-K83 WeakPolarHBondContact O-CG 3.34Å; K79-K83 PolarHBondContact O-N 3.17Å; A80-K83 PolarHBondContact O-N 3Å; K83-V85 VanDerWaalsContact C-N 3.26Å; K83-V85 PolarHBondContact O-N 2.94Å; K83-L86 PolarHBondContact O-N 2.88Å; K83-G87 CarbonylContact O-C 3.32Å; K83-G87 VanDerWaalsContact O-CA 3.23Å; K83-G87 WeakPolarHBondContact O-CA 3.45Å; K83-G87 PolarHBondContact O-N 3.29Å; K83-E88 WeakPolarHBondContact CE-OE1 3.38Å; K83-E88 IonicContact NZ-OE1 2.87Å; K83-E88 PolarHBondContact NZ-OE1 3.01Å; K83-I93 HydrophobicContact CG-CD1 3.82Å
84L98.3Very high97Very high18 Ų1850.5 Ų50.59%0.09427%0.269CS..Hα-helixtrans-58.3-37.9176.6179.664.5000112.3A80 A81 T82 Q218 L225 R233 F248 L302 F308 W311A80-L84 WeakPolarHBondContact O-CB 3.37Å; A80-L84 PolarHBondContact O-N 3.44Å; A81-L84 WeakPolarHBondContact O-CB 3.49Å; A81-L84 PolarHBondContact O-N 3.48Å; T82-L84 VanDerWaalsContact C-N 3.31Å; T82-L84 PolarHBondContact O-N 3.31Å; L84-Q218 PolarHBondContact O-NE2 3.43Å; L84-L225 HydrophobicContact CD1-CB 4.4Å; L84-L225 HydrophobicContact CD1-CD1 3.99Å; L84-R233 PolarHBondContact O-NH2 3.06Å; L84-F248 HydrophobicContact CD2-CE1 4.03Å; L84-L302 HydrophobicContact CD2-CD1 4.4Å; L84-L302 HydrophobicContact CD2-CD2 4.3Å; L84-F308 HydrophobicContact CD1-CE2 4.23Å; L84-F308 HydrophobicContact CD1-CZ 4.29Å; L84-W311 HydrophobicContact CD1-CH2 4.26Å; L84-W311 HydrophobicContact CD1-CZ3 4.27Å; L84-W311 HydrophobicContact CD2-CH2 4.01Å
85V98.6Very high96.9Very high0 Ų051.7 Ų51.70%028%0.28CS..Hα-helixtrans-78.5-51.2176.5-179.60000111.3A81 T82 K83 M215 A229 V232 R233 V244 Q246 I263A81-V85 PolarHBondContact O-N 3.4Å; T82-V85 PolarHBondContact O-N 3.31Å; K83-V85 VanDerWaalsContact C-N 3.26Å; K83-V85 PolarHBondContact O-N 2.94Å; V85-M215 HydrophobicContact CB-SD 4.35Å; V85-M215 HydrophobicContact CG1-SD 3.87Å; V85-M215 HydrophobicContact CG2-SD 3.71Å; V85-A229 WeakPolarHBondContact O-CB 3.46Å; V85-V232 HydrophobicContact CG1-CB 4.15Å; V85-V232 HydrophobicContact CG1-CG1 3.68Å; V85-V232 HydrophobicContact CG1-CG2 4.39Å; V85-R233 PolarHBondContact O-NE 3.23Å; V85-R233 PolarHBondContact O-NH2 2.89Å; V85-V244 HydrophobicContact CG1-CG1 4.26Å; V85-Q246 HydrophobicContact CG2-CG 4.2Å; V85-I263 HydrophobicContact CB-CD1 3.77Å; V85-I263 HydrophobicContact CG1-CD1 4.2Å; V85-I263 HydrophobicContact CG2-CD1 3.61Å
86L98.4Very high96.9Very high12 Ų1255.3 Ų55.36%0.06329%0.292CS..Hα-helixtrans-89.3-12.1-167.5-56.9-176.1000114.5T82 K83 C90 I93 A98 V232 I263 I265T82-L86 HydrophobicContact CG2-CD1 3.79Å; T82-L86 HydrophobicContact CG2-CG 4.3Å; T82-L86 PolarHBondContact O-N 3.47Å; K83-L86 PolarHBondContact O-N 2.88Å; L86-C90 HydrophobicContact CB-CB 3.83Å; L86-C90 WeakPolarHBondContact O-CB 3.34Å; L86-I93 HydrophobicContact CB-CD1 4.31Å; L86-I93 HydrophobicContact CD1-CD1 4.43Å; L86-I93 HydrophobicContact CD1-CG1 4.17Å; L86-A98 HydrophobicContact CD1-CB 3.71Å; L86-V232 HydrophobicContact CD2-CG1 3.99Å; L86-I263 HydrophobicContact CD1-CG2 4.38Å; L86-I265 HydrophobicContact CD1-CD1 4.16Å; L86-I265 HydrophobicContact CD1-CG1 4.42Å; L86-I265 HydrophobicContact CD2-CD1 3.8Å
87G97Very high96.9Very high13 Ų1355.2 Ų55.213%0.13429%0.285CS..  trans94148.2-171.300000112.3K83 D89 C90K83-G87 CarbonylContact O-C 3.32Å; K83-G87 VanDerWaalsContact O-CA 3.23Å; K83-G87 WeakPolarHBondContact O-CA 3.45Å; K83-G87 PolarHBondContact O-N 3.29Å; G87-D89 VanDerWaalsContact C-N 3.32Å; G87-D89 PolarHBondContact O-N 2.77Å; G87-C90 VanDerWaalsContact O-CB 3.32Å; G87-C90 WeakPolarHBondContact O-CB 3.49Å; G87-C90 PolarHBondContact O-N 2.9Å
88E91.3Very high96.9Very high121 Ų12155.5 Ų55.557%0.56529%0.288SS*.THydrogen-bonded Turntrans-56.7-43.9-176.8-170.462.4-149.700112.2K83 C90K83-E88 WeakPolarHBondContact CE-OE1 3.38Å; K83-E88 IonicContact NZ-OE1 2.87Å; K83-E88 PolarHBondContact NZ-OE1 3.01Å; E88-C90 VanDerWaalsContact C-N 3.33Å; E88-C90 PolarHBondContact O-N 3.37Å
89D90.3Very high96.9Very high155 Ų15557.6 Ų57.683%0.82930%0.299SS*.THydrogen-bonded Turntrans-94.524-176.5-59-50.1000113.3G87 K91G87-D89 VanDerWaalsContact C-N 3.32Å; G87-D89 PolarHBondContact O-N 2.77Å; D89-K91 PolarHBondContact O-N 3.49Å; D89-K91 VanDerWaalsContact O-N 3.11Å
90C93.9Very high97Very high24 Ų2452.2 Ų52.216%0.16228%0.276CS..  trans-65.3115.7-177.7-172.50000111.6L86 G87 E88 L92 I93 A94L86-C90 HydrophobicContact CB-CB 3.83Å; L86-C90 WeakPolarHBondContact O-CB 3.34Å; G87-C90 VanDerWaalsContact O-CB 3.32Å; G87-C90 WeakPolarHBondContact O-CB 3.49Å; G87-C90 PolarHBondContact O-N 2.9Å; E88-C90 VanDerWaalsContact C-N 3.33Å; E88-C90 PolarHBondContact O-N 3.37Å; C90-L92 PolarHBondContact O-N 3.48Å; C90-L92 VanDerWaalsContact O-N 3.12Å; C90-I93 HydrophobicContact CB-CD1 4.01Å; C90-I93 HydrophobicContact CB-CG1 4.11Å; C90-I93 PolarHBondContact O-N 3.28Å; C90-A94 PolarHBondContact O-N 3.32Å
91K96.3Very high97Very high179 Ų17951.9 Ų51.978%0.77827%0.272SS*.Hα-helixtrans-57.2-28.2178.5-66.6-178.1-179.11770113.4D89 I93 A94 S95D89-K91 PolarHBondContact O-N 3.49Å; D89-K91 VanDerWaalsContact O-N 3.11Å; K91-I93 VanDerWaalsContact C-N 3.32Å; K91-I93 PolarHBondContact O-N 3.09Å; K91-A94 PolarHBondContact O-N 3.08Å; K91-S95 VanDerWaalsContact O-CB 3.26Å; K91-S95 WeakPolarHBondContact O-CB 3.47Å; K91-S95 PolarHBondContact O-N 3.28Å; K91-S95 PolarHBondContact O-OG 3.05Å
92L97.7Very high97Very high28 Ų2851.9 Ų51.915%0.14727%0.272CS..Hα-helixtrans-65.9-36.1178.3-61.5172.3000111.7C90 S95 K96 K97 A98 A236 I265C90-L92 PolarHBondContact O-N 3.48Å; C90-L92 VanDerWaalsContact O-N 3.12Å; L92-S95 PolarHBondContact O-OG 3.4Å; L92-K96 PolarHBondContact O-N 3.48Å; L92-K97 HydrophobicContact CB-CB 4.38Å; L92-K97 HydrophobicContact CD2-CB 4Å; L92-K97 HydrophobicContact CD2-CD 4.18Å; L92-K97 PolarHBondContact O-N 3.05Å; L92-A98 HydrophobicContact CB-CB 3.86Å; L92-A98 PolarHBondContact O-N 3.3Å; L92-A236 HydrophobicContact CD1-CB 3.8Å; L92-I265 HydrophobicContact CD1-CD1 4.22Å; L92-I265 HydrophobicContact CD1-CG2 3.85Å
93I96.4Very high97Very high46 Ų4651.6 Ų51.624%0.23627%0.271CS..Hα-helixtrans-69.3-50.7175.2-57.6175000109.4T82 K83 L86 C90 K91 S95 K96 A98T82-I93 HydrophobicContact CG2-CD1 3.97Å; T82-I93 HydrophobicContact CG2-CG1 4.14Å; K83-I93 HydrophobicContact CG-CD1 3.82Å; L86-I93 HydrophobicContact CB-CD1 4.31Å; L86-I93 HydrophobicContact CD1-CD1 4.43Å; L86-I93 HydrophobicContact CD1-CG1 4.17Å; C90-I93 HydrophobicContact CB-CD1 4.01Å; C90-I93 HydrophobicContact CB-CG1 4.11Å; C90-I93 PolarHBondContact O-N 3.28Å; K91-I93 VanDerWaalsContact C-N 3.32Å; K91-I93 PolarHBondContact O-N 3.09Å; I93-S95 VanDerWaalsContact C-N 3.28Å; I93-S95 PolarHBondContact O-N 2.87Å; I93-K96 PolarHBondContact O-N 3.47Å; I93-A98 HydrophobicContact CG1-CB 4.34Å
94A95.1Very high97Very high89 Ų8950.7 Ų50.774%0.73627%0.269SS*.Hα-helixtrans-60.5-38.1-17900000112.6C90 K91 K96C90-A94 PolarHBondContact O-N 3.32Å; K91-A94 PolarHBondContact O-N 3.08Å; A94-K96 VanDerWaalsContact C-N 3.28Å; A94-K96 PolarHBondContact O-N 3.21Å
95S97.1Very high97Very high49 Ų4949.9 Ų49.934%0.34327%0.265SS..THydrogen-bonded Turntrans-83.23.9176.562.10000114.1K91 L92 I93 K97 P269K91-S95 VanDerWaalsContact O-CB 3.26Å; K91-S95 WeakPolarHBondContact O-CB 3.47Å; K91-S95 PolarHBondContact O-N 3.28Å; K91-S95 PolarHBondContact O-OG 3.05Å; L92-S95 PolarHBondContact O-OG 3.4Å; I93-S95 VanDerWaalsContact C-N 3.28Å; I93-S95 PolarHBondContact O-N 2.87Å; S95-K97 PolarHBondContact O-N 3.2Å; S95-P269 WeakPolarHBondContact O-CG 3.24Å
96K97.8Very high97Very high152 Ų15250.1 Ų50.166%0.66127%0.268SS*.THydrogen-bonded Turntrans5926.9-178.4-56.6177.4179.8177.60114.5L92 I93 A94 P269 T272L92-K96 PolarHBondContact O-N 3.48Å; I93-K96 PolarHBondContact O-N 3.47Å; A94-K96 VanDerWaalsContact C-N 3.28Å; A94-K96 PolarHBondContact O-N 3.21Å; K96-P269 HydrophobicContact CB-CB 4.01Å; K96-P269 HydrophobicContact CB-CG 4.35Å; K96-P269 WeakPolarHBondContact O-CA 3.11Å; K96-T272 WeakPolarHBondContact O-CB 3.36Å; K96-T272 PolarHBondContact O-OG1 3.17Å
97K98.4Very high97.1Very high71 Ų7152 Ų5231%0.30928%0.28SS..SBendtrans-89.7-10.6172.6-67.1-171.8-177-1570113.2L92 S95 I265 T266 N267 T272L92-K97 HydrophobicContact CB-CB 4.38Å; L92-K97 HydrophobicContact CD2-CB 4Å; L92-K97 HydrophobicContact CD2-CD 4.18Å; L92-K97 PolarHBondContact O-N 3.05Å; S95-K97 PolarHBondContact O-N 3.2Å; K97-I265 WeakPolarHBondContact O-CA 3.26Å; K97-T266 WeakPolarHBondContact CB-O 3.41Å; K97-T266 PolarHBondContact O-N 3.3Å; K97-N267 VanDerWaalsContact CD-O 3.31Å; K97-N267 WeakPolarHBondContact CD-O 3.33Å; K97-N267 WeakPolarHBondContact CE-O 3.48Å; K97-N267 PolarHBondContact NZ-O 2.77Å; K97-T272 WeakPolarHBondContact CA-OG1 3.31Å
98A98.6Very high97.1Very high7 Ų751.7 Ų51.76%0.05828%0.276CS..EExtended strand (participates in β ladder)trans-125.6132.3171.900000109.4L86 L92 I93 F264 I265L86-A98 HydrophobicContact CD1-CB 3.71Å; L92-A98 HydrophobicContact CB-CB 3.86Å; L92-A98 PolarHBondContact O-N 3.3Å; I93-A98 HydrophobicContact CG1-CB 4.34Å; A98-F264 WeakPolarHBondContact CA-O 3.44Å; A98-I265 HydrophobicContact CB-CG1 4.07Å
99D98.4Very high97.5Very high49 Ų4946 Ų4626%0.26225%0.249SC..EExtended strand (participates in β ladder)trans-149.3175.6173.7-160.6-14.6000108.4I263 F264 T272 K276D99-I263 WeakPolarHBondContact O-CA 3.23Å; D99-F264 HydrophobicContact CB-CD2 4.4Å; D99-F264 HydrophobicContact CB-CE2 3.63Å; D99-F264 HydrophobicContact CB-CZ 3.89Å; D99-F264 PolarHBondContact N-O 2.91Å; D99-F264 PolarHBondContact O-N 3.37Å; D99-T272 HydrophobicContact CB-CG2 3.61Å; D99-K276 IonicContact OD1-NZ 2.97Å; D99-K276 PolarHBondContact OD1-NZ 3.42Å; D99-K276 WeakPolarHBondContact OD2-CD 3.48Å; D99-K276 WeakPolarHBondContact OD2-CE 3.43Å; D99-K276 IonicContact OD2-NZ 3.36Å; D99-K276 PolarHBondContact OD2-NZ 3.49Å
100S98.8Very high97.9Very high1 Ų138.6 Ų38.61%0.00721%0.21CC..EExtended strand (participates in β ladder)trans-151.8169-177.758.70000113.8C78 T82 N261 L262C78-S100 WeakPolarHBondContact CB-OG 3.4Å; C78-S100 PolarHBondContact O-OG 3.13Å; T82-S100 WeakPolarHBondContact OG1-CB 3.47Å; T82-S100 PolarHBondContact OG1-OG 3.43Å; S100-N261 VanDerWaalsContact CB-ND2 3.32Å; S100-N261 WeakPolarHBondContact CB-ND2 3.5Å; S100-N261 VanDerWaalsContact CB-OD1 3.26Å; S100-N261 WeakPolarHBondContact CB-OD1 3.48Å; S100-N261 PolarHBondContact OG-ND2 2.69Å; S100-N261 PolarHBondContact OG-OD1 2.93Å; S100-L262 WeakPolarHBondContact CA-O 3.45Å; S100-L262 WeakPolarHBondContact CB-O 3.42Å
101C98.9Very high98.2Very high0 Ų039.6 Ų39.60%021%0.211CC..EExtended strand (participates in β ladder)trans-135.2140.7169.5-70.70000109.5T103 N261 L262 V279 I283C101-T103 WeakPolarHBondContact O-CG2 3.4Å; C101-N261 VanDerWaalsContact C-OD1 3.32Å; C101-N261 PolarHBondContact O-OD1 3.07Å; C101-N261 VanDerWaalsContact O-OD1 3.11Å; C101-L262 PolarHBondContact N-O 3.18Å; C101-L262 VanDerWaalsContact N-O 3.09Å; C101-L262 PolarHBondContact O-N 3.23Å; C101-V279 HydrophobicContact CB-CG1 3.92Å; C101-I283 HydrophobicContact CB-CD1 3.79Å
102Q98.9Very high98.3Very high0 Ų031 Ų310%017%0.173CC..EExtended strand (participates in β ladder)trans-63.5143.7173.4178.4-179.9-20.200111.1S72 I74 M77 C78 G260 P290 P291S72-Q102 PolarHBondContact O-N 3.03Å; I74-Q102 VanDerWaalsContact N-OE1 3.07Å; M77-Q102 HydrophobicContact CE-CB 3.53Å; M77-Q102 HydrophobicContact CE-CG 3.35Å; C78-Q102 PolarHBondContact SG-N 3.24Å; C78-Q102 VanDerWaalsContact SG-N 3.42Å; Q102-G260 WeakPolarHBondContact CA-O 3.43Å; Q102-P290 HydrophobicContact CB-CB 4.35Å; Q102-P290 HydrophobicContact CB-CG 3.9Å; Q102-P290 HydrophobicContact CG-CB 3.76Å; Q102-P290 HydrophobicContact CG-CG 3.73Å; Q102-P291 PolarHBondContact NE2-O 3.23Å
103T98.9Very high98.3Very high0 Ų029.7 Ų29.70%017%0.167CC..EExtended strand (participates in β ladder)trans-137.4171.7-176.463.80000112.4C101 G105 A109 L112 R258 G260 N261 L262C101-T103 WeakPolarHBondContact O-CG2 3.4Å; T103-G105 PolarHBondContact O-N 3.31Å; T103-G105 PolarHBondContact OG1-O 3.5Å; T103-A109 HydrophobicContact CG2-CB 4.1Å; T103-A109 WeakPolarHBondContact OG1-CB 3.31Å; T103-L112 HydrophobicContact CG2-CD1 3.72Å; T103-R258 VanDerWaalsContact O-O 3.1Å; T103-G260 PolarHBondContact N-O 3.41Å; T103-G260 PolarHBondContact O-N 2.68Å; T103-G260 VanDerWaalsContact O-N 3.09Å; T103-N261 PolarHBondContact OG1-N 3.42Å; T103-L262 HydrophobicContact CG2-CB 3.73Å
104L98.7Very high98.5Very high51 Ų5127.5 Ų27.527%0.26716%0.155SC..EExtended strand (participates in β ladder)trans-78.667.2177.1-60.3-176.5000112.3G108 R258 W287 P291L104-G108 PolarHBondContact O-N 2.97Å; L104-R258 CarbonylContact C-O 3.48Å; L104-R258 WeakPolarHBondContact CA-O 3.09Å; L104-R258 HydrophobicContact CB-CB 4.45Å; L104-R258 HydrophobicContact CD2-CB 4.49Å; L104-R258 PolarHBondContact O-NH2 3.47Å; L104-W287 HydrophobicContact CD1-CB 4.29Å; L104-W287 HydrophobicContact CD1-CD2 3.64Å; L104-W287 HydrophobicContact CD1-CE3 3.62Å; L104-W287 HydrophobicContact CD1-CG 3.94Å; L104-W287 HydrophobicContact CD1-CZ3 4.17Å; L104-W287 HydrophobicContact CG-CD2 3.92Å; L104-W287 HydrophobicContact CG-CE3 4.16Å; L104-W287 HydrophobicContact CG-CG 4.34Å; L104-W287 HydrophobicContact CG-CH2 4.43Å; L104-W287 HydrophobicContact CG-CZ2 4.19Å; L104-W287 HydrophobicContact CG-CZ3 4.41Å; L104-P291 HydrophobicContact CD2-CG 3.89Å
105G98.6Very high98.6Very high0 Ų024.8 Ų24.80%013%0.127CC..Hα-helixtrans63.4-171.7-170.900000112.5T103 T107 G108 A109 R258T103-G105 PolarHBondContact O-N 3.31Å; T103-G105 PolarHBondContact OG1-O 3.5Å; G105-T107 PolarHBondContact O-N 3.28Å; G105-G108 PolarHBondContact O-N 3.47Å; G105-G108 VanDerWaalsContact O-N 3.12Å; G105-A109 PolarHBondContact O-N 2.85Å; G105-A109 VanDerWaalsContact O-N 3.12Å; G105-R258 VanDerWaalsContact N-C 3.34Å; G105-R258 PolarHBondContact N-O 3.39Å
106G98.7Very high98.7Very high6 Ų623.1 Ų23.16%0.06211%0.114CC..Hα-helixtrans-59.6-35.5179.700000112.8G108 A109 V110G106-G108 PolarHBondContact O-N 2.95Å; G106-A109 PolarHBondContact O-N 3.29Å; G106-A109 VanDerWaalsContact O-N 3.13Å; G106-V110 WeakPolarHBondContact O-CG2 3.48Å; G106-V110 PolarHBondContact O-N 3.45Å
107T98.8Very high98.7Very high52 Ų5215.9 Ų15.932%0.3198%0.083SC..Hα-helixtrans-57.1-46.8174.7-47.20000112.2G105 A109 Y111 W133 I139G105-T107 PolarHBondContact O-N 3.28Å; T107-A109 VanDerWaalsContact C-N 3.34Å; T107-Y111 WeakPolarHBondContact O-CB 3.36Å; T107-Y111 PolarHBondContact O-N 3.42Å; T107-W133 HydrophobicContact CG2-CH2 4.08Å; T107-I139 HydrophobicContact CG2-CD1 4.18Å
108G98.7Very high98.7Very high6 Ų613.5 Ų13.56%0.0628%0.075CC..Hα-helixtrans-65.5-37.3176.200000112.3L104 G105 G106 L112L104-G108 PolarHBondContact O-N 2.97Å; G105-G108 PolarHBondContact O-N 3.47Å; G105-G108 VanDerWaalsContact O-N 3.12Å; G106-G108 PolarHBondContact O-N 2.95Å; G108-L112 WeakPolarHBondContact O-CG 3.34Å; G108-L112 PolarHBondContact O-N 3.41Å
109A98.9Very high98.7Very high0 Ų016.5 Ų16.50%09%0.09CC..Hα-helixtrans-66.6-46.2176.500000112.9T103 G105 G106 T107 L112 A113 A245 L262T103-A109 HydrophobicContact CG2-CB 4.1Å; T103-A109 WeakPolarHBondContact OG1-CB 3.31Å; G105-A109 PolarHBondContact O-N 2.85Å; G105-A109 VanDerWaalsContact O-N 3.12Å; G106-A109 PolarHBondContact O-N 3.29Å; G106-A109 VanDerWaalsContact O-N 3.13Å; T107-A109 VanDerWaalsContact C-N 3.34Å; A109-L112 PolarHBondContact O-N 3.26Å; A109-A113 VanDerWaalsContact O-CB 3.31Å; A109-A113 WeakPolarHBondContact O-CB 3.21Å; A109-A113 PolarHBondContact O-N 3.02Å; A109-A245 HydrophobicContact CB-CB 3.56Å; A109-L262 HydrophobicContact CB-CB 4.15Å
110V98.9Very high98.6Very high0 Ų016.8 Ų16.80%09%0.091CC..Hα-helixtrans-61.6-44.9175.1174.30000110.6G106 L112 A113 L114 I139 A245G106-V110 WeakPolarHBondContact O-CG2 3.48Å; G106-V110 PolarHBondContact O-N 3.45Å; V110-L112 PolarHBondContact O-N 3.24Å; V110-A113 PolarHBondContact O-N 2.89Å; V110-L114 HydrophobicContact CG1-CD1 3.94Å; V110-L114 HydrophobicContact CG1-CG 4.22Å; V110-L114 WeakPolarHBondContact O-CG 3.46Å; V110-L114 PolarHBondContact O-N 3.12Å; V110-I139 HydrophobicContact CB-CD1 4.16Å; V110-I139 HydrophobicContact CG1-CD1 3.87Å; V110-I139 HydrophobicContact CG1-CG2 4.38Å; V110-A245 HydrophobicContact CG2-CB 3.59Å
111Y98.8Very high98.6Very high45 Ų4518.4 Ų18.418%0.17610%0.102CC..Hα-helixtrans-56.8-50.2176.4171.4-101.5000111.9T107 A113 L114 Q115 I139 L142 V143 T286 W287T107-Y111 WeakPolarHBondContact O-CB 3.36Å; T107-Y111 PolarHBondContact O-N 3.42Å; Y111-A113 PolarHBondContact O-N 2.91Å; Y111-L114 PolarHBondContact O-N 2.94Å; Y111-Q115 WeakPolarHBondContact O-CB 3.39Å; Y111-Q115 PolarHBondContact O-N 2.95Å; Y111-I139 HydrophobicContact CD2-CG2 4.16Å; Y111-L142 HydrophobicContact CD2-CD2 4.05Å; Y111-L142 HydrophobicContact CE2-CD2 3.72Å; Y111-L142 HydrophobicContact CE2-CG 4.35Å; Y111-V143 HydrophobicContact CD2-CG1 4.12Å; Y111-V143 HydrophobicContact CE2-CG1 4Å; Y111-T286 HydrophobicContact CE1-CG2 3.69Å; Y111-W287 HydrophobicContact CD1-CZ3 4.15Å
112L98.8Very high98.5Very high0 Ų025.6 Ų25.60%013%0.133CC..Hα-helixtrans-64.7-40.3178.8-73.1175.9000112.7T103 G108 A109 V110 Q115 F116 L262 L282 I283 W287T103-L112 HydrophobicContact CG2-CD1 3.72Å; G108-L112 WeakPolarHBondContact O-CG 3.34Å; G108-L112 PolarHBondContact O-N 3.41Å; A109-L112 PolarHBondContact O-N 3.26Å; V110-L112 PolarHBondContact O-N 3.24Å; L112-Q115 PolarHBondContact O-N 3.48Å; L112-F116 VanDerWaalsContact O-CB 3.22Å; L112-F116 WeakPolarHBondContact O-CB 3.36Å; L112-F116 PolarHBondContact O-N 2.98Å; L112-L262 HydrophobicContact CB-CD2 3.77Å; L112-L282 HydrophobicContact CD2-CB 3.73Å; L112-I283 HydrophobicContact CD1-CD1 4.1Å; L112-I283 HydrophobicContact CD1-CG1 3.56Å; L112-I283 HydrophobicContact CD2-CG1 4.27Å; L112-W287 HydrophobicContact CD1-CH2 3.58Å; L112-W287 HydrophobicContact CD1-CZ2 3.61Å; L112-W287 HydrophobicContact CD2-CH2 4.07Å; L112-W287 HydrophobicContact CG-CH2 3.65Å; L112-W287 HydrophobicContact CG-CZ2 4.2Å
113A98.9Very high98.5Very high0 Ų026 Ų260%014%0.136CC..Hα-helixtrans-57.4-52.3176.100000111.1A109 V110 Y111 F116 L117 V212 F243 L262A109-A113 VanDerWaalsContact O-CB 3.31Å; A109-A113 WeakPolarHBondContact O-CB 3.21Å; A109-A113 PolarHBondContact O-N 3.02Å; V110-A113 PolarHBondContact O-N 2.89Å; Y111-A113 PolarHBondContact O-N 2.91Å; A113-F116 PolarHBondContact O-N 3.18Å; A113-L117 WeakPolarHBondContact O-CB 3.45Å; A113-L117 WeakPolarHBondContact O-CD1 3.47Å; A113-L117 VanDerWaalsContact O-CG 3.27Å; A113-L117 WeakPolarHBondContact O-CG 3.41Å; A113-L117 PolarHBondContact O-N 3.43Å; A113-V212 HydrophobicContact CB-CG1 4.06Å; A113-F243 HydrophobicContact CB-CB 4.16Å; A113-F243 HydrophobicContact CB-CD2 3.57Å; A113-F243 HydrophobicContact CB-CE2 4.34Å; A113-F243 HydrophobicContact CB-CG 4.24Å; A113-L262 HydrophobicContact CB-CD1 3.98Å
114L98.9Very high98.5Very high0 Ų030.9 Ų30.90%017%0.166CC..Hα-helixtrans-69.9-37.6-178.9-63.6-174.7000112.4V110 Y111 L117 S118 V126 I139 V143 L145 I177 I179V110-L114 HydrophobicContact CG1-CD1 3.94Å; V110-L114 HydrophobicContact CG1-CG 4.22Å; V110-L114 WeakPolarHBondContact O-CG 3.46Å; V110-L114 PolarHBondContact O-N 3.12Å; Y111-L114 PolarHBondContact O-N 2.94Å; L114-L117 PolarHBondContact O-N 3.42Å; L114-S118 VanDerWaalsContact O-CB 3.22Å; L114-S118 WeakPolarHBondContact O-CB 3.37Å; L114-S118 PolarHBondContact O-N 2.9Å; L114-V126 HydrophobicContact CD2-CG2 4.37Å; L114-I139 HydrophobicContact CD1-CB 4.46Å; L114-I139 HydrophobicContact CD1-CG2 3.85Å; L114-V143 HydrophobicContact CB-CG1 4.49Å; L114-V143 HydrophobicContact CB-CG2 3.87Å; L114-L145 HydrophobicContact CB-CD1 4.14Å; L114-L145 HydrophobicContact CD2-CD1 4.16Å; L114-I177 HydrophobicContact CD2-CD1 4.16Å; L114-I177 HydrophobicContact CD2-CG2 3.9Å; L114-I179 HydrophobicContact CD1-CD1 4.05Å; L114-I179 HydrophobicContact CD2-CD1 4.24Å; L114-I179 HydrophobicContact CD2-CG1 4.49Å
115Q98.5Very high98.5Very high31 Ų3129.1 Ų29.115%0.14516%0.157CC..Hα-helixtrans-63.3-42.5175.2-174.772.8-12.900111.4Y111 L112 N119 V143 L282Y111-Q115 WeakPolarHBondContact O-CB 3.39Å; Y111-Q115 PolarHBondContact O-N 2.95Å; L112-Q115 PolarHBondContact O-N 3.48Å; Q115-N119 PolarHBondContact NE2-ND2 2.91Å; Q115-N119 VanDerWaalsContact O-CB 3.29Å; Q115-N119 WeakPolarHBondContact O-CB 3.43Å; Q115-N119 PolarHBondContact O-N 3.45Å; Q115-V143 HydrophobicContact CB-CG1 4.2Å; Q115-L282 HydrophobicContact CG-CD1 4.28Å; Q115-L282 HydrophobicContact CG-CD2 3.92Å
116F98.8Very high98.5Very high14 Ų1429.1 Ų29.16%0.06116%0.157CC..Hα-helixtrans-62.2-51.3175.2-177.4-74.4000110.7L112 A113 S118 I120 S121 F243 V275 Q278 V279 L282L112-F116 VanDerWaalsContact O-CB 3.22Å; L112-F116 WeakPolarHBondContact O-CB 3.36Å; L112-F116 PolarHBondContact O-N 2.98Å; A113-F116 PolarHBondContact O-N 3.18Å; F116-S118 VanDerWaalsContact C-N 3.33Å; F116-S118 PolarHBondContact O-N 3.37Å; F116-I120 HydrophobicContact CD2-CD1 3.76Å; F116-I120 HydrophobicContact CE2-CD1 4Å; F116-I120 HydrophobicContact CG-CD1 4.28Å; F116-I120 HydrophobicContact CZ-CG2 4.29Å; F116-I120 WeakPolarHBondContact O-CA 3.15Å; F116-I120 VanDerWaalsContact O-CB 3.28Å; F116-I120 WeakPolarHBondContact O-CB 3.43Å; F116-I120 PolarHBondContact O-N 3.29Å; F116-S121 VanDerWaalsContact CE1-OG 3.32Å; F116-S121 WeakPolarHBondContact CE1-OG 3.37Å; F116-S121 PolarHBondContact O-N 3.45Å; F116-S121 VanDerWaalsContact O-N 3.09Å; F116-F243 HydrophobicContact CB-CE2 4.01Å; F116-F243 HydrophobicContact CB-CZ 4.32Å; F116-F243 AromaticContact CD1-CE2 3.75Å; F116-F243 HydrophobicContact CD1-CE2 3.75Å; F116-F243 AromaticContact CD1-CZ 3.53Å; F116-F243 HydrophobicContact CD1-CZ 3.53Å; F116-F243 HydrophobicContact CD2-CZ 4.4Å; F116-F243 AromaticContact CE1-CZ 3.91Å; F116-F243 HydrophobicContact CE1-CZ 3.91Å; F116-F243 AromaticContact CG-CE2 3.99Å; F116-F243 HydrophobicContact CG-CE2 3.99Å; F116-F243 AromaticContact CG-CZ 3.84Å; F116-F243 HydrophobicContact CG-CZ 3.84Å; F116-F243 HydrophobicContact CZ-CZ 4.49Å; F116-V275 HydrophobicContact CE2-CB 4.43Å; F116-V275 HydrophobicContact CE2-CG1 3.96Å; F116-V275 HydrophobicContact CZ-CB 4.3Å; F116-V275 HydrophobicContact CZ-CG1 4.04Å; F116-V275 HydrophobicContact CZ-CG2 3.95Å; F116-Q278 HydrophobicContact CD2-CB 4.28Å; F116-Q278 HydrophobicContact CE2-CB 3.66Å; F116-V279 HydrophobicContact CD2-CG2 3.87Å; F116-V279 HydrophobicContact CE2-CG2 4.21Å; F116-L282 HydrophobicContact CB-CD1 3.91Å; F116-L282 HydrophobicContact CD2-CD1 4.28Å
117L98.8Very high98.5Very high1 Ų129.9 Ų29.91%0.00516%0.158CC..Hα-helixtrans-63.5-40.3-176.9-69.6165.1000111.7A113 L114 S121 K122 C123 I177 F210 V212 F243A113-L117 WeakPolarHBondContact O-CB 3.45Å; A113-L117 WeakPolarHBondContact O-CD1 3.47Å; A113-L117 VanDerWaalsContact O-CG 3.27Å; A113-L117 WeakPolarHBondContact O-CG 3.41Å; A113-L117 PolarHBondContact O-N 3.43Å; L114-L117 PolarHBondContact O-N 3.42Å; L117-S121 CarbonylContact O-C 3.26Å; L117-S121 VanDerWaalsContact O-C 3.26Å; L117-S121 WeakPolarHBondContact O-CB 3.42Å; L117-S121 PolarHBondContact O-N 3.31Å; L117-K122 PolarHBondContact O-N 3.46Å; L117-C123 HydrophobicContact CB-CB 4.26Å; L117-C123 WeakPolarHBondContact O-CB 3.46Å; L117-C123 PolarHBondContact O-N 3.09Å; L117-I177 HydrophobicContact CB-CD1 3.51Å; L117-I177 HydrophobicContact CB-CG1 4.17Å; L117-I177 HydrophobicContact CD1-CD1 3.84Å; L117-I177 HydrophobicContact CD1-CG1 3.95Å; L117-I177 HydrophobicContact CD1-CG2 3.91Å; L117-I177 HydrophobicContact CG-CD1 4.28Å; L117-F210 HydrophobicContact CD1-CD1 3.65Å; L117-F210 HydrophobicContact CD1-CE1 3.86Å; L117-F210 HydrophobicContact CD2-CD1 3.64Å; L117-F210 HydrophobicContact CD2-CD2 4.21Å; L117-F210 HydrophobicContact CD2-CE1 3.69Å; L117-F210 HydrophobicContact CD2-CE2 4.24Å; L117-F210 HydrophobicContact CD2-CG 3.91Å; L117-F210 HydrophobicContact CD2-CZ 3.98Å; L117-F210 HydrophobicContact CG-CD1 4.3Å; L117-F210 HydrophobicContact CG-CE1 4.32Å; L117-V212 HydrophobicContact CD1-CG2 3.55Å; L117-F243 HydrophobicContact CD1-CD2 3.96Å; L117-F243 HydrophobicContact CD1-CE2 4.2Å; L117-F243 HydrophobicContact CD2-CE2 4.19Å; L117-F243 HydrophobicContact CG-CD2 4.13Å; L117-F243 HydrophobicContact CG-CE2 3.84Å
118S98.3Very high98.5Very high21 Ų2127.8 Ų27.815%0.14715%0.145CC..Hα-helixtrans-67.8-58.1176.2-175.10000111.8L114 F116 K122 V143L114-S118 VanDerWaalsContact O-CB 3.22Å; L114-S118 WeakPolarHBondContact O-CB 3.37Å; L114-S118 PolarHBondContact O-N 2.9Å; F116-S118 VanDerWaalsContact C-N 3.33Å; F116-S118 PolarHBondContact O-N 3.37Å; S118-K122 VanDerWaalsContact O-CA 3.26Å; S118-K122 WeakPolarHBondContact O-CA 3.37Å; S118-K122 PolarHBondContact O-N 3Å; S118-V143 PolarHBondContact OG-O 2.96Å
119N97.3Very high98.5Very high69 Ų6927.7 Ų27.737%0.36914%0.143SC..Hα-helixtrans-81.9-33.7-167.8-68.7-9.7000113.8Q115 K122Q115-N119 PolarHBondContact NE2-ND2 2.91Å; Q115-N119 VanDerWaalsContact O-CB 3.29Å; Q115-N119 WeakPolarHBondContact O-CB 3.43Å; Q115-N119 PolarHBondContact O-N 3.45Å; N119-K122 VanDerWaalsContact O-CE 3.3Å; N119-K122 WeakPolarHBondContact O-CE 3.37Å; N119-K122 PolarHBondContact O-NZ 3.32Å
120I97.7Very high98.5Very high56 Ų5631.4 Ų31.429%0.28716%0.163SC..THydrogen-bonded Turntrans-102.5-53.8-171.8-51.7-176.2000109.1F116 K122 Q278 L282F116-I120 HydrophobicContact CD2-CD1 3.76Å; F116-I120 HydrophobicContact CE2-CD1 4Å; F116-I120 HydrophobicContact CG-CD1 4.28Å; F116-I120 HydrophobicContact CZ-CG2 4.29Å; F116-I120 WeakPolarHBondContact O-CA 3.15Å; F116-I120 VanDerWaalsContact O-CB 3.28Å; F116-I120 WeakPolarHBondContact O-CB 3.43Å; F116-I120 PolarHBondContact O-N 3.29Å; I120-K122 VanDerWaalsContact C-N 3.27Å; I120-K122 PolarHBondContact O-N 3.3Å; I120-Q278 HydrophobicContact CD1-CB 3.7Å; I120-Q278 HydrophobicContact CD1-CG 4.14Å; I120-Q278 HydrophobicContact CG2-CG 4.49Å; I120-L282 HydrophobicContact CD1-CD1 4.14Å; I120-L282 HydrophobicContact CD1-CG 4.43Å
121S97.6Very high98.4Very high35 Ų3532.5 Ų32.525%0.24517%0.17CC..THydrogen-bonded Turntrans-79.8-3.7178-51.40000113.9F116 L117 C123 R175F116-S121 VanDerWaalsContact CE1-OG 3.32Å; F116-S121 WeakPolarHBondContact CE1-OG 3.37Å; F116-S121 PolarHBondContact O-N 3.45Å; F116-S121 VanDerWaalsContact O-N 3.09Å; L117-S121 CarbonylContact O-C 3.26Å; L117-S121 VanDerWaalsContact O-C 3.26Å; L117-S121 WeakPolarHBondContact O-CB 3.42Å; L117-S121 PolarHBondContact O-N 3.31Å; S121-C123 PolarHBondContact O-N 3.45Å; S121-C123 VanDerWaalsContact O-N 3.13Å; S121-R175 PolarHBondContact O-NH2 3.47Å
122K98Very high98.4Very high151 Ų15131.1 Ų31.166%0.65717%0.167SC*.  trans56.627.4176.8-49.1-55.6-175.5-175.20114.3L117 S118 N119 I120L117-K122 PolarHBondContact O-N 3.46Å; S118-K122 VanDerWaalsContact O-CA 3.26Å; S118-K122 WeakPolarHBondContact O-CA 3.37Å; S118-K122 PolarHBondContact O-N 3Å; N119-K122 VanDerWaalsContact O-CE 3.3Å; N119-K122 WeakPolarHBondContact O-CE 3.37Å; N119-K122 PolarHBondContact O-NZ 3.32Å; I120-K122 VanDerWaalsContact C-N 3.27Å; I120-K122 PolarHBondContact O-N 3.3Å
123C98.5Very high98.3Very high9 Ų933.8 Ų33.86%0.06118%0.177CC..  trans-68.7137.5169.5-67.40000109.2L117 S121 L145 R175 I177L117-C123 HydrophobicContact CB-CB 4.26Å; L117-C123 WeakPolarHBondContact O-CB 3.46Å; L117-C123 PolarHBondContact O-N 3.09Å; S121-C123 PolarHBondContact O-N 3.45Å; S121-C123 VanDerWaalsContact O-N 3.13Å; C123-L145 VanDerWaalsContact O-CD2 3.28Å; C123-L145 WeakPolarHBondContact O-CD2 3.2Å; C123-R175 PolarHBondContact SG-O 2.78Å; C123-R175 VanDerWaalsContact SG-O 3.33Å; C123-I177 HydrophobicContact CB-CD1 3.8Å; C123-I177 HydrophobicContact CB-CG1 3.81Å
124T98.4Very high98.1Very high102 Ų10237.7 Ų37.763%0.62620%0.203SC*.  trans-112.5-21.5-174.558.30000113.6N146T124-N146 VanDerWaalsContact O-CB 3.31Å; T124-N146 WeakPolarHBondContact O-CB 3.44Å; T124-N146 PolarHBondContact O-N 3.41Å
125T98.8Very high98Very high13 Ų1340.6 Ų40.68%0.0822%0.218CC..EExtended strand (participates in β ladder)trans-124.7136.2-172.2-57.40000110.7Y127 N146 K148 I177T125-Y127 HydrophobicContact CG2-CD2 4.07Å; T125-Y127 HydrophobicContact CG2-CE2 3.66Å; T125-N146 VanDerWaalsContact CA-O 3.31Å; T125-N146 WeakPolarHBondContact CA-O 3.49Å; T125-K148 HydrophobicContact CG2-CB 4.45Å; T125-K148 HydrophobicContact CG2-CG 3.72Å; T125-I177 PolarHBondContact O-N 3.18Å
126V98.9Very high98Very high0 Ų039.1 Ų39.10%021%0.211CC..EExtended strand (participates in β ladder)trans-124.4135175.361.70000110.5L114 I128 L145 N146 I147 K148 I177 I179L114-V126 HydrophobicContact CD2-CG2 4.37Å; V126-I128 HydrophobicContact CG2-CG1 4.22Å; V126-L145 HydrophobicContact CB-CB 4.34Å; V126-L145 HydrophobicContact CB-CD1 4.08Å; V126-L145 HydrophobicContact CG1-CB 3.71Å; V126-L145 HydrophobicContact CG1-CD1 4.1Å; V126-N146 PolarHBondContact N-O 2.98Å; V126-I147 HydrophobicContact CG1-CB 4.48Å; V126-I147 HydrophobicContact CG1-CG1 4.05Å; V126-K148 PolarHBondContact O-N 2.67Å; V126-I177 CarbonylContact C-O 3.57Å; V126-I177 WeakPolarHBondContact CA-O 3.4Å; V126-I177 HydrophobicContact CB-CB 4.17Å; V126-I177 HydrophobicContact CG2-CB 4.03Å; V126-I177 HydrophobicContact CG2-CG2 4.08Å; V126-I179 HydrophobicContact CG2-CD1 3.85Å; V126-I179 HydrophobicContact CG2-CG1 3.84Å
127Y98.9Very high98Very high22 Ų2243.7 Ų43.79%0.08623%0.231CC..EExtended strand (participates in β ladder)trans-104.9125.5176.6-83.3-98.6000109.4T125 K148 Y150 L169 A172 A176 I177 I179T125-Y127 HydrophobicContact CG2-CD2 4.07Å; T125-Y127 HydrophobicContact CG2-CE2 3.66Å; Y127-K148 WeakPolarHBondContact CA-O 3.35Å; Y127-K148 HydrophobicContact CD1-CB 3.75Å; Y127-K148 HydrophobicContact CD2-CB 4.11Å; Y127-K148 HydrophobicContact CE1-CB 3.56Å; Y127-K148 HydrophobicContact CE1-CG 4.3Å; Y127-K148 HydrophobicContact CE2-CB 3.91Å; Y127-K148 HydrophobicContact CE2-CG 4.1Å; Y127-K148 HydrophobicContact CG-CB 4.03Å; Y127-Y150 HydrophobicContact CD1-CD1 4.48Å; Y127-L169 HydrophobicContact CD1-CD2 3.93Å; Y127-L169 HydrophobicContact CG-CD2 4.08Å; Y127-A172 HydrophobicContact CD2-CB 4.07Å; Y127-A172 HydrophobicContact CE1-CB 4.24Å; Y127-A172 HydrophobicContact CE2-CB 3.5Å; Y127-A172 WeakPolarHBondContact OH-CA 3.35Å; Y127-A176 HydrophobicContact CD2-CB 3.93Å; Y127-A176 HydrophobicContact CE2-CB 3.97Å; Y127-I177 PolarHBondContact N-O 2.88Å; Y127-I179 PolarHBondContact O-N 3.34Å
