A0A5K4EK53_SCHMA Loading...

Venom allergen-like (VAL) 6 protein

AlphaFold DB , UniProt , Accession A0A5K4EK53, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 414 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
1M83.6Confident96.3Very high198 Ų19870.3 Ų70.398%0.97533%0.33SS*.  01370177.6-175.6-78.800107.1Q37 E41M1-Q37 WeakPolarHBondContact O-CG 3.33Å; M1-E41 PolarHBondContact N-OE1 3.41Å
2I95.3Very high96.5Very high47 Ų4778.2 Ų78.224%0.24135%0.354CS..  trans-74.3137.9-177.9-53.8171.1000110E4 M33 I34I2-E4 PolarHBondContact O-N 3.28Å; I2-M33 HydrophobicContact CD1-CB 4.14Å; I2-M33 HydrophobicContact CG2-CB 4.15Å; I2-M33 HydrophobicContact CG2-CE 3.48Å; I2-M33 VanDerWaalsContact CG2-CE 3.48Å; I2-I34 HydrophobicContact CD1-CG1 3.53Å; I2-I34 HydrophobicContact CG1-CG1 4.32Å
3N96.2Very high96.6Very high64 Ų6473.1 Ų73.134%0.34233%0.331SS..  trans-92.494.8173.2-172-28.1000110R5 F6 N7N3-R5 PolarHBondContact OD1-N 3.13Å; N3-F6 HydrophobicContact CB-CB 3.87Å; N3-F6 VanDerWaalsContact CG-CB 3.43Å; N3-F6 PolarHBondContact O-N 3.4Å; N3-F6 WeakPolarHBondContact OD1-CB 3.34Å; N3-F6 PolarHBondContact OD1-N 3.03Å; N3-N7 PolarHBondContact O-N 3.45Å; N3-N7 VanDerWaalsContact O-N 3.12Å; N3-N7 PolarHBondContact O-ND2 3.42Å
4E96.9Very high96.7Very high143 Ų14367.9 Ų67.967%0.66831%0.308SS*.Hα-helixtrans-60.1-47.7-177.9-67.1178.2178.400112I2 F6 N7 D8I2-E4 PolarHBondContact O-N 3.28Å; E4-F6 VanDerWaalsContact C-N 3.26Å; E4-F6 PolarHBondContact O-N 3.17Å; E4-N7 WeakPolarHBondContact O-CB 3.23Å; E4-N7 PolarHBondContact O-N 3.12Å; E4-D8 PolarHBondContact O-N 3.18Å
5R97.6Very high96.8Very high185 Ų18564.7 Ų64.770%0.69829%0.294SS*.Hα-helixtrans-57.6-40.2178.6-178.6179.3177.6-178.62.1112.3N3 Q9N3-R5 PolarHBondContact OD1-N 3.13Å; R5-Q9 VanDerWaalsContact O-CG 3.28Å; R5-Q9 WeakPolarHBondContact O-CG 3.29Å; R5-Q9 PolarHBondContact O-N 3.11Å; R5-Q9 VanDerWaalsContact O-N 3.09Å
6F98.1Very high96.8Very high5 Ų565.8 Ų65.82%0.02230%0.295CS..Hα-helixtrans-65.4-44.1177.2-177.6-93.2000111.4N3 E4 Q9 A10 I72 T73 G74 V77 F114 L116 V127N3-F6 HydrophobicContact CB-CB 3.87Å; N3-F6 VanDerWaalsContact CG-CB 3.43Å; N3-F6 PolarHBondContact O-N 3.4Å; N3-F6 WeakPolarHBondContact OD1-CB 3.34Å; N3-F6 PolarHBondContact OD1-N 3.03Å; E4-F6 VanDerWaalsContact C-N 3.26Å; E4-F6 PolarHBondContact O-N 3.17Å; F6-Q9 PolarHBondContact O-N 3.1Å; F6-A10 WeakPolarHBondContact O-CB 3.33Å; F6-A10 PolarHBondContact O-N 2.93Å; F6-I72 HydrophobicContact CE2-CG2 4.49Å; F6-T73 VanDerWaalsContact CE2-C 3.47Å; F6-G74 VanDerWaalsContact CE2-N 3.32Å; F6-V77 HydrophobicContact CE2-CG2 4.37Å; F6-V77 HydrophobicContact CZ-CG2 4.08Å; F6-F114 HydrophobicContact CD1-CB 4.18Å; F6-F114 HydrophobicContact CE1-CB 3.93Å; F6-L116 HydrophobicContact CD1-CB 4.15Å; F6-L116 HydrophobicContact CD2-CB 4.34Å; F6-L116 HydrophobicContact CD2-CD2 3.65Å; F6-L116 HydrophobicContact CE1-CB 4.17Å; F6-L116 HydrophobicContact CE2-CB 4.35Å; F6-L116 HydrophobicContact CE2-CD2 3.92Å; F6-L116 HydrophobicContact CG-CB 4.24Å; F6-L116 HydrophobicContact CG-CD2 4.16Å; F6-L116 HydrophobicContact CZ-CB 4.28Å; F6-V127 HydrophobicContact CE1-CG1 3.94Å; F6-V127 HydrophobicContact CZ-CG1 3.62Å; F6-V127 HydrophobicContact CZ-CG2 4.12Å
7N98.4Very high96.8Very high1 Ų162 Ų621%0.00528%0.278CS..Hα-helixtrans-62.1-44.6176-84.2-84.6000112N3 E4 Q9 A10 I11 L28 M33 F114N3-N7 PolarHBondContact O-N 3.45Å; N3-N7 VanDerWaalsContact O-N 3.12Å; N3-N7 PolarHBondContact O-ND2 3.42Å; E4-N7 WeakPolarHBondContact O-CB 3.23Å; E4-N7 PolarHBondContact O-N 3.12Å; N7-Q9 VanDerWaalsContact C-N 3.32Å; N7-Q9 PolarHBondContact O-N 2.98Å; N7-A10 PolarHBondContact O-N 3.12Å; N7-I11 WeakPolarHBondContact O-CG2 3.43Å; N7-I11 PolarHBondContact O-N 2.98Å; N7-L28 HydrophobicContact CB-CD1 4.09Å; N7-L28 HydrophobicContact CB-CD2 4.14Å; N7-M33 HydrophobicContact CB-CE 4.02Å; N7-M33 WeakPolarHBondContact OD1-CG 3.48Å; N7-F114 PolarHBondContact ND2-O 3.13Å; N7-F114 WeakPolarHBondContact OD1-CA 2.75Å; N7-F114 WeakPolarHBondContact OD1-CB 3.29Å; N7-F114 WeakPolarHBondContact OD1-CD2 3.27Å; N7-F114 PolarHBondContact OD1-N 2.87Å; N7-F114 PolarHBondContact OD1-O 2.93Å
8D98.3Very high96.9Very high80 Ų8058.6 Ų58.643%0.42826%0.263SS..Hα-helixtrans-62.1-37.6177.3-72.1-18.6000112.8E4 R12E4-D8 PolarHBondContact O-N 3.18Å; D8-R12 VanDerWaalsContact O-CB 3.31Å; D8-R12 WeakPolarHBondContact O-CB 3.49Å; D8-R12 WeakPolarHBondContact O-CG 3.27Å; D8-R12 PolarHBondContact O-N 3.25Å; D8-R12 PolarHBondContact O-NE 2.97Å
9Q98.2Very high96.9Very high31 Ų3158.8 Ų58.815%0.14527%0.272CS..Hα-helixtrans-69.3-46174.5-73.3173.4-20.800111.3R5 F6 N7 E13R5-Q9 VanDerWaalsContact O-CG 3.28Å; R5-Q9 WeakPolarHBondContact O-CG 3.29Å; R5-Q9 PolarHBondContact O-N 3.11Å; R5-Q9 VanDerWaalsContact O-N 3.09Å; F6-Q9 PolarHBondContact O-N 3.1Å; N7-Q9 VanDerWaalsContact C-N 3.32Å; N7-Q9 PolarHBondContact O-N 2.98Å; Q9-E13 PolarHBondContact O-N 3.49Å; Q9-E13 VanDerWaalsContact O-N 3.13Å
10A98.3Very high96.8Very high2 Ų256.1 Ų56.12%0.01726%0.26CS..Hα-helixtrans-63.2-49.9-179.300000111.5F6 N7 R12 E13 H14 S78 F114F6-A10 WeakPolarHBondContact O-CB 3.33Å; F6-A10 PolarHBondContact O-N 2.93Å; N7-A10 PolarHBondContact O-N 3.12Å; A10-R12 PolarHBondContact O-N 3.02Å; A10-E13 PolarHBondContact O-N 3.45Å; A10-H14 WeakPolarHBondContact O-CB 3.44Å; A10-H14 PolarHBondContact O-N 3.05Å; A10-H14 PolarHBondContact O-ND1 3.19Å; A10-S78 PolarHBondContact O-OG 2.84Å; A10-F114 HydrophobicContact CB-CB 4.45Å; A10-F114 HydrophobicContact CB-CD1 4.1Å; A10-F114 HydrophobicContact CB-CD2 3.55Å; A10-F114 HydrophobicContact CB-CE1 4.24Å; A10-F114 HydrophobicContact CB-CE2 3.69Å; A10-F114 HydrophobicContact CB-CG 3.77Å; A10-F114 HydrophobicContact CB-CZ 4.04Å
11I98.6Very high96.7Very high17 Ų1753.4 Ų53.49%0.08725%0.248CC..Hα-helixtrans-65.1-40.4-177.8-162.272.7000112.1N7 E13 H14 N15 L26 L28 A112 F114N7-I11 WeakPolarHBondContact O-CG2 3.43Å; N7-I11 PolarHBondContact O-N 2.98Å; I11-E13 PolarHBondContact O-N 2.76Å; I11-H14 PolarHBondContact O-N 3.28Å; I11-N15 WeakPolarHBondContact O-CB 3.43Å; I11-N15 PolarHBondContact O-N 2.84Å; I11-L26 HydrophobicContact CD1-CB 3.66Å; I11-L28 HydrophobicContact CB-CD1 4.25Å; I11-L28 HydrophobicContact CB-CD2 3.96Å; I11-L28 HydrophobicContact CB-CG 3.87Å; I11-L28 HydrophobicContact CD1-CD2 4.11Å; I11-L28 HydrophobicContact CD1-CG 4.2Å; I11-L28 HydrophobicContact CG1-CD2 4.22Å; I11-L28 HydrophobicContact CG1-CG 3.91Å; I11-L28 HydrophobicContact CG2-CD1 3.83Å; I11-L28 HydrophobicContact CG2-CD2 4.45Å; I11-L28 HydrophobicContact CG2-CG 3.96Å; I11-A112 HydrophobicContact CD1-CB 4.31Å; I11-F114 HydrophobicContact CB-CE2 4.27Å; I11-F114 HydrophobicContact CD1-CE2 4.17Å
12R98.3Very high97.3Very high165 Ų16545.6 Ų45.662%0.62322%0.218SC*.Hα-helixtrans-62-44.6177.2-77.4-175-62.7159.6-0.3111.3D8 A10 N15 R16D8-R12 VanDerWaalsContact O-CB 3.31Å; D8-R12 WeakPolarHBondContact O-CB 3.49Å; D8-R12 WeakPolarHBondContact O-CG 3.27Å; D8-R12 PolarHBondContact O-N 3.25Å; D8-R12 PolarHBondContact O-NE 2.97Å; A10-R12 PolarHBondContact O-N 3.02Å; R12-N15 PolarHBondContact O-N 3.44Å; R12-R16 WeakPolarHBondContact O-CB 3.2Å; R12-R16 PolarHBondContact O-N 3.28Å
13E98Very high97.3Very high12 Ų1243.8 Ų43.86%0.05621%0.209CC..Hα-helixtrans-71.6-38179.2-175.861.3178.400112.2Q9 A10 I11 N15 R16 L17 E75 Q79Q9-E13 PolarHBondContact O-N 3.49Å; Q9-E13 VanDerWaalsContact O-N 3.13Å; A10-E13 PolarHBondContact O-N 3.45Å; I11-E13 PolarHBondContact O-N 2.76Å; E13-N15 VanDerWaalsContact C-N 3.35Å; E13-N15 PolarHBondContact O-N 2.69Å; E13-R16 PolarHBondContact O-N 3.15Å; E13-R16 IonicContact OE1-CZ 3.29Å; E13-R16 IonicContact OE1-NE 3.66Å; E13-R16 PolarHBondContact OE1-NE 2.86Å; E13-R16 IonicContact OE1-NH2 3.64Å; E13-R16 PolarHBondContact OE1-NH2 3.02Å; E13-R16 IonicContact OE2-CZ 2.68Å; E13-R16 IonicContact OE2-NE 3.48Å; E13-R16 PolarHBondContact OE2-NE 2.94Å; E13-R16 IonicContact OE2-NH2 2.79Å; E13-L17 HydrophobicContact CG-CD1 3.86Å; E13-L17 HydrophobicContact CG-CG 4.41Å; E13-L17 WeakPolarHBondContact O-CB 3.4Å; E13-L17 WeakPolarHBondContact O-CD1 3.37Å; E13-L17 WeakPolarHBondContact O-CG 3.33Å; E13-L17 PolarHBondContact O-N 3.45Å; E13-E75 HydrophobicContact CB-CB 4.34Å; E13-E75 HydrophobicContact CB-CG 4.16Å; E13-E75 HydrophobicContact CG-CB 4.47Å; E13-E75 HydrophobicContact CG-CG 3.91Å; E13-Q79 HydrophobicContact CG-CG 4.08Å; E13-Q79 WeakPolarHBondContact OE1-CG 3.45Å; E13-Q79 PolarHBondContact OE1-NE2 3.38Å
14H98.1Very high97.4Very high0 Ų044.3 Ų44.30%022%0.216CC..Hα-helixtrans-56.6-48.4170.5-81.668.2000111.3A10 I11 L17 R18 L26 S78 W81 F114 Y131A10-H14 WeakPolarHBondContact O-CB 3.44Å; A10-H14 PolarHBondContact O-N 3.05Å; A10-H14 PolarHBondContact O-ND1 3.19Å; I11-H14 PolarHBondContact O-N 3.28Å; H14-L17 PolarHBondContact O-N 3.05Å; H14-R18 WeakPolarHBondContact O-CB 3.36Å; H14-R18 WeakPolarHBondContact O-CG 3.45Å; H14-R18 PolarHBondContact O-N 2.78Å; H14-L26 HydrophobicContact CB-CD1 4.5Å; H14-S78 PolarHBondContact CE1-OG 3.2Å; H14-S78 PolarHBondContact ND1-OG 3.13Å; H14-W81 AromaticContact CE1-CE3 3.91Å; H14-W81 AromaticContact CE1-CZ3 3.86Å; H14-W81 AromaticContact NE2-CE3 3.84Å; H14-W81 AromaticContact NE2-CZ3 3.91Å; H14-F114 AromaticContact CE1-CE1 3.4Å; H14-F114 VanDerWaalsContact CE1-CE1 3.4Å; H14-F114 WeakPolarHBondContact CE1-CE1 3.28Å; H14-F114 AromaticContact CE1-CZ 3.55Å; H14-F114 AromaticContact ND1-CZ 3.71Å; H14-F114 AromaticContact NE2-CE1 3.57Å; H14-F114 AromaticContact NE2-CZ 3.76Å; H14-Y131 AromaticContact NE2-CE1 4Å; H14-Y131 PolarHBondContact NE2-OH 3.32Å; H14-Y131 VanDerWaalsContact NE2-OH 3.14Å
15N98.4Very high97.5Very high20 Ų2044.3 Ų44.311%0.10722%0.216CC..Hα-helixtrans-67.3-38.8-178.3-72.6-13.5000112.1I11 R12 E13 L17 R18 S19 E25 L26I11-N15 WeakPolarHBondContact O-CB 3.43Å; I11-N15 PolarHBondContact O-N 2.84Å; R12-N15 PolarHBondContact O-N 3.44Å; E13-N15 VanDerWaalsContact C-N 3.35Å; E13-N15 PolarHBondContact O-N 2.69Å; N15-L17 PolarHBondContact O-N 3.19Å; N15-R18 PolarHBondContact O-N 3.16Å; N15-S19 WeakPolarHBondContact O-CB 3.38Å; N15-S19 PolarHBondContact O-N 3.48Å; N15-E25 HydrophobicContact CB-CB 4.45Å; N15-E25 HydrophobicContact CB-CG 4.17Å; N15-L26 PolarHBondContact ND2-O 3.13Å; N15-L26 PolarHBondContact OD1-N 2.93Å
16R97.3Very high97.5Very high83 Ų8335.8 Ų35.831%0.31318%0.184SC..Hα-helixtrans-57.5-49.8171-168.7-168.97181.2-2.8110.9R12 E13 S19 L204R12-R16 WeakPolarHBondContact O-CB 3.2Å; R12-R16 PolarHBondContact O-N 3.28Å; E13-R16 PolarHBondContact O-N 3.15Å; E13-R16 IonicContact OE1-CZ 3.29Å; E13-R16 IonicContact OE1-NE 3.66Å; E13-R16 PolarHBondContact OE1-NE 2.86Å; E13-R16 IonicContact OE1-NH2 3.64Å; E13-R16 PolarHBondContact OE1-NH2 3.02Å; E13-R16 IonicContact OE2-CZ 2.68Å; E13-R16 IonicContact OE2-NE 3.48Å; E13-R16 PolarHBondContact OE2-NE 2.94Å; E13-R16 IonicContact OE2-NH2 2.79Å; R16-S19 WeakPolarHBondContact O-CB 3.31Å; R16-S19 PolarHBondContact O-N 3.19Å; R16-S19 PolarHBondContact O-OG 3.23Å; R16-L204 PolarHBondContact NH1-O 3.37Å; R16-L204 PolarHBondContact NH2-O 3.04Å
17L96.7Very high97.5Very high1 Ų142.3 Ų42.31%0.00522%0.215CC..Hα-helixtrans-67.8-38-179.1-68.3167.1000112.5E13 H14 N15 S19 L20 H21 Y82 M104E13-L17 HydrophobicContact CG-CD1 3.86Å; E13-L17 HydrophobicContact CG-CG 4.41Å; E13-L17 WeakPolarHBondContact O-CB 3.4Å; E13-L17 WeakPolarHBondContact O-CD1 3.37Å; E13-L17 WeakPolarHBondContact O-CG 3.33Å; E13-L17 PolarHBondContact O-N 3.45Å; H14-L17 PolarHBondContact O-N 3.05Å; N15-L17 PolarHBondContact O-N 3.19Å; L17-S19 VanDerWaalsContact C-N 3.32Å; L17-S19 PolarHBondContact O-N 3.12Å; L17-L20 HydrophobicContact CD2-CD1 4.11Å; L17-L20 WeakPolarHBondContact O-CB 3.49Å; L17-L20 PolarHBondContact O-N 2.78Å; L17-H21 PolarHBondContact O-CD2 2.96Å; L17-Y82 HydrophobicContact CB-CD2 3.82Å; L17-Y82 HydrophobicContact CB-CE2 3.98Å; L17-Y82 HydrophobicContact CB-CG 4.37Å; L17-Y82 HydrophobicContact CD1-CD2 4.09Å; L17-Y82 HydrophobicContact CD1-CG 3.87Å; L17-Y82 HydrophobicContact CD2-CD1 3.75Å; L17-Y82 HydrophobicContact CD2-CD2 4.01Å; L17-Y82 HydrophobicContact CD2-CE1 3.86Å; L17-Y82 HydrophobicContact CD2-CE2 4.12Å; L17-Y82 HydrophobicContact CD2-CG 3.82Å; L17-Y82 HydrophobicContact CG-CD2 4.19Å; L17-Y82 HydrophobicContact CG-CG 4.24Å; L17-M104 HydrophobicContact CD1-CE 3.84Å
18R97.8Very high97.5Very high1 Ų145 Ų450%0.00423%0.229CC..Hα-helixtrans-62.8-36.8173.9-76.4175.368.289.1-5.3112.5H14 N15 L20 H21 G22 C23 P24 M104 I105 W106 T109H14-R18 WeakPolarHBondContact O-CB 3.36Å; H14-R18 WeakPolarHBondContact O-CG 3.45Å; H14-R18 PolarHBondContact O-N 2.78Å; N15-R18 PolarHBondContact O-N 3.16Å; R18-L20 PolarHBondContact O-N 2.94Å; R18-H21 PolarHBondContact O-N 3.22Å; R18-G22 PolarHBondContact O-N 2.92Å; R18-C23 HydrophobicContact CB-CB 4.02Å; R18-C23 HydrophobicContact CG-CB 4.39Å; R18-C23 PolarHBondContact O-N 3.17Å; R18-C23 VanDerWaalsContact O-N 3.07Å; R18-P24 PolarHBondContact NE-O 2.78Å; R18-P24 PolarHBondContact NH2-O 3.09Å; R18-M104 WeakPolarHBondContact CD-O 3.43Å; R18-M104 WeakPolarHBondContact CG-O 3.43Å; R18-M104 PolarHBondContact NH1-O 2.73Å; R18-I105 HydrophobicContact CG-CG2 4.39Å; R18-W106 PolarHBondContact NH1-O 3.29Å; R18-W106 PolarHBondContact NH2-O 3.49Å; R18-T109 PolarHBondContact NH2-O 2.87Å; R18-T109 VanDerWaalsContact NH2-O 3.13Å
19S96.7Very high97.5Very high63 Ų6342.2 Ų42.244%0.44121%0.214SC..Hα-helixtrans-60.4-32177.780.90000112.6N15 R16 L17 H21 G22N15-S19 WeakPolarHBondContact O-CB 3.38Å; N15-S19 PolarHBondContact O-N 3.48Å; R16-S19 WeakPolarHBondContact O-CB 3.31Å; R16-S19 PolarHBondContact O-N 3.19Å; R16-S19 PolarHBondContact O-OG 3.23Å; L17-S19 VanDerWaalsContact C-N 3.32Å; L17-S19 PolarHBondContact O-N 3.12Å; S19-H21 PolarHBondContact O-N 3.44Å; S19-G22 PolarHBondContact O-N 3.45Å; S19-G22 VanDerWaalsContact O-N 3.08Å
20L95.3Very high97.5Very high4 Ų447.4 Ų47.42%0.02124%0.238CC..THydrogen-bonded Turntrans-65.2-18176.8-57.3176.4000113.2L17 R18 Y147 Q148 I150 L204L17-L20 HydrophobicContact CD2-CD1 4.11Å; L17-L20 WeakPolarHBondContact O-CB 3.49Å; L17-L20 PolarHBondContact O-N 2.78Å; R18-L20 PolarHBondContact O-N 2.94Å; L20-Y147 HydrophobicContact CB-CD2 3.94Å; L20-Y147 HydrophobicContact CB-CE2 3.7Å; L20-Y147 HydrophobicContact CD1-CE2 4.1Å; L20-Y147 HydrophobicContact CD2-CE2 4.25Å; L20-Y147 HydrophobicContact CG-CE2 4.22Å; L20-Q148 PolarHBondContact O-N 3.12Å; L20-I150 HydrophobicContact CD2-CG1 3.69Å; L20-L204 HydrophobicContact CD1-CD2 3.89Å
21H95Very high97.4Very high0 Ų053.2 Ų53.20%027%0.269CS..THydrogen-bonded Turntrans-108.71.8178.6-69.7-92.5000112.4L17 R18 S19 C23 Y82 F101 I105 P145 Q148L17-H21 PolarHBondContact O-CD2 2.96Å; R18-H21 PolarHBondContact O-N 3.22Å; S19-H21 PolarHBondContact O-N 3.44Å; H21-C23 PolarHBondContact O-N 2.73Å; H21-Y82 AromaticContact CD2-CE2 3.87Å; H21-Y82 AromaticContact NE2-CE2 3.42Å; H21-Y82 WeakPolarHBondContact NE2-CE2 3.37Å; H21-Y82 AromaticContact NE2-CZ 3.46Å; H21-Y82 PolarHBondContact NE2-OH 2.98Å; H21-F101 AromaticContact CE1-CE2 3.94Å; H21-F101 AromaticContact CE1-CZ 3.7Å; H21-F101 AromaticContact NE2-CE2 3.79Å; H21-I105 HydrophobicContact CB-CD1 4.39Å; H21-I105 WeakPolarHBondContact ND1-CD1 3.24Å; H21-P145 HydrophobicContact CB-CG 4.17Å; H21-P145 PolarHBondContact ND1-O 3.47Å; H21-P145 WeakPolarHBondContact O-CG 3.45Å; H21-Q148 PolarHBondContact O-NE2 3.31Å
22G95Very high97.4Very high34 Ų3453 Ų5335%0.35127%0.268SS..THydrogen-bonded Turntrans68.121.7-174.500000113.8R18 S19R18-G22 PolarHBondContact O-N 2.92Å; S19-G22 PolarHBondContact O-N 3.45Å; S19-G22 VanDerWaalsContact O-N 3.08Å
23C97Very high97.4Very high9 Ų946.1 Ų46.16%0.06124%0.243CC..PPolyproline II helixtrans-83.2141.8176.7-66.80000110.8R18 H21 I105 P145R18-C23 HydrophobicContact CB-CB 4.02Å; R18-C23 HydrophobicContact CG-CB 4.39Å; R18-C23 PolarHBondContact O-N 3.17Å; R18-C23 VanDerWaalsContact O-N 3.07Å; H21-C23 PolarHBondContact O-N 2.73Å; C23-I105 PolarHBondContact SG-O 2.99Å; C23-P145 WeakPolarHBondContact SG-CG 3.22Å
24P97.6Very high97.3Very high74 Ų7449.5 Ų49.548%0.48126%0.261SS..PPolyproline II helixtrans-59152.7175.4-22.633.1000112.4R18R18-P24 PolarHBondContact NE-O 2.78Å; R18-P24 PolarHBondContact NH2-O 3.09Å
25E98.2Very high97.2Very high144 Ų14451 Ų5167%0.67327%0.271SS*.PPolyproline II helixtrans-64.4143.8176.2-64.4-172156.700112N15N15-E25 HydrophobicContact CB-CB 4.45Å; N15-E25 HydrophobicContact CB-CG 4.17Å
26L98.6Very high97.2Very high5 Ų550.1 Ų50.13%0.02627%0.266CS..PPolyproline II helixtrans-82.9144.6168.6-60.9176.8000109.8I11 H14 N15 T109 T110 A112 Y131I11-L26 HydrophobicContact CD1-CB 3.66Å; H14-L26 HydrophobicContact CB-CD1 4.5Å; N15-L26 PolarHBondContact ND2-O 3.13Å; N15-L26 PolarHBondContact OD1-N 2.93Å; L26-T109 HydrophobicContact CD2-CG2 3.74Å; L26-T109 WeakPolarHBondContact CD2-O 3.46Å; L26-T110 WeakPolarHBondContact CA-O 3.37Å; L26-A112 HydrophobicContact CD1-CB 4.02Å; L26-Y131 HydrophobicContact CD1-CD1 4.47Å
27Q98.5Very high97.2Very high142 Ų14246.7 Ų46.766%0.66425%0.254SS*.EExtended strand (participates in β ladder)trans-99.9142.5169.2-62.8178.37.300109.8T110 R111 A112Q27-T110 PolarHBondContact N-O 3.38Å; Q27-R111 CarbonylContact O-C 3.53Å; Q27-R111 VanDerWaalsContact O-CA 3.29Å; Q27-R111 WeakPolarHBondContact O-CA 3.36Å; Q27-A112 PolarHBondContact O-N 2.87Å
28L98.3Very high97.3Very high58 Ų5853.2 Ų53.230%0.30428%0.282SS..EExtended strand (participates in β ladder)trans-67.6137.5168.5-79.7174.5000109.7N7 I11 M33 A112 F114N7-L28 HydrophobicContact CB-CD1 4.09Å; N7-L28 HydrophobicContact CB-CD2 4.14Å; I11-L28 HydrophobicContact CB-CD1 4.25Å; I11-L28 HydrophobicContact CB-CD2 3.96Å; I11-L28 HydrophobicContact CB-CG 3.87Å; I11-L28 HydrophobicContact CD1-CD2 4.11Å; I11-L28 HydrophobicContact CD1-CG 4.2Å; I11-L28 HydrophobicContact CG1-CD2 4.22Å; I11-L28 HydrophobicContact CG1-CG 3.91Å; I11-L28 HydrophobicContact CG2-CD1 3.83Å; I11-L28 HydrophobicContact CG2-CD2 4.45Å; I11-L28 HydrophobicContact CG2-CG 3.96Å; L28-M33 HydrophobicContact CB-SD 4.11Å; L28-M33 HydrophobicContact CD1-SD 4.37Å; L28-M33 HydrophobicContact CD2-CG 4.43Å; L28-M33 HydrophobicContact CD2-SD 4.04Å; L28-M33 HydrophobicContact CG-SD 4.4Å; L28-A112 WeakPolarHBondContact CA-O 2.78Å; L28-F114 HydrophobicContact CD2-CD2 4.08Å; L28-F114 HydrophobicContact CD2-CE2 4.09Å
