A0A087YGX4_POEFO Loading...

Probable ATP-dependent DNA helicase HFM1

Required for crossover formation and complete synapsis of homologous chromosomes during meiosis.

AlphaFold DB , UniProt , Accession A0A087YGX4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,047 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
1K81.4Confident86Confident137 Ų13799.1 Ų99.160%0.59649%0.489SS*.  0-84.30-160.9165.8-179178.90111.5R3 E57K1-R3 VanDerWaalsContact C-N 3.28Å; K1-R3 PolarHBondContact O-N 3.48Å; K1-E57 IonicContact NZ-OE1 2.68Å; K1-E57 PolarHBondContact NZ-OE1 3.44Å; K1-E57 IonicContact NZ-OE2 3.34Å; K1-E57 PolarHBondContact NZ-OE2 2.93Å
2F89.4Confident86.3Confident32 Ų3295.8 Ų95.814%0.1447%0.47CS..G310 helixtrans-61.90.7-161.8-51.1-72.4000120.4S4 I5 I49 L52 M53 W59 L88F2-S4 PolarHBondContact O-N 3.3Å; F2-I5 HydrophobicContact CB-CD1 4.16Å; F2-I5 HydrophobicContact CD1-CD1 4.24Å; F2-I5 PolarHBondContact O-N 3.16Å; F2-I49 HydrophobicContact CB-CD1 4.16Å; F2-I49 HydrophobicContact CB-CG1 4.15Å; F2-I49 HydrophobicContact CB-CG2 3.92Å; F2-I49 HydrophobicContact CD1-CG1 4.37Å; F2-I49 HydrophobicContact CD1-CG2 4.42Å; F2-I49 HydrophobicContact CD2-CG2 3.76Å; F2-I49 HydrophobicContact CE2-CG2 4.42Å; F2-I49 HydrophobicContact CG-CG1 4.29Å; F2-I49 HydrophobicContact CG-CG2 3.77Å; F2-L52 HydrophobicContact CE1-CB 4Å; F2-L52 HydrophobicContact CE1-CD1 4.08Å; F2-L52 HydrophobicContact CZ-CB 3.89Å; F2-M53 HydrophobicContact CD2-CG 4.11Å; F2-M53 HydrophobicContact CD2-SD 4.5Å; F2-M53 HydrophobicContact CE2-CG 3.6Å; F2-M53 HydrophobicContact CZ-CG 4.46Å; F2-W59 AromaticContact CE1-CH2 3.91Å; F2-W59 HydrophobicContact CE1-CH2 3.91Å; F2-W59 HydrophobicContact CE1-CZ2 4.05Å; F2-W59 HydrophobicContact CZ-CH2 4.28Å; F2-W59 AromaticContact CZ-CZ2 3.96Å; F2-W59 HydrophobicContact CZ-CZ2 3.96Å; F2-L88 HydrophobicContact CD1-CD1 3.95Å; F2-L88 HydrophobicContact CE1-CD1 4.26Å
3R85.9Confident86.4Confident230 Ų23091.8 Ų91.887%0.86845%0.452SS*.G310 helixtrans-63.2-25.2-177.6-72.1-176.4-179.6157.20.1114K1 I5 F6K1-R3 VanDerWaalsContact C-N 3.28Å; K1-R3 PolarHBondContact O-N 3.48Å; R3-I5 PolarHBondContact O-N 3.19Å; R3-F6 PolarHBondContact O-N 3.23Å
4S87Confident86.5Confident72 Ų7294.9 Ų94.950%0.50346%0.457SS..G310 helixtrans-61.6-28.6179.146.90000113.9F2 F6 S7F2-S4 PolarHBondContact O-N 3.3Å; S4-F6 PolarHBondContact O-N 3.25Å; S4-S7 WeakPolarHBondContact O-CB 3.41Å; S4-S7 PolarHBondContact O-N 3.44Å; S4-S7 PolarHBondContact O-OG 3.25Å
5I88.6Confident86.7Confident4 Ų488.7 Ų88.72%0.02143%0.428CS..G310 helixtrans-59-31.1179.3-65.4170.9000111.9F2 R3 I49 K84 F85 L88F2-I5 HydrophobicContact CB-CD1 4.16Å; F2-I5 HydrophobicContact CD1-CD1 4.24Å; F2-I5 PolarHBondContact O-N 3.16Å; R3-I5 PolarHBondContact O-N 3.19Å; I5-I49 HydrophobicContact CD1-CD1 3.67Å; I5-I49 HydrophobicContact CD1-CG1 3.74Å; I5-I49 HydrophobicContact CG2-CD1 4.49Å; I5-K84 HydrophobicContact CG2-CB 4.33Å; I5-K84 HydrophobicContact CG2-CD 4.09Å; I5-K84 HydrophobicContact CG2-CG 4.47Å; I5-K84 WeakPolarHBondContact O-CE 3.46Å; I5-F85 HydrophobicContact CD1-CD1 4.06Å; I5-F85 HydrophobicContact CD1-CE1 3.65Å; I5-F85 HydrophobicContact CD1-CZ 4.33Å; I5-L88 HydrophobicContact CD1-CD1 3.87Å; I5-L88 HydrophobicContact CG1-CD1 4.27Å
6F90.5Very high87Confident24 Ų2483.9 Ų83.911%0.10540%0.404CS..G310 helixtrans-107.122-175-54.6-58.5000113.1R3 S4 E8 F9 F12 V42 E45 L46 I49R3-F6 PolarHBondContact O-N 3.23Å; S4-F6 PolarHBondContact O-N 3.25Å; F6-E8 PolarHBondContact O-N 2.96Å; F6-F9 HydrophobicContact CB-CE2 3.98Å; F6-F9 HydrophobicContact CB-CZ 3.95Å; F6-F9 HydrophobicContact CD1-CE1 4.45Å; F6-F9 HydrophobicContact CD1-CE2 4.36Å; F6-F9 AromaticContact CD1-CZ 3.69Å; F6-F9 HydrophobicContact CD1-CZ 3.69Å; F6-F9 HydrophobicContact CG-CE2 4.41Å; F6-F9 HydrophobicContact CG-CZ 4.15Å; F6-F9 PolarHBondContact O-N 3.08Å; F6-F9 VanDerWaalsContact O-O 3.05Å; F6-F12 HydrophobicContact CD1-CE1 4.11Å; F6-F12 HydrophobicContact CD2-CE1 4.16Å; F6-F12 AromaticContact CD2-CZ 3.77Å; F6-F12 HydrophobicContact CD2-CZ 3.77Å; F6-F12 HydrophobicContact CE1-CE1 4.21Å; F6-F12 HydrophobicContact CE2-CE1 4.26Å; F6-F12 AromaticContact CE2-CZ 3.8Å; F6-F12 HydrophobicContact CE2-CZ 3.8Å; F6-F12 HydrophobicContact CG-CE1 4.07Å; F6-F12 HydrophobicContact CG-CZ 4.14Å; F6-F12 HydrophobicContact CZ-CE1 4.28Å; F6-F12 HydrophobicContact CZ-CZ 4.21Å; F6-V42 HydrophobicContact CD1-CG1 4.48Å; F6-V42 HydrophobicContact CE1-CG1 3.87Å; F6-V42 HydrophobicContact CZ-CG1 4.41Å; F6-E45 HydrophobicContact CE1-CB 3.91Å; F6-E45 WeakPolarHBondContact CE1-OE2 3.26Å; F6-E45 HydrophobicContact CZ-CB 4.11Å; F6-L46 HydrophobicContact CE2-CD2 4.01Å; F6-L46 HydrophobicContact CZ-CD2 3.93Å; F6-L46 HydrophobicContact CZ-CG 4.14Å; F6-I49 HydrophobicContact CE2-CD1 3.44Å; F6-I49 VanDerWaalsContact CE2-CD1 3.44Å; F6-I49 HydrophobicContact CZ-CD1 3.53Å
7S84.7Confident87.3Confident102 Ų10282.3 Ų82.371%0.71340%0.404SS*.THydrogen-bonded Turntrans-62.4-12.8-17746.30000115S4 F9S4-S7 WeakPolarHBondContact O-CB 3.41Å; S4-S7 PolarHBondContact O-N 3.44Å; S4-S7 PolarHBondContact O-OG 3.25Å; S7-F9 VanDerWaalsContact C-N 3.33Å; S7-F9 PolarHBondContact O-N 2.98Å
8E81.7Confident87.6Confident143 Ų14384.5 Ų84.567%0.66841%0.411SS*.THydrogen-bonded Turntrans-71-19.6175.5-61.1175.215000114.1F6 K84F6-E8 PolarHBondContact O-N 2.96Å; E8-K84 IonicContact OE2-NZ 3.28Å
9F83.8Confident87.9Confident54 Ų5480.1 Ų80.124%0.23739%0.39CS..  trans-148.2139.5-177.951.8-97.4000113F6 S7 F11 F12 V42F6-F9 HydrophobicContact CB-CE2 3.98Å; F6-F9 HydrophobicContact CB-CZ 3.95Å; F6-F9 HydrophobicContact CD1-CE1 4.45Å; F6-F9 HydrophobicContact CD1-CE2 4.36Å; F6-F9 AromaticContact CD1-CZ 3.69Å; F6-F9 HydrophobicContact CD1-CZ 3.69Å; F6-F9 HydrophobicContact CG-CE2 4.41Å; F6-F9 HydrophobicContact CG-CZ 4.15Å; F6-F9 PolarHBondContact O-N 3.08Å; F6-F9 VanDerWaalsContact O-O 3.05Å; S7-F9 VanDerWaalsContact C-N 3.33Å; S7-F9 PolarHBondContact O-N 2.98Å; F9-F11 WeakPolarHBondContact CD2-O 3.42Å; F9-F11 PolarHBondContact O-N 3.21Å; F9-F12 AromaticContact CE2-CD1 3.57Å; F9-F12 HydrophobicContact CE2-CD1 3.57Å; F9-F12 AromaticContact CE2-CE1 3.7Å; F9-F12 HydrophobicContact CE2-CE1 3.7Å; F9-F12 HydrophobicContact CZ-CD1 4.15Å; F9-F12 HydrophobicContact CZ-CE1 4.04Å; F9-V42 HydrophobicContact CE1-CG2 4.34Å; F9-V42 HydrophobicContact CZ-CG2 4.04Å
10P84.8Confident88.2Confident117 Ų11777.8 Ų77.876%0.7638%0.379SS*.SBendtrans-76.4-21.3-176.729.5-35.1000114.1
11F87.9Confident88.4Confident175 Ų17578.7 Ų78.777%0.76839%0.386SS*.SBendtrans-141.3142.2-175.8-53.9-69000111.2F9F9-F11 WeakPolarHBondContact CD2-O 3.42Å; F9-F11 PolarHBondContact O-N 3.21Å
12F90Very high88.9Confident59 Ų5974.3 Ų74.326%0.25937%0.369SS..  trans-66.3148.2167.6-70.8-56.5000111F6 F9 Q16 S17 L20 V42 L46F6-F12 HydrophobicContact CD1-CE1 4.11Å; F6-F12 HydrophobicContact CD2-CE1 4.16Å; F6-F12 AromaticContact CD2-CZ 3.77Å; F6-F12 HydrophobicContact CD2-CZ 3.77Å; F6-F12 HydrophobicContact CE1-CE1 4.21Å; F6-F12 HydrophobicContact CE2-CE1 4.26Å; F6-F12 AromaticContact CE2-CZ 3.8Å; F6-F12 HydrophobicContact CE2-CZ 3.8Å; F6-F12 HydrophobicContact CG-CE1 4.07Å; F6-F12 HydrophobicContact CG-CZ 4.14Å; F6-F12 HydrophobicContact CZ-CE1 4.28Å; F6-F12 HydrophobicContact CZ-CZ 4.21Å; F9-F12 AromaticContact CE2-CD1 3.57Å; F9-F12 HydrophobicContact CE2-CD1 3.57Å; F9-F12 AromaticContact CE2-CE1 3.7Å; F9-F12 HydrophobicContact CE2-CE1 3.7Å; F9-F12 HydrophobicContact CZ-CD1 4.15Å; F9-F12 HydrophobicContact CZ-CE1 4.04Å; F12-Q16 HydrophobicContact CB-CB 3.82Å; F12-Q16 HydrophobicContact CD1-CB 4.05Å; F12-Q16 HydrophobicContact CG-CB 4.2Å; F12-S17 PolarHBondContact O-OG 3.24Å; F12-L20 HydrophobicContact CE2-CD1 4.27Å; F12-V42 HydrophobicContact CD1-CG1 3.94Å; F12-V42 HydrophobicContact CE1-CG1 3.59Å; F12-L46 HydrophobicContact CZ-CD2 4.01Å
13N87.8Confident89.1Confident44 Ų4472.8 Ų72.824%0.23536%0.362CS..  trans-73.6174.4173.578.936.7000111.6V15 Q16 S17 S38N13-V15 PolarHBondContact O-N 3.41Å; N13-V15 WeakPolarHBondContact OD1-CB 3.48Å; N13-V15 PolarHBondContact OD1-N 2.68Å; N13-Q16 VanDerWaalsContact ND2-CD 3.31Å; N13-Q16 PolarHBondContact ND2-NE2 3.05Å; N13-Q16 PolarHBondContact ND2-OE1 3.49Å; N13-Q16 PolarHBondContact O-N 3.11Å; N13-Q16 PolarHBondContact OD1-N 3.22Å; N13-S17 VanDerWaalsContact O-CB 3.31Å; N13-S17 WeakPolarHBondContact O-CB 3.41Å; N13-S17 PolarHBondContact O-N 3.41Å; N13-S17 PolarHBondContact O-OG 3.22Å; N13-S38 PolarHBondContact ND2-O 3.35Å
14Y88.1Confident89.5Confident135 Ų13562.7 Ų62.753%0.52933%0.325SS..Hα-helixtrans-56.7-43.7-178.3179.4-106.1000113.9K18 M212 H216Y14-K18 VanDerWaalsContact O-CB 3.28Å; Y14-K18 WeakPolarHBondContact O-CB 3.08Å; Y14-K18 PolarHBondContact O-N 3.31Å; Y14-M212 HydrophobicContact CD1-CE 3.94Å; Y14-M212 HydrophobicContact CD1-SD 4.14Å; Y14-M212 HydrophobicContact CE1-CE 3.49Å; Y14-M212 VanDerWaalsContact CE1-CE 3.49Å; Y14-M212 HydrophobicContact CE1-SD 3.69Å; Y14-H216 HydrophobicContact CD1-CB 4.42Å; Y14-H216 AromaticContact CD1-ND1 3.59Å; Y14-H216 AromaticContact CE1-CE1 3.45Å; Y14-H216 VanDerWaalsContact CE1-CE1 3.45Å; Y14-H216 WeakPolarHBondContact CE1-CE1 3.23Å; Y14-H216 AromaticContact CE1-CG 3.94Å; Y14-H216 AromaticContact CE1-ND1 3.28Å; Y14-H216 VanDerWaalsContact CE1-ND1 3.28Å; Y14-H216 WeakPolarHBondContact CE1-ND1 3.35Å
15V88.5Confident89.7Confident3 Ų365.8 Ų65.82%0.01833%0.327CS..Hα-helixtrans-67.7-46-179.9179.80000110.8N13 K18 A19 A34 M212N13-V15 PolarHBondContact O-N 3.41Å; N13-V15 WeakPolarHBondContact OD1-CB 3.48Å; N13-V15 PolarHBondContact OD1-N 2.68Å; V15-K18 PolarHBondContact O-N 2.82Å; V15-A19 WeakPolarHBondContact O-CB 3.24Å; V15-A19 PolarHBondContact O-N 3.16Å; V15-A34 HydrophobicContact CG1-CB 3.85Å; V15-M212 HydrophobicContact CG1-CG 4.31Å; V15-M212 HydrophobicContact CG2-CB 4.48Å; V15-M212 HydrophobicContact CG2-CG 4.08Å; V15-M212 HydrophobicContact CG2-SD 4.36Å
16Q92Very high89.8Confident11 Ų1167.6 Ų67.65%0.05134%0.338CS..Hα-helixtrans-62.4-42.3177.2-68.4164.2-15.500111.7F12 N13 L20 G39 V42F12-Q16 HydrophobicContact CB-CB 3.82Å; F12-Q16 HydrophobicContact CD1-CB 4.05Å; F12-Q16 HydrophobicContact CG-CB 4.2Å; N13-Q16 VanDerWaalsContact ND2-CD 3.31Å; N13-Q16 PolarHBondContact ND2-NE2 3.05Å; N13-Q16 PolarHBondContact ND2-OE1 3.49Å; N13-Q16 PolarHBondContact O-N 3.11Å; N13-Q16 PolarHBondContact OD1-N 3.22Å; Q16-L20 PolarHBondContact O-N 3.26Å; Q16-L20 VanDerWaalsContact O-N 3.13Å; Q16-G39 PolarHBondContact NE2-O 2.88Å; Q16-V42 HydrophobicContact CG-CB 4.14Å; Q16-V42 HydrophobicContact CG-CG1 4.04Å; Q16-V42 VanDerWaalsContact NE2-CG2 3.33Å
17S92.6Very high89.6Confident57 Ų5769.7 Ų69.740%0.39935%0.35SS..Hα-helixtrans-67.3-39.5177.3-54.90000111.8F12 N13 L20F12-S17 PolarHBondContact O-OG 3.24Å; N13-S17 VanDerWaalsContact O-CB 3.31Å; N13-S17 WeakPolarHBondContact O-CB 3.41Å; N13-S17 PolarHBondContact O-N 3.41Å; N13-S17 PolarHBondContact O-OG 3.22Å; S17-L20 WeakPolarHBondContact O-CB 3.19Å; S17-L20 PolarHBondContact O-N 2.85Å
18K92.3Very high89.9Confident122 Ų12268.2 Ų68.253%0.5333%0.331SS..Hα-helixtrans-73.3-28.6-179.6-171.457.3178.5169.10113.1Y14 V15 L210 M212Y14-K18 VanDerWaalsContact O-CB 3.28Å; Y14-K18 WeakPolarHBondContact O-CB 3.08Å; Y14-K18 PolarHBondContact O-N 3.31Å; V15-K18 PolarHBondContact O-N 2.82Å; K18-L210 HydrophobicContact CB-CD2 4.49Å; K18-L210 HydrophobicContact CG-CD1 3.94Å; K18-L210 HydrophobicContact CG-CD2 4.49Å; K18-M212 HydrophobicContact CB-CE 3.69Å; K18-M212 HydrophobicContact CG-CE 3.66Å
19A93.3Very high90.5Very high0 Ų061.8 Ų61.80%030%0.302CS..THydrogen-bonded Turntrans-85-9173.700000113.9V15 D21 V23 F30 L43 L210V15-A19 WeakPolarHBondContact O-CB 3.24Å; V15-A19 PolarHBondContact O-N 3.16Å; A19-D21 PolarHBondContact O-N 3.4Å; A19-V23 HydrophobicContact CB-CG2 4.29Å; A19-V23 WeakPolarHBondContact O-CB 3.28Å; A19-V23 VanDerWaalsContact O-CG2 3.29Å; A19-V23 WeakPolarHBondContact O-CG2 3.44Å; A19-V23 PolarHBondContact O-N 3.37Å; A19-F30 HydrophobicContact CB-CE1 4.15Å; A19-F30 HydrophobicContact CB-CZ 3.85Å; A19-L43 HydrophobicContact CB-CD2 3.54Å; A19-L210 HydrophobicContact CB-CD2 3.75Å
20L93.3Very high91Very high35 Ų3559.3 Ų59.318%0.18329%0.291CS..Hα-helixtrans-59.2-45.4-168-177.461.7000112.2F12 Q16 S17 L24 L46F12-L20 HydrophobicContact CE2-CD1 4.27Å; Q16-L20 PolarHBondContact O-N 3.26Å; Q16-L20 VanDerWaalsContact O-N 3.13Å; S17-L20 WeakPolarHBondContact O-CB 3.19Å; S17-L20 PolarHBondContact O-N 2.85Å; L20-L24 HydrophobicContact CD1-CB 4.1Å; L20-L24 HydrophobicContact CD1-CD2 3.87Å; L20-L24 WeakPolarHBondContact O-CB 3.34Å; L20-L24 PolarHBondContact O-N 2.94Å; L20-L46 HydrophobicContact CD1-CD1 3.88Å; L20-L46 HydrophobicContact CD1-CD2 3.83Å
21D92.9Very high91.5Very high96 Ų9653.8 Ų53.851%0.51326%0.255SS..Iπ-helixtrans-71.6-45.3-174.6-58-39.2000112A19 V23 Y25 T26A19-D21 PolarHBondContact O-N 3.4Å; D21-V23 VanDerWaalsContact C-N 3.34Å; D21-V23 PolarHBondContact O-N 3.37Å; D21-Y25 HydrophobicContact CB-CD2 4.29Å; D21-Y25 WeakPolarHBondContact O-CA 3.38Å; D21-Y25 WeakPolarHBondContact O-CB 3.05Å; D21-Y25 PolarHBondContact O-N 3.17Å; D21-Y25 WeakPolarHBondContact OD1-CD2 3.27Å; D21-Y25 WeakPolarHBondContact OD1-CE2 3.5Å; D21-T26 PolarHBondContact O-N 3.36Å
22D92Very high91.8Very high45 Ų4545.5 Ų45.524%0.24122%0.219CC..Iπ-helixtrans-57.2-45.8173.7-78.8-69000111.7T26 F30 R182 S208D22-T26 PolarHBondContact O-OG1 2.78Å; D22-F30 HydrophobicContact CB-CD2 3.72Å; D22-F30 HydrophobicContact CB-CE2 3.54Å; D22-F30 HydrophobicContact CB-CZ 4.3Å; D22-R182 PolarHBondContact O-NH2 3.49Å; D22-S208 VanDerWaalsContact OD1-CB 3.26Å; D22-S208 WeakPolarHBondContact OD1-CB 3.5Å; D22-S208 PolarHBondContact OD1-OG 3.44Å
23V94.1Very high91.8Very high0 Ų043 Ų430%021%0.208CC..Iπ-helixtrans-80.1-44.5-173.6177.90000112.5A19 D21 F30 L43 L46 A47 R182A19-V23 HydrophobicContact CB-CG2 4.29Å; A19-V23 WeakPolarHBondContact O-CB 3.28Å; A19-V23 VanDerWaalsContact O-CG2 3.29Å; A19-V23 WeakPolarHBondContact O-CG2 3.44Å; A19-V23 PolarHBondContact O-N 3.37Å; D21-V23 VanDerWaalsContact C-N 3.34Å; D21-V23 PolarHBondContact O-N 3.37Å; V23-F30 HydrophobicContact CG2-CD1 3.43Å; V23-F30 VanDerWaalsContact CG2-CD1 3.43Å; V23-F30 HydrophobicContact CG2-CE1 3.39Å; V23-F30 HydrophobicContact CG2-CG 4.05Å; V23-F30 HydrophobicContact CG2-CZ 4.01Å; V23-L43 WeakPolarHBondContact CG1-O 3.49Å; V23-L46 HydrophobicContact CG1-CB 3.62Å; V23-A47 HydrophobicContact CG1-CB 4.01Å; V23-R182 PolarHBondContact O-NH1 3.44Å
24L93.6Very high91.7Very high19 Ų1940.9 Ų40.910%0.09920%0.197CC..Iπ-helixtrans-93-32.2-172.9-171.362.7000113.3L20 L46 I49 R50 M53L20-L24 HydrophobicContact CD1-CB 4.1Å; L20-L24 HydrophobicContact CD1-CD2 3.87Å; L20-L24 WeakPolarHBondContact O-CB 3.34Å; L20-L24 PolarHBondContact O-N 2.94Å; L24-L46 HydrophobicContact CD2-CD2 4.39Å; L24-I49 HydrophobicContact CD1-CB 4.44Å; L24-I49 HydrophobicContact CD1-CG2 3.93Å; L24-R50 HydrophobicContact CD1-CB 4.38Å; L24-R50 VanDerWaalsContact O-CD 3.31Å; L24-R50 WeakPolarHBondContact O-CD 3.42Å; L24-R50 PolarHBondContact O-NH1 3.42Å; L24-M53 HydrophobicContact CD1-SD 3.96Å
25Y91.4Very high91.3Very high136 Ų13634.6 Ų34.653%0.53317%0.173SC..Iπ-helixtrans-104.1-15.8-174-57.5-48.7000114.6D21 R50D21-Y25 HydrophobicContact CB-CD2 4.29Å; D21-Y25 WeakPolarHBondContact O-CA 3.38Å; D21-Y25 WeakPolarHBondContact O-CB 3.05Å; D21-Y25 PolarHBondContact O-N 3.17Å; D21-Y25 WeakPolarHBondContact OD1-CD2 3.27Å; D21-Y25 WeakPolarHBondContact OD1-CE2 3.5Å; Y25-R50 VanDerWaalsContact CA-NH1 3.29Å; Y25-R50 PolarHBondContact O-NH1 3.1Å
26T90.1Very high90.8Very high42 Ų4235.9 Ų35.926%0.25818%0.181SC..  trans-109.8162170.892.90000113.1D21 D22 K28 R182D21-T26 PolarHBondContact O-N 3.36Å; D22-T26 PolarHBondContact O-OG1 2.78Å; T26-K28 PolarHBondContact OG1-N 3.36Å; T26-R182 PolarHBondContact O-NH1 3.25Å; T26-R182 PolarHBondContact O-NH2 3.19Å
27N87.5Confident89.9Confident68 Ų6837.4 Ų37.436%0.36420%0.2SC..  trans-100.42170.7-72.8-6.2000113.9R50 E54 R182N27-R50 PolarHBondContact OD1-NE 2.7Å; N27-R50 PolarHBondContact OD1-NH2 3.27Å; N27-E54 VanDerWaalsContact CG-OE1 3.28Å; N27-E54 PolarHBondContact ND2-OE1 2.88Å; N27-E54 PolarHBondContact ND2-OE2 3.39Å; N27-E54 PolarHBondContact OD1-OE1 3.21Å; N27-E54 PolarHBondContact OD1-OE2 3.48Å; N27-E54 VanDerWaalsContact OD1-OE2 3.07Å; N27-R182 WeakPolarHBondContact O-CD 3.29Å; N27-R182 WeakPolarHBondContact O-CG 3.32Å; N27-R182 PolarHBondContact O-NE 2.86Å
28K90.1Very high89.3Confident71 Ų7134.7 Ų34.731%0.30918%0.181SC..SBendtrans-61.6147.8-176.2-66.8-170.2174-173.70111T26 F30 R182T26-K28 PolarHBondContact OG1-N 3.36Å; K28-F30 PolarHBondContact O-N 3.38Å; K28-R182 PolarHBondContact O-NE 3.27Å; K28-R182 PolarHBondContact O-NH2 3.38Å