128I98.9Very high98Very high9 Ų945.1 Ų45.15%0.04625%0.247CC..EExtended strand (participates in β ladder)trans-122.1144.1-179.1-52.4176000108.3V126 S132 H136 I147 K148 E149 Y150 I179V126-I128 HydrophobicContact CG2-CG1 4.22Å; I128-S132 VanDerWaalsContact CG2-CB 3.4Å; I128-S132 WeakPolarHBondContact CG2-OG 3.17Å; I128-H136 HydrophobicContact CD1-CB 4.02Å; I128-H136 HydrophobicContact CG2-CB 4Å; I128-I147 HydrophobicContact CD1-CG2 3.8Å; I128-I147 HydrophobicContact CG1-CG2 4.42Å; I128-K148 PolarHBondContact N-O 2.86Å; I128-E149 CarbonylContact O-C 3.59Å; I128-E149 WeakPolarHBondContact O-CA 3.22Å; I128-Y150 VanDerWaalsContact C-CD1 3.47Å; I128-Y150 VanDerWaalsContact O-CD1 3.3Å; I128-Y150 WeakPolarHBondContact O-CD1 3.32Å; I128-Y150 PolarHBondContact O-N 3.43Å; I128-I179 HydrophobicContact CG1-CD1 4.18Å
129S98.8Very high98Very high3 Ų344.6 Ų44.62%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-62.9144.5175.323.60000110.8P131 S132 Y150 H185S129-P131 CarbonylContact C-O 3.53Å; S129-P131 VanDerWaalsContact C-O 3.24Å; S129-P131 WeakPolarHBondContact CB-O 3.36Å; S129-P131 CarbonylContact O-C 3.57Å; S129-P131 VanDerWaalsContact O-O 3.05Å; S129-S132 WeakPolarHBondContact O-CB 3.48Å; S129-S132 PolarHBondContact O-N 2.88Å; S129-Y150 VanDerWaalsContact CB-CE2 3.49Å; S129-Y150 WeakPolarHBondContact CB-OH 3.3Å; S129-Y150 VanDerWaalsContact N-CZ 3.27Å; S129-Y150 PolarHBondContact N-OH 2.86Å; S129-Y150 PolarHBondContact OG-OH 3.13Å; S129-H185 PolarHBondContact OG-NE2 3.49Å
130N98.1Very high98Very high78 Ų7841.3 Ų41.342%0.41722%0.224SC..EExtended strand (participates in β ladder)trans-103.8110.2167.8-174.72.1000110.5E149 Y150 Y152 W153N130-E149 HydrophobicContact CB-CB 4.2Å; N130-E149 PolarHBondContact ND2-OE2 3.12Å; N130-Y150 PolarHBondContact N-O 2.83Å; N130-Y152 WeakPolarHBondContact O-CB 3.5Å; N130-Y152 PolarHBondContact O-N 3.24Å; N130-W153 PolarHBondContact O-N 3.2Å; N130-W153 VanDerWaalsContact O-N 3.09Å
131P97.4Very high98Very high23 Ų2343.8 Ų43.815%0.14924%0.237CC..SBendcis-80.5178.2-7.836.1-36.4000111.9S129 W153 H185 P187 T188 Y354S129-P131 CarbonylContact C-O 3.53Å; S129-P131 VanDerWaalsContact C-O 3.24Å; S129-P131 WeakPolarHBondContact CB-O 3.36Å; S129-P131 CarbonylContact O-C 3.57Å; S129-P131 VanDerWaalsContact O-O 3.05Å; P131-W153 VanDerWaalsContact CD-CB 3.45Å; P131-W153 HydrophobicContact CG-CB 4.45Å; P131-H185 PolarHBondContact O-CE1 2.88Å; P131-P187 HydrophobicContact CB-CG 4Å; P131-P187 HydrophobicContact CG-CG 3.73Å; P131-T188 HydrophobicContact CG-CG2 3.71Å; P131-Y354 HydrophobicContact CG-CE1 3.82Å
132S98Very high98Very high16 Ų1647.8 Ų47.811%0.11226%0.255CS..  trans-153171.5174.2173.90000110I128 S129 P134 H136 H181 N186I128-S132 VanDerWaalsContact CG2-CB 3.4Å; I128-S132 WeakPolarHBondContact CG2-OG 3.17Å; S129-S132 WeakPolarHBondContact O-CB 3.48Å; S129-S132 PolarHBondContact O-N 2.88Å; S132-P134 WeakPolarHBondContact O-CD 3.48Å; S132-P134 VanDerWaalsContact O-N 3.11Å; S132-H136 PolarHBondContact OG-ND1 3.07Å; S132-H181 PolarHBondContact OG-NE2 2.79Å; S132-H181 VanDerWaalsContact OG-NE2 3.16Å; S132-N186 CarbonylContact C-O 3.45Å; S132-N186 VanDerWaalsContact C-O 3.32Å; S132-N186 WeakPolarHBondContact CA-O 3.06Å
133W97.2Very high98Very high56 Ų5640.7 Ų40.721%0.21223%0.225CC..  trans-49119169.717847.2000110T107 N135 H136 I139 N186T107-W133 HydrophobicContact CG2-CH2 4.08Å; W133-N135 HydrophobicContact CD2-CB 3.85Å; W133-N135 VanDerWaalsContact CE2-CB 3.44Å; W133-N135 HydrophobicContact CE3-CB 4.04Å; W133-N135 HydrophobicContact CH2-CB 3.51Å; W133-N135 VanDerWaalsContact CH2-ND2 3.34Å; W133-N135 WeakPolarHBondContact CH2-ND2 3.23Å; W133-N135 HydrophobicContact CZ2-CB 3.29Å; W133-N135 HydrophobicContact CZ3-CB 3.87Å; W133-N135 PolarHBondContact O-N 3Å; W133-H136 AromaticContact CE3-CD2 3.48Å; W133-H136 VanDerWaalsContact CE3-CD2 3.48Å; W133-H136 AromaticContact CE3-NE2 3.59Å; W133-H136 AromaticContact CZ3-CD2 3.95Å; W133-H136 WeakPolarHBondContact O-CB 3.24Å; W133-H136 PolarHBondContact O-N 3.46Å; W133-I139 HydrophobicContact CH2-CD1 4.38Å; W133-I139 HydrophobicContact CZ3-CD1 4.19Å; W133-N186 PolarHBondContact N-O 3Å
134P95.2Very high98Very high83 Ų8351.2 Ų51.254%0.53926%0.263SS..Hα-helixtrans-56.4-30-168.7-31.936.5000114.6S132 H136 K137 G138S132-P134 WeakPolarHBondContact O-CD 3.48Å; S132-P134 VanDerWaalsContact O-N 3.11Å; P134-H136 VanDerWaalsContact C-N 3.26Å; P134-H136 PolarHBondContact O-N 3.18Å; P134-K137 PolarHBondContact O-N 2.92Å; P134-G138 PolarHBondContact O-N 3.21Å
135N97Very high98Very high60 Ų6046.9 Ų46.932%0.32124%0.236SC..Hα-helixtrans-74.2-12.6-178.6-155.227.5000113.6W133 K137 G138 I139W133-N135 HydrophobicContact CD2-CB 3.85Å; W133-N135 VanDerWaalsContact CE2-CB 3.44Å; W133-N135 HydrophobicContact CE3-CB 4.04Å; W133-N135 HydrophobicContact CH2-CB 3.51Å; W133-N135 VanDerWaalsContact CH2-ND2 3.34Å; W133-N135 WeakPolarHBondContact CH2-ND2 3.23Å; W133-N135 HydrophobicContact CZ2-CB 3.29Å; W133-N135 HydrophobicContact CZ3-CB 3.87Å; W133-N135 PolarHBondContact O-N 3Å; N135-K137 VanDerWaalsContact C-N 3.29Å; N135-K137 PolarHBondContact O-N 3.44Å; N135-G138 PolarHBondContact O-N 2.99Å; N135-I139 WeakPolarHBondContact O-CB 3.39Å; N135-I139 WeakPolarHBondContact O-CG1 3.4Å; N135-I139 PolarHBondContact O-N 3.44Å
136H98.7Very high98Very high0 Ų050.1 Ų50.10%025%0.253CS..Hα-helixtrans-56.6-48.6167.1-74.8161.2000110.2I128 S132 W133 P134 G138 I139 S140 I179 H181 D214I128-H136 HydrophobicContact CD1-CB 4.02Å; I128-H136 HydrophobicContact CG2-CB 4Å; S132-H136 PolarHBondContact OG-ND1 3.07Å; W133-H136 AromaticContact CE3-CD2 3.48Å; W133-H136 VanDerWaalsContact CE3-CD2 3.48Å; W133-H136 AromaticContact CE3-NE2 3.59Å; W133-H136 AromaticContact CZ3-CD2 3.95Å; W133-H136 WeakPolarHBondContact O-CB 3.24Å; W133-H136 PolarHBondContact O-N 3.46Å; P134-H136 VanDerWaalsContact C-N 3.26Å; P134-H136 PolarHBondContact O-N 3.18Å; H136-G138 PolarHBondContact O-N 3.45Å; H136-I139 PolarHBondContact O-N 2.9Å; H136-S140 WeakPolarHBondContact O-CB 3.35Å; H136-S140 PolarHBondContact O-N 3.42Å; H136-S140 PolarHBondContact O-OG 2.75Å; H136-I179 HydrophobicContact CB-CD1 4.25Å; H136-I179 VanDerWaalsContact CE1-CG2 3.5Å; H136-I179 WeakPolarHBondContact CE1-CG2 3.23Å; H136-H181 AromaticContact CE1-CE1 3.9Å; H136-H181 AromaticContact CE1-NE2 3.71Å; H136-H181 AromaticContact ND1-NE2 3.9Å; H136-D214 IonicContact CE1-OD2 2.76Å; H136-D214 PolarHBondContact CE1-OD2 2.74Å; H136-D214 IonicContact NE2-OD2 3.88Å; H136-D214 PolarHBondContact NE2-OD2 3.07Å; H136-D214 VanDerWaalsContact NE2-OD2 3.13Å
137K98Very high98Very high110 Ų11052.1 Ų52.148%0.47826%0.263SS..Hα-helixtrans-62.1-44.9175.2-173.4172.2-175.1168.80111.5P134 N135 I139 S140 I141 I147P134-K137 PolarHBondContact O-N 2.92Å; N135-K137 VanDerWaalsContact C-N 3.29Å; N135-K137 PolarHBondContact O-N 3.44Å; K137-I139 PolarHBondContact O-N 2.8Å; K137-S140 PolarHBondContact O-N 3.29Å; K137-I141 HydrophobicContact CG-CD1 4.17Å; K137-I141 VanDerWaalsContact O-CG1 3.31Å; K137-I141 WeakPolarHBondContact O-CG1 3.39Å; K137-I141 PolarHBondContact O-N 3.29Å; K137-I147 HydrophobicContact CG-CD1 3.8Å
138G97.5Very high98Very high32 Ų3255.5 Ų55.533%0.3328%0.278SS..Hα-helixtrans-56.8-48.7177.700000113.3P134 N135 H136 I141 L142P134-G138 PolarHBondContact O-N 3.21Å; N135-G138 PolarHBondContact O-N 2.99Å; H136-G138 PolarHBondContact O-N 3.45Å; G138-I141 PolarHBondContact O-N 3.44Å; G138-L142 PolarHBondContact O-N 3.19Å; G138-L142 VanDerWaalsContact O-N 3.11Å
139I98.5Very high97.9Very high9 Ų959.6 Ų59.65%0.04630%0.297CS..Hα-helixtrans-65.9-42.9177.5-63.8166.8000110.7T107 V110 Y111 L114 W133 N135 H136 K137 I141 L142 V143T107-I139 HydrophobicContact CG2-CD1 4.18Å; V110-I139 HydrophobicContact CB-CD1 4.16Å; V110-I139 HydrophobicContact CG1-CD1 3.87Å; V110-I139 HydrophobicContact CG1-CG2 4.38Å; Y111-I139 HydrophobicContact CD2-CG2 4.16Å; L114-I139 HydrophobicContact CD1-CB 4.46Å; L114-I139 HydrophobicContact CD1-CG2 3.85Å; W133-I139 HydrophobicContact CH2-CD1 4.38Å; W133-I139 HydrophobicContact CZ3-CD1 4.19Å; N135-I139 WeakPolarHBondContact O-CB 3.39Å; N135-I139 WeakPolarHBondContact O-CG1 3.4Å; N135-I139 PolarHBondContact O-N 3.44Å; H136-I139 PolarHBondContact O-N 2.9Å; K137-I139 PolarHBondContact O-N 2.8Å; I139-I141 VanDerWaalsContact C-N 3.3Å; I139-I141 PolarHBondContact O-N 3.37Å; I139-L142 WeakPolarHBondContact O-CB 3.39Å; I139-L142 PolarHBondContact O-N 3.1Å; I139-L142 VanDerWaalsContact O-N 3.11Å; I139-V143 WeakPolarHBondContact O-CG2 3.45Å; I139-V143 PolarHBondContact O-N 3.31Å
140S98.7Very high97.9Very high0 Ų059.6 Ų59.60%030%0.297CS..Hα-helixtrans-60.3-37.5177.8-63.80000113.1H136 K137 V143 R144 L145H136-S140 WeakPolarHBondContact O-CB 3.35Å; H136-S140 PolarHBondContact O-N 3.42Å; H136-S140 PolarHBondContact O-OG 2.75Å; K137-S140 PolarHBondContact O-N 3.29Å; S140-V143 WeakPolarHBondContact O-CG2 3.44Å; S140-R144 PolarHBondContact O-N 3.42Å; S140-L145 PolarHBondContact O-N 3.24Å
141I97.9Very high98Very high108 Ų10860 Ų6055%0.55429%0.292SS*.Hα-helixtrans-63.6-47.1172.4-68166.3000110.2K137 G138 I139 V143 R144 I147K137-I141 HydrophobicContact CG-CD1 4.17Å; K137-I141 VanDerWaalsContact O-CG1 3.31Å; K137-I141 WeakPolarHBondContact O-CG1 3.39Å; K137-I141 PolarHBondContact O-N 3.29Å; G138-I141 PolarHBondContact O-N 3.44Å; I139-I141 VanDerWaalsContact C-N 3.3Å; I139-I141 PolarHBondContact O-N 3.37Å; I141-V143 PolarHBondContact O-N 3.23Å; I141-R144 PolarHBondContact O-N 2.66Å; I141-I147 HydrophobicContact CG1-CD1 3.71Å
142L97.2Very high98Very high119 Ų11959.1 Ų59.162%0.62329%0.286SS*.Hα-helixtrans-57.8-37.3-179-17564.9000112.1Y111 G138 I139 R144Y111-L142 HydrophobicContact CD2-CD2 4.05Å; Y111-L142 HydrophobicContact CE2-CD2 3.72Å; Y111-L142 HydrophobicContact CE2-CG 4.35Å; G138-L142 PolarHBondContact O-N 3.19Å; G138-L142 VanDerWaalsContact O-N 3.11Å; I139-L142 WeakPolarHBondContact O-CB 3.39Å; I139-L142 PolarHBondContact O-N 3.1Å; I139-L142 VanDerWaalsContact O-N 3.11Å; L142-R144 VanDerWaalsContact C-N 3.34Å
143V97.5Very high97.9Very high3 Ų359.7 Ų59.72%0.01829%0.286CS..THydrogen-bonded Turntrans-92.19.4178.3-52.30000114Y111 L114 Q115 S118 I139 S140 I141 L145Y111-V143 HydrophobicContact CD2-CG1 4.12Å; Y111-V143 HydrophobicContact CE2-CG1 4Å; L114-V143 HydrophobicContact CB-CG1 4.49Å; L114-V143 HydrophobicContact CB-CG2 3.87Å; Q115-V143 HydrophobicContact CB-CG1 4.2Å; S118-V143 PolarHBondContact OG-O 2.96Å; I139-V143 WeakPolarHBondContact O-CG2 3.45Å; I139-V143 PolarHBondContact O-N 3.31Å; S140-V143 WeakPolarHBondContact O-CG2 3.44Å; I141-V143 PolarHBondContact O-N 3.23Å; V143-L145 HydrophobicContact CG2-CB 4.44Å; V143-L145 HydrophobicContact CG2-CD1 3.44Å; V143-L145 VanDerWaalsContact CG2-CD1 3.44Å; V143-L145 HydrophobicContact CG2-CG 3.72Å; V143-L145 PolarHBondContact O-N 3.46Å
144R98Very high97.8Very high229 Ų22958.9 Ų58.986%0.86429%0.286SS*.THydrogen-bonded Turntrans59.736.1174.3-52.2-179-179.7-162.5-1.1115.2S140 I141 L142S140-R144 PolarHBondContact O-N 3.42Å; I141-R144 PolarHBondContact O-N 2.66Å; L142-R144 VanDerWaalsContact C-N 3.34Å
145L98.6Very high97.5Very high12 Ų1259.5 Ų59.56%0.06329%0.29CS..  trans-84144.6173.9-70.1165.2000111.2L114 C123 V126 S140 V143 I147 I177L114-L145 HydrophobicContact CB-CD1 4.14Å; L114-L145 HydrophobicContact CD2-CD1 4.16Å; C123-L145 VanDerWaalsContact O-CD2 3.28Å; C123-L145 WeakPolarHBondContact O-CD2 3.2Å; V126-L145 HydrophobicContact CB-CB 4.34Å; V126-L145 HydrophobicContact CB-CD1 4.08Å; V126-L145 HydrophobicContact CG1-CB 3.71Å; V126-L145 HydrophobicContact CG1-CD1 4.1Å; S140-L145 PolarHBondContact O-N 3.24Å; V143-L145 HydrophobicContact CG2-CB 4.44Å; V143-L145 HydrophobicContact CG2-CD1 3.44Å; V143-L145 VanDerWaalsContact CG2-CD1 3.44Å; V143-L145 HydrophobicContact CG2-CG 3.72Å; V143-L145 PolarHBondContact O-N 3.46Å; L145-I147 PolarHBondContact O-N 2.88Å; L145-I177 HydrophobicContact CD1-CD1 3.85Å; L145-I177 HydrophobicContact CD2-CD1 4.04Å
146N98.6Very high97.1Very high80 Ų8061.7 Ų61.743%0.42831%0.31SS..EExtended strand (participates in β ladder)trans-71.3114.8167.2178.434.5000109.2T124 T125 V126T124-N146 VanDerWaalsContact O-CB 3.31Å; T124-N146 WeakPolarHBondContact O-CB 3.44Å; T124-N146 PolarHBondContact O-N 3.41Å; T125-N146 VanDerWaalsContact CA-O 3.31Å; T125-N146 WeakPolarHBondContact CA-O 3.49Å; V126-N146 PolarHBondContact N-O 2.98Å
147I98.7Very high96.7Very high42 Ų4264.3 Ų64.322%0.21533%0.328CS..EExtended strand (participates in β ladder)trans-90.2126.3-173.8-53.3179.1000109.5V126 I128 K137 I141 L145V126-I147 HydrophobicContact CG1-CB 4.48Å; V126-I147 HydrophobicContact CG1-CG1 4.05Å; I128-I147 HydrophobicContact CD1-CG2 3.8Å; I128-I147 HydrophobicContact CG1-CG2 4.42Å; K137-I147 HydrophobicContact CG-CD1 3.8Å; I141-I147 HydrophobicContact CG1-CD1 3.71Å; L145-I147 PolarHBondContact O-N 2.88Å
148K98.7Very high96.4Very high93 Ų9361.9 Ų61.940%0.40432%0.316SS..EExtended strand (participates in β ladder)trans-119.7155.2168.1-61-62.6176.3-1730108.9T125 V126 Y127 I128T125-K148 HydrophobicContact CG2-CB 4.45Å; T125-K148 HydrophobicContact CG2-CG 3.72Å; V126-K148 PolarHBondContact O-N 2.67Å; Y127-K148 WeakPolarHBondContact CA-O 3.35Å; Y127-K148 HydrophobicContact CD1-CB 3.75Å; Y127-K148 HydrophobicContact CD2-CB 4.11Å; Y127-K148 HydrophobicContact CE1-CB 3.56Å; Y127-K148 HydrophobicContact CE1-CG 4.3Å; Y127-K148 HydrophobicContact CE2-CB 3.91Å; Y127-K148 HydrophobicContact CE2-CG 4.1Å; Y127-K148 HydrophobicContact CG-CB 4.03Å; I128-K148 PolarHBondContact N-O 2.86Å
149E98.6Very high96.2Very high96 Ų9666.6 Ų66.645%0.44933%0.327SS..EExtended strand (participates in β ladder)trans-115.7145.8176.4-70176.5179.200109.2I128 N130I128-E149 CarbonylContact O-C 3.59Å; I128-E149 WeakPolarHBondContact O-CA 3.22Å; N130-E149 HydrophobicContact CB-CB 4.2Å; N130-E149 PolarHBondContact ND2-OE2 3.12Å
150Y98.8Very high96.1Very high3 Ų367.3 Ų67.31%0.01233%0.332CS..EExtended strand (participates in β ladder)trans-113.2140.1166.358.8-92.1000109.1Y127 I128 S129 N130 Y152 M165 L169 V178 I179Y127-Y150 HydrophobicContact CD1-CD1 4.48Å; I128-Y150 VanDerWaalsContact C-CD1 3.47Å; I128-Y150 VanDerWaalsContact O-CD1 3.3Å; I128-Y150 WeakPolarHBondContact O-CD1 3.32Å; I128-Y150 PolarHBondContact O-N 3.43Å; S129-Y150 VanDerWaalsContact CB-CE2 3.49Å; S129-Y150 WeakPolarHBondContact CB-OH 3.3Å; S129-Y150 VanDerWaalsContact N-CZ 3.27Å; S129-Y150 PolarHBondContact N-OH 2.86Å; S129-Y150 PolarHBondContact OG-OH 3.13Å; N130-Y150 PolarHBondContact N-O 2.83Å; Y150-Y152 AromaticContact CE2-CD2 3.98Å; Y150-Y152 HydrophobicContact CE2-CD2 3.98Å; Y150-Y152 PolarHBondContact O-N 3.01Å; Y150-M165 HydrophobicContact CD2-CB 4.48Å; Y150-M165 HydrophobicContact CD2-CE 4.2Å; Y150-M165 HydrophobicContact CD2-CG 3.75Å; Y150-M165 HydrophobicContact CD2-SD 4.39Å; Y150-M165 HydrophobicContact CE2-CE 3.7Å; Y150-M165 HydrophobicContact CE2-CG 4.15Å; Y150-M165 HydrophobicContact CE2-SD 4.21Å; Y150-L169 HydrophobicContact CD1-CD2 3.84Å; Y150-L169 HydrophobicContact CD1-CG 4.48Å; Y150-L169 HydrophobicContact CG-CD2 4.06Å; Y150-L169 HydrophobicContact CG-CG 4.24Å; Y150-V178 HydrophobicContact CE1-CG1 4.09Å; Y150-I179 PolarHBondContact OH-O 3.11Å
151R98.7Very high96.1Very high85 Ų8569.6 Ų69.632%0.32134%0.344SS..EExtended strand (participates in β ladder)trans-55.1131174.8-76.3169.3-75.5164.9-1.7109.6N161 G164 M165 E167 D168R151-N161 HydrophobicContact CB-CB 4.49Å; R151-G164 PolarHBondContact NH2-O 3.16Å; R151-M165 VanDerWaalsContact O-CA 3.24Å; R151-M165 WeakPolarHBondContact O-CA 3.49Å; R151-M165 VanDerWaalsContact O-CB 3.23Å; R151-M165 WeakPolarHBondContact O-CB 3.34Å; R151-M165 PolarHBondContact O-N 3.2Å; R151-E167 IonicContact CZ-OE2 3.17Å; R151-E167 VanDerWaalsContact CZ-OE2 3.29Å; R151-E167 IonicContact NH1-OE2 2.73Å; R151-E167 PolarHBondContact NH1-OE2 3.47Å; R151-E167 IonicContact NH2-OE2 2.72Å; R151-E167 PolarHBondContact NH2-OE2 2.87Å; R151-D168 WeakPolarHBondContact CB-OD2 3.32Å; R151-D168 WeakPolarHBondContact CG-OD2 3.49Å; R151-D168 IonicContact CZ-OD1 3.52Å; R151-D168 IonicContact CZ-OD2 3.53Å; R151-D168 PolarHBondContact N-OD2 3.11Å; R151-D168 IonicContact NE-OD1 2.66Å; R151-D168 PolarHBondContact NE-OD1 3.41Å; R151-D168 IonicContact NE-OD2 3.6Å; R151-D168 PolarHBondContact NE-OD2 2.74Å; R151-D168 IonicContact NH2-OD1 2.69Å; R151-D168 PolarHBondContact NH2-OD1 3.09Å; R151-D168 IonicContact NH2-OD2 3.86Å
152Y98.6Very high96.1Very high6 Ų665.4 Ų65.42%0.02432%0.322CS..  trans-133-54.7177.8-169.8-100.2000111.6N130 Y150 V160 N161 M165 H185 T190 L192N130-Y152 WeakPolarHBondContact O-CB 3.5Å; N130-Y152 PolarHBondContact O-N 3.24Å; Y150-Y152 AromaticContact CE2-CD2 3.98Å; Y150-Y152 HydrophobicContact CE2-CD2 3.98Å; Y150-Y152 PolarHBondContact O-N 3.01Å; Y152-V160 HydrophobicContact CD2-CG1 4.24Å; Y152-V160 HydrophobicContact CE1-CG2 4.21Å; Y152-V160 HydrophobicContact CE2-CG1 4.21Å; Y152-V160 CarbonylContact O-C 3.55Å; Y152-V160 WeakPolarHBondContact O-CA 3.43Å; Y152-V160 WeakPolarHBondContact O-CG1 3.26Å; Y152-N161 PolarHBondContact O-N 3Å; Y152-M165 HydrophobicContact CD2-SD 4.08Å; Y152-M165 HydrophobicContact CE2-SD 4.31Å; Y152-H185 AromaticContact CD1-CD2 3.82Å; Y152-H185 AromaticContact CD1-CE1 3.8Å; Y152-H185 AromaticContact CD1-NE2 3.55Å; Y152-H185 HydrophobicContact CE1-CB 4.04Å; Y152-H185 AromaticContact CE1-CD2 3.19Å; Y152-H185 WeakPolarHBondContact CE1-CD2 3.34Å; Y152-H185 AromaticContact CE1-CE1 3.78Å; Y152-H185 AromaticContact CE1-CG 3.42Å; Y152-H185 VanDerWaalsContact CE1-CG 3.42Å; Y152-H185 AromaticContact CE1-ND1 3.82Å; Y152-H185 AromaticContact CE1-NE2 3.45Å; Y152-H185 WeakPolarHBondContact CE1-NE2 3.47Å; Y152-H185 AromaticContact CZ-CD2 3.42Å; Y152-H185 VanDerWaalsContact CZ-CD2 3.42Å; Y152-H185 AromaticContact CZ-CG 3.91Å; Y152-H185 AromaticContact CZ-NE2 3.98Å; Y152-T190 WeakPolarHBondContact CE1-O 3.21Å; Y152-T190 PolarHBondContact OH-O 3.28Å; Y152-L192 HydrophobicContact CE2-CD2 4.25Å; Y152-L192 HydrophobicContact CE2-CG 4.45Å
153W95.8Very high96.2Very high28 Ų2864.3 Ų64.311%0.10632%0.32CS..EExtended strand (participates in β ladder)trans-92.5135.4177.2175.6-108.5000111.5N130 P131 R158 T188 T190 Y354N130-W153 PolarHBondContact O-N 3.2Å; N130-W153 VanDerWaalsContact O-N 3.09Å; P131-W153 VanDerWaalsContact CD-CB 3.45Å; P131-W153 HydrophobicContact CG-CB 4.45Å; W153-R158 HydrophobicContact CH2-CB 3.41Å; W153-R158 VanDerWaalsContact CH2-CB 3.41Å; W153-R158 HydrophobicContact CH2-CG 4.01Å; W153-R158 VanDerWaalsContact CH2-O 3.29Å; W153-R158 WeakPolarHBondContact CH2-O 3.34Å; W153-R158 HydrophobicContact CZ2-CB 3.68Å; W153-R158 HydrophobicContact CZ2-CG 3.77Å; W153-R158 HydrophobicContact CZ3-CB 4.24Å; W153-R158 WeakPolarHBondContact CZ3-O 3.35Å; W153-T188 HydrophobicContact CB-CG2 4.03Å; W153-T188 HydrophobicContact CD2-CG2 4.28Å; W153-T188 HydrophobicContact CE3-CG2 4.14Å; W153-T188 HydrophobicContact CG-CG2 4.27Å; W153-T190 HydrophobicContact CE3-CG2 4.07Å; W153-T190 HydrophobicContact CZ3-CG2 3.55Å; W153-Y354 HydrophobicContact CD2-CD1 4.13Å; W153-Y354 AromaticContact CE2-CD1 3.75Å; W153-Y354 HydrophobicContact CG-CD1 4.37Å; W153-Y354 HydrophobicContact CZ2-CD1 4.01Å; W153-Y354 AromaticContact NE1-CD1 3.81Å
154D94.2Very high96.2Very high39 Ų3964.1 Ų64.121%0.20932%0.319CS..EExtended strand (participates in β ladder)trans-102.9110.3166.8173.99.5000109.7S156 S157 R158 K159 N161D154-S156 VanDerWaalsContact CG-OG 3.26Å; D154-S156 PolarHBondContact O-N 2.92Å; D154-S156 WeakPolarHBondContact OD1-CB 3.35Å; D154-S156 PolarHBondContact OD1-N 2.75Å; D154-S156 PolarHBondContact OD1-OG 3.32Å; D154-S156 PolarHBondContact OD2-OG 3.24Å; D154-S156 VanDerWaalsContact OD2-OG 3.11Å; D154-S157 WeakPolarHBondContact CB-OG 3.47Å; D154-S157 VanDerWaalsContact OD2-CB 3.29Å; D154-S157 WeakPolarHBondContact OD2-CB 3.43Å; D154-S157 PolarHBondContact OD2-N 3.48Å; D154-S157 PolarHBondContact OD2-OG 2.94Å; D154-R158 VanDerWaalsContact O-CA 3.23Å; D154-R158 WeakPolarHBondContact O-CA 3.37Å; D154-R158 PolarHBondContact O-N 2.81Å; D154-K159 PolarHBondContact N-O 3.1Å; D154-N161 HydrophobicContact CB-CB 4.14Å
155P89.8Confident96.3Very high95 Ų9553.3 Ų53.362%0.61728%0.278SS*.THydrogen-bonded Turntrans-58.7-30.6178.5-24.334000114.2
156S88.6Confident96.3Very high107 Ų10754.7 Ų54.775%0.74829%0.286SS*.THydrogen-bonded Turntrans-74.7-46.6-175.871.10000111.9D154D154-S156 VanDerWaalsContact CG-OG 3.26Å; D154-S156 PolarHBondContact O-N 2.92Å; D154-S156 WeakPolarHBondContact OD1-CB 3.35Å; D154-S156 PolarHBondContact OD1-N 2.75Å; D154-S156 PolarHBondContact OD1-OG 3.32Å; D154-S156 PolarHBondContact OD2-OG 3.24Å; D154-S156 VanDerWaalsContact OD2-OG 3.11Å
157S90.4Very high96.3Very high54 Ų5455 Ų5538%0.37829%0.285SS..THydrogen-bonded Turntrans-90-13.4178.667.10000113.8D154 K159D154-S157 WeakPolarHBondContact CB-OG 3.47Å; D154-S157 VanDerWaalsContact OD2-CB 3.29Å; D154-S157 WeakPolarHBondContact OD2-CB 3.43Å; D154-S157 PolarHBondContact OD2-N 3.48Å; D154-S157 PolarHBondContact OD2-OG 2.94Å; S157-K159 WeakPolarHBondContact O-CG 3.31Å; S157-K159 PolarHBondContact O-N 3.42Å
158R91.7Very high96.3Very high60 Ų6054.4 Ų54.423%0.22628%0.282CS..THydrogen-bonded Turntrans5438.2-173.6-62-173.1-173.1-174.72.9112.6W153 D154 H344 T355W153-R158 HydrophobicContact CH2-CB 3.41Å; W153-R158 VanDerWaalsContact CH2-CB 3.41Å; W153-R158 HydrophobicContact CH2-CG 4.01Å; W153-R158 VanDerWaalsContact CH2-O 3.29Å; W153-R158 WeakPolarHBondContact CH2-O 3.34Å; W153-R158 HydrophobicContact CZ2-CB 3.68Å; W153-R158 HydrophobicContact CZ2-CG 3.77Å; W153-R158 HydrophobicContact CZ3-CB 4.24Å; W153-R158 WeakPolarHBondContact CZ3-O 3.35Å; D154-R158 VanDerWaalsContact O-CA 3.23Å; D154-R158 WeakPolarHBondContact O-CA 3.37Å; D154-R158 PolarHBondContact O-N 2.81Å; R158-H344 HydrophobicContact CB-CB 4.03Å; R158-H344 PolarHBondContact NH1-CE1 3.28Å; R158-H344 PolarHBondContact NH1-NE2 2.99Å; R158-T355 PolarHBondContact NH1-O 2.86Å
159K92.4Very high96.3Very high131 Ų13150 Ų5057%0.5726%0.262SS*.EExtended strand (participates in β ladder)trans-134.7178.3-177.3-69.7175-173.5-1790110.4D154 S157 N161D154-K159 PolarHBondContact N-O 3.1Å; S157-K159 WeakPolarHBondContact O-CG 3.31Å; S157-K159 PolarHBondContact O-N 3.42Å; K159-N161 PolarHBondContact O-N 2.84Å
160V96.9Very high96.3Very high24 Ų2449 Ų4915%0.14526%0.26CS..EExtended strand (participates in β ladder)trans-71.6125.5174.2-179.20000111Y152 F162 L192Y152-V160 HydrophobicContact CD2-CG1 4.24Å; Y152-V160 HydrophobicContact CE1-CG2 4.21Å; Y152-V160 HydrophobicContact CE2-CG1 4.21Å; Y152-V160 CarbonylContact O-C 3.55Å; Y152-V160 WeakPolarHBondContact O-CA 3.43Å; Y152-V160 WeakPolarHBondContact O-CG1 3.26Å; V160-F162 HydrophobicContact CG1-CB 4.28Å; V160-F162 PolarHBondContact O-N 3.12Å; V160-L192 HydrophobicContact CB-CD2 4.36Å; V160-L192 HydrophobicContact CG1-CD2 3.63Å; V160-L192 HydrophobicContact CG2-CD2 4.33Å
161N98Very high96.3Very high47 Ų4755.9 Ų55.925%0.25129%0.29SS..  trans-77.470.7167-170.5-9.7000110.6R151 Y152 D154 K159 T163 G164 M165R151-N161 HydrophobicContact CB-CB 4.49Å; Y152-N161 PolarHBondContact O-N 3Å; D154-N161 HydrophobicContact CB-CB 4.14Å; K159-N161 PolarHBondContact O-N 2.84Å; N161-T163 PolarHBondContact O-N 3.41Å; N161-G164 PolarHBondContact O-N 2.92Å; N161-G164 WeakPolarHBondContact OD1-CA 3.35Å; N161-G164 PolarHBondContact OD1-N 3.19Å; N161-M165 PolarHBondContact O-N 2.84Å
162F98.6Very high96.3Very high21 Ų2152 Ų529%0.09228%0.276CS..Hα-helixtrans-66.3-37.3-172.6-172.1-113.9000112.9V160 M165 L166 L192 Q196 Q199V160-F162 HydrophobicContact CG1-CB 4.28Å; V160-F162 PolarHBondContact O-N 3.12Å; F162-M165 HydrophobicContact CD2-SD 4.28Å; F162-M165 HydrophobicContact CE2-SD 4.47Å; F162-M165 WeakPolarHBondContact O-CB 3.49Å; F162-M165 PolarHBondContact O-N 2.84Å; F162-L166 HydrophobicContact CD1-CD1 4.1Å; F162-L166 HydrophobicContact CD1-CG 4.46Å; F162-L166 HydrophobicContact CE1-CD1 3.52Å; F162-L166 HydrophobicContact CE1-CD2 4.43Å; F162-L166 HydrophobicContact CE1-CG 4.04Å; F162-L166 HydrophobicContact CE2-CD2 4.16Å; F162-L166 HydrophobicContact CE2-CG 4.28Å; F162-L166 HydrophobicContact CZ-CD1 3.8Å; F162-L166 HydrophobicContact CZ-CD2 3.85Å; F162-L166 HydrophobicContact CZ-CG 3.92Å; F162-L166 WeakPolarHBondContact O-CG 3.11Å; F162-L166 PolarHBondContact O-N 3.13Å; F162-L192 HydrophobicContact CD2-CD2 3.76Å; F162-L192 HydrophobicContact CE2-CD1 4.39Å; F162-L192 HydrophobicContact CE2-CD2 4.19Å; F162-Q196 HydrophobicContact CD1-CB 4.4Å; F162-Q196 HydrophobicContact CD1-CG 3.78Å; F162-Q196 HydrophobicContact CD2-CB 3.92Å; F162-Q196 HydrophobicContact CD2-CG 3.93Å; F162-Q196 HydrophobicContact CE1-CB 4.08Å; F162-Q196 HydrophobicContact CE1-CG 3.84Å; F162-Q196 HydrophobicContact CE2-CB 3.6Å; F162-Q196 HydrophobicContact CE2-CG 4.02Å; F162-Q196 HydrophobicContact CG-CB 4.32Å; F162-Q196 HydrophobicContact CG-CG 3.82Å; F162-Q196 HydrophobicContact CZ-CB 3.69Å; F162-Q196 HydrophobicContact CZ-CG 3.97Å; F162-Q196 WeakPolarHBondContact CZ-O 3.5Å; F162-Q199 HydrophobicContact CE1-CB 4.14Å; F162-Q199 HydrophobicContact CZ-CB 3.88Å
163T98.4Very high96.2Very high95 Ų9554.9 Ų54.958%0.58330%0.296SS*.Hα-helixtrans-60.9-47.6174.6-55.60000111N161 M165 L166 E167N161-T163 PolarHBondContact O-N 3.41Å; T163-M165 VanDerWaalsContact C-N 3.33Å; T163-M165 PolarHBondContact O-N 3.13Å; T163-L166 PolarHBondContact O-N 3.12Å; T163-E167 WeakPolarHBondContact O-CG 3.26Å; T163-E167 PolarHBondContact O-N 3.42Å
164G98.6Very high96.3Very high0 Ų059 Ų590%032%0.317CS..Hα-helixtrans-62.9-38.5176.900000113.1R151 N161 E167 D168R151-G164 PolarHBondContact NH2-O 3.16Å; N161-G164 PolarHBondContact O-N 2.92Å; N161-G164 WeakPolarHBondContact OD1-CA 3.35Å; N161-G164 PolarHBondContact OD1-N 3.19Å; G164-E167 PolarHBondContact O-N 3.09Å; G164-D168 PolarHBondContact O-N 2.74Å
165M98.8Very high96.5Very high1 Ų163.8 Ų63.81%0.00533%0.331CS..Hα-helixtrans-56.1-51.8174-178.8175.9-177.100111.5Y150 R151 Y152 N161 F162 T163 D168 L169 L180 L192 L200Y150-M165 HydrophobicContact CD2-CB 4.48Å; Y150-M165 HydrophobicContact CD2-CE 4.2Å; Y150-M165 HydrophobicContact CD2-CG 3.75Å; Y150-M165 HydrophobicContact CD2-SD 4.39Å; Y150-M165 HydrophobicContact CE2-CE 3.7Å; Y150-M165 HydrophobicContact CE2-CG 4.15Å; Y150-M165 HydrophobicContact CE2-SD 4.21Å; R151-M165 VanDerWaalsContact O-CA 3.24Å; R151-M165 WeakPolarHBondContact O-CA 3.49Å; R151-M165 VanDerWaalsContact O-CB 3.23Å; R151-M165 WeakPolarHBondContact O-CB 3.34Å; R151-M165 PolarHBondContact O-N 3.2Å; Y152-M165 HydrophobicContact CD2-SD 4.08Å; Y152-M165 HydrophobicContact CE2-SD 4.31Å; N161-M165 PolarHBondContact O-N 2.84Å; F162-M165 HydrophobicContact CD2-SD 4.28Å; F162-M165 HydrophobicContact CE2-SD 4.47Å; F162-M165 WeakPolarHBondContact O-CB 3.49Å; F162-M165 PolarHBondContact O-N 2.84Å; T163-M165 VanDerWaalsContact C-N 3.33Å; T163-M165 PolarHBondContact O-N 3.13Å; M165-D168 PolarHBondContact O-N 2.93Å; M165-L169 HydrophobicContact CE-CD1 3.89Å; M165-L169 HydrophobicContact CG-CD1 3.99Å; M165-L169 WeakPolarHBondContact O-CB 3.15Å; M165-L169 WeakPolarHBondContact O-CG 3.46Å; M165-L169 PolarHBondContact O-N 2.69Å; M165-L180 HydrophobicContact CE-CD2 4.15Å; M165-L192 HydrophobicContact CE-CD1 4.27Å; M165-L192 HydrophobicContact SD-CD1 4.21Å; M165-L192 HydrophobicContact SD-CD2 4.32Å; M165-L200 HydrophobicContact CE-CD1 3.74Å; M165-L200 HydrophobicContact CE-CD2 3.34Å; M165-L200 HydrophobicContact CE-CG 4.17Å
166L98.8Very high97Very high41 Ų4159.4 Ų59.422%0.21530%0.303CS..Hα-helixtrans-65.3-41.7-179.6-64.8-178.1000111.8F162 T163 D168 L169 N170 L200 L203F162-L166 HydrophobicContact CD1-CD1 4.1Å; F162-L166 HydrophobicContact CD1-CG 4.46Å; F162-L166 HydrophobicContact CE1-CD1 3.52Å; F162-L166 HydrophobicContact CE1-CD2 4.43Å; F162-L166 HydrophobicContact CE1-CG 4.04Å; F162-L166 HydrophobicContact CE2-CD2 4.16Å; F162-L166 HydrophobicContact CE2-CG 4.28Å; F162-L166 HydrophobicContact CZ-CD1 3.8Å; F162-L166 HydrophobicContact CZ-CD2 3.85Å; F162-L166 HydrophobicContact CZ-CG 3.92Å; F162-L166 WeakPolarHBondContact O-CG 3.11Å; F162-L166 PolarHBondContact O-N 3.13Å; T163-L166 PolarHBondContact O-N 3.12Å; L166-D168 VanDerWaalsContact C-N 3.33Å; L166-D168 PolarHBondContact O-N 2.87Å; L166-L169 PolarHBondContact O-N 2.91Å; L166-N170 WeakPolarHBondContact O-CB 3.45Å; L166-N170 PolarHBondContact O-N 3.24Å; L166-L200 HydrophobicContact CD2-CD1 4.23Å; L166-L203 HydrophobicContact CB-CD2 4.25Å; L166-L203 HydrophobicContact CD2-CD2 3.65Å
167E98.7Very high97.5Very high88 Ų8854.3 Ų54.341%0.41127%0.268SS..Hα-helixtrans-59-41.8176.9-76.8173.8-176.300113R151 T163 G164 K171R151-E167 IonicContact CZ-OE2 3.17Å; R151-E167 VanDerWaalsContact CZ-OE2 3.29Å; R151-E167 IonicContact NH1-OE2 2.73Å; R151-E167 PolarHBondContact NH1-OE2 3.47Å; R151-E167 IonicContact NH2-OE2 2.72Å; R151-E167 PolarHBondContact NH2-OE2 2.87Å; T163-E167 WeakPolarHBondContact O-CG 3.26Å; T163-E167 PolarHBondContact O-N 3.42Å; G164-E167 PolarHBondContact O-N 3.09Å; E167-K171 WeakPolarHBondContact O-CD 3.19Å; E167-K171 WeakPolarHBondContact O-CG 3.4Å