29D98.1Very high97.2Very high22 Ų2254.8 Ų54.812%0.11829%0.288CS..  trans-123.1123176.5-178.7-72.7000109.6D31 L32 M33 R111 A112D29-D31 PolarHBondContact O-N 2.54Å; D29-D31 WeakPolarHBondContact OD1-CB 3.47Å; D29-D31 PolarHBondContact OD1-N 3.2Å; D29-D31 VanDerWaalsContact OD1-N 3.09Å; D29-L32 HydrophobicContact CB-CB 4.12Å; D29-L32 HydrophobicContact CB-CD1 3.96Å; D29-L32 HydrophobicContact CB-CG 3.94Å; D29-L32 PolarHBondContact O-N 3.21Å; D29-L32 PolarHBondContact OD1-N 3.19Å; D29-M33 VanDerWaalsContact O-CG 3.27Å; D29-M33 WeakPolarHBondContact O-CG 3.2Å; D29-M33 PolarHBondContact O-N 3.33Å; D29-R111 HydrophobicContact CB-CB 4.04Å; D29-R111 HydrophobicContact CB-CG 4.49Å; D29-R111 VanDerWaalsContact OD2-CD 3.32Å; D29-R111 WeakPolarHBondContact OD2-CD 3.07Å; D29-R111 IonicContact OD2-CZ 3.41Å; D29-R111 IonicContact OD2-NE 3.72Å; D29-R111 IonicContact OD2-NH1 2.7Å; D29-R111 PolarHBondContact OD2-NH1 3.34Å; D29-A112 PolarHBondContact N-O 3.05Å
30E97.3Very high97.3Very high139 Ų13951.8 Ų51.865%0.6527%0.267SS*.Hα-helixtrans-64.1-38.6-172.5-170.3175.3-17800112.4L32 M33 I34E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 2.94Å; E30-M33 WeakPolarHBondContact O-CB 3.27Å; E30-M33 PolarHBondContact O-N 3.24Å; E30-I34 HydrophobicContact CG-CD1 4.15Å; E30-I34 VanDerWaalsContact O-CG1 3.31Å; E30-I34 WeakPolarHBondContact O-CG1 3.48Å; E30-I34 PolarHBondContact O-N 3.33Å
31D96.9Very high97.4Very high125 Ų12555.5 Ų55.567%0.66828%0.284SS*.Hα-helixtrans-65.1-40.5177.5-70.1-31.5000110.8D29 I34 S35D29-D31 PolarHBondContact O-N 2.54Å; D29-D31 WeakPolarHBondContact OD1-CB 3.47Å; D29-D31 PolarHBondContact OD1-N 3.2Å; D29-D31 VanDerWaalsContact OD1-N 3.09Å; D31-I34 PolarHBondContact O-N 3Å; D31-S35 VanDerWaalsContact O-CB 3.26Å; D31-S35 WeakPolarHBondContact O-CB 3.27Å; D31-S35 PolarHBondContact O-N 2.85Å
32L97.6Very high97.4Very high11 Ų1158.8 Ų58.86%0.05830%0.302CS..Hα-helixtrans-64.8-38.8173.8-63.8-173.6000111.9D29 E30 S35 A36 Y57 R111 R130 L132D29-L32 HydrophobicContact CB-CB 4.12Å; D29-L32 HydrophobicContact CB-CD1 3.96Å; D29-L32 HydrophobicContact CB-CG 3.94Å; D29-L32 PolarHBondContact O-N 3.21Å; D29-L32 PolarHBondContact OD1-N 3.19Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 2.94Å; L32-S35 PolarHBondContact O-N 3.14Å; L32-A36 WeakPolarHBondContact O-CB 3.32Å; L32-A36 PolarHBondContact O-N 3.11Å; L32-Y57 HydrophobicContact CD2-CD1 4.38Å; L32-R111 HydrophobicContact CD1-CB 4.13Å; L32-R130 HydrophobicContact CB-CB 4.09Å; L32-R130 HydrophobicContact CD2-CB 4.19Å; L32-L132 HydrophobicContact CD1-CB 3.98Å
33M98.2Very high97.5Very high22 Ų2257.2 Ų57.211%0.10829%0.286CS..Hα-helixtrans-63.6-47176.5-69.7168.154.600111.6I2 N7 L28 D29 E30 S35 A36 Q37I2-M33 HydrophobicContact CD1-CB 4.14Å; I2-M33 HydrophobicContact CG2-CB 4.15Å; I2-M33 HydrophobicContact CG2-CE 3.48Å; I2-M33 VanDerWaalsContact CG2-CE 3.48Å; N7-M33 HydrophobicContact CB-CE 4.02Å; N7-M33 WeakPolarHBondContact OD1-CG 3.48Å; L28-M33 HydrophobicContact CB-SD 4.11Å; L28-M33 HydrophobicContact CD1-SD 4.37Å; L28-M33 HydrophobicContact CD2-CG 4.43Å; L28-M33 HydrophobicContact CD2-SD 4.04Å; L28-M33 HydrophobicContact CG-SD 4.4Å; D29-M33 VanDerWaalsContact O-CG 3.27Å; D29-M33 WeakPolarHBondContact O-CG 3.2Å; D29-M33 PolarHBondContact O-N 3.33Å; E30-M33 WeakPolarHBondContact O-CB 3.27Å; E30-M33 PolarHBondContact O-N 3.24Å; M33-S35 PolarHBondContact O-N 2.88Å; M33-A36 PolarHBondContact O-N 3.5Å; M33-Q37 VanDerWaalsContact O-CB 3.27Å; M33-Q37 WeakPolarHBondContact O-CB 3.48Å; M33-Q37 PolarHBondContact O-N 3.49Å
34I97.5Very high97.4Very high83 Ų8357.1 Ų57.143%0.42629%0.286SS..Hα-helixtrans-59.9-47.8176.3-67.7165.7000110.3I2 E30 D31 Q37 K38I2-I34 HydrophobicContact CD1-CG1 3.53Å; I2-I34 HydrophobicContact CG1-CG1 4.32Å; E30-I34 HydrophobicContact CG-CD1 4.15Å; E30-I34 VanDerWaalsContact O-CG1 3.31Å; E30-I34 WeakPolarHBondContact O-CG1 3.48Å; E30-I34 PolarHBondContact O-N 3.33Å; D31-I34 PolarHBondContact O-N 3Å; I34-Q37 PolarHBondContact O-N 2.96Å; I34-K38 WeakPolarHBondContact O-CB 3.43Å; I34-K38 PolarHBondContact O-N 2.95Å
35S96.3Very high97.4Very high32 Ų3257.8 Ų57.822%0.22430%0.298CS..Hα-helixtrans-61.9-46.7179.7178.90000112.3D31 L32 M33 K38 W39D31-S35 VanDerWaalsContact O-CB 3.26Å; D31-S35 WeakPolarHBondContact O-CB 3.27Å; D31-S35 PolarHBondContact O-N 2.85Å; L32-S35 PolarHBondContact O-N 3.14Å; M33-S35 PolarHBondContact O-N 2.88Å; S35-K38 PolarHBondContact O-N 2.76Å; S35-W39 PolarHBondContact O-N 3.28Å; S35-W39 VanDerWaalsContact O-N 3.07Å
36A97.6Very high97.2Very high0 Ų053.1 Ų53.10%028%0.283CS..Hα-helixtrans-62.2-44.7177.600000111.6L32 M33 W39 A40 V128 R130L32-A36 WeakPolarHBondContact O-CB 3.32Å; L32-A36 PolarHBondContact O-N 3.11Å; M33-A36 PolarHBondContact O-N 3.5Å; A36-W39 PolarHBondContact O-N 3.26Å; A36-A40 PolarHBondContact O-N 2.99Å; A36-V128 HydrophobicContact CB-CB 4.28Å; A36-V128 HydrophobicContact CB-CG1 4.18Å; A36-R130 HydrophobicContact CB-CB 4.44Å; A36-R130 HydrophobicContact CB-CG 3.7Å
37Q98.2Very high96.9Very high12 Ų1257.3 Ų57.36%0.05630%0.303CS..Hα-helixtrans-62.5-45.7179.2-17659.640.700111.7M1 M33 I34 W39 A40 E41 L116M1-Q37 WeakPolarHBondContact O-CG 3.33Å; M33-Q37 VanDerWaalsContact O-CB 3.27Å; M33-Q37 WeakPolarHBondContact O-CB 3.48Å; M33-Q37 PolarHBondContact O-N 3.49Å; I34-Q37 PolarHBondContact O-N 2.96Å; Q37-W39 VanDerWaalsContact C-N 3.27Å; Q37-W39 PolarHBondContact O-N 2.75Å; Q37-A40 PolarHBondContact O-N 2.81Å; Q37-E41 WeakPolarHBondContact CG-OE1 3.5Å; Q37-E41 PolarHBondContact NE2-OE1 3.01Å; Q37-E41 WeakPolarHBondContact O-CG 3.49Å; Q37-E41 PolarHBondContact O-N 2.88Å; Q37-L116 PolarHBondContact NE2-O 3.06Å; Q37-L116 PolarHBondContact OE1-O 3.32Å
38K97.1Very high96.4Very high137 Ų13753.1 Ų53.160%0.59628%0.282SS*.Hα-helixtrans-59.7-39.9176-175.6177.8-178.9179.80111.7I34 S35 N42I34-K38 WeakPolarHBondContact O-CB 3.43Å; I34-K38 PolarHBondContact O-N 2.95Å; S35-K38 PolarHBondContact O-N 2.76Å; K38-N42 VanDerWaalsContact O-CG 3.25Å; K38-N42 PolarHBondContact O-N 2.94Å; K38-N42 VanDerWaalsContact O-N 3.07Å; K38-N42 PolarHBondContact O-ND2 3.45Å
39W96.8Very high96Very high34 Ų3451.2 Ų51.213%0.12927%0.272CS..Hα-helixtrans-70-42177.4-164.7-117.4000112.1S35 A36 Q37 E41 N42 L43 Y50 E59 V128S35-W39 PolarHBondContact O-N 3.28Å; S35-W39 VanDerWaalsContact O-N 3.07Å; A36-W39 PolarHBondContact O-N 3.26Å; Q37-W39 VanDerWaalsContact C-N 3.27Å; Q37-W39 PolarHBondContact O-N 2.75Å; W39-E41 VanDerWaalsContact C-N 3.29Å; W39-E41 PolarHBondContact O-N 3.29Å; W39-N42 HydrophobicContact CE3-CB 4.2Å; W39-N42 HydrophobicContact CZ3-CB 4.45Å; W39-N42 WeakPolarHBondContact O-CB 3.45Å; W39-N42 PolarHBondContact O-N 2.96Å; W39-N42 VanDerWaalsContact O-N 3.1Å; W39-L43 HydrophobicContact CZ2-CD2 4.27Å; W39-L43 WeakPolarHBondContact O-CG 3.05Å; W39-L43 PolarHBondContact O-N 2.84Å; W39-Y50 AromaticContact CH2-CE2 3.68Å; W39-Y50 HydrophobicContact CH2-CE2 3.68Å; W39-Y50 AromaticContact CZ2-CD2 3.92Å; W39-Y50 HydrophobicContact CZ2-CD2 3.92Å; W39-Y50 AromaticContact CZ2-CE2 3.47Å; W39-Y50 HydrophobicContact CZ2-CE2 3.47Å; W39-Y50 VanDerWaalsContact CZ2-CE2 3.47Å; W39-Y50 PolarHBondContact NE1-O 3.33Å; W39-E59 PolarHBondContact NE1-OE2 2.67Å; W39-V128 HydrophobicContact CB-CG1 4.41Å; W39-V128 HydrophobicContact CB-CG2 4.2Å; W39-V128 HydrophobicContact CG-CG2 4.32Å
40A97.3Very high95.6Very high0 Ų054.5 Ų54.50%028%0.284CS..Hα-helixtrans-57.1-44.3174.600000111.5A36 Q37 N42 L43 A44 A117 V128A36-A40 PolarHBondContact O-N 2.99Å; Q37-A40 PolarHBondContact O-N 2.81Å; A40-N42 VanDerWaalsContact C-N 3.35Å; A40-N42 PolarHBondContact O-N 3.03Å; A40-L43 PolarHBondContact O-N 3.28Å; A40-A44 WeakPolarHBondContact O-CB 3.47Å; A40-A44 PolarHBondContact O-N 3.17Å; A40-A117 VanDerWaalsContact C-CB 3.42Å; A40-A117 HydrophobicContact CB-CB 3.95Å; A40-A117 WeakPolarHBondContact O-CB 3.19Å; A40-V128 HydrophobicContact CB-CG2 3.89Å
41E97.7Very high95.2Very high82 Ų8248.5 Ų48.538%0.38326%0.256SS..Hα-helixtrans-61-40.9175.3-71.2168-174.300111.9M1 Q37 W39 A44 A45 A117M1-E41 PolarHBondContact N-OE1 3.41Å; Q37-E41 WeakPolarHBondContact CG-OE1 3.5Å; Q37-E41 PolarHBondContact NE2-OE1 3.01Å; Q37-E41 WeakPolarHBondContact O-CG 3.49Å; Q37-E41 PolarHBondContact O-N 2.88Å; W39-E41 VanDerWaalsContact C-N 3.29Å; W39-E41 PolarHBondContact O-N 3.29Å; E41-A44 PolarHBondContact O-N 3.5Å; E41-A45 WeakPolarHBondContact O-CB 3.22Å; E41-A45 PolarHBondContact O-N 3.47Å; E41-A117 HydrophobicContact CB-CB 4.48Å; E41-A117 HydrophobicContact CG-CB 4.05Å
42N96.5Very high94.8Very high70 Ų7042.7 Ų42.737%0.37423%0.225SC..Hα-helixtrans-63.2-44.2174.2-70.1-18.2000112.4K38 W39 A40 A44 A45 A46K38-N42 VanDerWaalsContact O-CG 3.25Å; K38-N42 PolarHBondContact O-N 2.94Å; K38-N42 VanDerWaalsContact O-N 3.07Å; K38-N42 PolarHBondContact O-ND2 3.45Å; W39-N42 HydrophobicContact CE3-CB 4.2Å; W39-N42 HydrophobicContact CZ3-CB 4.45Å; W39-N42 WeakPolarHBondContact O-CB 3.45Å; W39-N42 PolarHBondContact O-N 2.96Å; W39-N42 VanDerWaalsContact O-N 3.1Å; A40-N42 VanDerWaalsContact C-N 3.35Å; A40-N42 PolarHBondContact O-N 3.03Å; N42-A44 VanDerWaalsContact C-N 3.34Å; N42-A45 PolarHBondContact O-N 2.9Å; N42-A46 WeakPolarHBondContact O-CB 3.04Å; N42-A46 PolarHBondContact O-N 3.33Å
43L95.8Very high94.3Very high0 Ų049.2 Ų49.20%026%0.26CS..Hα-helixtrans-63.7-41178.6-64.8172.6000111.3W39 A40 A46 E47 K48 L49 Y50 L61 Y126 V128W39-L43 HydrophobicContact CZ2-CD2 4.27Å; W39-L43 WeakPolarHBondContact O-CG 3.05Å; W39-L43 PolarHBondContact O-N 2.84Å; A40-L43 PolarHBondContact O-N 3.28Å; L43-A46 PolarHBondContact O-N 2.93Å; L43-E47 WeakPolarHBondContact O-CA 3.36Å; L43-E47 PolarHBondContact O-N 3.45Å; L43-K48 WeakPolarHBondContact CB-O 3.47Å; L43-K48 WeakPolarHBondContact CD2-O 3.43Å; L43-K48 PolarHBondContact O-N 3.27Å; L43-L49 HydrophobicContact CD1-CD1 4.14Å; L43-Y50 HydrophobicContact CD2-CD1 3.85Å; L43-Y50 HydrophobicContact CD2-CE1 3.81Å; L43-Y50 HydrophobicContact CD2-CG 4.28Å; L43-Y50 WeakPolarHBondContact CD2-O 3.48Å; L43-L61 HydrophobicContact CD1-CD2 4Å; L43-Y126 HydrophobicContact CB-CD1 3.74Å; L43-Y126 HydrophobicContact CB-CE1 4.49Å; L43-Y126 HydrophobicContact CB-CG 4.14Å; L43-V128 HydrophobicContact CD1-CG2 3.68Å
44A96.2Very high93.4Very high8 Ų855.1 Ų55.17%0.06628%0.282CS..Hα-helixtrans-65.4-41.6175.400000112.4A40 E41 N42 E47 A117 Y126A40-A44 WeakPolarHBondContact O-CB 3.47Å; A40-A44 PolarHBondContact O-N 3.17Å; E41-A44 PolarHBondContact O-N 3.5Å; N42-A44 VanDerWaalsContact C-N 3.34Å; A44-E47 PolarHBondContact O-N 3.24Å; A44-A117 HydrophobicContact CB-CB 3.77Å; A44-Y126 HydrophobicContact CB-CD2 3.67Å; A44-Y126 HydrophobicContact CB-CE2 4.17Å; A44-Y126 HydrophobicContact CB-CG 4.25Å
45A96.1Very high92.4Very high88 Ų8855.1 Ų55.173%0.72728%0.283SS*.Hα-helixtrans-68.4-36.7176.900000112.9E41 N42 E47E41-A45 WeakPolarHBondContact O-CB 3.22Å; E41-A45 PolarHBondContact O-N 3.47Å; N42-A45 PolarHBondContact O-N 2.9Å; A45-E47 VanDerWaalsContact C-N 3.27Å
46A94.4Very high92Very high45 Ų4559.6 Ų59.637%0.37230%0.304SS..Hα-helixtrans-77.8-13.8175.300000113.1N42 L43 K48 Y50N42-A46 WeakPolarHBondContact O-CB 3.04Å; N42-A46 PolarHBondContact O-N 3.33Å; L43-A46 PolarHBondContact O-N 2.93Å; A46-K48 HydrophobicContact CB-CB 4.39Å; A46-K48 WeakPolarHBondContact O-CG 3.33Å; A46-K48 PolarHBondContact O-N 3.49Å; A46-Y50 HydrophobicContact CB-CE1 4.47Å
47E92.1Very high91.7Very high93 Ų9361.5 Ų61.544%0.43531%0.312SS..THydrogen-bonded Turntrans4931.1-167.2-60.3-154.2129.500114.5L43 A44 A45 K124 Y126L43-E47 WeakPolarHBondContact O-CA 3.36Å; L43-E47 PolarHBondContact O-N 3.45Å; A44-E47 PolarHBondContact O-N 3.24Å; A45-E47 VanDerWaalsContact C-N 3.27Å; E47-K124 IonicContact OE1-NZ 2.94Å; E47-K124 PolarHBondContact OE1-NZ 3.35Å; E47-K124 IonicContact OE2-NZ 3.02Å; E47-K124 PolarHBondContact OE2-NZ 3.34Å; E47-Y126 VanDerWaalsContact C-OH 3.27Å; E47-Y126 VanDerWaalsContact CA-OH 3.24Å; E47-Y126 WeakPolarHBondContact CA-OH 3.5Å; E47-Y126 PolarHBondContact O-OH 3.37Å
48K89.1Confident91.5Very high55 Ų5561 Ų6124%0.23931%0.31CS..  trans-129.7143.3-176.9-71.6-179.9178.3-164.50109.8L43 A46 Y50 D256 H258L43-K48 WeakPolarHBondContact CB-O 3.47Å; L43-K48 WeakPolarHBondContact CD2-O 3.43Å; L43-K48 PolarHBondContact O-N 3.27Å; A46-K48 HydrophobicContact CB-CB 4.39Å; A46-K48 WeakPolarHBondContact O-CG 3.33Å; A46-K48 PolarHBondContact O-N 3.49Å; K48-Y50 HydrophobicContact CB-CD1 3.82Å; K48-Y50 HydrophobicContact CB-CE1 3.87Å; K48-D256 IonicContact NZ-OD1 3.82Å; K48-H258 VanDerWaalsContact CE-CE1 3.44Å; K48-H258 WeakPolarHBondContact CE-CE1 3.26Å; K48-H258 PolarHBondContact NZ-NE2 2.98Å; K48-H258 VanDerWaalsContact NZ-NE2 3.19Å
49L88.9Confident91.4Very high17 Ų1755.7 Ų55.79%0.08929%0.287CS..  trans-103.8118.2173.8-160.177.3000108.7L43 L61 F63 Y126 L300 F302L43-L49 HydrophobicContact CD1-CD1 4.14Å; L49-L61 HydrophobicContact CD1-CB 4.26Å; L49-L61 HydrophobicContact CD2-CB 4.24Å; L49-L61 HydrophobicContact CG-CB 4.27Å; L49-L61 HydrophobicContact CG-CD1 4.21Å; L49-F63 HydrophobicContact CD1-CB 4.22Å; L49-F63 HydrophobicContact CD2-CB 3.81Å; L49-Y126 HydrophobicContact CD1-CD1 3.87Å; L49-L300 HydrophobicContact CB-CD1 4.06Å; L49-L300 HydrophobicContact CD2-CB 4.01Å; L49-L300 HydrophobicContact CD2-CD1 3.67Å; L49-L300 HydrophobicContact CD2-CG 3.96Å; L49-L300 HydrophobicContact CG-CD1 4.42Å; L49-F302 HydrophobicContact CB-CE2 4.32Å; L49-F302 HydrophobicContact CD2-CE2 4.42Å; L49-F302 HydrophobicContact CG-CE2 4.41Å; L49-F302 WeakPolarHBondContact O-CE2 3.32Å; L49-F302 WeakPolarHBondContact O-CZ 3.29Å
50Y90.4Very high91.4Very high91 Ų9154.1 Ų54.136%0.35728%0.281SS..  trans-159.1154.8176.658.2-82.5000109.7W39 L43 A46 K48 L61W39-Y50 AromaticContact CH2-CE2 3.68Å; W39-Y50 HydrophobicContact CH2-CE2 3.68Å; W39-Y50 AromaticContact CZ2-CD2 3.92Å; W39-Y50 HydrophobicContact CZ2-CD2 3.92Å; W39-Y50 AromaticContact CZ2-CE2 3.47Å; W39-Y50 HydrophobicContact CZ2-CE2 3.47Å; W39-Y50 VanDerWaalsContact CZ2-CE2 3.47Å; W39-Y50 PolarHBondContact NE1-O 3.33Å; L43-Y50 HydrophobicContact CD2-CD1 3.85Å; L43-Y50 HydrophobicContact CD2-CE1 3.81Å; L43-Y50 HydrophobicContact CD2-CG 4.28Å; L43-Y50 WeakPolarHBondContact CD2-O 3.48Å; A46-Y50 HydrophobicContact CB-CE1 4.47Å; K48-Y50 HydrophobicContact CB-CD1 3.82Å; K48-Y50 HydrophobicContact CB-CE1 3.87Å; Y50-L61 VanDerWaalsContact C-CD1 3.42Å; Y50-L61 VanDerWaalsContact O-CD1 3.3Å; Y50-L61 WeakPolarHBondContact O-CD1 3.35Å
51H88.4Confident91.3Very high14 Ų1454.1 Ų54.17%0.06528%0.281CS..  trans-67.2149.8178.5-79.1-61.4000112E59 F302H51-E59 WeakPolarHBondContact CA-OE1 3.4Å; H51-E59 VanDerWaalsContact CB-OE1 3.27Å; H51-E59 WeakPolarHBondContact CB-OE1 3.38Å; H51-E59 PolarHBondContact CE1-O 3.04Å; H51-E59 IonicContact CE1-OE1 3.72Å; H51-E59 IonicContact CG-OE1 2.7Å; H51-E59 IonicContact ND1-OE1 3.7Å; H51-E59 PolarHBondContact ND1-OE1 3.3Å; H51-F302 PolarHBondContact CD2-O 2.97Å; H51-F302 PolarHBondContact NE2-O 3.27Å
52S89.7Confident91.2Very high2 Ų250.2 Ų50.21%0.01426%0.263CS..  trans-69.2154.4169.369.60000111.3Y54 E59 R130S52-Y54 PolarHBondContact O-N 3.22Å; S52-Y54 VanDerWaalsContact O-N 3.17Å; S52-E59 PolarHBondContact N-OE1 3.08Å; S52-E59 PolarHBondContact OG-OE2 2.96Å; S52-R130 VanDerWaalsContact CB-NH2 3.3Å; S52-R130 PolarHBondContact OG-NH1 3.07Å; S52-R130 PolarHBondContact OG-NH2 2.9Å; S52-R130 VanDerWaalsContact OG-NH2 3.07Å
53N85.3Confident90.9Very high148 Ų14847.2 Ų47.279%0.79125%0.246SC*.SBendtrans-75.94.6176.9-63.6-20.2000114.2
54Y79.2Confident90.7Very high147 Ų14747.9 Ų47.958%0.57625%0.249SC*.  trans-94.7124.7-175.6-66.7-77.5000111.1S52 Y57S52-Y54 PolarHBondContact O-N 3.22Å; S52-Y54 VanDerWaalsContact O-N 3.17Å; Y54-Y57 VanDerWaalsContact CB-CE2 3.46Å; Y54-Y57 WeakPolarHBondContact CB-OH 3.49Å; Y54-Y57 WeakPolarHBondContact CD2-OH 3.33Å; Y54-Y57 HydrophobicContact CG-CE2 4.45Å; Y54-Y57 AromaticContact CG-CZ 3.99Å; Y54-Y57 VanDerWaalsContact CG-OH 3.26Å
55N78.2Confident90.5Very high83 Ų8351.3 Ų51.344%0.44427%0.265SS..  trans-104.60.8-173.4-68.8-25.9000114.8Y57 K137N55-Y57 PolarHBondContact O-N 2.63Å; N55-K137 PolarHBondContact O-NZ 2.62Å
56D87.2Confident90Very high126 Ų12648.1 Ų48.167%0.67424%0.238SC*.SBendtrans-73.4-17178.2-57.9-29000112.3L132D56-L132 VanDerWaalsContact O-CD1 3.29Å; D56-L132 WeakPolarHBondContact O-CD1 3.49Å
57Y91.6Very high89.6Confident40 Ų4051.4 Ų51.416%0.15727%0.265CS..SBendtrans-92.9146.8175.962.3-117.8000122.6L32 Y54 N55 R130 Y131 V134L32-Y57 HydrophobicContact CD2-CD1 4.38Å; Y54-Y57 VanDerWaalsContact CB-CE2 3.46Å; Y54-Y57 WeakPolarHBondContact CB-OH 3.49Å; Y54-Y57 WeakPolarHBondContact CD2-OH 3.33Å; Y54-Y57 HydrophobicContact CG-CE2 4.45Å; Y54-Y57 AromaticContact CG-CZ 3.99Å; Y54-Y57 VanDerWaalsContact CG-OH 3.26Å; N55-Y57 PolarHBondContact O-N 2.63Å; Y57-R130 VanDerWaalsContact CD2-CZ 3.5Å; Y57-R130 VanDerWaalsContact CE2-NE 3.26Å; Y57-R130 VanDerWaalsContact CZ-CZ 3.48Å; Y57-Y131 WeakPolarHBondContact CB-O 3.37Å; Y57-V134 VanDerWaalsContact O-CG2 3.25Å; Y57-V134 WeakPolarHBondContact O-CG2 3.46Å
58G94.4Very high89.3Confident2 Ų250.5 Ų50.52%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-77.3148.7141.300000111Q103 R130 Y131G58-Q103 VanDerWaalsContact CA-OE1 3.31Å; G58-R130 WeakPolarHBondContact O-CA 3.39Å; G58-Y131 PolarHBondContact N-O 2.93Å; G58-Y131 PolarHBondContact O-N 2.81Å
59E95.1Very high89.4Confident24 Ų2451.9 Ų51.911%0.11228%0.283CS..EExtended strand (participates in β ladder)trans-137.8129.2174.7-170.3175.850.800111.9W39 H51 S52 L61 V128 G129 R130W39-E59 PolarHBondContact NE1-OE2 2.67Å; H51-E59 WeakPolarHBondContact CA-OE1 3.4Å; H51-E59 VanDerWaalsContact CB-OE1 3.27Å; H51-E59 WeakPolarHBondContact CB-OE1 3.38Å; H51-E59 PolarHBondContact CE1-O 3.04Å; H51-E59 IonicContact CE1-OE1 3.72Å; H51-E59 IonicContact CG-OE1 2.7Å; H51-E59 IonicContact ND1-OE1 3.7Å; H51-E59 PolarHBondContact ND1-OE1 3.3Å; S52-E59 PolarHBondContact N-OE1 3.08Å; S52-E59 PolarHBondContact OG-OE2 2.96Å; E59-L61 HydrophobicContact CG-CD2 3.93Å; E59-L61 HydrophobicContact CG-CG 4.3Å; E59-V128 HydrophobicContact CG-CG1 4.15Å; E59-G129 CarbonylContact C-O 3.54Å; E59-G129 VanDerWaalsContact CA-O 3.28Å; E59-G129 WeakPolarHBondContact CA-O 3.45Å; E59-R130 VanDerWaalsContact CG-NH1 3.32Å; E59-R130 IonicContact OE1-NH1 2.77Å; E59-R130 IonicContact OE2-CZ 2.84Å; E59-R130 IonicContact OE2-NH1 2.73Å; E59-R130 PolarHBondContact OE2-NH1 3.18Å; E59-R130 IonicContact OE2-NH2 3.43Å; E59-R130 PolarHBondContact OE2-NH2 3.38Å
60N96.1Very high89.5Confident2 Ų251.6 Ų51.61%0.01128%0.282CS..EExtended strand (participates in β ladder)trans-115.7141.7165.7-762.4000109.2W81 H100 V128 G129 Y131N60-W81 HydrophobicContact CB-CD2 3.88Å; N60-W81 HydrophobicContact CB-CE3 4.07Å; N60-W81 HydrophobicContact CB-CH2 3.82Å; N60-W81 HydrophobicContact CB-CZ2 3.59Å; N60-W81 HydrophobicContact CB-CZ3 4.04Å; N60-H100 WeakPolarHBondContact ND2-CA 3.44Å; N60-H100 PolarHBondContact ND2-O 2.68Å; N60-V128 CarbonylContact O-C 3.57Å; N60-V128 WeakPolarHBondContact O-CA 3.42Å; N60-G129 PolarHBondContact N-O 3.14Å; N60-G129 PolarHBondContact O-N 3.1Å; N60-Y131 HydrophobicContact CB-CE2 3.78Å; N60-Y131 PolarHBondContact ND2-OH 3.42Å