29N93.6Very high88.8Confident9 Ų930.2 Ų30.25%0.04817%0.169CC..  trans-57.9137166.9-67.5-12.4000108.5L183 L200 N202 A207 S208N29-L183 CarbonylContact C-O 3.46Å; N29-L183 WeakPolarHBondContact CA-O 3.16Å; N29-L183 HydrophobicContact CB-CB 4.22Å; N29-L183 PolarHBondContact OD1-N 3.14Å; N29-L200 PolarHBondContact ND2-O 3.24Å; N29-N202 VanDerWaalsContact ND2-CG 3.27Å; N29-N202 PolarHBondContact ND2-ND2 2.96Å; N29-N202 PolarHBondContact ND2-OD1 2.84Å; N29-A207 HydrophobicContact CB-CB 3.93Å; N29-A207 CarbonylContact O-C 3.57Å; N29-A207 VanDerWaalsContact O-CA 3.25Å; N29-A207 WeakPolarHBondContact O-CA 3.34Å; N29-A207 WeakPolarHBondContact O-CB 3.46Å; N29-S208 PolarHBondContact O-N 2.9Å
30F95Very high88.5Confident1 Ų131 Ų310%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-130.5136-169.7-176.5-111000111.7A19 D22 V23 K28 A32 L183 V184 A185 S208 L210A19-F30 HydrophobicContact CB-CE1 4.15Å; A19-F30 HydrophobicContact CB-CZ 3.85Å; D22-F30 HydrophobicContact CB-CD2 3.72Å; D22-F30 HydrophobicContact CB-CE2 3.54Å; D22-F30 HydrophobicContact CB-CZ 4.3Å; V23-F30 HydrophobicContact CG2-CD1 3.43Å; V23-F30 VanDerWaalsContact CG2-CD1 3.43Å; V23-F30 HydrophobicContact CG2-CE1 3.39Å; V23-F30 HydrophobicContact CG2-CG 4.05Å; V23-F30 HydrophobicContact CG2-CZ 4.01Å; K28-F30 PolarHBondContact O-N 3.38Å; F30-A32 HydrophobicContact CD1-CB 4.48Å; F30-A32 HydrophobicContact CE1-CB 3.77Å; F30-A32 HydrophobicContact CZ-CB 4.29Å; F30-L183 PolarHBondContact N-O 2.93Å; F30-V184 HydrophobicContact CB-CG2 4.36Å; F30-V184 HydrophobicContact CD1-CG1 4.3Å; F30-V184 CarbonylContact O-C 3.5Å; F30-V184 WeakPolarHBondContact O-CA 3.23Å; F30-A185 PolarHBondContact O-N 3.26Å; F30-S208 CarbonylContact C-O 3.54Å; F30-S208 VanDerWaalsContact CA-O 3.31Å; F30-S208 WeakPolarHBondContact CA-O 3.47Å; F30-L210 HydrophobicContact CE2-CB 4.11Å; F30-L210 HydrophobicContact CZ-CB 3.77Å; F30-L210 HydrophobicContact CZ-CD2 4.4Å
31V95.3Very high88.3Confident2 Ų231.7 Ų31.71%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-123122.7176.7-165.70000110.4A185 I193 I196 A197 L200 S208 Y209 L210V31-A185 CarbonylContact C-O 3.57Å; V31-A185 VanDerWaalsContact CA-O 3.29Å; V31-A185 WeakPolarHBondContact CA-O 3.31Å; V31-A185 HydrophobicContact CG1-CB 4.4Å; V31-I193 HydrophobicContact CB-CD1 4.16Å; V31-I193 HydrophobicContact CB-CG1 4.26Å; V31-I193 HydrophobicContact CG1-CD1 3.78Å; V31-I193 HydrophobicContact CG1-CG1 3.79Å; V31-I196 HydrophobicContact CG1-CB 4.27Å; V31-I196 HydrophobicContact CG1-CG2 3.72Å; V31-I196 HydrophobicContact CG2-CG2 4.3Å; V31-A197 HydrophobicContact CG2-CB 4.16Å; V31-L200 HydrophobicContact CG2-CD1 3.86Å; V31-S208 PolarHBondContact N-O 3.44Å; V31-Y209 CarbonylContact O-C 3.58Å; V31-Y209 WeakPolarHBondContact O-CA 3.29Å; V31-L210 PolarHBondContact O-N 3.48Å
32A93.8Very high88.3Confident1 Ų127.6 Ų27.61%0.00816%0.157CC..EExtended strand (participates in β ladder)trans-116.5118.6176.100000112.6F30 L43 A185 V186 S187F30-A32 HydrophobicContact CD1-CB 4.48Å; F30-A32 HydrophobicContact CE1-CB 3.77Å; F30-A32 HydrophobicContact CZ-CB 4.29Å; A32-L43 HydrophobicContact CB-CD1 3.63Å; A32-A185 PolarHBondContact N-O 2.94Å; A32-V186 HydrophobicContact CB-CG1 4.14Å; A32-V186 HydrophobicContact CB-CG2 4.23Å; A32-V186 CarbonylContact O-C 2.95Å; A32-V186 WeakPolarHBondContact O-CA 3.27Å; A32-S187 PolarHBondContact O-N 2.88Å
33C90.1Very high88.4Confident5 Ų525.5 Ų25.53%0.03415%0.146CC..EExtended strand (participates in β ladder)trans-98.1115.9166.8162.20000107.6T189 I190 I193 L210 M212C33-T189 VanDerWaalsContact SG-CA 3.59Å; C33-I190 PolarHBondContact SG-N 3.15Å; C33-I193 HydrophobicContact CB-CB 4.36Å; C33-I193 HydrophobicContact CB-CD1 3.43Å; C33-I193 VanDerWaalsContact CB-CD1 3.43Å; C33-I193 HydrophobicContact CB-CG1 4.42Å; C33-L210 PolarHBondContact N-O 3.09Å; C33-M212 WeakPolarHBondContact O-CB 3.29Å; C33-M212 PolarHBondContact O-N 3.23Å
34A86.9Confident88.5Confident1 Ų125.5 Ų25.51%0.00815%0.146CC..  trans-151.5150176.300000112V15 K40 S187 A188 M212V15-A34 HydrophobicContact CG1-CB 3.85Å; A34-K40 HydrophobicContact CB-CG 4.46Å; A34-S187 PolarHBondContact N-O 3.02Å; A34-S187 VanDerWaalsContact O-O 3.05Å; A34-A188 WeakPolarHBondContact O-CA 3.32Å; A34-M212 HydrophobicContact CB-CB 4.2Å
35P79.8Confident88.6Confident2 Ų224.8 Ų24.81%0.01314%0.142CC..  trans-58147-178.8-26.634.9000114.5G37 S38 T189 D213 R217P35-G37 PolarHBondContact O-N 3.26Å; P35-S38 VanDerWaalsContact O-CB 3.31Å; P35-S38 WeakPolarHBondContact O-CB 3.21Å; P35-S38 PolarHBondContact O-N 3.48Å; P35-S38 PolarHBondContact O-OG 3.07Å; P35-T189 HydrophobicContact CG-CG2 4.46Å; P35-D213 WeakPolarHBondContact CD-O 3.48Å; P35-D213 WeakPolarHBondContact CG-O 3.28Å; P35-R217 HydrophobicContact CB-CB 3.91Å; P35-R217 HydrophobicContact CB-CG 3.91Å; P35-R217 HydrophobicContact CG-CB 4.13Å
36T77Confident88.8Confident30 Ų3018.4 Ų18.418%0.18412%0.117CC..THydrogen-bonded Turntrans-64.9120.4175.3-57.90000110.1R217T36-R217 PolarHBondContact O-NE 3.35Å; T36-R217 PolarHBondContact O-NH2 2.94Å
37G73.9Confident89Confident44 Ų4416.5 Ų16.545%0.45411%0.105SC..THydrogen-bonded Turntrans113.5-17.6-169.500000114.1P35 G39P35-G37 PolarHBondContact O-N 3.26Å; G37-G39 PolarHBondContact O-N 3.11Å
38S79Confident89.4Confident0 Ų013.4 Ų13.40%09%0.088CC..SBendtrans-76.221.9-177.7-57.50000115.4N13 P35 K40 P218N13-S38 PolarHBondContact ND2-O 3.35Å; P35-S38 VanDerWaalsContact O-CB 3.31Å; P35-S38 WeakPolarHBondContact O-CB 3.21Å; P35-S38 PolarHBondContact O-N 3.48Å; P35-S38 PolarHBondContact O-OG 3.07Å; S38-K40 PolarHBondContact O-N 2.91Å; S38-P218 WeakPolarHBondContact OG-CD 3.49Å
39G81.3Confident89.6Confident28 Ų2810.3 Ų10.329%0.2898%0.076SC..  trans70.228174.600000115.6Q16 G37 T41 V42Q16-G39 PolarHBondContact NE2-O 2.88Å; G37-G39 PolarHBondContact O-N 3.11Å; G39-T41 VanDerWaalsContact C-N 3.27Å; G39-T41 PolarHBondContact O-N 3.25Å; G39-T41 VanDerWaalsContact O-N 3.14Å; G39-V42 PolarHBondContact O-N 3.07Å; G39-V42 VanDerWaalsContact O-N 3.16Å
40K87.4Confident89.6Confident16 Ų1611.8 Ų11.87%0.078%0.08CC..THydrogen-bonded Turntrans-46.4-40.9-175.4-64.2-170.5-43.6-165.30114.6A34 S38 V42 L43 E143 V186 A188A34-K40 HydrophobicContact CB-CG 4.46Å; S38-K40 PolarHBondContact O-N 2.91Å; K40-V42 PolarHBondContact O-N 3.08Å; K40-V42 VanDerWaalsContact O-N 3.14Å; K40-L43 VanDerWaalsContact O-CB 3.31Å; K40-L43 WeakPolarHBondContact O-CB 3.23Å; K40-L43 WeakPolarHBondContact O-CG 3.27Å; K40-L43 PolarHBondContact O-N 3.01Å; K40-E143 IonicContact NZ-OE1 3.15Å; K40-E143 PolarHBondContact NZ-OE1 3.14Å; K40-E143 IonicContact NZ-OE2 2.79Å; K40-E143 PolarHBondContact NZ-OE2 3.45Å; K40-V186 HydrophobicContact CB-CG1 3.75Å; K40-V186 HydrophobicContact CD-CG1 3.87Å; K40-V186 HydrophobicContact CG-CG1 4Å; K40-A188 VanDerWaalsContact NZ-N 3.11Å
41T89.9Confident89.5Confident50 Ų5012.6 Ų12.631%0.3078%0.084SC..Hα-helixtrans-57.3-30-176.8-43.10000113.7G39 L43 F44 E45 W81G39-T41 VanDerWaalsContact C-N 3.27Å; G39-T41 PolarHBondContact O-N 3.25Å; G39-T41 VanDerWaalsContact O-N 3.14Å; T41-L43 PolarHBondContact O-N 2.92Å; T41-F44 WeakPolarHBondContact O-CB 3.47Å; T41-F44 PolarHBondContact O-N 3.05Å; T41-F44 VanDerWaalsContact O-N 3.09Å; T41-E45 PolarHBondContact O-N 3.09Å; T41-W81 HydrophobicContact CG2-CZ2 4.17Å
42V92.3Very high89.3Confident10 Ų1012.8 Ų12.86%0.0619%0.085CC..Hα-helixtrans-64-25.3177.4169.60000112.2F6 F9 F12 Q16 G39 K40 F44 E45 L46F6-V42 HydrophobicContact CD1-CG1 4.48Å; F6-V42 HydrophobicContact CE1-CG1 3.87Å; F6-V42 HydrophobicContact CZ-CG1 4.41Å; F9-V42 HydrophobicContact CE1-CG2 4.34Å; F9-V42 HydrophobicContact CZ-CG2 4.04Å; F12-V42 HydrophobicContact CD1-CG1 3.94Å; F12-V42 HydrophobicContact CE1-CG1 3.59Å; Q16-V42 HydrophobicContact CG-CB 4.14Å; Q16-V42 HydrophobicContact CG-CG1 4.04Å; Q16-V42 VanDerWaalsContact NE2-CG2 3.33Å; G39-V42 PolarHBondContact O-N 3.07Å; G39-V42 VanDerWaalsContact O-N 3.16Å; K40-V42 PolarHBondContact O-N 3.08Å; K40-V42 VanDerWaalsContact O-N 3.14Å; V42-F44 VanDerWaalsContact C-N 3.31Å; V42-F44 PolarHBondContact O-N 3.2Å; V42-E45 PolarHBondContact O-N 3.28Å; V42-L46 HydrophobicContact CG1-CD1 4.15Å; V42-L46 HydrophobicContact CG1-CG 4.32Å; V42-L46 WeakPolarHBondContact O-CB 3.22Å; V42-L46 WeakPolarHBondContact O-CG 3.34Å; V42-L46 PolarHBondContact O-N 2.95Å
43L94.6Very high89.1Confident1 Ų117.5 Ų17.51%0.00511%0.108CC..Hα-helixtrans-66.3-35.7174.7-54.5-177.9000111.5A19 V23 A32 K40 T41 A47 V186A19-L43 HydrophobicContact CB-CD2 3.54Å; V23-L43 WeakPolarHBondContact CG1-O 3.49Å; A32-L43 HydrophobicContact CB-CD1 3.63Å; K40-L43 VanDerWaalsContact O-CB 3.31Å; K40-L43 WeakPolarHBondContact O-CB 3.23Å; K40-L43 WeakPolarHBondContact O-CG 3.27Å; K40-L43 PolarHBondContact O-N 3.01Å; T41-L43 PolarHBondContact O-N 2.92Å; L43-A47 WeakPolarHBondContact O-CB 3.47Å; L43-A47 PolarHBondContact O-N 3.02Å; L43-V186 HydrophobicContact CB-CG2 4.38Å; L43-V186 HydrophobicContact CD1-CG1 4.33Å; L43-V186 HydrophobicContact CD1-CG2 4.32Å
44F95.9Very high89Confident0 Ų021.9 Ų21.90%013%0.128CC..Hα-helixtrans-71-39.4172.3-56.3-51.5000111.7T41 V42 L46 A47 I48 Y66 W81 L140 I141 D142 V184 V186T41-F44 WeakPolarHBondContact O-CB 3.47Å; T41-F44 PolarHBondContact O-N 3.05Å; T41-F44 VanDerWaalsContact O-N 3.09Å; V42-F44 VanDerWaalsContact C-N 3.31Å; V42-F44 PolarHBondContact O-N 3.2Å; F44-L46 VanDerWaalsContact C-N 3.33Å; F44-L46 PolarHBondContact O-N 2.77Å; F44-A47 PolarHBondContact O-N 2.74Å; F44-I48 VanDerWaalsContact O-CG1 3.32Å; F44-I48 WeakPolarHBondContact O-CG1 3.5Å; F44-I48 PolarHBondContact O-N 3.48Å; F44-Y66 HydrophobicContact CD2-CD2 4.18Å; F44-Y66 AromaticContact CD2-CE2 3.74Å; F44-Y66 HydrophobicContact CD2-CE2 3.74Å; F44-Y66 HydrophobicContact CE2-CD2 4.33Å; F44-Y66 AromaticContact CE2-CE2 3.65Å; F44-Y66 HydrophobicContact CE2-CE2 3.65Å; F44-Y66 HydrophobicContact CG-CD2 4.47Å; F44-Y66 HydrophobicContact CG-CE2 4.46Å; F44-Y66 HydrophobicContact CZ-CE2 4.25Å; F44-W81 HydrophobicContact CB-CH2 3.81Å; F44-W81 HydrophobicContact CB-CZ2 3.77Å; F44-L140 HydrophobicContact CB-CD1 4.42Å; F44-L140 HydrophobicContact CB-CD2 4.09Å; F44-L140 HydrophobicContact CD1-CB 3.79Å; F44-L140 HydrophobicContact CD1-CD2 3.6Å; F44-L140 HydrophobicContact CD1-CG 4.24Å; F44-L140 HydrophobicContact CE1-CB 4.07Å; F44-L140 HydrophobicContact CE1-CD2 4.48Å; F44-L140 HydrophobicContact CG-CB 4.43Å; F44-L140 HydrophobicContact CG-CD2 4.26Å; F44-I141 WeakPolarHBondContact CZ-O 3.48Å; F44-D142 HydrophobicContact CE2-CB 3.87Å; F44-D142 HydrophobicContact CZ-CB 3.84Å; F44-V184 HydrophobicContact CD1-CG1 4.26Å; F44-V184 HydrophobicContact CE1-CG1 4.42Å; F44-V186 HydrophobicContact CD1-CG2 4.12Å; F44-V186 HydrophobicContact CE1-CB 3.97Å; F44-V186 HydrophobicContact CE1-CG2 3.42Å; F44-V186 VanDerWaalsContact CE1-CG2 3.42Å; F44-V186 HydrophobicContact CE2-CB 4.31Å; F44-V186 HydrophobicContact CE2-CG2 4.36Å; F44-V186 HydrophobicContact CZ-CB 3.58Å; F44-V186 HydrophobicContact CZ-CG2 3.57Å
45E95.3Very high88.9Confident3 Ų323 Ų231%0.01414%0.135CC..Hα-helixtrans-61.8-40.8176.1-64.8175-177.700111.2F6 T41 V42 I48 I49 W81 K84 F85F6-E45 HydrophobicContact CE1-CB 3.91Å; F6-E45 WeakPolarHBondContact CE1-OE2 3.26Å; F6-E45 HydrophobicContact CZ-CB 4.11Å; T41-E45 PolarHBondContact O-N 3.09Å; V42-E45 PolarHBondContact O-N 3.28Å; E45-I48 PolarHBondContact O-N 2.95Å; E45-I49 WeakPolarHBondContact O-CD1 3.42Å; E45-I49 VanDerWaalsContact O-CG1 3.24Å; E45-I49 WeakPolarHBondContact O-CG1 3.21Å; E45-I49 PolarHBondContact O-N 3.01Å; E45-W81 HydrophobicContact CG-CZ2 4.25Å; E45-W81 PolarHBondContact OE1-NE1 3.45Å; E45-K84 IonicContact OE1-NZ 3.64Å; E45-K84 PolarHBondContact OE1-NZ 2.81Å; E45-K84 IonicContact OE2-NZ 3.43Å; E45-K84 PolarHBondContact OE2-NZ 3.13Å; E45-F85 HydrophobicContact CB-CZ 4.31Å; E45-F85 HydrophobicContact CG-CE2 4.31Å; E45-F85 HydrophobicContact CG-CZ 4.36Å
46L95.4Very high89Confident3 Ų331.1 Ų31.12%0.01617%0.173CC..Hα-helixtrans-65.2-40.7172.4-72.3169.1000112.8F6 F12 L20 V23 L24 V42 F44 I49 R50F6-L46 HydrophobicContact CE2-CD2 4.01Å; F6-L46 HydrophobicContact CZ-CD2 3.93Å; F6-L46 HydrophobicContact CZ-CG 4.14Å; F12-L46 HydrophobicContact CZ-CD2 4.01Å; L20-L46 HydrophobicContact CD1-CD1 3.88Å; L20-L46 HydrophobicContact CD1-CD2 3.83Å; V23-L46 HydrophobicContact CG1-CB 3.62Å; L24-L46 HydrophobicContact CD2-CD2 4.39Å; V42-L46 HydrophobicContact CG1-CD1 4.15Å; V42-L46 HydrophobicContact CG1-CG 4.32Å; V42-L46 WeakPolarHBondContact O-CB 3.22Å; V42-L46 WeakPolarHBondContact O-CG 3.34Å; V42-L46 PolarHBondContact O-N 2.95Å; F44-L46 VanDerWaalsContact C-N 3.33Å; F44-L46 PolarHBondContact O-N 2.77Å; L46-I49 PolarHBondContact O-N 3.17Å; L46-R50 PolarHBondContact O-N 3.17Å
47A95.8Very high89.2Confident1 Ų134.9 Ų34.91%0.00819%0.189CC..Hα-helixtrans-65.2-38.2176.800000112.4V23 L43 F44 R50 L51 L138 L140 V184V23-A47 HydrophobicContact CG1-CB 4.01Å; L43-A47 WeakPolarHBondContact O-CB 3.47Å; L43-A47 PolarHBondContact O-N 3.02Å; F44-A47 PolarHBondContact O-N 2.74Å; A47-R50 PolarHBondContact O-N 3.42Å; A47-L51 PolarHBondContact O-N 3.04Å; A47-L51 VanDerWaalsContact O-N 3.16Å; A47-L138 HydrophobicContact CB-CD1 4.28Å; A47-L138 HydrophobicContact CB-CD2 4.18Å; A47-L138 WeakPolarHBondContact O-CD2 3.2Å; A47-L140 HydrophobicContact CB-CD2 3.9Å; A47-V184 HydrophobicContact CB-CG2 4.07Å
48I95.2Very high89.5Confident3 Ų337.1 Ų37.12%0.01520%0.195CC..Hα-helixtrans-64.3-44.7172-66.9162.8000110F44 E45 R50 L51 L52 W81 F85 I112 L138 L140F44-I48 VanDerWaalsContact O-CG1 3.32Å; F44-I48 WeakPolarHBondContact O-CG1 3.5Å; F44-I48 PolarHBondContact O-N 3.48Å; E45-I48 PolarHBondContact O-N 2.95Å; I48-R50 VanDerWaalsContact C-N 3.31Å; I48-R50 PolarHBondContact O-N 2.98Å; I48-L51 WeakPolarHBondContact O-CB 3.5Å; I48-L51 PolarHBondContact O-N 3.38Å; I48-L52 HydrophobicContact CG2-CD1 3.86Å; I48-L52 HydrophobicContact CG2-CG 4.39Å; I48-L52 VanDerWaalsContact O-CG 3.27Å; I48-L52 WeakPolarHBondContact O-CG 3.25Å; I48-L52 PolarHBondContact O-N 3.44Å; I48-L52 VanDerWaalsContact O-N 3.07Å; I48-W81 HydrophobicContact CD1-CE3 4.13Å; I48-W81 HydrophobicContact CD1-CH2 3.85Å; I48-W81 HydrophobicContact CD1-CZ2 4.26Å; I48-W81 HydrophobicContact CD1-CZ3 3.76Å; I48-F85 HydrophobicContact CB-CE1 4.24Å; I48-F85 HydrophobicContact CB-CZ 4.09Å; I48-F85 HydrophobicContact CD1-CE2 4.27Å; I48-F85 HydrophobicContact CD1-CZ 4.15Å; I48-F85 HydrophobicContact CG2-CD1 4.18Å; I48-F85 HydrophobicContact CG2-CE1 3.54Å; I48-F85 HydrophobicContact CG2-CZ 3.81Å; I48-I112 HydrophobicContact CD1-CD1 4.43Å; I48-I112 HydrophobicContact CG2-CD1 4.27Å; I48-L138 HydrophobicContact CG1-CD2 3.98Å; I48-L140 HydrophobicContact CD1-CD1 3.94Å; I48-L140 HydrophobicContact CG1-CD1 3.91Å
49I94Very high89.8Confident7 Ų737.8 Ų37.84%0.03620%0.198CC..Hα-helixtrans-59.5-40.4176.3-69.7162.8000111.6F2 I5 F6 L24 E45 L46 L52 M53 F85F2-I49 HydrophobicContact CB-CD1 4.16Å; F2-I49 HydrophobicContact CB-CG1 4.15Å; F2-I49 HydrophobicContact CB-CG2 3.92Å; F2-I49 HydrophobicContact CD1-CG1 4.37Å; F2-I49 HydrophobicContact CD1-CG2 4.42Å; F2-I49 HydrophobicContact CD2-CG2 3.76Å; F2-I49 HydrophobicContact CE2-CG2 4.42Å; F2-I49 HydrophobicContact CG-CG1 4.29Å; F2-I49 HydrophobicContact CG-CG2 3.77Å; I5-I49 HydrophobicContact CD1-CD1 3.67Å; I5-I49 HydrophobicContact CD1-CG1 3.74Å; I5-I49 HydrophobicContact CG2-CD1 4.49Å; F6-I49 HydrophobicContact CE2-CD1 3.44Å; F6-I49 VanDerWaalsContact CE2-CD1 3.44Å; F6-I49 HydrophobicContact CZ-CD1 3.53Å; L24-I49 HydrophobicContact CD1-CB 4.44Å; L24-I49 HydrophobicContact CD1-CG2 3.93Å; E45-I49 WeakPolarHBondContact O-CD1 3.42Å; E45-I49 VanDerWaalsContact O-CG1 3.24Å; E45-I49 WeakPolarHBondContact O-CG1 3.21Å; E45-I49 PolarHBondContact O-N 3.01Å; L46-I49 PolarHBondContact O-N 3.17Å; I49-L52 PolarHBondContact O-N 2.88Å; I49-M53 HydrophobicContact CG2-CG 4.34Å; I49-M53 HydrophobicContact CG2-SD 3.85Å; I49-M53 WeakPolarHBondContact O-CG 3.34Å; I49-M53 PolarHBondContact O-N 3.23Å; I49-F85 HydrophobicContact CG1-CE1 4.49Å