168D98.8Very high97.9Very high28 Ų2851.7 Ų51.715%0.1525%0.25CC..Hα-helixtrans-73.9-43-178.3-66.2-21.3000111.3R151 G164 M165 L166 K171R151-D168 WeakPolarHBondContact CB-OD2 3.32Å; R151-D168 WeakPolarHBondContact CG-OD2 3.49Å; R151-D168 IonicContact CZ-OD1 3.52Å; R151-D168 IonicContact CZ-OD2 3.53Å; R151-D168 PolarHBondContact N-OD2 3.11Å; R151-D168 IonicContact NE-OD1 2.66Å; R151-D168 PolarHBondContact NE-OD1 3.41Å; R151-D168 IonicContact NE-OD2 3.6Å; R151-D168 PolarHBondContact NE-OD2 2.74Å; R151-D168 IonicContact NH2-OD1 2.69Å; R151-D168 PolarHBondContact NH2-OD1 3.09Å; R151-D168 IonicContact NH2-OD2 3.86Å; G164-D168 PolarHBondContact O-N 2.74Å; M165-D168 PolarHBondContact O-N 2.93Å; L166-D168 VanDerWaalsContact C-N 3.33Å; L166-D168 PolarHBondContact O-N 2.87Å; D168-K171 PolarHBondContact O-N 2.87Å
169L98.8Very high98.2Very high0 Ų048.9 Ų48.90%024%0.239CC..Hα-helixtrans-71.1-30.4178.6-67.6178.3000112.6Y127 Y150 M165 L166 K171 A172 V178 L200 L203Y127-L169 HydrophobicContact CD1-CD2 3.93Å; Y127-L169 HydrophobicContact CG-CD2 4.08Å; Y150-L169 HydrophobicContact CD1-CD2 3.84Å; Y150-L169 HydrophobicContact CD1-CG 4.48Å; Y150-L169 HydrophobicContact CG-CD2 4.06Å; Y150-L169 HydrophobicContact CG-CG 4.24Å; M165-L169 HydrophobicContact CE-CD1 3.89Å; M165-L169 HydrophobicContact CG-CD1 3.99Å; M165-L169 WeakPolarHBondContact O-CB 3.15Å; M165-L169 WeakPolarHBondContact O-CG 3.46Å; M165-L169 PolarHBondContact O-N 2.69Å; L166-L169 PolarHBondContact O-N 2.91Å; L169-K171 PolarHBondContact O-N 2.89Å; L169-A172 WeakPolarHBondContact O-CB 3.27Å; L169-A172 PolarHBondContact O-N 3.04Å; L169-V178 HydrophobicContact CD1-CG1 4.3Å; L169-V178 HydrophobicContact CD2-CG1 3.94Å; L169-V178 HydrophobicContact CD2-CG2 4.03Å; L169-L200 HydrophobicContact CD1-CD1 3.58Å; L169-L203 HydrophobicContact CB-CD2 3.92Å
170N98.5Very high98.5Very high76 Ų7642.8 Ų42.841%0.40621%0.212SC..Hα-helixtrans-63.9-24.4174-173.140000112.7L166 L203 K207L166-N170 WeakPolarHBondContact O-CB 3.45Å; L166-N170 PolarHBondContact O-N 3.24Å; N170-L203 HydrophobicContact CB-CD1 4.1Å; N170-K207 VanDerWaalsContact O-CE 3.23Å; N170-K207 WeakPolarHBondContact O-CE 3.13Å; N170-K207 PolarHBondContact O-NZ 3.25Å
171K98.4Very high98.6Very high148 Ų14842 Ų4264%0.64321%0.207SC*.THydrogen-bonded Turntrans-86.6-6.8175.1-63166.6-170.1166.20112.9E167 D168 L169E167-K171 WeakPolarHBondContact O-CD 3.19Å; E167-K171 WeakPolarHBondContact O-CG 3.4Å; D168-K171 PolarHBondContact O-N 2.87Å; L169-K171 PolarHBondContact O-N 2.89Å
172A98.6Very high98.6Very high3 Ų339.9 Ų39.93%0.02520%0.197CC..SBendtrans-65.2139.1179.200000110.7Y127 L169 A176 L209Y127-A172 HydrophobicContact CD2-CB 4.07Å; Y127-A172 HydrophobicContact CE1-CB 4.24Å; Y127-A172 HydrophobicContact CE2-CB 3.5Å; Y127-A172 WeakPolarHBondContact OH-CA 3.35Å; L169-A172 WeakPolarHBondContact O-CB 3.27Å; L169-A172 PolarHBondContact O-N 3.04Å; A172-A176 HydrophobicContact CB-CB 4.21Å; A172-L209 HydrophobicContact CB-CD1 4.01Å; A172-L209 HydrophobicContact CB-CD2 3.83Å
173P98.1Very high98.6Very high67 Ų6739.2 Ų39.244%0.43519%0.194SC..PPolyproline II helixtrans-68.2154.1174.729.4-33.3000110.5R175 A176 L209P173-R175 PolarHBondContact O-N 3.33Å; P173-A176 HydrophobicContact CG-CB 4.19Å; P173-A176 VanDerWaalsContact O-CB 3.28Å; P173-A176 WeakPolarHBondContact O-CB 3.48Å; P173-A176 PolarHBondContact O-N 3.15Å; P173-A176 VanDerWaalsContact O-N 3.09Å; P173-L209 VanDerWaalsContact O-CD2 3.3Å; P173-L209 WeakPolarHBondContact O-CD2 3.41Å
174E98.1Very high98.6Very high115 Ų11534.9 Ų34.954%0.53717%0.168SC..THydrogen-bonded Turntrans-49.9140.8173.7-156.9179.4132.100110.4A176 K208E174-A176 PolarHBondContact O-N 3.39Å; E174-K208 VanDerWaalsContact CD-NZ 3.31Å; E174-K208 HydrophobicContact CG-CB 3.78Å; E174-K208 HydrophobicContact CG-CD 3.71Å; E174-K208 HydrophobicContact CG-CG 4.41Å; E174-K208 WeakPolarHBondContact OE1-CD 3.45Å; E174-K208 IonicContact OE1-NZ 3.42Å; E174-K208 PolarHBondContact OE1-NZ 3.42Å; E174-K208 VanDerWaalsContact OE1-NZ 3.08Å; E174-K208 IonicContact OE2-NZ 3.08Å; E174-K208 PolarHBondContact OE2-NZ 3.38Å
175R98.1Very high98.6Very high138 Ų13835 Ų3552%0.52117%0.168SC..THydrogen-bonded Turntrans66.310.6-178.4-47.8172.757.4161.11.4115.7S121 C123 P173 K208S121-R175 PolarHBondContact O-NH2 3.47Å; C123-R175 PolarHBondContact SG-O 2.78Å; C123-R175 VanDerWaalsContact SG-O 3.33Å; P173-R175 PolarHBondContact O-N 3.33Å; R175-K208 WeakPolarHBondContact CA-O 3.31Å; R175-K208 PolarHBondContact N-O 2.94Å
176A98.8Very high98.5Very high3 Ų335.4 Ų35.43%0.02517%0.171CC..  trans-62.5142168.600000110.3Y127 A172 P173 E174 L209 F210Y127-A176 HydrophobicContact CD2-CB 3.93Å; Y127-A176 HydrophobicContact CE2-CB 3.97Å; A172-A176 HydrophobicContact CB-CB 4.21Å; P173-A176 HydrophobicContact CG-CB 4.19Å; P173-A176 VanDerWaalsContact O-CB 3.28Å; P173-A176 WeakPolarHBondContact O-CB 3.48Å; P173-A176 PolarHBondContact O-N 3.15Å; P173-A176 VanDerWaalsContact O-N 3.09Å; E174-A176 PolarHBondContact O-N 3.39Å; A176-L209 HydrophobicContact CB-CD2 4.14Å; A176-F210 PolarHBondContact O-N 2.77Å
177I98.9Very high98.4Very high0 Ų033.5 Ų33.50%016%0.161CC..EExtended strand (participates in β ladder)trans-80.5134.5177-52.5170.1000107.8L114 L117 C123 T125 V126 Y127 L145 F210 V212L114-I177 HydrophobicContact CD2-CD1 4.16Å; L114-I177 HydrophobicContact CD2-CG2 3.9Å; L117-I177 HydrophobicContact CB-CD1 3.51Å; L117-I177 HydrophobicContact CB-CG1 4.17Å; L117-I177 HydrophobicContact CD1-CD1 3.84Å; L117-I177 HydrophobicContact CD1-CG1 3.95Å; L117-I177 HydrophobicContact CD1-CG2 3.91Å; L117-I177 HydrophobicContact CG-CD1 4.28Å; C123-I177 HydrophobicContact CB-CD1 3.8Å; C123-I177 HydrophobicContact CB-CG1 3.81Å; T125-I177 PolarHBondContact O-N 3.18Å; V126-I177 CarbonylContact C-O 3.57Å; V126-I177 WeakPolarHBondContact CA-O 3.4Å; V126-I177 HydrophobicContact CB-CB 4.17Å; V126-I177 HydrophobicContact CG2-CB 4.03Å; V126-I177 HydrophobicContact CG2-CG2 4.08Å; Y127-I177 PolarHBondContact N-O 2.88Å; L145-I177 HydrophobicContact CD1-CD1 3.85Å; L145-I177 HydrophobicContact CD2-CD1 4.04Å; I177-F210 WeakPolarHBondContact CA-O 3.43Å; I177-V212 HydrophobicContact CG2-CB 4.37Å; I177-V212 HydrophobicContact CG2-CG2 3.57Å
178V99Very high98.4Very high0 Ų029.3 Ų29.30%014%0.141CC..EExtended strand (participates in β ladder)trans-120.3113173.8-172.70000108.6Y150 L169 L180 I204 L209 F210 V212Y150-V178 HydrophobicContact CE1-CG1 4.09Å; L169-V178 HydrophobicContact CD1-CG1 4.3Å; L169-V178 HydrophobicContact CD2-CG1 3.94Å; L169-V178 HydrophobicContact CD2-CG2 4.03Å; V178-L180 HydrophobicContact CG1-CD2 3.73Å; V178-L180 HydrophobicContact CG1-CG 4.06Å; V178-I204 HydrophobicContact CG1-CD1 4.47Å; V178-L209 HydrophobicContact CG2-CB 3.87Å; V178-L209 HydrophobicContact CG2-CD1 3.8Å; V178-L209 HydrophobicContact CG2-CG 4.41Å; V178-F210 PolarHBondContact N-O 3.25Å; V178-V212 PolarHBondContact O-N 2.66Å
179I98.9Very high98.3Very high1 Ų128 Ų281%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-82.2118.8176-56.5-178.2000108.7L114 V126 Y127 I128 H136 Y150 V212L114-I179 HydrophobicContact CD1-CD1 4.05Å; L114-I179 HydrophobicContact CD2-CD1 4.24Å; L114-I179 HydrophobicContact CD2-CG1 4.49Å; V126-I179 HydrophobicContact CG2-CD1 3.85Å; V126-I179 HydrophobicContact CG2-CG1 3.84Å; Y127-I179 PolarHBondContact O-N 3.34Å; I128-I179 HydrophobicContact CG1-CD1 4.18Å; H136-I179 HydrophobicContact CB-CD1 4.25Å; H136-I179 VanDerWaalsContact CE1-CG2 3.5Å; H136-I179 WeakPolarHBondContact CE1-CG2 3.23Å; Y150-I179 PolarHBondContact OH-O 3.11Å; I179-V212 CarbonylContact C-O 3.54Å; I179-V212 WeakPolarHBondContact CA-O 3.29Å
180L98.9Very high98.2Very high2 Ų228.7 Ų28.71%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-116.3130.4-177-62.3171.3000109.9M165 V178 A182 W197 L200 I204 P211 V212 F213 D214 F235M165-L180 HydrophobicContact CE-CD2 4.15Å; V178-L180 HydrophobicContact CG1-CD2 3.73Å; V178-L180 HydrophobicContact CG1-CG 4.06Å; L180-A182 PolarHBondContact O-N 2.78Å; L180-W197 HydrophobicContact CB-CH2 4.37Å; L180-W197 HydrophobicContact CD1-CZ3 4.28Å; L180-W197 HydrophobicContact CD2-CZ3 4.47Å; L180-L200 HydrophobicContact CD2-CD2 3.91Å; L180-I204 HydrophobicContact CD1-CD1 3.74Å; L180-P211 HydrophobicContact CD1-CB 4.02Å; L180-V212 PolarHBondContact N-O 3.38Å; L180-F213 HydrophobicContact CB-CD1 3.85Å; L180-F213 HydrophobicContact CB-CE1 3.91Å; L180-F213 HydrophobicContact CB-CG 4.49Å; L180-F213 HydrophobicContact CD1-CE1 3.98Å; L180-F213 HydrophobicContact CD1-CE2 4.34Å; L180-F213 HydrophobicContact CD1-CZ 3.86Å; L180-F213 CarbonylContact O-C 3.57Å; L180-F213 VanDerWaalsContact O-CA 3.27Å; L180-F213 WeakPolarHBondContact O-CA 3.17Å; L180-D214 PolarHBondContact O-N 2.66Å; L180-F235 HydrophobicContact CD1-CE1 4.08Å; L180-F235 HydrophobicContact CD1-CZ 4.05Å
181H98.9Very high98.1Very high7 Ų727.3 Ų27.33%0.03213%0.131CC..EExtended strand (participates in β ladder)trans-78.1121.5169.4-64.6-116.3000107.7S132 H136 C183 H185 N186 W197S132-H181 PolarHBondContact OG-NE2 2.79Å; S132-H181 VanDerWaalsContact OG-NE2 3.16Å; H136-H181 AromaticContact CE1-CE1 3.9Å; H136-H181 AromaticContact CE1-NE2 3.71Å; H136-H181 AromaticContact ND1-NE2 3.9Å; H181-C183 VanDerWaalsContact C-N 3.32Å; H181-C183 PolarHBondContact O-N 2.68Å; H181-H185 HydrophobicContact CB-CB 4.38Å; H181-H185 AromaticContact CD2-CD2 3.42Å; H181-H185 PolarHBondContact CD2-CD2 3.17Å; H181-H185 VanDerWaalsContact CD2-CD2 3.42Å; H181-H185 AromaticContact CD2-NE2 3.56Å; H181-H185 AromaticContact CG-CD2 3.53Å; H181-H185 AromaticContact NE2-CD2 3.9Å; H181-H185 AromaticContact NE2-NE2 3.66Å; H181-N186 PolarHBondContact CE1-O 3.45Å; H181-N186 PolarHBondContact ND1-N 2.62Å; H181-W197 WeakPolarHBondContact O-CH2 3.47Å; H181-W197 WeakPolarHBondContact O-CZ2 3.45Å
182A98.3Very high98.1Very high4 Ų420.7 Ų20.73%0.03310%0.103CC..SBendtrans-64.6-37.9-175.200000112.7L180 F213 D214 M215 V232L180-A182 PolarHBondContact O-N 2.78Å; A182-F213 HydrophobicContact CB-CD1 4.07Å; A182-D214 PolarHBondContact N-O 2.81Å; A182-M215 HydrophobicContact CB-CB 3.92Å; A182-M215 HydrophobicContact CB-CE 4.44Å; A182-M215 HydrophobicContact CB-CG 3.84Å; A182-V232 HydrophobicContact CB-CG2 4.09Å
183C98.2Very high98.1Very high7 Ų723.2 Ų23.25%0.04712%0.12CC..SBendtrans-165.716717458.30000109.1H181 D191 A221 D228H181-C183 VanDerWaalsContact C-N 3.32Å; H181-C183 PolarHBondContact O-N 2.68Å; C183-D191 WeakPolarHBondContact CA-OD2 3.36Å; C183-A221 HydrophobicContact CB-CB 3.85Å; C183-D228 HydrophobicContact CB-CB 4.34Å; C183-D228 PolarHBondContact SG-O 3.43Å; C183-D228 VanDerWaalsContact SG-O 3.35Å
184A97.9Very high98Very high3 Ų323.7 Ų23.73%0.02512%0.117CC..SBendtrans4862.2-178.200000112.2N186 D191 Y217 A221A184-N186 PolarHBondContact O-N 3.36Å; A184-D191 WeakPolarHBondContact CA-OD1 3.47Å; A184-D191 PolarHBondContact N-OD1 3.42Å; A184-D191 PolarHBondContact N-OD2 3.34Å; A184-Y217 HydrophobicContact CB-CD2 4.17Å; A184-Y217 HydrophobicContact CB-CG 3.97Å; A184-Y217 WeakPolarHBondContact O-CD2 3.43Å; A184-A221 HydrophobicContact CB-CB 4.07Å
185H98.6Very high98.1Very high2 Ų222.8 Ų22.81%0.00912%0.115CC..  trans-46.8129.7-178.4-174.5-79.4000112S129 P131 Y152 H181 P187 T188 G189 T190 D191S129-H185 PolarHBondContact OG-NE2 3.49Å; P131-H185 PolarHBondContact O-CE1 2.88Å; Y152-H185 AromaticContact CD1-CD2 3.82Å; Y152-H185 AromaticContact CD1-CE1 3.8Å; Y152-H185 AromaticContact CD1-NE2 3.55Å; Y152-H185 HydrophobicContact CE1-CB 4.04Å; Y152-H185 AromaticContact CE1-CD2 3.19Å; Y152-H185 WeakPolarHBondContact CE1-CD2 3.34Å; Y152-H185 AromaticContact CE1-CE1 3.78Å; Y152-H185 AromaticContact CE1-CG 3.42Å; Y152-H185 VanDerWaalsContact CE1-CG 3.42Å; Y152-H185 AromaticContact CE1-ND1 3.82Å; Y152-H185 AromaticContact CE1-NE2 3.45Å; Y152-H185 WeakPolarHBondContact CE1-NE2 3.47Å; Y152-H185 AromaticContact CZ-CD2 3.42Å; Y152-H185 VanDerWaalsContact CZ-CD2 3.42Å; Y152-H185 AromaticContact CZ-CG 3.91Å; Y152-H185 AromaticContact CZ-NE2 3.98Å; H181-H185 HydrophobicContact CB-CB 4.38Å; H181-H185 AromaticContact CD2-CD2 3.42Å; H181-H185 PolarHBondContact CD2-CD2 3.17Å; H181-H185 VanDerWaalsContact CD2-CD2 3.42Å; H181-H185 AromaticContact CD2-NE2 3.56Å; H181-H185 AromaticContact CG-CD2 3.53Å; H181-H185 AromaticContact NE2-CD2 3.9Å; H181-H185 AromaticContact NE2-NE2 3.66Å; H185-P187 CarbonylContact O-C 3.4Å; H185-T188 PolarHBondContact ND1-N 3.32Å; H185-T188 PolarHBondContact ND1-OG1 3.04Å; H185-T188 VanDerWaalsContact ND1-OG1 3.15Å; H185-T188 PolarHBondContact O-N 3.47Å; H185-G189 WeakPolarHBondContact O-CA 3.32Å; H185-G189 PolarHBondContact O-N 3.28Å; H185-T190 WeakPolarHBondContact CB-O 3.4Å; H185-D191 PolarHBondContact N-OD1 3.42Å
186N97.8Very high98.1Very high10 Ų1018.4 Ų18.45%0.05310%0.101CC..THydrogen-bonded Turntrans-106.9116.7173.8177.18.3000108.5S132 W133 H181 A184 Y217 F352 R378S132-N186 CarbonylContact C-O 3.45Å; S132-N186 VanDerWaalsContact C-O 3.32Å; S132-N186 WeakPolarHBondContact CA-O 3.06Å; W133-N186 PolarHBondContact N-O 3Å; H181-N186 PolarHBondContact CE1-O 3.45Å; H181-N186 PolarHBondContact ND1-N 2.62Å; A184-N186 PolarHBondContact O-N 3.36Å; N186-Y217 HydrophobicContact CB-CE2 4.01Å; N186-Y217 PolarHBondContact ND2-OH 3.26Å; N186-F352 HydrophobicContact CB-CD2 4.16Å; N186-F352 HydrophobicContact CB-CE2 4.05Å; N186-R378 PolarHBondContact OD1-NH1 3Å
187P96.9Very high98.1Very high2 Ų219 Ų191%0.01310%0.102CC..THydrogen-bonded Turncis-100.9-7.621.138.4-38.8000116.5P131 H185 G189 F352 Y354 R378P131-P187 HydrophobicContact CB-CG 4Å; P131-P187 HydrophobicContact CG-CG 3.73Å; H185-P187 CarbonylContact O-C 3.4Å; P187-G189 PolarHBondContact O-N 3.15Å; P187-F352 WeakPolarHBondContact O-CB 3.36Å; P187-Y354 HydrophobicContact CB-CD2 3.9Å; P187-Y354 HydrophobicContact CB-CE2 3.52Å; P187-Y354 HydrophobicContact CG-CD2 4.04Å; P187-Y354 HydrophobicContact CG-CE2 3.41Å; P187-Y354 VanDerWaalsContact CG-CE2 3.41Å; P187-R378 HydrophobicContact CB-CB 4.22Å; P187-R378 VanDerWaalsContact CB-CD 3.45Å; P187-R378 HydrophobicContact CB-CG 3.89Å
188T97.4Very high98.1Very high0 Ų023.3 Ų23.30%012%0.121CC..THydrogen-bonded Turntrans-80.6-24.2-157.970.10000114.3P131 W153 H185 T190 Q348 Y354P131-T188 HydrophobicContact CG-CG2 3.71Å; W153-T188 HydrophobicContact CB-CG2 4.03Å; W153-T188 HydrophobicContact CD2-CG2 4.28Å; W153-T188 HydrophobicContact CE3-CG2 4.14Å; W153-T188 HydrophobicContact CG-CG2 4.27Å; H185-T188 PolarHBondContact ND1-N 3.32Å; H185-T188 PolarHBondContact ND1-OG1 3.04Å; H185-T188 VanDerWaalsContact ND1-OG1 3.15Å; H185-T188 PolarHBondContact O-N 3.47Å; T188-T190 PolarHBondContact O-N 3.39Å; T188-T190 PolarHBondContact OG1-N 3.18Å; T188-T190 PolarHBondContact OG1-OG1 3.11Å; T188-Q348 WeakPolarHBondContact O-CG 3.46Å; T188-Q348 PolarHBondContact O-NE2 2.84Å; T188-Q348 PolarHBondContact O-OE1 3.5Å; T188-Y354 HydrophobicContact CG2-CD1 4.12Å; T188-Y354 HydrophobicContact CG2-CE1 4.43Å; T188-Y354 HydrophobicContact CG2-CG 4.32Å
189G97.2Very high98.1Very high0 Ų028.1 Ų28.10%014%0.144CC..  trans65.88.7-168.300000113.7H185 P187 Q348 V349H185-G189 WeakPolarHBondContact O-CA 3.32Å; H185-G189 PolarHBondContact O-N 3.28Å; P187-G189 PolarHBondContact O-N 3.15Å; G189-Q348 CarbonylContact O-C 3.58Å; G189-Q348 WeakPolarHBondContact O-CA 3.39Å; G189-Q348 WeakPolarHBondContact O-CB 3.41Å; G189-V349 WeakPolarHBondContact CA-O 3.48Å; G189-V349 WeakPolarHBondContact O-CG2 3.16Å; G189-V349 PolarHBondContact O-N 3.24Å
190T96.6Very high98.1Very high14 Ų1428 Ų289%0.08614%0.143CC..PPolyproline II helixtrans-98.7119.2176.755.80000110.4Y152 W153 H185 T188 Q348Y152-T190 WeakPolarHBondContact CE1-O 3.21Å; Y152-T190 PolarHBondContact OH-O 3.28Å; W153-T190 HydrophobicContact CE3-CG2 4.07Å; W153-T190 HydrophobicContact CZ3-CG2 3.55Å; H185-T190 WeakPolarHBondContact CB-O 3.4Å; T188-T190 PolarHBondContact O-N 3.39Å; T188-T190 PolarHBondContact OG1-N 3.18Å; T188-T190 PolarHBondContact OG1-OG1 3.11Å; T190-Q348 HydrophobicContact CG2-CG 3.66Å
191D97.4Very high98.1Very high47 Ų4728 Ų2825%0.25114%0.143SC..PPolyproline II helixtrans-100.8159.6177.5-73.2-6.4000111.9C183 A184 H185 V349C183-D191 WeakPolarHBondContact CA-OD2 3.36Å; A184-D191 WeakPolarHBondContact CA-OD1 3.47Å; A184-D191 PolarHBondContact N-OD1 3.42Å; A184-D191 PolarHBondContact N-OD2 3.34Å; H185-D191 PolarHBondContact N-OD1 3.42Å; D191-V349 HydrophobicContact CB-CG2 4.25Å; D191-V349 VanDerWaalsContact OD2-CG2 3.29Å; D191-V349 WeakPolarHBondContact OD2-CG2 3.43Å
192L98.2Very high98.1Very high9 Ų932.4 Ų32.45%0.04717%0.167CC..PPolyproline II helixtrans-73.3144.2170.3-59.2-179.8000110.6Y152 V160 F162 M165 Q196 W197 L200Y152-L192 HydrophobicContact CE2-CD2 4.25Å; Y152-L192 HydrophobicContact CE2-CG 4.45Å; V160-L192 HydrophobicContact CB-CD2 4.36Å; V160-L192 HydrophobicContact CG1-CD2 3.63Å; V160-L192 HydrophobicContact CG2-CD2 4.33Å; F162-L192 HydrophobicContact CD2-CD2 3.76Å; F162-L192 HydrophobicContact CE2-CD1 4.39Å; F162-L192 HydrophobicContact CE2-CD2 4.19Å; M165-L192 HydrophobicContact CE-CD1 4.27Å; M165-L192 HydrophobicContact SD-CD1 4.21Å; M165-L192 HydrophobicContact SD-CD2 4.32Å; L192-Q196 HydrophobicContact CB-CB 3.95Å; L192-Q196 HydrophobicContact CD2-CB 4.25Å; L192-W197 HydrophobicContact CB-CD2 4.05Å; L192-W197 HydrophobicContact CB-CG 4.06Å; L192-W197 HydrophobicContact CB-CZ2 4.31Å; L192-W197 HydrophobicContact CD1-CD2 3.86Å; L192-W197 HydrophobicContact CD1-CE3 3.88Å; L192-W197 HydrophobicContact CD1-CG 4.48Å; L192-W197 HydrophobicContact CD1-CH2 4.09Å; L192-W197 HydrophobicContact CD1-CZ2 4.09Å; L192-W197 HydrophobicContact CD1-CZ3 3.99Å; L192-W197 HydrophobicContact CG-CD2 4.5Å; L192-W197 HydrophobicContact CG-CZ2 4.36Å; L192-W197 PolarHBondContact O-NE1 3.2Å; L192-L200 HydrophobicContact CD1-CD2 3.8Å
193S97.2Very high98.1Very high57 Ų5733.1 Ų33.140%0.39917%0.17SC..PPolyproline II helixtrans-68.7163.5167.778.50000111.3D195 Q196 W197S193-D195 PolarHBondContact O-N 3.11Å; S193-D195 PolarHBondContact OG-N 2.82Å; S193-Q196 WeakPolarHBondContact O-CB 3.4Å; S193-Q196 PolarHBondContact O-N 3.5Å; S193-Q196 VanDerWaalsContact O-N 3.15Å; S193-Q196 WeakPolarHBondContact OG-CG 3.37Å; S193-Q196 PolarHBondContact OG-N 3.19Å; S193-W197 VanDerWaalsContact O-CD1 3.31Å; S193-W197 PolarHBondContact O-N 2.73Å
194H97.7Very high98.1Very high76 Ų7632.8 Ų32.835%0.35217%0.167SC..Hα-helixtrans-57.2-36.9175.7-72-179.9000112.8W197 K198 W230H194-W197 PolarHBondContact O-N 2.96Å; H194-K198 WeakPolarHBondContact O-CG 3.42Å; H194-K198 PolarHBondContact O-N 2.79Å; H194-W230 HydrophobicContact CB-CE3 4.45Å; H194-W230 HydrophobicContact CB-CH2 3.67Å; H194-W230 HydrophobicContact CB-CZ2 4.1Å; H194-W230 HydrophobicContact CB-CZ3 3.87Å; H194-W230 AromaticContact CD2-CD2 3.74Å; H194-W230 AromaticContact CD2-CE3 3.45Å; H194-W230 VanDerWaalsContact CD2-CE3 3.45Å; H194-W230 AromaticContact CD2-CZ3 3.74Å; H194-W230 AromaticContact CE1-CD2 3.94Å; H194-W230 AromaticContact CG-CE3 3.92Å; H194-W230 AromaticContact CG-CH2 3.89Å; H194-W230 AromaticContact CG-CZ3 3.85Å; H194-W230 AromaticContact ND1-CE2 3.97Å; H194-W230 AromaticContact NE2-CD2 3.68Å; H194-W230 AromaticContact NE2-CE3 3.83Å; H194-W230 AromaticContact NE2-CG 3.83Å
195D98.6Very high98.1Very high96 Ų9637 Ų3751%0.51319%0.186SC..Hα-helixtrans-74.1-31.3179-66.4-31.1000112.7S193 K198 Q199S193-D195 PolarHBondContact O-N 3.11Å; S193-D195 PolarHBondContact OG-N 2.82Å; D195-K198 IonicContact OD1-NZ 3.38Å; D195-K198 PolarHBondContact OD1-NZ 3.13Å; D195-Q199 WeakPolarHBondContact O-CG 3.24Å; D195-Q199 PolarHBondContact O-N 3.11Å; D195-Q199 PolarHBondContact O-NE2 3.29Å; D195-Q199 VanDerWaalsContact O-NE2 3.13Å
196Q98.7Very high98.1Very high47 Ų4743.8 Ų43.822%0.2222%0.218CC..Hα-helixtrans-67.8-42.9170.7-73.7175.4-33.400111F162 L192 S193 K198 Q199 L200F162-Q196 HydrophobicContact CD1-CB 4.4Å; F162-Q196 HydrophobicContact CD1-CG 3.78Å; F162-Q196 HydrophobicContact CD2-CB 3.92Å; F162-Q196 HydrophobicContact CD2-CG 3.93Å; F162-Q196 HydrophobicContact CE1-CB 4.08Å; F162-Q196 HydrophobicContact CE1-CG 3.84Å; F162-Q196 HydrophobicContact CE2-CB 3.6Å; F162-Q196 HydrophobicContact CE2-CG 4.02Å; F162-Q196 HydrophobicContact CG-CB 4.32Å; F162-Q196 HydrophobicContact CG-CG 3.82Å; F162-Q196 HydrophobicContact CZ-CB 3.69Å; F162-Q196 HydrophobicContact CZ-CG 3.97Å; F162-Q196 WeakPolarHBondContact CZ-O 3.5Å; L192-Q196 HydrophobicContact CB-CB 3.95Å; L192-Q196 HydrophobicContact CD2-CB 4.25Å; S193-Q196 WeakPolarHBondContact O-CB 3.4Å; S193-Q196 PolarHBondContact O-N 3.5Å; S193-Q196 VanDerWaalsContact O-N 3.15Å; S193-Q196 WeakPolarHBondContact OG-CG 3.37Å; S193-Q196 PolarHBondContact OG-N 3.19Å; Q196-K198 PolarHBondContact O-N 2.78Å; Q196-Q199 PolarHBondContact O-N 2.76Å; Q196-L200 WeakPolarHBondContact O-CB 3.13Å; Q196-L200 PolarHBondContact O-N 2.92Å
197W98.8Very high98.2Very high14 Ų1446.1 Ų46.15%0.05323%0.228CC..Hα-helixtrans-60-41.2174.2-83.7122.8000112.9L180 H181 L192 S193 H194 L200 A201 F213 W230 A231 L234 F235L180-W197 HydrophobicContact CB-CH2 4.37Å; L180-W197 HydrophobicContact CD1-CZ3 4.28Å; L180-W197 HydrophobicContact CD2-CZ3 4.47Å; H181-W197 WeakPolarHBondContact O-CH2 3.47Å; H181-W197 WeakPolarHBondContact O-CZ2 3.45Å; L192-W197 HydrophobicContact CB-CD2 4.05Å; L192-W197 HydrophobicContact CB-CG 4.06Å; L192-W197 HydrophobicContact CB-CZ2 4.31Å; L192-W197 HydrophobicContact CD1-CD2 3.86Å; L192-W197 HydrophobicContact CD1-CE3 3.88Å; L192-W197 HydrophobicContact CD1-CG 4.48Å; L192-W197 HydrophobicContact CD1-CH2 4.09Å; L192-W197 HydrophobicContact CD1-CZ2 4.09Å; L192-W197 HydrophobicContact CD1-CZ3 3.99Å; L192-W197 HydrophobicContact CG-CD2 4.5Å; L192-W197 HydrophobicContact CG-CZ2 4.36Å; L192-W197 PolarHBondContact O-NE1 3.2Å; S193-W197 VanDerWaalsContact O-CD1 3.31Å; S193-W197 PolarHBondContact O-N 2.73Å; H194-W197 PolarHBondContact O-N 2.96Å; W197-L200 HydrophobicContact CE3-CD2 3.85Å; W197-L200 HydrophobicContact CZ3-CD2 3.65Å; W197-L200 PolarHBondContact O-N 2.69Å; W197-A201 WeakPolarHBondContact O-CB 3.29Å; W197-A201 PolarHBondContact O-N 3.03Å; W197-F213 HydrophobicContact CH2-CE1 4.11Å; W197-F213 HydrophobicContact CZ3-CE1 4Å; W197-F213 HydrophobicContact CZ3-CZ 4.49Å; W197-W230 HydrophobicContact CB-CE3 4.5Å; W197-W230 HydrophobicContact CB-CZ3 3.66Å; W197-W230 HydrophobicContact CG-CZ3 4.26Å; W197-A231 HydrophobicContact CD2-CB 3.63Å; W197-A231 HydrophobicContact CE3-CB 3.98Å; W197-A231 HydrophobicContact CG-CB 4.09Å; W197-A231 HydrophobicContact CH2-CB 4.24Å; W197-A231 HydrophobicContact CZ2-CB 3.9Å; W197-A231 HydrophobicContact CZ3-CB 4.27Å; W197-L234 HydrophobicContact CB-CD2 4.1Å; W197-F235 HydrophobicContact CE3-CE2 4.13Å
198K98.8Very high98.2Very high92 Ų9251.8 Ų51.840%0.425%0.252SS..Hα-helixtrans-59.1-48.3174.2-70.7169.8-163.1160.20111.9H194 D195 Q196 L200 A201 L202 W230 L234H194-K198 WeakPolarHBondContact O-CG 3.42Å; H194-K198 PolarHBondContact O-N 2.79Å; D195-K198 IonicContact OD1-NZ 3.38Å; D195-K198 PolarHBondContact OD1-NZ 3.13Å; Q196-K198 PolarHBondContact O-N 2.78Å; K198-L200 VanDerWaalsContact C-N 3.34Å; K198-L200 PolarHBondContact O-N 3.07Å; K198-A201 PolarHBondContact O-N 3.47Å; K198-L202 WeakPolarHBondContact O-CG 3.22Å; K198-L202 PolarHBondContact O-N 3.26Å; K198-L202 VanDerWaalsContact O-N 3.09Å; K198-W230 HydrophobicContact CG-CH2 4.15Å; K198-L234 HydrophobicContact CG-CD1 4.48Å; K198-L234 HydrophobicContact CG-CD2 4.22Å
199Q98.8Very high98.3Very high100 Ų10052.3 Ų52.347%0.46726%0.255SS..Hα-helixtrans-62.5-42.1178.2-74.6171.974.600111.8F162 D195 Q196 L202 L203F162-Q199 HydrophobicContact CE1-CB 4.14Å; F162-Q199 HydrophobicContact CZ-CB 3.88Å; D195-Q199 WeakPolarHBondContact O-CG 3.24Å; D195-Q199 PolarHBondContact O-N 3.11Å; D195-Q199 PolarHBondContact O-NE2 3.29Å; D195-Q199 VanDerWaalsContact O-NE2 3.13Å; Q196-Q199 PolarHBondContact O-N 2.76Å; Q199-L202 PolarHBondContact O-N 3.4Å; Q199-L203 PolarHBondContact O-N 3.2Å; Q199-L203 VanDerWaalsContact O-N 3.08Å
200L98.9Very high98.4Very high0 Ų054.2 Ų54.20%026%0.263CS..Hα-helixtrans-64.8-41.3176.6-179.663.3000112.2M165 L166 L169 L180 L192 Q196 W197 K198 L203 I204M165-L200 HydrophobicContact CE-CD1 3.74Å; M165-L200 HydrophobicContact CE-CD2 3.34Å; M165-L200 HydrophobicContact CE-CG 4.17Å; L166-L200 HydrophobicContact CD2-CD1 4.23Å; L169-L200 HydrophobicContact CD1-CD1 3.58Å; L180-L200 HydrophobicContact CD2-CD2 3.91Å; L192-L200 HydrophobicContact CD1-CD2 3.8Å; Q196-L200 WeakPolarHBondContact O-CB 3.13Å; Q196-L200 PolarHBondContact O-N 2.92Å; W197-L200 HydrophobicContact CE3-CD2 3.85Å; W197-L200 HydrophobicContact CZ3-CD2 3.65Å; W197-L200 PolarHBondContact O-N 2.69Å; K198-L200 VanDerWaalsContact C-N 3.34Å; K198-L200 PolarHBondContact O-N 3.07Å; L200-L203 PolarHBondContact O-N 3.09Å; L200-I204 HydrophobicContact CD1-CD1 4.08Å; L200-I204 HydrophobicContact CD1-CG1 4.23Å; L200-I204 HydrophobicContact CG-CD1 4.01Å; L200-I204 HydrophobicContact CG-CG1 4.46Å; L200-I204 WeakPolarHBondContact O-CG1 3.48Å; L200-I204 PolarHBondContact O-N 2.97Å
201A98.9Very high98.5Very high0 Ų053.6 Ų53.60%026%0.26CS..Hα-helixtrans-60.1-4817800000110.9W197 K198 L203 I204 E205 L234 F235 M238 M240W197-A201 WeakPolarHBondContact O-CB 3.29Å; W197-A201 PolarHBondContact O-N 3.03Å; K198-A201 PolarHBondContact O-N 3.47Å; A201-L203 VanDerWaalsContact C-N 3.33Å; A201-L203 PolarHBondContact O-N 3.17Å; A201-I204 PolarHBondContact O-N 2.92Å; A201-E205 PolarHBondContact O-N 3.28Å; A201-L234 HydrophobicContact CB-CD2 4.04Å; A201-L234 HydrophobicContact CB-CG 4.38Å; A201-F235 HydrophobicContact CB-CD2 3.84Å; A201-F235 HydrophobicContact CB-CE1 4.45Å; A201-F235 HydrophobicContact CB-CE2 3.47Å; A201-F235 VanDerWaalsContact CB-CE2 3.47Å; A201-F235 HydrophobicContact CB-CG 4.49Å; A201-F235 HydrophobicContact CB-CZ 3.81Å; A201-M238 HydrophobicContact CB-CE 4.34Å; A201-M238 HydrophobicContact CB-SD 3.61Å; A201-M240 HydrophobicContact CB-CE 3.97Å; A201-M240 WeakPolarHBondContact O-CE 3.23Å
202L98.8Very high98.6Very high101 Ų10151.4 Ų51.453%0.52925%0.248SC..Hα-helixtrans-56.7-45.4175.2-70.5174000111.9K198 Q199 E205 E206 M238K198-L202 WeakPolarHBondContact O-CG 3.22Å; K198-L202 PolarHBondContact O-N 3.26Å; K198-L202 VanDerWaalsContact O-N 3.09Å; Q199-L202 PolarHBondContact O-N 3.4Å; L202-E205 PolarHBondContact O-N 2.9Å; L202-E206 WeakPolarHBondContact O-CB 3.4Å; L202-E206 PolarHBondContact O-N 3.47Å; L202-M238 HydrophobicContact CD2-CE 3.87Å
203L98.8Very high98.6Very high19 Ų1951 Ų5110%0.09925%0.246CC..Hα-helixtrans-62.8-45.4177.4179.967.9000111.9L166 L169 N170 Q199 L200 A201 E205 E206 K207L166-L203 HydrophobicContact CB-CD2 4.25Å; L166-L203 HydrophobicContact CD2-CD2 3.65Å; L169-L203 HydrophobicContact CB-CD2 3.92Å; N170-L203 HydrophobicContact CB-CD1 4.1Å; Q199-L203 PolarHBondContact O-N 3.2Å; Q199-L203 VanDerWaalsContact O-N 3.08Å; L200-L203 PolarHBondContact O-N 3.09Å; A201-L203 VanDerWaalsContact C-N 3.33Å; A201-L203 PolarHBondContact O-N 3.17Å; L203-E205 VanDerWaalsContact C-N 3.31Å; L203-E205 PolarHBondContact O-N 3.39Å; L203-E206 PolarHBondContact O-N 3.46Å; L203-K207 HydrophobicContact CD1-CD 4.39Å; L203-K207 HydrophobicContact CD1-CG 3.7Å; L203-K207 HydrophobicContact CG-CG 4.19Å; L203-K207 VanDerWaalsContact O-CB 3.27Å; L203-K207 WeakPolarHBondContact O-CB 3.48Å; L203-K207 VanDerWaalsContact O-CG 3.23Å; L203-K207 WeakPolarHBondContact O-CG 3.38Å; L203-K207 PolarHBondContact O-N 3.43Å
204I98.8Very high98.7Very high0 Ų048.9 Ų48.90%023%0.23CC..Hα-helixtrans-62.1-41.3-179.6-77.9179.4000111.1V178 L180 L200 A201 K208 L209 P211 F235 M240V178-I204 HydrophobicContact CG1-CD1 4.47Å; L180-I204 HydrophobicContact CD1-CD1 3.74Å; L200-I204 HydrophobicContact CD1-CD1 4.08Å; L200-I204 HydrophobicContact CD1-CG1 4.23Å; L200-I204 HydrophobicContact CG-CD1 4.01Å; L200-I204 HydrophobicContact CG-CG1 4.46Å; L200-I204 WeakPolarHBondContact O-CG1 3.48Å; L200-I204 PolarHBondContact O-N 2.97Å; A201-I204 PolarHBondContact O-N 2.92Å; I204-K208 WeakPolarHBondContact O-CA 3.46Å; I204-K208 PolarHBondContact O-N 3.24Å; I204-L209 HydrophobicContact CG1-CD1 4.4Å; I204-L209 HydrophobicContact CG2-CB 4.2Å; I204-L209 PolarHBondContact O-N 2.96Å; I204-P211 HydrophobicContact CG2-CG 4.27Å; I204-F235 HydrophobicContact CB-CE1 4.21Å; I204-F235 HydrophobicContact CD1-CE1 3.75Å; I204-F235 HydrophobicContact CD1-CZ 3.96Å; I204-F235 HydrophobicContact CG2-CE1 4.03Å; I204-M240 HydrophobicContact CG2-SD 4.24Å
205E98.5Very high98.7Very high90 Ų9045.4 Ų45.442%0.42121%0.214SC..Hα-helixtrans-64.3-51.4175.3-175.3174.6-122.900111.7A201 L202 L203 K207 K208 M238 M240A201-E205 PolarHBondContact O-N 3.28Å; L202-E205 PolarHBondContact O-N 2.9Å; L203-E205 VanDerWaalsContact C-N 3.31Å; L203-E205 PolarHBondContact O-N 3.39Å; E205-K207 VanDerWaalsContact C-N 3.32Å; E205-K207 PolarHBondContact O-N 3.12Å; E205-K208 WeakPolarHBondContact O-CA 3.45Å; E205-K208 PolarHBondContact O-N 3.29Å; E205-M238 HydrophobicContact CB-CE 4.47Å; E205-M238 WeakPolarHBondContact OE2-CE 3.46Å; E205-M240 HydrophobicContact CB-CE 3.8Å; E205-M240 HydrophobicContact CB-SD 4.27Å; E205-M240 HydrophobicContact CG-CE 4.5Å
206E98.4Very high98.7Very high145 Ų14541.2 Ų41.268%0.67819%0.193SC*.Hα-helixtrans-57.5-44.8-179.9-175.3-167.4153.600111.7L202 L203 K208L202-E206 WeakPolarHBondContact O-CB 3.4Å; L202-E206 PolarHBondContact O-N 3.47Å; L203-E206 PolarHBondContact O-N 3.46Å; E206-K208 PolarHBondContact O-N 3.01Å
207K98.4Very high98.7Very high59 Ų5939.5 Ų39.526%0.25718%0.184SC..THydrogen-bonded Turntrans-80.4-3.7179.7-62-56.2-56.6-157.90113.2N170 L203 E205 L209N170-K207 VanDerWaalsContact O-CE 3.23Å; N170-K207 WeakPolarHBondContact O-CE 3.13Å; N170-K207 PolarHBondContact O-NZ 3.25Å; L203-K207 HydrophobicContact CD1-CD 4.39Å; L203-K207 HydrophobicContact CD1-CG 3.7Å; L203-K207 HydrophobicContact CG-CG 4.19Å; L203-K207 VanDerWaalsContact O-CB 3.27Å; L203-K207 WeakPolarHBondContact O-CB 3.48Å; L203-K207 VanDerWaalsContact O-CG 3.23Å; L203-K207 WeakPolarHBondContact O-CG 3.38Å; L203-K207 PolarHBondContact O-N 3.43Å; E205-K207 VanDerWaalsContact C-N 3.32Å; E205-K207 PolarHBondContact O-N 3.12Å; K207-L209 HydrophobicContact CB-CD1 4.01Å; K207-L209 HydrophobicContact CB-CD2 3.94Å; K207-L209 HydrophobicContact CB-CG 3.63Å; K207-L209 PolarHBondContact O-N 2.98Å