61L95.3Very high89.5Confident0 Ų054.9 Ų54.90%030%0.301CS..EExtended strand (participates in β ladder)trans-121.1146.5177.5-59.7-179.9000110.4L43 L49 Y50 E59 W81 H100 V127 V128L43-L61 HydrophobicContact CD1-CD2 4Å; L49-L61 HydrophobicContact CD1-CB 4.26Å; L49-L61 HydrophobicContact CD2-CB 4.24Å; L49-L61 HydrophobicContact CG-CB 4.27Å; L49-L61 HydrophobicContact CG-CD1 4.21Å; Y50-L61 VanDerWaalsContact C-CD1 3.42Å; Y50-L61 VanDerWaalsContact O-CD1 3.3Å; Y50-L61 WeakPolarHBondContact O-CD1 3.35Å; E59-L61 HydrophobicContact CG-CD2 3.93Å; E59-L61 HydrophobicContact CG-CG 4.3Å; L61-W81 PolarHBondContact O-NE1 3.19Å; L61-H100 PolarHBondContact O-NE2 3.07Å; L61-V127 WeakPolarHBondContact CA-O 3.37Å; L61-V128 HydrophobicContact CD2-CB 4.21Å; L61-V128 HydrophobicContact CD2-CG1 4.06Å; L61-V128 HydrophobicContact CD2-CG2 3.74Å
62A94.2Very high89.8Confident0 Ų054.9 Ų54.90%030%0.302CS..EExtended strand (participates in β ladder)trans-139.4151.8167.400000110.8V77 W81 V127 V297A62-V77 HydrophobicContact CB-CG1 4.04Å; A62-W81 HydrophobicContact CB-CZ2 4.09Å; A62-V127 HydrophobicContact CB-CB 4.12Å; A62-V127 PolarHBondContact N-O 3.44Å; A62-V127 PolarHBondContact O-N 3.44Å; A62-V297 HydrophobicContact CB-CG1 4.02Å
63F92Very high90.1Very high6 Ų656.9 Ų56.93%0.02631%0.313CS..EExtended strand (participates in β ladder)trans-134.5138178.4176.2-100.3000110.1L49 M65 K124 A125 Y126 V297 I298L49-F63 HydrophobicContact CD1-CB 4.22Å; L49-F63 HydrophobicContact CD2-CB 3.81Å; F63-M65 HydrophobicContact CE1-CB 3.97Å; F63-M65 HydrophobicContact CE1-CE 3.8Å; F63-M65 HydrophobicContact CZ-CB 4.21Å; F63-M65 HydrophobicContact CZ-CE 3.71Å; F63-K124 HydrophobicContact CE2-CB 3.7Å; F63-K124 HydrophobicContact CE2-CD 4.11Å; F63-K124 HydrophobicContact CE2-CG 4.05Å; F63-K124 HydrophobicContact CZ-CB 3.97Å; F63-K124 HydrophobicContact CZ-CD 3.99Å; F63-K124 HydrophobicContact CZ-CG 3.84Å; F63-A125 VanDerWaalsContact CA-O 3.32Å; F63-A125 WeakPolarHBondContact CA-O 3.39Å; F63-A125 WeakPolarHBondContact CD2-O 3.48Å; F63-Y126 AromaticContact CD2-CD1 3.85Å; F63-Y126 HydrophobicContact CD2-CD1 3.85Å; F63-Y126 AromaticContact CD2-CE1 3.61Å; F63-Y126 HydrophobicContact CD2-CE1 3.61Å; F63-Y126 HydrophobicContact CD2-CE2 4.35Å; F63-Y126 HydrophobicContact CD2-CG 4.32Å; F63-Y126 AromaticContact CD2-CZ 3.89Å; F63-Y126 HydrophobicContact CE2-CD1 4.3Å; F63-Y126 AromaticContact CE2-CE1 3.67Å; F63-Y126 HydrophobicContact CE2-CE1 3.67Å; F63-Y126 AromaticContact CE2-CE2 3.95Å; F63-Y126 HydrophobicContact CE2-CE2 3.95Å; F63-Y126 AromaticContact CE2-CZ 3.47Å; F63-Y126 VanDerWaalsContact CE2-CZ 3.47Å; F63-V297 CarbonylContact O-C 3.5Å; F63-V297 VanDerWaalsContact O-CA 3.28Å; F63-V297 WeakPolarHBondContact O-CA 3.43Å; F63-I298 HydrophobicContact CD1-CB 4.37Å; F63-I298 HydrophobicContact CD1-CD1 4.27Å; F63-I298 PolarHBondContact N-O 3.25Å; F63-I298 PolarHBondContact O-N 2.72Å
64K91.5Very high90.6Very high14 Ų1449.8 Ų49.86%0.06128%0.276CS..EExtended strand (participates in β ladder)trans-136131.6174.9-169.9-177.6-170.41750109.6Q71 I72 E76 K124 A125 P295 V297K64-Q71 WeakPolarHBondContact CE-O 3.29Å; K64-Q71 PolarHBondContact NZ-O 3.46Å; K64-I72 HydrophobicContact CB-CD1 3.96Å; K64-I72 HydrophobicContact CD-CB 3.97Å; K64-I72 HydrophobicContact CD-CD1 3.9Å; K64-I72 HydrophobicContact CD-CG1 4Å; K64-E76 IonicContact NZ-OE1 3.01Å; K64-E76 IonicContact NZ-OE2 2.8Å; K64-E76 PolarHBondContact NZ-OE2 3.21Å; K64-K124 CarbonylContact O-C 3.57Å; K64-K124 VanDerWaalsContact O-CA 3.31Å; K64-K124 WeakPolarHBondContact O-CA 3.33Å; K64-A125 HydrophobicContact CB-CB 4.35Å; K64-A125 PolarHBondContact N-O 2.91Å; K64-A125 PolarHBondContact O-N 2.99Å; K64-P295 HydrophobicContact CD-CB 4.47Å; K64-P295 WeakPolarHBondContact CE-O 3.26Å; K64-P295 HydrophobicContact CG-CB 4.23Å; K64-V297 HydrophobicContact CB-CG2 4.11Å; K64-V297 HydrophobicContact CD-CG2 3.8Å; K64-V297 HydrophobicContact CG-CG2 3.91Å
65M90.5Very high91.4Very high80 Ų8047.1 Ų47.139%0.39427%0.269SS..EExtended strand (participates in β ladder)trans-114.2144.8174.6-168.8-177-56.100110F63 T123 K124 P295F63-M65 HydrophobicContact CE1-CB 3.97Å; F63-M65 HydrophobicContact CE1-CE 3.8Å; F63-M65 HydrophobicContact CZ-CB 4.21Å; F63-M65 HydrophobicContact CZ-CE 3.71Å; M65-T123 CarbonylContact C-O 3.55Å; M65-T123 WeakPolarHBondContact CA-O 3.38Å; M65-K124 HydrophobicContact CE-CG 4.38Å; M65-K124 HydrophobicContact CG-CG 4.17Å; M65-P295 VanDerWaalsContact O-CB 3.27Å; M65-P295 WeakPolarHBondContact O-CB 3.5Å
66S86.6Confident92.2Very high22 Ų2245.8 Ų45.815%0.15426%0.26CS..  trans-145147.1-179170.70000110.2S68 T123S66-S68 VanDerWaalsContact C-N 3.28Å; S66-S68 CarbonylContact C-O 3.58Å; S66-S68 VanDerWaalsContact CB-O 3.23Å; S66-S68 WeakPolarHBondContact CB-O 3.29Å; S66-S68 PolarHBondContact OG-N 3.24Å; S66-S68 PolarHBondContact OG-O 2.96Å; S66-S68 PolarHBondContact OG-OG 3.05Å; S66-T123 PolarHBondContact N-O 2.99Å; S66-T123 VanDerWaalsContact O-CB 3.29Å; S66-T123 WeakPolarHBondContact O-CB 3.46Å
67A85.6Confident92.6Very high114 Ų11439.9 Ų39.994%0.94223%0.228SC*.SBendtrans-73.1-21.4175.600000113.1
68S86.3Confident92.8Very high73 Ų7338 Ų3851%0.5122%0.221SC..SBendtrans-108.7169.5171.162.40000110.1S66 C70S66-S68 VanDerWaalsContact C-N 3.28Å; S66-S68 CarbonylContact C-O 3.58Å; S66-S68 VanDerWaalsContact CB-O 3.23Å; S66-S68 WeakPolarHBondContact CB-O 3.29Å; S66-S68 PolarHBondContact OG-N 3.24Å; S66-S68 PolarHBondContact OG-O 2.96Å; S66-S68 PolarHBondContact OG-OG 3.05Å; S68-C70 PolarHBondContact O-N 3.26Å
69P90.5Very high92.8Very high85 Ų8538.4 Ų38.455%0.55222%0.222SC*.SBendtrans-44.6120.9172.7-30.536.7000111.3Q122P69-Q122 HydrophobicContact CB-CB 4.45Å
70C91Very high92.6Very high10 Ų1037.4 Ų37.47%0.06822%0.217CC..  trans-70.1135.7-170-170.50000109.4S68 F118 Q122S68-C70 PolarHBondContact O-N 3.26Å; C70-F118 HydrophobicContact CB-CD1 4.19Å; C70-F118 HydrophobicContact CB-CE1 4.07Å; C70-F118 WeakPolarHBondContact O-CE1 3.31Å; C70-Q122 WeakPolarHBondContact CB-O 3.21Å; C70-Q122 PolarHBondContact N-O 2.91Å
71Q91.3Very high92.6Very high160 Ų16037.3 Ų37.375%0.74822%0.217SC*.  trans-120132.2172.2-64.1-175.6-1.900108.3K64K64-Q71 WeakPolarHBondContact CE-O 3.29Å; K64-Q71 PolarHBondContact NZ-O 3.46Å
72I93.5Very high92.6Very high15 Ų1537.3 Ų37.38%0.07722%0.217CC..  trans-148.2136.8176.3-165.1172.1000109.3F6 K64 E76 V77 L116 A125 V127 V297F6-I72 HydrophobicContact CE2-CG2 4.49Å; K64-I72 HydrophobicContact CB-CD1 3.96Å; K64-I72 HydrophobicContact CD-CB 3.97Å; K64-I72 HydrophobicContact CD-CD1 3.9Å; K64-I72 HydrophobicContact CD-CG1 4Å; I72-E76 HydrophobicContact CG1-CB 4.46Å; I72-V77 HydrophobicContact CD1-CG2 3.38Å; I72-V77 HydrophobicContact CG1-CG2 3.74Å; I72-L116 HydrophobicContact CG2-CD1 3.65Å; I72-L116 HydrophobicContact CG2-CD2 4.14Å; I72-A125 HydrophobicContact CG2-CB 3.82Å; I72-V127 HydrophobicContact CD1-CG2 4.23Å; I72-V127 HydrophobicContact CG2-CG2 4.47Å; I72-V297 HydrophobicContact CD1-CG2 4.12Å
73T95.8Very high92.5Very high43 Ų4338 Ų3826%0.26422%0.222SC..  trans-104.5158.5177.869.90000110.8F6 E75 E76 V77F6-T73 VanDerWaalsContact CE2-C 3.47Å; T73-E75 PolarHBondContact O-N 3.44Å; T73-E76 PolarHBondContact O-N 3.19Å; T73-E76 WeakPolarHBondContact OG1-CB 3.32Å; T73-E76 WeakPolarHBondContact OG1-CG 3.5Å; T73-E76 PolarHBondContact OG1-N 2.92Å; T73-V77 PolarHBondContact O-N 2.69Å
74G96.7Very high92.4Very high0 Ų038.1 Ų38.10%022%0.222CC..Hα-helixtrans-62.5-31.6174.400000112.3F6 S78F6-G74 VanDerWaalsContact CE2-N 3.32Å; G74-S78 WeakPolarHBondContact O-CB 3.33Å; G74-S78 PolarHBondContact O-N 3.3Å; G74-S78 PolarHBondContact O-OG 3.11Å
75E96.4Very high92.4Very high91 Ų9137.9 Ų37.943%0.42522%0.222SC..Hα-helixtrans-64.7-49.3174.4-176.9-176168.500111.6E13 T73 V77 S78 Q79E13-E75 HydrophobicContact CB-CB 4.34Å; E13-E75 HydrophobicContact CB-CG 4.16Å; E13-E75 HydrophobicContact CG-CB 4.47Å; E13-E75 HydrophobicContact CG-CG 3.91Å; T73-E75 PolarHBondContact O-N 3.44Å; E75-V77 VanDerWaalsContact C-N 3.3Å; E75-V77 PolarHBondContact O-N 2.98Å; E75-S78 PolarHBondContact O-N 3.34Å; E75-Q79 WeakPolarHBondContact O-CG 3.26Å; E75-Q79 PolarHBondContact O-N 3.12Å; E75-Q79 PolarHBondContact OE1-NE2 3.4Å
76E94.3Very high92.2Very high55 Ų5535.7 Ų35.726%0.25721%0.212SC..Hα-helixtrans-57.7-42.6178.4-78.7-178.2165.200111.7K64 I72 T73 T80K64-E76 IonicContact NZ-OE1 3.01Å; K64-E76 IonicContact NZ-OE2 2.8Å; K64-E76 PolarHBondContact NZ-OE2 3.21Å; I72-E76 HydrophobicContact CG1-CB 4.46Å; T73-E76 PolarHBondContact O-N 3.19Å; T73-E76 WeakPolarHBondContact OG1-CB 3.32Å; T73-E76 WeakPolarHBondContact OG1-CG 3.5Å; T73-E76 PolarHBondContact OG1-N 2.92Å; E76-T80 WeakPolarHBondContact O-CB 3.49Å; E76-T80 PolarHBondContact O-N 3.06Å; E76-T80 PolarHBondContact O-OG1 3.33Å
77V95.6Very high92Very high2 Ų238.8 Ų38.81%0.01222%0.221CC..Hα-helixtrans-64.8-47177.8174.70000111F6 A62 I72 T73 E75 Q79 T80 W81 V127F6-V77 HydrophobicContact CE2-CG2 4.37Å; F6-V77 HydrophobicContact CZ-CG2 4.08Å; A62-V77 HydrophobicContact CB-CG1 4.04Å; I72-V77 HydrophobicContact CD1-CG2 3.38Å; I72-V77 HydrophobicContact CG1-CG2 3.74Å; T73-V77 PolarHBondContact O-N 2.69Å; E75-V77 VanDerWaalsContact C-N 3.3Å; E75-V77 PolarHBondContact O-N 2.98Å; V77-Q79 VanDerWaalsContact C-N 3.35Å; V77-Q79 PolarHBondContact O-N 3.15Å; V77-T80 WeakPolarHBondContact O-CB 3.49Å; V77-T80 PolarHBondContact O-N 3.37Å; V77-T80 VanDerWaalsContact O-N 3.11Å; V77-W81 HydrophobicContact CG1-CD2 3.75Å; V77-W81 HydrophobicContact CG1-CE3 3.81Å; V77-W81 HydrophobicContact CG1-CH2 3.5Å; V77-W81 HydrophobicContact CG1-CZ2 3.44Å; V77-W81 VanDerWaalsContact CG1-CZ2 3.44Å; V77-W81 HydrophobicContact CG1-CZ3 3.69Å; V77-W81 PolarHBondContact O-N 3.43Å; V77-V127 HydrophobicContact CG1-CG1 3.94Å; V77-V127 HydrophobicContact CG2-CB 4.43Å; V77-V127 HydrophobicContact CG2-CG1 4.14Å; V77-V127 HydrophobicContact CG2-CG2 4.04Å
78S96.4Very high91.9Very high0 Ų034.1 Ų34.10%018%0.179CC..Hα-helixtrans-59.7-46.1-180-55.10000111.1A10 H14 G74 E75 T80 W81 Y82 M104A10-S78 PolarHBondContact O-OG 2.84Å; H14-S78 PolarHBondContact CE1-OG 3.2Å; H14-S78 PolarHBondContact ND1-OG 3.13Å; G74-S78 WeakPolarHBondContact O-CB 3.33Å; G74-S78 PolarHBondContact O-N 3.3Å; G74-S78 PolarHBondContact O-OG 3.11Å; E75-S78 PolarHBondContact O-N 3.34Å; S78-T80 VanDerWaalsContact C-N 3.3Å; S78-T80 PolarHBondContact O-N 2.94Å; S78-W81 PolarHBondContact O-N 3.44Å; S78-Y82 WeakPolarHBondContact O-CB 3.23Å; S78-Y82 PolarHBondContact O-N 3.41Å; S78-M104 WeakPolarHBondContact O-CE 3.38Å
79Q94.8Very high91.9Very high11 Ų1132.2 Ų32.25%0.05116%0.163CC..Hα-helixtrans-63-37175.6-70.9178.35.100112.2E13 E75 V77 Y82 S83 L206E13-Q79 HydrophobicContact CG-CG 4.08Å; E13-Q79 WeakPolarHBondContact OE1-CG 3.45Å; E13-Q79 PolarHBondContact OE1-NE2 3.38Å; E75-Q79 WeakPolarHBondContact O-CG 3.26Å; E75-Q79 PolarHBondContact O-N 3.12Å; E75-Q79 PolarHBondContact OE1-NE2 3.4Å; V77-Q79 VanDerWaalsContact C-N 3.35Å; V77-Q79 PolarHBondContact O-N 3.15Å; Q79-Y82 PolarHBondContact O-N 2.94Å; Q79-S83 WeakPolarHBondContact O-CB 3.48Å; Q79-S83 PolarHBondContact O-N 2.97Å; Q79-L206 HydrophobicContact CB-CD2 3.87Å; Q79-L206 HydrophobicContact CG-CD2 3.96Å
80T91.1Very high91.6Very high2 Ų230.9 Ų30.91%0.01215%0.149CC..Hα-helixtrans-67.3-46.2178.9-57.90000111.4E76 V77 S78 S83 V297 N299E76-T80 WeakPolarHBondContact O-CB 3.49Å; E76-T80 PolarHBondContact O-N 3.06Å; E76-T80 PolarHBondContact O-OG1 3.33Å; V77-T80 WeakPolarHBondContact O-CB 3.49Å; V77-T80 PolarHBondContact O-N 3.37Å; V77-T80 VanDerWaalsContact O-N 3.11Å; S78-T80 VanDerWaalsContact C-N 3.3Å; S78-T80 PolarHBondContact O-N 2.94Å; T80-S83 PolarHBondContact O-N 2.97Å; T80-S83 PolarHBondContact O-OG 2.87Å; T80-V297 HydrophobicContact CG2-CB 3.93Å; T80-V297 HydrophobicContact CG2-CG1 3.76Å; T80-N299 WeakPolarHBondContact CG2-OD1 3.36Å; T80-N299 PolarHBondContact O-ND2 3.41Å
81W95.2Very high91.1Very high0 Ų035.9 Ų35.90%018%0.18CC..Hα-helixtrans-62.7-41.9173.7-72.2-25.9000112.3H14 N60 L61 A62 V77 S78 S83 E84 H100 F101 M104 F114 V127 Y131H14-W81 AromaticContact CE1-CE3 3.91Å; H14-W81 AromaticContact CE1-CZ3 3.86Å; H14-W81 AromaticContact NE2-CE3 3.84Å; H14-W81 AromaticContact NE2-CZ3 3.91Å; N60-W81 HydrophobicContact CB-CD2 3.88Å; N60-W81 HydrophobicContact CB-CE3 4.07Å; N60-W81 HydrophobicContact CB-CH2 3.82Å; N60-W81 HydrophobicContact CB-CZ2 3.59Å; N60-W81 HydrophobicContact CB-CZ3 4.04Å; L61-W81 PolarHBondContact O-NE1 3.19Å; A62-W81 HydrophobicContact CB-CZ2 4.09Å; V77-W81 HydrophobicContact CG1-CD2 3.75Å; V77-W81 HydrophobicContact CG1-CE3 3.81Å; V77-W81 HydrophobicContact CG1-CH2 3.5Å; V77-W81 HydrophobicContact CG1-CZ2 3.44Å; V77-W81 VanDerWaalsContact CG1-CZ2 3.44Å; V77-W81 HydrophobicContact CG1-CZ3 3.69Å; V77-W81 PolarHBondContact O-N 3.43Å; S78-W81 PolarHBondContact O-N 3.44Å; W81-S83 VanDerWaalsContact C-N 3.29Å; W81-S83 PolarHBondContact O-N 3.26Å; W81-E84 WeakPolarHBondContact O-CG 3.34Å; W81-E84 PolarHBondContact O-N 3.28Å; W81-H100 HydrophobicContact CB-CB 3.75Å; W81-H100 AromaticContact CD1-CD2 3.72Å; W81-H100 AromaticContact CD1-CG 3.61Å; W81-H100 HydrophobicContact CG-CB 3.79Å; W81-H100 AromaticContact NE1-CD2 3.74Å; W81-F101 PolarHBondContact O-N 2.93Å; W81-M104 HydrophobicContact CB-CG 4.26Å; W81-M104 HydrophobicContact CB-SD 3.29Å; W81-M104 WeakPolarHBondContact CB-SD 3.36Å; W81-M104 HydrophobicContact CE3-CG 4.47Å; W81-M104 HydrophobicContact CE3-SD 4.38Å; W81-M104 HydrophobicContact CG-SD 4.41Å; W81-F114 HydrophobicContact CH2-CD1 4.43Å; W81-F114 HydrophobicContact CZ3-CD1 4.18Å; W81-F114 HydrophobicContact CZ3-CE1 4.03Å; W81-V127 HydrophobicContact CH2-CG1 4.25Å; W81-V127 HydrophobicContact CZ2-CG1 4.37Å; W81-Y131 WeakPolarHBondContact CZ3-OH 3.47Å
82Y95.2Very high90Very high0 Ų033 Ų330%017%0.166CC..Hα-helixtrans-67.7-29.8179-175.3-90.9000113L17 H21 S78 Q79 E84 I85 F101 M104 I105 L204 L206L17-Y82 HydrophobicContact CB-CD2 3.82Å; L17-Y82 HydrophobicContact CB-CE2 3.98Å; L17-Y82 HydrophobicContact CB-CG 4.37Å; L17-Y82 HydrophobicContact CD1-CD2 4.09Å; L17-Y82 HydrophobicContact CD1-CG 3.87Å; L17-Y82 HydrophobicContact CD2-CD1 3.75Å; L17-Y82 HydrophobicContact CD2-CD2 4.01Å; L17-Y82 HydrophobicContact CD2-CE1 3.86Å; L17-Y82 HydrophobicContact CD2-CE2 4.12Å; L17-Y82 HydrophobicContact CD2-CG 3.82Å; L17-Y82 HydrophobicContact CG-CD2 4.19Å; L17-Y82 HydrophobicContact CG-CG 4.24Å; H21-Y82 AromaticContact CD2-CE2 3.87Å; H21-Y82 AromaticContact NE2-CE2 3.42Å; H21-Y82 WeakPolarHBondContact NE2-CE2 3.37Å; H21-Y82 AromaticContact NE2-CZ 3.46Å; H21-Y82 PolarHBondContact NE2-OH 2.98Å; S78-Y82 WeakPolarHBondContact O-CB 3.23Å; S78-Y82 PolarHBondContact O-N 3.41Å; Q79-Y82 PolarHBondContact O-N 2.94Å; Y82-E84 PolarHBondContact O-N 2.75Å; Y82-I85 HydrophobicContact CD1-CG2 4.32Å; Y82-I85 HydrophobicContact CE1-CD1 4.32Å; Y82-I85 HydrophobicContact CE1-CG2 4.11Å; Y82-I85 WeakPolarHBondContact O-CB 3.39Å; Y82-I85 VanDerWaalsContact O-CG2 3.29Å; Y82-I85 WeakPolarHBondContact O-CG2 3.33Å; Y82-I85 PolarHBondContact O-N 3.03Å; Y82-F101 AromaticContact CD2-CD2 3.72Å; Y82-F101 HydrophobicContact CD2-CD2 3.72Å; Y82-F101 AromaticContact CD2-CE2 3.86Å; Y82-F101 HydrophobicContact CD2-CE2 3.86Å; Y82-F101 AromaticContact CE2-CD2 3.95Å; Y82-F101 HydrophobicContact CE2-CD2 3.95Å; Y82-F101 AromaticContact CE2-CE2 3.57Å; Y82-F101 HydrophobicContact CE2-CE2 3.57Å; Y82-F101 HydrophobicContact CG-CD2 4.25Å; Y82-M104 PolarHBondContact N-SD 3.11Å; Y82-M104 VanDerWaalsContact N-SD 3.41Å; Y82-I105 HydrophobicContact CD2-CG2 4.29Å; Y82-I105 HydrophobicContact CE2-CG2 4.07Å; Y82-L204 HydrophobicContact CE1-CB 4.47Å; Y82-L204 HydrophobicContact CE1-CD1 3.86Å; Y82-L204 HydrophobicContact CE1-CD2 4.08Å; Y82-L204 HydrophobicContact CE1-CG 4.35Å; Y82-L206 HydrophobicContact CD1-CD1 4.09Å; Y82-L206 HydrophobicContact CD1-CD2 3.95Å; Y82-L206 HydrophobicContact CD1-CG 4.44Å; Y82-L206 HydrophobicContact CE1-CD1 4.42Å
83S91.8Very high88.9Confident16 Ų1636.1 Ų36.111%0.11219%0.189CC..G310 helixtrans-58.4-16.9179.277.90000113.9Q79 T80 W81 I85 D86Q79-S83 WeakPolarHBondContact O-CB 3.48Å; Q79-S83 PolarHBondContact O-N 2.97Å; T80-S83 PolarHBondContact O-N 2.97Å; T80-S83 PolarHBondContact O-OG 2.87Å; W81-S83 VanDerWaalsContact C-N 3.29Å; W81-S83 PolarHBondContact O-N 3.26Å; S83-I85 PolarHBondContact O-N 2.92Å; S83-I85 VanDerWaalsContact O-N 3.15Å; S83-D86 PolarHBondContact O-N 3.3Å
84E90.9Very high87.9Confident7 Ų737.4 Ų37.43%0.03319%0.19CC..G310 helixtrans-64.8-10.5172.1-61.4-172.2157.600114.2W81 Y82 D86 Y87 H88 N97 S98 R99 H100 F101 N301W81-E84 WeakPolarHBondContact O-CG 3.34Å; W81-E84 PolarHBondContact O-N 3.28Å; Y82-E84 PolarHBondContact O-N 2.75Å; E84-D86 PolarHBondContact O-N 3Å; E84-D86 VanDerWaalsContact O-N 3.13Å; E84-Y87 PolarHBondContact O-N 3.43Å; E84-H88 PolarHBondContact O-N 2.89Å; E84-N97 WeakPolarHBondContact CB-O 3.39Å; E84-N97 VanDerWaalsContact CD-O 3.28Å; E84-N97 WeakPolarHBondContact CG-O 3.39Å; E84-S98 VanDerWaalsContact OE2-CA 3.23Å; E84-S98 WeakPolarHBondContact OE2-CA 3.42Å; E84-R99 PolarHBondContact OE2-N 3.46Å; E84-H100 IonicContact OE1-CE1 3.33Å; E84-H100 IonicContact OE1-CG 2.76Å; E84-H100 IonicContact OE1-ND1 2.95Å; E84-H100 PolarHBondContact OE1-ND1 3.4Å; E84-H100 WeakPolarHBondContact OE2-CA 3.3Å; E84-H100 VanDerWaalsContact OE2-CB 3.26Å; E84-H100 WeakPolarHBondContact OE2-CB 3.32Å; E84-H100 IonicContact OE2-CG 3.46Å; E84-H100 PolarHBondContact OE2-N 3.47Å; E84-H100 IonicContact OE2-ND1 2.75Å; E84-H100 PolarHBondContact OE2-ND1 2.92Å; E84-F101 HydrophobicContact CB-CB 3.82Å; E84-F101 PolarHBondContact OE2-N 2.76Å; E84-N301 PolarHBondContact OE1-ND2 2.92Å
85I90.6Very high86.9Confident9 Ų938.8 Ų38.85%0.04620%0.196CC..G310 helixtrans-51.4-31.3167.8-167171.3000112Y82 S83 Y87 H88 F90 F101 F200 L204Y82-I85 HydrophobicContact CD1-CG2 4.32Å; Y82-I85 HydrophobicContact CE1-CD1 4.32Å; Y82-I85 HydrophobicContact CE1-CG2 4.11Å; Y82-I85 WeakPolarHBondContact O-CB 3.39Å; Y82-I85 VanDerWaalsContact O-CG2 3.29Å; Y82-I85 WeakPolarHBondContact O-CG2 3.33Å; Y82-I85 PolarHBondContact O-N 3.03Å; S83-I85 PolarHBondContact O-N 2.92Å; S83-I85 VanDerWaalsContact O-N 3.15Å; I85-Y87 PolarHBondContact O-N 3.4Å; I85-Y87 VanDerWaalsContact O-N 3.12Å; I85-H88 PolarHBondContact O-N 3.34Å; I85-H88 VanDerWaalsContact O-N 3.11Å; I85-F90 HydrophobicContact CD1-CZ 4.24Å; I85-F90 HydrophobicContact CG1-CE2 4.28Å; I85-F90 HydrophobicContact CG1-CZ 4.14Å; I85-F101 HydrophobicContact CB-CD2 3.87Å; I85-F101 HydrophobicContact CB-CE1 4.42Å; I85-F101 HydrophobicContact CB-CE2 3.75Å; I85-F101 HydrophobicContact CB-CG 4.25Å; I85-F101 HydrophobicContact CB-CZ 4.03Å; I85-F101 HydrophobicContact CD1-CE2 3.78Å; I85-F101 HydrophobicContact CD1-CZ 3.81Å; I85-F101 HydrophobicContact CG1-CD2 4.43Å; I85-F101 HydrophobicContact CG1-CE1 4.22Å; I85-F101 HydrophobicContact CG1-CE2 3.83Å; I85-F101 HydrophobicContact CG1-CZ 3.69Å; I85-F200 HydrophobicContact CD1-CE1 4.29Å; I85-F200 HydrophobicContact CD1-CZ 4.13Å; I85-F200 HydrophobicContact CG2-CE1 4.39Å; I85-L204 HydrophobicContact CG2-CD1 4.35Å