50R93.8Very high89.4Confident40 Ų4045.6 Ų45.615%0.15122%0.218CC..Hα-helixtrans-58.1-50.2173.6175.148.7175.2-131.312111.7L24 Y25 N27 L46 A47 I48 L52 M53 E54L24-R50 HydrophobicContact CD1-CB 4.38Å; L24-R50 VanDerWaalsContact O-CD 3.31Å; L24-R50 WeakPolarHBondContact O-CD 3.42Å; L24-R50 PolarHBondContact O-NH1 3.42Å; Y25-R50 VanDerWaalsContact CA-NH1 3.29Å; Y25-R50 PolarHBondContact O-NH1 3.1Å; N27-R50 PolarHBondContact OD1-NE 2.7Å; N27-R50 PolarHBondContact OD1-NH2 3.27Å; L46-R50 PolarHBondContact O-N 3.17Å; A47-R50 PolarHBondContact O-N 3.42Å; I48-R50 VanDerWaalsContact C-N 3.31Å; I48-R50 PolarHBondContact O-N 2.98Å; R50-L52 PolarHBondContact O-N 3.48Å; R50-M53 WeakPolarHBondContact O-CB 3.43Å; R50-M53 PolarHBondContact O-N 2.97Å; R50-E54 IonicContact CZ-OE1 2.67Å; R50-E54 VanDerWaalsContact CZ-OE1 3.26Å; R50-E54 IonicContact NE-OE1 4Å; R50-E54 PolarHBondContact NE-OE1 3.21Å; R50-E54 IonicContact NE-OE2 3.93Å; R50-E54 PolarHBondContact NE-OE2 3Å; R50-E54 IonicContact NH2-OE1 2.7Å; R50-E54 PolarHBondContact NH2-OE1 3.31Å; R50-E54 PolarHBondContact O-N 3.46Å; R50-E54 VanDerWaalsContact O-N 3.12Å
51L92.2Very high88.8Confident17 Ų1749.6 Ų49.69%0.08924%0.24CC..Hα-helixtrans-56-37.6177.717866.7000113.2A47 I48 T55 V62 A64 R137 L138A47-L51 PolarHBondContact O-N 3.04Å; A47-L51 VanDerWaalsContact O-N 3.16Å; I48-L51 WeakPolarHBondContact O-CB 3.5Å; I48-L51 PolarHBondContact O-N 3.38Å; L51-T55 PolarHBondContact O-N 2.9Å; L51-T55 PolarHBondContact O-OG1 2.76Å; L51-T55 VanDerWaalsContact O-OG1 3.04Å; L51-V62 HydrophobicContact CD1-CG1 4.3Å; L51-V62 HydrophobicContact CD2-CG1 3.4Å; L51-V62 HydrophobicContact CG-CG1 3.65Å; L51-A64 HydrophobicContact CD2-CB 4.12Å; L51-R137 HydrophobicContact CD1-CB 3.54Å; L51-R137 HydrophobicContact CD1-CG 4.38Å; L51-L138 HydrophobicContact CB-CD2 4.23Å; L51-L138 HydrophobicContact CD2-CB 3.72Å; L51-L138 HydrophobicContact CD2-CD2 4.07Å
52L91.3Very high88.4Confident6 Ų647.4 Ų47.43%0.03123%0.227CC..Hα-helixtrans-77.6-22.6177.6-60.9167.7000113.5F2 I48 I49 R50 W59 F85 L90F2-L52 HydrophobicContact CE1-CB 4Å; F2-L52 HydrophobicContact CE1-CD1 4.08Å; F2-L52 HydrophobicContact CZ-CB 3.89Å; I48-L52 HydrophobicContact CG2-CD1 3.86Å; I48-L52 HydrophobicContact CG2-CG 4.39Å; I48-L52 VanDerWaalsContact O-CG 3.27Å; I48-L52 WeakPolarHBondContact O-CG 3.25Å; I48-L52 PolarHBondContact O-N 3.44Å; I48-L52 VanDerWaalsContact O-N 3.07Å; I49-L52 PolarHBondContact O-N 2.88Å; R50-L52 PolarHBondContact O-N 3.48Å; L52-W59 HydrophobicContact CB-CZ2 4.01Å; L52-W59 HydrophobicContact CD2-CB 4.46Å; L52-W59 HydrophobicContact CD2-CD2 3.56Å; L52-W59 HydrophobicContact CD2-CE3 3.82Å; L52-W59 HydrophobicContact CD2-CG 3.88Å; L52-W59 HydrophobicContact CD2-CH2 4.4Å; L52-W59 HydrophobicContact CD2-CZ2 4.2Å; L52-W59 HydrophobicContact CD2-CZ3 4.22Å; L52-W59 PolarHBondContact O-NE1 3.27Å; L52-F85 HydrophobicContact CD1-CE1 4.47Å; L52-L90 HydrophobicContact CD1-CD1 3.55Å; L52-L90 HydrophobicContact CD2-CD1 3.88Å; L52-L90 HydrophobicContact CD2-CD2 3.94Å; L52-L90 HydrophobicContact CG-CD1 4.37Å
53M90.4Very high88.3Confident100 Ų10047.2 Ų47.249%0.49323%0.226SC..Hα-helixtrans-77.8-26.6172.7-76.6172.854.100112.5F2 L24 I49 R50F2-M53 HydrophobicContact CD2-CG 4.11Å; F2-M53 HydrophobicContact CD2-SD 4.5Å; F2-M53 HydrophobicContact CE2-CG 3.6Å; F2-M53 HydrophobicContact CZ-CG 4.46Å; L24-M53 HydrophobicContact CD1-SD 3.96Å; I49-M53 HydrophobicContact CG2-CG 4.34Å; I49-M53 HydrophobicContact CG2-SD 3.85Å; I49-M53 WeakPolarHBondContact O-CG 3.34Å; I49-M53 PolarHBondContact O-N 3.23Å; R50-M53 WeakPolarHBondContact O-CB 3.43Å; R50-M53 PolarHBondContact O-N 2.97Å
54E87.6Confident88.3Confident97 Ų9747.3 Ų47.345%0.45323%0.226SC..Hα-helixtrans-92.6-14.9179.3-65.9-171.9130.700114.1N27 R50N27-E54 VanDerWaalsContact CG-OE1 3.28Å; N27-E54 PolarHBondContact ND2-OE1 2.88Å; N27-E54 PolarHBondContact ND2-OE2 3.39Å; N27-E54 PolarHBondContact OD1-OE1 3.21Å; N27-E54 PolarHBondContact OD1-OE2 3.48Å; N27-E54 VanDerWaalsContact OD1-OE2 3.07Å; R50-E54 IonicContact CZ-OE1 2.67Å; R50-E54 VanDerWaalsContact CZ-OE1 3.26Å; R50-E54 IonicContact NE-OE1 4Å; R50-E54 PolarHBondContact NE-OE1 3.21Å; R50-E54 IonicContact NE-OE2 3.93Å; R50-E54 PolarHBondContact NE-OE2 3Å; R50-E54 IonicContact NH2-OE1 2.7Å; R50-E54 PolarHBondContact NH2-OE1 3.31Å; R50-E54 PolarHBondContact O-N 3.46Å; R50-E54 VanDerWaalsContact O-N 3.12Å
55T84.7Confident88.3Confident24 Ų2447.3 Ų47.315%0.14723%0.226CC..SBendtrans-107.8125178.1-44.70000110.6L51 W59 V62L51-T55 PolarHBondContact O-N 2.9Å; L51-T55 PolarHBondContact O-OG1 2.76Å; L51-T55 VanDerWaalsContact O-OG1 3.04Å; T55-W59 VanDerWaalsContact O-CD1 3.24Å; T55-W59 PolarHBondContact O-NE1 2.92Å; T55-V62 HydrophobicContact CG2-CG2 3.49Å; T55-V62 VanDerWaalsContact CG2-CG2 3.49Å
56Q82Confident88.3Confident174 Ų17447.1 Ų47.181%0.81323%0.225SC*.PPolyproline II helixtrans-62.3148.8177-167.9169.73.400111.5
57E81.9Confident88.3Confident109 Ų10947 Ų4751%0.50923%0.225SC..SBendtrans-81.2140.5177.7-70.3173-144.400110.7K1 W59K1-E57 IonicContact NZ-OE1 2.68Å; K1-E57 PolarHBondContact NZ-OE1 3.44Å; K1-E57 IonicContact NZ-OE2 3.34Å; K1-E57 PolarHBondContact NZ-OE2 2.93Å; E57-W59 HydrophobicContact CG-CD2 4.11Å; E57-W59 VanDerWaalsContact CG-CE2 3.49Å; E57-W59 HydrophobicContact CG-CG 4.47Å; E57-W59 HydrophobicContact CG-CZ2 3.75Å; E57-W59 WeakPolarHBondContact OE1-CZ2 3.24Å
58P80.2Confident88.2Confident91 Ų9147 Ų4759%0.59123%0.225SC*.SBendcis-83.1140.53.833.4-34.9000113.7R60P58-R60 HydrophobicContact CB-CG 4.28Å; P58-R60 HydrophobicContact CG-CG 4.22Å; P58-R60 PolarHBondContact O-N 3.35Å
59W84.7Confident87.7Confident14 Ų1447.4 Ų47.45%0.05323%0.227CC..  trans-7234.1-172.1-57.7-50.1000116.7F2 L52 T55 E57 D61 V62 L88 L90 H111F2-W59 AromaticContact CE1-CH2 3.91Å; F2-W59 HydrophobicContact CE1-CH2 3.91Å; F2-W59 HydrophobicContact CE1-CZ2 4.05Å; F2-W59 HydrophobicContact CZ-CH2 4.28Å; F2-W59 AromaticContact CZ-CZ2 3.96Å; F2-W59 HydrophobicContact CZ-CZ2 3.96Å; L52-W59 HydrophobicContact CB-CZ2 4.01Å; L52-W59 HydrophobicContact CD2-CB 4.46Å; L52-W59 HydrophobicContact CD2-CD2 3.56Å; L52-W59 HydrophobicContact CD2-CE3 3.82Å; L52-W59 HydrophobicContact CD2-CG 3.88Å; L52-W59 HydrophobicContact CD2-CH2 4.4Å; L52-W59 HydrophobicContact CD2-CZ2 4.2Å; L52-W59 HydrophobicContact CD2-CZ3 4.22Å; L52-W59 PolarHBondContact O-NE1 3.27Å; T55-W59 VanDerWaalsContact O-CD1 3.24Å; T55-W59 PolarHBondContact O-NE1 2.92Å; E57-W59 HydrophobicContact CG-CD2 4.11Å; E57-W59 VanDerWaalsContact CG-CE2 3.49Å; E57-W59 HydrophobicContact CG-CG 4.47Å; E57-W59 HydrophobicContact CG-CZ2 3.75Å; E57-W59 WeakPolarHBondContact OE1-CZ2 3.24Å; W59-D61 VanDerWaalsContact C-N 3.31Å; W59-D61 PolarHBondContact O-N 3.21Å; W59-V62 HydrophobicContact CB-CB 4.2Å; W59-V62 HydrophobicContact CB-CG2 3.85Å; W59-V62 HydrophobicContact CG-CG2 4.49Å; W59-V62 VanDerWaalsContact O-CB 3.32Å; W59-V62 WeakPolarHBondContact O-CB 3.26Å; W59-V62 WeakPolarHBondContact O-CG2 3.42Å; W59-V62 PolarHBondContact O-N 2.93Å; W59-V62 VanDerWaalsContact O-N 3.16Å; W59-L88 HydrophobicContact CH2-CB 4.42Å; W59-L88 HydrophobicContact CZ3-CB 4.07Å; W59-L88 WeakPolarHBondContact CZ3-O 3.44Å; W59-L90 HydrophobicContact CD2-CD2 4.46Å; W59-L90 HydrophobicContact CE3-CD1 4.25Å; W59-L90 HydrophobicContact CE3-CD2 3.67Å; W59-L90 HydrophobicContact CE3-CG 3.9Å; W59-L90 HydrophobicContact CZ3-CD1 4.04Å; W59-L90 HydrophobicContact CZ3-CD2 4.27Å; W59-L90 HydrophobicContact CZ3-CG 3.99Å; W59-H111 PolarHBondContact O-CD2 3.42Å; W59-H111 VanDerWaalsContact O-CD2 3.27Å; W59-H111 PolarHBondContact O-NE2 2.86Å
60R72.8Confident87.2Confident192 Ų19249 Ų4973%0.72524%0.236SC*.THydrogen-bonded Turntrans-56.6-39.7-170-62-177.5179.5-161.5-0.1113.8P58 V62P58-R60 HydrophobicContact CB-CG 4.28Å; P58-R60 HydrophobicContact CG-CG 4.22Å; P58-R60 PolarHBondContact O-N 3.35Å; R60-V62 VanDerWaalsContact C-N 3.33Å; R60-V62 PolarHBondContact O-N 3.28Å
61D74.8Confident86.7Confident99 Ų9950.5 Ų50.553%0.52924%0.243SC..THydrogen-bonded Turntrans-96.727.2-176.2-50.5-56.5000113.2W59 R137W59-D61 VanDerWaalsContact C-N 3.31Å; W59-D61 PolarHBondContact O-N 3.21Å; D61-R137 PolarHBondContact O-NE 2.7Å; D61-R137 PolarHBondContact O-NH2 2.86Å
62V81Confident86.1Confident5 Ų551.6 Ų51.63%0.0326%0.255CS..  trans-107.7112.3179.9-177.40000110.2L51 T55 W59 R60L51-V62 HydrophobicContact CD1-CG1 4.3Å; L51-V62 HydrophobicContact CD2-CG1 3.4Å; L51-V62 HydrophobicContact CG-CG1 3.65Å; T55-V62 HydrophobicContact CG2-CG2 3.49Å; T55-V62 VanDerWaalsContact CG2-CG2 3.49Å; W59-V62 HydrophobicContact CB-CB 4.2Å; W59-V62 HydrophobicContact CB-CG2 3.85Å; W59-V62 HydrophobicContact CG-CG2 4.49Å; W59-V62 VanDerWaalsContact O-CB 3.32Å; W59-V62 WeakPolarHBondContact O-CB 3.26Å; W59-V62 WeakPolarHBondContact O-CG2 3.42Å; W59-V62 PolarHBondContact O-N 2.93Å; W59-V62 VanDerWaalsContact O-N 3.16Å; R60-V62 VanDerWaalsContact C-N 3.33Å; R60-V62 PolarHBondContact O-N 3.28Å
63K90.5Very high85.7Confident6 Ų652.1 Ų52.13%0.02626%0.258CS..EExtended strand (participates in β ladder)trans-120.5123.8169.4-61.8-172.8-176.5-74.70112.2I107 H108 S110 H111 L132 L135 R137K63-I107 PolarHBondContact NZ-O 2.87Å; K63-H108 PolarHBondContact NZ-O 3.28Å; K63-S110 PolarHBondContact NZ-O 2.78Å; K63-H111 WeakPolarHBondContact CA-O 3.34Å; K63-L132 HydrophobicContact CD-CD1 3.53Å; K63-L132 HydrophobicContact CD-CG 4.49Å; K63-L135 HydrophobicContact CD-CB 3.82Å; K63-L135 HydrophobicContact CD-CD1 4.36Å; K63-L135 HydrophobicContact CG-CB 4.25Å; K63-R137 PolarHBondContact O-N 2.79Å
64A94.6Very high85.6Confident2 Ų247.4 Ų47.42%0.01723%0.234CC..EExtended strand (participates in β ladder)trans-108.8133.9168.100000109.6L51 H111 I112 I113 L138L51-A64 HydrophobicContact CD2-CB 4.12Å; A64-H111 PolarHBondContact N-O 2.94Å; A64-I112 WeakPolarHBondContact O-CA 3.27Å; A64-I113 PolarHBondContact O-N 3.23Å; A64-L138 WeakPolarHBondContact CA-O 3.45Å; A64-L138 HydrophobicContact CB-CB 4.19Å; A64-L138 HydrophobicContact CB-CD2 4.21Å
65V95.4Very high85.5Confident0 Ų044.7 Ų44.70%023%0.226CC..EExtended strand (participates in β ladder)trans-111.8126.4175.5-176.50000108.6I113 T115 W120 V136 L138 F139 L140V65-I113 WeakPolarHBondContact CA-O 3.28Å; V65-I113 HydrophobicContact CG2-CD1 4.43Å; V65-T115 HydrophobicContact CG1-CG2 3.83Å; V65-W120 HydrophobicContact CG1-CD2 4.28Å; V65-W120 HydrophobicContact CG1-CE3 4.12Å; V65-W120 HydrophobicContact CG1-CH2 4.23Å; V65-W120 HydrophobicContact CG1-CZ2 4.37Å; V65-W120 HydrophobicContact CG1-CZ3 4.11Å; V65-W120 HydrophobicContact CG2-CH2 3.53Å; V65-W120 HydrophobicContact CG2-CZ2 3.91Å; V65-W120 HydrophobicContact CG2-CZ3 4.04Å; V65-V136 HydrophobicContact CG2-CG1 4.03Å; V65-V136 HydrophobicContact CG2-CG2 3.79Å; V65-L138 PolarHBondContact N-O 3.41Å; V65-F139 HydrophobicContact CB-CD2 3.73Å; V65-F139 HydrophobicContact CB-CE2 3.96Å; V65-F139 HydrophobicContact CG1-CD2 4.06Å; V65-F139 HydrophobicContact CG1-CE2 3.75Å; V65-F139 HydrophobicContact CG2-CD2 4.3Å; V65-L140 WeakPolarHBondContact O-CB 3.46Å; V65-L140 PolarHBondContact O-N 2.98Å
66Y96.9Very high85.5Confident0 Ų047 Ų470%024%0.235CC..EExtended strand (participates in β ladder)trans-109.2119.5170.8168.9-98.4000110.2F44 A68 C77 W81 I113 L114 T115 L140 D142F44-Y66 HydrophobicContact CD2-CD2 4.18Å; F44-Y66 AromaticContact CD2-CE2 3.74Å; F44-Y66 HydrophobicContact CD2-CE2 3.74Å; F44-Y66 HydrophobicContact CE2-CD2 4.33Å; F44-Y66 AromaticContact CE2-CE2 3.65Å; F44-Y66 HydrophobicContact CE2-CE2 3.65Å; F44-Y66 HydrophobicContact CG-CD2 4.47Å; F44-Y66 HydrophobicContact CG-CE2 4.46Å; F44-Y66 HydrophobicContact CZ-CE2 4.25Å; Y66-A68 HydrophobicContact CE1-CB 3.7Å; Y66-C77 HydrophobicContact CD1-CB 4.38Å; Y66-C77 HydrophobicContact CE1-CB 3.76Å; Y66-C77 PolarHBondContact OH-SG 3.33Å; Y66-C77 VanDerWaalsContact OH-SG 3.34Å; Y66-W81 HydrophobicContact CD1-CZ3 4.33Å; Y66-W81 AromaticContact CD2-CH2 3.65Å; Y66-W81 HydrophobicContact CD2-CH2 3.65Å; Y66-W81 HydrophobicContact CD2-CZ3 4.11Å; Y66-W81 HydrophobicContact CE2-CH2 4.23Å; Y66-W81 AromaticContact CG-CH2 3.82Å; Y66-W81 HydrophobicContact CG-CH2 3.82Å; Y66-W81 AromaticContact CG-CZ3 3.78Å; Y66-W81 HydrophobicContact CG-CZ3 3.78Å; Y66-I113 PolarHBondContact N-O 3.48Å; Y66-L114 HydrophobicContact CD1-CB 4.18Å; Y66-L114 HydrophobicContact CD1-CD2 3.74Å; Y66-L114 HydrophobicContact CD1-CG 3.98Å; Y66-L114 HydrophobicContact CE1-CD2 4.24Å; Y66-L114 CarbonylContact O-C 3.6Å; Y66-L114 WeakPolarHBondContact O-CA 3.16Å; Y66-T115 PolarHBondContact O-N 3.12Å; Y66-L140 HydrophobicContact CD2-CB 4.08Å; Y66-D142 HydrophobicContact CE2-CB 3.84Å; Y66-D142 PolarHBondContact OH-OD2 3.35Å
67M95.6Very high85.9Confident1 Ų139 Ų391%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-113114.3-178.5-175.7171.45500109.7T115 P117 F139 L140 I141 D142 L156 V159 V160M67-T115 WeakPolarHBondContact CA-O 3.18Å; M67-T115 HydrophobicContact CB-CG2 4.35Å; M67-P117 HydrophobicContact CG-CG 3.94Å; M67-P117 HydrophobicContact SD-CB 3.95Å; M67-P117 HydrophobicContact SD-CG 3.75Å; M67-F139 HydrophobicContact CE-CE1 3.47Å; M67-F139 VanDerWaalsContact CE-CE1 3.47Å; M67-F139 HydrophobicContact CE-CZ 3.67Å; M67-F139 HydrophobicContact SD-CZ 4.16Å; M67-L140 PolarHBondContact N-O 3.12Å; M67-I141 HydrophobicContact CE-CG1 4.07Å; M67-I141 HydrophobicContact CE-CG2 4.28Å; M67-D142 PolarHBondContact O-N 3.4Å; M67-L156 HydrophobicContact CE-CD1 3.3Å; M67-L156 HydrophobicContact SD-CD1 4.21Å; M67-V159 HydrophobicContact CE-CG1 4.05Å; M67-V159 HydrophobicContact SD-CG1 3.84Å; M67-V160 HydrophobicContact CE-CG2 4.08Å
68A92Very high86.3Confident1 Ų137.8 Ų37.81%0.00819%0.19CC..  trans-110.7153176.100000110.6Y66 I70 L73 T115Y66-A68 HydrophobicContact CE1-CB 3.7Å; A68-I70 PolarHBondContact O-N 3.13Å; A68-I70 VanDerWaalsContact O-N 3.16Å; A68-L73 HydrophobicContact CB-CB 3.78Å; A68-T115 PolarHBondContact N-O 3.08Å
69P84.7Confident86.8Confident10 Ų1037.7 Ų37.77%0.06518%0.184CC..SBendtrans-69.8-12.7-177.331.8-40.4000113.3L73 E143 V146 R152P69-L73 HydrophobicContact CG-CD1 3.97Å; P69-E143 HydrophobicContact CG-CB 4Å; P69-E143 HydrophobicContact CG-CG 4.29Å; P69-V146 HydrophobicContact CB-CB 4.38Å; P69-V146 HydrophobicContact CB-CG1 4.14Å; P69-V146 HydrophobicContact CB-CG2 3.92Å; P69-V146 HydrophobicContact CG-CG2 4.41Å; P69-R152 PolarHBondContact O-NH1 3.28Å; P69-R152 PolarHBondContact O-NH2 3.11Å
70I83.1Confident87.1Confident41 Ų4138.8 Ų38.821%0.2119%0.194CC..SBendtrans-143.1157177.565.4146.1000113.1A68 A72 L73 C74 M348A68-I70 PolarHBondContact O-N 3.13Å; A68-I70 VanDerWaalsContact O-N 3.16Å; I70-A72 HydrophobicContact CD1-CB 3.8Å; I70-A72 PolarHBondContact O-N 3.38Å; I70-L73 HydrophobicContact CD1-CG 4.17Å; I70-L73 HydrophobicContact CG1-CB 3.98Å; I70-L73 HydrophobicContact CG1-CD1 3.93Å; I70-L73 HydrophobicContact CG1-CG 3.7Å; I70-L73 PolarHBondContact O-N 3.48Å; I70-C74 PolarHBondContact O-N 3.49Å; I70-C74 PolarHBondContact O-SG 2.95Å; I70-M348 HydrophobicContact CD1-CB 3.45Å; I70-M348 VanDerWaalsContact CD1-CB 3.45Å; I70-M348 HydrophobicContact CD1-CE 3.79Å; I70-M348 HydrophobicContact CD1-CG 4.18Å; I70-M348 HydrophobicContact CD1-SD 3.73Å; I70-M348 HydrophobicContact CG1-CE 3.68Å; I70-M348 HydrophobicContact CG1-SD 4.13Å; I70-M348 HydrophobicContact CG2-CE 4.23Å; I70-M348 HydrophobicContact CG2-SD 4.13Å
71K83.8Confident88.1Confident71 Ų7129.7 Ų29.731%0.30916%0.16SC..Hα-helixtrans-55.1-48.4176.6-54.9-170.4-178.8179.20112.7L73 C74 S75 T96 G97 D98 T116K71-L73 PolarHBondContact O-N 3.37Å; K71-C74 CarbonylContact O-C 3.51Å; K71-C74 VanDerWaalsContact O-CA 3.31Å; K71-C74 WeakPolarHBondContact O-CA 3.3Å; K71-C74 WeakPolarHBondContact O-CB 3.42Å; K71-C74 PolarHBondContact O-N 3.11Å; K71-S75 PolarHBondContact O-N 2.68Å; K71-S75 PolarHBondContact O-OG 2.92Å; K71-T96 HydrophobicContact CB-CG2 4.18Å; K71-T96 HydrophobicContact CG-CG2 4.1Å; K71-G97 VanDerWaalsContact NZ-C 3.27Å; K71-G97 PolarHBondContact NZ-O 2.83Å; K71-D98 WeakPolarHBondContact CD-OD2 3.41Å; K71-D98 IonicContact NZ-OD1 2.62Å; K71-D98 PolarHBondContact NZ-OD1 3.12Å; K71-D98 IonicContact NZ-OD2 3.11Å; K71-D98 PolarHBondContact NZ-OD2 2.77Å; K71-T116 HydrophobicContact CG-CG2 4.23Å
72A79.6Confident88.9Confident40 Ų4026.7 Ų26.733%0.33115%0.147SC..Hα-helixtrans-68-18.9-175.600000114.3I70 Q76I70-A72 HydrophobicContact CD1-CB 3.8Å; I70-A72 PolarHBondContact O-N 3.38Å; A72-Q76 WeakPolarHBondContact O-CB 3.4Å; A72-Q76 PolarHBondContact O-N 3.1Å; A72-Q76 VanDerWaalsContact O-N 3.1Å
73L83.3Confident89.5Confident18 Ų1833.4 Ų33.49%0.09418%0.176CC..Hα-helixtrans-77.7-35166.5-72.9176.4000111.5A68 P69 I70 K71 C77 M348A68-L73 HydrophobicContact CB-CB 3.78Å; P69-L73 HydrophobicContact CG-CD1 3.97Å; I70-L73 HydrophobicContact CD1-CG 4.17Å; I70-L73 HydrophobicContact CG1-CB 3.98Å; I70-L73 HydrophobicContact CG1-CD1 3.93Å; I70-L73 HydrophobicContact CG1-CG 3.7Å; I70-L73 PolarHBondContact O-N 3.48Å; K71-L73 PolarHBondContact O-N 3.37Å; L73-C77 WeakPolarHBondContact O-CB 3.42Å; L73-C77 PolarHBondContact O-N 3.18Å; L73-C77 PolarHBondContact O-SG 3.09Å; L73-C77 VanDerWaalsContact O-SG 3.39Å; L73-M348 HydrophobicContact CD1-CE 3.66Å; L73-M348 HydrophobicContact CG-CE 4.22Å