208K98.3Very high98.7Very high121 Ų12138.9 Ų38.953%0.52618%0.182SC..THydrogen-bonded Turntrans46.548.5-174.6-49.7160.4178.8173.50111.8E174 R175 I204 E205 E206E174-K208 VanDerWaalsContact CD-NZ 3.31Å; E174-K208 HydrophobicContact CG-CB 3.78Å; E174-K208 HydrophobicContact CG-CD 3.71Å; E174-K208 HydrophobicContact CG-CG 4.41Å; E174-K208 WeakPolarHBondContact OE1-CD 3.45Å; E174-K208 IonicContact OE1-NZ 3.42Å; E174-K208 PolarHBondContact OE1-NZ 3.42Å; E174-K208 VanDerWaalsContact OE1-NZ 3.08Å; E174-K208 IonicContact OE2-NZ 3.08Å; E174-K208 PolarHBondContact OE2-NZ 3.38Å; R175-K208 WeakPolarHBondContact CA-O 3.31Å; R175-K208 PolarHBondContact N-O 2.94Å; I204-K208 WeakPolarHBondContact O-CA 3.46Å; I204-K208 PolarHBondContact O-N 3.24Å; E205-K208 WeakPolarHBondContact O-CA 3.45Å; E205-K208 PolarHBondContact O-N 3.29Å; E206-K208 PolarHBondContact O-N 3.01Å
209L98.8Very high98.6Very high11 Ų1134.5 Ų34.56%0.05816%0.163CC..  trans-82.8155.3173.7-49.6-179.7000108.9A172 P173 A176 V178 I204 K207 P211A172-L209 HydrophobicContact CB-CD1 4.01Å; A172-L209 HydrophobicContact CB-CD2 3.83Å; P173-L209 VanDerWaalsContact O-CD2 3.3Å; P173-L209 WeakPolarHBondContact O-CD2 3.41Å; A176-L209 HydrophobicContact CB-CD2 4.14Å; V178-L209 HydrophobicContact CG2-CB 3.87Å; V178-L209 HydrophobicContact CG2-CD1 3.8Å; V178-L209 HydrophobicContact CG2-CG 4.41Å; I204-L209 HydrophobicContact CG1-CD1 4.4Å; I204-L209 HydrophobicContact CG2-CB 4.2Å; I204-L209 PolarHBondContact O-N 2.96Å; K207-L209 HydrophobicContact CB-CD1 4.01Å; K207-L209 HydrophobicContact CB-CD2 3.94Å; K207-L209 HydrophobicContact CB-CG 3.63Å; K207-L209 PolarHBondContact O-N 2.98Å; L209-P211 WeakPolarHBondContact O-CD 3.12Å
210F98.9Very high98.4Very high40 Ų4029.9 Ų29.918%0.17514%0.141CC..EExtended strand (participates in β ladder)trans-101.6108.3179.7-164.6-82.1000110.6L117 A176 I177 V178 V212 E241 F243L117-F210 HydrophobicContact CD1-CD1 3.65Å; L117-F210 HydrophobicContact CD1-CE1 3.86Å; L117-F210 HydrophobicContact CD2-CD1 3.64Å; L117-F210 HydrophobicContact CD2-CD2 4.21Å; L117-F210 HydrophobicContact CD2-CE1 3.69Å; L117-F210 HydrophobicContact CD2-CE2 4.24Å; L117-F210 HydrophobicContact CD2-CG 3.91Å; L117-F210 HydrophobicContact CD2-CZ 3.98Å; L117-F210 HydrophobicContact CG-CD1 4.3Å; L117-F210 HydrophobicContact CG-CE1 4.32Å; A176-F210 PolarHBondContact O-N 2.77Å; I177-F210 WeakPolarHBondContact CA-O 3.43Å; V178-F210 PolarHBondContact N-O 3.25Å; F210-V212 HydrophobicContact CD1-CG2 4.13Å; F210-V212 HydrophobicContact CE1-CG2 4.33Å; F210-E241 HydrophobicContact CE2-CB 4.15Å; F210-F243 HydrophobicContact CE1-CB 4.31Å; F210-F243 HydrophobicContact CE1-CD1 4.43Å; F210-F243 AromaticContact CE1-CD2 3.96Å; F210-F243 HydrophobicContact CE1-CD2 3.96Å; F210-F243 HydrophobicContact CE1-CE2 4.47Å; F210-F243 AromaticContact CE1-CG 3.97Å; F210-F243 HydrophobicContact CE1-CG 3.97Å; F210-F243 HydrophobicContact CZ-CD1 4.31Å; F210-F243 HydrophobicContact CZ-CD2 4.44Å; F210-F243 HydrophobicContact CZ-CE1 4.47Å; F210-F243 HydrophobicContact CZ-CG 4.31Å
211P98.9Very high98.1Very high2 Ų230.7 Ų30.71%0.01315%0.148CC..EExtended strand (participates in β ladder)trans-75.5132.8179.428.2-31.2000111.7L180 I204 L209 F213 F235 M242 F243L180-P211 HydrophobicContact CD1-CB 4.02Å; I204-P211 HydrophobicContact CG2-CG 4.27Å; L209-P211 WeakPolarHBondContact O-CD 3.12Å; P211-F213 HydrophobicContact CB-CE2 4.21Å; P211-F235 HydrophobicContact CB-CD1 4.1Å; P211-F235 HydrophobicContact CB-CE1 4.02Å; P211-F235 HydrophobicContact CG-CD1 3.92Å; P211-F235 HydrophobicContact CG-CE1 4.2Å; P211-M242 HydrophobicContact CB-CB 4.5Å; P211-M242 HydrophobicContact CG-CB 3.74Å; P211-F243 PolarHBondContact O-N 3.13Å
212V99Very high97.8Very high0 Ų032.5 Ų32.50%016%0.16CC..EExtended strand (participates in β ladder)trans-118.4105.4167.4178.80000107.6A113 L117 I177 V178 I179 L180 F210 F243A113-V212 HydrophobicContact CB-CG1 4.06Å; L117-V212 HydrophobicContact CD1-CG2 3.55Å; I177-V212 HydrophobicContact CG2-CB 4.37Å; I177-V212 HydrophobicContact CG2-CG2 3.57Å; V178-V212 PolarHBondContact O-N 2.66Å; I179-V212 CarbonylContact C-O 3.54Å; I179-V212 WeakPolarHBondContact CA-O 3.29Å; L180-V212 PolarHBondContact N-O 3.38Å; F210-V212 HydrophobicContact CD1-CG2 4.13Å; F210-V212 HydrophobicContact CE1-CG2 4.33Å; V212-F243 CarbonylContact C-O 2.98Å; V212-F243 WeakPolarHBondContact CA-O 3.24Å; V212-F243 HydrophobicContact CG1-CB 4.42Å; V212-F243 HydrophobicContact CG2-CB 4.34Å
213F99Very high97.5Very high0 Ų028.3 Ų28.30%014%0.142CC..EExtended strand (participates in β ladder)trans-80.7121.1176.6-78.5-81.9000110.8L180 A182 W197 P211 A231 V232 F235 M242 F243 V244 A245L180-F213 HydrophobicContact CB-CD1 3.85Å; L180-F213 HydrophobicContact CB-CE1 3.91Å; L180-F213 HydrophobicContact CB-CG 4.49Å; L180-F213 HydrophobicContact CD1-CE1 3.98Å; L180-F213 HydrophobicContact CD1-CE2 4.34Å; L180-F213 HydrophobicContact CD1-CZ 3.86Å; L180-F213 CarbonylContact O-C 3.57Å; L180-F213 VanDerWaalsContact O-CA 3.27Å; L180-F213 WeakPolarHBondContact O-CA 3.17Å; A182-F213 HydrophobicContact CB-CD1 4.07Å; W197-F213 HydrophobicContact CH2-CE1 4.11Å; W197-F213 HydrophobicContact CZ3-CE1 4Å; W197-F213 HydrophobicContact CZ3-CZ 4.49Å; P211-F213 HydrophobicContact CB-CE2 4.21Å; F213-A231 HydrophobicContact CE1-CB 4.1Å; F213-V232 HydrophobicContact CB-CG2 4.03Å; F213-V232 HydrophobicContact CD1-CG2 3.86Å; F213-V232 HydrophobicContact CD2-CG2 4.1Å; F213-V232 HydrophobicContact CE1-CG2 4.31Å; F213-V232 HydrophobicContact CG-CG2 3.74Å; F213-F235 HydrophobicContact CE2-CB 4.09Å; F213-F235 AromaticContact CE2-CD1 3.81Å; F213-F235 HydrophobicContact CE2-CD1 3.81Å; F213-F235 HydrophobicContact CE2-CD2 4.23Å; F213-F235 HydrophobicContact CE2-CE1 4.26Å; F213-F235 AromaticContact CE2-CG 3.79Å; F213-F235 HydrophobicContact CE2-CG 3.79Å; F213-F235 HydrophobicContact CZ-CB 4.41Å; F213-F235 AromaticContact CZ-CD1 3.96Å; F213-F235 HydrophobicContact CZ-CD1 3.96Å; F213-F235 AromaticContact CZ-CD2 3.73Å; F213-F235 HydrophobicContact CZ-CD2 3.73Å; F213-F235 HydrophobicContact CZ-CE1 4.09Å; F213-F235 AromaticContact CZ-CE2 3.87Å; F213-F235 HydrophobicContact CZ-CE2 3.87Å; F213-F235 AromaticContact CZ-CG 3.78Å; F213-F235 HydrophobicContact CZ-CG 3.78Å; F213-F235 HydrophobicContact CZ-CZ 4.05Å; F213-M242 HydrophobicContact CD2-SD 3.82Å; F213-M242 HydrophobicContact CE2-SD 3.89Å; F213-F243 PolarHBondContact N-O 3.23Å; F213-V244 HydrophobicContact CB-CB 4.4Å; F213-V244 HydrophobicContact CB-CG1 3.99Å; F213-V244 HydrophobicContact CB-CG2 4.31Å; F213-V244 CarbonylContact O-C 3.56Å; F213-V244 WeakPolarHBondContact O-CA 3.29Å; F213-A245 PolarHBondContact O-N 2.98Å
214D98.9Very high97.4Very high14 Ų1431 Ų318%0.07516%0.157CC..EExtended strand (participates in β ladder)trans-87.9115.7162.4-176.11.6000108.9H136 L180 A182H136-D214 IonicContact CE1-OD2 2.76Å; H136-D214 PolarHBondContact CE1-OD2 2.74Å; H136-D214 IonicContact NE2-OD2 3.88Å; H136-D214 PolarHBondContact NE2-OD2 3.07Å; H136-D214 VanDerWaalsContact NE2-OD2 3.13Å; L180-D214 PolarHBondContact O-N 2.66Å; A182-D214 PolarHBondContact N-O 2.81Å
215M98.7Very high97.3Very high2 Ų231.8 Ų31.81%0.0116%0.161CC..EExtended strand (participates in β ladder)trans-122.374.5-176.2-166.2179.7-15300110.6V85 A182 Q218 D228 A229 V244 A245 S247V85-M215 HydrophobicContact CB-SD 4.35Å; V85-M215 HydrophobicContact CG1-SD 3.87Å; V85-M215 HydrophobicContact CG2-SD 3.71Å; A182-M215 HydrophobicContact CB-CB 3.92Å; A182-M215 HydrophobicContact CB-CE 4.44Å; A182-M215 HydrophobicContact CB-CG 3.84Å; M215-Q218 HydrophobicContact CE-CB 3.72Å; M215-Q218 VanDerWaalsContact CE-CD 3.46Å; M215-Q218 HydrophobicContact CE-CG 3.49Å; M215-Q218 VanDerWaalsContact CE-CG 3.49Å; M215-Q218 HydrophobicContact CG-CB 4.24Å; M215-Q218 HydrophobicContact SD-CB 4.36Å; M215-D228 WeakPolarHBondContact CE-O 3.46Å; M215-A229 VanDerWaalsContact CE-CA 3.43Å; M215-A229 HydrophobicContact CE-CB 3.67Å; M215-V244 HydrophobicContact CB-CG1 4.07Å; M215-V244 HydrophobicContact SD-CG1 4.49Å; M215-A245 PolarHBondContact N-O 3.06Å; M215-S247 PolarHBondContact O-N 2.82Å; M215-S247 VanDerWaalsContact O-N 3.12Å
216A98.6Very high97.2Very high8 Ų831.6 Ų31.67%0.06616%0.163CC..SBendtrans-94.6-12.7-179.100000115.4
217Y98.3Very high97.2Very high11 Ų1128.2 Ų28.24%0.04315%0.149CC..  trans-127.320.6-166.6-61.3-71.1000114A184 N186 G219 F220 K250 M351 F352A184-Y217 HydrophobicContact CB-CD2 4.17Å; A184-Y217 HydrophobicContact CB-CG 3.97Å; A184-Y217 WeakPolarHBondContact O-CD2 3.43Å; N186-Y217 HydrophobicContact CB-CE2 4.01Å; N186-Y217 PolarHBondContact ND2-OH 3.26Å; Y217-G219 PolarHBondContact O-N 3.24Å; Y217-F220 WeakPolarHBondContact O-CB 3.35Å; Y217-F220 PolarHBondContact O-N 3.44Å; Y217-K250 HydrophobicContact CD1-CB 4.4Å; Y217-K250 HydrophobicContact CD1-CG 4.18Å; Y217-K250 HydrophobicContact CE1-CD 4.29Å; Y217-K250 HydrophobicContact CE1-CG 3.81Å; Y217-M351 HydrophobicContact CD1-CG 4.3Å; Y217-M351 HydrophobicContact CD1-SD 4.04Å; Y217-M351 HydrophobicContact CE1-CG 4.23Å; Y217-M351 HydrophobicContact CE1-SD 3.69Å; Y217-F352 HydrophobicContact CE1-CE2 4.33Å; Y217-F352 AromaticContact CZ-CE2 3.85Å; Y217-F352 VanDerWaalsContact OH-CE2 3.3Å; Y217-F352 WeakPolarHBondContact OH-CE2 3.45Å
218Q98.5Very high97.2Very high1 Ų125.5 Ų25.51%0.00514%0.137CC..THydrogen-bonded Turntrans-54.4118.1178.8-168.5-17911.900111.2L84 M215 L225 D228 N251L84-Q218 PolarHBondContact O-NE2 3.43Å; M215-Q218 HydrophobicContact CE-CB 3.72Å; M215-Q218 VanDerWaalsContact CE-CD 3.46Å; M215-Q218 HydrophobicContact CE-CG 3.49Å; M215-Q218 VanDerWaalsContact CE-CG 3.49Å; M215-Q218 HydrophobicContact CG-CB 4.24Å; M215-Q218 HydrophobicContact SD-CB 4.36Å; Q218-L225 HydrophobicContact CG-CD2 4.01Å; Q218-L225 PolarHBondContact NE2-O 2.89Å; Q218-D228 HydrophobicContact CG-CB 4.14Å; Q218-N251 WeakPolarHBondContact O-CB 3.38Å; Q218-N251 PolarHBondContact O-ND2 2.71Å
219G97.2Very high97.2Very high0 Ų019.8 Ų19.80%011%0.113CC..THydrogen-bonded Turntrans102-14.3-17600000114.7Y217 G223 D228 V315Y217-G219 PolarHBondContact O-N 3.24Å; G219-G223 WeakPolarHBondContact O-CA 3.35Å; G219-G223 PolarHBondContact O-N 3.31Å; G219-D228 WeakPolarHBondContact CA-OD2 3.14Å; G219-D228 PolarHBondContact N-OD2 3.24Å; G219-V315 WeakPolarHBondContact O-CG1 3.44Å
220F93.8Very high97.1Very high4 Ų422.6 Ų22.62%0.01812%0.123CC..THydrogen-bonded Turntrans-93.4-15.6-179.5-76.5-92.6000114.5Y217 D228 K250 N251 M318 I322 G350 M351Y217-F220 WeakPolarHBondContact O-CB 3.35Å; Y217-F220 PolarHBondContact O-N 3.44Å; F220-D228 PolarHBondContact N-OD2 3.23Å; F220-D228 VanDerWaalsContact N-OD2 3.17Å; F220-K250 HydrophobicContact CE2-CB 3.86Å; F220-K250 HydrophobicContact CZ-CB 4.27Å; F220-N251 HydrophobicContact CD2-CB 4.43Å; F220-N251 HydrophobicContact CE2-CB 3.91Å; F220-M318 HydrophobicContact CE1-CB 3.9Å; F220-M318 HydrophobicContact CE1-CE 4.39Å; F220-M318 HydrophobicContact CE1-SD 4.26Å; F220-M318 HydrophobicContact CE2-CE 4.38Å; F220-M318 HydrophobicContact CZ-CB 4.39Å; F220-M318 HydrophobicContact CZ-CE 3.72Å; F220-M318 HydrophobicContact CZ-SD 3.92Å; F220-I322 HydrophobicContact CD1-CD1 3.58Å; F220-I322 HydrophobicContact CE1-CD1 3.91Å; F220-G350 WeakPolarHBondContact O-CA 3.31Å; F220-G350 PolarHBondContact O-N 3.23Å; F220-M351 HydrophobicContact CD1-CG 4.03Å; F220-M351 HydrophobicContact CE1-CG 4.3Å; F220-M351 HydrophobicContact CE1-SD 4.45Å
221A93.2Very high97.1Very high16 Ų1620.9 Ų20.913%0.13212%0.116CC..SBendtrans-80.4-58.5-179.800000109.9C183 A184 D228 V349C183-A221 HydrophobicContact CB-CB 3.85Å; A184-A221 HydrophobicContact CB-CB 4.07Å; A221-D228 PolarHBondContact N-OD2 2.99Å; A221-V349 HydrophobicContact CB-CB 4.22Å; A221-V349 HydrophobicContact CB-CG2 4.02Å
222S92.4Very high97.1Very high38 Ų3820.8 Ų20.827%0.26612%0.115SC..SBendtrans-102.6-14.3-178.666.40000115N224 N227 D228S222-N224 WeakPolarHBondContact OG-CB 3.32Å; S222-N224 PolarHBondContact OG-N 3.21Å; S222-N224 PolarHBondContact OG-O 3.31Å; S222-N224 VanDerWaalsContact OG-O 3.12Å; S222-N227 VanDerWaalsContact CB-ND2 3.31Å; S222-N227 WeakPolarHBondContact CB-ND2 3.13Å; S222-N227 PolarHBondContact OG-ND2 3.31Å; S222-D228 VanDerWaalsContact CB-OD1 3.24Å; S222-D228 WeakPolarHBondContact CB-OD1 3.38Å; S222-D228 PolarHBondContact N-OD1 3.39Å; S222-D228 PolarHBondContact N-OD2 3.33Å; S222-D228 PolarHBondContact OG-OD1 2.82Å
223G92Very high97.1Very high14 Ų1423.6 Ų23.614%0.14413%0.126CC..SBendtrans80.21.7-164.300000113.4G219G219-G223 WeakPolarHBondContact O-CA 3.35Å; G219-G223 PolarHBondContact O-N 3.31Å
224N96Very high97.1Very high76 Ų7624.8 Ų24.841%0.40613%0.132SC..  trans-122.9124179.3-179.1-64.5000110.5S222 D226 N227 D228S222-N224 WeakPolarHBondContact OG-CB 3.32Å; S222-N224 PolarHBondContact OG-N 3.21Å; S222-N224 PolarHBondContact OG-O 3.31Å; S222-N224 VanDerWaalsContact OG-O 3.12Å; N224-D226 PolarHBondContact O-N 3.25Å; N224-D226 WeakPolarHBondContact OD1-CA 3.41Å; N224-D226 WeakPolarHBondContact OD1-CB 3.35Å; N224-D226 PolarHBondContact OD1-N 3.12Å; N224-N227 HydrophobicContact CB-CB 4.04Å; N224-N227 PolarHBondContact OD1-N 2.92Å; N224-D228 WeakPolarHBondContact O-CB 3.37Å; N224-D228 VanDerWaalsContact O-CG 3.24Å; N224-D228 PolarHBondContact O-N 3.41Å
225L97.5Very high97.1Very high16 Ų1624.1 Ų24.18%0.08413%0.128CC..THydrogen-bonded Turntrans-67.1-33.7-174.8-62.7166000113.4L84 Q218 A229 F308 W311 K312L84-L225 HydrophobicContact CD1-CB 4.4Å; L84-L225 HydrophobicContact CD1-CD1 3.99Å; Q218-L225 HydrophobicContact CG-CD2 4.01Å; Q218-L225 PolarHBondContact NE2-O 2.89Å; L225-A229 WeakPolarHBondContact O-CB 3.29Å; L225-A229 PolarHBondContact O-N 3.34Å; L225-F308 HydrophobicContact CD1-CZ 4.31Å; L225-W311 HydrophobicContact CD1-CE3 4.37Å; L225-W311 HydrophobicContact CD1-CH2 3.68Å; L225-W311 HydrophobicContact CD1-CZ3 3.35Å; L225-W311 HydrophobicContact CD2-CH2 3.58Å; L225-W311 HydrophobicContact CD2-CZ2 4.36Å; L225-W311 HydrophobicContact CD2-CZ3 4.18Å; L225-W311 HydrophobicContact CG-CH2 4.28Å; L225-W311 HydrophobicContact CG-CZ3 4.4Å; L225-K312 HydrophobicContact CD1-CD 4.03Å; L225-K312 HydrophobicContact CD1-CG 3.71Å
226D97Very high97Very high86 Ų8624.5 Ų24.546%0.4613%0.132SC..THydrogen-bonded Turntrans-76-41.9-179-67.3-53.8000111.4N224 D228 A229 W230 R233N224-D226 PolarHBondContact O-N 3.25Å; N224-D226 WeakPolarHBondContact OD1-CA 3.41Å; N224-D226 WeakPolarHBondContact OD1-CB 3.35Å; N224-D226 PolarHBondContact OD1-N 3.12Å; D226-D228 VanDerWaalsContact C-N 3.33Å; D226-A229 CarbonylContact O-C 3.55Å; D226-A229 PolarHBondContact O-N 2.73Å; D226-W230 PolarHBondContact O-N 2.96Å; D226-W230 VanDerWaalsContact O-N 3.16Å; D226-R233 IonicContact OD1-CZ 3.7Å; D226-R233 IonicContact OD1-NH1 3.13Å; D226-R233 PolarHBondContact OD1-NH1 3.43Å; D226-R233 IonicContact OD1-NH2 3.66Å; D226-R233 PolarHBondContact OD1-NH2 2.8Å
227N97.1Very high97Very high73 Ų7328.6 Ų28.639%0.3916%0.16SC..G310 helixtrans-63.2-42.5175.1-171.374.6000110.8S222 N224 A229 W230S222-N227 VanDerWaalsContact CB-ND2 3.31Å; S222-N227 WeakPolarHBondContact CB-ND2 3.13Å; S222-N227 PolarHBondContact OG-ND2 3.31Å; N224-N227 HydrophobicContact CB-CB 4.04Å; N224-N227 PolarHBondContact OD1-N 2.92Å; N227-A229 PolarHBondContact O-N 2.74Å; N227-W230 WeakPolarHBondContact O-CB 3.45Å; N227-W230 PolarHBondContact O-N 3.48Å; N227-W230 VanDerWaalsContact O-N 3.09Å
228D98.4Very high96.9Very high3 Ų330.6 Ų30.62%0.01617%0.17CC..G310 helixtrans-69.9-14.3177.6-72.514.9000113.2C183 M215 Q218 G219 F220 A221 S222 N224 D226C183-D228 HydrophobicContact CB-CB 4.34Å; C183-D228 PolarHBondContact SG-O 3.43Å; C183-D228 VanDerWaalsContact SG-O 3.35Å; M215-D228 WeakPolarHBondContact CE-O 3.46Å; Q218-D228 HydrophobicContact CG-CB 4.14Å; G219-D228 WeakPolarHBondContact CA-OD2 3.14Å; G219-D228 PolarHBondContact N-OD2 3.24Å; F220-D228 PolarHBondContact N-OD2 3.23Å; F220-D228 VanDerWaalsContact N-OD2 3.17Å; A221-D228 PolarHBondContact N-OD2 2.99Å; S222-D228 VanDerWaalsContact CB-OD1 3.24Å; S222-D228 WeakPolarHBondContact CB-OD1 3.38Å; S222-D228 PolarHBondContact N-OD1 3.39Å; S222-D228 PolarHBondContact N-OD2 3.33Å; S222-D228 PolarHBondContact OG-OD1 2.82Å; N224-D228 WeakPolarHBondContact O-CB 3.37Å; N224-D228 VanDerWaalsContact O-CG 3.24Å; N224-D228 PolarHBondContact O-N 3.41Å; D226-D228 VanDerWaalsContact C-N 3.33Å
229A98.5Very high96.8Very high1 Ų132.5 Ų32.51%0.00819%0.19CC..G310 helixtrans-97.9-3.3173.100000114.1V85 M215 L225 D226 N227 A231 V232 R233V85-A229 WeakPolarHBondContact O-CB 3.46Å; M215-A229 VanDerWaalsContact CE-CA 3.43Å; M215-A229 HydrophobicContact CE-CB 3.67Å; L225-A229 WeakPolarHBondContact O-CB 3.29Å; L225-A229 PolarHBondContact O-N 3.34Å; D226-A229 CarbonylContact O-C 3.55Å; D226-A229 PolarHBondContact O-N 2.73Å; N227-A229 PolarHBondContact O-N 2.74Å; A229-A231 VanDerWaalsContact C-N 3.34Å; A229-A231 PolarHBondContact O-N 3.35Å; A229-V232 PolarHBondContact O-N 3.25Å; A229-R233 WeakPolarHBondContact O-CG 3.37Å; A229-R233 PolarHBondContact O-N 3.23Å; A229-R233 VanDerWaalsContact O-N 3.11Å
230W98.3Very high96.9Very high70 Ų7033.2 Ų33.227%0.26519%0.194SC..Hα-helixtrans-60.3-41.2-166.7-175.591.8000112.9H194 W197 K198 D226 N227 V232 R233 L234H194-W230 HydrophobicContact CB-CE3 4.45Å; H194-W230 HydrophobicContact CB-CH2 3.67Å; H194-W230 HydrophobicContact CB-CZ2 4.1Å; H194-W230 HydrophobicContact CB-CZ3 3.87Å; H194-W230 AromaticContact CD2-CD2 3.74Å; H194-W230 AromaticContact CD2-CE3 3.45Å; H194-W230 VanDerWaalsContact CD2-CE3 3.45Å; H194-W230 AromaticContact CD2-CZ3 3.74Å; H194-W230 AromaticContact CE1-CD2 3.94Å; H194-W230 AromaticContact CG-CE3 3.92Å; H194-W230 AromaticContact CG-CH2 3.89Å; H194-W230 AromaticContact CG-CZ3 3.85Å; H194-W230 AromaticContact ND1-CE2 3.97Å; H194-W230 AromaticContact NE2-CD2 3.68Å; H194-W230 AromaticContact NE2-CE3 3.83Å; H194-W230 AromaticContact NE2-CG 3.83Å; W197-W230 HydrophobicContact CB-CE3 4.5Å; W197-W230 HydrophobicContact CB-CZ3 3.66Å; W197-W230 HydrophobicContact CG-CZ3 4.26Å; K198-W230 HydrophobicContact CG-CH2 4.15Å; D226-W230 PolarHBondContact O-N 2.96Å; D226-W230 VanDerWaalsContact O-N 3.16Å; N227-W230 WeakPolarHBondContact O-CB 3.45Å; N227-W230 PolarHBondContact O-N 3.48Å; N227-W230 VanDerWaalsContact O-N 3.09Å; W230-V232 PolarHBondContact O-N 3.17Å; W230-R233 PolarHBondContact O-N 3.42Å; W230-L234 HydrophobicContact CH2-CB 4.41Å; W230-L234 HydrophobicContact CH2-CD1 4.46Å; W230-L234 HydrophobicContact CH2-CD2 3.8Å; W230-L234 HydrophobicContact CH2-CG 4.45Å; W230-L234 HydrophobicContact CZ3-CB 4.29Å; W230-L234 HydrophobicContact CZ3-CD2 3.75Å; W230-L234 PolarHBondContact O-N 3.3Å
231A98.6Very high97.1Very high3 Ų336.2 Ų36.23%0.02521%0.208CC..Hα-helixtrans-60.5-43.3178.800000112.6W197 F213 A229 R233 L234 F235W197-A231 HydrophobicContact CD2-CB 3.63Å; W197-A231 HydrophobicContact CE3-CB 3.98Å; W197-A231 HydrophobicContact CG-CB 4.09Å; W197-A231 HydrophobicContact CH2-CB 4.24Å; W197-A231 HydrophobicContact CZ2-CB 3.9Å; W197-A231 HydrophobicContact CZ3-CB 4.27Å; F213-A231 HydrophobicContact CE1-CB 4.1Å; A229-A231 VanDerWaalsContact C-N 3.34Å; A229-A231 PolarHBondContact O-N 3.35Å; A231-R233 VanDerWaalsContact C-N 3.35Å; A231-R233 PolarHBondContact O-N 2.92Å; A231-L234 WeakPolarHBondContact O-CB 3.4Å; A231-L234 PolarHBondContact O-N 3.21Å; A231-F235 VanDerWaalsContact O-CD2 3.22Å; A231-F235 WeakPolarHBondContact O-CD2 3.21Å; A231-F235 PolarHBondContact O-N 3.09Å
232V98.7Very high97.4Very high0 Ų035.4 Ų35.40%020%0.201CC..Hα-helixtrans-63.4-44176.2179.70000110.4V85 L86 A182 F213 A229 W230 L234 F235 A236 M242 V244V85-V232 HydrophobicContact CG1-CB 4.15Å; V85-V232 HydrophobicContact CG1-CG1 3.68Å; V85-V232 HydrophobicContact CG1-CG2 4.39Å; L86-V232 HydrophobicContact CD2-CG1 3.99Å; A182-V232 HydrophobicContact CB-CG2 4.09Å; F213-V232 HydrophobicContact CB-CG2 4.03Å; F213-V232 HydrophobicContact CD1-CG2 3.86Å; F213-V232 HydrophobicContact CD2-CG2 4.1Å; F213-V232 HydrophobicContact CE1-CG2 4.31Å; F213-V232 HydrophobicContact CG-CG2 3.74Å; A229-V232 PolarHBondContact O-N 3.25Å; W230-V232 PolarHBondContact O-N 3.17Å; V232-L234 VanDerWaalsContact C-N 3.34Å; V232-L234 PolarHBondContact O-N 2.98Å; V232-F235 PolarHBondContact O-N 3.16Å; V232-A236 WeakPolarHBondContact O-CB 3.23Å; V232-A236 PolarHBondContact O-N 2.72Å; V232-M242 HydrophobicContact CG1-SD 4.07Å; V232-V244 HydrophobicContact CG1-CG2 3.66Å; V232-V244 HydrophobicContact CG2-CG1 4.35Å
233R98.4Very high97.7Very high59 Ų5933.9 Ų33.922%0.22319%0.19CC..Hα-helixtrans-66.1-35.2179.9-66.1178.2-172.7-178.34.2112.4L84 V85 D226 A229 W230 A231 A236 S237L84-R233 PolarHBondContact O-NH2 3.06Å; V85-R233 PolarHBondContact O-NE 3.23Å; V85-R233 PolarHBondContact O-NH2 2.89Å; D226-R233 IonicContact OD1-CZ 3.7Å; D226-R233 IonicContact OD1-NH1 3.13Å; D226-R233 PolarHBondContact OD1-NH1 3.43Å; D226-R233 IonicContact OD1-NH2 3.66Å; D226-R233 PolarHBondContact OD1-NH2 2.8Å; A229-R233 WeakPolarHBondContact O-CG 3.37Å; A229-R233 PolarHBondContact O-N 3.23Å; A229-R233 VanDerWaalsContact O-N 3.11Å; W230-R233 PolarHBondContact O-N 3.42Å; A231-R233 VanDerWaalsContact C-N 3.35Å; A231-R233 PolarHBondContact O-N 2.92Å; R233-A236 PolarHBondContact O-N 2.73Å; R233-S237 WeakPolarHBondContact O-CB 3.41Å; R233-S237 PolarHBondContact O-N 3.36Å
234L98.5Very high98Very high25 Ų2533.2 Ų33.213%0.13118%0.183CC..Hα-helixtrans-58.6-55.2172.8169.867.6000110.6W197 K198 A201 W230 A231 V232 A236 S237 M238W197-L234 HydrophobicContact CB-CD2 4.1Å; K198-L234 HydrophobicContact CG-CD1 4.48Å; K198-L234 HydrophobicContact CG-CD2 4.22Å; A201-L234 HydrophobicContact CB-CD2 4.04Å; A201-L234 HydrophobicContact CB-CG 4.38Å; W230-L234 HydrophobicContact CH2-CB 4.41Å; W230-L234 HydrophobicContact CH2-CD1 4.46Å; W230-L234 HydrophobicContact CH2-CD2 3.8Å; W230-L234 HydrophobicContact CH2-CG 4.45Å; W230-L234 HydrophobicContact CZ3-CB 4.29Å; W230-L234 HydrophobicContact CZ3-CD2 3.75Å; W230-L234 PolarHBondContact O-N 3.3Å; A231-L234 WeakPolarHBondContact O-CB 3.4Å; A231-L234 PolarHBondContact O-N 3.21Å; V232-L234 VanDerWaalsContact C-N 3.34Å; V232-L234 PolarHBondContact O-N 2.98Å; L234-A236 PolarHBondContact O-N 3.35Å; L234-S237 PolarHBondContact O-N 3.44Å; L234-S237 VanDerWaalsContact O-N 3.1Å; L234-S237 PolarHBondContact O-OG 2.78Å; L234-M238 HydrophobicContact CD1-SD 4.41Å; L234-M238 PolarHBondContact O-N 2.69Å
235F98.6Very high98.2Very high0 Ų029.6 Ų29.60%016%0.164CC..Hα-helixtrans-59.9-39.6-180-80.6-124000111.2L180 W197 A201 I204 P211 F213 A231 V232 S237 M238 G239 M240 M242L180-F235 HydrophobicContact CD1-CE1 4.08Å; L180-F235 HydrophobicContact CD1-CZ 4.05Å; W197-F235 HydrophobicContact CE3-CE2 4.13Å; A201-F235 HydrophobicContact CB-CD2 3.84Å; A201-F235 HydrophobicContact CB-CE1 4.45Å; A201-F235 HydrophobicContact CB-CE2 3.47Å; A201-F235 VanDerWaalsContact CB-CE2 3.47Å; A201-F235 HydrophobicContact CB-CG 4.49Å; A201-F235 HydrophobicContact CB-CZ 3.81Å; I204-F235 HydrophobicContact CB-CE1 4.21Å; I204-F235 HydrophobicContact CD1-CE1 3.75Å; I204-F235 HydrophobicContact CD1-CZ 3.96Å; I204-F235 HydrophobicContact CG2-CE1 4.03Å; P211-F235 HydrophobicContact CB-CD1 4.1Å; P211-F235 HydrophobicContact CB-CE1 4.02Å; P211-F235 HydrophobicContact CG-CD1 3.92Å; P211-F235 HydrophobicContact CG-CE1 4.2Å; F213-F235 HydrophobicContact CE2-CB 4.09Å; F213-F235 AromaticContact CE2-CD1 3.81Å; F213-F235 HydrophobicContact CE2-CD1 3.81Å; F213-F235 HydrophobicContact CE2-CD2 4.23Å; F213-F235 HydrophobicContact CE2-CE1 4.26Å; F213-F235 AromaticContact CE2-CG 3.79Å; F213-F235 HydrophobicContact CE2-CG 3.79Å; F213-F235 HydrophobicContact CZ-CB 4.41Å; F213-F235 AromaticContact CZ-CD1 3.96Å; F213-F235 HydrophobicContact CZ-CD1 3.96Å; F213-F235 AromaticContact CZ-CD2 3.73Å; F213-F235 HydrophobicContact CZ-CD2 3.73Å; F213-F235 HydrophobicContact CZ-CE1 4.09Å; F213-F235 AromaticContact CZ-CE2 3.87Å; F213-F235 HydrophobicContact CZ-CE2 3.87Å; F213-F235 AromaticContact CZ-CG 3.78Å; F213-F235 HydrophobicContact CZ-CG 3.78Å; F213-F235 HydrophobicContact CZ-CZ 4.05Å; A231-F235 VanDerWaalsContact O-CD2 3.22Å; A231-F235 WeakPolarHBondContact O-CD2 3.21Å; A231-F235 PolarHBondContact O-N 3.09Å; V232-F235 PolarHBondContact O-N 3.16Å; F235-S237 VanDerWaalsContact C-N 3.33Å; F235-S237 PolarHBondContact O-N 3.33Å; F235-M238 PolarHBondContact O-N 2.83Å; F235-G239 PolarHBondContact O-N 3.07Å; F235-M240 HydrophobicContact CB-SD 4.38Å; F235-M240 HydrophobicContact CD1-CE 4.3Å; F235-M240 HydrophobicContact CD1-SD 3.54Å; F235-M240 VanDerWaalsContact CD1-SD 3.54Å; F235-M240 HydrophobicContact CE1-SD 4.1Å; F235-M240 HydrophobicContact CG-CE 4.49Å; F235-M240 HydrophobicContact CG-SD 4.15Å; F235-M240 PolarHBondContact O-N 3.2Å; F235-M242 HydrophobicContact CB-CE 3.53Å; F235-M242 HydrophobicContact CB-SD 4.22Å
236A98Very high98.2Very high10 Ų1028.9 Ų28.98%0.08316%0.16CC..Hα-helixtrans-66.8-36.6179.200000111.4L92 V232 R233 L234 M238 G239 M242 I265L92-A236 HydrophobicContact CD1-CB 3.8Å; V232-A236 WeakPolarHBondContact O-CB 3.23Å; V232-A236 PolarHBondContact O-N 2.72Å; R233-A236 PolarHBondContact O-N 2.73Å; L234-A236 PolarHBondContact O-N 3.35Å; A236-M238 VanDerWaalsContact C-N 3.27Å; A236-M238 PolarHBondContact O-N 3.24Å; A236-G239 PolarHBondContact O-N 2.89Å; A236-M242 HydrophobicContact CB-CE 3.88Å; A236-M242 VanDerWaalsContact N-CE 3.32Å; A236-I265 HydrophobicContact CB-CD1 3.94Å
237S97Very high98.3Very high94 Ų9424.9 Ų24.966%0.65714%0.139SC*.Hα-helixtrans-67.8-26.1176.776.70000113.5R233 L234 F235 G239R233-S237 WeakPolarHBondContact O-CB 3.41Å; R233-S237 PolarHBondContact O-N 3.36Å; L234-S237 PolarHBondContact O-N 3.44Å; L234-S237 VanDerWaalsContact O-N 3.1Å; L234-S237 PolarHBondContact O-OG 2.78Å; F235-S237 VanDerWaalsContact C-N 3.33Å; F235-S237 PolarHBondContact O-N 3.33Å; S237-G239 PolarHBondContact O-N 3Å
238M97.5Very high98.4Very high53 Ų5321.4 Ų21.426%0.26112%0.12SC..THydrogen-bonded Turntrans-79.4-5172.6-65.1176.266.200112.4A201 L202 E205 L234 F235 A236 M240A201-M238 HydrophobicContact CB-CE 4.34Å; A201-M238 HydrophobicContact CB-SD 3.61Å; L202-M238 HydrophobicContact CD2-CE 3.87Å; E205-M238 HydrophobicContact CB-CE 4.47Å; E205-M238 WeakPolarHBondContact OE2-CE 3.46Å; L234-M238 HydrophobicContact CD1-SD 4.41Å; L234-M238 PolarHBondContact O-N 2.69Å; F235-M238 PolarHBondContact O-N 2.83Å; A236-M238 VanDerWaalsContact C-N 3.27Å; A236-M238 PolarHBondContact O-N 3.24Å; M238-M240 VanDerWaalsContact C-N 3.35Å; M238-M240 HydrophobicContact CB-CE 3.66Å; M238-M240 HydrophobicContact CB-CG 4.24Å; M238-M240 HydrophobicContact CE-CE 3.28Å; M238-M240 HydrophobicContact CG-CE 4.09Å; M238-M240 HydrophobicContact SD-CE 3.34Å; M238-M240 WeakPolarHBondContact SD-CE 3.15Å
239G96.6Very high98.4Very high41 Ų4121.4 Ų21.442%0.42312%0.12SC..THydrogen-bonded Turntrans78.616.9-18000000114F235 A236 S237F235-G239 PolarHBondContact O-N 3.07Å; A236-G239 PolarHBondContact O-N 2.89Å; S237-G239 PolarHBondContact O-N 3Å
240M98.2Very high98.4Very high16 Ų1623.4 Ų23.48%0.07913%0.129CC..  trans-70.8137.5179-61.3-174.7-147.500111.9A201 I204 E205 F235 M238 M242A201-M240 HydrophobicContact CB-CE 3.97Å; A201-M240 WeakPolarHBondContact O-CE 3.23Å; I204-M240 HydrophobicContact CG2-SD 4.24Å; E205-M240 HydrophobicContact CB-CE 3.8Å; E205-M240 HydrophobicContact CB-SD 4.27Å; E205-M240 HydrophobicContact CG-CE 4.5Å; F235-M240 HydrophobicContact CB-SD 4.38Å; F235-M240 HydrophobicContact CD1-CE 4.3Å; F235-M240 HydrophobicContact CD1-SD 3.54Å; F235-M240 VanDerWaalsContact CD1-SD 3.54Å; F235-M240 HydrophobicContact CE1-SD 4.1Å; F235-M240 HydrophobicContact CG-CE 4.49Å; F235-M240 HydrophobicContact CG-SD 4.15Å; F235-M240 PolarHBondContact O-N 3.2Å; M238-M240 VanDerWaalsContact C-N 3.35Å; M238-M240 HydrophobicContact CB-CE 3.66Å; M238-M240 HydrophobicContact CB-CG 4.24Å; M238-M240 HydrophobicContact CE-CE 3.28Å; M238-M240 HydrophobicContact CG-CE 4.09Å; M238-M240 HydrophobicContact SD-CE 3.34Å; M238-M240 WeakPolarHBondContact SD-CE 3.15Å; M240-M242 WeakPolarHBondContact O-CE 3.47Å
241E98.6Very high98.3Very high66 Ų6620.1 Ų20.131%0.30812%0.117SC..  trans-73136.7166.5-56.4-165.6113.400110.1F210 I265 T266 N267F210-E241 HydrophobicContact CE2-CB 4.15Å; E241-I265 VanDerWaalsContact CA-O 3.26Å; E241-I265 WeakPolarHBondContact CA-O 3.35Å; E241-I265 WeakPolarHBondContact CB-O 3.46Å; E241-T266 WeakPolarHBondContact OE1-CA 3.35Å; E241-T266 WeakPolarHBondContact OE1-CB 3.45Å; E241-N267 WeakPolarHBondContact CG-ND2 3.35Å; E241-N267 PolarHBondContact OE1-N 2.92Å; E241-N267 PolarHBondContact OE1-ND2 3.14Å; E241-N267 PolarHBondContact OE2-ND2 3.1Å
242M98.8Very high98.3Very high0 Ų020 Ų200%012%0.116CC..EExtended strand (participates in β ladder)trans-159.1164.9-176.276.7-174.586.900112.6P211 F213 V232 F235 A236 M240 V244 I265P211-M242 HydrophobicContact CB-CB 4.5Å; P211-M242 HydrophobicContact CG-CB 3.74Å; F213-M242 HydrophobicContact CD2-SD 3.82Å; F213-M242 HydrophobicContact CE2-SD 3.89Å; V232-M242 HydrophobicContact CG1-SD 4.07Å; F235-M242 HydrophobicContact CB-CE 3.53Å; F235-M242 HydrophobicContact CB-SD 4.22Å; A236-M242 HydrophobicContact CB-CE 3.88Å; A236-M242 VanDerWaalsContact N-CE 3.32Å; M240-M242 WeakPolarHBondContact O-CE 3.47Å; M242-V244 HydrophobicContact CG-CG2 4.25Å; M242-V244 HydrophobicContact SD-CG2 4.14Å; M242-I265 HydrophobicContact CE-CD1 3.73Å; M242-I265 HydrophobicContact CG-CB 4.12Å; M242-I265 HydrophobicContact CG-CD1 3.88Å; M242-I265 HydrophobicContact CG-CG1 4.27Å; M242-I265 PolarHBondContact N-O 3.37Å; M242-I265 VanDerWaalsContact N-O 3.15Å; M242-I265 PolarHBondContact O-N 2.99Å; M242-I265 HydrophobicContact SD-CD1 3.92Å