86D85.8Confident86Confident34 Ų3437.1 Ų37.118%0.18219%0.193CC..G310 helixtrans-61.5-20.3177.1-73.9-23.7000113S83 E84 R201S83-D86 PolarHBondContact O-N 3.3Å; E84-D86 PolarHBondContact O-N 3Å; E84-D86 VanDerWaalsContact O-N 3.13Å; D86-R201 IonicContact OD2-CZ 3.99Å; D86-R201 IonicContact OD2-NH1 3.87Å; D86-R201 PolarHBondContact OD2-NH1 2.77Å
87Y83.1Confident85.4Confident87 Ų8738.3 Ų38.334%0.34120%0.201SC..G310 helixtrans-107-11.6177.9-51.5-68.9000113.3E84 I85 N97 R189E84-Y87 PolarHBondContact O-N 3.43Å; I85-Y87 PolarHBondContact O-N 3.4Å; I85-Y87 VanDerWaalsContact O-N 3.12Å; Y87-N97 HydrophobicContact CG-CB 4.43Å; Y87-R189 PolarHBondContact O-NH2 3.06Å
88H84.5Confident85.1Confident17 Ų1738.2 Ų38.28%0.07920%0.201CC..  trans-74.7129.8-176.6-166.867.3000111E84 I85 F90 S98 F101 T102E84-H88 PolarHBondContact O-N 2.89Å; I85-H88 PolarHBondContact O-N 3.34Å; I85-H88 VanDerWaalsContact O-N 3.11Å; H88-F90 AromaticContact CD2-CD1 3.66Å; H88-F90 AromaticContact CD2-CD2 3.89Å; H88-F90 AromaticContact CD2-CE1 3.71Å; H88-F90 AromaticContact CD2-CE2 3.93Å; H88-F90 AromaticContact CD2-CG 3.75Å; H88-F90 AromaticContact CD2-CZ 3.84Å; H88-F90 AromaticContact NE2-CD1 3.99Å; H88-S98 PolarHBondContact ND1-OG 2.94Å; H88-F101 HydrophobicContact CB-CD1 4.02Å; H88-F101 HydrophobicContact CB-CE1 3.97Å; H88-F101 AromaticContact CD2-CE1 3.85Å; H88-F101 AromaticContact CG-CE1 3.81Å; H88-T102 VanDerWaalsContact CE1-CG2 3.43Å; H88-T102 WeakPolarHBondContact CE1-CG2 3.41Å
89D84.8Confident84.8Confident32 Ų3239.1 Ų39.117%0.17120%0.204CC..  trans-103.3103.1171.6-179.4-4.5000108.3T91 Q92D89-T91 VanDerWaalsContact CG-OG1 3.24Å; D89-T91 PolarHBondContact O-N 3.37Å; D89-T91 VanDerWaalsContact O-N 3.11Å; D89-T91 WeakPolarHBondContact OD1-CB 3.4Å; D89-T91 PolarHBondContact OD1-N 2.88Å; D89-T91 PolarHBondContact OD1-OG1 3.25Å; D89-T91 PolarHBondContact OD2-OG1 2.96Å; D89-Q92 HydrophobicContact CB-CB 4.34Å; D89-Q92 HydrophobicContact CB-CG 4.32Å; D89-Q92 PolarHBondContact O-N 3.27Å; D89-Q92 WeakPolarHBondContact OD2-CG 3.21Å; D89-Q92 PolarHBondContact OD2-NE2 3.47Å
90F85.5Confident84.7Confident57 Ų5738.7 Ų38.725%0.2520%0.202CC..THydrogen-bonded Turntrans-66.2-9.5-178.8-66.7-91000113.6I85 H88 F101 V144 H146I85-F90 HydrophobicContact CD1-CZ 4.24Å; I85-F90 HydrophobicContact CG1-CE2 4.28Å; I85-F90 HydrophobicContact CG1-CZ 4.14Å; H88-F90 AromaticContact CD2-CD1 3.66Å; H88-F90 AromaticContact CD2-CD2 3.89Å; H88-F90 AromaticContact CD2-CE1 3.71Å; H88-F90 AromaticContact CD2-CE2 3.93Å; H88-F90 AromaticContact CD2-CG 3.75Å; H88-F90 AromaticContact CD2-CZ 3.84Å; H88-F90 AromaticContact NE2-CD1 3.99Å; F90-F101 HydrophobicContact CE1-CE1 4.39Å; F90-F101 HydrophobicContact CE1-CZ 4.33Å; F90-F101 HydrophobicContact CZ-CE1 4.15Å; F90-F101 AromaticContact CZ-CZ 3.96Å; F90-F101 HydrophobicContact CZ-CZ 3.96Å; F90-V144 HydrophobicContact CE1-CG1 4.28Å; F90-H146 WeakPolarHBondContact CB-CE1 3.14Å; F90-H146 AromaticContact CG-CE1 3.81Å; F90-H146 AromaticContact CG-ND1 3.74Å
91T79.5Confident84.9Confident116 Ų11638.6 Ų38.671%0.71220%0.202SC*.THydrogen-bonded Turntrans-82.8-16.9171.472.20000112.6D89D89-T91 VanDerWaalsContact CG-OG1 3.24Å; D89-T91 PolarHBondContact O-N 3.37Å; D89-T91 VanDerWaalsContact O-N 3.11Å; D89-T91 WeakPolarHBondContact OD1-CB 3.4Å; D89-T91 PolarHBondContact OD1-N 2.88Å; D89-T91 PolarHBondContact OD1-OG1 3.25Å; D89-T91 PolarHBondContact OD2-OG1 2.96Å
92Q68.8Low84.9Confident99 Ų9938.7 Ų38.746%0.46320%0.202SC..SBendtrans-105.4148.1177.5-63.9179.931.300109.8D89D89-Q92 HydrophobicContact CB-CB 4.34Å; D89-Q92 HydrophobicContact CB-CG 4.32Å; D89-Q92 PolarHBondContact O-N 3.27Å; D89-Q92 WeakPolarHBondContact OD2-CG 3.21Å; D89-Q92 PolarHBondContact OD2-NE2 3.47Å
93S69.8Low84.9Confident81 Ų8138.8 Ų38.857%0.56620%0.203SC*.SBendtrans-68.7-43.1179-500000111.3F140S93-F140 WeakPolarHBondContact O-CB 3.28Å; S93-F140 WeakPolarHBondContact O-CD1 3.22Å; S93-F140 WeakPolarHBondContact O-CD2 3.39Å; S93-F140 WeakPolarHBondContact O-CE1 3.41Å; S93-F140 WeakPolarHBondContact O-CG 3.47Å
94Y75.3Confident85.2Confident69 Ų6938.1 Ų38.127%0.27120%0.198SC..  trans-139137.4-170.8174.6-96.6000112.3P96 R99 F140Y94-P96 HydrophobicContact CE1-CB 4.36Å; Y94-R99 HydrophobicContact CE2-CG 3.75Å; Y94-R99 WeakPolarHBondContact OH-CD 3.32Å; Y94-R99 PolarHBondContact OH-NH1 3.2Å; Y94-F140 AromaticContact CD2-CE1 3.98Å; Y94-F140 HydrophobicContact CD2-CE1 3.98Å; Y94-F140 HydrophobicContact CD2-CE2 4.29Å; Y94-F140 AromaticContact CD2-CZ 3.51Å; Y94-F140 HydrophobicContact CD2-CZ 3.51Å; Y94-F140 HydrophobicContact CE2-CZ 4.44Å; Y94-F140 HydrophobicContact CG-CZ 4.26Å
95H76.6Confident85.5Confident30 Ų3037.8 Ų37.814%0.13920%0.196CC..  trans-132.4126.4171.5-166.7-85.4000109.8N97 S98 R189H95-N97 PolarHBondContact ND1-N 2.81Å; H95-N97 PolarHBondContact O-N 2.94Å; H95-S98 PolarHBondContact O-N 3.38Å; H95-S98 PolarHBondContact O-OG 3.03Å; H95-S98 VanDerWaalsContact O-OG 3.08Å; H95-R189 PolarHBondContact CD2-NH2 2.97Å; H95-R189 PolarHBondContact NE2-NH2 3.26Å; H95-R189 VanDerWaalsContact NE2-NH2 3.17Å
96P76.3Confident85.8Confident55 Ų5537.8 Ų37.836%0.35720%0.195SC..G310 helixtrans-62.4-30.9-173.323.5-33.6000112.9Y94 S98 N301Y94-P96 HydrophobicContact CE1-CB 4.36Å; P96-S98 PolarHBondContact O-N 3.33Å; P96-N301 WeakPolarHBondContact O-CB 3.38Å; P96-N301 PolarHBondContact O-ND2 2.87Å; P96-N301 PolarHBondContact O-OD1 2.62Å
97N81.6Confident86.3Confident81 Ų8139.1 Ų39.143%0.43320%0.2SC..G310 helixtrans-83.47.7179-56.7-16.3000113.9E84 Y87 H95E84-N97 WeakPolarHBondContact CB-O 3.39Å; E84-N97 VanDerWaalsContact CD-O 3.28Å; E84-N97 WeakPolarHBondContact CG-O 3.39Å; Y87-N97 HydrophobicContact CG-CB 4.43Å; H95-N97 PolarHBondContact ND1-N 2.81Å; H95-N97 PolarHBondContact O-N 2.94Å
98S88.9Confident86.9Confident0 Ų037.6 Ų37.60%020%0.202CC..G310 helixtrans-126.515.1178.574.20000113.8E84 H88 H95 P96 H100 F101 T102E84-S98 VanDerWaalsContact OE2-CA 3.23Å; E84-S98 WeakPolarHBondContact OE2-CA 3.42Å; H88-S98 PolarHBondContact ND1-OG 2.94Å; H95-S98 PolarHBondContact O-N 3.38Å; H95-S98 PolarHBondContact O-OG 3.03Å; H95-S98 VanDerWaalsContact O-OG 3.08Å; P96-S98 PolarHBondContact O-N 3.33Å; S98-H100 VanDerWaalsContact C-N 3.29Å; S98-H100 PolarHBondContact O-N 3.45Å; S98-F101 PolarHBondContact O-N 3.08Å; S98-T102 WeakPolarHBondContact O-CG2 3.3Å; S98-T102 PolarHBondContact O-N 3.4Å; S98-T102 PolarHBondContact O-OG1 3.34Å; S98-T102 VanDerWaalsContact O-OG1 3.09Å
99R90.4Very high87.6Confident19 Ų1936.8 Ų36.87%0.07220%0.198CC..Hα-helixtrans-62.1-37.2-175.1-74.2170.565.7110.2-4.5112.1E84 Y94 T102 Q103 N136 E307E84-R99 PolarHBondContact OE2-N 3.46Å; Y94-R99 HydrophobicContact CE2-CG 3.75Å; Y94-R99 WeakPolarHBondContact OH-CD 3.32Å; Y94-R99 PolarHBondContact OH-NH1 3.2Å; R99-T102 PolarHBondContact O-OG1 3.48Å; R99-Q103 WeakPolarHBondContact O-CB 3.48Å; R99-Q103 PolarHBondContact O-N 3.15Å; R99-Q103 VanDerWaalsContact O-N 3.1Å; R99-N136 PolarHBondContact O-ND2 3.11Å; R99-E307 IonicContact CZ-OE2 3.74Å; R99-E307 VanDerWaalsContact CZ-OE2 3.29Å; R99-E307 IonicContact NH1-OE2 3.85Å; R99-E307 PolarHBondContact NH1-OE2 3.45Å; R99-E307 IonicContact NH2-OE2 3.62Å; R99-E307 PolarHBondContact NH2-OE2 3.47Å
100H93.3Very high88.2Confident2 Ų238.7 Ų38.71%0.00921%0.211CC..Hα-helixtrans-68.6-47.6179.7-58.1106.5000109.9N60 L61 W81 E84 S98 Q103 M104 N301N60-H100 WeakPolarHBondContact ND2-CA 3.44Å; N60-H100 PolarHBondContact ND2-O 2.68Å; L61-H100 PolarHBondContact O-NE2 3.07Å; W81-H100 HydrophobicContact CB-CB 3.75Å; W81-H100 AromaticContact CD1-CD2 3.72Å; W81-H100 AromaticContact CD1-CG 3.61Å; W81-H100 HydrophobicContact CG-CB 3.79Å; W81-H100 AromaticContact NE1-CD2 3.74Å; E84-H100 IonicContact OE1-CE1 3.33Å; E84-H100 IonicContact OE1-CG 2.76Å; E84-H100 IonicContact OE1-ND1 2.95Å; E84-H100 PolarHBondContact OE1-ND1 3.4Å; E84-H100 WeakPolarHBondContact OE2-CA 3.3Å; E84-H100 VanDerWaalsContact OE2-CB 3.26Å; E84-H100 WeakPolarHBondContact OE2-CB 3.32Å; E84-H100 IonicContact OE2-CG 3.46Å; E84-H100 PolarHBondContact OE2-N 3.47Å; E84-H100 IonicContact OE2-ND1 2.75Å; E84-H100 PolarHBondContact OE2-ND1 2.92Å; S98-H100 VanDerWaalsContact C-N 3.29Å; S98-H100 PolarHBondContact O-N 3.45Å; H100-Q103 PolarHBondContact O-N 3.35Å; H100-M104 WeakPolarHBondContact O-CG 3.36Å; H100-M104 PolarHBondContact O-N 3.35Å; H100-N301 PolarHBondContact CE1-OD1 3.49Å; H100-N301 PolarHBondContact ND1-OD1 3.1Å
101F95Very high88.9Confident0 Ų040.7 Ų40.70%022%0.217CC..Hα-helixtrans-56.5-52.1175.9162.3-104.4000112H21 W81 Y82 E84 I85 H88 F90 S98 Q103 M104 I105 V144H21-F101 AromaticContact CE1-CE2 3.94Å; H21-F101 AromaticContact CE1-CZ 3.7Å; H21-F101 AromaticContact NE2-CE2 3.79Å; W81-F101 PolarHBondContact O-N 2.93Å; Y82-F101 AromaticContact CD2-CD2 3.72Å; Y82-F101 HydrophobicContact CD2-CD2 3.72Å; Y82-F101 AromaticContact CD2-CE2 3.86Å; Y82-F101 HydrophobicContact CD2-CE2 3.86Å; Y82-F101 AromaticContact CE2-CD2 3.95Å; Y82-F101 HydrophobicContact CE2-CD2 3.95Å; Y82-F101 AromaticContact CE2-CE2 3.57Å; Y82-F101 HydrophobicContact CE2-CE2 3.57Å; Y82-F101 HydrophobicContact CG-CD2 4.25Å; E84-F101 HydrophobicContact CB-CB 3.82Å; E84-F101 PolarHBondContact OE2-N 2.76Å; I85-F101 HydrophobicContact CB-CD2 3.87Å; I85-F101 HydrophobicContact CB-CE1 4.42Å; I85-F101 HydrophobicContact CB-CE2 3.75Å; I85-F101 HydrophobicContact CB-CG 4.25Å; I85-F101 HydrophobicContact CB-CZ 4.03Å; I85-F101 HydrophobicContact CD1-CE2 3.78Å; I85-F101 HydrophobicContact CD1-CZ 3.81Å; I85-F101 HydrophobicContact CG1-CD2 4.43Å; I85-F101 HydrophobicContact CG1-CE1 4.22Å; I85-F101 HydrophobicContact CG1-CE2 3.83Å; I85-F101 HydrophobicContact CG1-CZ 3.69Å; H88-F101 HydrophobicContact CB-CD1 4.02Å; H88-F101 HydrophobicContact CB-CE1 3.97Å; H88-F101 AromaticContact CD2-CE1 3.85Å; H88-F101 AromaticContact CG-CE1 3.81Å; F90-F101 HydrophobicContact CE1-CE1 4.39Å; F90-F101 HydrophobicContact CE1-CZ 4.33Å; F90-F101 HydrophobicContact CZ-CE1 4.15Å; F90-F101 AromaticContact CZ-CZ 3.96Å; F90-F101 HydrophobicContact CZ-CZ 3.96Å; S98-F101 PolarHBondContact O-N 3.08Å; F101-Q103 VanDerWaalsContact C-N 3.29Å; F101-Q103 PolarHBondContact O-N 3.29Å; F101-M104 WeakPolarHBondContact O-CB 3.2Å; F101-M104 PolarHBondContact O-N 2.89Å; F101-M104 VanDerWaalsContact O-N 3.12Å; F101-I105 HydrophobicContact CD2-CG1 4.48Å; F101-I105 HydrophobicContact CE1-CD1 3.81Å; F101-I105 HydrophobicContact CE1-CG1 4.33Å; F101-I105 HydrophobicContact CE2-CD1 3.65Å; F101-I105 HydrophobicContact CE2-CG1 4.03Å; F101-I105 HydrophobicContact CE2-CG2 4.17Å; F101-I105 HydrophobicContact CZ-CD1 3.23Å; F101-I105 HydrophobicContact CZ-CG1 3.96Å; F101-I105 WeakPolarHBondContact O-CG1 3.4Å; F101-I105 PolarHBondContact O-N 2.79Å; F101-I105 VanDerWaalsContact O-N 3.14Å; F101-V144 HydrophobicContact CE1-CG1 4.1Å
102T94.8Very high89.8Confident1 Ų135.1 Ų35.11%0.00618%0.183CC..Hα-helixtrans-63.2-37-177.452.10000111.8H88 S98 R99 W106 N136 F140 V144H88-T102 VanDerWaalsContact CE1-CG2 3.43Å; H88-T102 WeakPolarHBondContact CE1-CG2 3.41Å; S98-T102 WeakPolarHBondContact O-CG2 3.3Å; S98-T102 PolarHBondContact O-N 3.4Å; S98-T102 PolarHBondContact O-OG1 3.34Å; S98-T102 VanDerWaalsContact O-OG1 3.09Å; R99-T102 PolarHBondContact O-OG1 3.48Å; T102-W106 PolarHBondContact O-N 3.4Å; T102-N136 VanDerWaalsContact CB-OD1 3.29Å; T102-N136 WeakPolarHBondContact CB-OD1 3.37Å; T102-N136 PolarHBondContact OG1-OD1 2.94Å; T102-F140 HydrophobicContact CG2-CD1 4.45Å; T102-F140 HydrophobicContact CG2-CE1 4.36Å; T102-V144 HydrophobicContact CG2-CG1 3.94Å; T102-V144 HydrophobicContact CG2-CG2 3.97Å
103Q95.8Very high91.2Very high3 Ų330.4 Ų30.41%0.01416%0.161CC..Hα-helixtrans-65-41.7174.2178.858.586.700112.2G58 R99 H100 F101 I105 W106 T109 Y131 G135 N136G58-Q103 VanDerWaalsContact CA-OE1 3.31Å; R99-Q103 WeakPolarHBondContact O-CB 3.48Å; R99-Q103 PolarHBondContact O-N 3.15Å; R99-Q103 VanDerWaalsContact O-N 3.1Å; H100-Q103 PolarHBondContact O-N 3.35Å; F101-Q103 VanDerWaalsContact C-N 3.29Å; F101-Q103 PolarHBondContact O-N 3.29Å; Q103-I105 VanDerWaalsContact C-N 3.34Å; Q103-I105 PolarHBondContact O-N 2.77Å; Q103-W106 WeakPolarHBondContact O-CB 3.45Å; Q103-W106 PolarHBondContact O-N 3.36Å; Q103-T109 PolarHBondContact NE2-OG1 2.97Å; Q103-Y131 HydrophobicContact CG-CD1 4.23Å; Q103-Y131 HydrophobicContact CG-CD2 3.29Å; Q103-Y131 HydrophobicContact CG-CE1 4.43Å; Q103-Y131 HydrophobicContact CG-CE2 3.55Å; Q103-Y131 HydrophobicContact CG-CG 3.66Å; Q103-G135 VanDerWaalsContact OE1-CA 3.3Å; Q103-N136 PolarHBondContact N-OD1 2.99Å
104M97.4Very high92.5Very high2 Ų226.6 Ų26.61%0.0113%0.134CC..Hα-helixtrans-59.9-44.8178.5-72.517974.600112.1L17 R18 S78 W81 Y82 H100 F101L17-M104 HydrophobicContact CD1-CE 3.84Å; R18-M104 WeakPolarHBondContact CD-O 3.43Å; R18-M104 WeakPolarHBondContact CG-O 3.43Å; R18-M104 PolarHBondContact NH1-O 2.73Å; S78-M104 WeakPolarHBondContact O-CE 3.38Å; W81-M104 HydrophobicContact CB-CG 4.26Å; W81-M104 HydrophobicContact CB-SD 3.29Å; W81-M104 WeakPolarHBondContact CB-SD 3.36Å; W81-M104 HydrophobicContact CE3-CG 4.47Å; W81-M104 HydrophobicContact CE3-SD 4.38Å; W81-M104 HydrophobicContact CG-SD 4.41Å; Y82-M104 PolarHBondContact N-SD 3.11Å; Y82-M104 VanDerWaalsContact N-SD 3.41Å; H100-M104 WeakPolarHBondContact O-CG 3.36Å; H100-M104 PolarHBondContact O-N 3.35Å; F101-M104 WeakPolarHBondContact O-CB 3.2Å; F101-M104 PolarHBondContact O-N 2.89Å; F101-M104 VanDerWaalsContact O-N 3.12Å
105I96.7Very high93.6Very high0 Ų023.3 Ų23.30%012%0.121CC..THydrogen-bonded Turntrans-94.411.5-176.668156.3000113.8R18 H21 C23 Y82 F101 Q103 K107 N143 V144R18-I105 HydrophobicContact CG-CG2 4.39Å; H21-I105 HydrophobicContact CB-CD1 4.39Å; H21-I105 WeakPolarHBondContact ND1-CD1 3.24Å; C23-I105 PolarHBondContact SG-O 2.99Å; Y82-I105 HydrophobicContact CD2-CG2 4.29Å; Y82-I105 HydrophobicContact CE2-CG2 4.07Å; F101-I105 HydrophobicContact CD2-CG1 4.48Å; F101-I105 HydrophobicContact CE1-CD1 3.81Å; F101-I105 HydrophobicContact CE1-CG1 4.33Å; F101-I105 HydrophobicContact CE2-CD1 3.65Å; F101-I105 HydrophobicContact CE2-CG1 4.03Å; F101-I105 HydrophobicContact CE2-CG2 4.17Å; F101-I105 HydrophobicContact CZ-CD1 3.23Å; F101-I105 HydrophobicContact CZ-CG1 3.96Å; F101-I105 WeakPolarHBondContact O-CG1 3.4Å; F101-I105 PolarHBondContact O-N 2.79Å; F101-I105 VanDerWaalsContact O-N 3.14Å; Q103-I105 VanDerWaalsContact C-N 3.34Å; Q103-I105 PolarHBondContact O-N 2.77Å; I105-K107 PolarHBondContact O-N 3.41Å; I105-N143 VanDerWaalsContact O-O 3.1Å; I105-V144 HydrophobicContact CD1-CG1 3.66Å; I105-V144 HydrophobicContact CG1-CG1 4.21Å
106W96.9Very high94.6Very high8 Ų822.5 Ų22.53%0.0312%0.117CC..  trans-60.5112.5-179.3-158.8-101.9000111.1R18 T102 Q103 S108 T109 N136 G138 F140 N143 V144R18-W106 PolarHBondContact NH1-O 3.29Å; R18-W106 PolarHBondContact NH2-O 3.49Å; T102-W106 PolarHBondContact O-N 3.4Å; Q103-W106 WeakPolarHBondContact O-CB 3.45Å; Q103-W106 PolarHBondContact O-N 3.36Å; W106-S108 VanDerWaalsContact C-N 3.28Å; W106-S108 PolarHBondContact O-N 3.09Å; W106-T109 WeakPolarHBondContact CB-OG1 3.28Å; W106-T109 WeakPolarHBondContact O-CB 3.27Å; W106-T109 PolarHBondContact O-N 2.73Å; W106-T109 VanDerWaalsContact O-N 3.11Å; W106-N136 VanDerWaalsContact CH2-N 3.33Å; W106-N136 VanDerWaalsContact CZ3-N 3.34Å; W106-G138 WeakPolarHBondContact CH2-O 3.47Å; W106-G138 WeakPolarHBondContact CZ2-O 3.21Å; W106-F140 AromaticContact CH2-CD1 3.89Å; W106-F140 HydrophobicContact CH2-CD1 3.89Å; W106-F140 HydrophobicContact CH2-CD2 4.15Å; W106-F140 AromaticContact CH2-CE1 3.95Å; W106-F140 HydrophobicContact CH2-CE1 3.95Å; W106-F140 HydrophobicContact CH2-CE2 4.18Å; W106-F140 AromaticContact CH2-CG 3.98Å; W106-F140 HydrophobicContact CH2-CG 3.98Å; W106-F140 HydrophobicContact CH2-CZ 4.05Å; W106-F140 AromaticContact CZ3-CD1 3.54Å; W106-F140 HydrophobicContact CZ3-CD1 3.54Å; W106-F140 AromaticContact CZ3-CE1 3.58Å; W106-F140 HydrophobicContact CZ3-CE1 3.58Å; W106-F140 HydrophobicContact CZ3-CG 4.08Å; W106-F140 HydrophobicContact CZ3-CZ 4.11Å; W106-N143 WeakPolarHBondContact CA-O 3.46Å; W106-N143 HydrophobicContact CD2-CB 3.44Å; W106-N143 VanDerWaalsContact CD2-CB 3.44Å; W106-N143 HydrophobicContact CE3-CB 3.75Å; W106-N143 HydrophobicContact CG-CB 4.01Å; W106-N143 HydrophobicContact CH2-CB 3.91Å; W106-N143 HydrophobicContact CZ2-CB 3.59Å; W106-N143 HydrophobicContact CZ3-CB 3.97Å; W106-N143 PolarHBondContact NE1-OD1 3.07Å; W106-V144 HydrophobicContact CE3-CG2 3.74Å; W106-V144 HydrophobicContact CZ3-CG2 3.59Å
107K96.7Very high95.6Very high63 Ų6320.3 Ų20.327%0.27410%0.104SC..THydrogen-bonded Turntrans-58.1-39.1-171.3-167.7179-178.9-178.70113.1I105 W142 N143I105-K107 PolarHBondContact O-N 3.41Å; K107-W142 HydrophobicContact CD-CZ2 4.26Å; K107-W142 VanDerWaalsContact NZ-CH2 3.28Å; K107-W142 VanDerWaalsContact NZ-CZ2 3.33Å; K107-N143 PolarHBondContact N-O 3.07Å
108S97.1Very high96.4Very high54 Ų5420 Ų2038%0.37810%0.099SC..THydrogen-bonded Turntrans-81.3-12-178.5-55.60000114.3W106 P133 N143W106-S108 VanDerWaalsContact C-N 3.28Å; W106-S108 PolarHBondContact O-N 3.09Å; S108-P133 WeakPolarHBondContact O-CD 3.49Å; S108-N143 VanDerWaalsContact CB-OD1 3.26Å; S108-N143 WeakPolarHBondContact CB-OD1 3.15Å; S108-N143 PolarHBondContact N-OD1 3.48Å; S108-N143 VanDerWaalsContact N-OD1 3.07Å; S108-N143 PolarHBondContact OG-OD1 2.84Å
109T98.2Very high96.7Very high1 Ų120.2 Ų20.21%0.00610%0.1CC..  trans-73.3132.6172.1-63.10000108.8R18 L26 Q103 W106 Y131 P133R18-T109 PolarHBondContact NH2-O 2.87Å; R18-T109 VanDerWaalsContact NH2-O 3.13Å; L26-T109 HydrophobicContact CD2-CG2 3.74Å; L26-T109 WeakPolarHBondContact CD2-O 3.46Å; Q103-T109 PolarHBondContact NE2-OG1 2.97Å; W106-T109 WeakPolarHBondContact CB-OG1 3.28Å; W106-T109 WeakPolarHBondContact O-CB 3.27Å; W106-T109 PolarHBondContact O-N 2.73Å; W106-T109 VanDerWaalsContact O-N 3.11Å; T109-Y131 HydrophobicContact CG2-CD1 4.2Å; T109-Y131 HydrophobicContact CG2-CG 4.45Å; T109-P133 PolarHBondContact OG1-O 2.67Å