74C89.1Confident89.5Confident0 Ų034.5 Ų34.50%018%0.181CC..Hα-helixtrans-60.3-50171.3-52.70000110.4I70 K71 C77 Y78 E94 T96 L114 T115I70-C74 PolarHBondContact O-N 3.49Å; I70-C74 PolarHBondContact O-SG 2.95Å; K71-C74 CarbonylContact O-C 3.51Å; K71-C74 VanDerWaalsContact O-CA 3.31Å; K71-C74 WeakPolarHBondContact O-CA 3.3Å; K71-C74 WeakPolarHBondContact O-CB 3.42Å; K71-C74 PolarHBondContact O-N 3.11Å; C74-C77 PolarHBondContact O-N 3.12Å; C74-Y78 VanDerWaalsContact O-CB 3.29Å; C74-Y78 WeakPolarHBondContact O-CB 3.48Å; C74-Y78 PolarHBondContact O-N 3.24Å; C74-E94 HydrophobicContact CB-CG 4.22Å; C74-T96 HydrophobicContact CB-CG2 3.92Å; C74-L114 HydrophobicContact CB-CB 4.37Å; C74-T115 VanDerWaalsContact SG-C 3.59Å; C74-T115 PolarHBondContact SG-O 3.24Å; C74-T115 VanDerWaalsContact SG-O 3.35Å
75S85.6Confident89.4Confident40 Ų4034.4 Ų34.428%0.2818%0.18SC..Hα-helixtrans-64.1-44.2179.5-43.20000112.3K71 C77 Y78 D79 E94K71-S75 PolarHBondContact O-N 2.68Å; K71-S75 PolarHBondContact O-OG 2.92Å; S75-C77 VanDerWaalsContact C-N 3.33Å; S75-C77 PolarHBondContact O-N 2.61Å; S75-Y78 WeakPolarHBondContact O-CB 3.44Å; S75-Y78 PolarHBondContact O-N 3.07Å; S75-D79 PolarHBondContact O-N 3.1Å; S75-E94 WeakPolarHBondContact CA-OE2 3.42Å; S75-E94 VanDerWaalsContact CB-OE2 3.24Å; S75-E94 WeakPolarHBondContact CB-OE2 3.32Å; S75-E94 PolarHBondContact N-OE2 3.33Å; S75-E94 PolarHBondContact OG-OE1 3.31Å; S75-E94 PolarHBondContact OG-OE2 3.29Å
76Q84.7Confident89.2Confident72 Ų7236 Ų3634%0.33620%0.196SC..Hα-helixtrans-60.1-41.9175.8-176.5-175.1-19.300112A72 S80A72-Q76 WeakPolarHBondContact O-CB 3.4Å; A72-Q76 PolarHBondContact O-N 3.1Å; A72-Q76 VanDerWaalsContact O-N 3.1Å; Q76-S80 PolarHBondContact O-N 3.39Å
77C89.6Confident88.9Confident8 Ų841.2 Ų41.25%0.05423%0.23CC..Hα-helixtrans-73-33.4175.8-71.20000112Y66 L73 C74 S75 S80 W81 L114Y66-C77 HydrophobicContact CD1-CB 4.38Å; Y66-C77 HydrophobicContact CE1-CB 3.76Å; Y66-C77 PolarHBondContact OH-SG 3.33Å; Y66-C77 VanDerWaalsContact OH-SG 3.34Å; L73-C77 WeakPolarHBondContact O-CB 3.42Å; L73-C77 PolarHBondContact O-N 3.18Å; L73-C77 PolarHBondContact O-SG 3.09Å; L73-C77 VanDerWaalsContact O-SG 3.39Å; C74-C77 PolarHBondContact O-N 3.12Å; S75-C77 VanDerWaalsContact C-N 3.33Å; S75-C77 PolarHBondContact O-N 2.61Å; C77-S80 PolarHBondContact O-N 3.29Å; C77-W81 VanDerWaalsContact O-CB 3.26Å; C77-W81 WeakPolarHBondContact O-CB 3.45Å; C77-W81 PolarHBondContact O-N 3.32Å; C77-L114 HydrophobicContact CB-CD2 3.54Å
78Y91.7Very high88.5Confident82 Ų8242.7 Ų42.732%0.32224%0.238SC..Hα-helixtrans-63.5-46.3175.8171.8-94.4000111.2C74 S75 S80 W81 S82 C92 E94 L114C74-Y78 VanDerWaalsContact O-CB 3.29Å; C74-Y78 WeakPolarHBondContact O-CB 3.48Å; C74-Y78 PolarHBondContact O-N 3.24Å; S75-Y78 WeakPolarHBondContact O-CB 3.44Å; S75-Y78 PolarHBondContact O-N 3.07Å; Y78-S80 VanDerWaalsContact C-N 3.26Å; Y78-S80 PolarHBondContact O-N 2.92Å; Y78-W81 PolarHBondContact O-N 3.31Å; Y78-S82 WeakPolarHBondContact O-CB 3.48Å; Y78-S82 PolarHBondContact O-N 2.88Å; Y78-S82 PolarHBondContact O-OG 3.39Å; Y78-C92 HydrophobicContact CD2-CB 4.03Å; Y78-C92 HydrophobicContact CE2-CB 4.04Å; Y78-E94 HydrophobicContact CD2-CB 4.21Å; Y78-E94 HydrophobicContact CG-CB 4.31Å; Y78-L114 HydrophobicContact CD2-CD1 4.3Å
79D89.8Confident88.3Confident89 Ų8945.4 Ų45.448%0.47627%0.265SS..Hα-helixtrans-63.4-29.4176.6-84.3-23.1000113.4S75 K83S75-D79 PolarHBondContact O-N 3.1Å; D79-K83 WeakPolarHBondContact O-CD 3.38Å; D79-K83 VanDerWaalsContact O-CE 3.26Å; D79-K83 WeakPolarHBondContact O-CE 3.33Å; D79-K83 WeakPolarHBondContact O-CG 3.43Å; D79-K83 PolarHBondContact O-NZ 3.2Å
80S89.9Confident88.6Confident38 Ų3845.2 Ų45.227%0.26626%0.264SS..Hα-helixtrans-79.1-53.2175.8176.80000111.1Q76 C77 Y78 K83 K84Q76-S80 PolarHBondContact O-N 3.39Å; C77-S80 PolarHBondContact O-N 3.29Å; Y78-S80 VanDerWaalsContact C-N 3.26Å; Y78-S80 PolarHBondContact O-N 2.92Å; S80-K83 PolarHBondContact O-N 3.4Å; S80-K84 PolarHBondContact O-N 2.78Å
81W93.9Very high89Confident0 Ų046.3 Ų46.30%027%0.273CS..Hα-helixtrans-74.7-31.8-171.3-70.2-0.5000113.2T41 F44 E45 I48 Y66 C77 Y78 K83 K84 F85 I112 L114 L140T41-W81 HydrophobicContact CG2-CZ2 4.17Å; F44-W81 HydrophobicContact CB-CH2 3.81Å; F44-W81 HydrophobicContact CB-CZ2 3.77Å; E45-W81 HydrophobicContact CG-CZ2 4.25Å; E45-W81 PolarHBondContact OE1-NE1 3.45Å; I48-W81 HydrophobicContact CD1-CE3 4.13Å; I48-W81 HydrophobicContact CD1-CH2 3.85Å; I48-W81 HydrophobicContact CD1-CZ2 4.26Å; I48-W81 HydrophobicContact CD1-CZ3 3.76Å; Y66-W81 HydrophobicContact CD1-CZ3 4.33Å; Y66-W81 AromaticContact CD2-CH2 3.65Å; Y66-W81 HydrophobicContact CD2-CH2 3.65Å; Y66-W81 HydrophobicContact CD2-CZ3 4.11Å; Y66-W81 HydrophobicContact CE2-CH2 4.23Å; Y66-W81 AromaticContact CG-CH2 3.82Å; Y66-W81 HydrophobicContact CG-CH2 3.82Å; Y66-W81 AromaticContact CG-CZ3 3.78Å; Y66-W81 HydrophobicContact CG-CZ3 3.78Å; C77-W81 VanDerWaalsContact O-CB 3.26Å; C77-W81 WeakPolarHBondContact O-CB 3.45Å; C77-W81 PolarHBondContact O-N 3.32Å; Y78-W81 PolarHBondContact O-N 3.31Å; W81-K83 PolarHBondContact O-N 2.86Å; W81-K84 PolarHBondContact O-N 2.7Å; W81-F85 HydrophobicContact CB-CD2 3.82Å; W81-F85 HydrophobicContact CB-CE2 4.24Å; W81-F85 AromaticContact CD1-CE2 3.95Å; W81-F85 HydrophobicContact CD2-CE2 4.26Å; W81-F85 HydrophobicContact CG-CD2 4.02Å; W81-F85 AromaticContact CG-CE2 3.9Å; W81-F85 HydrophobicContact CG-CE2 3.9Å; W81-F85 WeakPolarHBondContact O-CB 3.45Å; W81-F85 PolarHBondContact O-N 3.47Å; W81-I112 HydrophobicContact CE3-CG2 3.86Å; W81-I112 HydrophobicContact CZ3-CG2 4.07Å; W81-L114 HydrophobicContact CE3-CD2 4Å; W81-L114 HydrophobicContact CE3-CG 4.43Å; W81-L114 HydrophobicContact CZ3-CD2 4.36Å; W81-L140 HydrophobicContact CH2-CD1 4.24Å; W81-L140 HydrophobicContact CZ3-CD1 4.44Å
82S93.1Very high89.4Confident37 Ų3743.9 Ų43.926%0.25926%0.264SS..Hα-helixtrans-60.3-33.7170.9-560000111.7Y78 G86Y78-S82 WeakPolarHBondContact O-CB 3.48Å; Y78-S82 PolarHBondContact O-N 2.88Å; Y78-S82 PolarHBondContact O-OG 3.39Å; S82-G86 WeakPolarHBondContact O-CA 3.39Å; S82-G86 PolarHBondContact O-N 3.07Å
83K92.1Very high89.9Confident146 Ų14643.6 Ų43.664%0.63526%0.256SS*.Hα-helixtrans-79.5-38.1176.3-62.9173.5-1691270112.6D79 S80 W81 P87D79-K83 WeakPolarHBondContact O-CD 3.38Å; D79-K83 VanDerWaalsContact O-CE 3.26Å; D79-K83 WeakPolarHBondContact O-CE 3.33Å; D79-K83 WeakPolarHBondContact O-CG 3.43Å; D79-K83 PolarHBondContact O-NZ 3.2Å; S80-K83 PolarHBondContact O-N 3.4Å; W81-K83 PolarHBondContact O-N 2.86Å; K83-P87 WeakPolarHBondContact O-CD 3.3Å; K83-P87 WeakPolarHBondContact O-CG 3.49Å
84K91.9Very high90.3Very high29 Ų2944.6 Ų44.613%0.12626%0.26CS..Hα-helixtrans-76.2-43-179.6-75.6179.7171.3-175.50114I5 E8 E45 S80 W81I5-K84 HydrophobicContact CG2-CB 4.33Å; I5-K84 HydrophobicContact CG2-CD 4.09Å; I5-K84 HydrophobicContact CG2-CG 4.47Å; I5-K84 WeakPolarHBondContact O-CE 3.46Å; E8-K84 IonicContact OE2-NZ 3.28Å; E45-K84 IonicContact OE1-NZ 3.64Å; E45-K84 PolarHBondContact OE1-NZ 2.81Å; E45-K84 IonicContact OE2-NZ 3.43Å; E45-K84 PolarHBondContact OE2-NZ 3.13Å; S80-K84 PolarHBondContact O-N 2.78Å; W81-K84 PolarHBondContact O-N 2.7Å
85F92.3Very high90.1Very high0 Ų044.6 Ų44.60%026%0.26CS..Hα-helixtrans-102.4-23.9-172.9-65.3-79.8000113.6I5 E45 I48 I49 L52 W81 L88 L90 I112I5-F85 HydrophobicContact CD1-CD1 4.06Å; I5-F85 HydrophobicContact CD1-CE1 3.65Å; I5-F85 HydrophobicContact CD1-CZ 4.33Å; E45-F85 HydrophobicContact CB-CZ 4.31Å; E45-F85 HydrophobicContact CG-CE2 4.31Å; E45-F85 HydrophobicContact CG-CZ 4.36Å; I48-F85 HydrophobicContact CB-CE1 4.24Å; I48-F85 HydrophobicContact CB-CZ 4.09Å; I48-F85 HydrophobicContact CD1-CE2 4.27Å; I48-F85 HydrophobicContact CD1-CZ 4.15Å; I48-F85 HydrophobicContact CG2-CD1 4.18Å; I48-F85 HydrophobicContact CG2-CE1 3.54Å; I48-F85 HydrophobicContact CG2-CZ 3.81Å; I49-F85 HydrophobicContact CG1-CE1 4.49Å; L52-F85 HydrophobicContact CD1-CE1 4.47Å; W81-F85 HydrophobicContact CB-CD2 3.82Å; W81-F85 HydrophobicContact CB-CE2 4.24Å; W81-F85 AromaticContact CD1-CE2 3.95Å; W81-F85 HydrophobicContact CD2-CE2 4.26Å; W81-F85 HydrophobicContact CG-CD2 4.02Å; W81-F85 AromaticContact CG-CE2 3.9Å; W81-F85 HydrophobicContact CG-CE2 3.9Å; W81-F85 WeakPolarHBondContact O-CB 3.45Å; W81-F85 PolarHBondContact O-N 3.47Å; F85-L88 HydrophobicContact CD1-CD1 4.38Å; F85-L88 WeakPolarHBondContact O-CA 3.37Å; F85-L88 WeakPolarHBondContact O-CB 3.4Å; F85-L88 PolarHBondContact O-N 3.16Å; F85-L90 HydrophobicContact CB-CB 4.09Å; F85-L90 HydrophobicContact CB-CD1 4.07Å; F85-L90 HydrophobicContact CD1-CD1 3.92Å; F85-L90 HydrophobicContact CG-CD1 4.41Å; F85-L90 PolarHBondContact O-N 3.29Å; F85-I112 HydrophobicContact CB-CD1 4.2Å; F85-I112 HydrophobicContact CD2-CD1 4.14Å; F85-I112 HydrophobicContact CG-CD1 4.05Å
86G90.3Very high89.9Confident34 Ų3442.9 Ų42.935%0.35125%0.248SC..G310 helixtrans-52.5-44.4174.200000114.2S82 L88 G89S82-G86 WeakPolarHBondContact O-CA 3.39Å; S82-G86 PolarHBondContact O-N 3.07Å; G86-L88 PolarHBondContact O-N 3.16Å; G86-G89 PolarHBondContact O-N 3.32Å
87P90.2Very high88.9Confident109 Ų10941.6 Ų41.671%0.70825%0.254SS*.G310 helixtrans-63.7-7.6174.3-24.935.9000115.6K83K83-P87 WeakPolarHBondContact O-CD 3.3Å; K83-P87 WeakPolarHBondContact O-CG 3.49Å
88L88.1Confident87.4Confident32 Ų3245.4 Ų45.417%0.16827%0.273CS..G310 helixtrans-98.40.2172.4-57.4175.5000112.6F2 I5 W59 F85 G86 L90F2-L88 HydrophobicContact CD1-CD1 3.95Å; F2-L88 HydrophobicContact CE1-CD1 4.26Å; I5-L88 HydrophobicContact CD1-CD1 3.87Å; I5-L88 HydrophobicContact CG1-CD1 4.27Å; W59-L88 HydrophobicContact CH2-CB 4.42Å; W59-L88 HydrophobicContact CZ3-CB 4.07Å; W59-L88 WeakPolarHBondContact CZ3-O 3.44Å; F85-L88 HydrophobicContact CD1-CD1 4.38Å; F85-L88 WeakPolarHBondContact O-CA 3.37Å; F85-L88 WeakPolarHBondContact O-CB 3.4Å; F85-L88 PolarHBondContact O-N 3.16Å; G86-L88 PolarHBondContact O-N 3.16Å; L88-L90 HydrophobicContact CB-CD1 4.47Å
89G87.9Confident85.9Confident57 Ų5742.8 Ų42.859%0.58827%0.266SS*.THydrogen-bonded Turntrans89.69.4-177.500000114.9G86G86-G89 PolarHBondContact O-N 3.32Å
90L90.6Very high84.2Confident7 Ų744.5 Ų44.54%0.03727%0.271CS..PPolyproline II helixtrans-91.4129.2-177.9-67.6164.1000111.5L52 W59 F85 L88 H111L52-L90 HydrophobicContact CD1-CD1 3.55Å; L52-L90 HydrophobicContact CD2-CD1 3.88Å; L52-L90 HydrophobicContact CD2-CD2 3.94Å; L52-L90 HydrophobicContact CG-CD1 4.37Å; W59-L90 HydrophobicContact CD2-CD2 4.46Å; W59-L90 HydrophobicContact CE3-CD1 4.25Å; W59-L90 HydrophobicContact CE3-CD2 3.67Å; W59-L90 HydrophobicContact CE3-CG 3.9Å; W59-L90 HydrophobicContact CZ3-CD1 4.04Å; W59-L90 HydrophobicContact CZ3-CD2 4.27Å; W59-L90 HydrophobicContact CZ3-CG 3.99Å; F85-L90 HydrophobicContact CB-CB 4.09Å; F85-L90 HydrophobicContact CB-CD1 4.07Å; F85-L90 HydrophobicContact CD1-CD1 3.92Å; F85-L90 HydrophobicContact CG-CD1 4.41Å; F85-L90 PolarHBondContact O-N 3.29Å; L88-L90 HydrophobicContact CB-CD1 4.47Å; L90-H111 HydrophobicContact CD2-CB 3.74Å
91T91.3Very high82.5Confident64 Ų6447.8 Ų47.839%0.39329%0.285SS..PPolyproline II helixtrans-91122.8177.948.60000111.3D109 S110 H111 I112T91-D109 PolarHBondContact OG1-O 2.92Å; T91-S110 WeakPolarHBondContact OG1-CA 3.45Å; T91-H111 PolarHBondContact N-ND1 2.71Å; T91-H111 PolarHBondContact O-N 3.37Å; T91-H111 PolarHBondContact OG1-N 3.36Å; T91-H111 PolarHBondContact OG1-ND1 3.03Å; T91-I112 PolarHBondContact O-N 3.12Å
92C92.4Very high80.3Confident19 Ų1951.9 Ų51.913%0.12831%0.307CS..EExtended strand (participates in β ladder)trans-96.4145.2170.7-60.50000110.5Y78 I112 L114Y78-C92 HydrophobicContact CD2-CB 4.03Å; Y78-C92 HydrophobicContact CE2-CB 4.04Å; C92-I112 CarbonylContact C-O 3.54Å; C92-I112 WeakPolarHBondContact CA-O 3.37Å; C92-L114 HydrophobicContact CB-CD1 4.24Å
93K90.9Very high78.5Confident34 Ų3452 Ų5215%0.14830%0.304CS..EExtended strand (participates in β ladder)trans-137128.2171.8-177.671.6-179-174.80110.3D103 E106 I112 L114K93-D103 WeakPolarHBondContact CE-OD2 3.43Å; K93-D103 IonicContact NZ-OD2 3.11Å; K93-D103 PolarHBondContact NZ-OD2 3.25Å; K93-E106 WeakPolarHBondContact CE-OE2 3.33Å; K93-E106 IonicContact NZ-OE2 3.74Å; K93-E106 PolarHBondContact NZ-OE2 3.06Å; K93-I112 PolarHBondContact N-O 2.59Å; K93-L114 PolarHBondContact O-N 2.8Å
94E90.2Very high76.8Confident39 Ų3947.2 Ų47.218%0.18229%0.286CS..EExtended strand (participates in β ladder)trans-80.1128.3165.7-172.1-174.4138.700109.7C74 S75 Y78 T96C74-E94 HydrophobicContact CB-CG 4.22Å; S75-E94 WeakPolarHBondContact CA-OE2 3.42Å; S75-E94 VanDerWaalsContact CB-OE2 3.24Å; S75-E94 WeakPolarHBondContact CB-OE2 3.32Å; S75-E94 PolarHBondContact N-OE2 3.33Å; S75-E94 PolarHBondContact OG-OE1 3.31Å; S75-E94 PolarHBondContact OG-OE2 3.29Å; Y78-E94 HydrophobicContact CD2-CB 4.21Å; Y78-E94 HydrophobicContact CG-CB 4.31Å; E94-T96 HydrophobicContact CG-CG2 3.7Å; E94-T96 WeakPolarHBondContact OE1-CB 2.95Å; E94-T96 WeakPolarHBondContact OE1-CG2 3.37Å; E94-T96 PolarHBondContact OE1-OG1 3.35Å
95L86.8Confident75.4Confident1 Ų154.1 Ų54.11%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-123.190.8174.8-174.674.4000108.6T99 I107 I113 L114 T115 K119 W120 M123L95-T99 HydrophobicContact CD1-CG2 4.43Å; L95-I107 HydrophobicContact CD1-CD1 3.67Å; L95-I107 HydrophobicContact CD1-CG1 4.45Å; L95-I107 HydrophobicContact CD2-CD1 3.99Å; L95-I107 HydrophobicContact CG-CD1 4.42Å; L95-I113 HydrophobicContact CB-CG2 4.23Å; L95-I113 HydrophobicContact CD2-CG2 4.41Å; L95-L114 PolarHBondContact N-O 3.27Å; L95-T115 WeakPolarHBondContact O-CA 3.43Å; L95-T115 PolarHBondContact O-OG1 3.32Å; L95-K119 HydrophobicContact CD2-CG 4.2Å; L95-K119 HydrophobicContact CG-CD 4.4Å; L95-K119 HydrophobicContact CG-CG 3.76Å; L95-K119 WeakPolarHBondContact O-CG 3.31Å; L95-W120 HydrophobicContact CD2-CE3 4.5Å; L95-M123 HydrophobicContact CD2-CG 4.35Å
96T80.8Confident74.1Confident3 Ų359.4 Ų59.42%0.01834%0.341CS..  trans-123.8178.4177.664.40000112.2K71 C74 E94 D98 T99 T116 K119K71-T96 HydrophobicContact CB-CG2 4.18Å; K71-T96 HydrophobicContact CG-CG2 4.1Å; C74-T96 HydrophobicContact CB-CG2 3.92Å; E94-T96 HydrophobicContact CG-CG2 3.7Å; E94-T96 WeakPolarHBondContact OE1-CB 2.95Å; E94-T96 WeakPolarHBondContact OE1-CG2 3.37Å; E94-T96 PolarHBondContact OE1-OG1 3.35Å; T96-D98 PolarHBondContact O-N 3.35Å; T96-D98 VanDerWaalsContact O-N 3.09Å; T96-T99 PolarHBondContact N-OG1 2.95Å; T96-T99 WeakPolarHBondContact O-CB 3.17Å; T96-T99 PolarHBondContact O-N 3.01Å; T96-T99 VanDerWaalsContact O-N 3.14Å; T96-T99 PolarHBondContact O-OG1 2.83Å; T96-T116 HydrophobicContact CG2-CG2 4.23Å; T96-K119 VanDerWaalsContact O-CD 3.31Å; T96-K119 WeakPolarHBondContact O-CD 3.48Å; T96-K119 WeakPolarHBondContact O-CE 3.42Å; T96-K119 PolarHBondContact O-NZ 3.19Å
97G64.1Low73.4Confident45 Ų4557.8 Ų57.846%0.46432%0.324SS..THydrogen-bonded Turntrans-71.29.7-17800000116.1K71K71-G97 VanDerWaalsContact NZ-C 3.27Å; K71-G97 PolarHBondContact NZ-O 2.83Å
98D58.3Low72.6Confident88 Ų8857.5 Ų57.547%0.47131%0.313SS..THydrogen-bonded Turntrans-112.1-16165.7-57.1-62.1000112.4K71 T96 R616K71-D98 WeakPolarHBondContact CD-OD2 3.41Å; K71-D98 IonicContact NZ-OD1 2.62Å; K71-D98 PolarHBondContact NZ-OD1 3.12Å; K71-D98 IonicContact NZ-OD2 3.11Å; K71-D98 PolarHBondContact NZ-OD2 2.77Å; T96-D98 PolarHBondContact O-N 3.35Å; T96-D98 VanDerWaalsContact O-N 3.09Å; D98-R616 IonicContact OD1-CZ 3.95Å; D98-R616 IonicContact OD1-NH1 3.64Å; D98-R616 PolarHBondContact OD1-NH1 2.65Å; D98-R616 IonicContact OD1-NH2 2.78Å
99T58.7Low72.2Confident28 Ų2861.6 Ų61.617%0.17234%0.335CS..SBendtrans-61.4135.1167.6-39.20000109.7L95 T96 D103 K119L95-T99 HydrophobicContact CD1-CG2 4.43Å; T96-T99 PolarHBondContact N-OG1 2.95Å; T96-T99 WeakPolarHBondContact O-CB 3.17Å; T96-T99 PolarHBondContact O-N 3.01Å; T96-T99 VanDerWaalsContact O-N 3.14Å; T96-T99 PolarHBondContact O-OG1 2.83Å; T99-D103 HydrophobicContact CG2-CB 3.71Å; T99-D103 VanDerWaalsContact CG2-OD2 3.23Å; T99-D103 WeakPolarHBondContact CG2-OD2 3.43Å; T99-K119 PolarHBondContact O-NZ 3.42Å
100E55.5Low72.3Confident124 Ų12459 Ų5958%0.57931%0.308SS*.  trans-75-169.4-179.9-62.1-140.9127.400111.8
101I53.1Low72.3Confident108 Ų10860.3 Ų60.355%0.55431%0.314SS*.SBendtrans-92.5-27-177.2-65.4177.4000111.3D103 L104I101-D103 VanDerWaalsContact C-N 3.3Å; I101-D103 PolarHBondContact O-N 3.02Å; I101-L104 HydrophobicContact CG2-CD1 3.86Å; I101-L104 WeakPolarHBondContact O-CB 3.35Å; I101-L104 WeakPolarHBondContact O-CD1 3.48Å; I101-L104 WeakPolarHBondContact O-CG 3.43Å; I101-L104 PolarHBondContact O-N 3.39Å