243F98.9Very high98.3Very high5 Ų521 Ų212%0.02213%0.125CC..EExtended strand (participates in β ladder)trans-110.8144.2162.7-70.2-22.9000111.5A113 F116 L117 F210 P211 V212 F213 L262 I263 F264 V275A113-F243 HydrophobicContact CB-CB 4.16Å; A113-F243 HydrophobicContact CB-CD2 3.57Å; A113-F243 HydrophobicContact CB-CE2 4.34Å; A113-F243 HydrophobicContact CB-CG 4.24Å; F116-F243 HydrophobicContact CB-CE2 4.01Å; F116-F243 HydrophobicContact CB-CZ 4.32Å; F116-F243 AromaticContact CD1-CE2 3.75Å; F116-F243 HydrophobicContact CD1-CE2 3.75Å; F116-F243 AromaticContact CD1-CZ 3.53Å; F116-F243 HydrophobicContact CD1-CZ 3.53Å; F116-F243 HydrophobicContact CD2-CZ 4.4Å; F116-F243 AromaticContact CE1-CZ 3.91Å; F116-F243 HydrophobicContact CE1-CZ 3.91Å; F116-F243 AromaticContact CG-CE2 3.99Å; F116-F243 HydrophobicContact CG-CE2 3.99Å; F116-F243 AromaticContact CG-CZ 3.84Å; F116-F243 HydrophobicContact CG-CZ 3.84Å; F116-F243 HydrophobicContact CZ-CZ 4.49Å; L117-F243 HydrophobicContact CD1-CD2 3.96Å; L117-F243 HydrophobicContact CD1-CE2 4.2Å; L117-F243 HydrophobicContact CD2-CE2 4.19Å; L117-F243 HydrophobicContact CG-CD2 4.13Å; L117-F243 HydrophobicContact CG-CE2 3.84Å; F210-F243 HydrophobicContact CE1-CB 4.31Å; F210-F243 HydrophobicContact CE1-CD1 4.43Å; F210-F243 AromaticContact CE1-CD2 3.96Å; F210-F243 HydrophobicContact CE1-CD2 3.96Å; F210-F243 HydrophobicContact CE1-CE2 4.47Å; F210-F243 AromaticContact CE1-CG 3.97Å; F210-F243 HydrophobicContact CE1-CG 3.97Å; F210-F243 HydrophobicContact CZ-CD1 4.31Å; F210-F243 HydrophobicContact CZ-CD2 4.44Å; F210-F243 HydrophobicContact CZ-CE1 4.47Å; F210-F243 HydrophobicContact CZ-CG 4.31Å; P211-F243 PolarHBondContact O-N 3.13Å; V212-F243 CarbonylContact C-O 2.98Å; V212-F243 WeakPolarHBondContact CA-O 3.24Å; V212-F243 HydrophobicContact CG1-CB 4.42Å; V212-F243 HydrophobicContact CG2-CB 4.34Å; F213-F243 PolarHBondContact N-O 3.23Å; F243-L262 HydrophobicContact CB-CD1 4.02Å; F243-L262 HydrophobicContact CG-CD1 4.24Å; F243-I263 CarbonylContact C-O 3.24Å; F243-I263 WeakPolarHBondContact CA-O 3.3Å; F243-F264 HydrophobicContact CD1-CB 3.49Å; F243-F264 VanDerWaalsContact CD1-CB 3.49Å; F243-F264 HydrophobicContact CE1-CB 3.38Å; F243-F264 HydrophobicContact CE1-CG 4.43Å; F243-V275 HydrophobicContact CE1-CG1 4.11Å; F243-V275 HydrophobicContact CZ-CG1 4.37Å
244V99Very high98.3Very high0 Ų018.6 Ų18.60%012%0.117CC..EExtended strand (participates in β ladder)trans-125113171.7-167.80000108.9V85 F213 M215 V232 M242 Q246 I263V85-V244 HydrophobicContact CG1-CG1 4.26Å; F213-V244 HydrophobicContact CB-CB 4.4Å; F213-V244 HydrophobicContact CB-CG1 3.99Å; F213-V244 HydrophobicContact CB-CG2 4.31Å; F213-V244 CarbonylContact O-C 3.56Å; F213-V244 WeakPolarHBondContact O-CA 3.29Å; M215-V244 HydrophobicContact CB-CG1 4.07Å; M215-V244 HydrophobicContact SD-CG1 4.49Å; V232-V244 HydrophobicContact CG1-CG2 3.66Å; V232-V244 HydrophobicContact CG2-CG1 4.35Å; M242-V244 HydrophobicContact CG-CG2 4.25Å; M242-V244 HydrophobicContact SD-CG2 4.14Å; V244-Q246 PolarHBondContact O-N 3.49Å; V244-I263 HydrophobicContact CB-CB 4.06Å; V244-I263 HydrophobicContact CB-CD1 4.31Å; V244-I263 HydrophobicContact CG2-CB 4.45Å; V244-I263 PolarHBondContact N-O 2.82Å; V244-I263 PolarHBondContact O-N 2.87Å
245A99Very high98.2Very high0 Ų020 Ų200%012%0.121CC..EExtended strand (participates in β ladder)trans-86.995173.800000109.9A109 V110 F213 M215A109-A245 HydrophobicContact CB-CB 3.56Å; V110-A245 HydrophobicContact CG2-CB 3.59Å; F213-A245 PolarHBondContact O-N 2.98Å; M215-A245 PolarHBondContact N-O 3.06Å
246Q98.9Very high98.1Very high1 Ų127.1 Ų27.11%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-92.1136.7-178.5-170.9-175.825.500110.9A81 V85 V244 F248 G260 N261A81-Q246 PolarHBondContact O-NE2 3.45Å; A81-Q246 VanDerWaalsContact O-NE2 3.12Å; A81-Q246 PolarHBondContact O-OE1 2.8Å; V85-Q246 HydrophobicContact CG2-CG 4.2Å; V244-Q246 PolarHBondContact O-N 3.49Å; Q246-F248 HydrophobicContact CG-CE2 4.34Å; Q246-F248 HydrophobicContact CG-CZ 4.16Å; Q246-G260 WeakPolarHBondContact O-CA 3.32Å; Q246-N261 HydrophobicContact CB-CB 4.23Å; Q246-N261 WeakPolarHBondContact CB-O 3.38Å; Q246-N261 PolarHBondContact N-O 3.16Å; Q246-N261 PolarHBondContact O-N 2.92Å
247S98.9Very high98.1Very high2 Ų229.9 Ų29.91%0.01417%0.17CC..EExtended strand (participates in β ladder)trans-123137.4176.7151.50000111.7M215 S249M215-S247 PolarHBondContact O-N 2.82Å; M215-S247 VanDerWaalsContact O-N 3.12Å; S247-S249 PolarHBondContact OG-N 3.42Å
248F98.8Very high98.2Very high0 Ų028.9 Ų28.90%015%0.152CC..  trans-102.15.9171.7-62.2-75000113.8M77 A81 L84 Q246 K250 N251 F252 V259 N261 V298 L302M77-F248 HydrophobicContact SD-CE2 4.23Å; A81-F248 HydrophobicContact CB-CE2 3.91Å; A81-F248 HydrophobicContact CB-CZ 3.61Å; L84-F248 HydrophobicContact CD2-CE1 4.03Å; Q246-F248 HydrophobicContact CG-CE2 4.34Å; Q246-F248 HydrophobicContact CG-CZ 4.16Å; F248-K250 PolarHBondContact O-N 3.32Å; F248-N251 VanDerWaalsContact CA-OD1 3.28Å; F248-N251 WeakPolarHBondContact CA-OD1 3.34Å; F248-F252 HydrophobicContact CB-CB 4.44Å; F248-F252 HydrophobicContact CB-CD2 4.3Å; F248-F252 AromaticContact CD1-CD2 3.59Å; F248-F252 HydrophobicContact CD1-CD2 3.59Å; F248-F252 AromaticContact CD1-CE2 3.74Å; F248-F252 HydrophobicContact CD1-CE2 3.74Å; F248-F252 HydrophobicContact CE1-CD2 4.39Å; F248-F252 HydrophobicContact CE1-CE2 4.09Å; F248-F252 HydrophobicContact CG-CD2 4.36Å; F248-F252 WeakPolarHBondContact O-CB 3.4Å; F248-F252 PolarHBondContact O-N 2.85Å; F248-V259 HydrophobicContact CB-CB 4.15Å; F248-V259 HydrophobicContact CB-CG1 4.41Å; F248-V259 HydrophobicContact CD2-CB 4.42Å; F248-V259 HydrophobicContact CD2-CG1 3.91Å; F248-V259 PolarHBondContact N-O 3.39Å; F248-N261 HydrophobicContact CE2-CB 4.49Å; F248-V298 HydrophobicContact CB-CG2 4.1Å; F248-V298 HydrophobicContact CD1-CG1 4.18Å; F248-V298 HydrophobicContact CD1-CG2 4.42Å; F248-V298 HydrophobicContact CD2-CG1 4.24Å; F248-V298 HydrophobicContact CD2-CG2 4.42Å; F248-V298 HydrophobicContact CE1-CG1 4.05Å; F248-V298 HydrophobicContact CE2-CG1 4.11Å; F248-V298 HydrophobicContact CG-CG1 4.26Å; F248-V298 HydrophobicContact CG-CG2 4.06Å; F248-V298 HydrophobicContact CZ-CG1 4.01Å; F248-L302 HydrophobicContact CE1-CD1 4.29Å; F248-L302 HydrophobicContact CZ-CD1 4.34Å
249S98.6Very high98.3Very high3 Ų326.4 Ų26.42%0.02114%0.139CC..THydrogen-bonded Turntrans-60.3-33.1-178.2-70.30000113.5S247 G253 L254 Y255 R258S247-S249 PolarHBondContact OG-N 3.42Å; S249-G253 CarbonylContact O-C 3.59Å; S249-G253 WeakPolarHBondContact O-CA 3.41Å; S249-L254 PolarHBondContact O-N 3.33Å; S249-Y255 WeakPolarHBondContact O-CD1 3.46Å; S249-Y255 VanDerWaalsContact O-CE1 3.3Å; S249-Y255 WeakPolarHBondContact O-CE1 3.47Å; S249-Y255 PolarHBondContact O-N 3.36Å; S249-Y255 PolarHBondContact OG-O 3.37Å; S249-R258 PolarHBondContact OG-NH1 3.2Å
250K97.7Very high98.4Very high44 Ų4424.4 Ų24.419%0.19112%0.119CC..THydrogen-bonded Turntrans-101.3-53.9-173.4-74.470.9174.7-178.70111.5Y217 F220 F248 F252 G253 Y255 M351Y217-K250 HydrophobicContact CD1-CB 4.4Å; Y217-K250 HydrophobicContact CD1-CG 4.18Å; Y217-K250 HydrophobicContact CE1-CD 4.29Å; Y217-K250 HydrophobicContact CE1-CG 3.81Å; F220-K250 HydrophobicContact CE2-CB 3.86Å; F220-K250 HydrophobicContact CZ-CB 4.27Å; F248-K250 PolarHBondContact O-N 3.32Å; K250-F252 VanDerWaalsContact C-N 3.3Å; K250-F252 PolarHBondContact O-N 2.86Å; K250-G253 PolarHBondContact O-N 3.03Å; K250-Y255 HydrophobicContact CD-CE1 4.46Å; K250-Y255 HydrophobicContact CG-CE1 4.17Å; K250-M351 HydrophobicContact CB-SD 4.26Å; K250-M351 HydrophobicContact CG-SD 3.71Å
251N97.8Very high98.4Very high1 Ų123.7 Ų23.71%0.00512%0.116CC..THydrogen-bonded Turntrans-70.8-22-174.560.92.3000114.2Q218 F220 F248 W311Q218-N251 WeakPolarHBondContact O-CB 3.38Å; Q218-N251 PolarHBondContact O-ND2 2.71Å; F220-N251 HydrophobicContact CD2-CB 4.43Å; F220-N251 HydrophobicContact CE2-CB 3.91Å; F248-N251 VanDerWaalsContact CA-OD1 3.28Å; F248-N251 WeakPolarHBondContact CA-OD1 3.34Å; N251-W311 HydrophobicContact CB-CZ2 4.15Å; N251-W311 PolarHBondContact O-NE1 3.33Å
252F98.5Very high98.4Very high1 Ų120.5 Ų20.50%0.00410%0.101CC..THydrogen-bonded Turntrans-102.5-5166.7-83.8-107.5000113.4V51 F248 K250 L254 V298 I301 L302 W311V51-F252 HydrophobicContact CG2-CD1 4.33Å; F248-F252 HydrophobicContact CB-CB 4.44Å; F248-F252 HydrophobicContact CB-CD2 4.3Å; F248-F252 AromaticContact CD1-CD2 3.59Å; F248-F252 HydrophobicContact CD1-CD2 3.59Å; F248-F252 AromaticContact CD1-CE2 3.74Å; F248-F252 HydrophobicContact CD1-CE2 3.74Å; F248-F252 HydrophobicContact CE1-CD2 4.39Å; F248-F252 HydrophobicContact CE1-CE2 4.09Å; F248-F252 HydrophobicContact CG-CD2 4.36Å; F248-F252 WeakPolarHBondContact O-CB 3.4Å; F248-F252 PolarHBondContact O-N 2.85Å; K250-F252 VanDerWaalsContact C-N 3.3Å; K250-F252 PolarHBondContact O-N 2.86Å; F252-L254 HydrophobicContact CB-CB 4.33Å; F252-L254 HydrophobicContact CB-CD1 3.76Å; F252-L254 HydrophobicContact CB-CG 3.74Å; F252-L254 HydrophobicContact CD1-CD1 4.25Å; F252-L254 HydrophobicContact CG-CD1 4.33Å; F252-L254 PolarHBondContact O-N 3.47Å; F252-V298 HydrophobicContact CD1-CG2 3.97Å; F252-V298 HydrophobicContact CD2-CG2 4.44Å; F252-V298 HydrophobicContact CE1-CB 4.48Å; F252-V298 HydrophobicContact CE1-CG2 4.1Å; F252-V298 HydrophobicContact CG-CG2 4.14Å; F252-V298 HydrophobicContact CZ-CG1 4.28Å; F252-V298 HydrophobicContact CZ-CG2 4.4Å; F252-I301 HydrophobicContact CD1-CD1 4.07Å; F252-I301 HydrophobicContact CE1-CB 3.8Å; F252-I301 HydrophobicContact CE1-CD1 3.64Å; F252-I301 HydrophobicContact CE1-CG1 4.26Å; F252-I301 HydrophobicContact CE1-CG2 3.72Å; F252-I301 HydrophobicContact CZ-CB 4.29Å; F252-I301 HydrophobicContact CZ-CG2 3.95Å; F252-L302 HydrophobicContact CE2-CD2 4.14Å; F252-L302 HydrophobicContact CZ-CD2 3.73Å; F252-L302 HydrophobicContact CZ-CG 3.97Å; F252-W311 AromaticContact CD2-CE2 3.67Å; F252-W311 AromaticContact CD2-CZ2 3.82Å; F252-W311 HydrophobicContact CD2-CZ2 3.82Å; F252-W311 AromaticContact CD2-NE1 3.38Å; F252-W311 AromaticContact CE1-CD1 3.96Å; F252-W311 HydrophobicContact CE1-CG 4.32Å; F252-W311 AromaticContact CE2-CD2 3.95Å; F252-W311 HydrophobicContact CE2-CD2 3.95Å; F252-W311 AromaticContact CE2-CE2 3.27Å; F252-W311 HydrophobicContact CE2-CG 4.41Å; F252-W311 HydrophobicContact CE2-CH2 4.13Å; F252-W311 AromaticContact CE2-CZ2 3.38Å; F252-W311 HydrophobicContact CE2-CZ2 3.38Å; F252-W311 AromaticContact CE2-NE1 3.41Å; F252-W311 AromaticContact CG-NE1 3.73Å; F252-W311 AromaticContact CZ-CD1 3.96Å; F252-W311 AromaticContact CZ-CD2 3.92Å; F252-W311 HydrophobicContact CZ-CD2 3.92Å; F252-W311 AromaticContact CZ-CE2 3.71Å; F252-W311 HydrophobicContact CZ-CG 4.08Å; F252-W311 HydrophobicContact CZ-CZ2 4.2Å; F252-W311 AromaticContact CZ-NE1 3.76Å
253G97.8Very high98.4Very high19 Ų1920.5 Ų20.520%0.19610%0.101CC..  trans65.417.2-171.400000114.3S249 K250 Y255S249-G253 CarbonylContact O-C 3.59Å; S249-G253 WeakPolarHBondContact O-CA 3.41Å; K250-G253 PolarHBondContact O-N 3.03Å; G253-Y255 VanDerWaalsContact C-N 3.26Å; G253-Y255 WeakPolarHBondContact O-CD2 3.46Å; G253-Y255 WeakPolarHBondContact O-CE2 3.41Å; G253-Y255 PolarHBondContact O-N 2.75Å; G253-Y255 VanDerWaalsContact O-N 3.13Å
254L98.5Very high98.4Very high9 Ų920.3 Ų20.35%0.04710%0.1CC..  trans-89.653.8-177.3-63.9176.7000111.5V51 S249 F252 N256 E257 V259 I297 V298V51-L254 HydrophobicContact CG1-CD2 3.93Å; S249-L254 PolarHBondContact O-N 3.33Å; F252-L254 HydrophobicContact CB-CB 4.33Å; F252-L254 HydrophobicContact CB-CD1 3.76Å; F252-L254 HydrophobicContact CB-CG 3.74Å; F252-L254 HydrophobicContact CD1-CD1 4.25Å; F252-L254 HydrophobicContact CG-CD1 4.33Å; F252-L254 PolarHBondContact O-N 3.47Å; L254-N256 PolarHBondContact O-N 3.23Å; L254-E257 HydrophobicContact CB-CB 4.09Å; L254-E257 HydrophobicContact CB-CG 4.26Å; L254-E257 HydrophobicContact CD2-CG 4.01Å; L254-V259 HydrophobicContact CD1-CG2 4.26Å; L254-I297 HydrophobicContact CD1-CB 4.37Å; L254-I297 HydrophobicContact CD1-CG2 4.13Å; L254-I297 HydrophobicContact CD2-CD1 4.25Å; L254-V298 HydrophobicContact CD1-CG2 3.71Å
255Y97.6Very high98.4Very high55 Ų5520.5 Ų20.522%0.21610%0.101CC..THydrogen-bonded Turntrans-55-53.3-171.3-57.6-86.3000112.5A37 Y38 S249 K250 G253 R258A37-Y255 HydrophobicContact CB-CD1 4.35Å; A37-Y255 HydrophobicContact CB-CE1 3.85Å; Y38-Y255 VanDerWaalsContact CB-OH 3.3Å; Y38-Y255 WeakPolarHBondContact CB-OH 3.41Å; Y38-Y255 PolarHBondContact N-OH 3Å; S249-Y255 WeakPolarHBondContact O-CD1 3.46Å; S249-Y255 VanDerWaalsContact O-CE1 3.3Å; S249-Y255 WeakPolarHBondContact O-CE1 3.47Å; S249-Y255 PolarHBondContact O-N 3.36Å; S249-Y255 PolarHBondContact OG-O 3.37Å; K250-Y255 HydrophobicContact CD-CE1 4.46Å; K250-Y255 HydrophobicContact CG-CE1 4.17Å; G253-Y255 VanDerWaalsContact C-N 3.26Å; G253-Y255 WeakPolarHBondContact O-CD2 3.46Å; G253-Y255 WeakPolarHBondContact O-CE2 3.41Å; G253-Y255 PolarHBondContact O-N 2.75Å; G253-Y255 VanDerWaalsContact O-N 3.13Å; Y255-R258 PolarHBondContact O-NH1 3.04Å
256N96Very high98.4Very high149 Ų14920.9 Ų20.980%0.79710%0.103SC*.THydrogen-bonded Turntrans-95.3-7.6-173.1-72.5-11.9000114.2L254 R258L254-N256 PolarHBondContact O-N 3.23Å; N256-R258 WeakPolarHBondContact O-CG 3.49Å; N256-R258 PolarHBondContact O-N 2.97Å
257E98.5Very high98.3Very high68 Ų6825 Ų2532%0.31813%0.125SC..THydrogen-bonded Turntrans-73.7-10.6172.4-63.8-57.4143.200113L254 V259 H293L254-E257 HydrophobicContact CB-CB 4.09Å; L254-E257 HydrophobicContact CB-CG 4.26Å; L254-E257 HydrophobicContact CD2-CG 4.01Å; E257-V259 HydrophobicContact CB-CG2 3.85Å; E257-V259 PolarHBondContact O-N 3.28Å; E257-H293 IonicContact OE2-CD2 2.82Å
258R98.6Very high98.3Very high73 Ų7327.5 Ų27.528%0.27514%0.138SC..THydrogen-bonded Turntrans5448174.9-48.5-47.1-54.4126.67113T103 L104 G105 S249 Y255 N256T103-R258 VanDerWaalsContact O-O 3.1Å; L104-R258 CarbonylContact C-O 3.48Å; L104-R258 WeakPolarHBondContact CA-O 3.09Å; L104-R258 HydrophobicContact CB-CB 4.45Å; L104-R258 HydrophobicContact CD2-CB 4.49Å; L104-R258 PolarHBondContact O-NH2 3.47Å; G105-R258 VanDerWaalsContact N-C 3.34Å; G105-R258 PolarHBondContact N-O 3.39Å; S249-R258 PolarHBondContact OG-NH1 3.2Å; Y255-R258 PolarHBondContact O-NH1 3.04Å; N256-R258 WeakPolarHBondContact O-CG 3.49Å; N256-R258 PolarHBondContact O-N 2.97Å
259V98.8Very high98.3Very high1 Ų130.2 Ų30.21%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-92.2118.8178.6-163.80000110.4F248 L254 E257 G294 A295 V298F248-V259 HydrophobicContact CB-CB 4.15Å; F248-V259 HydrophobicContact CB-CG1 4.41Å; F248-V259 HydrophobicContact CD2-CB 4.42Å; F248-V259 HydrophobicContact CD2-CG1 3.91Å; F248-V259 PolarHBondContact N-O 3.39Å; L254-V259 HydrophobicContact CD1-CG2 4.26Å; E257-V259 HydrophobicContact CB-CG2 3.85Å; E257-V259 PolarHBondContact O-N 3.28Å; V259-G294 VanDerWaalsContact CG2-CA 3.45Å; V259-A295 HydrophobicContact CG1-CB 4.31Å; V259-V298 HydrophobicContact CG1-CB 4.41Å; V259-V298 HydrophobicContact CG1-CG2 3.94Å
260G98.9Very high98.3Very high0 Ų034.4 Ų34.40%018%0.182CC..EExtended strand (participates in β ladder)trans-146.8172.6175.700000111.7Q102 T103 Q246Q102-G260 WeakPolarHBondContact CA-O 3.43Å; T103-G260 PolarHBondContact N-O 3.41Å; T103-G260 PolarHBondContact O-N 2.68Å; T103-G260 VanDerWaalsContact O-N 3.09Å; Q246-G260 WeakPolarHBondContact O-CA 3.32Å
261N98.9Very high98.3Very high0 Ų034.6 Ų34.60%019%0.186CC..EExtended strand (participates in β ladder)trans-143.9134.1179.3-16841.7000109.3A81 S100 C101 T103 Q246 F248 I263A81-N261 HydrophobicContact CB-CB 4.2Å; S100-N261 VanDerWaalsContact CB-ND2 3.32Å; S100-N261 WeakPolarHBondContact CB-ND2 3.5Å; S100-N261 VanDerWaalsContact CB-OD1 3.26Å; S100-N261 WeakPolarHBondContact CB-OD1 3.48Å; S100-N261 PolarHBondContact OG-ND2 2.69Å; S100-N261 PolarHBondContact OG-OD1 2.93Å; C101-N261 VanDerWaalsContact C-OD1 3.32Å; C101-N261 PolarHBondContact O-OD1 3.07Å; C101-N261 VanDerWaalsContact O-OD1 3.11Å; T103-N261 PolarHBondContact OG1-N 3.42Å; Q246-N261 HydrophobicContact CB-CB 4.23Å; Q246-N261 WeakPolarHBondContact CB-O 3.38Å; Q246-N261 PolarHBondContact N-O 3.16Å; Q246-N261 PolarHBondContact O-N 2.92Å; F248-N261 HydrophobicContact CE2-CB 4.49Å; N261-I263 WeakPolarHBondContact ND2-CG1 3.28Å
262L99Very high98.3Very high0 Ų034.7 Ų34.70%019%0.187CC..EExtended strand (participates in β ladder)trans-103.5107.7170.4175.261.7000108.1S100 C101 T103 A109 L112 A113 F243 V279S100-L262 WeakPolarHBondContact CA-O 3.45Å; S100-L262 WeakPolarHBondContact CB-O 3.42Å; C101-L262 PolarHBondContact N-O 3.18Å; C101-L262 VanDerWaalsContact N-O 3.09Å; C101-L262 PolarHBondContact O-N 3.23Å; T103-L262 HydrophobicContact CG2-CB 3.73Å; A109-L262 HydrophobicContact CB-CB 4.15Å; L112-L262 HydrophobicContact CB-CD2 3.77Å; A113-L262 HydrophobicContact CB-CD1 3.98Å; F243-L262 HydrophobicContact CB-CD1 4.02Å; F243-L262 HydrophobicContact CG-CD1 4.24Å; L262-V279 HydrophobicContact CD2-CG1 4.43Å; L262-V279 HydrophobicContact CD2-CG2 4.47Å
263I98.9Very high98.3Very high0 Ų038.3 Ų38.30%021%0.212CC..EExtended strand (participates in β ladder)trans-89.1138.2174.2-52.2165.9000108.2T82 V85 L86 D99 F243 V244 N261 I265T82-I263 HydrophobicContact CG2-CD1 4.33Å; T82-I263 HydrophobicContact CG2-CG1 4.38Å; T82-I263 HydrophobicContact CG2-CG2 3.95Å; V85-I263 HydrophobicContact CB-CD1 3.77Å; V85-I263 HydrophobicContact CG1-CD1 4.2Å; V85-I263 HydrophobicContact CG2-CD1 3.61Å; L86-I263 HydrophobicContact CD1-CG2 4.38Å; D99-I263 WeakPolarHBondContact O-CA 3.23Å; F243-I263 CarbonylContact C-O 3.24Å; F243-I263 WeakPolarHBondContact CA-O 3.3Å; V244-I263 HydrophobicContact CB-CB 4.06Å; V244-I263 HydrophobicContact CB-CD1 4.31Å; V244-I263 HydrophobicContact CG2-CB 4.45Å; V244-I263 PolarHBondContact N-O 2.82Å; V244-I263 PolarHBondContact O-N 2.87Å; N261-I263 WeakPolarHBondContact ND2-CG1 3.28Å; I263-I265 HydrophobicContact CG2-CG1 4.49Å
264F98.8Very high98.4Very high0 Ų042.8 Ų42.80%023%0.228CC..EExtended strand (participates in β ladder)trans-126.9129.2171.842.8-90.6000110.1A98 D99 F243 T272 V275 K276A98-F264 WeakPolarHBondContact CA-O 3.44Å; D99-F264 HydrophobicContact CB-CD2 4.4Å; D99-F264 HydrophobicContact CB-CE2 3.63Å; D99-F264 HydrophobicContact CB-CZ 3.89Å; D99-F264 PolarHBondContact N-O 2.91Å; D99-F264 PolarHBondContact O-N 3.37Å; F243-F264 HydrophobicContact CD1-CB 3.49Å; F243-F264 VanDerWaalsContact CD1-CB 3.49Å; F243-F264 HydrophobicContact CE1-CB 3.38Å; F243-F264 HydrophobicContact CE1-CG 4.43Å; F264-T272 HydrophobicContact CD2-CG2 4.02Å; F264-T272 HydrophobicContact CE2-CG2 3.72Å; F264-V275 HydrophobicContact CB-CG1 3.89Å; F264-V275 HydrophobicContact CD1-CG1 4.03Å; F264-V275 HydrophobicContact CD2-CB 4.01Å; F264-V275 HydrophobicContact CD2-CG1 3.56Å; F264-V275 HydrophobicContact CE1-CG1 4.48Å; F264-V275 HydrophobicContact CE2-CB 4.27Å; F264-V275 HydrophobicContact CE2-CG1 4.04Å; F264-V275 HydrophobicContact CG-CB 4.49Å; F264-V275 HydrophobicContact CG-CG1 3.56Å; F264-V275 HydrophobicContact CZ-CG1 4.49Å; F264-K276 HydrophobicContact CE2-CB 3.91Å; F264-K276 HydrophobicContact CZ-CB 3.56Å; F264-K276 HydrophobicContact CZ-CD 4.08Å; F264-K276 HydrophobicContact CZ-CG 3.89Å
265I98.8Very high98.4Very high4 Ų443 Ų432%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-109.6128.1175.9-62.6172000107.1L86 L92 K97 A98 A236 E241 M242 I263L86-I265 HydrophobicContact CD1-CD1 4.16Å; L86-I265 HydrophobicContact CD1-CG1 4.42Å; L86-I265 HydrophobicContact CD2-CD1 3.8Å; L92-I265 HydrophobicContact CD1-CD1 4.22Å; L92-I265 HydrophobicContact CD1-CG2 3.85Å; K97-I265 WeakPolarHBondContact O-CA 3.26Å; A98-I265 HydrophobicContact CB-CG1 4.07Å; A236-I265 HydrophobicContact CB-CD1 3.94Å; E241-I265 VanDerWaalsContact CA-O 3.26Å; E241-I265 WeakPolarHBondContact CA-O 3.35Å; E241-I265 WeakPolarHBondContact CB-O 3.46Å; M242-I265 HydrophobicContact CE-CD1 3.73Å; M242-I265 HydrophobicContact CG-CB 4.12Å; M242-I265 HydrophobicContact CG-CD1 3.88Å; M242-I265 HydrophobicContact CG-CG1 4.27Å; M242-I265 PolarHBondContact N-O 3.37Å; M242-I265 VanDerWaalsContact N-O 3.15Å; M242-I265 PolarHBondContact O-N 2.99Å; M242-I265 HydrophobicContact SD-CD1 3.92Å; I263-I265 HydrophobicContact CG2-CG1 4.49Å
266T98.6Very high98.4Very high9 Ų942.3 Ų42.36%0.05523%0.228CC..  trans-130.9170-179.168.70000111.2K97 E241 D268 T271 T272 V275K97-T266 WeakPolarHBondContact CB-O 3.41Å; K97-T266 PolarHBondContact O-N 3.3Å; E241-T266 WeakPolarHBondContact OE1-CA 3.35Å; E241-T266 WeakPolarHBondContact OE1-CB 3.45Å; T266-D268 PolarHBondContact O-N 3.24Å; T266-D268 PolarHBondContact OG1-O 2.92Å; T266-T271 HydrophobicContact CG2-CG2 4.11Å; T266-T272 WeakPolarHBondContact OG1-CA 3.46Å; T266-T272 PolarHBondContact OG1-N 2.68Å; T266-T272 PolarHBondContact OG1-OG1 3.49Å; T266-V275 HydrophobicContact CG2-CG2 3.89Å
267N97Very high98.6Very high87 Ų8737.9 Ų37.947%0.46521%0.209SC..SBendtrans-71.3-29.1-176.9-73.7-43000114.5K97 E241K97-N267 VanDerWaalsContact CD-O 3.31Å; K97-N267 WeakPolarHBondContact CD-O 3.33Å; K97-N267 WeakPolarHBondContact CE-O 3.48Å; K97-N267 PolarHBondContact NZ-O 2.77Å; E241-N267 WeakPolarHBondContact CG-ND2 3.35Å; E241-N267 PolarHBondContact OE1-N 2.92Å; E241-N267 PolarHBondContact OE1-ND2 3.14Å; E241-N267 PolarHBondContact OE2-ND2 3.1Å
268D97.9Very high98.6Very high54 Ų5438.1 Ų38.129%0.28921%0.21SC..SBendtrans-149.7162.3-176.675.286.2000112.7T266 V270 T271 T272T266-D268 PolarHBondContact O-N 3.24Å; T266-D268 PolarHBondContact OG1-O 2.92Å; D268-V270 VanDerWaalsContact C-N 3.34Å; D268-V270 PolarHBondContact O-N 3.1Å; D268-V270 WeakPolarHBondContact OD1-CA 3.1Å; D268-V270 WeakPolarHBondContact OD1-CB 3.1Å; D268-V270 PolarHBondContact OD1-N 2.85Å; D268-T271 PolarHBondContact O-N 3.06Å; D268-T271 PolarHBondContact OD1-N 3.46Å; D268-T271 VanDerWaalsContact OD2-CB 3.27Å; D268-T271 WeakPolarHBondContact OD2-CB 3.24Å; D268-T271 PolarHBondContact OD2-OG1 2.94Å; D268-T272 PolarHBondContact O-N 3.36Å; D268-T272 PolarHBondContact O-OG1 3.16Å
269P98.4Very high98.6Very high57 Ų5734.6 Ų34.637%0.3720%0.196SC..Hα-helixtrans-68.2-27.7-175.6-23.237.2000115.1S95 K96 T272 S273S95-P269 WeakPolarHBondContact O-CG 3.24Å; K96-P269 HydrophobicContact CB-CB 4.01Å; K96-P269 HydrophobicContact CB-CG 4.35Å; K96-P269 WeakPolarHBondContact O-CA 3.11Å; P269-T272 PolarHBondContact O-N 3.12Å; P269-S273 PolarHBondContact O-N 2.81Å
270V98.6Very high98.6Very high92 Ų9238.7 Ų38.756%0.55821%0.214SC*.Hα-helixtrans-69.3-47.1178.4179.40000108.4D268 T272 S273 H274D268-V270 VanDerWaalsContact C-N 3.34Å; D268-V270 PolarHBondContact O-N 3.1Å; D268-V270 WeakPolarHBondContact OD1-CA 3.1Å; D268-V270 WeakPolarHBondContact OD1-CB 3.1Å; D268-V270 PolarHBondContact OD1-N 2.85Å; V270-T272 VanDerWaalsContact C-N 3.33Å; V270-T272 PolarHBondContact O-N 2.79Å; V270-S273 WeakPolarHBondContact O-CB 3.47Å; V270-S273 PolarHBondContact O-N 3.13Å; V270-H274 PolarHBondContact O-N 3.39Å
271T98.4Very high98.6Very high47 Ų4742.9 Ų42.929%0.28824%0.236SC..Hα-helixtrans-60.6-41.3173.5-58.60000111.6T266 D268 S273 H274 V275T266-T271 HydrophobicContact CG2-CG2 4.11Å; D268-T271 PolarHBondContact O-N 3.06Å; D268-T271 PolarHBondContact OD1-N 3.46Å; D268-T271 VanDerWaalsContact OD2-CB 3.27Å; D268-T271 WeakPolarHBondContact OD2-CB 3.24Å; D268-T271 PolarHBondContact OD2-OG1 2.94Å; T271-S273 VanDerWaalsContact C-N 3.31Å; T271-S273 PolarHBondContact O-N 3.1Å; T271-H274 WeakPolarHBondContact O-CB 3.41Å; T271-H274 PolarHBondContact O-N 3.37Å; T271-V275 HydrophobicContact CG2-CG2 4.45Å; T271-V275 WeakPolarHBondContact O-CG2 3.46Å; T271-V275 PolarHBondContact O-N 2.89Å
272T98.8Very high98.5Very high4 Ų443.5 Ų43.53%0.02524%0.239CC..Hα-helixtrans-56.7-44.7174.4-50.40000111.7K96 K97 D99 F264 T266 D268 P269 V270 V275 K276K96-T272 WeakPolarHBondContact O-CB 3.36Å; K96-T272 PolarHBondContact O-OG1 3.17Å; K97-T272 WeakPolarHBondContact CA-OG1 3.31Å; D99-T272 HydrophobicContact CB-CG2 3.61Å; F264-T272 HydrophobicContact CD2-CG2 4.02Å; F264-T272 HydrophobicContact CE2-CG2 3.72Å; T266-T272 WeakPolarHBondContact OG1-CA 3.46Å; T266-T272 PolarHBondContact OG1-N 2.68Å; T266-T272 PolarHBondContact OG1-OG1 3.49Å; D268-T272 PolarHBondContact O-N 3.36Å; D268-T272 PolarHBondContact O-OG1 3.16Å; P269-T272 PolarHBondContact O-N 3.12Å; V270-T272 VanDerWaalsContact C-N 3.33Å; V270-T272 PolarHBondContact O-N 2.79Å; T272-V275 PolarHBondContact O-N 3.11Å; T272-K276 WeakPolarHBondContact O-CB 3.29Å; T272-K276 PolarHBondContact O-N 3.24Å
273S98.6Very high98.5Very high76 Ų7643.5 Ų43.553%0.53124%0.239SC..Hα-helixtrans-63-42.7177.4-174.40000112.1P269 V270 T271 K276 S277P269-S273 PolarHBondContact O-N 2.81Å; V270-S273 WeakPolarHBondContact O-CB 3.47Å; V270-S273 PolarHBondContact O-N 3.13Å; T271-S273 VanDerWaalsContact C-N 3.31Å; T271-S273 PolarHBondContact O-N 3.1Å; S273-K276 PolarHBondContact O-N 3.06Å; S273-S277 PolarHBondContact O-N 2.95Å
274H98.6Very high98.5Very high114 Ų11450.7 Ų50.753%0.52827%0.266SS..Hα-helixtrans-60.3-49.2174.9-65.4161.5000111.6V270 T271 K276 S277 Q278V270-H274 PolarHBondContact O-N 3.39Å; T271-H274 WeakPolarHBondContact O-CB 3.41Å; T271-H274 PolarHBondContact O-N 3.37Å; H274-K276 VanDerWaalsContact C-N 3.34Å; H274-K276 PolarHBondContact O-N 3.37Å; H274-S277 PolarHBondContact O-N 3.17Å; H274-S277 PolarHBondContact O-OG 2.55Å; H274-Q278 WeakPolarHBondContact O-CG 3.48Å; H274-Q278 PolarHBondContact O-N 2.91Å; H274-Q278 VanDerWaalsContact O-N 3.13Å
275V98.8Very high98.5Very high14 Ų1457.9 Ų57.99%0.08530%0.3CS..Hα-helixtrans-56.3-48.8176173.80000110.6F116 F243 F264 T266 T271 T272 S277 Q278 V279F116-V275 HydrophobicContact CE2-CB 4.43Å; F116-V275 HydrophobicContact CE2-CG1 3.96Å; F116-V275 HydrophobicContact CZ-CB 4.3Å; F116-V275 HydrophobicContact CZ-CG1 4.04Å; F116-V275 HydrophobicContact CZ-CG2 3.95Å; F243-V275 HydrophobicContact CE1-CG1 4.11Å; F243-V275 HydrophobicContact CZ-CG1 4.37Å; F264-V275 HydrophobicContact CB-CG1 3.89Å; F264-V275 HydrophobicContact CD1-CG1 4.03Å; F264-V275 HydrophobicContact CD2-CB 4.01Å; F264-V275 HydrophobicContact CD2-CG1 3.56Å; F264-V275 HydrophobicContact CE1-CG1 4.48Å; F264-V275 HydrophobicContact CE2-CB 4.27Å; F264-V275 HydrophobicContact CE2-CG1 4.04Å; F264-V275 HydrophobicContact CG-CB 4.49Å; F264-V275 HydrophobicContact CG-CG1 3.56Å; F264-V275 HydrophobicContact CZ-CG1 4.49Å; T266-V275 HydrophobicContact CG2-CG2 3.89Å; T271-V275 HydrophobicContact CG2-CG2 4.45Å; T271-V275 WeakPolarHBondContact O-CG2 3.46Å; T271-V275 PolarHBondContact O-N 2.89Å; T272-V275 PolarHBondContact O-N 3.11Å; V275-S277 VanDerWaalsContact C-N 3.33Å; V275-S277 PolarHBondContact O-N 2.73Å; V275-Q278 PolarHBondContact O-N 3.35Å; V275-V279 HydrophobicContact CG1-CG2 4.15Å; V275-V279 WeakPolarHBondContact O-CG2 3.46Å; V275-V279 PolarHBondContact O-N 3.06Å
276K98.7Very high98.4Very high39 Ų3960.6 Ų60.617%0.1732%0.317CS..Hα-helixtrans-58.6-42.8179.1-169.9157.4-176.2164.10112.6D99 F264 T272 S273 H274 Q278 V279 K280D99-K276 IonicContact OD1-NZ 2.97Å; D99-K276 PolarHBondContact OD1-NZ 3.42Å; D99-K276 WeakPolarHBondContact OD2-CD 3.48Å; D99-K276 WeakPolarHBondContact OD2-CE 3.43Å; D99-K276 IonicContact OD2-NZ 3.36Å; D99-K276 PolarHBondContact OD2-NZ 3.49Å; F264-K276 HydrophobicContact CE2-CB 3.91Å; F264-K276 HydrophobicContact CZ-CB 3.56Å; F264-K276 HydrophobicContact CZ-CD 4.08Å; F264-K276 HydrophobicContact CZ-CG 3.89Å; T272-K276 WeakPolarHBondContact O-CB 3.29Å; T272-K276 PolarHBondContact O-N 3.24Å; S273-K276 PolarHBondContact O-N 3.06Å; H274-K276 VanDerWaalsContact C-N 3.34Å; H274-K276 PolarHBondContact O-N 3.37Å; K276-Q278 VanDerWaalsContact C-N 3.33Å; K276-Q278 PolarHBondContact O-N 3.03Å; K276-V279 PolarHBondContact O-N 2.91Å; K276-K280 HydrophobicContact CG-CD 4.4Å; K276-K280 WeakPolarHBondContact O-CG 3.42Å; K276-K280 PolarHBondContact O-N 2.9Å
277S98.6Very high98.4Very high57 Ų5762.7 Ų62.740%0.39932%0.324SS..Hα-helixtrans-61.1-42.2178.874.50000112.3S273 H274 V275 K280 L281S273-S277 PolarHBondContact O-N 2.95Å; H274-S277 PolarHBondContact O-N 3.17Å; H274-S277 PolarHBondContact O-OG 2.55Å; V275-S277 VanDerWaalsContact C-N 3.33Å; V275-S277 PolarHBondContact O-N 2.73Å; S277-K280 PolarHBondContact O-N 2.97Å; S277-L281 PolarHBondContact O-N 3.43Å
278Q98.7Very high98.5Very high72 Ų7260 Ų6034%0.33631%0.312SS..Hα-helixtrans-71.6-41.5179.2-72-58.6-29.900111.8F116 I120 H274 V275 K276 K280 L281 L282F116-Q278 HydrophobicContact CD2-CB 4.28Å; F116-Q278 HydrophobicContact CE2-CB 3.66Å; I120-Q278 HydrophobicContact CD1-CB 3.7Å; I120-Q278 HydrophobicContact CD1-CG 4.14Å; I120-Q278 HydrophobicContact CG2-CG 4.49Å; H274-Q278 WeakPolarHBondContact O-CG 3.48Å; H274-Q278 PolarHBondContact O-N 2.91Å; H274-Q278 VanDerWaalsContact O-N 3.13Å; V275-Q278 PolarHBondContact O-N 3.35Å; K276-Q278 VanDerWaalsContact C-N 3.33Å; K276-Q278 PolarHBondContact O-N 3.03Å; Q278-K280 VanDerWaalsContact C-N 3.3Å; Q278-K280 PolarHBondContact O-N 3.12Å; Q278-L281 WeakPolarHBondContact O-CB 3.36Å; Q278-L281 PolarHBondContact O-N 3.03Å; Q278-L281 VanDerWaalsContact O-N 3.12Å; Q278-L282 PolarHBondContact O-N 3.21Å
279V98.7Very high98.5Very high0 Ų059 Ų590%031%0.307CS..Hα-helixtrans-59.7-41.3173.6170.90000110.9C101 F116 L262 V275 K276 L281 L282 I283C101-V279 HydrophobicContact CB-CG1 3.92Å; F116-V279 HydrophobicContact CD2-CG2 3.87Å; F116-V279 HydrophobicContact CE2-CG2 4.21Å; L262-V279 HydrophobicContact CD2-CG1 4.43Å; L262-V279 HydrophobicContact CD2-CG2 4.47Å; V275-V279 HydrophobicContact CG1-CG2 4.15Å; V275-V279 WeakPolarHBondContact O-CG2 3.46Å; V275-V279 PolarHBondContact O-N 3.06Å; K276-V279 PolarHBondContact O-N 2.91Å; V279-L281 VanDerWaalsContact C-N 3.33Å; V279-L281 PolarHBondContact O-N 2.93Å; V279-L282 PolarHBondContact O-N 3.28Å; V279-I283 HydrophobicContact CG1-CD1 3.85Å; V279-I283 HydrophobicContact CG1-CG1 4.43Å; V279-I283 WeakPolarHBondContact O-CG1 3.36Å; V279-I283 PolarHBondContact O-N 3.02Å