110T98.3Very high96.8Very high71 Ų7128.7 Ų28.744%0.43614%0.141SC..  trans-123.3-21.7-173.658.50000113.7L26 Q27 L132L26-T110 WeakPolarHBondContact CA-O 3.37Å; Q27-T110 PolarHBondContact N-O 3.38Å; T110-L132 PolarHBondContact N-O 2.99Å; T110-L132 PolarHBondContact OG1-O 3.47Å
111R98.5Very high96.8Very high99 Ų9932.9 Ų32.937%0.37416%0.163SC..EExtended strand (participates in β ladder)trans-128.4145.9-177.4-63.9-172.8-66.9175.3-10.7111.3Q27 D29 L32 Y131 L132Q27-R111 CarbonylContact O-C 3.53Å; Q27-R111 VanDerWaalsContact O-CA 3.29Å; Q27-R111 WeakPolarHBondContact O-CA 3.36Å; D29-R111 HydrophobicContact CB-CB 4.04Å; D29-R111 HydrophobicContact CB-CG 4.49Å; D29-R111 VanDerWaalsContact OD2-CD 3.32Å; D29-R111 WeakPolarHBondContact OD2-CD 3.07Å; D29-R111 IonicContact OD2-CZ 3.41Å; D29-R111 IonicContact OD2-NE 3.72Å; D29-R111 IonicContact OD2-NH1 2.7Å; D29-R111 PolarHBondContact OD2-NH1 3.34Å; L32-R111 HydrophobicContact CD1-CB 4.13Å; R111-Y131 WeakPolarHBondContact O-CA 3.44Å; R111-L132 HydrophobicContact CB-CB 4.46Å; R111-L132 PolarHBondContact N-O 3.36Å; R111-L132 PolarHBondContact O-N 3.25Å
112A98.5Very high96.8Very high0 Ų038.3 Ų38.30%019%0.188CC..EExtended strand (participates in β ladder)trans-145.5160174.700000112.6I11 L26 Q27 L28 D29 F114 R130 Y131I11-A112 HydrophobicContact CD1-CB 4.31Å; L26-A112 HydrophobicContact CD1-CB 4.02Å; Q27-A112 PolarHBondContact O-N 2.87Å; L28-A112 WeakPolarHBondContact CA-O 2.78Å; D29-A112 PolarHBondContact N-O 3.05Å; A112-F114 HydrophobicContact CB-CE2 4.25Å; A112-F114 HydrophobicContact CB-CZ 4Å; A112-R130 CarbonylContact C-O 3.58Å; A112-R130 WeakPolarHBondContact CA-O 3.27Å; A112-R130 WeakPolarHBondContact CB-O 3.43Å; A112-Y131 HydrophobicContact CB-CD1 4Å; A112-Y131 HydrophobicContact CB-CE1 4.27Å
113G98.4Very high96.8Very high0 Ų039.6 Ų39.60%020%0.196CC..EExtended strand (participates in β ladder)trans-152.8147.4171.800000110.9R130G113-R130 PolarHBondContact N-O 3.01Å; G113-R130 PolarHBondContact O-N 3.12Å
114F98.5Very high96.6Very high1 Ų141.1 Ų41.10%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-127.9144.8-171.4-48.6-85.6000112F6 N7 A10 I11 H14 L28 W81 A112 V128F6-F114 HydrophobicContact CD1-CB 4.18Å; F6-F114 HydrophobicContact CE1-CB 3.93Å; N7-F114 PolarHBondContact ND2-O 3.13Å; N7-F114 WeakPolarHBondContact OD1-CA 2.75Å; N7-F114 WeakPolarHBondContact OD1-CB 3.29Å; N7-F114 WeakPolarHBondContact OD1-CD2 3.27Å; N7-F114 PolarHBondContact OD1-N 2.87Å; N7-F114 PolarHBondContact OD1-O 2.93Å; A10-F114 HydrophobicContact CB-CB 4.45Å; A10-F114 HydrophobicContact CB-CD1 4.1Å; A10-F114 HydrophobicContact CB-CD2 3.55Å; A10-F114 HydrophobicContact CB-CE1 4.24Å; A10-F114 HydrophobicContact CB-CE2 3.69Å; A10-F114 HydrophobicContact CB-CG 3.77Å; A10-F114 HydrophobicContact CB-CZ 4.04Å; I11-F114 HydrophobicContact CB-CE2 4.27Å; I11-F114 HydrophobicContact CD1-CE2 4.17Å; H14-F114 AromaticContact CE1-CE1 3.4Å; H14-F114 VanDerWaalsContact CE1-CE1 3.4Å; H14-F114 WeakPolarHBondContact CE1-CE1 3.28Å; H14-F114 AromaticContact CE1-CZ 3.55Å; H14-F114 AromaticContact ND1-CZ 3.71Å; H14-F114 AromaticContact NE2-CE1 3.57Å; H14-F114 AromaticContact NE2-CZ 3.76Å; L28-F114 HydrophobicContact CD2-CD2 4.08Å; L28-F114 HydrophobicContact CD2-CE2 4.09Å; W81-F114 HydrophobicContact CH2-CD1 4.43Å; W81-F114 HydrophobicContact CZ3-CD1 4.18Å; W81-F114 HydrophobicContact CZ3-CE1 4.03Å; A112-F114 HydrophobicContact CB-CE2 4.25Å; A112-F114 HydrophobicContact CB-CZ 4Å; F114-V128 CarbonylContact C-O 3.58Å; F114-V128 VanDerWaalsContact CA-O 3.3Å; F114-V128 WeakPolarHBondContact CA-O 3.35Å
115G98.2Very high96.6Very high0 Ų041 Ų410%020%0.203CC..EExtended strand (participates in β ladder)trans-127.5143.5178.400000111.5V127 V128G115-V127 WeakPolarHBondContact O-CA 3.13Å; G115-V127 WeakPolarHBondContact O-CG1 3.41Å; G115-V128 PolarHBondContact N-O 3.23Å; G115-V128 PolarHBondContact O-N 3.12Å
116L97.9Very high96.5Very high12 Ų1241.2 Ų41.26%0.06320%0.203CC..EExtended strand (participates in β ladder)trans-136.2127.3177.4168.564.5000109.4F6 Q37 I72 F118 A125 Y126 V127F6-L116 HydrophobicContact CD1-CB 4.15Å; F6-L116 HydrophobicContact CD2-CB 4.34Å; F6-L116 HydrophobicContact CD2-CD2 3.65Å; F6-L116 HydrophobicContact CE1-CB 4.17Å; F6-L116 HydrophobicContact CE2-CB 4.35Å; F6-L116 HydrophobicContact CE2-CD2 3.92Å; F6-L116 HydrophobicContact CG-CB 4.24Å; F6-L116 HydrophobicContact CG-CD2 4.16Å; F6-L116 HydrophobicContact CZ-CB 4.28Å; Q37-L116 PolarHBondContact NE2-O 3.06Å; Q37-L116 PolarHBondContact OE1-O 3.32Å; I72-L116 HydrophobicContact CG2-CD1 3.65Å; I72-L116 HydrophobicContact CG2-CD2 4.14Å; L116-F118 HydrophobicContact CD1-CE1 4.45Å; L116-F118 HydrophobicContact CD1-CE2 4.12Å; L116-F118 HydrophobicContact CD1-CZ 4Å; L116-F118 HydrophobicContact CD2-CE2 3.84Å; L116-F118 HydrophobicContact CD2-CZ 3.88Å; L116-F118 HydrophobicContact CG-CE2 3.89Å; L116-F118 HydrophobicContact CG-CZ 4.15Å; L116-A125 HydrophobicContact CD1-CB 4.06Å; L116-Y126 WeakPolarHBondContact CA-O 3.48Å; L116-V127 HydrophobicContact CD1-CG2 3.7Å
117A97.6Very high96.6Very high9 Ų940.9 Ų40.97%0.07420%0.202CC..EExtended strand (participates in β ladder)trans-135.2156.417100000110.6A40 E41 A44 A125 Y126A40-A117 VanDerWaalsContact C-CB 3.42Å; A40-A117 HydrophobicContact CB-CB 3.95Å; A40-A117 WeakPolarHBondContact O-CB 3.19Å; E41-A117 HydrophobicContact CB-CB 4.48Å; E41-A117 HydrophobicContact CG-CB 4.05Å; A44-A117 HydrophobicContact CB-CB 3.77Å; A117-A125 WeakPolarHBondContact O-CA 3.44Å; A117-Y126 PolarHBondContact N-O 3.24Å; A117-Y126 PolarHBondContact O-N 2.99Å
118F96.4Very high96.6Very high76 Ų7637.9 Ų37.933%0.33319%0.189SC..EExtended strand (participates in β ladder)trans-115.8150.9178.6-64.4-88000110.4C70 L116 K124 A125C70-F118 HydrophobicContact CB-CD1 4.19Å; C70-F118 HydrophobicContact CB-CE1 4.07Å; C70-F118 WeakPolarHBondContact O-CE1 3.31Å; L116-F118 HydrophobicContact CD1-CE1 4.45Å; L116-F118 HydrophobicContact CD1-CE2 4.12Å; L116-F118 HydrophobicContact CD1-CZ 4Å; L116-F118 HydrophobicContact CD2-CE2 3.84Å; L116-F118 HydrophobicContact CD2-CZ 3.88Å; L116-F118 HydrophobicContact CG-CE2 3.89Å; L116-F118 HydrophobicContact CG-CZ 4.15Å; F118-K124 CarbonylContact C-O 3.38Å; F118-K124 WeakPolarHBondContact CA-O 3.4Å; F118-A125 HydrophobicContact CD1-CB 3.82Å; F118-A125 HydrophobicContact CE1-CB 3.65Å
119S95.4Very high96.6Very high3 Ų335.3 Ų35.32%0.02117%0.171CC..  trans-59.3163.9167.552.70000111.2D121 Q122 T123 K124S119-D121 WeakPolarHBondContact CB-OD1 3.47Å; S119-D121 PolarHBondContact O-N 2.96Å; S119-D121 PolarHBondContact OG-OD1 3.49Å; S119-Q122 WeakPolarHBondContact O-CA 3.5Å; S119-Q122 PolarHBondContact O-N 3.14Å; S119-T123 PolarHBondContact OG-N 2.84Å; S119-K124 PolarHBondContact N-O 2.93Å; S119-K124 WeakPolarHBondContact OG-CB 3.33Å; S119-K124 PolarHBondContact OG-N 2.84Å; S119-K124 PolarHBondContact OG-O 3.09Å
120Q94.1Very high96.6Very high198 Ų19835.3 Ų35.393%0.92517%0.171SC*.THydrogen-bonded Turntrans-58-35-177.7-173176.411.500113.2Q122Q120-Q122 VanDerWaalsContact C-N 3.29Å
121D93.5Very high96.6Very high90 Ų9031.9 Ų31.948%0.48115%0.15SC..THydrogen-bonded Turntrans-84.20.4176.368.1-10.4000113.7S119 T123S119-D121 WeakPolarHBondContact CB-OD1 3.47Å; S119-D121 PolarHBondContact O-N 2.96Å; S119-D121 PolarHBondContact OG-OD1 3.49Å; D121-T123 HydrophobicContact CB-CG2 4.24Å; D121-T123 PolarHBondContact O-N 3.16Å; D121-T123 VanDerWaalsContact O-N 3.13Å; D121-T123 PolarHBondContact OD1-N 2.88Å; D121-T123 VanDerWaalsContact OD1-N 3.09Å; D121-T123 PolarHBondContact OD1-OG1 3.05Å; D121-T123 WeakPolarHBondContact OD2-CG2 3.2Å; D121-T123 PolarHBondContact OD2-OG1 3.31Å
122Q94.1Very high96.5Very high113 Ų11329.4 Ų29.453%0.52814%0.144SC..SBendtrans58.812.8-175.7-55.6-176.444.100115.3P69 C70 S119 Q120P69-Q122 HydrophobicContact CB-CB 4.45Å; C70-Q122 WeakPolarHBondContact CB-O 3.21Å; C70-Q122 PolarHBondContact N-O 2.91Å; S119-Q122 WeakPolarHBondContact O-CA 3.5Å; S119-Q122 PolarHBondContact O-N 3.14Å; Q120-Q122 VanDerWaalsContact C-N 3.29Å
123T94.1Very high96.4Very high28 Ų2832.4 Ų32.417%0.17216%0.163CC..  trans-83.9-17.2-178.666.60000112.9M65 S66 S119 D121M65-T123 CarbonylContact C-O 3.55Å; M65-T123 WeakPolarHBondContact CA-O 3.38Å; S66-T123 PolarHBondContact N-O 2.99Å; S66-T123 VanDerWaalsContact O-CB 3.29Å; S66-T123 WeakPolarHBondContact O-CB 3.46Å; S119-T123 PolarHBondContact OG-N 2.84Å; D121-T123 HydrophobicContact CB-CG2 4.24Å; D121-T123 PolarHBondContact O-N 3.16Å; D121-T123 VanDerWaalsContact O-N 3.13Å; D121-T123 PolarHBondContact OD1-N 2.88Å; D121-T123 VanDerWaalsContact OD1-N 3.09Å; D121-T123 PolarHBondContact OD1-OG1 3.05Å; D121-T123 WeakPolarHBondContact OD2-CG2 3.2Å; D121-T123 PolarHBondContact OD2-OG1 3.31Å
124K93.3Very high96.2Very high36 Ų3634 Ų3416%0.15717%0.173CC..EExtended strand (participates in β ladder)trans-120.6137.5-179.8-53.7168.6-165.6160.10110.5E47 F63 K64 M65 F118 S119 Y126E47-K124 IonicContact OE1-NZ 2.94Å; E47-K124 PolarHBondContact OE1-NZ 3.35Å; E47-K124 IonicContact OE2-NZ 3.02Å; E47-K124 PolarHBondContact OE2-NZ 3.34Å; F63-K124 HydrophobicContact CE2-CB 3.7Å; F63-K124 HydrophobicContact CE2-CD 4.11Å; F63-K124 HydrophobicContact CE2-CG 4.05Å; F63-K124 HydrophobicContact CZ-CB 3.97Å; F63-K124 HydrophobicContact CZ-CD 3.99Å; F63-K124 HydrophobicContact CZ-CG 3.84Å; K64-K124 CarbonylContact O-C 3.57Å; K64-K124 VanDerWaalsContact O-CA 3.31Å; K64-K124 WeakPolarHBondContact O-CA 3.33Å; M65-K124 HydrophobicContact CE-CG 4.38Å; M65-K124 HydrophobicContact CG-CG 4.17Å; F118-K124 CarbonylContact C-O 3.38Å; F118-K124 WeakPolarHBondContact CA-O 3.4Å; S119-K124 PolarHBondContact N-O 2.93Å; S119-K124 WeakPolarHBondContact OG-CB 3.33Å; S119-K124 PolarHBondContact OG-N 2.84Å; S119-K124 PolarHBondContact OG-O 3.09Å; K124-Y126 HydrophobicContact CB-CE2 3.78Å; K124-Y126 HydrophobicContact CD-CE2 4.44Å
125A95.8Very high95.9Very high0 Ų034.1 Ų34.10%017%0.174CC..EExtended strand (participates in β ladder)trans-113.6133.3172.100000109.9F63 K64 I72 L116 A117 F118F63-A125 VanDerWaalsContact CA-O 3.32Å; F63-A125 WeakPolarHBondContact CA-O 3.39Å; F63-A125 WeakPolarHBondContact CD2-O 3.48Å; K64-A125 HydrophobicContact CB-CB 4.35Å; K64-A125 PolarHBondContact N-O 2.91Å; K64-A125 PolarHBondContact O-N 2.99Å; I72-A125 HydrophobicContact CG2-CB 3.82Å; L116-A125 HydrophobicContact CD1-CB 4.06Å; A117-A125 WeakPolarHBondContact O-CA 3.44Å; F118-A125 HydrophobicContact CD1-CB 3.82Å; F118-A125 HydrophobicContact CE1-CB 3.65Å
126Y96.1Very high95.6Very high4 Ų435.3 Ų35.32%0.01618%0.181CC..EExtended strand (participates in β ladder)trans-116.5124.2177.1-63.3-97.7000108.3L43 A44 E47 L49 F63 L116 A117 K124L43-Y126 HydrophobicContact CB-CD1 3.74Å; L43-Y126 HydrophobicContact CB-CE1 4.49Å; L43-Y126 HydrophobicContact CB-CG 4.14Å; A44-Y126 HydrophobicContact CB-CD2 3.67Å; A44-Y126 HydrophobicContact CB-CE2 4.17Å; A44-Y126 HydrophobicContact CB-CG 4.25Å; E47-Y126 VanDerWaalsContact C-OH 3.27Å; E47-Y126 VanDerWaalsContact CA-OH 3.24Å; E47-Y126 WeakPolarHBondContact CA-OH 3.5Å; E47-Y126 PolarHBondContact O-OH 3.37Å; L49-Y126 HydrophobicContact CD1-CD1 3.87Å; F63-Y126 AromaticContact CD2-CD1 3.85Å; F63-Y126 HydrophobicContact CD2-CD1 3.85Å; F63-Y126 AromaticContact CD2-CE1 3.61Å; F63-Y126 HydrophobicContact CD2-CE1 3.61Å; F63-Y126 HydrophobicContact CD2-CE2 4.35Å; F63-Y126 HydrophobicContact CD2-CG 4.32Å; F63-Y126 AromaticContact CD2-CZ 3.89Å; F63-Y126 HydrophobicContact CE2-CD1 4.3Å; F63-Y126 AromaticContact CE2-CE1 3.67Å; F63-Y126 HydrophobicContact CE2-CE1 3.67Å; F63-Y126 AromaticContact CE2-CE2 3.95Å; F63-Y126 HydrophobicContact CE2-CE2 3.95Å; F63-Y126 AromaticContact CE2-CZ 3.47Å; F63-Y126 VanDerWaalsContact CE2-CZ 3.47Å; L116-Y126 WeakPolarHBondContact CA-O 3.48Å; A117-Y126 PolarHBondContact N-O 3.24Å; A117-Y126 PolarHBondContact O-N 2.99Å; K124-Y126 HydrophobicContact CB-CE2 3.78Å; K124-Y126 HydrophobicContact CD-CE2 4.44Å
127V97.3Very high95Very high0 Ų040 Ų400%020%0.201CC..EExtended strand (participates in β ladder)trans-124.6138.1-175.5-177.20000110.2F6 L61 A62 I72 V77 W81 G115 L116F6-V127 HydrophobicContact CE1-CG1 3.94Å; F6-V127 HydrophobicContact CZ-CG1 3.62Å; F6-V127 HydrophobicContact CZ-CG2 4.12Å; L61-V127 WeakPolarHBondContact CA-O 3.37Å; A62-V127 HydrophobicContact CB-CB 4.12Å; A62-V127 PolarHBondContact N-O 3.44Å; A62-V127 PolarHBondContact O-N 3.44Å; I72-V127 HydrophobicContact CD1-CG2 4.23Å; I72-V127 HydrophobicContact CG2-CG2 4.47Å; V77-V127 HydrophobicContact CG1-CG1 3.94Å; V77-V127 HydrophobicContact CG2-CB 4.43Å; V77-V127 HydrophobicContact CG2-CG1 4.14Å; V77-V127 HydrophobicContact CG2-CG2 4.04Å; W81-V127 HydrophobicContact CH2-CG1 4.25Å; W81-V127 HydrophobicContact CZ2-CG1 4.37Å; G115-V127 WeakPolarHBondContact O-CA 3.13Å; G115-V127 WeakPolarHBondContact O-CG1 3.41Å; L116-V127 HydrophobicContact CD1-CG2 3.7Å
128V97Very high94.4Very high0 Ų041.5 Ų41.50%022%0.217CC..EExtended strand (participates in β ladder)trans-127.9130.1177.8-176.20000108.6A36 W39 A40 L43 E59 N60 L61 F114 G115 R130A36-V128 HydrophobicContact CB-CB 4.28Å; A36-V128 HydrophobicContact CB-CG1 4.18Å; W39-V128 HydrophobicContact CB-CG1 4.41Å; W39-V128 HydrophobicContact CB-CG2 4.2Å; W39-V128 HydrophobicContact CG-CG2 4.32Å; A40-V128 HydrophobicContact CB-CG2 3.89Å; L43-V128 HydrophobicContact CD1-CG2 3.68Å; E59-V128 HydrophobicContact CG-CG1 4.15Å; N60-V128 CarbonylContact O-C 3.57Å; N60-V128 WeakPolarHBondContact O-CA 3.42Å; L61-V128 HydrophobicContact CD2-CB 4.21Å; L61-V128 HydrophobicContact CD2-CG1 4.06Å; L61-V128 HydrophobicContact CD2-CG2 3.74Å; F114-V128 CarbonylContact C-O 3.58Å; F114-V128 VanDerWaalsContact CA-O 3.3Å; F114-V128 WeakPolarHBondContact CA-O 3.35Å; G115-V128 PolarHBondContact N-O 3.23Å; G115-V128 PolarHBondContact O-N 3.12Å; V128-R130 HydrophobicContact CG1-CG 4.41Å
129G97.7Very high93.9Very high0 Ų043.9 Ų43.90%023%0.233CC..EExtended strand (participates in β ladder)trans-111.9131.9166.500000110E59 N60E59-G129 CarbonylContact C-O 3.54Å; E59-G129 VanDerWaalsContact CA-O 3.28Å; E59-G129 WeakPolarHBondContact CA-O 3.45Å; N60-G129 PolarHBondContact N-O 3.14Å; N60-G129 PolarHBondContact O-N 3.1Å
130R97.6Very high93.7Very high1 Ų144.5 Ų44.50%0.00424%0.236CC..EExtended strand (participates in β ladder)trans-112.7141.8177.6-69.4-78.5-173.6-138.7-7.8109.7L32 A36 S52 Y57 G58 E59 A112 G113 V128L32-R130 HydrophobicContact CB-CB 4.09Å; L32-R130 HydrophobicContact CD2-CB 4.19Å; A36-R130 HydrophobicContact CB-CB 4.44Å; A36-R130 HydrophobicContact CB-CG 3.7Å; S52-R130 VanDerWaalsContact CB-NH2 3.3Å; S52-R130 PolarHBondContact OG-NH1 3.07Å; S52-R130 PolarHBondContact OG-NH2 2.9Å; S52-R130 VanDerWaalsContact OG-NH2 3.07Å; Y57-R130 VanDerWaalsContact CD2-CZ 3.5Å; Y57-R130 VanDerWaalsContact CE2-NE 3.26Å; Y57-R130 VanDerWaalsContact CZ-CZ 3.48Å; G58-R130 WeakPolarHBondContact O-CA 3.39Å; E59-R130 VanDerWaalsContact CG-NH1 3.32Å; E59-R130 IonicContact OE1-NH1 2.77Å; E59-R130 IonicContact OE2-CZ 2.84Å; E59-R130 IonicContact OE2-NH1 2.73Å; E59-R130 PolarHBondContact OE2-NH1 3.18Å; E59-R130 IonicContact OE2-NH2 3.43Å; E59-R130 PolarHBondContact OE2-NH2 3.38Å; A112-R130 CarbonylContact C-O 3.58Å; A112-R130 WeakPolarHBondContact CA-O 3.27Å; A112-R130 WeakPolarHBondContact CB-O 3.43Å; G113-R130 PolarHBondContact N-O 3.01Å; G113-R130 PolarHBondContact O-N 3.12Å; V128-R130 HydrophobicContact CG1-CG 4.41Å
131Y98.2Very high93.4Very high0 Ų038.8 Ų38.80%023%0.23CC..EExtended strand (participates in β ladder)trans-135.9140.9-174.2-55.8-87.7000112H14 L26 Y57 G58 N60 W81 Q103 T109 R111 A112H14-Y131 AromaticContact NE2-CE1 4Å; H14-Y131 PolarHBondContact NE2-OH 3.32Å; H14-Y131 VanDerWaalsContact NE2-OH 3.14Å; L26-Y131 HydrophobicContact CD1-CD1 4.47Å; Y57-Y131 WeakPolarHBondContact CB-O 3.37Å; G58-Y131 PolarHBondContact N-O 2.93Å; G58-Y131 PolarHBondContact O-N 2.81Å; N60-Y131 HydrophobicContact CB-CE2 3.78Å; N60-Y131 PolarHBondContact ND2-OH 3.42Å; W81-Y131 WeakPolarHBondContact CZ3-OH 3.47Å; Q103-Y131 HydrophobicContact CG-CD1 4.23Å; Q103-Y131 HydrophobicContact CG-CD2 3.29Å; Q103-Y131 HydrophobicContact CG-CE1 4.43Å; Q103-Y131 HydrophobicContact CG-CE2 3.55Å; Q103-Y131 HydrophobicContact CG-CG 3.66Å; T109-Y131 HydrophobicContact CG2-CD1 4.2Å; T109-Y131 HydrophobicContact CG2-CG 4.45Å; R111-Y131 WeakPolarHBondContact O-CA 3.44Å; A112-Y131 HydrophobicContact CB-CD1 4Å; A112-Y131 HydrophobicContact CB-CE1 4.27Å
132L97.2Very high93.3Very high46 Ų4642.3 Ų42.324%0.24124%0.236CC..EExtended strand (participates in β ladder)trans-145.1136.9177.9-165.668.6000111.8L32 D56 T110 R111L32-L132 HydrophobicContact CD1-CB 3.98Å; D56-L132 VanDerWaalsContact O-CD1 3.29Å; D56-L132 WeakPolarHBondContact O-CD1 3.49Å; T110-L132 PolarHBondContact N-O 2.99Å; T110-L132 PolarHBondContact OG1-O 3.47Å; R111-L132 HydrophobicContact CB-CB 4.46Å; R111-L132 PolarHBondContact N-O 3.36Å; R111-L132 PolarHBondContact O-N 3.25Å
133P96.2Very high93.3Very high63 Ų6337.2 Ų37.241%0.40921%0.213SC..SBendcis-51.2153.5-18.4-26.134.4000113.3S108 T109S108-P133 WeakPolarHBondContact O-CD 3.49Å; T109-P133 PolarHBondContact OG1-O 2.67Å
134V94.3Very high93.3Very high34 Ų3436.2 Ų36.221%0.20621%0.206CC..  trans-58.7133.8177.453.90000111.6Y57 K137Y57-V134 VanDerWaalsContact O-CG2 3.25Å; Y57-V134 WeakPolarHBondContact O-CG2 3.46Å; V134-K137 HydrophobicContact CG1-CD 3.76Å; V134-K137 HydrophobicContact CG2-CD 4.12Å; V134-K137 HydrophobicContact CG2-CG 4.35Å
135G93.1Very high93.3Very high3 Ų335.6 Ų35.63%0.03121%0.206CC..  trans-90.1-170.8174.500000112.7Q103 K137Q103-G135 VanDerWaalsContact OE1-CA 3.3Å; G135-K137 PolarHBondContact O-N 2.95Å
136N91Very high93.1Very high25 Ų2540.7 Ų40.713%0.13423%0.23CC..SBendtrans57.913.4175.1-60.7-18.1000115.7R99 T102 Q103 W106 F140R99-N136 PolarHBondContact O-ND2 3.11Å; T102-N136 VanDerWaalsContact CB-OD1 3.29Å; T102-N136 WeakPolarHBondContact CB-OD1 3.37Å; T102-N136 PolarHBondContact OG1-OD1 2.94Å; Q103-N136 PolarHBondContact N-OD1 2.99Å; W106-N136 VanDerWaalsContact CH2-N 3.33Å; W106-N136 VanDerWaalsContact CZ3-N 3.34Å; N136-F140 HydrophobicContact CB-CZ 4.19Å
137K85.6Confident92.7Very high112 Ų11243.4 Ų43.449%0.48724%0.24SC..SBendtrans-10687.6175.3-66.7-172.5-174.9176.20109.8N55 V134 G135N55-K137 PolarHBondContact O-NZ 2.62Å; V134-K137 HydrophobicContact CG1-CD 3.76Å; V134-K137 HydrophobicContact CG2-CD 4.12Å; V134-K137 HydrophobicContact CG2-CG 4.35Å; G135-K137 PolarHBondContact O-N 2.95Å