102D48.7Very low72.4Confident85 Ų8557.4 Ų57.446%0.45530%0.296SS..G310 helixtrans-75-20.7-175.8-58.4-50.6000112.2L104 H757D102-L104 PolarHBondContact O-N 2.77Å; D102-H757 IonicContact OD1-ND1 2.79Å; D102-H757 PolarHBondContact OD1-ND1 3.01Å; D102-H757 IonicContact OD2-CE1 2.99Å; D102-H757 PolarHBondContact OD2-CE1 3.12Å; D102-H757 VanDerWaalsContact OD2-CE1 3.23Å; D102-H757 IonicContact OD2-ND1 3.86Å; D102-H757 PolarHBondContact OD2-ND1 3.35Å
103D54.7Low72.5Confident40 Ų4056.5 Ų56.521%0.21429%0.29CS..G310 helixtrans-55.3-14.4165.7-71.369000115K93 T99 I101 F105 E106K93-D103 WeakPolarHBondContact CE-OD2 3.43Å; K93-D103 IonicContact NZ-OD2 3.11Å; K93-D103 PolarHBondContact NZ-OD2 3.25Å; T99-D103 HydrophobicContact CG2-CB 3.71Å; T99-D103 VanDerWaalsContact CG2-OD2 3.23Å; T99-D103 WeakPolarHBondContact CG2-OD2 3.43Å; I101-D103 VanDerWaalsContact C-N 3.3Å; I101-D103 PolarHBondContact O-N 3.02Å; D103-F105 PolarHBondContact O-N 2.99Å; D103-F105 VanDerWaalsContact O-N 3.13Å; D103-E106 PolarHBondContact O-N 2.97Å
104L57.1Low72.7Confident46 Ų4654.9 Ų54.924%0.24128%0.283CS..G310 helixtrans-58.4-26.6-176-77.7174.7000113.5I101 D102 I107 M123 W127I101-L104 HydrophobicContact CG2-CD1 3.86Å; I101-L104 WeakPolarHBondContact O-CB 3.35Å; I101-L104 WeakPolarHBondContact O-CD1 3.48Å; I101-L104 WeakPolarHBondContact O-CG 3.43Å; I101-L104 PolarHBondContact O-N 3.39Å; D102-L104 PolarHBondContact O-N 2.77Å; L104-I107 HydrophobicContact CD2-CD1 3.67Å; L104-M123 HydrophobicContact CD2-CE 4.18Å; L104-M123 HydrophobicContact CD2-CG 3.87Å; L104-W127 HydrophobicContact CB-CZ3 4.3Å; L104-W127 HydrophobicContact CD2-CZ3 4.34Å
105F62.1Low72.8Confident173 Ų17353 Ų5376%0.75927%0.274SS*.G310 helixtrans-69.1-40.9175.2-71.7-80.2000112.3D103 I107 H108D103-F105 PolarHBondContact O-N 2.99Å; D103-F105 VanDerWaalsContact O-N 3.13Å; F105-I107 PolarHBondContact O-N 2.96Å; F105-I107 VanDerWaalsContact O-N 3.14Å; F105-H108 VanDerWaalsContact O-CB 3.28Å; F105-H108 WeakPolarHBondContact O-CB 3.39Å; F105-H108 PolarHBondContact O-N 3.35Å
106E65Low73.1Confident111 Ų11153.3 Ų53.352%0.51928%0.276SS..THydrogen-bonded Turntrans-64.9-20-179-59.9-175.5-174.400113.1K93 D103 H108 D109 S110K93-E106 WeakPolarHBondContact CE-OE2 3.33Å; K93-E106 IonicContact NZ-OE2 3.74Å; K93-E106 PolarHBondContact NZ-OE2 3.06Å; D103-E106 PolarHBondContact O-N 2.97Å; E106-H108 PolarHBondContact O-N 3.03Å; E106-D109 PolarHBondContact O-N 2.92Å; E106-S110 PolarHBondContact O-N 3.19Å
107I74.1Confident73.7Confident0 Ų053.3 Ų53.30%028%0.276CS..THydrogen-bonded Turntrans-64.2-32.2174.4-52.3177.8000110.9K63 L95 L104 F105 D109 S110 I113 M123 L132K63-I107 PolarHBondContact NZ-O 2.87Å; L95-I107 HydrophobicContact CD1-CD1 3.67Å; L95-I107 HydrophobicContact CD1-CG1 4.45Å; L95-I107 HydrophobicContact CD2-CD1 3.99Å; L95-I107 HydrophobicContact CG-CD1 4.42Å; L104-I107 HydrophobicContact CD2-CD1 3.67Å; F105-I107 PolarHBondContact O-N 2.96Å; F105-I107 VanDerWaalsContact O-N 3.14Å; I107-D109 PolarHBondContact O-N 3.44Å; I107-S110 WeakPolarHBondContact CA-OG 3.22Å; I107-S110 PolarHBondContact O-N 3.27Å; I107-S110 PolarHBondContact O-OG 2.96Å; I107-I113 HydrophobicContact CG2-CD1 3.54Å; I107-I113 HydrophobicContact CG2-CG1 4.12Å; I107-M123 HydrophobicContact CD1-CE 4.13Å; I107-L132 HydrophobicContact CG2-CD1 4.26Å; I107-L132 HydrophobicContact CG2-CD2 3.65Å
108H75.3Confident74.9Confident104 Ų10454 Ų5448%0.48127%0.267SS..THydrogen-bonded Turntrans-61.4-35.1177.6-173.2-83.1000112K63 F105 E106K63-H108 PolarHBondContact NZ-O 3.28Å; F105-H108 VanDerWaalsContact O-CB 3.28Å; F105-H108 WeakPolarHBondContact O-CB 3.39Å; F105-H108 PolarHBondContact O-N 3.35Å; E106-H108 PolarHBondContact O-N 3.03Å
109D79.6Confident76.3Confident117 Ų11751.5 Ų51.563%0.62625%0.252SS*.THydrogen-bonded Turntrans-101.55.1-176.7-54.2-24000112.5T91 E106 I107T91-D109 PolarHBondContact OG1-O 2.92Å; E106-D109 PolarHBondContact O-N 2.92Å; I107-D109 PolarHBondContact O-N 3.44Å
110S88.3Confident77.8Confident3 Ų350.2 Ų50.22%0.02124%0.244CC..  trans-85135.8171.674.40000112.5K63 T91 E106 I107 I113K63-S110 PolarHBondContact NZ-O 2.78Å; T91-S110 WeakPolarHBondContact OG1-CA 3.45Å; E106-S110 PolarHBondContact O-N 3.19Å; I107-S110 WeakPolarHBondContact CA-OG 3.22Å; I107-S110 PolarHBondContact O-N 3.27Å; I107-S110 PolarHBondContact O-OG 2.96Å; S110-I113 VanDerWaalsContact OG-CG1 3.29Å; S110-I113 WeakPolarHBondContact OG-CG1 3.21Å
111H91.8Very high79.4Confident34 Ų3444.7 Ų44.716%0.15722%0.218CC..SBendtrans-92.3-34.1175.3-62.576.3000111.9W59 K63 A64 L90 T91W59-H111 PolarHBondContact O-CD2 3.42Å; W59-H111 VanDerWaalsContact O-CD2 3.27Å; W59-H111 PolarHBondContact O-NE2 2.86Å; K63-H111 WeakPolarHBondContact CA-O 3.34Å; A64-H111 PolarHBondContact N-O 2.94Å; L90-H111 HydrophobicContact CD2-CB 3.74Å; T91-H111 PolarHBondContact N-ND1 2.71Å; T91-H111 PolarHBondContact O-N 3.37Å; T91-H111 PolarHBondContact OG1-N 3.36Å; T91-H111 PolarHBondContact OG1-ND1 3.03Å
112I94.1Very high80.9Confident3 Ų340.8 Ų40.82%0.01520%0.201CC..EExtended strand (participates in β ladder)trans-125.1113.5-178.5-53.1174.9000109.4I48 A64 W81 F85 T91 C92 K93 L114I48-I112 HydrophobicContact CD1-CD1 4.43Å; I48-I112 HydrophobicContact CG2-CD1 4.27Å; A64-I112 WeakPolarHBondContact O-CA 3.27Å; W81-I112 HydrophobicContact CE3-CG2 3.86Å; W81-I112 HydrophobicContact CZ3-CG2 4.07Å; F85-I112 HydrophobicContact CB-CD1 4.2Å; F85-I112 HydrophobicContact CD2-CD1 4.14Å; F85-I112 HydrophobicContact CG-CD1 4.05Å; T91-I112 PolarHBondContact O-N 3.12Å; C92-I112 CarbonylContact C-O 3.54Å; C92-I112 WeakPolarHBondContact CA-O 3.37Å; K93-I112 PolarHBondContact N-O 2.59Å; I112-L114 HydrophobicContact CG2-CD1 4.08Å
113I93.5Very high82.5Confident0 Ų037.2 Ų37.20%018%0.181CC..EExtended strand (participates in β ladder)trans-103.7122.1-177.4-59162000108.9A64 V65 Y66 L95 I107 S110 W120A64-I113 PolarHBondContact O-N 3.23Å; V65-I113 WeakPolarHBondContact CA-O 3.28Å; V65-I113 HydrophobicContact CG2-CD1 4.43Å; Y66-I113 PolarHBondContact N-O 3.48Å; L95-I113 HydrophobicContact CB-CG2 4.23Å; L95-I113 HydrophobicContact CD2-CG2 4.41Å; I107-I113 HydrophobicContact CG2-CD1 3.54Å; I107-I113 HydrophobicContact CG2-CG1 4.12Å; S110-I113 VanDerWaalsContact OG-CG1 3.29Å; S110-I113 WeakPolarHBondContact OG-CG1 3.21Å; I113-W120 HydrophobicContact CD1-CH2 4.5Å; I113-W120 HydrophobicContact CD1-CZ3 4.27Å; I113-W120 HydrophobicContact CG2-CZ3 4.16Å
114L94.3Very high83.8Confident0 Ų035.4 Ų35.40%017%0.172CC..EExtended strand (participates in β ladder)trans-107.5121178-61.993000110Y66 C74 C77 Y78 W81 C92 K93 L95 I112Y66-L114 HydrophobicContact CD1-CB 4.18Å; Y66-L114 HydrophobicContact CD1-CD2 3.74Å; Y66-L114 HydrophobicContact CD1-CG 3.98Å; Y66-L114 HydrophobicContact CE1-CD2 4.24Å; Y66-L114 CarbonylContact O-C 3.6Å; Y66-L114 WeakPolarHBondContact O-CA 3.16Å; C74-L114 HydrophobicContact CB-CB 4.37Å; C77-L114 HydrophobicContact CB-CD2 3.54Å; Y78-L114 HydrophobicContact CD2-CD1 4.3Å; W81-L114 HydrophobicContact CE3-CD2 4Å; W81-L114 HydrophobicContact CE3-CG 4.43Å; W81-L114 HydrophobicContact CZ3-CD2 4.36Å; C92-L114 HydrophobicContact CB-CD1 4.24Å; K93-L114 PolarHBondContact O-N 2.8Å; L95-L114 PolarHBondContact N-O 3.27Å; I112-L114 HydrophobicContact CG2-CD1 4.08Å
115T93.6Very high84.9Confident0 Ų034.4 Ų34.40%017%0.165CC..EExtended strand (participates in β ladder)trans-146.4166-165.4-172.20000113.8V65 Y66 M67 A68 C74 L95 W120V65-T115 HydrophobicContact CG1-CG2 3.83Å; Y66-T115 PolarHBondContact O-N 3.12Å; M67-T115 WeakPolarHBondContact CA-O 3.18Å; M67-T115 HydrophobicContact CB-CG2 4.35Å; A68-T115 PolarHBondContact N-O 3.08Å; C74-T115 VanDerWaalsContact SG-C 3.59Å; C74-T115 PolarHBondContact SG-O 3.24Å; C74-T115 VanDerWaalsContact SG-O 3.35Å; L95-T115 WeakPolarHBondContact O-CA 3.43Å; L95-T115 PolarHBondContact O-OG1 3.32Å; T115-W120 HydrophobicContact CG2-CB 3.99Å; T115-W120 HydrophobicContact CG2-CD2 4.36Å; T115-W120 HydrophobicContact CG2-CE3 4.06Å; T115-W120 HydrophobicContact CG2-CG 4.38Å; T115-W120 PolarHBondContact OG1-N 3.04Å
116T92.8Very high85.2Confident7 Ų730.5 Ų30.54%0.04315%0.148CC..  trans-103.3157.4166.278.80000110.8K71 T96 E118 K119 W120K71-T116 HydrophobicContact CG-CG2 4.23Å; T96-T116 HydrophobicContact CG2-CG2 4.23Å; T116-E118 VanDerWaalsContact C-N 3.25Å; T116-E118 VanDerWaalsContact CB-OE2 3.25Å; T116-E118 WeakPolarHBondContact CB-OE2 3.2Å; T116-E118 PolarHBondContact O-N 2.85Å; T116-E118 PolarHBondContact OG1-OE2 3.46Å; T116-K119 PolarHBondContact O-N 2.9Å; T116-K119 VanDerWaalsContact O-N 3.15Å; T116-W120 PolarHBondContact O-N 2.82Å
117P92.4Very high85.2Confident4 Ų428.5 Ų28.53%0.02614%0.135CC..Hα-helixtrans-51.5-41.8180-27.133.7000113.7M67 D121 T155 L156M67-P117 HydrophobicContact CG-CG 3.94Å; M67-P117 HydrophobicContact SD-CB 3.95Å; M67-P117 HydrophobicContact SD-CG 3.75Å; P117-D121 WeakPolarHBondContact O-CB 3.35Å; P117-D121 PolarHBondContact O-N 2.89Å; P117-T155 HydrophobicContact CB-CG2 4.05Å; P117-L156 HydrophobicContact CB-CB 4.34Å; P117-L156 HydrophobicContact CG-CB 4.2Å; P117-L156 HydrophobicContact CG-CD1 4.47Å
118E89.8Confident84.1Confident60 Ų6037.1 Ų37.128%0.2817%0.173SC..Hα-helixtrans-71.3-35.8-176.7-48.176.1-168.200112.5T116 S122 R152T116-E118 VanDerWaalsContact C-N 3.25Å; T116-E118 VanDerWaalsContact CB-OE2 3.25Å; T116-E118 WeakPolarHBondContact CB-OE2 3.2Å; T116-E118 PolarHBondContact O-N 2.85Å; T116-E118 PolarHBondContact OG1-OE2 3.46Å; E118-S122 WeakPolarHBondContact O-CB 3.35Å; E118-S122 PolarHBondContact O-N 3.28Å; E118-R152 VanDerWaalsContact CD-NH2 3.32Å; E118-R152 IonicContact OE1-CZ 3.92Å; E118-R152 IonicContact OE1-NE 2.69Å; E118-R152 PolarHBondContact OE1-NE 3.33Å; E118-R152 IonicContact OE1-NH2 3.18Å; E118-R152 PolarHBondContact OE1-NH2 3.11Å; E118-R152 IonicContact OE2-NH2 3.55Å; E118-R152 PolarHBondContact OE2-NH2 2.83Å
119K88.3Confident83.1Confident35 Ų3538 Ų3815%0.15218%0.181CC..Hα-helixtrans-75.3-38.4178.6-17771.5174.5-149.90110.4L95 T96 T99 T116 M123L95-K119 HydrophobicContact CD2-CG 4.2Å; L95-K119 HydrophobicContact CG-CD 4.4Å; L95-K119 HydrophobicContact CG-CG 3.76Å; L95-K119 WeakPolarHBondContact O-CG 3.31Å; T96-K119 VanDerWaalsContact O-CD 3.31Å; T96-K119 WeakPolarHBondContact O-CD 3.48Å; T96-K119 WeakPolarHBondContact O-CE 3.42Å; T96-K119 PolarHBondContact O-NZ 3.19Å; T99-K119 PolarHBondContact O-NZ 3.42Å; T116-K119 PolarHBondContact O-N 2.9Å; T116-K119 VanDerWaalsContact O-N 3.15Å; K119-M123 WeakPolarHBondContact O-CB 3.28Å; K119-M123 PolarHBondContact O-N 2.88Å
120W89.5Confident82.1Confident1 Ų135 Ų350%0.00417%0.165CC..Hα-helixtrans-66.1-43.4172.7-169-103.3000112.1V65 L95 I113 T115 T116 M123 T124 L132 L133 V136 F139 M163V65-W120 HydrophobicContact CG1-CD2 4.28Å; V65-W120 HydrophobicContact CG1-CE3 4.12Å; V65-W120 HydrophobicContact CG1-CH2 4.23Å; V65-W120 HydrophobicContact CG1-CZ2 4.37Å; V65-W120 HydrophobicContact CG1-CZ3 4.11Å; V65-W120 HydrophobicContact CG2-CH2 3.53Å; V65-W120 HydrophobicContact CG2-CZ2 3.91Å; V65-W120 HydrophobicContact CG2-CZ3 4.04Å; L95-W120 HydrophobicContact CD2-CE3 4.5Å; I113-W120 HydrophobicContact CD1-CH2 4.5Å; I113-W120 HydrophobicContact CD1-CZ3 4.27Å; I113-W120 HydrophobicContact CG2-CZ3 4.16Å; T115-W120 HydrophobicContact CG2-CB 3.99Å; T115-W120 HydrophobicContact CG2-CD2 4.36Å; T115-W120 HydrophobicContact CG2-CE3 4.06Å; T115-W120 HydrophobicContact CG2-CG 4.38Å; T115-W120 PolarHBondContact OG1-N 3.04Å; T116-W120 PolarHBondContact O-N 2.82Å; W120-M123 PolarHBondContact O-N 3.46Å; W120-T124 HydrophobicContact CD2-CG2 4.36Å; W120-T124 HydrophobicContact CZ2-CG2 4.34Å; W120-T124 WeakPolarHBondContact O-CB 3.36Å; W120-T124 WeakPolarHBondContact O-CG2 3.38Å; W120-T124 PolarHBondContact O-N 3.13Å; W120-T124 PolarHBondContact O-OG1 2.87Å; W120-L132 HydrophobicContact CH2-CD2 4.5Å; W120-L133 HydrophobicContact CH2-CD2 4.4Å; W120-L133 HydrophobicContact CZ2-CD2 3.6Å; W120-V136 HydrophobicContact CH2-CG2 4.33Å; W120-V136 HydrophobicContact CZ2-CG2 4.34Å; W120-F139 HydrophobicContact CZ2-CE2 4.48Å; W120-F139 AromaticContact NE1-CE2 3.82Å; W120-M163 HydrophobicContact CZ2-SD 4.33Å
121D89.1Confident81.1Confident7 Ų737.5 Ų37.54%0.03718%0.182CC..Hα-helixtrans-62.1-48.8174.8-172.228.5000111.5P117 M123 T124 R125 T155 V159 R162 H429P117-D121 WeakPolarHBondContact O-CB 3.35Å; P117-D121 PolarHBondContact O-N 2.89Å; D121-M123 PolarHBondContact O-N 2.77Å; D121-T124 PolarHBondContact O-N 2.86Å; D121-T124 PolarHBondContact O-OG1 3.02Å; D121-R125 WeakPolarHBondContact O-CB 3.46Å; D121-R125 WeakPolarHBondContact O-CG 3.44Å; D121-R125 PolarHBondContact O-N 2.84Å; D121-R125 IonicContact OD1-CZ 2.67Å; D121-R125 IonicContact OD1-NE 2.7Å; D121-R125 PolarHBondContact OD1-NE 3Å; D121-R125 IonicContact OD1-NH2 3.75Å; D121-R125 IonicContact OD2-CZ 2.65Å; D121-R125 IonicContact OD2-NE 2.68Å; D121-R125 PolarHBondContact OD2-NE 2.87Å; D121-R125 IonicContact OD2-NH2 3.97Å; D121-R125 PolarHBondContact OD2-NH2 2.84Å; D121-T155 HydrophobicContact CB-CG2 3.8Å; D121-V159 HydrophobicContact CB-CG2 3.74Å; D121-R162 IonicContact OD1-CZ 3.65Å; D121-R162 VanDerWaalsContact OD1-CZ 3.29Å; D121-R162 IonicContact OD1-NH1 2.71Å; D121-R162 PolarHBondContact OD1-NH1 2.79Å; D121-R162 IonicContact OD1-NH2 2.63Å; D121-R162 PolarHBondContact OD1-NH2 2.88Å; D121-H429 IonicContact OD2-CE1 2.71Å
122S85.5Confident80.2Confident26 Ų2636.1 Ų36.118%0.18218%0.176CC..Hα-helixtrans-67.7-21.3177.9-163.10000114.1E118 K126 C518E118-S122 WeakPolarHBondContact O-CB 3.35Å; E118-S122 PolarHBondContact O-N 3.28Å; S122-K126 WeakPolarHBondContact O-CD 3.26Å; S122-K126 WeakPolarHBondContact O-CE 3.23Å; S122-K126 WeakPolarHBondContact O-CG 3.47Å; S122-K126 PolarHBondContact O-NZ 2.91Å; S122-K126 PolarHBondContact OG-NZ 3.32Å; S122-C518 PolarHBondContact OG-SG 2.64Å
123M81.8Confident79.4Confident10 Ų1036.4 Ų36.45%0.04918%0.178CC..Hα-helixtrans-77.5-54.8172.8-175.2-75.9-175.200110L95 L104 I107 K119 W120 D121 R125 K126 W127 L132L95-M123 HydrophobicContact CD2-CG 4.35Å; L104-M123 HydrophobicContact CD2-CE 4.18Å; L104-M123 HydrophobicContact CD2-CG 3.87Å; I107-M123 HydrophobicContact CD1-CE 4.13Å; K119-M123 WeakPolarHBondContact O-CB 3.28Å; K119-M123 PolarHBondContact O-N 2.88Å; W120-M123 PolarHBondContact O-N 3.46Å; D121-M123 PolarHBondContact O-N 2.77Å; M123-R125 VanDerWaalsContact C-N 3.34Å; M123-R125 PolarHBondContact O-N 2.92Å; M123-K126 PolarHBondContact O-N 3.14Å; M123-W127 HydrophobicContact CE-CD2 4.03Å; M123-W127 HydrophobicContact CE-CE3 3.27Å; M123-W127 HydrophobicContact CE-CH2 4.5Å; M123-W127 HydrophobicContact CE-CZ3 3.55Å; M123-W127 PolarHBondContact O-N 2.64Å; M123-W127 HydrophobicContact SD-CE3 4.27Å; M123-L132 HydrophobicContact CE-CD2 3.29Å; M123-L132 HydrophobicContact SD-CD2 4.41Å
124T82.9Confident78.5Confident3 Ų341.1 Ų41.12%0.01820%0.2CC..Hα-helixtrans-63.3-35.2-178.251.70000112.8W120 D121 K126 L133 R162W120-T124 HydrophobicContact CD2-CG2 4.36Å; W120-T124 HydrophobicContact CZ2-CG2 4.34Å; W120-T124 WeakPolarHBondContact O-CB 3.36Å; W120-T124 WeakPolarHBondContact O-CG2 3.38Å; W120-T124 PolarHBondContact O-N 3.13Å; W120-T124 PolarHBondContact O-OG1 2.87Å; D121-T124 PolarHBondContact O-N 2.86Å; D121-T124 PolarHBondContact O-OG1 3.02Å; T124-K126 PolarHBondContact O-N 3.35Å; T124-L133 HydrophobicContact CG2-CD1 4.03Å; T124-L133 HydrophobicContact CG2-CD2 3.72Å; T124-L133 HydrophobicContact CG2-CG 4.24Å; T124-R162 PolarHBondContact OG1-NH1 2.77Å
125R78.8Confident77.9Confident24 Ų2443.4 Ų43.49%0.09121%0.212CC..THydrogen-bonded Turntrans-61.9-16.7171.4-73.2178.5-166.1-139.28.3115.4D121 M123 E428 H429 A432 L436 A515D121-R125 WeakPolarHBondContact O-CB 3.46Å; D121-R125 WeakPolarHBondContact O-CG 3.44Å; D121-R125 PolarHBondContact O-N 2.84Å; D121-R125 IonicContact OD1-CZ 2.67Å; D121-R125 IonicContact OD1-NE 2.7Å; D121-R125 PolarHBondContact OD1-NE 3Å; D121-R125 IonicContact OD1-NH2 3.75Å; D121-R125 IonicContact OD2-CZ 2.65Å; D121-R125 IonicContact OD2-NE 2.68Å; D121-R125 PolarHBondContact OD2-NE 2.87Å; D121-R125 IonicContact OD2-NH2 3.97Å; D121-R125 PolarHBondContact OD2-NH2 2.84Å; M123-R125 VanDerWaalsContact C-N 3.34Å; M123-R125 PolarHBondContact O-N 2.92Å; R125-E428 PolarHBondContact NH1-O 2.74Å; R125-H429 PolarHBondContact NH2-CE1 2.76Å; R125-H429 PolarHBondContact NH2-ND1 2.87Å; R125-A432 HydrophobicContact CG-CB 4.38Å; R125-A432 VanDerWaalsContact CZ-CB 3.4Å; R125-A432 VanDerWaalsContact NH1-CB 3.29Å; R125-L436 HydrophobicContact CG-CD1 4.37Å; R125-A515 WeakPolarHBondContact CD-O 3.44Å