280K98.6Very high98.5Very high86 Ų8656.5 Ų56.537%0.37429%0.29SS..Hα-helixtrans-60.7-40.3174.5-74.5174.267.9178.90112.2V71 K276 S277 Q278 I283 R284V71-K280 HydrophobicContact CG1-CB 3.96Å; V71-K280 HydrophobicContact CG1-CG 4.27Å; V71-K280 WeakPolarHBondContact CG1-O 3.32Å; K276-K280 HydrophobicContact CG-CD 4.4Å; K276-K280 WeakPolarHBondContact O-CG 3.42Å; K276-K280 PolarHBondContact O-N 2.9Å; S277-K280 PolarHBondContact O-N 2.97Å; Q278-K280 VanDerWaalsContact C-N 3.3Å; Q278-K280 PolarHBondContact O-N 3.12Å; K280-I283 PolarHBondContact O-N 2.95Å; K280-R284 WeakPolarHBondContact O-CB 3.46Å; K280-R284 PolarHBondContact O-N 2.95Å
281L98.6Very high98.5Very high88 Ų8854.4 Ų54.446%0.46128%0.278SS..Hα-helixtrans-63.1-45.9175.6-71.4174.8000111.5S277 Q278 V279 I283 R284 Q285S277-L281 PolarHBondContact O-N 3.43Å; Q278-L281 WeakPolarHBondContact O-CB 3.36Å; Q278-L281 PolarHBondContact O-N 3.03Å; Q278-L281 VanDerWaalsContact O-N 3.12Å; V279-L281 VanDerWaalsContact C-N 3.33Å; V279-L281 PolarHBondContact O-N 2.93Å; L281-I283 VanDerWaalsContact C-N 3.34Å; L281-I283 PolarHBondContact O-N 3.47Å; L281-R284 PolarHBondContact O-N 3.4Å; L281-Q285 WeakPolarHBondContact O-CB 3.4Å; L281-Q285 VanDerWaalsContact O-CG 3.28Å; L281-Q285 WeakPolarHBondContact O-CG 3.36Å; L281-Q285 PolarHBondContact O-N 3.34Å
282L98.5Very high98.4Very high13 Ų1353.5 Ų53.57%0.06827%0.271CS..Hα-helixtrans-59.1-43.9175.9-67.1177.2000111.8L112 Q115 F116 I120 Q278 V279 Q285 T286L112-L282 HydrophobicContact CD2-CB 3.73Å; Q115-L282 HydrophobicContact CG-CD1 4.28Å; Q115-L282 HydrophobicContact CG-CD2 3.92Å; F116-L282 HydrophobicContact CB-CD1 3.91Å; F116-L282 HydrophobicContact CD2-CD1 4.28Å; I120-L282 HydrophobicContact CD1-CD1 4.14Å; I120-L282 HydrophobicContact CD1-CG 4.43Å; Q278-L282 PolarHBondContact O-N 3.21Å; V279-L282 PolarHBondContact O-N 3.28Å; L282-Q285 PolarHBondContact O-N 3.15Å; L282-T286 WeakPolarHBondContact O-CB 2.92Å; L282-T286 PolarHBondContact O-N 3.22Å; L282-T286 PolarHBondContact O-OG1 3.49Å
283I98.7Very high98.4Very high0 Ų056.7 Ų56.70%029%0.286CS..Hα-helixtrans-60.2-51175.2-71.1165.3000110.8V71 C101 L112 V279 K280 L281 Q285 T286 W287 S288V71-I283 HydrophobicContact CG1-CB 3.93Å; V71-I283 HydrophobicContact CG1-CG2 3.74Å; V71-I283 WeakPolarHBondContact O-CG2 3.26Å; C101-I283 HydrophobicContact CB-CD1 3.79Å; L112-I283 HydrophobicContact CD1-CD1 4.1Å; L112-I283 HydrophobicContact CD1-CG1 3.56Å; L112-I283 HydrophobicContact CD2-CG1 4.27Å; V279-I283 HydrophobicContact CG1-CD1 3.85Å; V279-I283 HydrophobicContact CG1-CG1 4.43Å; V279-I283 WeakPolarHBondContact O-CG1 3.36Å; V279-I283 PolarHBondContact O-N 3.02Å; K280-I283 PolarHBondContact O-N 2.95Å; L281-I283 VanDerWaalsContact C-N 3.34Å; L281-I283 PolarHBondContact O-N 3.47Å; I283-Q285 PolarHBondContact O-N 3.15Å; I283-T286 PolarHBondContact O-N 2.97Å; I283-T286 VanDerWaalsContact O-N 3.07Å; I283-W287 HydrophobicContact CG1-CZ2 4.12Å; I283-W287 PolarHBondContact O-N 2.93Å; I283-S288 PolarHBondContact O-N 2.84Å; I283-S288 VanDerWaalsContact O-N 3.1Å
284R98.5Very high98.4Very high152 Ų15253.1 Ų53.157%0.57426%0.26SS*.Hα-helixtrans-57.1-39.5-178.3177.457175.81700.9111.6V71 K280 L281 S288V71-R284 HydrophobicContact CG1-CB 4.14Å; K280-R284 WeakPolarHBondContact O-CB 3.46Å; K280-R284 PolarHBondContact O-N 2.95Å; L281-R284 PolarHBondContact O-N 3.4Å; R284-S288 PolarHBondContact NH1-OG 3.38Å; R284-S288 WeakPolarHBondContact O-CA 3.21Å; R284-S288 PolarHBondContact O-N 3.47Å
285Q98Very high98.4Very high150 Ų15047.7 Ų47.770%0.70124%0.235SC*.Hα-helixtrans-79.3-19.3-179.3-69.5171.3-16.600113.9L281 L282 I283L281-Q285 WeakPolarHBondContact O-CB 3.4Å; L281-Q285 VanDerWaalsContact O-CG 3.28Å; L281-Q285 WeakPolarHBondContact O-CG 3.36Å; L281-Q285 PolarHBondContact O-N 3.34Å; L282-Q285 PolarHBondContact O-N 3.15Å; I283-Q285 PolarHBondContact O-N 3.15Å
286T97.7Very high98.4Very high62 Ų6249.2 Ų49.238%0.3824%0.24SC..Hα-helixtrans-99-46.1-177.3-48.40000112.2Y111 L282 I283Y111-T286 HydrophobicContact CE1-CG2 3.69Å; L282-T286 WeakPolarHBondContact O-CB 2.92Å; L282-T286 PolarHBondContact O-N 3.22Å; L282-T286 PolarHBondContact O-OG1 3.49Å; I283-T286 PolarHBondContact O-N 2.97Å; I283-T286 VanDerWaalsContact O-N 3.07Å
287W98Very high98.4Very high53 Ų5347.4 Ų47.420%0.20123%0.232CC..Hα-helixtrans-146.817.5-177.558.173.6000114L104 Y111 L112 I283 N289L104-W287 HydrophobicContact CD1-CB 4.29Å; L104-W287 HydrophobicContact CD1-CD2 3.64Å; L104-W287 HydrophobicContact CD1-CE3 3.62Å; L104-W287 HydrophobicContact CD1-CG 3.94Å; L104-W287 HydrophobicContact CD1-CZ3 4.17Å; L104-W287 HydrophobicContact CG-CD2 3.92Å; L104-W287 HydrophobicContact CG-CE3 4.16Å; L104-W287 HydrophobicContact CG-CG 4.34Å; L104-W287 HydrophobicContact CG-CH2 4.43Å; L104-W287 HydrophobicContact CG-CZ2 4.19Å; L104-W287 HydrophobicContact CG-CZ3 4.41Å; Y111-W287 HydrophobicContact CD1-CZ3 4.15Å; L112-W287 HydrophobicContact CD1-CH2 3.58Å; L112-W287 HydrophobicContact CD1-CZ2 3.61Å; L112-W287 HydrophobicContact CD2-CH2 4.07Å; L112-W287 HydrophobicContact CG-CH2 3.65Å; L112-W287 HydrophobicContact CG-CZ2 4.2Å; I283-W287 HydrophobicContact CG1-CZ2 4.12Å; I283-W287 PolarHBondContact O-N 2.93Å; W287-N289 VanDerWaalsContact C-N 3.29Å; W287-N289 PolarHBondContact O-N 3.42Å
288S98.5Very high98.4Very high31 Ų3144.7 Ų44.722%0.21721%0.213CC..SBendtrans66.1-71.4-179.5178.10000115.3I283 R284I283-S288 PolarHBondContact O-N 2.84Å; I283-S288 VanDerWaalsContact O-N 3.1Å; R284-S288 PolarHBondContact NH1-OG 3.38Å; R284-S288 WeakPolarHBondContact O-CA 3.21Å; R284-S288 PolarHBondContact O-N 3.47Å
289N98.3Very high98.4Very high33 Ų3341.6 Ų41.618%0.17620%0.199CC..SBendtrans-150.8153.4179.452.371.6000109.3Y68 L69 W287Y68-N289 WeakPolarHBondContact CD1-ND2 3.19Å; Y68-N289 WeakPolarHBondContact CD1-OD1 3.07Å; L69-N289 WeakPolarHBondContact O-CB 3.33Å; W287-N289 VanDerWaalsContact C-N 3.29Å; W287-N289 PolarHBondContact O-N 3.42Å
290P98.3Very high98.4Very high3 Ų344.4 Ų44.42%0.01922%0.217CC..  trans-82.5163.6-171.534.8-37000112.6Q102Q102-P290 HydrophobicContact CB-CB 4.35Å; Q102-P290 HydrophobicContact CB-CG 3.9Å; Q102-P290 HydrophobicContact CG-CB 3.76Å; Q102-P290 HydrophobicContact CG-CG 3.73Å
291P98.3Very high98.4Very high48 Ų4840.3 Ų40.331%0.31220%0.199SC..  trans-68.2146.7-17928-35.6000112.2Q102 L104Q102-P291 PolarHBondContact NE2-O 3.23Å; L104-P291 HydrophobicContact CD2-CG 3.89Å
292Q97.2Very high98.4Very high28 Ų2837.1 Ų37.113%0.13118%0.182CC..SBendtrans-93.2-38.1-169.7-176.1-176.250.500114.3D65 L69 I74 A295 R296D65-Q292 PolarHBondContact O-OE1 3.23Å; L69-Q292 HydrophobicContact CD1-CB 3.9Å; L69-Q292 HydrophobicContact CD1-CG 4.17Å; L69-Q292 HydrophobicContact CD2-CG 4.06Å; L69-Q292 HydrophobicContact CG-CB 4.13Å; L69-Q292 HydrophobicContact CG-CG 4.2Å; I74-Q292 HydrophobicContact CD1-CG 4.46Å; Q292-A295 PolarHBondContact O-N 3.22Å; Q292-R296 HydrophobicContact CG-CG 4.1Å; Q292-R296 PolarHBondContact O-N 3.27Å; Q292-R296 VanDerWaalsContact OE1-NH1 3.13Å
293H98.3Very high98.4Very high72 Ų7241 Ų4133%0.33320%0.203SC..Hα-helixtrans-60.2-64-165.2-170.880.9000112.9E55 E257 A295 R296 I297E55-H293 IonicContact OE1-NE2 3.9Å; E257-H293 IonicContact OE2-CD2 2.82Å; H293-A295 PolarHBondContact O-N 3.04Å; H293-R296 PolarHBondContact O-N 3.06Å; H293-R296 VanDerWaalsContact O-N 3.14Å; H293-I297 PolarHBondContact O-N 3.17Å
294G98.5Very high98.4Very high0 Ų044.3 Ų44.30%022%0.221CC..Hα-helixtrans-61.3-30177.200000114.1V259 I297 V298V259-G294 VanDerWaalsContact CG2-CA 3.45Å; G294-I297 WeakPolarHBondContact O-CB 3.43Å; G294-I297 PolarHBondContact O-N 3.42Å; G294-V298 WeakPolarHBondContact O-CG2 3.37Å; G294-V298 PolarHBondContact O-N 3.16Å
295A98.6Very high98.3Very high1 Ų143 Ų431%0.00822%0.224CC..Hα-helixtrans-68.6-35.7176.900000112.5I74 M77 V259 Q292 H293 A299I74-A295 HydrophobicContact CD1-CB 3.76Å; I74-A295 HydrophobicContact CG1-CB 4.32Å; M77-A295 HydrophobicContact CE-CB 4.3Å; M77-A295 HydrophobicContact CG-CB 4.41Å; M77-A295 WeakPolarHBondContact CG-O 3.24Å; V259-A295 HydrophobicContact CG1-CB 4.31Å; Q292-A295 PolarHBondContact O-N 3.22Å; H293-A295 PolarHBondContact O-N 3.04Å; A295-A299 VanDerWaalsContact O-CB 3.26Å; A295-A299 WeakPolarHBondContact O-CB 3.47Å; A295-A299 PolarHBondContact O-N 2.91Å
296R98.2Very high98.4Very high46 Ų4639.7 Ų39.717%0.17422%0.217CC..Hα-helixtrans-64.8-41170.9-76.6-179.6166.5158.8-7.7111.2M58 D65 I74 Q292 H293 V298 A299 T300M58-R296 HydrophobicContact CE-CB 3.77Å; M58-R296 HydrophobicContact SD-CB 3.98Å; D65-R296 PolarHBondContact O-NH1 2.91Å; D65-R296 IonicContact OD1-NH2 3.47Å; I74-R296 HydrophobicContact CD1-CB 4.46Å; I74-R296 HydrophobicContact CD1-CG 3.6Å; Q292-R296 HydrophobicContact CG-CG 4.1Å; Q292-R296 PolarHBondContact O-N 3.27Å; Q292-R296 VanDerWaalsContact OE1-NH1 3.13Å; H293-R296 PolarHBondContact O-N 3.06Å; H293-R296 VanDerWaalsContact O-N 3.14Å; R296-V298 PolarHBondContact O-N 3.14Å; R296-A299 PolarHBondContact O-N 2.66Å; R296-T300 WeakPolarHBondContact O-CB 3.32Å; R296-T300 PolarHBondContact O-N 2.86Å; R296-T300 PolarHBondContact O-OG1 2.99Å
297I98.8Very high98.4Very high0 Ų037.6 Ų37.60%020%0.203CC..Hα-helixtrans-57.3-52.8175.5-63.8171.3000110.5V51 V54 E55 M58 L254 H293 G294 A299 T300 I301V51-I297 HydrophobicContact CB-CG2 4.47Å; V51-I297 HydrophobicContact CG1-CD1 4.33Å; V51-I297 HydrophobicContact CG1-CG2 4.16Å; V51-I297 HydrophobicContact CG2-CG2 4.11Å; V54-I297 HydrophobicContact CG1-CB 4.38Å; V54-I297 HydrophobicContact CG1-CG1 4.26Å; V54-I297 HydrophobicContact CG1-CG2 4.38Å; E55-I297 HydrophobicContact CG-CD1 3.65Å; E55-I297 HydrophobicContact CG-CG1 4.39Å; M58-I297 HydrophobicContact CE-CG1 4.31Å; M58-I297 HydrophobicContact SD-CG1 3.64Å; L254-I297 HydrophobicContact CD1-CB 4.37Å; L254-I297 HydrophobicContact CD1-CG2 4.13Å; L254-I297 HydrophobicContact CD2-CD1 4.25Å; H293-I297 PolarHBondContact O-N 3.17Å; G294-I297 WeakPolarHBondContact O-CB 3.43Å; G294-I297 PolarHBondContact O-N 3.42Å; I297-A299 PolarHBondContact O-N 3.29Å; I297-T300 PolarHBondContact O-N 3.37Å; I297-I301 HydrophobicContact CG2-CD1 3.8Å; I297-I301 WeakPolarHBondContact O-CG1 3.4Å; I297-I301 PolarHBondContact O-N 2.8Å
298V98.8Very high98.4Very high0 Ų037.1 Ų37.10%020%0.203CC..Hα-helixtrans-61.9-43.9178.7174.90000111.1M77 F248 F252 L254 V259 G294 R296 T300 I301 L302M77-V298 HydrophobicContact CG-CB 4.15Å; M77-V298 HydrophobicContact CG-CG1 3.99Å; M77-V298 HydrophobicContact SD-CG1 4.31Å; F248-V298 HydrophobicContact CB-CG2 4.1Å; F248-V298 HydrophobicContact CD1-CG1 4.18Å; F248-V298 HydrophobicContact CD1-CG2 4.42Å; F248-V298 HydrophobicContact CD2-CG1 4.24Å; F248-V298 HydrophobicContact CD2-CG2 4.42Å; F248-V298 HydrophobicContact CE1-CG1 4.05Å; F248-V298 HydrophobicContact CE2-CG1 4.11Å; F248-V298 HydrophobicContact CG-CG1 4.26Å; F248-V298 HydrophobicContact CG-CG2 4.06Å; F248-V298 HydrophobicContact CZ-CG1 4.01Å; F252-V298 HydrophobicContact CD1-CG2 3.97Å; F252-V298 HydrophobicContact CD2-CG2 4.44Å; F252-V298 HydrophobicContact CE1-CB 4.48Å; F252-V298 HydrophobicContact CE1-CG2 4.1Å; F252-V298 HydrophobicContact CG-CG2 4.14Å; F252-V298 HydrophobicContact CZ-CG1 4.28Å; F252-V298 HydrophobicContact CZ-CG2 4.4Å; L254-V298 HydrophobicContact CD1-CG2 3.71Å; V259-V298 HydrophobicContact CG1-CB 4.41Å; V259-V298 HydrophobicContact CG1-CG2 3.94Å; G294-V298 WeakPolarHBondContact O-CG2 3.37Å; G294-V298 PolarHBondContact O-N 3.16Å; R296-V298 PolarHBondContact O-N 3.14Å; V298-T300 PolarHBondContact O-N 2.71Å; V298-I301 PolarHBondContact O-N 2.67Å; V298-L302 HydrophobicContact CG1-CD1 3.56Å; V298-L302 HydrophobicContact CG1-CG 4Å; V298-L302 WeakPolarHBondContact O-CB 3.44Å; V298-L302 WeakPolarHBondContact O-CG 3.49Å; V298-L302 PolarHBondContact O-N 3.25Å
299A98.6Very high98.4Very high7 Ų739 Ų396%0.05821%0.211CC..Hα-helixtrans-58.3-49.2178.100000111.9I74 M77 A295 R296 I297 N303I74-A299 HydrophobicContact CG2-CB 4.48Å; M77-A299 HydrophobicContact CB-CB 3.85Å; M77-A299 HydrophobicContact CG-CB 4.31Å; A295-A299 VanDerWaalsContact O-CB 3.26Å; A295-A299 WeakPolarHBondContact O-CB 3.47Å; A295-A299 PolarHBondContact O-N 2.91Å; R296-A299 PolarHBondContact O-N 2.66Å; I297-A299 PolarHBondContact O-N 3.29Å; A299-N303 VanDerWaalsContact O-CB 3.31Å; A299-N303 WeakPolarHBondContact O-CB 3.4Å; A299-N303 PolarHBondContact O-N 3.29Å; A299-N303 VanDerWaalsContact O-N 3.1Å; A299-N303 PolarHBondContact O-ND2 3.2Å
300T98.6Very high98.4Very high60 Ų6040.8 Ų40.837%0.36822%0.218SC..Hα-helixtrans-63.3-44.7-178.1-61.40000111.3V54 R296 I297 V298 N304 L307V54-T300 HydrophobicContact CG1-CG2 3.9Å; V54-T300 HydrophobicContact CG2-CG2 3.98Å; R296-T300 WeakPolarHBondContact O-CB 3.32Å; R296-T300 PolarHBondContact O-N 2.86Å; R296-T300 PolarHBondContact O-OG1 2.99Å; I297-T300 PolarHBondContact O-N 3.37Å; V298-T300 PolarHBondContact O-N 2.71Å; T300-N304 VanDerWaalsContact O-CB 3.31Å; T300-N304 WeakPolarHBondContact O-CB 3.5Å; T300-N304 PolarHBondContact O-N 3.01Å; T300-L307 HydrophobicContact CG2-CD1 3.91Å
301I98.8Very high98.4Very high0 Ų040.6 Ų40.60%022%0.217CC..Hα-helixtrans-67.7-49.8-178.9-66.8174.1000110.9V50 V51 V54 F252 I297 V298 N303 N304 L307 F308 W311V50-I301 HydrophobicContact CB-CD1 4.45Å; V50-I301 HydrophobicContact CG1-CD1 4.03Å; V50-I301 HydrophobicContact CG2-CD1 3.85Å; V50-I301 HydrophobicContact CG2-CG1 3.96Å; V50-I301 HydrophobicContact CG2-CG2 4.29Å; V51-I301 HydrophobicContact CG2-CD1 4.14Å; V54-I301 HydrophobicContact CG2-CD1 4.15Å; V54-I301 HydrophobicContact CG2-CG1 3.68Å; F252-I301 HydrophobicContact CD1-CD1 4.07Å; F252-I301 HydrophobicContact CE1-CB 3.8Å; F252-I301 HydrophobicContact CE1-CD1 3.64Å; F252-I301 HydrophobicContact CE1-CG1 4.26Å; F252-I301 HydrophobicContact CE1-CG2 3.72Å; F252-I301 HydrophobicContact CZ-CB 4.29Å; F252-I301 HydrophobicContact CZ-CG2 3.95Å; I297-I301 HydrophobicContact CG2-CD1 3.8Å; I297-I301 WeakPolarHBondContact O-CG1 3.4Å; I297-I301 PolarHBondContact O-N 2.8Å; V298-I301 PolarHBondContact O-N 2.67Å; I301-N303 VanDerWaalsContact C-N 3.29Å; I301-N303 PolarHBondContact O-N 2.94Å; I301-N304 PolarHBondContact O-N 3.13Å; I301-N304 VanDerWaalsContact O-O 3.14Å; I301-L307 HydrophobicContact CB-CB 4.45Å; I301-L307 HydrophobicContact CG1-CB 4.41Å; I301-L307 HydrophobicContact CG2-CB 4.33Å; I301-F308 PolarHBondContact O-N 3.42Å; I301-W311 HydrophobicContact CG2-CB 3.65Å; I301-W311 HydrophobicContact CG2-CG 4.08Å
302L98.6Very high98.4Very high21 Ų2141.7 Ų41.711%0.1122%0.216CC..Hα-helixtrans-69.8-25.5-175.3-65-175.6000113.2A80 L84 F248 F252 V298 F308 W311A80-L302 HydrophobicContact CB-CB 3.68Å; A80-L302 HydrophobicContact CB-CD1 4.15Å; L84-L302 HydrophobicContact CD2-CD1 4.4Å; L84-L302 HydrophobicContact CD2-CD2 4.3Å; F248-L302 HydrophobicContact CE1-CD1 4.29Å; F248-L302 HydrophobicContact CZ-CD1 4.34Å; F252-L302 HydrophobicContact CE2-CD2 4.14Å; F252-L302 HydrophobicContact CZ-CD2 3.73Å; F252-L302 HydrophobicContact CZ-CG 3.97Å; V298-L302 HydrophobicContact CG1-CD1 3.56Å; V298-L302 HydrophobicContact CG1-CG 4Å; V298-L302 WeakPolarHBondContact O-CB 3.44Å; V298-L302 WeakPolarHBondContact O-CG 3.49Å; V298-L302 PolarHBondContact O-N 3.25Å; L302-F308 HydrophobicContact CD2-CD2 3.69Å; L302-F308 HydrophobicContact CD2-CE2 3.7Å; L302-W311 HydrophobicContact CD2-CE3 4.34Å; L302-W311 HydrophobicContact CD2-CZ3 4.2Å
303N98.4Very high98.4Very high94 Ų9444.3 Ų44.350%0.50324%0.235SC..THydrogen-bonded Turntrans-94.61.3179.2-68.9-78.2000113.8T76 A299 I301T76-N303 PolarHBondContact O-ND2 3.29Å; T76-N303 VanDerWaalsContact O-ND2 3.12Å; A299-N303 VanDerWaalsContact O-CB 3.31Å; A299-N303 WeakPolarHBondContact O-CB 3.4Å; A299-N303 PolarHBondContact O-N 3.29Å; A299-N303 VanDerWaalsContact O-N 3.1Å; A299-N303 PolarHBondContact O-ND2 3.2Å; I301-N303 VanDerWaalsContact C-N 3.29Å; I301-N303 PolarHBondContact O-N 2.94Å
304N98.5Very high98.4Very high69 Ų6941.3 Ų41.337%0.36922%0.222SC..  trans-116.5116.7175.4-178.7-57.8000109.7T300 I301 S306 L307 F308T300-N304 VanDerWaalsContact O-CB 3.31Å; T300-N304 WeakPolarHBondContact O-CB 3.5Å; T300-N304 PolarHBondContact O-N 3.01Å; I301-N304 PolarHBondContact O-N 3.13Å; I301-N304 VanDerWaalsContact O-O 3.14Å; N304-S306 VanDerWaalsContact C-N 3.26Å; N304-S306 PolarHBondContact O-N 2.93Å; N304-S306 WeakPolarHBondContact OD1-CB 3.3Å; N304-S306 PolarHBondContact OD1-N 3.4Å; N304-L307 HydrophobicContact CB-CB 4.09Å; N304-L307 HydrophobicContact CB-CD1 3.9Å; N304-L307 HydrophobicContact CB-CG 4.05Å; N304-L307 PolarHBondContact O-N 2.98Å; N304-L307 PolarHBondContact OD1-N 3.39Å; N304-L307 VanDerWaalsContact OD1-N 3.13Å; N304-F308 VanDerWaalsContact O-CB 3.26Å; N304-F308 WeakPolarHBondContact O-CB 3.09Å; N304-F308 PolarHBondContact O-N 2.97Å
305I97.9Very high98.4Very high126 Ų12641.4 Ų41.465%0.64622%0.222SC*.Hα-helixtrans-58.3-35.4-173.9-168.362000113.6N309I305-N309 WeakPolarHBondContact O-CB 3.21Å; I305-N309 PolarHBondContact O-N 2.96Å; I305-N309 VanDerWaalsContact O-N 3.1Å; I305-N309 PolarHBondContact O-ND2 3.14Å; I305-N309 VanDerWaalsContact O-ND2 3.09Å
306S98.5Very high98.3Very high79 Ų7945 Ų4555%0.55224%0.241SC*.Hα-helixtrans-70.1-51.6179.3-170.50000110.7N304 F308 N309 E310N304-S306 VanDerWaalsContact C-N 3.26Å; N304-S306 PolarHBondContact O-N 2.93Å; N304-S306 WeakPolarHBondContact OD1-CB 3.3Å; N304-S306 PolarHBondContact OD1-N 3.4Å; S306-F308 VanDerWaalsContact C-N 3.31Å; S306-F308 PolarHBondContact O-N 3.4Å; S306-N309 PolarHBondContact O-N 3.29Å; S306-N309 VanDerWaalsContact O-N 3.17Å; S306-E310 PolarHBondContact O-N 2.95Å
307L98.7Very high98.2Very high18 Ų1846 Ų469%0.09425%0.252CS..Hα-helixtrans-63.2-38.2178-60.5178.1000111.6V50 T53 V54 T300 I301 N304 N309 E310 W311V50-L307 HydrophobicContact CG2-CB 4.01Å; V50-L307 HydrophobicContact CG2-CD2 4.04Å; T53-L307 HydrophobicContact CG2-CD2 4.48Å; V54-L307 HydrophobicContact CG2-CD1 3.79Å; T300-L307 HydrophobicContact CG2-CD1 3.91Å; I301-L307 HydrophobicContact CB-CB 4.45Å; I301-L307 HydrophobicContact CG1-CB 4.41Å; I301-L307 HydrophobicContact CG2-CB 4.33Å; N304-L307 HydrophobicContact CB-CB 4.09Å; N304-L307 HydrophobicContact CB-CD1 3.9Å; N304-L307 HydrophobicContact CB-CG 4.05Å; N304-L307 PolarHBondContact O-N 2.98Å; N304-L307 PolarHBondContact OD1-N 3.39Å; N304-L307 VanDerWaalsContact OD1-N 3.13Å; L307-N309 VanDerWaalsContact C-N 3.33Å; L307-N309 PolarHBondContact O-N 3.4Å; L307-E310 PolarHBondContact O-N 3.19Å; L307-W311 WeakPolarHBondContact O-CB 3.46Å; L307-W311 PolarHBondContact O-N 3.39Å
308F98.4Very high98.1Very high44 Ų4446 Ų4619%0.19325%0.252CS..Hα-helixtrans-60.9-42.2175.3-177.6-116.4000111.9L84 L225 I301 L302 N304 S306 W311 K312L84-F308 HydrophobicContact CD1-CE2 4.23Å; L84-F308 HydrophobicContact CD1-CZ 4.29Å; L225-F308 HydrophobicContact CD1-CZ 4.31Å; I301-F308 PolarHBondContact O-N 3.42Å; L302-F308 HydrophobicContact CD2-CD2 3.69Å; L302-F308 HydrophobicContact CD2-CE2 3.7Å; N304-F308 VanDerWaalsContact O-CB 3.26Å; N304-F308 WeakPolarHBondContact O-CB 3.09Å; N304-F308 PolarHBondContact O-N 2.97Å; S306-F308 VanDerWaalsContact C-N 3.31Å; S306-F308 PolarHBondContact O-N 3.4Å; F308-W311 AromaticContact CD2-CE3 3.69Å; F308-W311 HydrophobicContact CD2-CE3 3.69Å; F308-W311 AromaticContact CD2-CZ3 3.97Å; F308-W311 HydrophobicContact CD2-CZ3 3.97Å; F308-W311 AromaticContact CE2-CE3 3.62Å; F308-W311 HydrophobicContact CE2-CE3 3.62Å; F308-W311 AromaticContact CE2-CZ3 3.38Å; F308-W311 HydrophobicContact CE2-CZ3 3.38Å; F308-W311 HydrophobicContact CZ-CZ3 4.17Å; F308-W311 PolarHBondContact O-N 2.98Å; F308-K312 HydrophobicContact CD1-CD 4.26Å; F308-K312 HydrophobicContact CE1-CD 3.76Å; F308-K312 HydrophobicContact CE1-CG 4.4Å; F308-K312 HydrophobicContact CZ-CD 4.03Å; F308-K312 HydrophobicContact CZ-CG 4.33Å; F308-K312 WeakPolarHBondContact O-CG 3.25Å; F308-K312 PolarHBondContact O-N 3.18Å
309N98.3Very high98Very high71 Ų7146.1 Ų46.138%0.3825%0.253SS..Hα-helixtrans-66.8-41.3176-73.1-29.2000112.1I305 S306 L307 K312 T313I305-N309 WeakPolarHBondContact O-CB 3.21Å; I305-N309 PolarHBondContact O-N 2.96Å; I305-N309 VanDerWaalsContact O-N 3.1Å; I305-N309 PolarHBondContact O-ND2 3.14Å; I305-N309 VanDerWaalsContact O-ND2 3.09Å; S306-N309 PolarHBondContact O-N 3.29Å; S306-N309 VanDerWaalsContact O-N 3.17Å; L307-N309 VanDerWaalsContact C-N 3.33Å; L307-N309 PolarHBondContact O-N 3.4Å; N309-K312 PolarHBondContact O-N 2.92Å; N309-K312 WeakPolarHBondContact OD1-CE 3.33Å; N309-K312 PolarHBondContact OD1-NZ 3.34Å; N309-T313 PolarHBondContact O-N 3.36Å; N309-T313 VanDerWaalsContact O-N 3.11Å; N309-T313 PolarHBondContact O-OG1 3.14Å
310E98.4Very high97.8Very high69 Ų6950.3 Ų50.332%0.32227%0.271SS..Hα-helixtrans-61.3-43.6174-169.9-173.4152.700111.8V50 S306 L307 K312 T313 C314V50-E310 WeakPolarHBondContact CA-OE1 3.47Å; V50-E310 HydrophobicContact CB-CB 4.36Å; V50-E310 HydrophobicContact CB-CG 4.05Å; V50-E310 HydrophobicContact CG2-CB 4.26Å; V50-E310 HydrophobicContact CG2-CG 4.43Å; V50-E310 PolarHBondContact N-OE1 2.77Å; S306-E310 PolarHBondContact O-N 2.95Å; L307-E310 PolarHBondContact O-N 3.19Å; E310-K312 PolarHBondContact O-N 3.01Å; E310-T313 WeakPolarHBondContact O-CB 3.45Å; E310-T313 PolarHBondContact O-N 3.46Å; E310-C314 PolarHBondContact O-N 3.06Å; E310-C314 PolarHBondContact O-SG 3.47Å
311W98.6Very high97.7Very high0 Ų048.3 Ų48.30%026%0.257CS..Hα-helixtrans-61.1-43.5175.3170.570.4000112.4V50 L84 L225 N251 F252 I301 L302 L307 F308 T313 C314 V315V50-W311 HydrophobicContact CG1-CB 3.95Å; L84-W311 HydrophobicContact CD1-CH2 4.26Å; L84-W311 HydrophobicContact CD1-CZ3 4.27Å; L84-W311 HydrophobicContact CD2-CH2 4.01Å; L225-W311 HydrophobicContact CD1-CE3 4.37Å; L225-W311 HydrophobicContact CD1-CH2 3.68Å; L225-W311 HydrophobicContact CD1-CZ3 3.35Å; L225-W311 HydrophobicContact CD2-CH2 3.58Å; L225-W311 HydrophobicContact CD2-CZ2 4.36Å; L225-W311 HydrophobicContact CD2-CZ3 4.18Å; L225-W311 HydrophobicContact CG-CH2 4.28Å; L225-W311 HydrophobicContact CG-CZ3 4.4Å; N251-W311 HydrophobicContact CB-CZ2 4.15Å; N251-W311 PolarHBondContact O-NE1 3.33Å; F252-W311 AromaticContact CD2-CE2 3.67Å; F252-W311 AromaticContact CD2-CZ2 3.82Å; F252-W311 HydrophobicContact CD2-CZ2 3.82Å; F252-W311 AromaticContact CD2-NE1 3.38Å; F252-W311 AromaticContact CE1-CD1 3.96Å; F252-W311 HydrophobicContact CE1-CG 4.32Å; F252-W311 AromaticContact CE2-CD2 3.95Å; F252-W311 HydrophobicContact CE2-CD2 3.95Å; F252-W311 AromaticContact CE2-CE2 3.27Å; F252-W311 HydrophobicContact CE2-CG 4.41Å; F252-W311 HydrophobicContact CE2-CH2 4.13Å; F252-W311 AromaticContact CE2-CZ2 3.38Å; F252-W311 HydrophobicContact CE2-CZ2 3.38Å; F252-W311 AromaticContact CE2-NE1 3.41Å; F252-W311 AromaticContact CG-NE1 3.73Å; F252-W311 AromaticContact CZ-CD1 3.96Å; F252-W311 AromaticContact CZ-CD2 3.92Å; F252-W311 HydrophobicContact CZ-CD2 3.92Å; F252-W311 AromaticContact CZ-CE2 3.71Å; F252-W311 HydrophobicContact CZ-CG 4.08Å; F252-W311 HydrophobicContact CZ-CZ2 4.2Å; F252-W311 AromaticContact CZ-NE1 3.76Å; I301-W311 HydrophobicContact CG2-CB 3.65Å; I301-W311 HydrophobicContact CG2-CG 4.08Å; L302-W311 HydrophobicContact CD2-CE3 4.34Å; L302-W311 HydrophobicContact CD2-CZ3 4.2Å; L307-W311 WeakPolarHBondContact O-CB 3.46Å; L307-W311 PolarHBondContact O-N 3.39Å; F308-W311 AromaticContact CD2-CE3 3.69Å; F308-W311 HydrophobicContact CD2-CE3 3.69Å; F308-W311 AromaticContact CD2-CZ3 3.97Å; F308-W311 HydrophobicContact CD2-CZ3 3.97Å; F308-W311 AromaticContact CE2-CE3 3.62Å; F308-W311 HydrophobicContact CE2-CE3 3.62Å; F308-W311 AromaticContact CE2-CZ3 3.38Å; F308-W311 HydrophobicContact CE2-CZ3 3.38Å; F308-W311 HydrophobicContact CZ-CZ3 4.17Å; F308-W311 PolarHBondContact O-N 2.98Å; W311-T313 VanDerWaalsContact C-N 3.29Å; W311-T313 PolarHBondContact O-N 3.31Å; W311-C314 WeakPolarHBondContact O-CA 3.45Å; W311-C314 VanDerWaalsContact O-CB 3.3Å; W311-C314 WeakPolarHBondContact O-CB 3.18Å; W311-C314 PolarHBondContact O-N 3.39Å; W311-V315 HydrophobicContact CD2-CG2 4.23Å; W311-V315 HydrophobicContact CH2-CG2 4.46Å; W311-V315 HydrophobicContact CZ2-CG2 3.73Å; W311-V315 PolarHBondContact O-N 2.99Å
312K97.9Very high97.6Very high70 Ų7048.5 Ų48.530%0.30426%0.258SS..Hα-helixtrans-56.9-42.9174.2-78.1-174.3-62.5-179.30111.8L225 F308 N309 E310 C314 V315 I316L225-K312 HydrophobicContact CD1-CD 4.03Å; L225-K312 HydrophobicContact CD1-CG 3.71Å; F308-K312 HydrophobicContact CD1-CD 4.26Å; F308-K312 HydrophobicContact CE1-CD 3.76Å; F308-K312 HydrophobicContact CE1-CG 4.4Å; F308-K312 HydrophobicContact CZ-CD 4.03Å; F308-K312 HydrophobicContact CZ-CG 4.33Å; F308-K312 WeakPolarHBondContact O-CG 3.25Å; F308-K312 PolarHBondContact O-N 3.18Å; N309-K312 PolarHBondContact O-N 2.92Å; N309-K312 WeakPolarHBondContact OD1-CE 3.33Å; N309-K312 PolarHBondContact OD1-NZ 3.34Å; E310-K312 PolarHBondContact O-N 3.01Å; K312-C314 VanDerWaalsContact C-N 3.3Å; K312-C314 PolarHBondContact O-N 2.98Å; K312-V315 PolarHBondContact O-N 3.25Å; K312-I316 WeakPolarHBondContact O-CG1 3.43Å; K312-I316 PolarHBondContact O-N 2.85Å
313T97.6Very high97.5Very high84 Ų8453.6 Ų53.652%0.51528%0.276SS..Hα-helixtrans-60.7-39.8174.9-580000111.7N309 E310 W311 I316 T317N309-T313 PolarHBondContact O-N 3.36Å; N309-T313 VanDerWaalsContact O-N 3.11Å; N309-T313 PolarHBondContact O-OG1 3.14Å; E310-T313 WeakPolarHBondContact O-CB 3.45Å; E310-T313 PolarHBondContact O-N 3.46Å; W311-T313 VanDerWaalsContact C-N 3.29Å; W311-T313 PolarHBondContact O-N 3.31Å; T313-I316 PolarHBondContact O-N 2.86Å; T313-T317 WeakPolarHBondContact O-CB 3.47Å; T313-T317 PolarHBondContact O-N 2.94Å; T313-T317 PolarHBondContact O-OG1 3.49Å
314C97.5Very high97.5Very high9 Ų953.7 Ų53.76%0.06127%0.273CS..Hα-helixtrans-62.2-44.4174.6-62.30000111.9W46 L48 E310 W311 K312 T317 M318W46-C314 HydrophobicContact CH2-CB 3.84Å; W46-C314 HydrophobicContact CZ3-CB 4.16Å; L48-C314 HydrophobicContact CD2-CB 3.77Å; L48-C314 HydrophobicContact CG-CB 3.96Å; E310-C314 PolarHBondContact O-N 3.06Å; E310-C314 PolarHBondContact O-SG 3.47Å; W311-C314 WeakPolarHBondContact O-CA 3.45Å; W311-C314 VanDerWaalsContact O-CB 3.3Å; W311-C314 WeakPolarHBondContact O-CB 3.18Å; W311-C314 PolarHBondContact O-N 3.39Å; K312-C314 VanDerWaalsContact C-N 3.3Å; K312-C314 PolarHBondContact O-N 2.98Å; C314-T317 WeakPolarHBondContact O-CB 3.3Å; C314-T317 PolarHBondContact O-N 2.89Å; C314-M318 WeakPolarHBondContact O-CG 3.46Å; C314-M318 PolarHBondContact O-N 3.34Å
315V97.6Very high97.4Very high2 Ų251 Ų511%0.01226%0.259CS..Hα-helixtrans-61.5-46.3177.2172.60000111.4G219 W311 K312 T317 M318 A319G219-V315 WeakPolarHBondContact O-CG1 3.44Å; W311-V315 HydrophobicContact CD2-CG2 4.23Å; W311-V315 HydrophobicContact CH2-CG2 4.46Å; W311-V315 HydrophobicContact CZ2-CG2 3.73Å; W311-V315 PolarHBondContact O-N 2.99Å; K312-V315 PolarHBondContact O-N 3.25Å; V315-T317 VanDerWaalsContact C-N 3.3Å; V315-T317 PolarHBondContact O-N 3.32Å; V315-M318 HydrophobicContact CG2-CE 4.21Å; V315-M318 PolarHBondContact O-N 3.36Å; V315-A319 WeakPolarHBondContact O-CB 3.32Å; V315-A319 PolarHBondContact O-N 3.1Å
316I97Very high97.5Very high76 Ų7645.3 Ų45.339%0.3923%0.229SC..Hα-helixtrans-59-43.7176.4-68.8165000110.7K312 T313 M318 A319 Q320K312-I316 WeakPolarHBondContact O-CG1 3.43Å; K312-I316 PolarHBondContact O-N 2.85Å; T313-I316 PolarHBondContact O-N 2.86Å; I316-M318 PolarHBondContact O-N 3.44Å; I316-A319 PolarHBondContact O-N 3.29Å; I316-Q320 VanDerWaalsContact O-CB 3.31Å; I316-Q320 WeakPolarHBondContact O-CB 3.41Å; I316-Q320 PolarHBondContact O-N 2.78Å
317T96.2Very high97.4Very high66 Ų6645.1 Ų45.141%0.40522%0.219SC..Hα-helixtrans-58.5-47.8177.2-58.40000111.2T313 C314 V315 Q320 R321T313-T317 WeakPolarHBondContact O-CB 3.47Å; T313-T317 PolarHBondContact O-N 2.94Å; T313-T317 PolarHBondContact O-OG1 3.49Å; C314-T317 WeakPolarHBondContact O-CB 3.3Å; C314-T317 PolarHBondContact O-N 2.89Å; V315-T317 VanDerWaalsContact C-N 3.3Å; V315-T317 PolarHBondContact O-N 3.32Å; T317-Q320 PolarHBondContact O-N 3.33Å; T317-R321 PolarHBondContact O-N 3.47Å
318M96.7Very high97.4Very high1 Ų144.9 Ų44.91%0.00522%0.221CC..Hα-helixtrans-62.1-46.3177.6-64.3-171.9-73.700111.8Y38 W46 L48 F220 C314 V315 I316 R321 I322Y38-M318 HydrophobicContact CD1-CG 4.17Å; Y38-M318 HydrophobicContact CD1-SD 3.97Å; Y38-M318 HydrophobicContact CD2-CB 3.9Å; Y38-M318 HydrophobicContact CD2-CG 3.89Å; Y38-M318 HydrophobicContact CD2-SD 4.09Å; Y38-M318 HydrophobicContact CE1-CG 3.88Å; Y38-M318 HydrophobicContact CE1-SD 4.26Å; Y38-M318 HydrophobicContact CE2-CB 3.55Å; Y38-M318 HydrophobicContact CE2-CG 3.59Å; Y38-M318 HydrophobicContact CE2-SD 4.38Å; Y38-M318 HydrophobicContact CG-CG 4.16Å; Y38-M318 HydrophobicContact CG-SD 3.87Å; W46-M318 HydrophobicContact CE3-CG 3.81Å; W46-M318 HydrophobicContact CE3-SD 3.89Å; W46-M318 HydrophobicContact CZ3-CG 3.46Å; W46-M318 VanDerWaalsContact CZ3-CG 3.46Å; W46-M318 HydrophobicContact CZ3-SD 3.86Å; L48-M318 HydrophobicContact CD1-CE 4.41Å; L48-M318 HydrophobicContact CD1-SD 4.28Å; L48-M318 HydrophobicContact CD2-CE 4.21Å; F220-M318 HydrophobicContact CE1-CB 3.9Å; F220-M318 HydrophobicContact CE1-CE 4.39Å; F220-M318 HydrophobicContact CE1-SD 4.26Å; F220-M318 HydrophobicContact CE2-CE 4.38Å; F220-M318 HydrophobicContact CZ-CB 4.39Å; F220-M318 HydrophobicContact CZ-CE 3.72Å; F220-M318 HydrophobicContact CZ-SD 3.92Å; C314-M318 WeakPolarHBondContact O-CG 3.46Å; C314-M318 PolarHBondContact O-N 3.34Å; V315-M318 HydrophobicContact CG2-CE 4.21Å; V315-M318 PolarHBondContact O-N 3.36Å; I316-M318 PolarHBondContact O-N 3.44Å; M318-R321 PolarHBondContact O-N 3.3Å; M318-I322 WeakPolarHBondContact O-CD1 3.38Å; M318-I322 VanDerWaalsContact O-CG1 3.29Å; M318-I322 WeakPolarHBondContact O-CG1 3.44Å; M318-I322 PolarHBondContact O-N 2.96Å; M318-I322 VanDerWaalsContact O-N 3.11Å