138G84.2Confident92.2Very high40 Ų4048.9 Ų48.941%0.41227%0.266SS..SBendtrans65.6-169.9177.700000114.1W106 F140W106-G138 WeakPolarHBondContact CH2-O 3.47Å; W106-G138 WeakPolarHBondContact CZ2-O 3.21Å; G138-F140 WeakPolarHBondContact O-CD2 3.42Å; G138-F140 PolarHBondContact O-N 2.95Å
139D87Confident91Very high126 Ų12649.7 Ų49.767%0.67427%0.274SS*.  trans48.431.1171.3-60.4-20.6000117G141 W142 N143D139-G141 VanDerWaalsContact C-N 3.27Å; D139-G141 PolarHBondContact O-N 3.38Å; D139-W142 PolarHBondContact O-N 2.8Å; D139-W142 VanDerWaalsContact O-N 3.08Å; D139-N143 WeakPolarHBondContact CB-ND2 3.49Å; D139-N143 WeakPolarHBondContact O-CB 3.48Å; D139-N143 PolarHBondContact O-N 2.87Å; D139-N143 PolarHBondContact O-ND2 3.18Å; D139-N143 VanDerWaalsContact O-ND2 3.14Å
140F90.6Very high89.4Confident16 Ų1655.1 Ų55.17%0.0730%0.302CS..Hα-helixtrans-59.4-37.1-178.5-75.1-96.9000112.6S93 Y94 T102 W106 N136 G138 W142 N143 V144S93-F140 WeakPolarHBondContact O-CB 3.28Å; S93-F140 WeakPolarHBondContact O-CD1 3.22Å; S93-F140 WeakPolarHBondContact O-CD2 3.39Å; S93-F140 WeakPolarHBondContact O-CE1 3.41Å; S93-F140 WeakPolarHBondContact O-CG 3.47Å; Y94-F140 AromaticContact CD2-CE1 3.98Å; Y94-F140 HydrophobicContact CD2-CE1 3.98Å; Y94-F140 HydrophobicContact CD2-CE2 4.29Å; Y94-F140 AromaticContact CD2-CZ 3.51Å; Y94-F140 HydrophobicContact CD2-CZ 3.51Å; Y94-F140 HydrophobicContact CE2-CZ 4.44Å; Y94-F140 HydrophobicContact CG-CZ 4.26Å; T102-F140 HydrophobicContact CG2-CD1 4.45Å; T102-F140 HydrophobicContact CG2-CE1 4.36Å; W106-F140 AromaticContact CH2-CD1 3.89Å; W106-F140 HydrophobicContact CH2-CD1 3.89Å; W106-F140 HydrophobicContact CH2-CD2 4.15Å; W106-F140 AromaticContact CH2-CE1 3.95Å; W106-F140 HydrophobicContact CH2-CE1 3.95Å; W106-F140 HydrophobicContact CH2-CE2 4.18Å; W106-F140 AromaticContact CH2-CG 3.98Å; W106-F140 HydrophobicContact CH2-CG 3.98Å; W106-F140 HydrophobicContact CH2-CZ 4.05Å; W106-F140 AromaticContact CZ3-CD1 3.54Å; W106-F140 HydrophobicContact CZ3-CD1 3.54Å; W106-F140 AromaticContact CZ3-CE1 3.58Å; W106-F140 HydrophobicContact CZ3-CE1 3.58Å; W106-F140 HydrophobicContact CZ3-CG 4.08Å; W106-F140 HydrophobicContact CZ3-CZ 4.11Å; N136-F140 HydrophobicContact CB-CZ 4.19Å; G138-F140 WeakPolarHBondContact O-CD2 3.42Å; G138-F140 PolarHBondContact O-N 2.95Å; F140-W142 PolarHBondContact O-N 2.7Å; F140-N143 PolarHBondContact O-N 2.97Å; F140-V144 HydrophobicContact CB-CG2 4.45Å; F140-V144 HydrophobicContact CD1-CG2 3.81Å; F140-V144 WeakPolarHBondContact O-CA 3.37Å; F140-V144 WeakPolarHBondContact O-CB 3.31Å; F140-V144 PolarHBondContact O-N 3.17Å
141G87.9Confident87.3Confident78 Ų7862.8 Ų62.880%0.80434%0.336SS*.Hα-helixtrans-61.4-27.2177.800000113.9D139D139-G141 VanDerWaalsContact C-N 3.27Å; D139-G141 PolarHBondContact O-N 3.38Å
142W91.1Very high84.8Confident163 Ų16372.3 Ų72.362%0.61737%0.371SS*.Hα-helixtrans-91.6-38.7174.9174.5-107.4000112.5K107 D139 F140K107-W142 HydrophobicContact CD-CZ2 4.26Å; K107-W142 VanDerWaalsContact NZ-CH2 3.28Å; K107-W142 VanDerWaalsContact NZ-CZ2 3.33Å; D139-W142 PolarHBondContact O-N 2.8Å; D139-W142 VanDerWaalsContact O-N 3.08Å; F140-W142 PolarHBondContact O-N 2.7Å
143N94.7Very high82.2Confident6 Ų676.7 Ų76.73%0.03241%0.406CS..Hα-helixtrans-90.2-16.7-171.1-74.7-67.9000115I105 W106 K107 S108 D139 F140 P145I105-N143 VanDerWaalsContact O-O 3.1Å; W106-N143 WeakPolarHBondContact CA-O 3.46Å; W106-N143 HydrophobicContact CD2-CB 3.44Å; W106-N143 VanDerWaalsContact CD2-CB 3.44Å; W106-N143 HydrophobicContact CE3-CB 3.75Å; W106-N143 HydrophobicContact CG-CB 4.01Å; W106-N143 HydrophobicContact CH2-CB 3.91Å; W106-N143 HydrophobicContact CZ2-CB 3.59Å; W106-N143 HydrophobicContact CZ3-CB 3.97Å; W106-N143 PolarHBondContact NE1-OD1 3.07Å; K107-N143 PolarHBondContact N-O 3.07Å; S108-N143 VanDerWaalsContact CB-OD1 3.26Å; S108-N143 WeakPolarHBondContact CB-OD1 3.15Å; S108-N143 PolarHBondContact N-OD1 3.48Å; S108-N143 VanDerWaalsContact N-OD1 3.07Å; S108-N143 PolarHBondContact OG-OD1 2.84Å; D139-N143 WeakPolarHBondContact CB-ND2 3.49Å; D139-N143 WeakPolarHBondContact O-CB 3.48Å; D139-N143 PolarHBondContact O-N 2.87Å; D139-N143 PolarHBondContact O-ND2 3.18Å; D139-N143 VanDerWaalsContact O-ND2 3.14Å; F140-N143 PolarHBondContact O-N 2.97Å; N143-P145 VanDerWaalsContact O-CD 3.24Å; N143-P145 WeakPolarHBondContact O-CD 3.01Å
144V94Very high79.7Confident7 Ų776.7 Ų76.74%0.04242%0.417CS..SBendtrans-120.269.4-179.6-169.90000109F90 F101 T102 I105 W106 F140F90-V144 HydrophobicContact CE1-CG1 4.28Å; F101-V144 HydrophobicContact CE1-CG1 4.1Å; T102-V144 HydrophobicContact CG2-CG1 3.94Å; T102-V144 HydrophobicContact CG2-CG2 3.97Å; I105-V144 HydrophobicContact CD1-CG1 3.66Å; I105-V144 HydrophobicContact CG1-CG1 4.21Å; W106-V144 HydrophobicContact CE3-CG2 3.74Å; W106-V144 HydrophobicContact CZ3-CG2 3.59Å; F140-V144 HydrophobicContact CB-CG2 4.45Å; F140-V144 HydrophobicContact CD1-CG2 3.81Å; F140-V144 WeakPolarHBondContact O-CA 3.37Å; F140-V144 WeakPolarHBondContact O-CB 3.31Å; F140-V144 PolarHBondContact O-N 3.17Å
145P92.5Very high77.2Confident23 Ų2381.2 Ų81.215%0.14944%0.44CS..PPolyproline II helixtrans-63.3149.4-18022.1-28.3000111.6H21 C23 N143H21-P145 HydrophobicContact CB-CG 4.17Å; H21-P145 PolarHBondContact ND1-O 3.47Å; H21-P145 WeakPolarHBondContact O-CG 3.45Å; C23-P145 WeakPolarHBondContact SG-CG 3.22Å; N143-P145 VanDerWaalsContact O-CD 3.24Å; N143-P145 WeakPolarHBondContact O-CD 3.01Å
146H91.3Very high74.6Confident108 Ų10888.5 Ų88.550%0.548%0.478SS..PPolyproline II helixtrans-56.8156.2173.1-73.4-102.3000111.4F90 Q148F90-H146 WeakPolarHBondContact CB-CE1 3.14Å; F90-H146 AromaticContact CG-CE1 3.81Å; F90-H146 AromaticContact CG-ND1 3.74Å; H146-Q148 WeakPolarHBondContact O-CG 3.4Å; H146-Q148 PolarHBondContact O-N 3.11Å
147Y89.2Confident72.2Confident60 Ų6096.4 Ų96.424%0.23551%0.514CS..PPolyproline II helixtrans-57.8124170.3178.4-100000110.6L20 G149 F200 L204L20-Y147 HydrophobicContact CB-CD2 3.94Å; L20-Y147 HydrophobicContact CB-CE2 3.7Å; L20-Y147 HydrophobicContact CD1-CE2 4.1Å; L20-Y147 HydrophobicContact CD2-CE2 4.25Å; L20-Y147 HydrophobicContact CG-CE2 4.22Å; Y147-G149 VanDerWaalsContact CE1-CA 3.49Å; Y147-G149 VanDerWaalsContact CZ-CA 3.5Å; Y147-F200 HydrophobicContact CD1-CE2 4.13Å; Y147-F200 HydrophobicContact CE1-CE2 4.3Å; Y147-F200 HydrophobicContact CG-CE2 4.32Å; Y147-L204 HydrophobicContact CD2-CD2 3.68Å; Y147-L204 HydrophobicContact CE2-CD2 3.16Å
148Q85.6Confident69.9Low116 Ų11695.7 Ų95.754%0.54252%0.524SS..  trans-102.1-6.7-177.7-61.4-177.4-1.200113.1L20 H21 H146L20-Q148 PolarHBondContact O-N 3.12Å; H21-Q148 PolarHBondContact O-NE2 3.31Å; H146-Q148 WeakPolarHBondContact O-CG 3.4Å; H146-Q148 PolarHBondContact O-N 3.11Å
149G71.3Confident67.5Low16 Ų16104.8 Ų104.817%0.16555%0.545CS..  trans83.4172.8-17400000113.7Y147 K151Y147-G149 VanDerWaalsContact CE1-CA 3.49Å; Y147-G149 VanDerWaalsContact CZ-CA 3.5Å; G149-K151 PolarHBondContact O-N 3.26Å
150I64.5Low64.9Low115 Ų115104.7 Ų104.759%0.5955%0.553SS**  trans-75.2115.7172.4-58.7171.2000107.6L20 R152L20-I150 HydrophobicContact CD2-CG1 3.69Å; I150-R152 PolarHBondContact O-N 3.39Å
151K54.7Low62.2Low162 Ų162110 Ų11070%0.70459%0.587SS**  trans-61110.4168.4-69.1-172.6178.8-175.30108.2G149 S153G149-K151 PolarHBondContact O-N 3.26Å; K151-S153 PolarHBondContact O-N 3.41Å
152R45.5Very low59.8Low200 Ų200110.1 Ų110.176%0.75559%0.589SS**  trans-72.5130.4173.2-68.7-177.4178.4-174.6-0.5107.1I150 G154 D155I150-R152 PolarHBondContact O-N 3.39Å; R152-G154 PolarHBondContact O-N 2.62Å; R152-D155 PolarHBondContact O-N 2.95Å
153S43Very low57.3Low138 Ų138110.4 Ų110.497%0.96560%0.602SS**THydrogen-bonded Turntrans-60.386.9170.524.60000109K151K151-S153 PolarHBondContact O-N 3.41Å
154G43.7Very low54.5Low62 Ų62113.5 Ų113.564%0.63964%0.635SS**THydrogen-bonded Turntrans167.8-22.5-169.900000113.3R152 N156R152-G154 PolarHBondContact O-N 2.62Å; G154-N156 PolarHBondContact O-N 3.32Å
155D42Very low51.6Low129 Ų129117.1 Ų117.169%0.6967%0.674SS**  trans-8061.5174.1-54.7-28.4000110.2R152 E157R152-D155 PolarHBondContact O-N 2.95Å; D155-E157 PolarHBondContact O-N 2.95Å
156N38.2Very low48.8Very low156 Ų156121.6 Ų121.683%0.83471%0.706SS**  trans-70.2106.4163-84.8-25000107.1G154 S158G154-N156 PolarHBondContact O-N 3.32Å; N156-S158 PolarHBondContact O-N 2.96Å
157E39.1Very low46.2Very low191 Ų191123.5 Ų123.589%0.89373%0.725SS**  trans-51.2111.2174.8-158.1170.9-174.500109.6D155 R159D155-E157 PolarHBondContact O-N 2.95Å; E157-R159 PolarHBondContact O-N 3.13Å; E157-R159 VanDerWaalsContact O-N 3.14Å
158S37.6Very low43.5Very low98 Ų98129.3 Ų129.369%0.68575%0.752SS**  trans-50.2113.8175.9162.60000110.2N156 C160N156-S158 PolarHBondContact O-N 2.96Å; S158-C160 PolarHBondContact O-N 3.28Å
159R35.1Very low41.1Very low230 Ų230132.3 Ų132.387%0.86877%0.771SS**  trans-53.7104.9161.2-93.7176.9168.9156.4-3.6109.1E157 T161E157-R159 PolarHBondContact O-N 3.13Å; E157-R159 VanDerWaalsContact O-N 3.14Å; R159-T161 PolarHBondContact O-N 2.79Å; R159-T161 VanDerWaalsContact O-N 3.14Å
160C32.2Very low39.3Very low124 Ų124138.5 Ų138.584%0.83880%0.8SS**  trans-75.793159.7-68.60000108.4S158S158-C160 PolarHBondContact O-N 3.28Å
161T34Very low38Very low128 Ų128141 Ų14179%0.78581%0.814SS**  trans-123.397.3159.550.70000106.8R159R159-T161 PolarHBondContact O-N 2.79Å; R159-T161 VanDerWaalsContact O-N 3.14Å
162G36.2Very low37.1Very low81 Ų81139.8 Ų139.884%0.83582%0.821SS**  trans-14687.5178.900000108.9
163D38.6Very low36.5Very low169 Ų169134 Ų13490%0.90482%0.824SS**  trans-70.3147.2170.6-178.922.9000110.7
164G36.3Very low35.9Very low70 Ų70133.4 Ų133.472%0.72282%0.819SS**  trans99.1116.8155.600000119.1
165G33.8Very low35.3Very low84 Ų84134.2 Ų134.287%0.86682%0.82SS**  trans114.593.1137.400000117.7
166S33.3Very low34.9Very low117 Ų117135.1 Ų135.182%0.81883%0.825SS**  trans-79.4135166.8-1660000111.1
167T36.8Very low34.6Very low147 Ų147134.5 Ų134.590%0.90282%0.822SS**  trans-161.6134.4145.710.20000111.3
168K33Very low34.2Very low183 Ų183133.4 Ų133.480%0.79682%0.822SS**  trans-73.3143.9-172.3-64.1168.3172.1175.10113
169L34.9Very low33.9Very low178 Ų178134.5 Ų134.593%0.93283%0.825SS**  trans-143.6118140.4-77.8178.1000108.8
170N33.1Very low33.8Very low147 Ų147129.1 Ų129.179%0.78682%0.822SS**  trans-94.2130.1168.3-63.8-17.9000107.1
171D36.4Very low33.7Very low166 Ų166135.1 Ų135.189%0.88883%0.827SS**  trans-159.4141.3146.2-114.4-23.9000111.7
172T35.7Very low33.4Very low138 Ų138132.1 Ų132.185%0.84782%0.821SS**  trans-77.3137.1-167.547.50000113.6
173G32.9Very low33Very low78 Ų78136 Ų13680%0.80482%0.823SS**  trans179.8109.3169.400000114.4
174S31.8Very low32.5Very low125 Ų125134.8 Ų134.887%0.87481%0.814SS**  trans-13.5136.4170.4-79.30000121.6
175A30.8Very low32.2Very low80 Ų80139.7 Ų139.766%0.66181%0.812SS**  trans78.7122136.900000120.1
176N32.4Very low32Very low148 Ų148140.4 Ų140.479%0.79180%0.803SS**  trans107.4127.3153-51.8-35.5000116.2
177N32.8Very low32Very low143 Ų143139.5 Ų139.577%0.76579%0.789SS**  trans95.285.5169.9-56.3-26.7000117.4
178D31.1Very low31.8Very low168 Ų168137.4 Ų137.490%0.89877%0.772SS**  trans-117.584.1140.5-95.1-32.2000108.9S180D178-S180 PolarHBondContact O-N 3.18Å; D178-S180 VanDerWaalsContact O-N 3.13Å
179T30.3Very low32.2Very low121 Ų121134.7 Ų134.774%0.74276%0.757SS**  trans-69.991.8160.736.40000108.9R181T179-R181 VanDerWaalsContact C-N 3.34Å; T179-R181 PolarHBondContact O-N 3.27Å
180S32.5Very low32.3Very low116 Ų116133.6 Ų133.681%0.81175%0.752SS**  trans-66.495.3163.7-83.20000109.8D178 G182D178-S180 PolarHBondContact O-N 3.18Å; D178-S180 VanDerWaalsContact O-N 3.13Å; S180-G182 VanDerWaalsContact C-N 3.35Å; S180-G182 PolarHBondContact O-N 3.01Å
181R30.6Very low32.3Very low251 Ų251131 Ų13195%0.94775%0.746SS**  trans-50.596.1154.7-80.4174.5155.3122.2-7108.6T179T179-R181 VanDerWaalsContact C-N 3.34Å; T179-R181 PolarHBondContact O-N 3.27Å
182G28.5Very low32.3Very low64 Ų64125.2 Ų125.266%0.6671%0.714SS**  trans-163.2-14.3-179.800000117.1S180S180-G182 VanDerWaalsContact C-N 3.35Å; S180-G182 PolarHBondContact O-N 3.01Å
183N28.3Very low32.3Very low164 Ų164128 Ų12888%0.87771%0.709SS**  trans-126.383.9-174.8-87.6-1.4000112.4
184M27.9Very low33Very low142 Ų142128.3 Ų128.370%0.770%0.699SS**SBendtrans-161.993.9165.7-141.81766100104.2
185Y29.9Very low33.3Very low173 Ų173125.6 Ų125.668%0.67868%0.68SS**  cis-153.596.941.6-59.5-94.6000108
186S28.5Very low34.3Very low99 Ų99127.1 Ų127.169%0.69267%0.673SS**  trans-85.7105158.31780000105.7D188S186-D188 PolarHBondContact O-N 3.27Å
187L34.8Very low35.4Very low98 Ų98124.9 Ų124.951%0.51365%0.654SS.*  trans-71.681.7170.8-73.6178.6000107.6R189 I192L187-R189 PolarHBondContact O-N 3.33Å; L187-I192 HydrophobicContact CB-CD1 3.96Å; L187-I192 HydrophobicContact CD1-CD1 4.3Å; L187-I192 HydrophobicContact CD2-CD1 4.06Å; L187-I192 HydrophobicContact CD2-CG1 4.33Å; L187-I192 HydrophobicContact CG-CD1 4.33Å
188D31.8Very low36.5Very low103 Ų103124.8 Ų124.855%0.55164%0.643SS**  trans-57.7111.6169.2-160-11.5000107.4S186 N190 S191S186-D188 PolarHBondContact O-N 3.27Å; D188-N190 PolarHBondContact O-N 3.45Å; D188-S191 PolarHBondContact O-N 3.45Å
189R40.4Very low37.7Very low126 Ų126120.1 Ų120.148%0.47562%0.623SS.*THydrogen-bonded Turntrans-52.4-18.7-170.8-90.9-177.3175.2-170.2-1.4113.3Y87 H95 L187Y87-R189 PolarHBondContact O-NH2 3.06Å; H95-R189 PolarHBondContact CD2-NH2 2.97Å; H95-R189 PolarHBondContact NE2-NH2 3.26Å; H95-R189 VanDerWaalsContact NE2-NH2 3.17Å; L187-R189 PolarHBondContact O-N 3.33Å
190N37.2Very low39.3Very low156 Ų156116.5 Ų116.583%0.83460%0.597SS**THydrogen-bonded Turntrans-92.9-4.5-177.8-66.7-34.6000115.1D188D188-N190 PolarHBondContact O-N 3.45Å
191S33Very low41Very low93 Ų93112.4 Ų112.465%0.6556%0.564SS**THydrogen-bonded Turntrans-111.8-7.2-173.3-169.30000115D188 R193D188-S191 PolarHBondContact O-N 3.45Å; S191-R193 PolarHBondContact O-N 3.42Å
192I36.6Very low42.7Very low44 Ų44106.5 Ų106.523%0.22655%0.547CS..  trans-79.688.1-169.3-38.3177.9000111.5L187 H196 R197L187-I192 HydrophobicContact CB-CD1 3.96Å; L187-I192 HydrophobicContact CD1-CD1 4.3Å; L187-I192 HydrophobicContact CD2-CD1 4.06Å; L187-I192 HydrophobicContact CD2-CG1 4.33Å; L187-I192 HydrophobicContact CG-CD1 4.33Å; I192-H196 HydrophobicContact CG2-CB 3.85Å; I192-R197 HydrophobicContact CB-CG 4.38Å; I192-R197 HydrophobicContact CG2-CB 4.46Å; I192-R197 HydrophobicContact CG2-CG 3.43Å; I192-R197 VanDerWaalsContact CG2-CG 3.43Å
193R35.6Very low44.4Very low195 Ų195106 Ų10674%0.73653%0.534SS*.  trans-51141161.9-76-176.9175.1-178.9-1109.5S191 S195 H196S191-R193 PolarHBondContact O-N 3.42Å; R193-S195 PolarHBondContact O-N 3.27Å; R193-H196 PolarHBondContact O-N 3.45Å
194S47.7Very low46.3Very low86 Ų8698.2 Ų98.260%0.60149%0.492SS*.Hα-helixtrans-48.8-30-179.854.70000114.5R197 R198S194-R197 PolarHBondContact O-N 2.79Å; S194-R198 PolarHBondContact O-N 3.48Å
195S38.7Very low48Very low67 Ų6793.5 Ų93.547%0.46948%0.479SS..Hα-helixtrans-64.7-40.717558.70000113.5R193 R198 S199R193-S195 PolarHBondContact O-N 3.27Å; S195-R198 PolarHBondContact O-N 2.93Å; S195-S199 PolarHBondContact O-N 3.39Å
196H50.9Low49.6Very low113 Ų11385.8 Ų85.852%0.52345%0.45SS..Hα-helixtrans-68.4-36.3178.2-70.5103.4000111.3I192 R193 F200I192-H196 HydrophobicContact CG2-CB 3.85Å; R193-H196 PolarHBondContact O-N 3.45Å; H196-F200 VanDerWaalsContact O-CB 3.27Å; H196-F200 WeakPolarHBondContact O-CB 3.39Å; H196-F200 PolarHBondContact O-N 3.33Å
197R56.8Low51Low101 Ų10183.3 Ų83.338%0.38143%0.433SS..Hα-helixtrans-62.7-43.5172.8-73.4-163.7167.8-178.1-8.9112.1I192 S194 F200 R201I192-R197 HydrophobicContact CB-CG 4.38Å; I192-R197 HydrophobicContact CG2-CB 4.46Å; I192-R197 HydrophobicContact CG2-CG 3.43Å; I192-R197 VanDerWaalsContact CG2-CG 3.43Å; S194-R197 PolarHBondContact O-N 2.79Å; R197-F200 PolarHBondContact O-N 3.46Å; R197-R201 WeakPolarHBondContact O-CB 3.16Å; R197-R201 VanDerWaalsContact O-CG 3.27Å; R197-R201 WeakPolarHBondContact O-CG 3.18Å; R197-R201 PolarHBondContact O-N 2.89Å
198R54.5Low51.6Low140 Ų14083.7 Ų83.753%0.52843%0.432SS..Hα-helixtrans-62.7-51.5176.8-71.7-170.3-143.5175.33.4111.7S194 S195 F200 R201 E202S194-R198 PolarHBondContact O-N 3.48Å; S195-R198 PolarHBondContact O-N 2.93Å; R198-F200 VanDerWaalsContact C-N 3.26Å; R198-F200 PolarHBondContact O-N 3.39Å; R198-R201 PolarHBondContact O-N 2.86Å; R198-R201 VanDerWaalsContact O-N 3.11Å; R198-E202 WeakPolarHBondContact O-CB 3.25Å; R198-E202 WeakPolarHBondContact O-CG 3.46Å; R198-E202 PolarHBondContact O-N 3.48Å
199S57.7Low52.2Low71 Ų7188.8 Ų88.850%0.49744%0.443SS..Hα-helixtrans-55.2-42.1177154.20000112.1S195 S203S195-S199 PolarHBondContact O-N 3.39Å; S199-S203 WeakPolarHBondContact O-CB 3.14Å; S199-S203 PolarHBondContact O-N 2.85Å
200F62.9Low52.1Low44 Ų4483.6 Ų83.619%0.19343%0.426CS..Hα-helixtrans-64.5-49.1176.5-176.4-115.1000111.2I85 Y147 H196 R197 R198 E202 S203 L204I85-F200 HydrophobicContact CD1-CE1 4.29Å; I85-F200 HydrophobicContact CD1-CZ 4.13Å; I85-F200 HydrophobicContact CG2-CE1 4.39Å; Y147-F200 HydrophobicContact CD1-CE2 4.13Å; Y147-F200 HydrophobicContact CE1-CE2 4.3Å; Y147-F200 HydrophobicContact CG-CE2 4.32Å; H196-F200 VanDerWaalsContact O-CB 3.27Å; H196-F200 WeakPolarHBondContact O-CB 3.39Å; H196-F200 PolarHBondContact O-N 3.33Å; R197-F200 PolarHBondContact O-N 3.46Å; R198-F200 VanDerWaalsContact C-N 3.26Å; R198-F200 PolarHBondContact O-N 3.39Å; F200-E202 VanDerWaalsContact C-N 3.34Å; F200-E202 PolarHBondContact O-N 2.84Å; F200-S203 WeakPolarHBondContact O-CB 3.43Å; F200-S203 PolarHBondContact O-N 2.84Å; F200-S203 VanDerWaalsContact O-N 3.08Å; F200-S203 PolarHBondContact O-OG 2.83Å; F200-L204 HydrophobicContact CD1-CD1 3.7Å; F200-L204 HydrophobicContact CE1-CD1 3.36Å; F200-L204 HydrophobicContact CE1-CG 4.29Å; F200-L204 HydrophobicContact CE2-CD1 4.29Å; F200-L204 HydrophobicContact CE2-CD2 4.38Å; F200-L204 HydrophobicContact CE2-CG 4.39Å; F200-L204 HydrophobicContact CG-CD1 4.31Å; F200-L204 HydrophobicContact CZ-CD1 3.68Å; F200-L204 HydrophobicContact CZ-CD2 4.2Å; F200-L204 HydrophobicContact CZ-CG 4.21Å; F200-L204 VanDerWaalsContact O-CG 3.29Å; F200-L204 WeakPolarHBondContact O-CG 3.13Å; F200-L204 PolarHBondContact O-N 2.85Å
201R67.9Low51.9Low31 Ų3180.8 Ų80.812%0.11741%0.407CS..Hα-helixtrans-61-40.3178.2-70.7179.469.486.46.3113.2D86 R197 R198 L204 G205 L206D86-R201 IonicContact OD2-CZ 3.99Å; D86-R201 IonicContact OD2-NH1 3.87Å; D86-R201 PolarHBondContact OD2-NH1 2.77Å; R197-R201 WeakPolarHBondContact O-CB 3.16Å; R197-R201 VanDerWaalsContact O-CG 3.27Å; R197-R201 WeakPolarHBondContact O-CG 3.18Å; R197-R201 PolarHBondContact O-N 2.89Å; R198-R201 PolarHBondContact O-N 2.86Å; R198-R201 VanDerWaalsContact O-N 3.11Å; R201-L204 WeakPolarHBondContact O-CB 3.48Å; R201-L204 PolarHBondContact O-N 2.83Å; R201-G205 PolarHBondContact O-N 3.44Å; R201-L206 HydrophobicContact CB-CB 4.38Å; R201-L206 HydrophobicContact CG-CD1 4.37Å; R201-L206 PolarHBondContact O-N 3.03Å