126K69Low77.7Confident92 Ų9243.4 Ų43.440%0.421%0.212SC..THydrogen-bonded Turntrans-104.8-24.2-176.4-70.9173.1-172.1138.90113.5S122 M123 T124 K128 R516S122-K126 WeakPolarHBondContact O-CD 3.26Å; S122-K126 WeakPolarHBondContact O-CE 3.23Å; S122-K126 WeakPolarHBondContact O-CG 3.47Å; S122-K126 PolarHBondContact O-NZ 2.91Å; S122-K126 PolarHBondContact OG-NZ 3.32Å; M123-K126 PolarHBondContact O-N 3.14Å; T124-K126 PolarHBondContact O-N 3.35Å; K126-K128 PolarHBondContact O-N 3.46Å; K126-R516 WeakPolarHBondContact CE-O 3.25Å; K126-R516 HydrophobicContact CG-CG 4.39Å
127W63.8Low77.6Confident68 Ų6845.9 Ų45.926%0.25822%0.22SC..  trans-83.9110.2-172.3-160.4-71.6000109.5L104 M123 D129L104-W127 HydrophobicContact CB-CZ3 4.3Å; L104-W127 HydrophobicContact CD2-CZ3 4.34Å; M123-W127 HydrophobicContact CE-CD2 4.03Å; M123-W127 HydrophobicContact CE-CE3 3.27Å; M123-W127 HydrophobicContact CE-CH2 4.5Å; M123-W127 HydrophobicContact CE-CZ3 3.55Å; M123-W127 PolarHBondContact O-N 2.64Å; M123-W127 HydrophobicContact SD-CE3 4.27Å; W127-D129 PolarHBondContact NE1-O 2.87Å
128K51.7Low77.6Confident181 Ų18145.8 Ų45.879%0.78722%0.219SC*.SBendtrans-71.7-41.1-175.5-69.5-172.2173.7-169.90112.9K126 N130K126-K128 PolarHBondContact O-N 3.46Å; K128-N130 PolarHBondContact O-N 2.82Å
129D54.6Low77.9Confident123 Ų12342.9 Ų42.966%0.65821%0.206SC*.SBendtrans-100.789.3-169.2-47.3-56.5000108.1W127 S131W127-D129 PolarHBondContact NE1-O 2.87Å; D129-S131 PolarHBondContact O-N 2.94Å; D129-S131 PolarHBondContact O-OG 2.96Å; D129-S131 VanDerWaalsContact O-OG 3.13Å
130N59.3Low78.3Confident55 Ų5541.2 Ų41.229%0.29420%0.199SC..THydrogen-bonded Turntrans-58.714.3-165.6-80.6-42.4000117.7K128 L132 L133 Q134K128-N130 PolarHBondContact O-N 2.82Å; N130-L132 VanDerWaalsContact C-N 3.32Å; N130-L132 PolarHBondContact O-N 3.41Å; N130-L133 WeakPolarHBondContact O-CB 3.29Å; N130-L133 PolarHBondContact O-N 2.83Å; N130-Q134 PolarHBondContact O-N 3.12Å; N130-Q134 VanDerWaalsContact O-N 3.13Å
131S66.3Low78.7Confident54 Ų5441.2 Ų41.238%0.37820%0.199SC..Hα-helixtrans-46.8-45.117758.40000114D129 L133 Q134 L135D129-S131 PolarHBondContact O-N 2.94Å; D129-S131 PolarHBondContact O-OG 2.96Å; D129-S131 VanDerWaalsContact O-OG 3.13Å; S131-L133 VanDerWaalsContact C-N 3.31Å; S131-L133 PolarHBondContact O-N 2.88Å; S131-Q134 CarbonylContact O-C 3.58Å; S131-Q134 WeakPolarHBondContact O-CA 3.49Å; S131-Q134 WeakPolarHBondContact O-CB 3.42Å; S131-Q134 PolarHBondContact O-N 2.92Å; S131-L135 WeakPolarHBondContact O-CG 3.46Å; S131-L135 PolarHBondContact O-N 2.94Å
132L73.8Confident78.9Confident6 Ų641.5 Ų41.53%0.03120%0.2CC..Hα-helixtrans-62.2-39179.6-168.975.9000112K63 I107 W120 M123 N130 Q134 L135 V136K63-L132 HydrophobicContact CD-CD1 3.53Å; K63-L132 HydrophobicContact CD-CG 4.49Å; I107-L132 HydrophobicContact CG2-CD1 4.26Å; I107-L132 HydrophobicContact CG2-CD2 3.65Å; W120-L132 HydrophobicContact CH2-CD2 4.5Å; M123-L132 HydrophobicContact CE-CD2 3.29Å; M123-L132 HydrophobicContact SD-CD2 4.41Å; N130-L132 VanDerWaalsContact C-N 3.32Å; N130-L132 PolarHBondContact O-N 3.41Å; L132-Q134 VanDerWaalsContact C-N 3.26Å; L132-Q134 PolarHBondContact O-N 3.28Å; L132-L135 PolarHBondContact O-N 3.25Å; L132-L135 VanDerWaalsContact O-N 3.14Å; L132-V136 PolarHBondContact O-N 3.19Å
133L76.8Confident79Confident9 Ų940.6 Ų40.65%0.04719%0.193CC..Hα-helixtrans-69.1-26.3175.2-65.2-176.7000112.5W120 T124 N130 S131 L135 M163 V166 R170W120-L133 HydrophobicContact CH2-CD2 4.4Å; W120-L133 HydrophobicContact CZ2-CD2 3.6Å; T124-L133 HydrophobicContact CG2-CD1 4.03Å; T124-L133 HydrophobicContact CG2-CD2 3.72Å; T124-L133 HydrophobicContact CG2-CG 4.24Å; N130-L133 WeakPolarHBondContact O-CB 3.29Å; N130-L133 PolarHBondContact O-N 2.83Å; S131-L133 VanDerWaalsContact C-N 3.31Å; S131-L133 PolarHBondContact O-N 2.88Å; L133-L135 VanDerWaalsContact C-N 3.34Å; L133-M163 HydrophobicContact CD2-CE 4.12Å; L133-M163 HydrophobicContact CD2-SD 3.72Å; L133-V166 HydrophobicContact CB-CG1 4.25Å; L133-R170 PolarHBondContact O-NH1 2.95Å
134Q75.6Confident79.5Confident99 Ų9940.1 Ų40.146%0.46319%0.191SC..Hα-helixtrans-77.3-17.8172-62.4170.7-4.200113N130 S131 L132 R170N130-Q134 PolarHBondContact O-N 3.12Å; N130-Q134 VanDerWaalsContact O-N 3.13Å; S131-Q134 CarbonylContact O-C 3.58Å; S131-Q134 WeakPolarHBondContact O-CA 3.49Å; S131-Q134 WeakPolarHBondContact O-CB 3.42Å; S131-Q134 PolarHBondContact O-N 2.92Å; L132-Q134 VanDerWaalsContact C-N 3.26Å; L132-Q134 PolarHBondContact O-N 3.28Å; Q134-R170 HydrophobicContact CG-CG 4.39Å; Q134-R170 PolarHBondContact O-NH1 3.42Å; Q134-R170 VanDerWaalsContact O-NH1 3.1Å; Q134-R170 PolarHBondContact O-NH2 3.43Å; Q134-R170 VanDerWaalsContact O-NH2 3.08Å
135L81.1Confident79.7Confident47 Ų4740.5 Ų40.525%0.24619%0.192CC..Hα-helixtrans-89.2-16.1174-67.9173.9000113.7K63 S131 L132 L133 R137K63-L135 HydrophobicContact CD-CB 3.82Å; K63-L135 HydrophobicContact CD-CD1 4.36Å; K63-L135 HydrophobicContact CG-CB 4.25Å; S131-L135 WeakPolarHBondContact O-CG 3.46Å; S131-L135 PolarHBondContact O-N 2.94Å; L132-L135 PolarHBondContact O-N 3.25Å; L132-L135 VanDerWaalsContact O-N 3.14Å; L133-L135 VanDerWaalsContact C-N 3.34Å; L135-R137 PolarHBondContact O-N 3.04Å
136V89.1Confident80.2Confident0 Ų040.1 Ų40.10%019%0.193CC..EExtended strand (participates in β ladder)trans-66.3125.4174.5-177.70000109.8V65 W120 L132 F139 M163 R170 M181V65-V136 HydrophobicContact CG2-CG1 4.03Å; V65-V136 HydrophobicContact CG2-CG2 3.79Å; W120-V136 HydrophobicContact CH2-CG2 4.33Å; W120-V136 HydrophobicContact CZ2-CG2 4.34Å; L132-V136 PolarHBondContact O-N 3.19Å; V136-F139 HydrophobicContact CG1-CD2 4.44Å; V136-M163 HydrophobicContact CB-CE 4.05Å; V136-M163 HydrophobicContact CG1-CE 3.99Å; V136-M163 HydrophobicContact CG2-CE 4.24Å; V136-R170 PolarHBondContact O-NH1 3.2Å; V136-M181 HydrophobicContact CG1-CG 4.25Å; V136-M181 HydrophobicContact CG1-SD 4.17Å
137R90.1Very high81.2Confident59 Ų5935.8 Ų35.822%0.22317%0.174CC..EExtended strand (participates in β ladder)trans-113.6-23.7175.2-61.2-174.3-171.9-145.7-2112.9L51 D61 K63 L135 V179 M181 R182L51-R137 HydrophobicContact CD1-CB 3.54Å; L51-R137 HydrophobicContact CD1-CG 4.38Å; D61-R137 PolarHBondContact O-NE 2.7Å; D61-R137 PolarHBondContact O-NH2 2.86Å; K63-R137 PolarHBondContact O-N 2.79Å; L135-R137 PolarHBondContact O-N 3.04Å; R137-V179 HydrophobicContact CG-CG1 4Å; R137-M181 WeakPolarHBondContact O-CA 3.32Å; R137-R182 PolarHBondContact O-N 3.03Å
138L94Very high82.4Confident2 Ų235.1 Ų35.11%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-137.7131.2-178.8179.765.1000110.5A47 I48 L51 A64 V65 L140 R182 V184A47-L138 HydrophobicContact CB-CD1 4.28Å; A47-L138 HydrophobicContact CB-CD2 4.18Å; A47-L138 WeakPolarHBondContact O-CD2 3.2Å; I48-L138 HydrophobicContact CG1-CD2 3.98Å; L51-L138 HydrophobicContact CB-CD2 4.23Å; L51-L138 HydrophobicContact CD2-CB 3.72Å; L51-L138 HydrophobicContact CD2-CD2 4.07Å; A64-L138 WeakPolarHBondContact CA-O 3.45Å; A64-L138 HydrophobicContact CB-CB 4.19Å; A64-L138 HydrophobicContact CB-CD2 4.21Å; V65-L138 PolarHBondContact N-O 3.41Å; L138-L140 HydrophobicContact CD1-CD2 4.07Å; L138-L140 HydrophobicContact CD2-CD1 4.26Å; L138-L140 HydrophobicContact CD2-CD2 3.97Å; L138-L140 HydrophobicContact CD2-CG 4.26Å; L138-L140 HydrophobicContact CG-CD1 4.46Å; L138-L140 HydrophobicContact CG-CD2 3.91Å; L138-L140 HydrophobicContact CG-CG 4.02Å; L138-R182 WeakPolarHBondContact CA-O 3.3Å; L138-R182 HydrophobicContact CD1-CB 4.01Å; L138-R182 HydrophobicContact CD1-CG 4.23Å; L138-V184 HydrophobicContact CD1-CG2 4.21Å
139F95.6Very high84Confident0 Ų028.5 Ų28.50%015%0.146CC..EExtended strand (participates in β ladder)trans-128.3112.4-178.7-162.6-93.3000109.9V65 M67 W120 V136 I141 V159 V160 M163 M181 R182 L183 V184V65-F139 HydrophobicContact CB-CD2 3.73Å; V65-F139 HydrophobicContact CB-CE2 3.96Å; V65-F139 HydrophobicContact CG1-CD2 4.06Å; V65-F139 HydrophobicContact CG1-CE2 3.75Å; V65-F139 HydrophobicContact CG2-CD2 4.3Å; M67-F139 HydrophobicContact CE-CE1 3.47Å; M67-F139 VanDerWaalsContact CE-CE1 3.47Å; M67-F139 HydrophobicContact CE-CZ 3.67Å; M67-F139 HydrophobicContact SD-CZ 4.16Å; W120-F139 HydrophobicContact CZ2-CE2 4.48Å; W120-F139 AromaticContact NE1-CE2 3.82Å; V136-F139 HydrophobicContact CG1-CD2 4.44Å; F139-I141 HydrophobicContact CD1-CD1 4.16Å; F139-I141 HydrophobicContact CD1-CG1 3.85Å; F139-I141 HydrophobicContact CE1-CD1 4.3Å; F139-I141 HydrophobicContact CE1-CG1 3.9Å; F139-V159 HydrophobicContact CE1-CG1 4.32Å; F139-V159 HydrophobicContact CZ-CG1 3.67Å; F139-V160 HydrophobicContact CE1-CG2 4.14Å; F139-M163 HydrophobicContact CD2-CE 4.15Å; F139-M163 HydrophobicContact CD2-CG 4.03Å; F139-M163 HydrophobicContact CD2-SD 4.48Å; F139-M163 HydrophobicContact CE1-CG 4.37Å; F139-M163 HydrophobicContact CE2-CE 4.47Å; F139-M163 HydrophobicContact CE2-CG 3.78Å; F139-M163 HydrophobicContact CE2-SD 4.24Å; F139-M163 HydrophobicContact CG-CG 4.47Å; F139-M163 HydrophobicContact CZ-CG 3.96Å; F139-M181 HydrophobicContact CB-SD 4.03Å; F139-R182 PolarHBondContact N-O 3.45Å; F139-L183 HydrophobicContact CB-CD2 3.93Å; F139-L183 HydrophobicContact CD1-CD2 3.68Å; F139-L183 HydrophobicContact CG-CD2 4.2Å; F139-L183 WeakPolarHBondContact O-CA 3.43Å; F139-V184 PolarHBondContact O-N 3.15Å
140L97.1Very high85.4Confident0 Ų025.9 Ų25.90%014%0.142CC..EExtended strand (participates in β ladder)trans-107.2123-168.9-53.9156.5000108.5F44 A47 I48 V65 Y66 M67 W81 L138 V184F44-L140 HydrophobicContact CB-CD1 4.42Å; F44-L140 HydrophobicContact CB-CD2 4.09Å; F44-L140 HydrophobicContact CD1-CB 3.79Å; F44-L140 HydrophobicContact CD1-CD2 3.6Å; F44-L140 HydrophobicContact CD1-CG 4.24Å; F44-L140 HydrophobicContact CE1-CB 4.07Å; F44-L140 HydrophobicContact CE1-CD2 4.48Å; F44-L140 HydrophobicContact CG-CB 4.43Å; F44-L140 HydrophobicContact CG-CD2 4.26Å; A47-L140 HydrophobicContact CB-CD2 3.9Å; I48-L140 HydrophobicContact CD1-CD1 3.94Å; I48-L140 HydrophobicContact CG1-CD1 3.91Å; V65-L140 WeakPolarHBondContact O-CB 3.46Å; V65-L140 PolarHBondContact O-N 2.98Å; Y66-L140 HydrophobicContact CD2-CB 4.08Å; M67-L140 PolarHBondContact N-O 3.12Å; W81-L140 HydrophobicContact CH2-CD1 4.24Å; W81-L140 HydrophobicContact CZ3-CD1 4.44Å; L138-L140 HydrophobicContact CD1-CD2 4.07Å; L138-L140 HydrophobicContact CD2-CD1 4.26Å; L138-L140 HydrophobicContact CD2-CD2 3.97Å; L138-L140 HydrophobicContact CD2-CG 4.26Å; L138-L140 HydrophobicContact CG-CD1 4.46Å; L138-L140 HydrophobicContact CG-CD2 3.91Å; L138-L140 HydrophobicContact CG-CG 4.02Å; L140-V184 CarbonylContact C-O 3.55Å; L140-V184 WeakPolarHBondContact CA-O 3.49Å; L140-V184 HydrophobicContact CD2-CB 4.09Å
141I96.3Very high86.3Confident1 Ų128.3 Ų28.31%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-118.5113-174.3-53.3161.2000108.8F44 M67 F139 V144 L156 V160 L183 V184 A185 V186 L200F44-I141 WeakPolarHBondContact CZ-O 3.48Å; M67-I141 HydrophobicContact CE-CG1 4.07Å; M67-I141 HydrophobicContact CE-CG2 4.28Å; F139-I141 HydrophobicContact CD1-CD1 4.16Å; F139-I141 HydrophobicContact CD1-CG1 3.85Å; F139-I141 HydrophobicContact CE1-CD1 4.3Å; F139-I141 HydrophobicContact CE1-CG1 3.9Å; I141-V144 HydrophobicContact CG2-CB 3.88Å; I141-V144 HydrophobicContact CG2-CG2 4.01Å; I141-L156 HydrophobicContact CG2-CD1 3.93Å; I141-V160 HydrophobicContact CD1-CG1 4.27Å; I141-V160 HydrophobicContact CD1-CG2 3.55Å; I141-V160 HydrophobicContact CG1-CG2 4.28Å; I141-L183 HydrophobicContact CD1-CD2 4.07Å; I141-V184 PolarHBondContact N-O 2.87Å; I141-A185 HydrophobicContact CB-CB 4.11Å; I141-A185 HydrophobicContact CD1-CB 4.26Å; I141-A185 CarbonylContact O-C 3.52Å; I141-A185 WeakPolarHBondContact O-CA 3.33Å; I141-V186 PolarHBondContact O-N 3.48Å; I141-L200 HydrophobicContact CD1-CD2 4.47Å
142D93.3Very high87.3Confident12 Ų1228.9 Ų28.96%0.06415%0.152CC..SBendtrans-94.9147.3175-153.2-6.6000112F44 Y66 M67 V144 V186F44-D142 HydrophobicContact CE2-CB 3.87Å; F44-D142 HydrophobicContact CZ-CB 3.84Å; Y66-D142 HydrophobicContact CE2-CB 3.84Å; Y66-D142 PolarHBondContact OH-OD2 3.35Å; M67-D142 PolarHBondContact O-N 3.4Å; D142-V144 VanDerWaalsContact C-N 3.34Å; D142-V144 PolarHBondContact O-N 3.3Å; D142-V186 CarbonylContact C-O 3.58Å
143E89.1Confident88.1Confident8 Ų828.6 Ų28.64%0.03715%0.151CC..SBendtrans43.651.9-173.6-54.8-64.6-164.100114.1K40 P69 H145 V146 V186 S187 A188 Q380K40-E143 IonicContact NZ-OE1 3.15Å; K40-E143 PolarHBondContact NZ-OE1 3.14Å; K40-E143 IonicContact NZ-OE2 2.79Å; K40-E143 PolarHBondContact NZ-OE2 3.45Å; P69-E143 HydrophobicContact CG-CB 4Å; P69-E143 HydrophobicContact CG-CG 4.29Å; E143-H145 PolarHBondContact O-N 3.47Å; E143-H145 IonicContact OE2-CE1 3.77Å; E143-H145 PolarHBondContact OE2-CE1 2.94Å; E143-H145 IonicContact OE2-ND1 2.63Å; E143-V146 HydrophobicContact CB-CG2 4.26Å; E143-V146 WeakPolarHBondContact O-CB 3.46Å; E143-V146 VanDerWaalsContact O-CG2 3.32Å; E143-V146 WeakPolarHBondContact O-CG2 3.42Å; E143-V146 PolarHBondContact O-N 2.94Å; E143-V186 WeakPolarHBondContact CA-O 3.13Å; E143-V186 PolarHBondContact N-O 2.92Å; E143-S187 WeakPolarHBondContact OE2-CA 3.32Å; E143-A188 PolarHBondContact OE2-N 3.48Å; E143-Q380 PolarHBondContact OE1-NE2 2.9Å
144V91.5Very high88.9Confident0 Ų028.2 Ų28.20%015%0.149CC..G310 helixtrans-55.4-18.6-176.166.20000114.7I141 D142 V146 V147 A185 V186 I190 I196 W199I141-V144 HydrophobicContact CG2-CB 3.88Å; I141-V144 HydrophobicContact CG2-CG2 4.01Å; D142-V144 VanDerWaalsContact C-N 3.34Å; D142-V144 PolarHBondContact O-N 3.3Å; V144-V146 PolarHBondContact O-N 3.37Å; V144-V147 WeakPolarHBondContact O-CG1 3.33Å; V144-V147 PolarHBondContact O-N 3.04Å; V144-V147 VanDerWaalsContact O-N 3.12Å; V144-A185 HydrophobicContact CB-CB 4.23Å; V144-A185 HydrophobicContact CG1-CB 4.07Å; V144-A185 HydrophobicContact CG2-CB 4.37Å; V144-V186 PolarHBondContact N-O 3.4Å; V144-V186 VanDerWaalsContact N-O 3.16Å; V144-I190 HydrophobicContact CG1-CD1 4Å; V144-I196 HydrophobicContact CG1-CG2 4.21Å; V144-I196 HydrophobicContact CG2-CG2 4.26Å; V144-W199 HydrophobicContact CG2-CZ3 4.2Å
145H87.4Confident89.7Confident10 Ų1024.5 Ų24.55%0.04613%0.133CC..G310 helixtrans-56-19.6169.669.4-97.7000114.2E143 V147 K148 S187 I190E143-H145 PolarHBondContact O-N 3.47Å; E143-H145 IonicContact OE2-CE1 3.77Å; E143-H145 PolarHBondContact OE2-CE1 2.94Å; E143-H145 IonicContact OE2-ND1 2.63Å; H145-V147 PolarHBondContact O-N 3.48Å; H145-K148 WeakPolarHBondContact O-CG 3.29Å; H145-K148 PolarHBondContact O-N 2.92Å; H145-S187 PolarHBondContact ND1-OG 3.1Å; H145-I190 HydrophobicContact CB-CD1 3.92Å; H145-I190 HydrophobicContact CB-CG1 3.86Å
146V88.3Confident90.3Very high17 Ų1722.5 Ų22.510%0.10312%0.123CC..G310 helixtrans-62.4-9.1175.1172.70000112.7P69 E143 V144 K148 D149 G153 L156P69-V146 HydrophobicContact CB-CB 4.38Å; P69-V146 HydrophobicContact CB-CG1 4.14Å; P69-V146 HydrophobicContact CB-CG2 3.92Å; P69-V146 HydrophobicContact CG-CG2 4.41Å; E143-V146 HydrophobicContact CB-CG2 4.26Å; E143-V146 WeakPolarHBondContact O-CB 3.46Å; E143-V146 VanDerWaalsContact O-CG2 3.32Å; E143-V146 WeakPolarHBondContact O-CG2 3.42Å; E143-V146 PolarHBondContact O-N 2.94Å; V144-V146 PolarHBondContact O-N 3.37Å; V146-K148 PolarHBondContact O-N 2.95Å; V146-K148 VanDerWaalsContact O-N 3.12Å; V146-D149 HydrophobicContact CG1-CB 4.13Å; V146-D149 VanDerWaalsContact O-CB 3.24Å; V146-D149 WeakPolarHBondContact O-CB 3.32Å; V146-D149 PolarHBondContact O-N 3.24Å; V146-G153 WeakPolarHBondContact O-CA 3.35Å; V146-L156 HydrophobicContact CB-CD2 4.31Å
147V91.1Very high90.6Very high0 Ų022.5 Ų22.50%012%0.123CC..G310 helixtrans-55.9-25.1169.573.10000113.5V144 H145 G153 L156 E157 I196 T418 S421 F453V144-V147 WeakPolarHBondContact O-CG1 3.33Å; V144-V147 PolarHBondContact O-N 3.04Å; V144-V147 VanDerWaalsContact O-N 3.12Å; H145-V147 PolarHBondContact O-N 3.48Å; V147-G153 VanDerWaalsContact O-CA 3.3Å; V147-G153 WeakPolarHBondContact O-CA 3.16Å; V147-L156 HydrophobicContact CB-CD2 4.28Å; V147-E157 HydrophobicContact CG2-CB 3.94Å; V147-E157 HydrophobicContact CG2-CG 4.1Å; V147-I196 HydrophobicContact CG1-CD1 4.39Å; V147-T418 HydrophobicContact CG1-CG2 3.43Å; V147-T418 VanDerWaalsContact CG1-CG2 3.43Å; V147-S421 PolarHBondContact O-OG 3.46Å; V147-F453 HydrophobicContact CG1-CD1 3.86Å; V147-F453 HydrophobicContact CG1-CE1 3.72Å; V147-F453 HydrophobicContact CG2-CB 4.46Å; V147-F453 HydrophobicContact CG2-CD1 3.82Å; V147-F453 HydrophobicContact CG2-CG 4.46Å