319A96.2Very high97.4Very high3 Ų342.8 Ų42.83%0.02521%0.212CC..Hα-helixtrans-64.8-39.6-179.600000112.2V315 I316 I322 R323V315-A319 WeakPolarHBondContact O-CB 3.32Å; V315-A319 PolarHBondContact O-N 3.1Å; I316-A319 PolarHBondContact O-N 3.29Å; A319-I322 PolarHBondContact O-N 2.9Å; A319-R323 WeakPolarHBondContact O-CG 3.43Å; A319-R323 PolarHBondContact O-N 3.23Å; A319-R323 VanDerWaalsContact O-N 3.12Å
320Q96.1Very high97.4Very high94 Ų9441 Ų4144%0.43920%0.2SC..Hα-helixtrans-64.4-48176.2-178.7175.3-18.100111.5I316 T317 I322 R323 E324I316-Q320 VanDerWaalsContact O-CB 3.31Å; I316-Q320 WeakPolarHBondContact O-CB 3.41Å; I316-Q320 PolarHBondContact O-N 2.78Å; T317-Q320 PolarHBondContact O-N 3.33Å; Q320-I322 VanDerWaalsContact C-N 3.27Å; Q320-I322 PolarHBondContact O-N 2.79Å; Q320-R323 WeakPolarHBondContact O-CA 3.31Å; Q320-R323 WeakPolarHBondContact O-CB 3.31Å; Q320-R323 PolarHBondContact O-N 3.01Å; Q320-E324 HydrophobicContact CG-CG 4.46Å; Q320-E324 WeakPolarHBondContact CG-OE1 3.33Å; Q320-E324 PolarHBondContact NE2-OE1 2.93Å; Q320-E324 WeakPolarHBondContact O-CG 3.34Å; Q320-E324 PolarHBondContact O-N 3.25Å
321R96.2Very high97.4Very high19 Ų1942 Ų427%0.07220%0.204CC..Hα-helixtrans-58.4-39.6177.7-165.4-14289107.66.8112.4Y38 T40 T317 M318 E324 M325 M381 C382 L384Y38-R321 WeakPolarHBondContact OH-CD 3.28Å; T40-R321 PolarHBondContact O-NH1 3.38Å; T317-R321 PolarHBondContact O-N 3.47Å; M318-R321 PolarHBondContact O-N 3.3Å; R321-E324 PolarHBondContact O-N 3.07Å; R321-M325 WeakPolarHBondContact O-CG 3.48Å; R321-M325 PolarHBondContact O-N 2.76Å; R321-M381 PolarHBondContact NH2-O 3.18Å; R321-C382 VanDerWaalsContact NH2-CA 3.28Å; R321-C382 PolarHBondContact NH2-O 3.48Å; R321-L384 PolarHBondContact NH1-O 3.03Å; R321-L384 PolarHBondContact NH2-O 3.18Å
322I96.7Very high97.4Very high3 Ų345.1 Ų45.12%0.01522%0.219CC..Hα-helixtrans-62.7-43.6175.8-70.3164000110.9F220 M318 A319 Q320 M325 R326 G350 M351 M381 C382F220-I322 HydrophobicContact CD1-CD1 3.58Å; F220-I322 HydrophobicContact CE1-CD1 3.91Å; M318-I322 WeakPolarHBondContact O-CD1 3.38Å; M318-I322 VanDerWaalsContact O-CG1 3.29Å; M318-I322 WeakPolarHBondContact O-CG1 3.44Å; M318-I322 PolarHBondContact O-N 2.96Å; M318-I322 VanDerWaalsContact O-N 3.11Å; A319-I322 PolarHBondContact O-N 2.9Å; Q320-I322 VanDerWaalsContact C-N 3.27Å; Q320-I322 PolarHBondContact O-N 2.79Å; I322-M325 PolarHBondContact O-N 3.47Å; I322-R326 WeakPolarHBondContact O-CG 3.44Å; I322-R326 PolarHBondContact O-N 3.5Å; I322-G350 VanDerWaalsContact CG2-O 3.28Å; I322-G350 WeakPolarHBondContact CG2-O 3.26Å; I322-M351 HydrophobicContact CD1-CG 4.28Å; I322-M381 HydrophobicContact CG2-CB 4.04Å; I322-C382 WeakPolarHBondContact CD1-SG 3.38Å; I322-C382 VanDerWaalsContact CG1-SG 3.59Å
323R96.7Very high97.5Very high129 Ų12941.8 Ų41.849%0.48721%0.205SC..Hα-helixtrans-62.6-41.9175.7-73.9-176.4-73.4-177.6-1.9111.9A319 Q320 M325 R326 Q327A319-R323 WeakPolarHBondContact O-CG 3.43Å; A319-R323 PolarHBondContact O-N 3.23Å; A319-R323 VanDerWaalsContact O-N 3.12Å; Q320-R323 WeakPolarHBondContact O-CA 3.31Å; Q320-R323 WeakPolarHBondContact O-CB 3.31Å; Q320-R323 PolarHBondContact O-N 3.01Å; R323-M325 PolarHBondContact O-N 3.47Å; R323-R326 WeakPolarHBondContact O-CB 3.4Å; R323-R326 PolarHBondContact O-N 3.45Å; R323-Q327 WeakPolarHBondContact O-CB 3.4Å; R323-Q327 PolarHBondContact O-N 3.02Å
324E97.2Very high97.5Very high96 Ų9645.6 Ų45.645%0.44921%0.21SC..Hα-helixtrans-59.7-44.5175-70.6166.8-175.100111.5Q320 R321 Q327 G328Q320-E324 HydrophobicContact CG-CG 4.46Å; Q320-E324 WeakPolarHBondContact CG-OE1 3.33Å; Q320-E324 PolarHBondContact NE2-OE1 2.93Å; Q320-E324 WeakPolarHBondContact O-CG 3.34Å; Q320-E324 PolarHBondContact O-N 3.25Å; R321-E324 PolarHBondContact O-N 3.07Å; E324-Q327 PolarHBondContact O-N 2.81Å; E324-G328 PolarHBondContact O-N 3.43Å
325M97.9Very high97.5Very high13 Ų1350.3 Ų50.36%0.06424%0.243CC..Hα-helixtrans-68.1-33.9176.6-67.2-58.494.300113.4R321 I322 R323 L329 L384 T386 I389R321-M325 WeakPolarHBondContact O-CG 3.48Å; R321-M325 PolarHBondContact O-N 2.76Å; I322-M325 PolarHBondContact O-N 3.47Å; R323-M325 PolarHBondContact O-N 3.47Å; M325-L329 WeakPolarHBondContact O-CB 3.47Å; M325-L329 PolarHBondContact O-N 3.48Å; M325-L384 HydrophobicContact CB-CB 3.87Å; M325-L384 HydrophobicContact CB-CD2 4.24Å; M325-L384 HydrophobicContact CG-CB 3.87Å; M325-L384 HydrophobicContact SD-CB 3.88Å; M325-T386 HydrophobicContact CE-CG2 4.43Å; M325-I389 HydrophobicContact SD-CD1 4.27Å
326R98.1Very high97.6Very high6 Ų653.2 Ų53.22%0.02326%0.258CS..Hα-helixtrans-62.8-49.7172-74.6173.3-179.7-782.3111.3I322 R323 L329 Y330 I345 I346 Q348 V349 G350 F352 M381I322-R326 WeakPolarHBondContact O-CG 3.44Å; I322-R326 PolarHBondContact O-N 3.5Å; R323-R326 WeakPolarHBondContact O-CB 3.4Å; R323-R326 PolarHBondContact O-N 3.45Å; R326-L329 PolarHBondContact O-N 3.47Å; R326-Y330 WeakPolarHBondContact O-CB 3.2Å; R326-Y330 PolarHBondContact O-N 3.4Å; R326-Y330 VanDerWaalsContact O-N 3.07Å; R326-I345 HydrophobicContact CB-CG2 4.21Å; R326-I345 WeakPolarHBondContact CD-O 3.3Å; R326-I345 HydrophobicContact CG-CG2 4.4Å; R326-I345 WeakPolarHBondContact CG-O 3.39Å; R326-I345 PolarHBondContact NH1-O 3.1Å; R326-I346 HydrophobicContact CB-CG2 4.36Å; R326-Q348 VanDerWaalsContact CZ-O 3.25Å; R326-Q348 PolarHBondContact NE-O 3.47Å; R326-Q348 PolarHBondContact NH1-O 3.23Å; R326-V349 PolarHBondContact NH2-O 2.94Å; R326-V349 VanDerWaalsContact NH2-O 3.1Å; R326-G350 PolarHBondContact NH2-O 2.81Å; R326-F352 PolarHBondContact NH2-O 2.96Å; R326-M381 HydrophobicContact CB-CE 4.24Å; R326-M381 HydrophobicContact CG-CB 4.48Å; R326-M381 HydrophobicContact CG-CE 3.62Å; R326-M381 HydrophobicContact CG-CG 3.99Å; R326-M381 HydrophobicContact CG-SD 4.48Å
327Q98.3Very high97.6Very high74 Ų7452.2 Ų52.235%0.34627%0.266SS..Hα-helixtrans-60.6-48178.7-174.161.336.700110.9R323 E324 L329 Y330 E331R323-Q327 WeakPolarHBondContact O-CB 3.4Å; R323-Q327 PolarHBondContact O-N 3.02Å; E324-Q327 PolarHBondContact O-N 2.81Å; Q327-L329 PolarHBondContact O-N 2.84Å; Q327-Y330 PolarHBondContact O-N 2.89Å; Q327-E331 WeakPolarHBondContact CG-OE1 3.46Å; Q327-E331 PolarHBondContact NE2-OE1 2.82Å; Q327-E331 WeakPolarHBondContact O-CG 3.5Å; Q327-E331 PolarHBondContact O-N 2.93Å
328G98.3Very high97.7Very high13 Ų1349.5 Ų49.513%0.13425%0.25CC..Hα-helixtrans-58.3-45.7178.100000112.4E324 Y330 E331 H332E324-G328 PolarHBondContact O-N 3.43Å; G328-Y330 PolarHBondContact O-N 3.36Å; G328-E331 PolarHBondContact O-N 3.36Å; G328-H332 PolarHBondContact O-N 3Å; G328-H332 PolarHBondContact O-ND1 3.49Å
329L98.6Very high97.7Very high0 Ų052.4 Ų52.40%027%0.269CS..Hα-helixtrans-64.3-44-179.317961.9000110.8M325 R326 Q327 E331 H332 L333 I345 I379 M381 L384 I389 I392 A393 I396M325-L329 WeakPolarHBondContact O-CB 3.47Å; M325-L329 PolarHBondContact O-N 3.48Å; R326-L329 PolarHBondContact O-N 3.47Å; Q327-L329 PolarHBondContact O-N 2.84Å; L329-E331 PolarHBondContact O-N 2.87Å; L329-H332 PolarHBondContact O-N 3.3Å; L329-L333 HydrophobicContact CD1-CD1 4.15Å; L329-L333 HydrophobicContact CD1-CG 4.24Å; L329-L333 HydrophobicContact CG-CD1 3.95Å; L329-L333 HydrophobicContact CG-CG 4.48Å; L329-L333 VanDerWaalsContact O-CG 3.28Å; L329-L333 WeakPolarHBondContact O-CG 3.42Å; L329-L333 PolarHBondContact O-N 3.43Å; L329-I345 HydrophobicContact CB-CG2 4.45Å; L329-I345 HydrophobicContact CD2-CD1 3.83Å; L329-I345 HydrophobicContact CD2-CG2 4.23Å; L329-I345 HydrophobicContact CG-CD1 4.09Å; L329-I379 HydrophobicContact CD2-CD1 3.95Å; L329-M381 HydrophobicContact CB-CE 4.49Å; L329-M381 HydrophobicContact CD2-CE 4.05Å; L329-L384 HydrophobicContact CB-CD2 3.89Å; L329-L384 HydrophobicContact CD2-CD2 4.01Å; L329-L384 HydrophobicContact CG-CD2 4.35Å; L329-I389 HydrophobicContact CB-CD1 4.21Å; L329-I389 HydrophobicContact CB-CG1 4.29Å; L329-I389 HydrophobicContact CD1-CG1 4.49Å; L329-I389 VanDerWaalsContact N-CD1 3.31Å; L329-I392 HydrophobicContact CD1-CG2 4.16Å; L329-A393 HydrophobicContact CD1-CB 4.05Å; L329-I396 HydrophobicContact CD1-CD1 4.28Å
330Y98.4Very high97.5Very high35 Ų3555.7 Ų55.714%0.13730%0.303CS..Hα-helixtrans-59.3-45.3176.5169.6-112.3000112.3R326 Q327 G328 L333 R334 W342 E343 I346R326-Y330 WeakPolarHBondContact O-CB 3.2Å; R326-Y330 PolarHBondContact O-N 3.4Å; R326-Y330 VanDerWaalsContact O-N 3.07Å; Q327-Y330 PolarHBondContact O-N 2.89Å; G328-Y330 PolarHBondContact O-N 3.36Å; Y330-L333 PolarHBondContact O-N 3.35Å; Y330-R334 WeakPolarHBondContact O-CB 3.26Å; Y330-R334 PolarHBondContact O-N 2.93Å; Y330-W342 HydrophobicContact CD2-CB 4.14Å; Y330-E343 HydrophobicContact CE2-CB 4.5Å; Y330-E343 HydrophobicContact CE2-CG 3.88Å; Y330-I346 HydrophobicContact CD1-CD1 3.94Å; Y330-I346 HydrophobicContact CD1-CG2 4.13Å; Y330-I346 HydrophobicContact CE1-CD1 3.95Å; Y330-I346 HydrophobicContact CG-CD1 4.39Å; Y330-I346 HydrophobicContact CG-CG2 4Å
331E98.5Very high97.4Very high88 Ų8855.8 Ų55.841%0.41131%0.306SS..Hα-helixtrans-63.9-41.6179.2-74.5173.9-18000112.6Q327 G328 L329 R334 S335Q327-E331 WeakPolarHBondContact CG-OE1 3.46Å; Q327-E331 PolarHBondContact NE2-OE1 2.82Å; Q327-E331 WeakPolarHBondContact O-CG 3.5Å; Q327-E331 PolarHBondContact O-N 2.93Å; G328-E331 PolarHBondContact O-N 3.36Å; L329-E331 PolarHBondContact O-N 2.87Å; E331-R334 PolarHBondContact O-N 2.88Å; E331-S335 VanDerWaalsContact O-CB 3.31Å; E331-S335 WeakPolarHBondContact O-CB 3.49Å; E331-S335 PolarHBondContact O-N 3.25Å
332H98.6Very high97.4Very high66 Ų6655.6 Ų55.631%0.30631%0.305SS..Hα-helixtrans-64.4-46.2176.1-7474000111.3G328 L329 R334 S335 L336 A393G328-H332 PolarHBondContact O-N 3Å; G328-H332 PolarHBondContact O-ND1 3.49Å; L329-H332 PolarHBondContact O-N 3.3Å; H332-R334 VanDerWaalsContact C-N 3.3Å; H332-R334 PolarHBondContact O-N 3.43Å; H332-S335 PolarHBondContact O-N 2.93Å; H332-L336 WeakPolarHBondContact O-CG 3.04Å; H332-L336 PolarHBondContact O-N 3.45Å; H332-A393 HydrophobicContact CB-CB 3.47Å; H332-A393 VanDerWaalsContact CB-CB 3.47Å
333L98.6Very high97.4Very high0 Ų059.6 Ų59.60%032%0.324CS..Hα-helixtrans-60.8-40.5178.2-70.5170000112.1L329 Y330 G337 T338 W342 I345 A393 I396L329-L333 HydrophobicContact CD1-CD1 4.15Å; L329-L333 HydrophobicContact CD1-CG 4.24Å; L329-L333 HydrophobicContact CG-CD1 3.95Å; L329-L333 HydrophobicContact CG-CG 4.48Å; L329-L333 VanDerWaalsContact O-CG 3.28Å; L329-L333 WeakPolarHBondContact O-CG 3.42Å; L329-L333 PolarHBondContact O-N 3.43Å; Y330-L333 PolarHBondContact O-N 3.35Å; L333-G337 PolarHBondContact O-N 2.78Å; L333-T338 HydrophobicContact CD2-CG2 4.18Å; L333-T338 WeakPolarHBondContact O-CB 3.27Å; L333-T338 PolarHBondContact O-N 3.16Å; L333-T338 PolarHBondContact O-OG1 3.37Å; L333-W342 HydrophobicContact CB-CB 4.47Å; L333-W342 HydrophobicContact CB-CG 4.27Å; L333-W342 HydrophobicContact CD1-CB 4.15Å; L333-W342 HydrophobicContact CD1-CD2 3.79Å; L333-W342 HydrophobicContact CD1-CE3 3.8Å; L333-W342 HydrophobicContact CD1-CG 3.96Å; L333-W342 HydrophobicContact CD1-CZ3 4.48Å; L333-I345 HydrophobicContact CD1-CD1 3.45Å; L333-I345 VanDerWaalsContact CD1-CD1 3.45Å; L333-A393 HydrophobicContact CD2-CB 4.26Å; L333-A393 HydrophobicContact CG-CB 4.43Å; L333-I396 HydrophobicContact CD2-CB 3.84Å; L333-I396 HydrophobicContact CD2-CD1 4.37Å; L333-I396 HydrophobicContact CD2-CG2 3.64Å
334R98.1Very high97.3Very high165 Ų16554.1 Ų54.162%0.62330%0.304SS*.Hα-helixtrans-65.2-45.1174.9-172.9-175.868.8169.4-1.4111.6Y330 E331 H332 L336 G337Y330-R334 WeakPolarHBondContact O-CB 3.26Å; Y330-R334 PolarHBondContact O-N 2.93Å; E331-R334 PolarHBondContact O-N 2.88Å; H332-R334 VanDerWaalsContact C-N 3.3Å; H332-R334 PolarHBondContact O-N 3.43Å; R334-L336 VanDerWaalsContact C-N 3.33Å; R334-L336 PolarHBondContact O-N 2.96Å; R334-G337 PolarHBondContact O-N 3.24Å
335S98.2Very high97.3Very high108 Ų10849.5 Ų49.576%0.75528%0.283SS*.Hα-helixtrans-61.7-40.5179.3-170.50000112.2E331 H332 G337E331-S335 VanDerWaalsContact O-CB 3.31Å; E331-S335 WeakPolarHBondContact O-CB 3.49Å; E331-S335 PolarHBondContact O-N 3.25Å; H332-S335 PolarHBondContact O-N 2.93Å; S335-G337 PolarHBondContact O-N 2.94Å
336L98.5Very high97.3Very high62 Ų6251.6 Ų51.633%0.32529%0.293SS..THydrogen-bonded Turntrans-68.9-10.2174.7-69.9171.2000113.4H332 R334 T338 A393 H397H332-L336 WeakPolarHBondContact O-CG 3.04Å; H332-L336 PolarHBondContact O-N 3.45Å; R334-L336 VanDerWaalsContact C-N 3.33Å; R334-L336 PolarHBondContact O-N 2.96Å; L336-T338 VanDerWaalsContact C-N 3.28Å; L336-T338 PolarHBondContact O-N 3.02Å; L336-A393 HydrophobicContact CD1-CB 4.07Å; L336-H397 HydrophobicContact CB-CB 4.47Å; L336-H397 HydrophobicContact CD1-CB 3.98Å; L336-H397 PolarHBondContact O-CE1 3.21Å; L336-H397 PolarHBondContact O-ND1 2.76Å
337G98.2Very high97.2Very high55 Ų5556.3 Ų56.357%0.56732%0.319SS*.THydrogen-bonded Turntrans65.133.7-173.400000112.5L333 R334 S335L333-G337 PolarHBondContact O-N 2.78Å; R334-G337 PolarHBondContact O-N 3.24Å; S335-G337 PolarHBondContact O-N 2.94Å
338T98.1Very high97.1Very high10 Ų1053 Ų536%0.06130%0.303CS..  trans-59.5127.6-177.9-52.30000110.9L333 L336 W342 I396 H397L333-T338 HydrophobicContact CD2-CG2 4.18Å; L333-T338 WeakPolarHBondContact O-CB 3.27Å; L333-T338 PolarHBondContact O-N 3.16Å; L333-T338 PolarHBondContact O-OG1 3.37Å; L336-T338 VanDerWaalsContact C-N 3.28Å; L336-T338 PolarHBondContact O-N 3.02Å; T338-W342 HydrophobicContact CG2-CZ2 3.9Å; T338-I396 HydrophobicContact CG2-CG2 4.5Å; T338-H397 VanDerWaalsContact CA-ND1 3.34Å; T338-H397 WeakPolarHBondContact CA-ND1 3.42Å; T338-H397 HydrophobicContact CG2-CB 4.25Å; T338-H397 PolarHBondContact OG1-ND1 3.23Å
339P96.4Very high97.1Very high62 Ų6254.3 Ų54.340%0.40331%0.309SS..SBendtrans-56.4144.6-177.9-25.733.8000113.2W342 V400 I401P339-W342 PolarHBondContact O-NE1 2.98Å; P339-V400 HydrophobicContact CB-CG1 3.94Å; P339-V400 HydrophobicContact CG-CG1 4.16Å; P339-I401 HydrophobicContact CG-CG1 4.06Å
340G92.8Very high97Very high72 Ų7254.4 Ų54.474%0.74231%0.31SS*.SBendtrans91.5-175.8178.900000114.8
341N93.3Very high96.9Very high96 Ų9652.8 Ų52.851%0.51330%0.303SS..  trans-102.6124177.3-177.1-26.8000110.7E343 H344N341-E343 VanDerWaalsContact OD1-CB 3.29Å; N341-E343 WeakPolarHBondContact OD1-CB 3.23Å; N341-E343 PolarHBondContact OD1-N 3.48Å; N341-H344 PolarHBondContact O-CE1 3.47Å; N341-H344 PolarHBondContact O-ND1 3.13Å; N341-H344 VanDerWaalsContact O-ND1 3.17Å
342W95.9Very high96.9Very high14 Ų1448.9 Ų48.95%0.05329%0.285CS..  trans-108.96.3-178-62.695.1000115Y330 L333 T338 P339 H344 I345 L357 I396 V400Y330-W342 HydrophobicContact CD2-CB 4.14Å; L333-W342 HydrophobicContact CB-CB 4.47Å; L333-W342 HydrophobicContact CB-CG 4.27Å; L333-W342 HydrophobicContact CD1-CB 4.15Å; L333-W342 HydrophobicContact CD1-CD2 3.79Å; L333-W342 HydrophobicContact CD1-CE3 3.8Å; L333-W342 HydrophobicContact CD1-CG 3.96Å; L333-W342 HydrophobicContact CD1-CZ3 4.48Å; T338-W342 HydrophobicContact CG2-CZ2 3.9Å; P339-W342 PolarHBondContact O-NE1 2.98Å; W342-H344 AromaticContact CE3-CE1 3.54Å; W342-H344 AromaticContact CE3-NE2 3.92Å; W342-H344 PolarHBondContact O-N 3.01Å; W342-H344 VanDerWaalsContact O-N 3.16Å; W342-I345 HydrophobicContact CB-CD1 4.33Å; W342-I345 HydrophobicContact CE3-CD1 3.77Å; W342-I345 WeakPolarHBondContact O-CB 3.32Å; W342-I345 PolarHBondContact O-N 3.37Å; W342-I345 VanDerWaalsContact O-N 3.1Å; W342-L357 HydrophobicContact CH2-CD2 4.39Å; W342-I396 HydrophobicContact CH2-CG2 3.46Å; W342-I396 VanDerWaalsContact CH2-CG2 3.46Å; W342-I396 HydrophobicContact CZ2-CG2 3.79Å; W342-I396 HydrophobicContact CZ3-CG2 4.03Å; W342-V400 HydrophobicContact CH2-CG2 4.17Å; W342-V400 HydrophobicContact CZ2-CG2 3.9Å
343E96.3Very high96.8Very high88 Ų8845.7 Ų45.741%0.41127%0.271SS..THydrogen-bonded Turntrans-60.9-24.6178.7-74.4-178.8160.400113.3Y330 N341 I345 I346 N347Y330-E343 HydrophobicContact CE2-CB 4.5Å; Y330-E343 HydrophobicContact CE2-CG 3.88Å; N341-E343 VanDerWaalsContact OD1-CB 3.29Å; N341-E343 WeakPolarHBondContact OD1-CB 3.23Å; N341-E343 PolarHBondContact OD1-N 3.48Å; E343-I345 PolarHBondContact O-N 3.45Å; E343-I345 VanDerWaalsContact O-N 3.13Å; E343-I346 WeakPolarHBondContact O-CG1 3.21Å; E343-I346 PolarHBondContact O-N 3.04Å; E343-I346 VanDerWaalsContact O-N 3.11Å; E343-N347 PolarHBondContact O-N 3.46Å; E343-N347 PolarHBondContact O-ND2 2.92Å
344H95.7Very high96.7Very high13 Ų1346.7 Ų46.76%0.0627%0.274CS..Hα-helixtrans-56.5-28.4175.263.3-78.4000112.2R158 N341 W342 I346 N347 Q348 Y354R158-H344 HydrophobicContact CB-CB 4.03Å; R158-H344 PolarHBondContact NH1-CE1 3.28Å; R158-H344 PolarHBondContact NH1-NE2 2.99Å; N341-H344 PolarHBondContact O-CE1 3.47Å; N341-H344 PolarHBondContact O-ND1 3.13Å; N341-H344 VanDerWaalsContact O-ND1 3.17Å; W342-H344 AromaticContact CE3-CE1 3.54Å; W342-H344 AromaticContact CE3-NE2 3.92Å; W342-H344 PolarHBondContact O-N 3.01Å; W342-H344 VanDerWaalsContact O-N 3.16Å; H344-I346 VanDerWaalsContact C-N 3.32Å; H344-I346 PolarHBondContact O-N 3.4Å; H344-N347 PolarHBondContact O-N 3.48Å; H344-Q348 VanDerWaalsContact O-CB 3.24Å; H344-Q348 WeakPolarHBondContact O-CB 3.4Å; H344-Q348 WeakPolarHBondContact O-CG 3.19Å; H344-Q348 PolarHBondContact O-N 3Å; H344-Y354 PolarHBondContact CD2-O 3.11Å; H344-Y354 VanDerWaalsContact CD2-O 3.3Å
345I97.1Very high96.5Very high0 Ų038.8 Ų38.80%025%0.245CC..Hα-helixtrans-60.9-40.6177.4-66.7173.7000111.7R326 L329 L333 W342 E343 M381R326-I345 HydrophobicContact CB-CG2 4.21Å; R326-I345 WeakPolarHBondContact CD-O 3.3Å; R326-I345 HydrophobicContact CG-CG2 4.4Å; R326-I345 WeakPolarHBondContact CG-O 3.39Å; R326-I345 PolarHBondContact NH1-O 3.1Å; L329-I345 HydrophobicContact CB-CG2 4.45Å; L329-I345 HydrophobicContact CD2-CD1 3.83Å; L329-I345 HydrophobicContact CD2-CG2 4.23Å; L329-I345 HydrophobicContact CG-CD1 4.09Å; L333-I345 HydrophobicContact CD1-CD1 3.45Å; L333-I345 VanDerWaalsContact CD1-CD1 3.45Å; W342-I345 HydrophobicContact CB-CD1 4.33Å; W342-I345 HydrophobicContact CE3-CD1 3.77Å; W342-I345 WeakPolarHBondContact O-CB 3.32Å; W342-I345 PolarHBondContact O-N 3.37Å; W342-I345 VanDerWaalsContact O-N 3.1Å; E343-I345 PolarHBondContact O-N 3.45Å; E343-I345 VanDerWaalsContact O-N 3.13Å; I345-M381 HydrophobicContact CG2-CE 4.14Å
346I97.2Very high96.3Very high57 Ų5735 Ų3529%0.29222%0.222SC..Hα-helixtrans-88.2-23.3-179.458168.8000112.9R326 Y330 E343 H344R326-I346 HydrophobicContact CB-CG2 4.36Å; Y330-I346 HydrophobicContact CD1-CD1 3.94Å; Y330-I346 HydrophobicContact CD1-CG2 4.13Å; Y330-I346 HydrophobicContact CE1-CD1 3.95Å; Y330-I346 HydrophobicContact CG-CD1 4.39Å; Y330-I346 HydrophobicContact CG-CG2 4Å; E343-I346 WeakPolarHBondContact O-CG1 3.21Å; E343-I346 PolarHBondContact O-N 3.04Å; E343-I346 VanDerWaalsContact O-N 3.11Å; H344-I346 VanDerWaalsContact C-N 3.32Å; H344-I346 PolarHBondContact O-N 3.4Å
347N95.8Very high96.1Very high105 Ų10532.3 Ų32.356%0.56121%0.208SC*.Hα-helixtrans-82.7-24.3176.4-68.7-33.2000113E343 H344E343-N347 PolarHBondContact O-N 3.46Å; E343-N347 PolarHBondContact O-ND2 2.92Å; H344-N347 PolarHBondContact O-N 3.48Å
348Q96.8Very high96Very high3 Ų330.9 Ų30.91%0.01419%0.189CC..  trans-74.5151.2171.3-74.2165.4100111T188 G189 T190 R326 H344 S353 Y354T188-Q348 WeakPolarHBondContact O-CG 3.46Å; T188-Q348 PolarHBondContact O-NE2 2.84Å; T188-Q348 PolarHBondContact O-OE1 3.5Å; G189-Q348 CarbonylContact O-C 3.58Å; G189-Q348 WeakPolarHBondContact O-CA 3.39Å; G189-Q348 WeakPolarHBondContact O-CB 3.41Å; T190-Q348 HydrophobicContact CG2-CG 3.66Å; R326-Q348 VanDerWaalsContact CZ-O 3.25Å; R326-Q348 PolarHBondContact NE-O 3.47Å; R326-Q348 PolarHBondContact NH1-O 3.23Å; H344-Q348 VanDerWaalsContact O-CB 3.24Å; H344-Q348 WeakPolarHBondContact O-CB 3.4Å; H344-Q348 WeakPolarHBondContact O-CG 3.19Å; H344-Q348 PolarHBondContact O-N 3Å; Q348-S353 PolarHBondContact OE1-OG 3.29Å; Q348-Y354 PolarHBondContact NE2-O 3.46Å
349V96.9Very high95.9Very high41 Ų4134.2 Ų34.225%0.24821%0.21CC..  trans-122170.8-174.7-620000111.6G189 D191 A221 R326G189-V349 WeakPolarHBondContact CA-O 3.48Å; G189-V349 WeakPolarHBondContact O-CG2 3.16Å; G189-V349 PolarHBondContact O-N 3.24Å; D191-V349 HydrophobicContact CB-CG2 4.25Å; D191-V349 VanDerWaalsContact OD2-CG2 3.29Å; D191-V349 WeakPolarHBondContact OD2-CG2 3.43Å; A221-V349 HydrophobicContact CB-CB 4.22Å; A221-V349 HydrophobicContact CB-CG2 4.02Å; R326-V349 PolarHBondContact NH2-O 2.94Å; R326-V349 VanDerWaalsContact NH2-O 3.1Å
350G96.7Very high95.9Very high2 Ų235.5 Ų35.52%0.02122%0.217CC..THydrogen-bonded Turntrans74.7-162.3179.400000113.8F220 I322 R326 F352F220-G350 WeakPolarHBondContact O-CA 3.31Å; F220-G350 PolarHBondContact O-N 3.23Å; I322-G350 VanDerWaalsContact CG2-O 3.28Å; I322-G350 WeakPolarHBondContact CG2-O 3.26Å; R326-G350 PolarHBondContact NH2-O 2.81Å; G350-F352 PolarHBondContact O-N 3.21Å
351M97.4Very high96.1Very high1 Ų132.8 Ų32.81%0.00519%0.185CC..THydrogen-bonded Turntrans-78-17.4-172.9-64.7178.770.900114Y217 F220 K250 I322 N380 M381 C382Y217-M351 HydrophobicContact CD1-CG 4.3Å; Y217-M351 HydrophobicContact CD1-SD 4.04Å; Y217-M351 HydrophobicContact CE1-CG 4.23Å; Y217-M351 HydrophobicContact CE1-SD 3.69Å; F220-M351 HydrophobicContact CD1-CG 4.03Å; F220-M351 HydrophobicContact CE1-CG 4.3Å; F220-M351 HydrophobicContact CE1-SD 4.45Å; K250-M351 HydrophobicContact CB-SD 4.26Å; K250-M351 HydrophobicContact CG-SD 3.71Å; I322-M351 HydrophobicContact CD1-CG 4.28Å; M351-N380 CarbonylContact O-C 3.51Å; M351-N380 WeakPolarHBondContact O-CA 3.41Å; M351-N380 PolarHBondContact O-OD1 3.02Å; M351-M381 PolarHBondContact O-N 2.99Å; M351-C382 HydrophobicContact CE-CB 4.32Å; M351-C382 VanDerWaalsContact CE-SG 3.58Å
352F97.7Very high96.3Very high6 Ų628.6 Ų28.63%0.02616%0.163CC..EExtended strand (participates in β ladder)trans-117.8147.1-170.3-53.3-67.3000113.6N186 P187 Y217 R326 G350 R378 I379 N380N186-F352 HydrophobicContact CB-CD2 4.16Å; N186-F352 HydrophobicContact CB-CE2 4.05Å; P187-F352 WeakPolarHBondContact O-CB 3.36Å; Y217-F352 HydrophobicContact CE1-CE2 4.33Å; Y217-F352 AromaticContact CZ-CE2 3.85Å; Y217-F352 VanDerWaalsContact OH-CE2 3.3Å; Y217-F352 WeakPolarHBondContact OH-CE2 3.45Å; R326-F352 PolarHBondContact NH2-O 2.96Å; G350-F352 PolarHBondContact O-N 3.21Å; F352-R378 HydrophobicContact CB-CG 3.84Å; F352-R378 HydrophobicContact CD1-CG 3.95Å; F352-R378 HydrophobicContact CG-CG 4.03Å; F352-I379 CarbonylContact C-O 3.47Å; F352-I379 VanDerWaalsContact CA-O 3.23Å; F352-I379 WeakPolarHBondContact CA-O 3.36Å; F352-N380 HydrophobicContact CD1-CB 4.33Å; F352-N380 HydrophobicContact CE1-CB 4.36Å
353S96.9Very high96.3Very high0 Ų032.7 Ų32.70%018%0.182CC..EExtended strand (participates in β ladder)trans-117.1131.9165.2173.60000109.5Q348 R378 I379 M381Q348-S353 PolarHBondContact OE1-OG 3.29Å; S353-R378 WeakPolarHBondContact O-CA 3.31Å; S353-I379 PolarHBondContact N-O 2.81Å; S353-I379 PolarHBondContact O-N 3.1Å; S353-M381 VanDerWaalsContact CB-SD 3.56Å
354Y96.4Very high96.4Very high20 Ų2031.2 Ų31.28%0.07817%0.174CC..EExtended strand (participates in β ladder)trans-89.9100.9168-127-135.4000108.3P131 W153 P187 T188 H344 Q348 G356 D376 R378P131-Y354 HydrophobicContact CG-CE1 3.82Å; W153-Y354 HydrophobicContact CD2-CD1 4.13Å; W153-Y354 AromaticContact CE2-CD1 3.75Å; W153-Y354 HydrophobicContact CG-CD1 4.37Å; W153-Y354 HydrophobicContact CZ2-CD1 4.01Å; W153-Y354 AromaticContact NE1-CD1 3.81Å; P187-Y354 HydrophobicContact CB-CD2 3.9Å; P187-Y354 HydrophobicContact CB-CE2 3.52Å; P187-Y354 HydrophobicContact CG-CD2 4.04Å; P187-Y354 HydrophobicContact CG-CE2 3.41Å; P187-Y354 VanDerWaalsContact CG-CE2 3.41Å; T188-Y354 HydrophobicContact CG2-CD1 4.12Å; T188-Y354 HydrophobicContact CG2-CE1 4.43Å; T188-Y354 HydrophobicContact CG2-CG 4.32Å; H344-Y354 PolarHBondContact CD2-O 3.11Å; H344-Y354 VanDerWaalsContact CD2-O 3.3Å; Q348-Y354 PolarHBondContact NE2-O 3.46Å; Y354-G356 VanDerWaalsContact C-N 3.27Å; Y354-G356 PolarHBondContact O-N 3.02Å; Y354-D376 HydrophobicContact CE2-CB 4.2Å; Y354-D376 VanDerWaalsContact CE2-CG 3.47Å; Y354-D376 VanDerWaalsContact CE2-OD2 3.24Å; Y354-D376 WeakPolarHBondContact CE2-OD2 3.43Å; Y354-D376 VanDerWaalsContact OH-CB 3.23Å; Y354-D376 WeakPolarHBondContact OH-CB 3.49Å; Y354-D376 PolarHBondContact OH-OD2 3.49Å; Y354-R378 HydrophobicContact CD2-CB 3.87Å; Y354-R378 HydrophobicContact CD2-CG 4.28Å; Y354-R378 HydrophobicContact CE2-CB 3.84Å
355T95.2Very high96.5Very high0 Ų030.6 Ų30.60%017%0.171CC..  trans-72.7-21-171.760.60000113.3R158 L357 G377 I379R158-T355 PolarHBondContact NH1-O 2.86Å; T355-L357 HydrophobicContact CG2-CD1 4.5Å; T355-L357 PolarHBondContact O-N 3.22Å; T355-L357 WeakPolarHBondContact OG1-CB 3.39Å; T355-L357 VanDerWaalsContact OG1-CG 3.32Å; T355-L357 WeakPolarHBondContact OG1-CG 3.39Å; T355-L357 PolarHBondContact OG1-N 3.04Å; T355-G377 WeakPolarHBondContact CB-O 3.44Å; T355-G377 WeakPolarHBondContact CG2-O 3.48Å; T355-G377 PolarHBondContact N-O 2.96Å; T355-G377 VanDerWaalsContact N-O 3.16Å; T355-G377 PolarHBondContact OG1-O 3.31Å; T355-I379 HydrophobicContact CG2-CB 4.45Å; T355-I379 HydrophobicContact CG2-CD1 3.67Å; T355-I379 HydrophobicContact CG2-CG1 3.76Å; T355-I379 HydrophobicContact CG2-CG2 3.93Å
356G92.8Very high96.5Very high27 Ų2733.4 Ų33.428%0.27818%0.183SC..  trans73.111.2-169.900000114Y354Y354-G356 VanDerWaalsContact C-N 3.27Å; Y354-G356 PolarHBondContact O-N 3.02Å
357L94.8Very high96.4Very high7 Ų734.9 Ų34.94%0.03720%0.195CC..  trans-68.3137.5171.4-66.9170.3000110.4W342 T355 Q361 T362 M365 I373 I396 V400W342-L357 HydrophobicContact CH2-CD2 4.39Å; T355-L357 HydrophobicContact CG2-CD1 4.5Å; T355-L357 PolarHBondContact O-N 3.22Å; T355-L357 WeakPolarHBondContact OG1-CB 3.39Å; T355-L357 VanDerWaalsContact OG1-CG 3.32Å; T355-L357 WeakPolarHBondContact OG1-CG 3.39Å; T355-L357 PolarHBondContact OG1-N 3.04Å; L357-Q361 HydrophobicContact CB-CB 4.24Å; L357-Q361 HydrophobicContact CD2-CB 4.21Å; L357-T362 HydrophobicContact CB-CG2 3.98Å; L357-M365 HydrophobicContact CD1-SD 3.53Å; L357-M365 VanDerWaalsContact CD1-SD 3.53Å; L357-I373 HydrophobicContact CD1-CD1 4.46Å; L357-I396 HydrophobicContact CD1-CG1 4.47Å; L357-V400 HydrophobicContact CD2-CG2 3.94Å
358T95.1Very high96.5Very high25 Ų2535.9 Ų35.915%0.15319%0.194CC..  trans-76.5163-179.669.20000112.4T360 Q361 T362 E405T358-T360 PolarHBondContact O-N 2.88Å; T358-Q361 WeakPolarHBondContact O-CB 3.37Å; T358-Q361 PolarHBondContact O-N 3.44Å; T358-Q361 WeakPolarHBondContact OG1-CG 3.43Å; T358-Q361 PolarHBondContact OG1-N 3.47Å; T358-T362 WeakPolarHBondContact O-CG2 3.28Å; T358-T362 PolarHBondContact O-N 2.96Å; T358-T362 PolarHBondContact O-OG1 3.4Å; T358-E405 HydrophobicContact CG2-CG 3.93Å
359P96Very high96.6Very high80 Ų8037 Ų3752%0.51920%0.199SC..Hα-helixtrans-53.6-36.8173.2-28.435.5000113.7T362 Q363 H375P359-T362 WeakPolarHBondContact CA-OG1 3.4Å; P359-T362 PolarHBondContact O-OG1 2.94Å; P359-Q363 WeakPolarHBondContact O-CB 3.34Å; P359-Q363 PolarHBondContact O-N 3.2Å; P359-H375 WeakPolarHBondContact CA-O 3.39Å; P359-H375 WeakPolarHBondContact CG-O 3.49Å
360T97Very high96.7Very high88 Ų8837.3 Ų37.354%0.5420%0.198SC..Hα-helixtrans-66.2-42.7176.1-50.70000111.4T358 Q363 Y364 V403T358-T360 PolarHBondContact O-N 2.88Å; T360-Q363 PolarHBondContact O-N 3.38Å; T360-Y364 PolarHBondContact O-N 3.32Å; T360-V403 HydrophobicContact CG2-CG1 3.74Å
361Q97.2Very high96.7Very high15 Ų1537.2 Ų37.27%0.0720%0.197CC..Hα-helixtrans-67.2-42.7177.8-73.4173.7-22.700112.1L357 T358 Q363 Y364 M365 T399 V403L357-Q361 HydrophobicContact CB-CB 4.24Å; L357-Q361 HydrophobicContact CD2-CB 4.21Å; T358-Q361 WeakPolarHBondContact O-CB 3.37Å; T358-Q361 PolarHBondContact O-N 3.44Å; T358-Q361 WeakPolarHBondContact OG1-CG 3.43Å; T358-Q361 PolarHBondContact OG1-N 3.47Å; Q361-Q363 VanDerWaalsContact C-N 3.32Å; Q361-Q363 PolarHBondContact O-N 3.39Å; Q361-Y364 PolarHBondContact O-N 2.95Å; Q361-M365 WeakPolarHBondContact O-CG 3.4Å; Q361-M365 PolarHBondContact O-N 3.07Å; Q361-T399 HydrophobicContact CB-CG2 3.51Å; Q361-T399 HydrophobicContact CG-CG2 3.74Å; Q361-V403 HydrophobicContact CG-CB 4.03Å; Q361-V403 HydrophobicContact CG-CG1 3.82Å; Q361-V403 PolarHBondContact NE2-O 2.88Å
362T96.8Very high96.7Very high8 Ų837.9 Ų37.95%0.04920%0.199CC..Hα-helixtrans-65-37.8177.758.60000111.5L357 T358 P359 M365 K366 I373 M374L357-T362 HydrophobicContact CB-CG2 3.98Å; T358-T362 WeakPolarHBondContact O-CG2 3.28Å; T358-T362 PolarHBondContact O-N 2.96Å; T358-T362 PolarHBondContact O-OG1 3.4Å; P359-T362 WeakPolarHBondContact CA-OG1 3.4Å; P359-T362 PolarHBondContact O-OG1 2.94Å; T362-M365 PolarHBondContact O-N 3.41Å; T362-K366 PolarHBondContact O-N 3.26Å; T362-I373 HydrophobicContact CG2-CB 4.33Å; T362-I373 HydrophobicContact CG2-CG2 3.95Å; T362-M374 WeakPolarHBondContact CG2-O 3.48Å
363Q96.6Very high96.6Very high100 Ų10038 Ų3847%0.46720%0.2SC..Hα-helixtrans-65.6-41.8173-177.259.220.500112.1P359 T360 Q361 M365 K366 T367P359-Q363 WeakPolarHBondContact O-CB 3.34Å; P359-Q363 PolarHBondContact O-N 3.2Å; T360-Q363 PolarHBondContact O-N 3.38Å; Q361-Q363 VanDerWaalsContact C-N 3.32Å; Q361-Q363 PolarHBondContact O-N 3.39Å; Q363-M365 PolarHBondContact O-N 3.38Å; Q363-K366 WeakPolarHBondContact O-CB 3.4Å; Q363-K366 PolarHBondContact O-N 3.04Å; Q363-T367 PolarHBondContact O-N 2.96Å; Q363-T367 PolarHBondContact O-OG1 3.33Å
364Y97.8Very high96.6Very high58 Ų5838.2 Ų38.223%0.22720%0.201CC..Hα-helixtrans-61.2-43.9175.6178.3-94.8000111.6T360 Q361 K366 T367 K368 H369 D398 T399 V403T360-Y364 PolarHBondContact O-N 3.32Å; Q361-Y364 PolarHBondContact O-N 2.95Å; Y364-K366 VanDerWaalsContact C-N 3.31Å; Y364-K366 PolarHBondContact O-N 3.46Å; Y364-T367 PolarHBondContact O-N 3.48Å; Y364-T367 PolarHBondContact O-OG1 2.89Å; Y364-K368 HydrophobicContact CD1-CB 4.43Å; Y364-K368 HydrophobicContact CE1-CB 4.14Å; Y364-K368 HydrophobicContact CE1-CG 4.2Å; Y364-K368 HydrophobicContact CE2-CB 4.22Å; Y364-K368 HydrophobicContact CE2-CG 4.4Å; Y364-K368 VanDerWaalsContact O-CB 3.26Å; Y364-K368 WeakPolarHBondContact O-CB 3.35Å; Y364-K368 PolarHBondContact O-N 3.3Å; Y364-H369 AromaticContact CE1-NE2 3.86Å; Y364-D398 WeakPolarHBondContact CE1-OD2 3.48Å; Y364-D398 PolarHBondContact OH-OD2 3.24Å; Y364-T399 HydrophobicContact CD1-CG2 3.93Å; Y364-T399 WeakPolarHBondContact CD1-OG1 3.1Å; Y364-V403 HydrophobicContact CD1-CG2 3.7Å; Y364-V403 HydrophobicContact CD2-CG2 3.63Å; Y364-V403 HydrophobicContact CE1-CG2 4.12Å; Y364-V403 HydrophobicContact CE2-CG2 4.07Å; Y364-V403 HydrophobicContact CG-CG2 3.43Å; Y364-V403 VanDerWaalsContact CG-CG2 3.43Å