202E67.6Low51.8Low127 Ų12778.3 Ų78.359%0.59339%0.389SS*.Hα-helixtrans-61.5-43.3173-73.1167.4-167.900111R198 F200 L204 G205R198-E202 WeakPolarHBondContact O-CB 3.25Å; R198-E202 WeakPolarHBondContact O-CG 3.46Å; R198-E202 PolarHBondContact O-N 3.48Å; F200-E202 VanDerWaalsContact C-N 3.34Å; F200-E202 PolarHBondContact O-N 2.84Å; E202-L204 PolarHBondContact O-N 3.04Å; E202-G205 PolarHBondContact O-N 3.35Å
203S63.1Low51.3Low54 Ų5485.5 Ų85.538%0.37841%0.414SS..Hα-helixtrans-64.6-25176.578.50000113.8S199 F200 G205S199-S203 WeakPolarHBondContact O-CB 3.14Å; S199-S203 PolarHBondContact O-N 2.85Å; F200-S203 WeakPolarHBondContact O-CB 3.43Å; F200-S203 PolarHBondContact O-N 2.84Å; F200-S203 VanDerWaalsContact O-N 3.08Å; F200-S203 PolarHBondContact O-OG 2.83Å; S203-G205 VanDerWaalsContact C-N 3.32Å
204L68.7Low50.8Low0 Ų084.4 Ų84.40%041%0.41CS..THydrogen-bonded Turntrans-82.8-10.9174.6-64.3171.3000112.8R16 L20 Y82 I85 Y147 F200 R201 E202 L206R16-L204 PolarHBondContact NH1-O 3.37Å; R16-L204 PolarHBondContact NH2-O 3.04Å; L20-L204 HydrophobicContact CD1-CD2 3.89Å; Y82-L204 HydrophobicContact CE1-CB 4.47Å; Y82-L204 HydrophobicContact CE1-CD1 3.86Å; Y82-L204 HydrophobicContact CE1-CD2 4.08Å; Y82-L204 HydrophobicContact CE1-CG 4.35Å; I85-L204 HydrophobicContact CG2-CD1 4.35Å; Y147-L204 HydrophobicContact CD2-CD2 3.68Å; Y147-L204 HydrophobicContact CE2-CD2 3.16Å; F200-L204 HydrophobicContact CD1-CD1 3.7Å; F200-L204 HydrophobicContact CE1-CD1 3.36Å; F200-L204 HydrophobicContact CE1-CG 4.29Å; F200-L204 HydrophobicContact CE2-CD1 4.29Å; F200-L204 HydrophobicContact CE2-CD2 4.38Å; F200-L204 HydrophobicContact CE2-CG 4.39Å; F200-L204 HydrophobicContact CG-CD1 4.31Å; F200-L204 HydrophobicContact CZ-CD1 3.68Å; F200-L204 HydrophobicContact CZ-CD2 4.2Å; F200-L204 HydrophobicContact CZ-CG 4.21Å; F200-L204 VanDerWaalsContact O-CG 3.29Å; F200-L204 WeakPolarHBondContact O-CG 3.13Å; F200-L204 PolarHBondContact O-N 2.85Å; R201-L204 WeakPolarHBondContact O-CB 3.48Å; R201-L204 PolarHBondContact O-N 2.83Å; E202-L204 PolarHBondContact O-N 3.04Å; L204-L206 VanDerWaalsContact C-N 3.28Å; L204-L206 HydrophobicContact CB-CD1 4.14Å; L204-L206 HydrophobicContact CB-CG 3.83Å; L204-L206 HydrophobicContact CD1-CD1 3.88Å
205G63.3Low49.7Very low42 Ų4286.4 Ų86.443%0.43341%0.414SS..THydrogen-bonded Turntrans71.520.3-171.900000113.4R201 E202 S203 S207R201-G205 PolarHBondContact O-N 3.44Å; E202-G205 PolarHBondContact O-N 3.35Å; S203-G205 VanDerWaalsContact C-N 3.32Å; G205-S207 PolarHBondContact O-N 2.82Å
206L63.3Low49.2Very low11 Ų1191.1 Ų91.16%0.05843%0.429CS..  trans-76.6125179.7-64.9177.2000110.1Q79 Y82 R201 L204 E208Q79-L206 HydrophobicContact CB-CD2 3.87Å; Q79-L206 HydrophobicContact CG-CD2 3.96Å; Y82-L206 HydrophobicContact CD1-CD1 4.09Å; Y82-L206 HydrophobicContact CD1-CD2 3.95Å; Y82-L206 HydrophobicContact CD1-CG 4.44Å; Y82-L206 HydrophobicContact CE1-CD1 4.42Å; R201-L206 HydrophobicContact CB-CB 4.38Å; R201-L206 HydrophobicContact CG-CD1 4.37Å; R201-L206 PolarHBondContact O-N 3.03Å; L204-L206 VanDerWaalsContact C-N 3.28Å; L204-L206 HydrophobicContact CB-CD1 4.14Å; L204-L206 HydrophobicContact CB-CG 3.83Å; L204-L206 HydrophobicContact CD1-CD1 3.88Å; L206-E208 PolarHBondContact O-N 3.03Å
207S57.8Low48Very low47 Ų4791.1 Ų91.133%0.32944%0.436SS..  trans-59.1137.8175.2-178.40000111.7G205 R209 C210G205-S207 PolarHBondContact O-N 2.82Å; S207-R209 PolarHBondContact O-N 3.19Å; S207-R209 WeakPolarHBondContact OG-CB 3.29Å; S207-R209 PolarHBondContact OG-N 3.46Å; S207-R209 VanDerWaalsContact OG-N 3.16Å; S207-C210 PolarHBondContact O-N 3.45Å
208E48.1Very low46.6Very low107 Ų10792.1 Ų92.150%0.546%0.456SS..G310 helixtrans-61.8-17.7169.2-72.6-141.8122.100112.5L206 C210 K211L206-E208 PolarHBondContact O-N 3.03Å; E208-C210 PolarHBondContact O-N 2.85Å; E208-K211 VanDerWaalsContact CD-NZ 3.3Å; E208-K211 WeakPolarHBondContact O-CG 3.33Å; E208-K211 PolarHBondContact O-N 3.49Å; E208-K211 IonicContact OE1-NZ 2.78Å; E208-K211 PolarHBondContact OE1-NZ 3.28Å; E208-K211 IonicContact OE2-NZ 3.55Å
209R44.6Very low45.2Very low209 Ų20994.6 Ų94.679%0.78947%0.467SS*.G310 helixtrans-68.1-14.8177.1-72.8-173.7-179.4177.80.3113.9S207 K211S207-R209 PolarHBondContact O-N 3.19Å; S207-R209 WeakPolarHBondContact OG-CB 3.29Å; S207-R209 PolarHBondContact OG-N 3.46Å; S207-R209 VanDerWaalsContact OG-N 3.16Å; R209-K211 PolarHBondContact O-N 2.91Å
210C37.7Very low43.7Very low17 Ų1795 Ų9512%0.11547%0.474CS..G310 helixtrans-8218.1177.4-66.50000113.9S207 E208 C212S207-C210 PolarHBondContact O-N 3.45Å; E208-C210 PolarHBondContact O-N 2.85Å; C210-C212 VanDerWaalsContact C-N 3.33Å; C210-C212 PolarHBondContact O-N 2.96Å
211K34.2Very low42.3Very low98 Ų9898.4 Ų98.443%0.42650%0.501SS..  trans-78.676.7177.3-77.1174-174.2159.70111.2E208 R209 Y213E208-K211 VanDerWaalsContact CD-NZ 3.3Å; E208-K211 WeakPolarHBondContact O-CG 3.33Å; E208-K211 PolarHBondContact O-N 3.49Å; E208-K211 IonicContact OE1-NZ 2.78Å; E208-K211 PolarHBondContact OE1-NZ 3.28Å; E208-K211 IonicContact OE2-NZ 3.55Å; R209-K211 PolarHBondContact O-N 2.91Å; K211-Y213 VanDerWaalsContact C-N 3.34Å; K211-Y213 HydrophobicContact CB-CD2 4.47Å; K211-Y213 PolarHBondContact O-N 3.5Å; K211-Y213 VanDerWaalsContact O-N 3.12Å
212C29.5Very low40.5Very low40 Ų40104.9 Ų104.927%0.2753%0.532SS..  trans-74.793.4159-32.80000107.1C210 W214 T296 V297C210-C212 VanDerWaalsContact C-N 3.33Å; C210-C212 PolarHBondContact O-N 2.96Å; C212-W214 PolarHBondContact O-N 3.28Å; C212-T296 HydrophobicContact CB-CG2 3.32Å; C212-T296 WeakPolarHBondContact SG-CG2 3.24Å; C212-V297 PolarHBondContact SG-O 3.2Å
213Y26.2Very low38.9Very low195 Ų195102.1 Ų102.177%0.76554%0.538SS*.  trans-63.3115.5172.2-106.4-98.6000109.1K211 D215K211-Y213 VanDerWaalsContact C-N 3.34Å; K211-Y213 HydrophobicContact CB-CD2 4.47Å; K211-Y213 PolarHBondContact O-N 3.5Å; K211-Y213 VanDerWaalsContact O-N 3.12Å; Y213-D215 PolarHBondContact O-N 2.92Å
214W26.3Very low37.3Very low173 Ų173108.6 Ų108.666%0.65556%0.562SS**  trans-73.9102148.3-71.894.4000106.1C212 H216C212-W214 PolarHBondContact O-N 3.28Å; W214-H216 PolarHBondContact O-N 2.82Å; W214-H216 VanDerWaalsContact O-N 3.15Å
215D25Very low35.5Very low128 Ų128113.4 Ų113.468%0.68460%0.595SS**  trans-69.5107.2161.8-139.2-3.2000106.2Y213 T217Y213-D215 PolarHBondContact O-N 2.92Å; D215-T217 PolarHBondContact O-N 2.95Å
216H26.6Very low33.7Very low166 Ų166119.8 Ų119.877%0.76962%0.619SS**  trans-72.769.8173.1-69.5-56.2000109W214 P218W214-H216 PolarHBondContact O-N 2.82Å; W214-H216 VanDerWaalsContact O-N 3.15Å; H216-P218 WeakPolarHBondContact O-CD 3.49Å
217T25.5Very low32.2Very low112 Ų112126.6 Ų126.669%0.68765%0.654SS**  trans-77.8114.2155.443.90000107.4D215 Y219D215-T217 PolarHBondContact O-N 2.95Å; T217-Y219 PolarHBondContact O-N 3.26Å; T217-Y219 VanDerWaalsContact O-N 3.12Å
218P27.9Very low30.7Very low122 Ų122131.9 Ų131.979%0.79268%0.678SS**  trans-61.1118.7172.9-12.526.8000108H216 A220H216-P218 WeakPolarHBondContact O-CD 3.49Å; P218-A220 PolarHBondContact O-N 3.4Å
219Y25.1Very low29.9Very low193 Ų193135.8 Ų135.876%0.75770%0.696SS**  trans-63106.4167.2-165.9-95.7000107.4T217T217-Y219 PolarHBondContact O-N 3.26Å; T217-Y219 VanDerWaalsContact O-N 3.12Å
220A26.9Very low29.3Very low78 Ų78133.3 Ų133.365%0.64570%0.699SS**PPolyproline II helixtrans-75.2131.8167.400000107.7P218 E222P218-A220 PolarHBondContact O-N 3.4Å; A220-E222 PolarHBondContact O-N 3.5Å
221P32.8Very low29.1Very low116 Ų116140.2 Ų140.275%0.75373%0.73SS**PPolyproline II helixtrans-66.6136.8178.9-6.321000109.7G223P221-G223 PolarHBondContact O-N 2.76Å
222E31.1Very low28.9Very low168 Ų168145.8 Ų145.879%0.78575%0.748SS**PPolyproline II helixtrans-52.5121.4178.8-60.5-169.4169.100112A220A220-E222 PolarHBondContact O-N 3.5Å
223G32.6Very low28.9Very low69 Ų69149 Ų14971%0.71177%0.771SS**  trans-131.4105.4167.200000107.8P221P221-G223 PolarHBondContact O-N 2.76Å
224H30.7Very low29.3Very low189 Ų189150.6 Ų150.688%0.87578%0.776SS**  trans-33.8129.6175.4-69.1-96.7000115.1
225S30.1Very low29.6Very low101 Ų101149.1 Ų149.171%0.70679%0.786SS**  -175.8120.7123.835.50000110.1I227S225-I227 PolarHBondContact O-N 3.22Å
226L26.5Very low29.9Very low177 Ų177146.7 Ų146.793%0.92779%0.791SS**  trans-63.5121.8164.3-69.1159.1000108.1
227I30.4Very low29.9Very low153 Ų153144.2 Ų144.279%0.78579%0.792SS**  trans-149.1100.7154.927173000107.1S225S225-I227 PolarHBondContact O-N 3.22Å
228N27.2Very low30.2Very low159 Ų159146.9 Ų146.985%0.8580%0.801SS**  trans-65131.8148.3-72.5-24.4000105.9
229E31.3Very low30.1Very low188 Ų188152 Ų15288%0.87980%0.804SS**  trans-171.4123.4130.1-104.2173.7-165.800108.4E231E229-E231 PolarHBondContact O-N 3.04Å
230D31.1Very low30.2Very low158 Ų158148.9 Ų148.985%0.84581%0.811SS**  trans-42122.1154.8-68.9-57.4000109.2
231E34.2Very low30.3Very low162 Ų162148.5 Ų148.576%0.75782%0.815SS**  trans171.6144.7134.1-97-171.6179.100111.6E229E229-E231 PolarHBondContact O-N 3.04Å
232R31Very low30Very low215 Ų215150.6 Ų150.681%0.81182%0.82SS**  trans77.182.8155.2-74.3170.3174.6-178.7-0.1118.1R234R232-R234 PolarHBondContact O-N 2.95Å
233S29Very low29.9Very low107 Ų107152.6 Ų152.675%0.74883%0.826SS**  -21.4116.9114.132.40000115.1
234R33.8Very low29.6Very low229 Ų229158 Ų15886%0.86483%0.833SS**  167125.7125.5-94173.8177.81730.4111.6R232R232-R234 PolarHBondContact O-N 2.95Å
235T33.8Very low29.5Very low142 Ų142160.7 Ų160.787%0.87184%0.835SS**  trans61.5125.6143.563.30000119.7
236G29.6Very low29.4Very low77 Ų77161 Ų16179%0.79484%0.838SS**  trans149.9100.8151.500000114.8
237S28.1Very low29.1Very low114 Ų114164.2 Ų164.280%0.79784%0.837SS**  trans-65.6129.3167.7-179.50000111.1
238I30.4Very low29Very low168 Ų168162.7 Ų162.786%0.86284%0.837SS**  trans-136.5123.8156.9-60.6-176.7000108.7
239R27.4Very low28.8Very low228 Ų228161.2 Ų161.286%0.8683%0.834SS**  trans-89.8140.7172.6-83.5-177.8167.7-172.8-2.9111.1
240S27.2Very low28.5Very low128 Ų128157.8 Ų157.890%0.89583%0.831SS**  trans23.6125.6150.8-54.40000121.4
241G28.1Very low28.2Very low71 Ų71159.6 Ų159.673%0.73283%0.831SS**  trans-168.5109158.400000112
242D25.8Very low27.9Very low160 Ų160157 Ų15786%0.85683%0.831SS**  trans18.7117.8155.4-57.8-39.1000120.2
243F29Very low27.7Very low209 Ų209150.8 Ų150.892%0.91781%0.814SS**  trans-136.1123151-126.2-94.7000111.6
244Q28.2Very low27.5Very low183 Ų183152.5 Ų152.586%0.85582%0.815SS**  trans-62132-177-66.3175.3-25.400111.5S246Q244-S246 PolarHBondContact O-N 3.08Å
245R27Very low27.4Very low246 Ų246148.4 Ų148.493%0.92881%0.81SS**  trans-84.2105.5168.9-77.1-173.5-174.5-138.21.3110.5
246S27.7Very low27.2Very low108 Ų108147.8 Ų147.876%0.75580%0.801SS**PPolyproline II helixtrans-71.3133.9154.626.60000109.8Q244Q244-S246 PolarHBondContact O-N 3.08Å
247R22.1Very low27.1Very low244 Ų244149.2 Ų149.292%0.92179%0.79SS**PPolyproline II helixtrans-77135.8171-76.1177.6170.4-177.3-3.9109.9
248P26.7Very low27.1Very low120 Ų120150.1 Ų150.178%0.77978%0.781SS**PPolyproline II helixtrans-102.5128.4152.3-2.822.9000110.7
249T23Very low27Very low129 Ų129148.1 Ų148.179%0.79176%0.764SS**PPolyproline II helixtrans-71.8158.7167.243.80000111.9
250S25.4Very low26.9Very low115 Ų115146 Ų14680%0.80476%0.761SS**  trans89.3113.2171.780.70000116.5
251F25.5Very low26.9Very low196 Ų196144 Ų14486%0.8675%0.747SS**  trans-125.6121.2158.5-87.8-85000107.2
252S27.6Very low26.8Very low107 Ų107147.2 Ų147.275%0.74875%0.752SS**  trans-72.6137.6167.6570000109.5
253N25.8Very low26.8Very low86 Ų86149 Ų14946%0.4675%0.748SS.*SBendtrans-74152.5172.3-62.9-23.1000110.3R308N253-R308 PolarHBondContact ND2-NH2 2.94Å; N253-R308 PolarHBondContact OD1-NH2 3.08Å
254N25.6Very low26.6Very low143 Ų143145.3 Ų145.377%0.76574%0.743SS**  trans91.585.8172.8-54.4-20000115.6
255D30.7Very low26.6Very low143 Ų143146.9 Ų146.977%0.76575%0.746SS**  trans-125.3105.7157.6-73.4-43.1000109.9I257D255-I257 PolarHBondContact O-N 3.3Å; D255-I257 VanDerWaalsContact O-N 3.14Å
256D29.5Very low26.7Very low128 Ų128140.4 Ų140.468%0.68474%0.739SS**  trans-55.7105.6162.1-83.6-58.1000109.4K48 H258K48-D256 IonicContact NZ-OD1 3.82Å; D256-H258 PolarHBondContact O-N 3.07Å
257I28.9Very low26.8Very low107 Ų107140 Ų14055%0.54974%0.736SS.*  trans-78.797.4172.9-58.3176.6000108.8D255 Y259D255-I257 PolarHBondContact O-N 3.3Å; D255-I257 VanDerWaalsContact O-N 3.14Å; I257-Y259 PolarHBondContact O-N 2.79Å
258H27.2Very low27.2Very low133 Ų133136.8 Ų136.862%0.61673%0.732SS**  trans-72114.6158.9-85.8-81.6000109.1K48 D256 K260K48-H258 VanDerWaalsContact CE-CE1 3.44Å; K48-H258 WeakPolarHBondContact CE-CE1 3.26Å; K48-H258 PolarHBondContact NZ-NE2 2.98Å; K48-H258 VanDerWaalsContact NZ-NE2 3.19Å; D256-H258 PolarHBondContact O-N 3.07Å; H258-K260 PolarHBondContact O-N 3.37Å
259Y29.8Very low27.3Very low126 Ų126138.8 Ų138.849%0.49474%0.736SS.*  trans-65.6101.6167-87.5-90.6000109.2I257 I298I257-Y259 PolarHBondContact O-N 2.79Å; Y259-I298 WeakPolarHBondContact OH-CD1 3.29Å
260K24.8Very low27.5Very low185 Ų185140 Ų14080%0.80474%0.737SS**  trans-86.9121.6157.6-83.8-174.8177.1177.50108H258 V262H258-K260 PolarHBondContact O-N 3.37Å; K260-V262 PolarHBondContact O-N 3.4Å
261S26.7Very low27.6Very low86 Ų86145 Ų14560%0.60174%0.738SS**  trans-58.2116.9164.737.10000108.9Y263S261-Y263 VanDerWaalsContact C-N 3.26Å; S261-Y263 VanDerWaalsContact CB-CE2 3.48Å; S261-Y263 PolarHBondContact O-N 3.09Å; S261-Y263 WeakPolarHBondContact OG-CE2 3.44Å
262V25.3Very low27.6Very low138 Ų138142.2 Ų142.284%0.83674%0.74SS**  trans-75.387.6168.7-178.50000106.7K260K260-V262 PolarHBondContact O-N 3.4Å
263Y25.9Very low27.6Very low198 Ų198145.5 Ų145.578%0.77674%0.74SS**  trans-82.6122159.2-70.5-75.3000107.4S261 K265S261-Y263 VanDerWaalsContact C-N 3.26Å; S261-Y263 VanDerWaalsContact CB-CE2 3.48Å; S261-Y263 PolarHBondContact O-N 3.09Å; S261-Y263 WeakPolarHBondContact OG-CE2 3.44Å; Y263-K265 PolarHBondContact O-N 2.78Å
264T26.2Very low27.6Very low131 Ų131148 Ų14880%0.80476%0.758SS**  trans-61.7117.2170.142.20000108.5S266T264-S266 PolarHBondContact O-N 2.76Å; T264-S266 VanDerWaalsContact O-N 3.17Å
265K26.9Very low27.5Very low215 Ų215147.8 Ų147.894%0.93576%0.756SS**  trans-66.8107170.4-116.9-178.9177.2-177.50107.8Y263Y263-K265 PolarHBondContact O-N 2.78Å
266S30Very low27.2Very low111 Ų111147.6 Ų147.678%0.77676%0.755SS**  trans-125.1136.9146.8730000108.8T264T264-S266 PolarHBondContact O-N 2.76Å; T264-S266 VanDerWaalsContact O-N 3.17Å
267S29.8Very low27.2Very low99 Ų99147 Ų14769%0.69276%0.756SS**  trans-41.5144.7-171.353.60000116.9
268E29.7Very low26.9Very low176 Ų176147.8 Ų147.882%0.82277%0.766SS**  trans50.190.2137.1-60.5175.8174.100116.3
269D28.8Very low26.9Very low163 Ų163147 Ų14787%0.87277%0.771SS**  -178.7151.7114.5-104.3-32.2000113.9
270L27.4Very low26.7Very low154 Ų154147.7 Ų147.781%0.80679%0.788SS**  trans-70.6148.4-175.6-69.8138.5000113.4
271R26.6Very low26.9Very low221 Ų221144 Ų14483%0.83479%0.786SS**SBendtrans96.9132.2160.2-56-177.2-177.6-144.10.3116.8K273R271-K273 PolarHBondContact O-N 3.13Å
272P26.3Very low27Very low137 Ų137148 Ų14889%0.8980%0.799SS**  trans-71.3104.2174.929.6-30.1000108.8
273K27.3Very low27.1Very low176 Ų176146.3 Ų146.377%0.76579%0.791SS**  trans-115.3125.4160.6-81.9-176.6176.21770107.8R271 I275R271-K273 PolarHBondContact O-N 3.13Å; K273-I275 PolarHBondContact O-N 3.28Å; K273-I275 VanDerWaalsContact O-N 3.12Å
274T25.5Very low27.1Very low137 Ų137144 Ų14484%0.8479%0.792SS**  trans-49.7110.5166.1-39.70000109
275I25.4Very low27.2Very low140 Ų140143.5 Ų143.572%0.71879%0.789SS**  trans-99.9104.2172.5-63.9173.2000107.4K273 V277K273-I275 PolarHBondContact O-N 3.28Å; K273-I275 VanDerWaalsContact O-N 3.12Å; I275-V277 HydrophobicContact CG2-CG2 3.84Å; I275-V277 PolarHBondContact O-N 2.86Å
276N24.3Very low27.3Very low138 Ų138140.8 Ų140.874%0.73879%0.785SS**  trans-70.6114.5159-69.1-32.1000107.4T278N276-T278 PolarHBondContact O-N 2.93Å
277V27.9Very low27.3Very low117 Ų117142.2 Ų142.271%0.70978%0.784SS**  trans-90.595.4169.7-177.90000108.1I275 T279I275-V277 HydrophobicContact CG2-CG2 3.84Å; I275-V277 PolarHBondContact O-N 2.86Å; V277-T279 HydrophobicContact CG1-CG2 4.25Å
278T22.3Very low27.1Very low122 Ų122142 Ų14275%0.74879%0.788SS**  trans-76.4112.5162.3-46.40000107.6N276N276-T278 PolarHBondContact O-N 2.93Å
279T28.4Very low27Very low118 Ų118142.4 Ų142.472%0.72479%0.79SS**  trans-104.5111.5160.835.50000108.3V277 S281V277-T279 HydrophobicContact CG1-CG2 4.25Å; T279-S281 PolarHBondContact O-N 2.97Å; T279-S281 VanDerWaalsContact O-N 3.13Å
280T24.9Very low26.9Very low139 Ų139142.2 Ų142.285%0.85379%0.789SS**  trans-60.5104172.138.40000110.4
281S28.6Very low26.8Very low109 Ų109140.3 Ų140.376%0.76279%0.788SS**  trans-143127.8147.155.40000107.5T279T279-S281 PolarHBondContact O-N 2.97Å; T279-S281 VanDerWaalsContact O-N 3.13Å
282L29Very low26.7Very low168 Ų168137.8 Ų137.888%0.8879%0.79SS**  trans-60.3152.1-174.2-79.4151.4000111.6
283P27.7Very low26.6Very low103 Ų103137.5 Ų137.567%0.66979%0.79SS**  trans-85.9124.8-150.132.2-32.9000113
284N26.6Very low26.4Very low150 Ų150133.1 Ų133.180%0.80278%0.782SS**  trans-89.7106.1150.7-80.5-21.7000107.4D286N284-D286 PolarHBondContact O-N 2.93Å; N284-D286 VanDerWaalsContact O-N 3.11Å
285T27.9Very low26.8Very low120 Ų120129.3 Ų129.374%0.73676%0.76SS**THydrogen-bonded Turntrans-69.298.3165.950.60000107.1
286D30.2Very low27.6Very low158 Ų158125.5 Ų125.585%0.84574%0.743SS**THydrogen-bonded Turntrans175.6-4.6152.1-85.4-17.8000114.1N284N284-D286 PolarHBondContact O-N 2.93Å; N284-D286 VanDerWaalsContact O-N 3.11Å
287D28.3Very low28.7Very low141 Ų141119.4 Ų119.475%0.75471%0.71SS**  trans-111.876.2-178.9-68.9-44.8000113.8H289D287-H289 PolarHBondContact O-N 3.23Å; D287-H289 VanDerWaalsContact O-N 3.1Å
288A26.1Very low30Very low95 Ų95116.1 Ų116.179%0.78569%0.689SS**  trans-81.957.4168.700000111.8
289H27.8Very low31.4Very low185 Ų185111.6 Ų111.686%0.85666%0.66SS**  trans-140.767.7171.6-81.5-67.9000110.7D287D287-H289 PolarHBondContact O-N 3.23Å; D287-H289 VanDerWaalsContact O-N 3.1Å
290N25.7Very low32.3Very low159 Ų159107.3 Ų107.385%0.8563%0.632SS**  trans-128.1117.6168.8-104.6-17.9000111.5
291S25.3Very low33Very low114 Ų114103 Ų10380%0.79760%0.604SS**  trans63.368.2143.2-171.20000119
292L25.2Very low33.2Very low167 Ų167100.4 Ų100.487%0.87458%0.579SS**  trans-129.5116.1142.2-78.9165.2000106.6S294L292-S294 PolarHBondContact O-N 3.43Å