148K88.4Confident90.8Very high54 Ų5419.7 Ų19.724%0.23511%0.112CC..G310 helixtrans-83.1-7.217482.4-169.7-172.8165.70115H145 V146 A150 E375 T418 E419H145-K148 WeakPolarHBondContact O-CG 3.29Å; H145-K148 PolarHBondContact O-N 2.92Å; V146-K148 PolarHBondContact O-N 2.95Å; V146-K148 VanDerWaalsContact O-N 3.12Å; K148-A150 PolarHBondContact O-N 3.38Å; K148-E375 WeakPolarHBondContact CE-OE2 3.47Å; K148-E375 IonicContact NZ-OE2 3.11Å; K148-E375 PolarHBondContact NZ-OE2 3.02Å; K148-T418 HydrophobicContact CB-CG2 4.18Å; K148-T418 HydrophobicContact CD-CG2 4.31Å; K148-E419 VanDerWaalsContact CA-O 3.27Å; K148-E419 WeakPolarHBondContact CA-O 3.47Å; K148-E419 VanDerWaalsContact CB-O 3.31Å; K148-E419 WeakPolarHBondContact CB-O 3.34Å
149D85.9Confident90.7Very high43 Ų4319.7 Ų19.723%0.2311%0.112CC..  trans-64.8119.2177.3-178.1-74.9000110V146 T151 R152 G153 S421V146-D149 HydrophobicContact CG1-CB 4.13Å; V146-D149 VanDerWaalsContact O-CB 3.24Å; V146-D149 WeakPolarHBondContact O-CB 3.32Å; V146-D149 PolarHBondContact O-N 3.24Å; D149-T151 PolarHBondContact O-N 2.83Å; D149-T151 WeakPolarHBondContact OD1-CA 3.32Å; D149-T151 PolarHBondContact OD1-N 3.35Å; D149-T151 PolarHBondContact OD1-OG1 3.49Å; D149-R152 HydrophobicContact CB-CB 4.45Å; D149-R152 PolarHBondContact O-N 2.84Å; D149-R152 PolarHBondContact OD1-N 3.04Å; D149-G153 WeakPolarHBondContact O-CA 3.29Å; D149-G153 PolarHBondContact O-N 3.43Å; D149-S421 WeakPolarHBondContact O-CB 3.2Å; D149-S421 PolarHBondContact O-OG 3.16Å; D149-S421 VanDerWaalsContact O-OG 3.09Å
150A82.6Confident90.6Very high68 Ų6819.7 Ų19.756%0.56211%0.112SC*.THydrogen-bonded Turntrans-58.3-22.6-174.200000114.4K148 H425K148-A150 PolarHBondContact O-N 3.38Å; A150-H425 PolarHBondContact O-CE1 2.74Å; A150-H425 PolarHBondContact O-ND1 3.11Å
151T80.1Confident90.2Very high106 Ų10619.7 Ų19.765%0.6511%0.112SC*.THydrogen-bonded Turntrans-105.2-20.2-176.255.30000114.4D149D149-T151 PolarHBondContact O-N 2.83Å; D149-T151 WeakPolarHBondContact OD1-CA 3.32Å; D149-T151 PolarHBondContact OD1-N 3.35Å; D149-T151 PolarHBondContact OD1-OG1 3.49Å
152R85.4Confident89.8Confident66 Ų6619.9 Ų19.925%0.24911%0.113CC..THydrogen-bonded Turntrans-134.4-21.6-167.8-56.717870.6-145.8-6.5114P69 E118 D149 A154 T155 L156P69-R152 PolarHBondContact O-NH1 3.28Å; P69-R152 PolarHBondContact O-NH2 3.11Å; E118-R152 VanDerWaalsContact CD-NH2 3.32Å; E118-R152 IonicContact OE1-CZ 3.92Å; E118-R152 IonicContact OE1-NE 2.69Å; E118-R152 PolarHBondContact OE1-NE 3.33Å; E118-R152 IonicContact OE1-NH2 3.18Å; E118-R152 PolarHBondContact OE1-NH2 3.11Å; E118-R152 IonicContact OE2-NH2 3.55Å; E118-R152 PolarHBondContact OE2-NH2 2.83Å; D149-R152 HydrophobicContact CB-CB 4.45Å; D149-R152 PolarHBondContact O-N 2.84Å; D149-R152 PolarHBondContact OD1-N 3.04Å; R152-A154 VanDerWaalsContact C-N 3.35Å; R152-A154 PolarHBondContact O-N 3.33Å; R152-T155 PolarHBondContact O-N 2.78Å; R152-L156 PolarHBondContact O-N 3.35Å
153G90.9Very high89.5Confident0 Ų019.4 Ų19.40%011%0.11CC..Hα-helixtrans-61.8-40.8-17900000112.9V146 V147 D149 T155 L156 E157 S421V146-G153 WeakPolarHBondContact O-CA 3.35Å; V147-G153 VanDerWaalsContact O-CA 3.3Å; V147-G153 WeakPolarHBondContact O-CA 3.16Å; D149-G153 WeakPolarHBondContact O-CA 3.29Å; D149-G153 PolarHBondContact O-N 3.43Å; G153-T155 VanDerWaalsContact C-N 3.28Å; G153-T155 PolarHBondContact O-N 2.67Å; G153-L156 WeakPolarHBondContact O-CB 3.24Å; G153-L156 PolarHBondContact O-N 2.88Å; G153-L156 VanDerWaalsContact O-N 3.16Å; G153-E157 WeakPolarHBondContact O-CB 3.34Å; G153-E157 PolarHBondContact O-N 3.48Å; G153-S421 VanDerWaalsContact C-OG 3.3Å; G153-S421 WeakPolarHBondContact CA-OG 3.3Å
154A93.4Very high89.4Confident1 Ų120.4 Ų20.41%0.00811%0.114CC..Hα-helixtrans-54.2-41.8173.600000112.7R152 E157 V158 S421 L422 H425R152-A154 VanDerWaalsContact C-N 3.35Å; R152-A154 PolarHBondContact O-N 3.33Å; A154-E157 PolarHBondContact O-N 2.91Å; A154-V158 WeakPolarHBondContact O-CB 3.38Å; A154-V158 VanDerWaalsContact O-CG2 3.28Å; A154-V158 WeakPolarHBondContact O-CG2 3.27Å; A154-V158 PolarHBondContact O-N 3.15Å; A154-S421 PolarHBondContact N-OG 2.82Å; A154-L422 HydrophobicContact CB-CB 4.44Å; A154-L422 HydrophobicContact CB-CD1 4.11Å; A154-H425 HydrophobicContact CB-CB 4.02Å
155T93.7Very high89Confident20 Ų2022 Ų2212%0.12313%0.127CC..Hα-helixtrans-70.8-39.4178.9-58.70000112.2P117 D121 R152 G153 V159 H429P117-T155 HydrophobicContact CB-CG2 4.05Å; D121-T155 HydrophobicContact CB-CG2 3.8Å; R152-T155 PolarHBondContact O-N 2.78Å; G153-T155 VanDerWaalsContact C-N 3.28Å; G153-T155 PolarHBondContact O-N 2.67Å; T155-V159 WeakPolarHBondContact O-CB 3.45Å; T155-V159 VanDerWaalsContact O-CG2 3.32Å; T155-V159 WeakPolarHBondContact O-CG2 3.49Å; T155-V159 PolarHBondContact O-N 3.5Å; T155-H429 PolarHBondContact OG1-CE1 3.16Å; T155-H429 PolarHBondContact OG1-NE2 2.74Å
156L94Very high88.7Confident6 Ų622.8 Ų22.83%0.03113%0.133CC..Hα-helixtrans-59.6-47.5170.9168.360.3000111.2M67 P117 I141 V146 V147 R152 G153 V159 V160M67-L156 HydrophobicContact CE-CD1 3.3Å; M67-L156 HydrophobicContact SD-CD1 4.21Å; P117-L156 HydrophobicContact CB-CB 4.34Å; P117-L156 HydrophobicContact CG-CB 4.2Å; P117-L156 HydrophobicContact CG-CD1 4.47Å; I141-L156 HydrophobicContact CG2-CD1 3.93Å; V146-L156 HydrophobicContact CB-CD2 4.31Å; V147-L156 HydrophobicContact CB-CD2 4.28Å; R152-L156 PolarHBondContact O-N 3.35Å; G153-L156 WeakPolarHBondContact O-CB 3.24Å; G153-L156 PolarHBondContact O-N 2.88Å; G153-L156 VanDerWaalsContact O-N 3.16Å; L156-V159 PolarHBondContact O-N 3.06Å; L156-V160 HydrophobicContact CD1-CG2 4.09Å; L156-V160 WeakPolarHBondContact O-CG2 3.43Å; L156-V160 PolarHBondContact O-N 2.59Å; L156-V160 VanDerWaalsContact O-N 3.09Å
157E95.4Very high88.3Confident0 Ų022.3 Ų22.30%013%0.13CC..Hα-helixtrans-60.7-47.1-179.3-161.6177.7145.900112.4V147 G153 A154 V160 S161 W199 S420 L422 T452 F453 L454V147-E157 HydrophobicContact CG2-CB 3.94Å; V147-E157 HydrophobicContact CG2-CG 4.1Å; G153-E157 WeakPolarHBondContact O-CB 3.34Å; G153-E157 PolarHBondContact O-N 3.48Å; A154-E157 PolarHBondContact O-N 2.91Å; E157-V160 PolarHBondContact O-N 3.46Å; E157-S161 WeakPolarHBondContact O-CB 3.44Å; E157-S161 PolarHBondContact O-N 2.92Å; E157-S161 PolarHBondContact O-OG 2.81Å; E157-W199 HydrophobicContact CB-CZ2 4.47Å; E157-W199 HydrophobicContact CG-CH2 4.39Å; E157-W199 HydrophobicContact CG-CZ2 3.89Å; E157-S420 VanDerWaalsContact CD-OG 3.3Å; E157-S420 PolarHBondContact OE1-OG 2.91Å; E157-S420 WeakPolarHBondContact OE2-CB 3.47Å; E157-S420 PolarHBondContact OE2-OG 3.31Å; E157-L422 HydrophobicContact CG-CD2 4.46Å; E157-L422 WeakPolarHBondContact OE1-CD2 3.36Å; E157-T452 WeakPolarHBondContact OE1-CB 3.37Å; E157-F453 HydrophobicContact CG-CB 3.83Å; E157-F453 WeakPolarHBondContact OE1-CA 3.37Å; E157-F453 PolarHBondContact OE1-N 2.94Å; E157-L454 WeakPolarHBondContact OE1-CB 3.46Å; E157-L454 PolarHBondContact OE1-N 2.58Å
158V93.1Very high87.8Confident0 Ų025.8 Ų25.80%015%0.154CC..Hα-helixtrans-68.7-41.6179.5169.20000112A154 V160 S161 R162 L422 H429 E433 W448A154-V158 WeakPolarHBondContact O-CB 3.38Å; A154-V158 VanDerWaalsContact O-CG2 3.28Å; A154-V158 WeakPolarHBondContact O-CG2 3.27Å; A154-V158 PolarHBondContact O-N 3.15Å; V158-V160 VanDerWaalsContact C-N 3.34Å; V158-V160 PolarHBondContact O-N 3.39Å; V158-S161 PolarHBondContact O-N 3.14Å; V158-R162 VanDerWaalsContact O-CB 3.27Å; V158-R162 WeakPolarHBondContact O-CB 3.36Å; V158-R162 PolarHBondContact O-N 3.1Å; V158-L422 HydrophobicContact CG2-CD1 3.44Å; V158-L422 VanDerWaalsContact CG2-CD1 3.44Å; V158-L422 HydrophobicContact CG2-CD2 4.13Å; V158-L422 HydrophobicContact CG2-CG 4.44Å; V158-H429 HydrophobicContact CG1-CB 4.36Å; V158-H429 HydrophobicContact CG2-CB 3.78Å; V158-E433 WeakPolarHBondContact CG1-OE1 3.49Å; V158-W448 HydrophobicContact CB-CZ2 4.38Å; V158-W448 HydrophobicContact CG1-CZ2 4.02Å; V158-W448 HydrophobicContact CG2-CH2 4.03Å; V158-W448 HydrophobicContact CG2-CZ2 3.73Å
159V92.5Very high87.3Confident1 Ų130 Ų301%0.00617%0.169CC..Hα-helixtrans-56.7-49.2174.7158.20000110.9M67 D121 F139 T155 L156 R162 M163M67-V159 HydrophobicContact CE-CG1 4.05Å; M67-V159 HydrophobicContact SD-CG1 3.84Å; D121-V159 HydrophobicContact CB-CG2 3.74Å; F139-V159 HydrophobicContact CE1-CG1 4.32Å; F139-V159 HydrophobicContact CZ-CG1 3.67Å; T155-V159 WeakPolarHBondContact O-CB 3.45Å; T155-V159 VanDerWaalsContact O-CG2 3.32Å; T155-V159 WeakPolarHBondContact O-CG2 3.49Å; T155-V159 PolarHBondContact O-N 3.5Å; L156-V159 PolarHBondContact O-N 3.06Å; V159-R162 PolarHBondContact O-N 2.78Å; V159-M163 VanDerWaalsContact O-CG 3.32Å; V159-M163 WeakPolarHBondContact O-CG 3.44Å; V159-M163 PolarHBondContact O-N 3.11Å
160V92.5Very high86.7Confident0 Ų030 Ų300%017%0.166CC..Hα-helixtrans-64.9-43.6-179.4171.70000111.2M67 F139 I141 L156 E157 V158 R162 M163 K164 L183 W199 L200M67-V160 HydrophobicContact CE-CG2 4.08Å; F139-V160 HydrophobicContact CE1-CG2 4.14Å; I141-V160 HydrophobicContact CD1-CG1 4.27Å; I141-V160 HydrophobicContact CD1-CG2 3.55Å; I141-V160 HydrophobicContact CG1-CG2 4.28Å; L156-V160 HydrophobicContact CD1-CG2 4.09Å; L156-V160 WeakPolarHBondContact O-CG2 3.43Å; L156-V160 PolarHBondContact O-N 2.59Å; L156-V160 VanDerWaalsContact O-N 3.09Å; E157-V160 PolarHBondContact O-N 3.46Å; V158-V160 VanDerWaalsContact C-N 3.34Å; V158-V160 PolarHBondContact O-N 3.39Å; V160-R162 VanDerWaalsContact C-N 3.35Å; V160-R162 PolarHBondContact O-N 2.89Å; V160-M163 PolarHBondContact O-N 2.9Å; V160-K164 PolarHBondContact O-N 2.82Å; V160-L183 HydrophobicContact CG1-CD2 4.49Å; V160-W199 HydrophobicContact CB-CH2 3.69Å; V160-W199 HydrophobicContact CB-CZ2 3.61Å; V160-W199 HydrophobicContact CG1-CH2 3.63Å; V160-W199 HydrophobicContact CG1-CZ2 3.48Å; V160-W199 VanDerWaalsContact CG1-CZ2 3.48Å; V160-W199 HydrophobicContact CG1-CZ3 4.36Å; V160-W199 HydrophobicContact CG2-CH2 4.05Å; V160-W199 HydrophobicContact CG2-CZ2 4.46Å; V160-L200 HydrophobicContact CG1-CD2 3.47Å; V160-L200 VanDerWaalsContact CG1-CD2 3.47Å
161S90Very high86.3Confident0 Ų029.5 Ų29.50%016%0.156CC..Hα-helixtrans-64.2-38.8178.8-51.90000111.8E157 V158 K164 A165E157-S161 WeakPolarHBondContact O-CB 3.44Å; E157-S161 PolarHBondContact O-N 2.92Å; E157-S161 PolarHBondContact O-OG 2.81Å; V158-S161 PolarHBondContact O-N 3.14Å; S161-K164 WeakPolarHBondContact O-CB 3.48Å; S161-K164 PolarHBondContact O-N 2.87Å; S161-A165 PolarHBondContact O-N 2.9Å
162R87.8Confident86.1Confident6 Ų628.3 Ų28.32%0.02315%0.152CC..Hα-helixtrans-63.7-44.3172.6-169.9-170.2-59.4142.46112D121 T124 V158 V159 V160 K164 A165 V166 E433D121-R162 IonicContact OD1-CZ 3.65Å; D121-R162 VanDerWaalsContact OD1-CZ 3.29Å; D121-R162 IonicContact OD1-NH1 2.71Å; D121-R162 PolarHBondContact OD1-NH1 2.79Å; D121-R162 IonicContact OD1-NH2 2.63Å; D121-R162 PolarHBondContact OD1-NH2 2.88Å; T124-R162 PolarHBondContact OG1-NH1 2.77Å; V158-R162 VanDerWaalsContact O-CB 3.27Å; V158-R162 WeakPolarHBondContact O-CB 3.36Å; V158-R162 PolarHBondContact O-N 3.1Å; V159-R162 PolarHBondContact O-N 2.78Å; V160-R162 VanDerWaalsContact C-N 3.35Å; V160-R162 PolarHBondContact O-N 2.89Å; R162-K164 VanDerWaalsContact C-N 3.31Å; R162-K164 PolarHBondContact O-N 2.97Å; R162-A165 PolarHBondContact O-N 3.49Å; R162-V166 WeakPolarHBondContact O-CG2 3.39Å; R162-V166 PolarHBondContact O-N 2.91Å; R162-E433 IonicContact CZ-OE1 3.63Å; R162-E433 VanDerWaalsContact CZ-OE1 3.27Å; R162-E433 IonicContact CZ-OE2 3.21Å; R162-E433 IonicContact NE-OE1 2.67Å; R162-E433 PolarHBondContact NE-OE1 2.91Å; R162-E433 VanDerWaalsContact NE-OE1 3.11Å; R162-E433 IonicContact NE-OE2 3.3Å; R162-E433 PolarHBondContact NE-OE2 3.09Å; R162-E433 IonicContact NH2-OE1 3.72Å; R162-E433 PolarHBondContact NH2-OE1 3.32Å; R162-E433 IonicContact NH2-OE2 2.73Å
163M87.3Confident85.4Confident2 Ų230.5 Ų30.51%0.0117%0.165CC..Hα-helixtrans-62-37.8175.4-66.9-54.5-57.300111.9W120 L133 V136 F139 V159 V160 N167 M181W120-M163 HydrophobicContact CZ2-SD 4.33Å; L133-M163 HydrophobicContact CD2-CE 4.12Å; L133-M163 HydrophobicContact CD2-SD 3.72Å; V136-M163 HydrophobicContact CB-CE 4.05Å; V136-M163 HydrophobicContact CG1-CE 3.99Å; V136-M163 HydrophobicContact CG2-CE 4.24Å; F139-M163 HydrophobicContact CD2-CE 4.15Å; F139-M163 HydrophobicContact CD2-CG 4.03Å; F139-M163 HydrophobicContact CD2-SD 4.48Å; F139-M163 HydrophobicContact CE1-CG 4.37Å; F139-M163 HydrophobicContact CE2-CE 4.47Å; F139-M163 HydrophobicContact CE2-CG 3.78Å; F139-M163 HydrophobicContact CE2-SD 4.24Å; F139-M163 HydrophobicContact CG-CG 4.47Å; F139-M163 HydrophobicContact CZ-CG 3.96Å; V159-M163 VanDerWaalsContact O-CG 3.32Å; V159-M163 WeakPolarHBondContact O-CG 3.44Å; V159-M163 PolarHBondContact O-N 3.11Å; V160-M163 PolarHBondContact O-N 2.9Å; M163-N167 WeakPolarHBondContact O-CB 3.31Å; M163-N167 PolarHBondContact O-N 2.9Å; M163-M181 HydrophobicContact CB-CE 3.89Å; M163-M181 HydrophobicContact CB-SD 4.06Å; M163-M181 HydrophobicContact CE-SD 3.52Å; M163-M181 VanDerWaalsContact CE-SD 3.52Å
164K87Confident84.2Confident28 Ų2836.3 Ų36.312%0.12220%0.196CC..Hα-helixtrans-62.4-48171.2-71.2-172.875.7-1690112.1V160 S161 R162 V166 N167 S168 L183 W199 S201V160-K164 PolarHBondContact O-N 2.82Å; S161-K164 WeakPolarHBondContact O-CB 3.48Å; S161-K164 PolarHBondContact O-N 2.87Å; R162-K164 VanDerWaalsContact C-N 3.31Å; R162-K164 PolarHBondContact O-N 2.97Å; K164-V166 PolarHBondContact O-N 3.21Å; K164-N167 WeakPolarHBondContact O-CB 3.33Å; K164-N167 PolarHBondContact O-N 3.14Å; K164-N167 VanDerWaalsContact O-N 3.14Å; K164-S168 PolarHBondContact O-N 2.84Å; K164-S168 PolarHBondContact O-OG 3.23Å; K164-L183 HydrophobicContact CD-CD1 4.31Å; K164-L183 HydrophobicContact CG-CD1 3.72Å; K164-W199 PolarHBondContact NZ-O 3.28Å; K164-S201 VanDerWaalsContact CE-O 3.29Å; K164-S201 WeakPolarHBondContact CE-O 3.43Å; K164-S201 PolarHBondContact NZ-O 2.78Å
165A82.2Confident82.7Confident33 Ų3341 Ų4127%0.27323%0.226SC..Hα-helixtrans-59.7-44.6179.600000112.2S161 R162 N167 S168 Y169 T438S161-A165 PolarHBondContact O-N 2.9Å; R162-A165 PolarHBondContact O-N 3.49Å; A165-N167 VanDerWaalsContact C-N 3.33Å; A165-N167 PolarHBondContact O-N 3.41Å; A165-S168 PolarHBondContact O-N 3.11Å; A165-Y169 PolarHBondContact O-N 3.39Å; A165-T438 HydrophobicContact CB-CG2 4.39Å
166V80.5Confident80.8Confident28 Ų2849.4 Ų49.417%0.1727%0.265CS..Hα-helixtrans-61.2-40.7174.2171.90000111.5L133 R162 K164 R170L133-V166 HydrophobicContact CB-CG1 4.25Å; R162-V166 WeakPolarHBondContact O-CG2 3.39Å; R162-V166 PolarHBondContact O-N 2.91Å; K164-V166 PolarHBondContact O-N 3.21Å; V166-R170 HydrophobicContact CG1-CG 4.49Å; V166-R170 WeakPolarHBondContact O-CB 3.29Å; V166-R170 VanDerWaalsContact O-CG 3.27Å; V166-R170 WeakPolarHBondContact O-CG 3.34Å; V166-R170 PolarHBondContact O-N 3.4Å
167N81.1Confident79.2Confident7 Ų751.5 Ų51.54%0.03729%0.288CS..Hα-helixtrans-64-45.2175.9-178.762.7000112.4M163 K164 A165 Y169 R170 T171 M181M163-N167 WeakPolarHBondContact O-CB 3.31Å; M163-N167 PolarHBondContact O-N 2.9Å; K164-N167 WeakPolarHBondContact O-CB 3.33Å; K164-N167 PolarHBondContact O-N 3.14Å; K164-N167 VanDerWaalsContact O-N 3.14Å; A165-N167 VanDerWaalsContact C-N 3.33Å; A165-N167 PolarHBondContact O-N 3.41Å; N167-Y169 PolarHBondContact O-N 2.92Å; N167-R170 PolarHBondContact O-N 2.81Å; N167-T171 WeakPolarHBondContact O-CB 3.3Å; N167-T171 PolarHBondContact O-N 2.6Å; N167-T171 PolarHBondContact O-OG1 3.44Å; N167-M181 HydrophobicContact CB-CB 4.12Å; N167-M181 HydrophobicContact CB-CE 4.22Å; N167-M181 WeakPolarHBondContact OD1-CB 3.47Å; N167-M181 PolarHBondContact OD1-N 2.99Å
168S79.9Confident77.3Confident72 Ų7254.6 Ų54.650%0.50332%0.319SS..Hα-helixtrans-60.1-45.1176.8-61.10000111.8K164 A165 T171 S172K164-S168 PolarHBondContact O-N 2.84Å; K164-S168 PolarHBondContact O-OG 3.23Å; A165-S168 PolarHBondContact O-N 3.11Å; S168-T171 PolarHBondContact O-N 3.41Å; S168-S172 PolarHBondContact O-N 2.88Å; S168-S172 PolarHBondContact O-OG 2.99Å
169Y77.1Confident75.8Confident142 Ų14257.8 Ų57.856%0.55734%0.338SS*.Hα-helixtrans-63.5-40.2176.7-179-92000112.7A165 N167 T171 S172 Q173A165-Y169 PolarHBondContact O-N 3.39Å; N167-Y169 PolarHBondContact O-N 2.92Å; Y169-T171 VanDerWaalsContact C-N 3.33Å; Y169-T171 PolarHBondContact O-N 3.31Å; Y169-S172 PolarHBondContact O-N 2.85Å; Y169-S172 PolarHBondContact O-OG 3.14Å; Y169-S172 VanDerWaalsContact O-OG 3.07Å; Y169-Q173 HydrophobicContact CD1-CG 4.24Å; Y169-Q173 HydrophobicContact CE1-CG 3.84Å; Y169-Q173 HydrophobicContact CE2-CG 4.43Å; Y169-Q173 VanDerWaalsContact O-CG 3.27Å; Y169-Q173 WeakPolarHBondContact O-CG 3.47Å; Y169-Q173 PolarHBondContact O-N 2.84Å; Y169-Q173 VanDerWaalsContact O-N 3.15Å