365M97.9Very high96.5Very high0 Ų041.9 Ų41.90%022%0.219CC..Hα-helixtrans-58.4-41174.3-74.4-171.973.800112.6L357 Q361 T362 Q363 H369 H370 L371 I373 A395 I396 T399L357-M365 HydrophobicContact CD1-SD 3.53Å; L357-M365 VanDerWaalsContact CD1-SD 3.53Å; Q361-M365 WeakPolarHBondContact O-CG 3.4Å; Q361-M365 PolarHBondContact O-N 3.07Å; T362-M365 PolarHBondContact O-N 3.41Å; Q363-M365 PolarHBondContact O-N 3.38Å; M365-H369 CarbonylContact O-C 3.42Å; M365-H369 WeakPolarHBondContact O-CA 3.45Å; M365-H369 WeakPolarHBondContact O-CB 3.15Å; M365-H369 PolarHBondContact O-N 2.86Å; M365-H370 PolarHBondContact O-N 3.38Å; M365-L371 CarbonylContact C-O 3.53Å; M365-L371 HydrophobicContact CB-CB 4.33Å; M365-L371 HydrophobicContact CE-CB 4.18Å; M365-L371 HydrophobicContact CE-CD1 3.45Å; M365-L371 VanDerWaalsContact CE-CD1 3.45Å; M365-L371 HydrophobicContact CE-CG 4.47Å; M365-L371 PolarHBondContact O-N 2.93Å; M365-L371 VanDerWaalsContact O-N 3.16Å; M365-I373 HydrophobicContact CB-CD1 4.32Å; M365-I373 HydrophobicContact CE-CD1 3.47Å; M365-I373 VanDerWaalsContact CE-CD1 3.47Å; M365-I373 HydrophobicContact SD-CD1 3.47Å; M365-I373 WeakPolarHBondContact SD-CD1 3.38Å; M365-A395 HydrophobicContact CE-CB 3.89Å; M365-I396 HydrophobicContact CE-CG1 3.64Å; M365-I396 HydrophobicContact SD-CG1 4.14Å; M365-T399 HydrophobicContact CG-CG2 3.96Å; M365-T399 WeakPolarHBondContact CG-OG1 3.12Å
366K97.1Very high96.4Very high58 Ų5843.6 Ų43.625%0.25223%0.228SC..Hα-helixtrans-62.1-51.1174.3178.7-179.1171.7178.20111.4T362 Q363 Y364 H370 L371 Y372T362-K366 PolarHBondContact O-N 3.26Å; Q363-K366 WeakPolarHBondContact O-CB 3.4Å; Q363-K366 PolarHBondContact O-N 3.04Å; Y364-K366 VanDerWaalsContact C-N 3.31Å; Y364-K366 PolarHBondContact O-N 3.46Å; K366-H370 WeakPolarHBondContact O-CA 3.28Å; K366-H370 PolarHBondContact O-N 3.05Å; K366-L371 WeakPolarHBondContact CA-O 3.39Å; K366-L371 PolarHBondContact N-O 3.41Å; K366-Y372 HydrophobicContact CD-CD1 4.23Å; K366-Y372 HydrophobicContact CD-CE1 4.06Å; K366-Y372 HydrophobicContact CG-CD1 4.25Å; K366-Y372 HydrophobicContact CG-CE1 4.04Å
367T96.4Very high96.5Very high88 Ų8842.3 Ų42.354%0.5422%0.215SC..Hα-helixtrans-74.8-34.4-172.852.60000114.3Q363 Y364Q363-T367 PolarHBondContact O-N 2.96Å; Q363-T367 PolarHBondContact O-OG1 3.33Å; Y364-T367 PolarHBondContact O-N 3.48Å; Y364-T367 PolarHBondContact O-OG1 2.89Å
368K97.7Very high96.6Very high127 Ų12742.6 Ų42.655%0.55222%0.216SC*.Hα-helixtrans-95.2-37.7-173.4-178.965.1-179.9-177.90112.5Y364Y364-K368 HydrophobicContact CD1-CB 4.43Å; Y364-K368 HydrophobicContact CE1-CB 4.14Å; Y364-K368 HydrophobicContact CE1-CG 4.2Å; Y364-K368 HydrophobicContact CE2-CB 4.22Å; Y364-K368 HydrophobicContact CE2-CG 4.4Å; Y364-K368 VanDerWaalsContact O-CB 3.26Å; Y364-K368 WeakPolarHBondContact O-CB 3.35Å; Y364-K368 PolarHBondContact O-N 3.3Å
369H98.1Very high96.8Very high26 Ų2641.5 Ų41.512%0.1221%0.209CC..Hα-helixtrans-116.50.7-168.5-61.7-73.6000113.2Y364 M365 L371 H391 A395 D398Y364-H369 AromaticContact CE1-NE2 3.86Å; M365-H369 CarbonylContact O-C 3.42Å; M365-H369 WeakPolarHBondContact O-CA 3.45Å; M365-H369 WeakPolarHBondContact O-CB 3.15Å; M365-H369 PolarHBondContact O-N 2.86Å; H369-L371 HydrophobicContact CB-CD1 4.21Å; H369-L371 HydrophobicContact CB-CG 4.14Å; H369-L371 PolarHBondContact O-N 2.94Å; H369-H391 PolarHBondContact O-CE1 3.03Å; H369-H391 PolarHBondContact O-NE2 3.12Å; H369-A395 HydrophobicContact CB-CB 3.62Å; H369-A395 VanDerWaalsContact CG-CB 3.42Å; H369-D398 IonicContact CE1-OD2 3.69Å; H369-D398 PolarHBondContact CE1-OD2 2.75Å; H369-D398 IonicContact NE2-OD2 3.51Å; H369-D398 PolarHBondContact NE2-OD2 3.43Å
370H98.1Very high96.8Very high48 Ų4837.8 Ų37.822%0.22219%0.185CC..  trans58.629.8-178.1-55.4-86.1000112.8D25 D27 K30 V31 M365 K366 Y372D25-H370 IonicContact OD1-CE1 2.69Å; D25-H370 IonicContact OD1-ND1 3.19Å; D25-H370 PolarHBondContact OD1-ND1 2.82Å; D25-H370 IonicContact OD2-CE1 2.74Å; D25-H370 IonicContact OD2-CG 3.43Å; D25-H370 IonicContact OD2-ND1 2.82Å; D25-H370 PolarHBondContact OD2-ND1 3.3Å; D27-H370 HydrophobicContact CB-CB 4.22Å; D27-H370 WeakPolarHBondContact CB-ND1 3.29Å; D27-H370 IonicContact OD1-CD2 2.76Å; D27-H370 IonicContact OD2-CD2 3.97Å; D27-H370 IonicContact OD2-NE2 2.78Å; K30-H370 CarbonylContact C-O 3.41Å; K30-H370 WeakPolarHBondContact CA-O 3.39Å; K30-H370 HydrophobicContact CB-CB 3.96Å; V31-H370 PolarHBondContact N-O 3.45Å; M365-H370 PolarHBondContact O-N 3.38Å; K366-H370 WeakPolarHBondContact O-CA 3.28Å; K366-H370 PolarHBondContact O-N 3.05Å; H370-Y372 WeakPolarHBondContact O-CD2 3.4Å
371L98Very high96.8Very high0 Ų033.6 Ų33.60%016%0.159CC..EExtended strand (participates in β ladder)trans-103.4116.3179.6-65.5179.8000110.8V31 M365 K366 H369 I392 A395V31-L371 HydrophobicContact CB-CD2 3.58Å; V31-L371 HydrophobicContact CG2-CD2 3.75Å; M365-L371 CarbonylContact C-O 3.53Å; M365-L371 HydrophobicContact CB-CB 4.33Å; M365-L371 HydrophobicContact CE-CB 4.18Å; M365-L371 HydrophobicContact CE-CD1 3.45Å; M365-L371 VanDerWaalsContact CE-CD1 3.45Å; M365-L371 HydrophobicContact CE-CG 4.47Å; M365-L371 PolarHBondContact O-N 2.93Å; M365-L371 VanDerWaalsContact O-N 3.16Å; K366-L371 WeakPolarHBondContact CA-O 3.39Å; K366-L371 PolarHBondContact N-O 3.41Å; H369-L371 HydrophobicContact CB-CD1 4.21Å; H369-L371 HydrophobicContact CB-CG 4.14Å; H369-L371 PolarHBondContact O-N 2.94Å; L371-I392 HydrophobicContact CD1-CB 4.44Å; L371-I392 HydrophobicContact CD1-CG1 4.17Å; L371-I392 HydrophobicContact CD2-CG1 3.95Å; L371-A395 HydrophobicContact CD1-CB 3.29Å; L371-A395 HydrophobicContact CG-CB 4.46Å
372Y97.6Very high96.8Very high14 Ų1432.9 Ų32.96%0.05516%0.156CC..EExtended strand (participates in β ladder)trans-96.4102.8-173.3-74.2-103.5000109.7L18 A21 C22 D25 V31 L33 G34 K366 H370L18-Y372 HydrophobicContact CD1-CD1 3.72Å; L18-Y372 HydrophobicContact CD1-CG 4.27Å; L18-Y372 HydrophobicContact CG-CD1 4.08Å; L18-Y372 HydrophobicContact CG-CG 4.48Å; L18-Y372 WeakPolarHBondContact O-CD1 3.28Å; A21-Y372 HydrophobicContact CB-CD1 4.35Å; A21-Y372 HydrophobicContact CB-CE1 3.64Å; A21-Y372 WeakPolarHBondContact O-CE1 3.47Å; A21-Y372 PolarHBondContact O-OH 3.42Å; C22-Y372 HydrophobicContact CB-CD1 3.72Å; C22-Y372 HydrophobicContact CB-CD2 3.79Å; C22-Y372 HydrophobicContact CB-CE1 3.94Å; C22-Y372 HydrophobicContact CB-CE2 4.04Å; C22-Y372 HydrophobicContact CB-CG 3.65Å; D25-Y372 HydrophobicContact CB-CE2 4.29Å; D25-Y372 VanDerWaalsContact CB-OH 3.27Å; D25-Y372 WeakPolarHBondContact CB-OH 3.4Å; D25-Y372 PolarHBondContact OD2-OH 2.63Å; V31-Y372 PolarHBondContact O-N 2.96Å; L33-Y372 CarbonylContact C-O 3.42Å; L33-Y372 WeakPolarHBondContact CA-O 3.42Å; L33-Y372 WeakPolarHBondContact CB-O 3.3Å; L33-Y372 PolarHBondContact N-O 3.43Å; G34-Y372 PolarHBondContact N-O 2.95Å; K366-Y372 HydrophobicContact CD-CD1 4.23Å; K366-Y372 HydrophobicContact CD-CE1 4.06Å; K366-Y372 HydrophobicContact CG-CD1 4.25Å; K366-Y372 HydrophobicContact CG-CE1 4.04Å; H370-Y372 WeakPolarHBondContact O-CD2 3.4Å
373I96Very high96.8Very high8 Ų833 Ų334%0.04116%0.158CC..  trans-118.7150.9-175.6-56.6174000109L33 L357 T362 M365 R378 I379L33-I373 HydrophobicContact CB-CG1 4.16Å; L33-I373 HydrophobicContact CD1-CD1 4.13Å; L33-I373 HydrophobicContact CD1-CG1 3.9Å; L357-I373 HydrophobicContact CD1-CD1 4.46Å; T362-I373 HydrophobicContact CG2-CB 4.33Å; T362-I373 HydrophobicContact CG2-CG2 3.95Å; M365-I373 HydrophobicContact CB-CD1 4.32Å; M365-I373 HydrophobicContact CE-CD1 3.47Å; M365-I373 VanDerWaalsContact CE-CD1 3.47Å; M365-I373 HydrophobicContact SD-CD1 3.47Å; M365-I373 WeakPolarHBondContact SD-CD1 3.38Å; I373-R378 WeakPolarHBondContact CG2-O 3.46Å; I373-I379 HydrophobicContact CB-CG2 4.4Å; I373-I379 HydrophobicContact CD1-CG2 4Å; I373-I379 HydrophobicContact CG1-CG2 3.96Å; I373-I379 HydrophobicContact CG2-CG2 3.61Å
374M95.4Very high96.9Very high5 Ų528.3 Ų28.33%0.02514%0.135CC..  trans-62.7146.3172.2-59.3-62.6-63.900110.2E14 V15 L18 T362 D376 G377 R378E14-M374 HydrophobicContact CB-CE 4.21Å; E14-M374 HydrophobicContact CG-CE 3.92Å; E14-M374 WeakPolarHBondContact OE2-CE 3.3Å; V15-M374 HydrophobicContact CB-CE 4.31Å; V15-M374 HydrophobicContact CB-SD 4.19Å; V15-M374 HydrophobicContact CG2-SD 4.36Å; L18-M374 HydrophobicContact CD2-SD 4.17Å; T362-M374 WeakPolarHBondContact CG2-O 3.48Å; M374-D376 WeakPolarHBondContact CB-OD1 3.42Å; M374-D376 PolarHBondContact O-N 3.36Å; M374-G377 PolarHBondContact O-N 3.31Å; M374-R378 HydrophobicContact CB-CB 4.02Å; M374-R378 HydrophobicContact CG-CB 4.03Å; M374-R378 PolarHBondContact N-O 3.44Å; M374-R378 PolarHBondContact SD-NH2 3.17Å; M374-R378 VanDerWaalsContact SD-NH2 3.36Å
375H94.6Very high96.9Very high98 Ų9826 Ų2645%0.45413%0.127SC..THydrogen-bonded Turntrans-56.4-26.4-178.374.7-71.8000113.3E14 P359 G377E14-H375 WeakPolarHBondContact OE1-CB 3.31Å; E14-H375 IonicContact OE1-CE1 2.76Å; E14-H375 IonicContact OE1-CG 2.95Å; E14-H375 PolarHBondContact OE1-N 2.97Å; E14-H375 IonicContact OE1-ND1 2.71Å; E14-H375 PolarHBondContact OE1-ND1 3.04Å; E14-H375 IonicContact OE2-CE1 3.47Å; E14-H375 PolarHBondContact OE2-CE1 2.8Å; E14-H375 IonicContact OE2-ND1 3.29Å; E14-H375 PolarHBondContact OE2-ND1 3.05Å; P359-H375 WeakPolarHBondContact CA-O 3.39Å; P359-H375 WeakPolarHBondContact CG-O 3.49Å; H375-G377 VanDerWaalsContact C-N 3.29Å
376D93.3Very high96.8Very high36 Ų3629.9 Ų29.919%0.19315%0.151CC..THydrogen-bonded Turntrans-87.46.6-179.674.3-11.9000113.7Y354 M374 R378Y354-D376 HydrophobicContact CE2-CB 4.2Å; Y354-D376 VanDerWaalsContact CE2-CG 3.47Å; Y354-D376 VanDerWaalsContact CE2-OD2 3.24Å; Y354-D376 WeakPolarHBondContact CE2-OD2 3.43Å; Y354-D376 VanDerWaalsContact OH-CB 3.23Å; Y354-D376 WeakPolarHBondContact OH-CB 3.49Å; Y354-D376 PolarHBondContact OH-OD2 3.49Å; M374-D376 WeakPolarHBondContact CB-OD1 3.42Å; M374-D376 PolarHBondContact O-N 3.36Å; D376-R378 VanDerWaalsContact C-N 3.32Å; D376-R378 PolarHBondContact O-N 3.22Å; D376-R378 VanDerWaalsContact OD1-CB 3.29Å; D376-R378 WeakPolarHBondContact OD1-CB 3.33Å; D376-R378 PolarHBondContact OD1-N 3.11Å
377G95.3Very high96.8Very high0 Ų033.6 Ų33.60%017%0.174CC..  trans80.36.8178.200000114.4T355 M374 H375 I379T355-G377 WeakPolarHBondContact CB-O 3.44Å; T355-G377 WeakPolarHBondContact CG2-O 3.48Å; T355-G377 PolarHBondContact N-O 2.96Å; T355-G377 VanDerWaalsContact N-O 3.16Å; T355-G377 PolarHBondContact OG1-O 3.31Å; M374-G377 PolarHBondContact O-N 3.31Å; H375-G377 VanDerWaalsContact C-N 3.29Å; G377-I379 PolarHBondContact O-N 3.4Å
378R97.4Very high96.8Very high13 Ų1330.5 Ų30.55%0.04915%0.154CC..EExtended strand (participates in β ladder)trans-68.2125.7172.9-167.8-167.276-156.4-6.2111.4G34 N186 P187 F352 S353 Y354 I373 M374 D376G34-R378 PolarHBondContact O-NH2 3.22Å; N186-R378 PolarHBondContact OD1-NH1 3Å; P187-R378 HydrophobicContact CB-CB 4.22Å; P187-R378 VanDerWaalsContact CB-CD 3.45Å; P187-R378 HydrophobicContact CB-CG 3.89Å; F352-R378 HydrophobicContact CB-CG 3.84Å; F352-R378 HydrophobicContact CD1-CG 3.95Å; F352-R378 HydrophobicContact CG-CG 4.03Å; S353-R378 WeakPolarHBondContact O-CA 3.31Å; Y354-R378 HydrophobicContact CD2-CB 3.87Å; Y354-R378 HydrophobicContact CD2-CG 4.28Å; Y354-R378 HydrophobicContact CE2-CB 3.84Å; I373-R378 WeakPolarHBondContact CG2-O 3.46Å; M374-R378 HydrophobicContact CB-CB 4.02Å; M374-R378 HydrophobicContact CG-CB 4.03Å; M374-R378 PolarHBondContact N-O 3.44Å; M374-R378 PolarHBondContact SD-NH2 3.17Å; M374-R378 VanDerWaalsContact SD-NH2 3.36Å; D376-R378 VanDerWaalsContact C-N 3.32Å; D376-R378 PolarHBondContact O-N 3.22Å; D376-R378 VanDerWaalsContact OD1-CB 3.29Å; D376-R378 WeakPolarHBondContact OD1-CB 3.33Å; D376-R378 PolarHBondContact OD1-N 3.11Å
379I97.5Very high96.8Very high1 Ų124.9 Ų24.91%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-114.2147.6168.264173.9000111.4L33 L329 F352 S353 T355 I373 G377 M381L33-I379 HydrophobicContact CB-CB 4.18Å; L33-I379 HydrophobicContact CB-CG2 4.16Å; L33-I379 HydrophobicContact CD1-CG2 4.09Å; L33-I379 CarbonylContact O-C 3.6Å; L33-I379 WeakPolarHBondContact O-CA 3.21Å; L329-I379 HydrophobicContact CD2-CD1 3.95Å; F352-I379 CarbonylContact C-O 3.47Å; F352-I379 VanDerWaalsContact CA-O 3.23Å; F352-I379 WeakPolarHBondContact CA-O 3.36Å; S353-I379 PolarHBondContact N-O 2.81Å; S353-I379 PolarHBondContact O-N 3.1Å; T355-I379 HydrophobicContact CG2-CB 4.45Å; T355-I379 HydrophobicContact CG2-CD1 3.67Å; T355-I379 HydrophobicContact CG2-CG1 3.76Å; T355-I379 HydrophobicContact CG2-CG2 3.93Å; I373-I379 HydrophobicContact CB-CG2 4.4Å; I373-I379 HydrophobicContact CD1-CG2 4Å; I373-I379 HydrophobicContact CG1-CG2 3.96Å; I373-I379 HydrophobicContact CG2-CG2 3.61Å; G377-I379 PolarHBondContact O-N 3.4Å; I379-M381 HydrophobicContact CD1-SD 3.69Å; I379-M381 HydrophobicContact CG1-SD 3.87Å
380N97.1Very high96.8Very high3 Ų330.4 Ų30.42%0.01616%0.156CC..EExtended strand (participates in β ladder)trans-88.3109.717117623.1000109.8L33 V35 A37 M351 F352 C382 A383L33-N380 VanDerWaalsContact O-CB 3.32Å; L33-N380 WeakPolarHBondContact O-CB 3.32Å; L33-N380 PolarHBondContact O-N 3.42Å; V35-N380 WeakPolarHBondContact O-CB 3.37Å; V35-N380 VanDerWaalsContact O-CG 3.3Å; V35-N380 PolarHBondContact O-ND2 3.24Å; A37-N380 PolarHBondContact O-ND2 3.09Å; M351-N380 CarbonylContact O-C 3.51Å; M351-N380 WeakPolarHBondContact O-CA 3.41Å; M351-N380 PolarHBondContact O-OD1 3.02Å; F352-N380 HydrophobicContact CD1-CB 4.33Å; F352-N380 HydrophobicContact CE1-CB 4.36Å; N380-C382 PolarHBondContact O-N 2.77Å; N380-C382 VanDerWaalsContact O-N 3.14Å; N380-C382 WeakPolarHBondContact OD1-CB 3.46Å; N380-C382 PolarHBondContact OD1-N 2.64Å; N380-A383 HydrophobicContact CB-CB 4.47Å; N380-A383 WeakPolarHBondContact O-CB 3.34Å; N380-A383 PolarHBondContact O-N 3.13Å
381M97.7Very high96.8Very high0 Ų030.7 Ų30.70%016%0.157CC..G310 helixtrans-63-19.6176.7-59.3-47.1-67.300112.8R321 I322 R326 L329 I345 M351 S353 I379 A383 L384R321-M381 PolarHBondContact NH2-O 3.18Å; I322-M381 HydrophobicContact CG2-CB 4.04Å; R326-M381 HydrophobicContact CB-CE 4.24Å; R326-M381 HydrophobicContact CG-CB 4.48Å; R326-M381 HydrophobicContact CG-CE 3.62Å; R326-M381 HydrophobicContact CG-CG 3.99Å; R326-M381 HydrophobicContact CG-SD 4.48Å; L329-M381 HydrophobicContact CB-CE 4.49Å; L329-M381 HydrophobicContact CD2-CE 4.05Å; I345-M381 HydrophobicContact CG2-CE 4.14Å; M351-M381 PolarHBondContact O-N 2.99Å; S353-M381 VanDerWaalsContact CB-SD 3.56Å; I379-M381 HydrophobicContact CD1-SD 3.69Å; I379-M381 HydrophobicContact CG1-SD 3.87Å; M381-A383 VanDerWaalsContact C-N 3.26Å; M381-A383 PolarHBondContact O-N 2.78Å; M381-L384 HydrophobicContact CE-CD2 3.7Å
382C96.9Very high96.8Very high0 Ų030.8 Ų30.80%016%0.157CC..G310 helixtrans-73-16.8173.9-56.60000113.6A37 Y38 R39 R321 I322 M351 N380A37-C382 WeakPolarHBondContact O-CB 3.17Å; Y38-C382 HydrophobicContact CD2-CB 4.33Å; R39-C382 WeakPolarHBondContact CB-O 3.23Å; R321-C382 VanDerWaalsContact NH2-CA 3.28Å; R321-C382 PolarHBondContact NH2-O 3.48Å; I322-C382 WeakPolarHBondContact CD1-SG 3.38Å; I322-C382 VanDerWaalsContact CG1-SG 3.59Å; M351-C382 HydrophobicContact CE-CB 4.32Å; M351-C382 VanDerWaalsContact CE-SG 3.58Å; N380-C382 PolarHBondContact O-N 2.77Å; N380-C382 VanDerWaalsContact O-N 3.14Å; N380-C382 WeakPolarHBondContact OD1-CB 3.46Å; N380-C382 PolarHBondContact OD1-N 2.64Å
383A97Very high96.9Very high11 Ų1130.1 Ų30.19%0.09116%0.155CC..G310 helixtrans-87.1-11.8178.600000113.2N32 L33 N380 M381 N388N32-A383 VanDerWaalsContact O-CB 3.26Å; N32-A383 WeakPolarHBondContact O-CB 3.48Å; L33-A383 HydrophobicContact CD2-CB 3.71Å; N380-A383 HydrophobicContact CB-CB 4.47Å; N380-A383 WeakPolarHBondContact O-CB 3.34Å; N380-A383 PolarHBondContact O-N 3.13Å; M381-A383 VanDerWaalsContact C-N 3.26Å; M381-A383 PolarHBondContact O-N 2.78Å; A383-N388 PolarHBondContact O-ND2 2.97Å
384L97.9Very high97Very high0 Ų033.9 Ų33.90%017%0.172CC..  trans-71.7145.6171.6-82.766.1000110.4L33 R321 M325 L329 M381 N388 I389 I392L33-L384 HydrophobicContact CD2-CD1 3.78Å; R321-L384 PolarHBondContact NH1-O 3.03Å; R321-L384 PolarHBondContact NH2-O 3.18Å; M325-L384 HydrophobicContact CB-CB 3.87Å; M325-L384 HydrophobicContact CB-CD2 4.24Å; M325-L384 HydrophobicContact CG-CB 3.87Å; M325-L384 HydrophobicContact SD-CB 3.88Å; L329-L384 HydrophobicContact CB-CD2 3.89Å; L329-L384 HydrophobicContact CD2-CD2 4.01Å; L329-L384 HydrophobicContact CG-CD2 4.35Å; M381-L384 HydrophobicContact CE-CD2 3.7Å; L384-N388 WeakPolarHBondContact CA-OD1 3.39Å; L384-I389 HydrophobicContact CD2-CD1 4.09Å; L384-I389 HydrophobicContact CD2-CG1 4.08Å; L384-I392 HydrophobicContact CD1-CD1 4.01Å; L384-I392 HydrophobicContact CG-CD1 3.86Å
385T97.4Very high97.1Very high9 Ų933.6 Ų33.66%0.05517%0.171CC..  trans-140.9163.9175.9680000109.2N41 N387 N388 I389N41-T385 WeakPolarHBondContact O-CB 3.28Å; N41-T385 WeakPolarHBondContact O-CG2 3.34Å; T385-N387 PolarHBondContact O-N 3.12Å; T385-N387 PolarHBondContact OG1-N 3.28Å; T385-N388 PolarHBondContact N-OD1 3.49Å; T385-N388 PolarHBondContact O-N 3.4Å; T385-N388 PolarHBondContact O-OD1 3.49Å; T385-N388 VanDerWaalsContact OG1-CG 3.25Å; T385-N388 PolarHBondContact OG1-N 3.39Å; T385-N388 PolarHBondContact OG1-OD1 2.86Å; T385-I389 WeakPolarHBondContact O-CB 3.28Å; T385-I389 PolarHBondContact O-N 2.81Å; T385-I389 VanDerWaalsContact O-N 3.08Å
386T96.4Very high97.3Very high83 Ų8329 Ų2951%0.50915%0.15SC..THydrogen-bonded Turntrans-57.5-21.1171.855.80000113.1N41 M325N41-T386 PolarHBondContact ND2-OG1 3.01Å; N41-T386 PolarHBondContact OD1-N 3.32Å; N41-T386 PolarHBondContact OD1-OG1 2.92Å; M325-T386 HydrophobicContact CE-CG2 4.43Å
387N96.1Very high97.5Very high136 Ų13628.8 Ų28.873%0.72715%0.147SC*.THydrogen-bonded Turntrans-94.1-16.8-175.5-59.6-13.6000113.5T385T385-N387 PolarHBondContact O-N 3.12Å; T385-N387 PolarHBondContact OG1-N 3.28Å
388N97.3Very high97.7Very high23 Ų2330.5 Ų30.512%0.12316%0.157CC..THydrogen-bonded Turntrans-119.4-9.8-177.772.712.1000114V31 A383 L384 T385 E390 H391 I392V31-N388 HydrophobicContact CG2-CB 4.24Å; A383-N388 PolarHBondContact O-ND2 2.97Å; L384-N388 WeakPolarHBondContact CA-OD1 3.39Å; T385-N388 PolarHBondContact N-OD1 3.49Å; T385-N388 PolarHBondContact O-N 3.4Å; T385-N388 PolarHBondContact O-OD1 3.49Å; T385-N388 VanDerWaalsContact OG1-CG 3.25Å; T385-N388 PolarHBondContact OG1-N 3.39Å; T385-N388 PolarHBondContact OG1-OD1 2.86Å; N388-E390 VanDerWaalsContact C-N 3.3Å; N388-E390 PolarHBondContact O-N 2.97Å; N388-H391 PolarHBondContact O-N 3.33Å; N388-I392 HydrophobicContact CB-CD1 4.36Å; N388-I392 WeakPolarHBondContact O-CG1 3.5Å; N388-I392 PolarHBondContact O-N 3.38Å; N388-I392 WeakPolarHBondContact OD1-CD1 3.4Å
389I98.1Very high97.7Very high9 Ų929.9 Ų29.95%0.04615%0.154CC..Hα-helixtrans-63.7-35.8-173.8-162.8163.6000112.9M325 L329 L384 T385 I392 A393M325-I389 HydrophobicContact SD-CD1 4.27Å; L329-I389 HydrophobicContact CB-CD1 4.21Å; L329-I389 HydrophobicContact CB-CG1 4.29Å; L329-I389 HydrophobicContact CD1-CG1 4.49Å; L329-I389 VanDerWaalsContact N-CD1 3.31Å; L384-I389 HydrophobicContact CD2-CD1 4.09Å; L384-I389 HydrophobicContact CD2-CG1 4.08Å; T385-I389 WeakPolarHBondContact O-CB 3.28Å; T385-I389 PolarHBondContact O-N 2.81Å; T385-I389 VanDerWaalsContact O-N 3.08Å; I389-I392 PolarHBondContact O-N 2.88Å; I389-A393 WeakPolarHBondContact O-CB 3.49Å; I389-A393 PolarHBondContact O-N 3.32Å
390E98.1Very high97.7Very high142 Ų14231.3 Ų31.366%0.66416%0.163SC*.Hα-helixtrans-65.4-47.2175.4-174.2177-176.100111.3N388 I392 A393 Q394N388-E390 VanDerWaalsContact C-N 3.3Å; N388-E390 PolarHBondContact O-N 2.97Å; E390-I392 VanDerWaalsContact C-N 3.32Å; E390-I392 PolarHBondContact O-N 3.48Å; E390-A393 PolarHBondContact O-N 3.07Å; E390-Q394 WeakPolarHBondContact O-CB 3.42Å; E390-Q394 PolarHBondContact O-N 3.21Å
391H98Very high97.7Very high54 Ų5435 Ų3525%0.2518%0.182CC..Hα-helixtrans-56.9-45.6174.9177.854000111.7H369 N388 Q394 A395H369-H391 PolarHBondContact O-CE1 3.03Å; H369-H391 PolarHBondContact O-NE2 3.12Å; N388-H391 PolarHBondContact O-N 3.33Å; H391-Q394 PolarHBondContact O-N 3.39Å; H391-A395 VanDerWaalsContact O-CB 3.31Å; H391-A395 WeakPolarHBondContact O-CB 3.5Å; H391-A395 PolarHBondContact O-N 3.46Å
392I98.3Very high97.6Very high1 Ų139.7 Ų39.71%0.00521%0.207CC..Hα-helixtrans-63.7-46178.5-65.9162.9000111.1L33 L329 L371 L384 N388 I389 E390 A395 I396L33-I392 HydrophobicContact CD1-CD1 4.37Å; L33-I392 HydrophobicContact CD1-CG1 4.41Å; L33-I392 HydrophobicContact CD1-CG2 4.27Å; L33-I392 HydrophobicContact CD2-CD1 4Å; L329-I392 HydrophobicContact CD1-CG2 4.16Å; L371-I392 HydrophobicContact CD1-CB 4.44Å; L371-I392 HydrophobicContact CD1-CG1 4.17Å; L371-I392 HydrophobicContact CD2-CG1 3.95Å; L384-I392 HydrophobicContact CD1-CD1 4.01Å; L384-I392 HydrophobicContact CG-CD1 3.86Å; N388-I392 HydrophobicContact CB-CD1 4.36Å; N388-I392 WeakPolarHBondContact O-CG1 3.5Å; N388-I392 PolarHBondContact O-N 3.38Å; N388-I392 WeakPolarHBondContact OD1-CD1 3.4Å; I389-I392 PolarHBondContact O-N 2.88Å; E390-I392 VanDerWaalsContact C-N 3.32Å; E390-I392 PolarHBondContact O-N 3.48Å; I392-A395 PolarHBondContact O-N 2.99Å; I392-I396 HydrophobicContact CG2-CD1 4.05Å; I392-I396 WeakPolarHBondContact O-CG1 3.38Å; I392-I396 PolarHBondContact O-N 3.34Å
393A98.6Very high97.6Very high0 Ų040.5 Ų40.50%021%0.212CC..Hα-helixtrans-63.1-43178.900000111.7L329 H332 L333 L336 I389 E390 A395 I396 H397L329-A393 HydrophobicContact CD1-CB 4.05Å; H332-A393 HydrophobicContact CB-CB 3.47Å; H332-A393 VanDerWaalsContact CB-CB 3.47Å; L333-A393 HydrophobicContact CD2-CB 4.26Å; L333-A393 HydrophobicContact CG-CB 4.43Å; L336-A393 HydrophobicContact CD1-CB 4.07Å; I389-A393 WeakPolarHBondContact O-CB 3.49Å; I389-A393 PolarHBondContact O-N 3.32Å; E390-A393 PolarHBondContact O-N 3.07Å; A393-A395 VanDerWaalsContact C-N 3.35Å; A393-A395 PolarHBondContact O-N 3.23Å; A393-I396 PolarHBondContact O-N 3.08Å; A393-H397 WeakPolarHBondContact O-CB 3.2Å; A393-H397 PolarHBondContact O-N 3.21Å
394Q98.5Very high97Very high87 Ų8748.5 Ų48.541%0.40725%0.245SC..Hα-helixtrans-64.1-39.9177.3-173.359.459.600111.9E390 H391 H397 D398E390-Q394 WeakPolarHBondContact O-CB 3.42Å; E390-Q394 PolarHBondContact O-N 3.21Å; H391-Q394 PolarHBondContact O-N 3.39Å; Q394-H397 PolarHBondContact O-N 3.33Å; Q394-D398 WeakPolarHBondContact O-CB 3.38Å; Q394-D398 PolarHBondContact O-N 3.04Å
395A98.4Very high95.7Very high0 Ų058.7 Ų58.70%029%0.293CS..Hα-helixtrans-66.3-41.1176.800000112.4M365 H369 L371 H391 I392 A393 H397 T399M365-A395 HydrophobicContact CE-CB 3.89Å; H369-A395 HydrophobicContact CB-CB 3.62Å; H369-A395 VanDerWaalsContact CG-CB 3.42Å; L371-A395 HydrophobicContact CD1-CB 3.29Å; L371-A395 HydrophobicContact CG-CB 4.46Å; H391-A395 VanDerWaalsContact O-CB 3.31Å; H391-A395 WeakPolarHBondContact O-CB 3.5Å; H391-A395 PolarHBondContact O-N 3.46Å; I392-A395 PolarHBondContact O-N 2.99Å; A393-A395 VanDerWaalsContact C-N 3.35Å; A393-A395 PolarHBondContact O-N 3.23Å; A395-H397 VanDerWaalsContact C-N 3.35Å; A395-T399 VanDerWaalsContact O-CB 3.24Å; A395-T399 WeakPolarHBondContact O-CB 3.34Å; A395-T399 PolarHBondContact O-N 2.64Å; A395-T399 PolarHBondContact O-OG1 3.04Å
396I98.2Very high95.6Very high2 Ų261.2 Ų61.21%0.0130%0.304CS..Hα-helixtrans-61.9-46.3173.3-68169.7000109.8L329 L333 T338 W342 L357 M365 I392 A393 T399 V400L329-I396 HydrophobicContact CD1-CD1 4.28Å; L333-I396 HydrophobicContact CD2-CB 3.84Å; L333-I396 HydrophobicContact CD2-CD1 4.37Å; L333-I396 HydrophobicContact CD2-CG2 3.64Å; T338-I396 HydrophobicContact CG2-CG2 4.5Å; W342-I396 HydrophobicContact CH2-CG2 3.46Å; W342-I396 VanDerWaalsContact CH2-CG2 3.46Å; W342-I396 HydrophobicContact CZ2-CG2 3.79Å; W342-I396 HydrophobicContact CZ3-CG2 4.03Å; L357-I396 HydrophobicContact CD1-CG1 4.47Å; M365-I396 HydrophobicContact CE-CG1 3.64Å; M365-I396 HydrophobicContact SD-CG1 4.14Å; I392-I396 HydrophobicContact CG2-CD1 4.05Å; I392-I396 WeakPolarHBondContact O-CG1 3.38Å; I392-I396 PolarHBondContact O-N 3.34Å; A393-I396 PolarHBondContact O-N 3.08Å; I396-T399 PolarHBondContact O-N 3.3Å; I396-V400 HydrophobicContact CG2-CG2 4.27Å; I396-V400 VanDerWaalsContact O-CG2 3.25Å; I396-V400 WeakPolarHBondContact O-CG2 3.15Å; I396-V400 PolarHBondContact O-N 3.17Å
397H98.4Very high95.5Very high30 Ų3060.1 Ų60.114%0.13929%0.294CS..Hα-helixtrans-57.6-52.5178.6-17986.5000112.4L336 T338 A393 Q394 A395 T399 V400 I401L336-H397 HydrophobicContact CB-CB 4.47Å; L336-H397 HydrophobicContact CD1-CB 3.98Å; L336-H397 PolarHBondContact O-CE1 3.21Å; L336-H397 PolarHBondContact O-ND1 2.76Å; T338-H397 VanDerWaalsContact CA-ND1 3.34Å; T338-H397 WeakPolarHBondContact CA-ND1 3.42Å; T338-H397 HydrophobicContact CG2-CB 4.25Å; T338-H397 PolarHBondContact OG1-ND1 3.23Å; A393-H397 WeakPolarHBondContact O-CB 3.2Å; A393-H397 PolarHBondContact O-N 3.21Å; Q394-H397 PolarHBondContact O-N 3.33Å; A395-H397 VanDerWaalsContact C-N 3.35Å; H397-T399 VanDerWaalsContact C-N 3.31Å; H397-T399 PolarHBondContact O-N 3.24Å; H397-V400 PolarHBondContact O-N 3.22Å; H397-I401 WeakPolarHBondContact NE2-CD1 3.35Å; H397-I401 WeakPolarHBondContact O-CG1 3.41Å; H397-I401 PolarHBondContact O-N 2.96Å
398D98.5Very high95.5Very high36 Ų3655.8 Ų55.819%0.19327%0.27CS..Hα-helixtrans-57.3-44.6176.7179.573.5000111.7Y364 H369 Q394 I401 N402Y364-D398 WeakPolarHBondContact CE1-OD2 3.48Å; Y364-D398 PolarHBondContact OH-OD2 3.24Å; H369-D398 IonicContact CE1-OD2 3.69Å; H369-D398 PolarHBondContact CE1-OD2 2.75Å; H369-D398 IonicContact NE2-OD2 3.51Å; H369-D398 PolarHBondContact NE2-OD2 3.43Å; Q394-D398 WeakPolarHBondContact O-CB 3.38Å; Q394-D398 PolarHBondContact O-N 3.04Å; D398-I401 PolarHBondContact O-N 3.27Å; D398-N402 WeakPolarHBondContact O-CB 3.36Å; D398-N402 PolarHBondContact O-N 2.99Å; D398-N402 PolarHBondContact O-ND2 3.3Å; D398-N402 PolarHBondContact OD1-ND2 3.19Å
399T97.9Very high95.4Very high0 Ų057.8 Ų57.80%028%0.278CS..Hα-helixtrans-63.3-46.2-178.6-60.60000111.9Q361 Y364 M365 A395 I396 H397 I401 N402 V403Q361-T399 HydrophobicContact CB-CG2 3.51Å; Q361-T399 HydrophobicContact CG-CG2 3.74Å; Y364-T399 HydrophobicContact CD1-CG2 3.93Å; Y364-T399 WeakPolarHBondContact CD1-OG1 3.1Å; M365-T399 HydrophobicContact CG-CG2 3.96Å; M365-T399 WeakPolarHBondContact CG-OG1 3.12Å; A395-T399 VanDerWaalsContact O-CB 3.24Å; A395-T399 WeakPolarHBondContact O-CB 3.34Å; A395-T399 PolarHBondContact O-N 2.64Å; A395-T399 PolarHBondContact O-OG1 3.04Å; I396-T399 PolarHBondContact O-N 3.3Å; H397-T399 VanDerWaalsContact C-N 3.31Å; H397-T399 PolarHBondContact O-N 3.24Å; T399-I401 VanDerWaalsContact C-N 3.28Å; T399-I401 PolarHBondContact O-N 2.74Å; T399-N402 PolarHBondContact O-N 3.43Å; T399-V403 HydrophobicContact CG2-CB 4.44Å; T399-V403 WeakPolarHBondContact O-CA 3.49Å; T399-V403 WeakPolarHBondContact O-CB 3.42Å; T399-V403 PolarHBondContact O-N 2.94Å
400V96.4Very high95.2Very high32 Ų3260.8 Ų60.819%0.19429%0.293CS..Hα-helixtrans-68.5-29.7-177171.60000111.7P339 W342 L357 I396 H397P339-V400 HydrophobicContact CB-CG1 3.94Å; P339-V400 HydrophobicContact CG-CG1 4.16Å; W342-V400 HydrophobicContact CH2-CG2 4.17Å; W342-V400 HydrophobicContact CZ2-CG2 3.9Å; L357-V400 HydrophobicContact CD2-CG2 3.94Å; I396-V400 HydrophobicContact CG2-CG2 4.27Å; I396-V400 VanDerWaalsContact O-CG2 3.25Å; I396-V400 WeakPolarHBondContact O-CG2 3.15Å; I396-V400 PolarHBondContact O-N 3.17Å; H397-V400 PolarHBondContact O-N 3.22Å
401I97Very high95.1Very high80 Ų8055.4 Ų55.441%0.4127%0.268SS..Hα-helixtrans-76.4-44.6175.8-70.1175.9000111.5P339 H397 D398 T399P339-I401 HydrophobicContact CG-CG1 4.06Å; H397-I401 WeakPolarHBondContact NE2-CD1 3.35Å; H397-I401 WeakPolarHBondContact O-CG1 3.41Å; H397-I401 PolarHBondContact O-N 2.96Å; D398-I401 PolarHBondContact O-N 3.27Å; T399-I401 VanDerWaalsContact C-N 3.28Å; T399-I401 PolarHBondContact O-N 2.74Å
402N97.2Very high94.8Very high98 Ų9855.5 Ų55.552%0.52427%0.269SS..Hα-helixtrans-94.7-20.6-167.6-67.5-52.4000114.2D398 T399D398-N402 WeakPolarHBondContact O-CB 3.36Å; D398-N402 PolarHBondContact O-N 2.99Å; D398-N402 PolarHBondContact O-ND2 3.3Å; D398-N402 PolarHBondContact OD1-ND2 3.19Å; T399-N402 PolarHBondContact O-N 3.43Å
403V96.1Very high94.6Very high18 Ų1859.7 Ų59.711%0.10929%0.29CS..  trans-118.493.5-178.6-1730000109.1T360 Q361 Y364 T399T360-V403 HydrophobicContact CG2-CG1 3.74Å; Q361-V403 HydrophobicContact CG-CB 4.03Å; Q361-V403 HydrophobicContact CG-CG1 3.82Å; Q361-V403 PolarHBondContact NE2-O 2.88Å; Y364-V403 HydrophobicContact CD1-CG2 3.7Å; Y364-V403 HydrophobicContact CD2-CG2 3.63Å; Y364-V403 HydrophobicContact CE1-CG2 4.12Å; Y364-V403 HydrophobicContact CE2-CG2 4.07Å; Y364-V403 HydrophobicContact CG-CG2 3.43Å; Y364-V403 VanDerWaalsContact CG-CG2 3.43Å; T399-V403 HydrophobicContact CG2-CB 4.44Å; T399-V403 WeakPolarHBondContact O-CA 3.49Å; T399-V403 WeakPolarHBondContact O-CB 3.42Å; T399-V403 PolarHBondContact O-N 2.94Å
404K84.3Confident94.2Very high178 Ų17864.7 Ų64.777%0.77431%0.314SS*.  trans-76.7152.2172.6-63.2-170.6178.9-176.60110.4
405E70.1Confident93.9Very high215 Ų21562.6 Ų62.6100%1.00531%0.305SS*.  trans-57.10176.3-64.6-170.315200113.3T358T358-E405 HydrophobicContact CG2-CG 3.93Å

Retrieved 405 of 405 residues in 132.6 ms (Link to these results)

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