293C24.6Very low33.2Very low131 Ų13197.4 Ų97.489%0.88556%0.562SS**  trans-57.8105.9175-151.70000107.7
294S24Very low33.4Very low84 Ų8494.5 Ų94.559%0.58754%0.541SS*.  trans-58.6140.7177.6-90.20000109.4L292 T296L292-S294 PolarHBondContact O-N 3.43Å; S294-T296 PolarHBondContact O-N 2.95Å; S294-T296 PolarHBondContact O-OG1 2.92Å
295P33.6Very low33.4Very low58 Ų5890.5 Ų90.538%0.37752%0.524SS..  trans-63.3108.8179.825.4-33.1000110.2K64 M65K64-P295 HydrophobicContact CD-CB 4.47Å; K64-P295 WeakPolarHBondContact CE-O 3.26Å; K64-P295 HydrophobicContact CG-CB 4.23Å; M65-P295 VanDerWaalsContact O-CB 3.27Å; M65-P295 WeakPolarHBondContact O-CB 3.5Å
296T40.8Very low33.7Very low59 Ų5991.2 Ų91.236%0.36252%0.523SS..  trans-79127.6179.6-57.60000110.1C212 S294 I298C212-T296 HydrophobicContact CB-CG2 3.32Å; C212-T296 WeakPolarHBondContact SG-CG2 3.24Å; S294-T296 PolarHBondContact O-N 2.95Å; S294-T296 PolarHBondContact O-OG1 2.92Å; T296-I298 PolarHBondContact O-N 3.11Å
297V48.6Very low34Very low10 Ų1087 Ų876%0.06150%0.499CS..EExtended strand (participates in β ladder)trans-80.4110.6168.6-177.60000107.9A62 F63 K64 I72 T80 C212A62-V297 HydrophobicContact CB-CG1 4.02Å; F63-V297 CarbonylContact O-C 3.5Å; F63-V297 VanDerWaalsContact O-CA 3.28Å; F63-V297 WeakPolarHBondContact O-CA 3.43Å; K64-V297 HydrophobicContact CB-CG2 4.11Å; K64-V297 HydrophobicContact CD-CG2 3.8Å; K64-V297 HydrophobicContact CG-CG2 3.91Å; I72-V297 HydrophobicContact CD1-CG2 4.12Å; T80-V297 HydrophobicContact CG2-CB 3.93Å; T80-V297 HydrophobicContact CG2-CG1 3.76Å; C212-V297 PolarHBondContact SG-O 3.2Å
298I53.8Low34.1Very low49 Ų4987.7 Ų87.725%0.25149%0.491SS..EExtended strand (participates in β ladder)trans-85.5116.2178.8-54.7176.6000108.4F63 Y259 T296 L300F63-I298 HydrophobicContact CD1-CB 4.37Å; F63-I298 HydrophobicContact CD1-CD1 4.27Å; F63-I298 PolarHBondContact N-O 3.25Å; F63-I298 PolarHBondContact O-N 2.72Å; Y259-I298 WeakPolarHBondContact OH-CD1 3.29Å; T296-I298 PolarHBondContact O-N 3.11Å; I298-L300 HydrophobicContact CG2-CD2 3.81Å; I298-L300 HydrophobicContact CG2-CG 4.08Å
299N52.2Low34.3Very low26 Ų2688.6 Ų88.614%0.13949%0.489CS..  trans-85.6118.9166.9-76.2-10000108.7T80T80-N299 WeakPolarHBondContact CG2-OD1 3.36Å; T80-N299 PolarHBondContact O-ND2 3.41Å
300L46.8Very low34.5Very low29 Ų2987.1 Ų87.115%0.15249%0.487CS..  trans-105.2112.4170.4-60.3176.4000108.7L49 I298 F302L49-L300 HydrophobicContact CB-CD1 4.06Å; L49-L300 HydrophobicContact CD2-CB 4.01Å; L49-L300 HydrophobicContact CD2-CD1 3.67Å; L49-L300 HydrophobicContact CD2-CG 3.96Å; L49-L300 HydrophobicContact CG-CD1 4.42Å; I298-L300 HydrophobicContact CG2-CD2 3.81Å; I298-L300 HydrophobicContact CG2-CG 4.08Å; L300-F302 HydrophobicContact CB-CD2 3.71Å; L300-F302 HydrophobicContact CB-CE2 3.28Å; L300-F302 HydrophobicContact CB-CZ 3.9Å; L300-F302 HydrophobicContact CD1-CE2 3.52Å; L300-F302 HydrophobicContact CD1-CZ 3.53Å; L300-F302 HydrophobicContact CG-CE2 4Å; L300-F302 HydrophobicContact CG-CZ 4.27Å; L300-F302 PolarHBondContact O-N 3.07Å
301N41.3Very low34.6Very low47 Ų4785.8 Ų85.825%0.25148%0.48SS..  trans-81.989.5169.4-76-56.5000108.2E84 P96 H100E84-N301 PolarHBondContact OE1-ND2 2.92Å; P96-N301 WeakPolarHBondContact O-CB 3.38Å; P96-N301 PolarHBondContact O-ND2 2.87Å; P96-N301 PolarHBondContact O-OD1 2.62Å; H100-N301 PolarHBondContact CE1-OD1 3.49Å; H100-N301 PolarHBondContact ND1-OD1 3.1Å
302F32.4Very low34.8Very low55 Ų5591 Ų9124%0.24149%0.489CS..PPolyproline II helixtrans-83.2131.5172-68.9-78.4000109.6L49 H51 L300L49-F302 HydrophobicContact CB-CE2 4.32Å; L49-F302 HydrophobicContact CD2-CE2 4.42Å; L49-F302 HydrophobicContact CG-CE2 4.41Å; L49-F302 WeakPolarHBondContact O-CE2 3.32Å; L49-F302 WeakPolarHBondContact O-CZ 3.29Å; H51-F302 PolarHBondContact CD2-O 2.97Å; H51-F302 PolarHBondContact NE2-O 3.27Å; L300-F302 HydrophobicContact CB-CD2 3.71Å; L300-F302 HydrophobicContact CB-CE2 3.28Å; L300-F302 HydrophobicContact CB-CZ 3.9Å; L300-F302 HydrophobicContact CD1-CE2 3.52Å; L300-F302 HydrophobicContact CD1-CZ 3.53Å; L300-F302 HydrophobicContact CG-CE2 4Å; L300-F302 HydrophobicContact CG-CZ 4.27Å; L300-F302 PolarHBondContact O-N 3.07Å
303M28.2Very low34.9Very low105 Ų10587.9 Ų87.952%0.51748%0.481SS..PPolyproline II helixtrans-84.8126.3166.8-65.4-166.280.600108.6S305M303-S305 PolarHBondContact O-N 3.03Å
304N31.8Very low35.1Very low43 Ų4384.7 Ų84.723%0.2347%0.471CS..PPolyproline II helixtrans-62.3133.9158.9-80.2-16.5000107.7D306 E307N304-D306 PolarHBondContact O-N 3.46Å; N304-E307 HydrophobicContact CB-CG 4.26Å; N304-E307 PolarHBondContact O-N 2.91Å; N304-E307 VanDerWaalsContact O-N 3.15Å
305S27.3Very low35.1Very low65 Ų6586.2 Ų86.246%0.45548%0.481SS..THydrogen-bonded Turntrans-54.2-20.8-178.847.50000113.8M303M303-S305 PolarHBondContact O-N 3.03Å
306D33.5Very low34.8Very low135 Ų13589.1 Ų89.172%0.72250%0.503SS*.THydrogen-bonded Turntrans-98.3-3-171.6-57.7-11.7000113.4N304 R308N304-D306 PolarHBondContact O-N 3.46Å; D306-R308 VanDerWaalsContact C-N 3.35Å; D306-R308 PolarHBondContact O-N 3.09Å
307E36Very low33.9Very low69 Ų6998 Ų9832%0.32253%0.529SS..  trans-95.228178.7-67.7-171.3154.600113.5R99 N304R99-E307 IonicContact CZ-OE2 3.74Å; R99-E307 VanDerWaalsContact CZ-OE2 3.29Å; R99-E307 IonicContact NH1-OE2 3.85Å; R99-E307 PolarHBondContact NH1-OE2 3.45Å; R99-E307 IonicContact NH2-OE2 3.62Å; R99-E307 PolarHBondContact NH2-OE2 3.47Å; N304-E307 HydrophobicContact CB-CG 4.26Å; N304-E307 PolarHBondContact O-N 2.91Å; N304-E307 VanDerWaalsContact O-N 3.15Å
308R30.2Very low32.8Very low156 Ų156106.3 Ų106.359%0.58957%0.57SS**PPolyproline II helixtrans-64.8132.5169.1-71.7-174.9-179-175.50.7108.7N253 D306 N310N253-R308 PolarHBondContact ND2-NH2 2.94Å; N253-R308 PolarHBondContact OD1-NH2 3.08Å; D306-R308 VanDerWaalsContact C-N 3.35Å; D306-R308 PolarHBondContact O-N 3.09Å; R308-N310 PolarHBondContact O-N 3.14Å; R308-N310 VanDerWaalsContact O-N 3.11Å
309P31.3Very low31.4Very low115 Ų115109.2 Ų109.275%0.74760%0.595SS**PPolyproline II helixtrans-57.7121.8166.4-13.826000107.7D311P309-D311 PolarHBondContact O-N 2.64Å; P309-D311 VanDerWaalsContact O-N 3.12Å
310N31.9Very low30Very low154 Ų154115.5 Ų115.582%0.82463%0.627SS**PPolyproline II helixtrans-53.8119170.7-82-26.9000109.2R308R308-N310 PolarHBondContact O-N 3.14Å; R308-N310 VanDerWaalsContact O-N 3.11Å
311D28.5Very low28.9Very low131 Ų131125 Ų12570%0.70166%0.66SS**  trans28.299.7149.2-67.9-29.9000118.4P309 S313P309-D311 PolarHBondContact O-N 2.64Å; P309-D311 VanDerWaalsContact O-N 3.12Å; D311-S313 PolarHBondContact O-N 3.46Å
312F29Very low28Very low222 Ų222128.8 Ų128.897%0.97469%0.686SS**  trans-80.175137.9-97.4-88000108.5
313S26.9Very low27.7Very low102 Ų102131.1 Ų131.171%0.71371%0.709SS**  trans-101.390.6162.563.20000108.1D311D311-S313 PolarHBondContact O-N 3.46Å
314G28.7Very low27.5Very low65 Ų65132.8 Ų132.867%0.6772%0.724SS**  trans-17386.6-175.200000112S316G314-S316 PolarHBondContact O-N 2.88Å
315S24.1Very low27.4Very low115 Ų115142.2 Ų142.280%0.80476%0.757SS**  trans-50.2118.2178.8-170.40000113
316S27.3Very low27.3Very low119 Ų119150.5 Ų150.583%0.83278%0.778SS**  trans-151.4105.8148.3-84.30000109.6G314 M318G314-S316 PolarHBondContact O-N 2.88Å; S316-M318 PolarHBondContact O-N 3.18Å
317R22.9Very low26.9Very low245 Ų245149.9 Ų149.993%0.92578%0.781SS**  trans-53.4120.8176-72.1169.1162.5161.6-5.7110.7
318M24.8Very low26.6Very low186 Ų186153.3 Ų153.392%0.91681%0.807SS**  trans-116.8114.5151.8-106.4-176.6170.200108.9S316 I320S316-M318 PolarHBondContact O-N 3.18Å; M318-I320 PolarHBondContact O-N 2.7Å
319S24Very low26.5Very low110 Ų110157.1 Ų157.177%0.76982%0.822SS**  trans-68.2121.5179.353.90000111R321S319-R321 PolarHBondContact O-N 2.99Å
320I23.3Very low26.3Very low157 Ų157156.7 Ų156.781%0.80582%0.821SS**  trans-77.7103.9160.7-61.8173.9000106.6M318 T322M318-I320 PolarHBondContact O-N 2.7Å; I320-T322 HydrophobicContact CG2-CG2 4.34Å; I320-T322 PolarHBondContact O-N 3.14Å
321R23.5Very low26.3Very low228 Ų228155 Ų15586%0.8682%0.822SS**  trans-89.396.2169.4-136.8-177.6-167.9-177.34107.7S319S319-R321 PolarHBondContact O-N 2.99Å
322T22.4Very low26.2Very low128 Ų128154.7 Ų154.779%0.78583%0.825SS**  trans-78.3114.9158.436.20000107.8I320I320-T322 HydrophobicContact CG2-CG2 4.34Å; I320-T322 PolarHBondContact O-N 3.14Å
323S26.7Very low26.5Very low103 Ų103150 Ų15072%0.7282%0.816SS**  trans-131.595.7163.364.50000109.8
324V23.9Very low26.6Very low140 Ų140150.3 Ų150.385%0.84881%0.814SS**  trans-68.3120.9154.8175.20000107.1
325R28.7Very low26.7Very low242 Ų242152.8 Ų152.891%0.91382%0.819SS**  trans-166.2111.6154.4-106.1166.3-161.1-143.56112
326R25.5Very low27Very low238 Ų238154.8 Ų154.890%0.89882%0.821SS**  trans16.8147.1152.6-69.3-179.8176-174.8-2122.1
327P24.4Very low27.2Very low122 Ų122152 Ų15279%0.79281%0.812SS**  trans-88.5144.7-177.935.7-32.7000113.7
328T31.2Very low27.7Very low141 Ų141148.6 Ų148.687%0.86581%0.806SS**  trans-144.5113.9161.342.90000112.5
329R27.9Very low27.9Very low237 Ų237143.9 Ų143.989%0.89479%0.791SS**  trans46.8115.1133.8-114.5177.9173.8-167.6-3.2122.3
330S26.2Very low28.3Very low106 Ų106149.1 Ų149.174%0.74180%0.795SS**  58.9118.2128.869.80000122
331S32.8Very low28.5Very low119 Ų119150.3 Ų150.383%0.83280%0.797SS**  -162.7115.7128.3500000110.2
332T26.8Very low29Very low124 Ų124151.4 Ų151.476%0.76180%0.802SS**  trans-71.6160.3173.3410000112.9
333P33.9Very low29.3Very low123 Ų123153.8 Ų153.880%0.79980%0.804SS**  -136115.7110.528.9-13.3000111.1
334V29.3Very low29.6Very low109 Ų109154 Ų15466%0.66181%0.805SS**  46.2106.293.6-170.10000114.5
335C30.2Very low29.7Very low116 Ų116152.1 Ų152.178%0.78480%0.798SS**  -174.8112.8118.2-96.70000111.9
336N31.2Very low29.8Very low158 Ų158148.5 Ų148.585%0.84580%0.795SS**  trans11.5143.7141.5-53.6-17.3000119.1
337G31.8Very low29.9Very low61 Ų61141.5 Ų141.563%0.62978%0.783SS**  cis172.4-177.312.100000111.4
338H33.9Very low30.1Very low173 Ų173140 Ų14080%0.80178%0.775SS**  trans76.394.5172.2-56.6-68.9000116.4
339S27.4Very low29.9Very low86 Ų86141.4 Ų141.460%0.60178%0.778SS**  55.610967.979.20000113.5
340Y33.1Very low30Very low221 Ų221134.1 Ų134.187%0.86778%0.776SS**  -162.3131.1126.5-78.1-61.9000110.1
341E28.5Very low29.9Very low181 Ų181141.1 Ų141.185%0.84679%0.786SS**  trans-78.6153.8-177.3-59.4162.3147.100111.8
342R32.6Very low29.6Very low252 Ų252139.3 Ų139.395%0.95178%0.778SS**  -160.1125.1125.9-122.2178.4-150-151.53.6113.3
343E29Very low29.6Very low178 Ų178139.8 Ų139.883%0.83278%0.777SS**  trans-75.8176.6170.4-60.2172.8130.600112.6
344S32.5Very low29.3Very low108 Ų108144.1 Ų144.176%0.75578%0.779SS**  trans115.898.3159.267.80000112.5
345S27.2Very low29.2Very low99 Ų99146.7 Ų146.769%0.69279%0.787SS**  73.414365.674.20000113.8
346I31Very low29Very low167 Ų167150.4 Ų150.486%0.85679%0.791SS**  trans91139.9173.8-50.6159.6000112.8
347S27.3Very low29Very low91 Ų91149.8 Ų149.864%0.63679%0.787SS**  cis172.6144.7-27.4165.80000105.1
348S28.4Very low29Very low91 Ų91154 Ų15464%0.63680%0.795SS**  trans63.1122148.4580000122.1
349N27.1Very low28.8Very low170 Ų170154.3 Ų154.391%0.90980%0.797SS**  trans64.7114136.4-63.2-15.3000120.4
350G29.9Very low28.9Very low84 Ų84162.1 Ų162.187%0.86682%0.815SS**  trans-167111.1162.400000111.7
351R24.2Very low28.8Very low252 Ų252155 Ų15595%0.95181%0.808SS**  trans-92165.6175.5-161.9178.4-170.9170.42.8109
352A27.2Very low28.7Very low81 Ų81158.4 Ų158.467%0.66981%0.813SS**  trans91.1147.1171.400000114.7
353N25.5Very low28.3Very low135 Ų135150.5 Ų150.572%0.72280%0.802SS**  cis-177-173.7-10.1-103.2-22.9000105.9
354Y27.7Very low28.3Very low214 Ų214147.4 Ų147.484%0.83980%0.8SS**  trans93.8122.2165.5-54.1-79.5000114.1
355L28.1Very low27.9Very low162 Ų162153 Ų15385%0.84881%0.806SS**  cis-144.4143.633.9-77.3152.1000112.7
356K25.8Very low28.1Very low195 Ų195156 Ų15685%0.84881%0.813SS**  trans-100.2149.8157.6-86.4-178.7171.8-179.40107.4
357D30.2Very low28Very low144 Ų144158.8 Ų158.877%0.7781%0.813SS**  trans178.5133.2151.3-80.1-20000104.5
358D32.5Very low27.9Very low150 Ų150162 Ų16280%0.80282%0.822SS**  cis-153147.212.9-82.5-41.6000110.8
359Q28.5Very low28.1Very low180 Ų180165.3 Ų165.384%0.84183%0.833SS**  trans-95.3135.6165.5-70.1-175.3-39.400109.6
360Y31.3Very low28.3Very low250 Ų250166.1 Ų166.198%0.9883%0.832SS**  trans171.8129.3149.2-95.5-72.9000106.3
361G29.3Very low28.4Very low70 Ų70168.2 Ų168.272%0.72283%0.833SS**  cis176.9166.51.700000110.4
362R28.3Very low28.9Very low253 Ų253159.7 Ų159.796%0.95582%0.823SS**  trans71.1113.3155-93.8177.2176.4156.20121.6
363A23.6Very low29Very low86 Ų86167.5 Ų167.571%0.71184%0.836SS**  trans-66.9155.3158.400000114
364S28Very low29.1Very low114 Ų114166.5 Ų166.580%0.79784%0.839SS**  trans-146.1109.6144.442.70000110
365Y24.1Very low29.3Very low225 Ų225161.7 Ų161.788%0.88284%0.837SS**  trans-66.9132.9159.9-86.1-98.6000108.9
366I31.5Very low29.2Very low162 Ų162164.6 Ų164.683%0.83184%0.838SS**  trans-118.3132.5158.4-63.5-177.2000108
367R29.2Very low29.5Very low226 Ų226164 Ų16485%0.85384%0.84SS**  trans-72.1147.3-166.4-66.1171.4-174.41631.4112.4
368N25.9Very low29.6Very low157 Ų157166.2 Ų166.284%0.8484%0.843SS**  trans-59.1132152.5-82.8-26.7000109.5
369D32.7Very low29.3Very low161 Ų161166.3 Ų166.386%0.86184%0.844SS**  trans-122.5124.7151.5-87.5-29.9000109.1
370Q30.3Very low29.5Very low188 Ų188167.2 Ų167.288%0.87985%0.848SS**  trans-82.7128.7173.9-64.3172.8-24.600109
371S33.2Very low29.5Very low127 Ų127163.8 Ų163.889%0.88884%0.841SS**  trans-176.4131.8146.855.60000112.4
372G33.2Very low29.6Very low73 Ų73171.9 Ų171.975%0.75385%0.851SS**  trans120.577.7160.100000114.4
373R30.4Very low29.5Very low246 Ų246164.6 Ų164.693%0.92884%0.839SS**  48104.297.4-82.9-177.8170.4170.4-2.6113.3
374S27.7Very low30.1Very low113 Ų113165.5 Ų165.579%0.7984%0.841SS**  76.5112.579.4174.30000114.5
375S31.9Very low30.2Very low113 Ų113165.4 Ų165.479%0.7984%0.835SS**  178.2127.5117.959.70000113.6
376Y25.2Very low30.6Very low223 Ų223161.3 Ų161.388%0.87583%0.828SS**  trans-61.7146.8155.8-96.2-104.8000112.5
377M31.8Very low30.6Very low183 Ų183164.6 Ų164.690%0.90183%0.83SS**  trans-171.8112.6138.4-78.8-142.2178.200107.5
378K32.3Very low30.7Very low190 Ų190157 Ų15783%0.82682%0.822SS**  66.1116.385.3-81.1-167.8177.4-176.80115.6
379D27.8Very low31Very low153 Ų153155.1 Ų155.182%0.81882%0.821SS**  trans2.5133.7153.9-52.7-39.7000118.9
380E32.8Very low30.8Very low198 Ų198152.5 Ų152.593%0.92582%0.815SS**  trans-161.3149.3130.2-113.1172.3-163.500113.3
381Q29.4Very low30.9Very low178 Ų178150 Ų15083%0.83281%0.813SS**  trans-73.3149.2-168.4-62171.3-36.400113
382Y32.4Very low30.7Very low240 Ų240149.5 Ų149.594%0.94181%0.809SS**  trans-139.4114147.6-115.5-89.9000110.5
383S27.2Very low30.6Very low100 Ų100149.3 Ų149.370%0.69981%0.807SS**  trans-107.7133.1171165.70000108.3
384S35Very low30.5Very low106 Ų106147.9 Ų147.974%0.74181%0.808SS**  trans-160.186.6151.661.50000111.1
385T30.8Very low30.4Very low111 Ų111146 Ų14668%0.68181%0.806SS**  34.5144.3123.6-23.50000122.8
386L32.8Very low30.2Very low140 Ų140147.9 Ų147.973%0.73381%0.806SS**  trans94.8127.7151.3-60.1174.3000115.3
387R30.8Very low30.1Very low231 Ų231145.8 Ų145.887%0.87280%0.804SS**  cis-161.2159.910.4-86.7151.3-171.9-125.33.6104.4
388G31.4Very low29.9Very low66 Ų66147.8 Ų147.868%0.6880%0.803SS**  cis15916214.600000108
389S32.1Very low29.5Very low117 Ų117144.3 Ų144.382%0.81880%0.801SS**  trans89.593.2167.5-47.20000116.9
390S27.8Very low29.6Very low106 Ų106142.8 Ų142.874%0.74180%0.803SS**  67.1123.189.370.60000113.2
391V33.9Very low29.4Very low137 Ų137143.4 Ų143.483%0.8380%0.798SS**  -162.2147.367.5166.90000111.4
392S27.6Very low29.3Very low115 Ų115140.3 Ų140.380%0.80480%0.795SS**  trans-66.6155.717756.30000116.8
393G30.6Very low29.3Very low70 Ų70139.2 Ų139.272%0.72280%0.795SS**  trans160.689150.500000118.6
394K30.1Very low29.5Very low216 Ų216142 Ų14294%0.93980%0.797SS**  trans32.9114.4137.6-58178.8-179.7178.70120
395G24.9Very low29.2Very low73 Ų73147.6 Ų147.675%0.75380%0.802SS**  91131.7112.400000121.3
396I27.2Very low29.1Very low153 Ų153145.7 Ų145.779%0.78580%0.804SS**  trans99.1118.8145.8-51171.4000117.9Y398I396-Y398 HydrophobicContact CG2-CD2 4.42Å; I396-Y398 HydrophobicContact CG2-CE2 3.75Å
397Q24.1Very low29.1Very low178 Ų178147.1 Ų147.183%0.83281%0.807SS**  trans-73.4152.7173.3-64.8171.1-55.600113
398Y26.5Very low29.1Very low225 Ų225142 Ų14288%0.88280%0.796SS**  trans-148.3144145.9-76-71.3000113.4I396I396-Y398 HydrophobicContact CG2-CD2 4.42Å; I396-Y398 HydrophobicContact CG2-CE2 3.75Å
399C24.2Very low29.1Very low117 Ų117148.9 Ų148.979%0.79180%0.802SS**  trans-95.2146.6-178.21720000112.1Y401C399-Y401 PolarHBondContact O-N 3.14Å
400S30.4Very low29Very low122 Ų122153.8 Ų153.885%0.85380%0.804SS**SBendtrans-89.455-171.760.50000115.4
401Y27.5Very low29.3Very low210 Ų210156 Ų15682%0.82481%0.806SS**SBendtrans-113.62.1173-150.6-98.6000115.6C399C399-Y401 PolarHBondContact O-N 3.14Å
402C28.4Very low29.2Very low114 Ų114153.7 Ų153.777%0.7780%0.796SS**  trans-142.567.9-173.8-79.60000116
403K32.9Very low29.3Very low216 Ų216159.2 Ų159.294%0.93980%0.799SS**  trans-132.368.9151.8-100.5-173.8178.6179.20110.5
404Q30Very low29.8Very low158 Ų158168.5 Ų168.574%0.73883%0.827SS**  trans-59.1150161.8-77.8178.35.900110.6
405R29.8Very low29.8Very low224 Ų224166.1 Ų166.185%0.84582%0.821SS**  trans67.490.3156.9-66.5169.4179.8-168.9-0.6113.9H407R405-H407 PolarHBondContact O-N 3Å
406G28.2Very low30Very low71 Ų71171 Ų17173%0.73283%0.825SS**  trans-49.912916300000110.4
407H32.4Very low30.2Very low171 Ų171172 Ų17279%0.79283%0.827SS**  trans-163.7110.8145.6-99.3-72.2000108.5R405R405-H407 PolarHBondContact O-N 3Å
408N30.7Very low30.6Very low122 Ų122171.6 Ų171.665%0.65283%0.827SS**  trans73.7123.1131.1-80.9-26.9000122.1
409R32.4Very low30.8Very low211 Ų211168.3 Ų168.380%0.79682%0.823SS**  trans92.7104.9136.4-69.3171.5-173.7-160.62.6117.3
410Y29.1Very low31.3Very low221 Ų221171.7 Ų171.787%0.86783%0.825SS**  39.4131.9110.7-91.5-89.8000115.6
411I33.4Very low31.3Very low152 Ų152175.3 Ų175.378%0.77982%0.823SS**  -163.6132.860.6-73-179.9000111.3
412S32.3Very low31.6Very low88 Ų88172.6 Ų172.662%0.61582%0.823SS**  trans8139.7141.6-173.60000124.1
413R29.9Very low31.9Very low232 Ų232177.5 Ų177.588%0.87583%0.828SS**  trans69.1118.9141.7-80.5173.2-176.2-169.50.1120.8
414M41.6Very low31.8Very low264 Ų264174 Ų174100%1.382%0.818SS**  -131.4088.1-87.6-174.6174.500109.8

Retrieved 414 of 414 residues in 671.4 ms (Link to these results)

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