170R75.1Confident75.1Confident45 Ų4561 Ų6117%0.1736%0.358CS..Hα-helixtrans-63.4-40.2173.9-74.6170.461.5-166.6-10112.3L133 Q134 V136 V166 N167 Q173 N174L133-R170 PolarHBondContact O-NH1 2.95Å; Q134-R170 HydrophobicContact CG-CG 4.39Å; Q134-R170 PolarHBondContact O-NH1 3.42Å; Q134-R170 VanDerWaalsContact O-NH1 3.1Å; Q134-R170 PolarHBondContact O-NH2 3.43Å; Q134-R170 VanDerWaalsContact O-NH2 3.08Å; V136-R170 PolarHBondContact O-NH1 3.2Å; V166-R170 HydrophobicContact CG1-CG 4.49Å; V166-R170 WeakPolarHBondContact O-CB 3.29Å; V166-R170 VanDerWaalsContact O-CG 3.27Å; V166-R170 WeakPolarHBondContact O-CG 3.34Å; V166-R170 PolarHBondContact O-N 3.4Å; N167-R170 PolarHBondContact O-N 2.81Å; R170-Q173 PolarHBondContact O-N 3.33Å; R170-N174 PolarHBondContact O-N 2.9Å
171T74.2Confident74.9Confident56 Ų5661.1 Ų61.134%0.34436%0.359SS..Hα-helixtrans-68.9-34.5-178.3-51.70000111.7N167 S168 Y169 T180N167-T171 WeakPolarHBondContact O-CB 3.3Å; N167-T171 PolarHBondContact O-N 2.6Å; N167-T171 PolarHBondContact O-OG1 3.44Å; S168-T171 PolarHBondContact O-N 3.41Å; Y169-T171 VanDerWaalsContact C-N 3.33Å; Y169-T171 PolarHBondContact O-N 3.31Å; T171-T180 HydrophobicContact CG2-CG2 4.4Å
172S74.8Confident75Confident81 Ų8161.9 Ų61.957%0.56636%0.362SS*.Hα-helixtrans-76.8-29.1174.9610000113.8S168 Y169S168-S172 PolarHBondContact O-N 2.88Å; S168-S172 PolarHBondContact O-OG 2.99Å; Y169-S172 PolarHBondContact O-N 2.85Å; Y169-S172 PolarHBondContact O-OG 3.14Å; Y169-S172 VanDerWaalsContact O-OG 3.07Å
173Q70.3Confident75.3Confident112 Ų11261.6 Ų61.652%0.52336%0.361SS..Hα-helixtrans-76.2-38176.4-69.8-68.4-2700113.2Y169 R170Y169-Q173 HydrophobicContact CD1-CG 4.24Å; Y169-Q173 HydrophobicContact CE1-CG 3.84Å; Y169-Q173 HydrophobicContact CE2-CG 4.43Å; Y169-Q173 VanDerWaalsContact O-CG 3.27Å; Y169-Q173 WeakPolarHBondContact O-CG 3.47Å; Y169-Q173 PolarHBondContact O-N 2.84Å; Y169-Q173 VanDerWaalsContact O-N 3.15Å; R170-Q173 PolarHBondContact O-N 3.33Å
174N65.9Low75.7Confident122 Ų12261.5 Ų61.565%0.65236%0.36SS*.  trans-127.672.4178.6-73.7-38000112.2R170 E176 G177R170-N174 PolarHBondContact O-N 2.9Å; N174-E176 VanDerWaalsContact C-N 3.32Å; N174-E176 PolarHBondContact O-N 3.16Å; N174-G177 PolarHBondContact O-N 3.06Å; N174-G177 VanDerWaalsContact O-N 3.08Å
175P62.7Low76.1Confident99 Ų9960.2 Ų60.264%0.64335%0.354SS*.G310 helixtrans-60.7-37.9-177.8-23.734.8000113.6G177P175-G177 PolarHBondContact O-N 3.34Å
176E54.5Low76.7Confident198 Ų19858.6 Ų58.693%0.92534%0.341SS*.G310 helixtrans-71.1-15.5178.7-59.7-176.6166.700113.1N174 G178N174-E176 VanDerWaalsContact C-N 3.32Å; N174-E176 PolarHBondContact O-N 3.16Å; E176-G178 VanDerWaalsContact C-N 3.3Å; E176-G178 PolarHBondContact O-N 3.44Å
177G59.6Low77.1Confident50 Ų5057.3 Ų57.352%0.51533%0.334SS..G310 helixtrans-72.2-17.9-173.500000114.9N174 P175 V179N174-G177 PolarHBondContact O-N 3.06Å; N174-G177 VanDerWaalsContact O-N 3.08Å; P175-G177 PolarHBondContact O-N 3.34Å; G177-V179 PolarHBondContact O-N 3.25Å
178G55.1Low77Confident64 Ų6457.2 Ų57.266%0.6633%0.333SS*.  trans64.7-24.2174.900000117.6E176 T180E176-G178 VanDerWaalsContact C-N 3.3Å; E176-G178 PolarHBondContact O-N 3.44Å; G178-T180 PolarHBondContact O-N 3.13Å
179V60.9Low76.7Confident67 Ų6755.4 Ų55.441%0.40632%0.32SS..  trans-79.390.6-174.9-178.70000111R137 G177R137-V179 HydrophobicContact CG-CG1 4Å; G177-V179 PolarHBondContact O-N 3.25Å
180T77.7Confident77Confident68 Ų6849 Ų4942%0.41730%0.295SS..PPolyproline II helixtrans-86.2151.1166.157.40000111.2T171 G178T171-T180 HydrophobicContact CG2-CG2 4.4Å; G178-T180 PolarHBondContact O-N 3.13Å
181M88.4Confident77.4Confident3 Ų349.6 Ų49.62%0.01530%0.304CS..PPolyproline II helixtrans-80122.7173.1-176.7-159.265.500110.3V136 R137 F139 M163 N167 L183V136-M181 HydrophobicContact CG1-CG 4.25Å; V136-M181 HydrophobicContact CG1-SD 4.17Å; R137-M181 WeakPolarHBondContact O-CA 3.32Å; F139-M181 HydrophobicContact CB-SD 4.03Å; M163-M181 HydrophobicContact CB-CE 3.89Å; M163-M181 HydrophobicContact CB-SD 4.06Å; M163-M181 HydrophobicContact CE-SD 3.52Å; M163-M181 VanDerWaalsContact CE-SD 3.52Å; N167-M181 HydrophobicContact CB-CB 4.12Å; N167-M181 HydrophobicContact CB-CE 4.22Å; N167-M181 WeakPolarHBondContact OD1-CB 3.47Å; N167-M181 PolarHBondContact OD1-N 2.99Å; M181-L183 HydrophobicContact CE-CD1 4.04Å; M181-L183 HydrophobicContact CE-CD2 4.14Å; M181-L183 HydrophobicContact CE-CG 3.87Å
182R92.6Very high78.2Confident17 Ų1747.6 Ų47.66%0.06429%0.292CS..EExtended strand (participates in β ladder)trans-86.6133.6176.6-171.3176.5-171.7-166.65.4112.1D22 V23 T26 N27 K28 R137 L138 F139 V184D22-R182 PolarHBondContact O-NH2 3.49Å; V23-R182 PolarHBondContact O-NH1 3.44Å; T26-R182 PolarHBondContact O-NH1 3.25Å; T26-R182 PolarHBondContact O-NH2 3.19Å; N27-R182 WeakPolarHBondContact O-CD 3.29Å; N27-R182 WeakPolarHBondContact O-CG 3.32Å; N27-R182 PolarHBondContact O-NE 2.86Å; K28-R182 PolarHBondContact O-NE 3.27Å; K28-R182 PolarHBondContact O-NH2 3.38Å; R137-R182 PolarHBondContact O-N 3.03Å; L138-R182 WeakPolarHBondContact CA-O 3.3Å; L138-R182 HydrophobicContact CD1-CB 4.01Å; L138-R182 HydrophobicContact CD1-CG 4.23Å; F139-R182 PolarHBondContact N-O 3.45Å; R182-V184 HydrophobicContact CG-CG2 4.25Å
183L94.6Very high79Confident0 Ų044 Ų440%027%0.266CS..EExtended strand (participates in β ladder)trans-103.4126.4172.8-75.2154.4000110.6N29 F30 F139 I141 V160 K164 M181 L200N29-L183 CarbonylContact C-O 3.46Å; N29-L183 WeakPolarHBondContact CA-O 3.16Å; N29-L183 HydrophobicContact CB-CB 4.22Å; N29-L183 PolarHBondContact OD1-N 3.14Å; F30-L183 PolarHBondContact N-O 2.93Å; F139-L183 HydrophobicContact CB-CD2 3.93Å; F139-L183 HydrophobicContact CD1-CD2 3.68Å; F139-L183 HydrophobicContact CG-CD2 4.2Å; F139-L183 WeakPolarHBondContact O-CA 3.43Å; I141-L183 HydrophobicContact CD1-CD2 4.07Å; V160-L183 HydrophobicContact CG1-CD2 4.49Å; K164-L183 HydrophobicContact CD-CD1 4.31Å; K164-L183 HydrophobicContact CG-CD1 3.72Å; M181-L183 HydrophobicContact CE-CD1 4.04Å; M181-L183 HydrophobicContact CE-CD2 4.14Å; M181-L183 HydrophobicContact CE-CG 3.87Å; L183-L200 HydrophobicContact CD1-CD2 4.27Å
184V96.3Very high80Confident0 Ų041 Ų410%026%0.257CS..EExtended strand (participates in β ladder)trans-127.6110.4173.2176.70000109F30 F44 A47 L138 F139 L140 I141 R182 V186F30-V184 HydrophobicContact CB-CG2 4.36Å; F30-V184 HydrophobicContact CD1-CG1 4.3Å; F30-V184 CarbonylContact O-C 3.5Å; F30-V184 WeakPolarHBondContact O-CA 3.23Å; F44-V184 HydrophobicContact CD1-CG1 4.26Å; F44-V184 HydrophobicContact CE1-CG1 4.42Å; A47-V184 HydrophobicContact CB-CG2 4.07Å; L138-V184 HydrophobicContact CD1-CG2 4.21Å; F139-V184 PolarHBondContact O-N 3.15Å; L140-V184 CarbonylContact C-O 3.55Å; L140-V184 WeakPolarHBondContact CA-O 3.49Å; L140-V184 HydrophobicContact CD2-CB 4.09Å; I141-V184 PolarHBondContact N-O 2.87Å; R182-V184 HydrophobicContact CG-CG2 4.25Å; V184-V186 HydrophobicContact CG1-CG2 4.39Å
185A95.6Very high81.4Confident0 Ų035.7 Ų35.70%023%0.228CC..EExtended strand (participates in β ladder)trans-108.9137-179.300000111.1F30 V31 A32 I141 V144 L200F30-A185 PolarHBondContact O-N 3.26Å; V31-A185 CarbonylContact C-O 3.57Å; V31-A185 VanDerWaalsContact CA-O 3.29Å; V31-A185 WeakPolarHBondContact CA-O 3.31Å; V31-A185 HydrophobicContact CG1-CB 4.4Å; A32-A185 PolarHBondContact N-O 2.94Å; I141-A185 HydrophobicContact CB-CB 4.11Å; I141-A185 HydrophobicContact CD1-CB 4.26Å; I141-A185 CarbonylContact O-C 3.52Å; I141-A185 WeakPolarHBondContact O-CA 3.33Å; V144-A185 HydrophobicContact CB-CB 4.23Å; V144-A185 HydrophobicContact CG1-CB 4.07Å; V144-A185 HydrophobicContact CG2-CB 4.37Å; A185-L200 HydrophobicContact CB-CD1 3.49Å; A185-L200 VanDerWaalsContact CB-CD1 3.49Å
186V93.3Very high82.8Confident0 Ų031 Ų310%020%0.198CC..EExtended strand (participates in β ladder)trans-134.9147.8-179.3-1730000109.6A32 K40 L43 F44 I141 D142 E143 V144 V184A32-V186 HydrophobicContact CB-CG1 4.14Å; A32-V186 HydrophobicContact CB-CG2 4.23Å; A32-V186 CarbonylContact O-C 2.95Å; A32-V186 WeakPolarHBondContact O-CA 3.27Å; K40-V186 HydrophobicContact CB-CG1 3.75Å; K40-V186 HydrophobicContact CD-CG1 3.87Å; K40-V186 HydrophobicContact CG-CG1 4Å; L43-V186 HydrophobicContact CB-CG2 4.38Å; L43-V186 HydrophobicContact CD1-CG1 4.33Å; L43-V186 HydrophobicContact CD1-CG2 4.32Å; F44-V186 HydrophobicContact CD1-CG2 4.12Å; F44-V186 HydrophobicContact CE1-CB 3.97Å; F44-V186 HydrophobicContact CE1-CG2 3.42Å; F44-V186 VanDerWaalsContact CE1-CG2 3.42Å; F44-V186 HydrophobicContact CE2-CB 4.31Å; F44-V186 HydrophobicContact CE2-CG2 4.36Å; F44-V186 HydrophobicContact CZ-CB 3.58Å; F44-V186 HydrophobicContact CZ-CG2 3.57Å; I141-V186 PolarHBondContact O-N 3.48Å; D142-V186 CarbonylContact C-O 3.58Å; E143-V186 WeakPolarHBondContact CA-O 3.13Å; E143-V186 PolarHBondContact N-O 2.92Å; V144-V186 PolarHBondContact N-O 3.4Å; V144-V186 VanDerWaalsContact N-O 3.16Å; V184-V186 HydrophobicContact CG1-CG2 4.39Å
187S88.7Confident84.7Confident1 Ų121.7 Ų21.71%0.00716%0.155CC..EExtended strand (participates in β ladder)trans-157160.1-178.1176.10000112.8A32 A34 E143 H145 I190A32-S187 PolarHBondContact O-N 2.88Å; A34-S187 PolarHBondContact N-O 3.02Å; A34-S187 VanDerWaalsContact O-O 3.05Å; E143-S187 WeakPolarHBondContact OE2-CA 3.32Å; H145-S187 PolarHBondContact ND1-OG 3.1Å; S187-I190 WeakPolarHBondContact OG-CD1 3.39Å
188A80.1Confident86.3Confident4 Ų422.9 Ų22.93%0.03315%0.15CC..SBendtrans-51.6174.3149.900000112.4A34 K40 E143 I190A34-A188 WeakPolarHBondContact O-CA 3.32Å; K40-A188 VanDerWaalsContact NZ-N 3.11Å; E143-A188 PolarHBondContact OE2-N 3.48Å; A188-I190 PolarHBondContact O-N 3.06Å
189T73.6Confident88.1Confident35 Ų3520 Ų2022%0.21512%0.119CC..  trans-55.8114.1-172.751.40000114.1C33 P35C33-T189 VanDerWaalsContact SG-CA 3.59Å; P35-T189 HydrophobicContact CG-CG2 4.46Å
190I82.7Confident89.6Confident6 Ų616.8 Ų16.83%0.03110%0.1CC..  trans-113.9124.2172.7-63.9171.2000108.4C33 V144 H145 S187 A188 N192 I196C33-I190 PolarHBondContact SG-N 3.15Å; V144-I190 HydrophobicContact CG1-CD1 4Å; H145-I190 HydrophobicContact CB-CD1 3.92Å; H145-I190 HydrophobicContact CB-CG1 3.86Å; S187-I190 WeakPolarHBondContact OG-CD1 3.39Å; A188-I190 PolarHBondContact O-N 3.06Å; I190-N192 WeakPolarHBondContact CG2-OD1 3.34Å; I190-I196 HydrophobicContact CD1-CG1 4.43Å
191P84.3Confident90Very high58 Ų5814.7 Ų14.738%0.3779%0.087SC..THydrogen-bonded Turntrans-64.4-45.7176.3-19.930.6000112.7I193 G414 E416P191-I193 VanDerWaalsContact C-N 3.34Å; P191-I193 PolarHBondContact O-N 2.75Å; P191-G414 WeakPolarHBondContact CG-O 3.5Å; P191-E416 VanDerWaalsContact CD-O 3.31Å; P191-E416 WeakPolarHBondContact CD-O 3.48Å; P191-E416 WeakPolarHBondContact CG-O 3.45Å
192N90.5Very high89.3Confident15 Ų1516.9 Ų16.98%0.0810%0.099CC..THydrogen-bonded Turntrans-95.444.7-175.463.8-47000112.5I190 C194 D195 I417 T418I190-N192 WeakPolarHBondContact CG2-OD1 3.34Å; N192-C194 PolarHBondContact O-N 2.87Å; N192-D195 HydrophobicContact CB-CB 4.4Å; N192-D195 WeakPolarHBondContact CB-OD2 3.06Å; N192-D195 PolarHBondContact ND2-OD2 2.57Å; N192-D195 WeakPolarHBondContact O-CB 3.41Å; N192-D195 PolarHBondContact O-N 2.65Å; N192-I417 HydrophobicContact CB-CG2 4.36Å; N192-T418 PolarHBondContact ND2-O 3.07Å; N192-T418 PolarHBondContact OD1-N 3.29Å
193I91.2Very high88.1Confident4 Ų419.9 Ų19.92%0.02114%0.135CC..Hα-helixtrans-54.9-32.7176.2176.8161.6000112.4V31 C33 P191 D195 I196 A197 Y209 L210V31-I193 HydrophobicContact CB-CD1 4.16Å; V31-I193 HydrophobicContact CB-CG1 4.26Å; V31-I193 HydrophobicContact CG1-CD1 3.78Å; V31-I193 HydrophobicContact CG1-CG1 3.79Å; C33-I193 HydrophobicContact CB-CB 4.36Å; C33-I193 HydrophobicContact CB-CD1 3.43Å; C33-I193 VanDerWaalsContact CB-CD1 3.43Å; C33-I193 HydrophobicContact CB-CG1 4.42Å; P191-I193 VanDerWaalsContact C-N 3.34Å; P191-I193 PolarHBondContact O-N 2.75Å; I193-D195 PolarHBondContact O-N 3.49Å; I193-I196 WeakPolarHBondContact O-CB 3.43Å; I193-I196 PolarHBondContact O-N 3.44Å; I193-A197 PolarHBondContact O-N 3.12Å; I193-Y209 HydrophobicContact CD1-CD2 4.29Å; I193-Y209 HydrophobicContact CG1-CD2 4.16Å; I193-Y209 HydrophobicContact CG1-CG 4.38Å; I193-Y209 HydrophobicContact CG2-CD2 4.06Å; I193-Y209 HydrophobicContact CG2-CE2 4.35Å; I193-L210 WeakPolarHBondContact CD1-O 3.29Å
194C92.2Very high86.7Confident49 Ų4925.3 Ų25.333%0.33117%0.173SC..Hα-helixtrans-56.2-37.2174.5-51.30000112.1N192 I196 A197 D198N192-C194 PolarHBondContact O-N 2.87Å; C194-I196 VanDerWaalsContact C-N 3.32Å; C194-I196 PolarHBondContact O-N 3.05Å; C194-A197 PolarHBondContact O-N 2.96Å; C194-D198 WeakPolarHBondContact O-CB 3.29Å; C194-D198 PolarHBondContact O-N 3.15Å
195D94.2Very high85.6Confident11 Ų1130 Ų306%0.05920%0.195CC..Hα-helixtrans-68.5-33178-57.5-3.3000112.2N192 I193 W199 F453 I456 R457 K460N192-D195 HydrophobicContact CB-CB 4.4Å; N192-D195 WeakPolarHBondContact CB-OD2 3.06Å; N192-D195 PolarHBondContact ND2-OD2 2.57Å; N192-D195 WeakPolarHBondContact O-CB 3.41Å; N192-D195 PolarHBondContact O-N 2.65Å; I193-D195 PolarHBondContact O-N 3.49Å; D195-W199 VanDerWaalsContact O-CB 3.3Å; D195-W199 WeakPolarHBondContact O-CB 3.26Å; D195-W199 PolarHBondContact O-N 3.37Å; D195-F453 HydrophobicContact CB-CE2 3.78Å; D195-F453 HydrophobicContact CB-CZ 4.41Å; D195-I456 HydrophobicContact CB-CG2 3.96Å; D195-R457 VanDerWaalsContact OD2-CD 3.32Å; D195-R457 WeakPolarHBondContact OD2-CD 3.22Å; D195-R457 IonicContact OD2-CZ 3.67Å; D195-R457 IonicContact OD2-NE 3.6Å; D195-R457 IonicContact OD2-NH1 2.64Å; D195-R457 PolarHBondContact OD2-NH1 3.22Å; D195-K460 VanDerWaalsContact OD1-CD 3.3Å; D195-K460 WeakPolarHBondContact OD1-CD 3.36Å; D195-K460 WeakPolarHBondContact OD1-CE 3.49Å; D195-K460 IonicContact OD1-NZ 2.68Å; D195-K460 PolarHBondContact OD1-NZ 3.3Å
196I93.8Very high85.1Confident0 Ų034.2 Ų34.20%022%0.223CC..Hα-helixtrans-73-36.6175.1-57.5-70.5000109.6V31 V144 V147 I190 I193 C194 W199 L200 F453V31-I196 HydrophobicContact CG1-CB 4.27Å; V31-I196 HydrophobicContact CG1-CG2 3.72Å; V31-I196 HydrophobicContact CG2-CG2 4.3Å; V144-I196 HydrophobicContact CG1-CG2 4.21Å; V144-I196 HydrophobicContact CG2-CG2 4.26Å; V147-I196 HydrophobicContact CG1-CD1 4.39Å; I190-I196 HydrophobicContact CD1-CG1 4.43Å; I193-I196 WeakPolarHBondContact O-CB 3.43Å; I193-I196 PolarHBondContact O-N 3.44Å; C194-I196 VanDerWaalsContact C-N 3.32Å; C194-I196 PolarHBondContact O-N 3.05Å; I196-W199 HydrophobicContact CD1-CE3 4.32Å; I196-W199 HydrophobicContact CG2-CE3 4.47Å; I196-L200 HydrophobicContact CG2-CD1 3.86Å; I196-L200 HydrophobicContact CG2-CG 4.4Å; I196-L200 VanDerWaalsContact O-CB 3.31Å; I196-L200 WeakPolarHBondContact O-CB 3.44Å; I196-L200 VanDerWaalsContact O-CG 3.23Å; I196-L200 WeakPolarHBondContact O-CG 3.45Å; I196-L200 PolarHBondContact O-N 3.38Å; I196-F453 HydrophobicContact CD1-CD2 4.08Å; I196-F453 HydrophobicContact CD1-CE1 4.18Å; I196-F453 HydrophobicContact CD1-CE2 3.49Å; I196-F453 VanDerWaalsContact CD1-CE2 3.49Å; I196-F453 HydrophobicContact CD1-CZ 3.54Å; I196-F453 HydrophobicContact CG1-CE2 4.24Å; I196-F453 HydrophobicContact CG1-CZ 4.41Å
197A93.3Very high84.9Confident3 Ų334.8 Ų34.83%0.02523%0.227CC..Hα-helixtrans-67.2-43.6172.400000112V31 I193 C194 W199 L200 S201 A207 Y209V31-A197 HydrophobicContact CG2-CB 4.16Å; I193-A197 PolarHBondContact O-N 3.12Å; C194-A197 PolarHBondContact O-N 2.96Å; A197-W199 PolarHBondContact O-N 3.32Å; A197-L200 CarbonylContact O-C 3.48Å; A197-L200 PolarHBondContact O-N 2.99Å; A197-S201 PolarHBondContact O-N 3.3Å; A197-S201 PolarHBondContact O-OG 3.44Å; A197-A207 HydrophobicContact CB-CB 4.24Å; A197-A207 WeakPolarHBondContact O-CB 3.45Å; A197-Y209 HydrophobicContact CB-CD1 3.89Å; A197-Y209 HydrophobicContact CB-CG 4.26Å
198D92.6Very high85Confident75 Ų7536 Ų3640%0.40124%0.236SC..Hα-helixtrans-55.1-51.6172-65.9-23.4000110C194 L200 S201 I456 K460C194-D198 WeakPolarHBondContact O-CB 3.29Å; C194-D198 PolarHBondContact O-N 3.15Å; D198-L200 PolarHBondContact O-N 3.48Å; D198-S201 WeakPolarHBondContact O-CB 3.5Å; D198-S201 PolarHBondContact O-N 3.48Å; D198-I456 HydrophobicContact CB-CD1 4.35Å; D198-I456 HydrophobicContact CB-CG2 4.31Å; D198-K460 IonicContact OD2-NZ 3.44Å; D198-K460 PolarHBondContact OD2-NZ 3.48Å
199W93.3Very high85.6Confident4 Ų441.4 Ų41.42%0.01526%0.256CS..Hα-helixtrans-62.1-38.3178.7173.747.7000113.2V144 E157 V160 K164 D195 I196 A197 S201 S451 T452 F453 I456V144-W199 HydrophobicContact CG2-CZ3 4.2Å; E157-W199 HydrophobicContact CB-CZ2 4.47Å; E157-W199 HydrophobicContact CG-CH2 4.39Å; E157-W199 HydrophobicContact CG-CZ2 3.89Å; V160-W199 HydrophobicContact CB-CH2 3.69Å; V160-W199 HydrophobicContact CB-CZ2 3.61Å; V160-W199 HydrophobicContact CG1-CH2 3.63Å; V160-W199 HydrophobicContact CG1-CZ2 3.48Å; V160-W199 VanDerWaalsContact CG1-CZ2 3.48Å; V160-W199 HydrophobicContact CG1-CZ3 4.36Å; V160-W199 HydrophobicContact CG2-CH2 4.05Å; V160-W199 HydrophobicContact CG2-CZ2 4.46Å; K164-W199 PolarHBondContact NZ-O 3.28Å; D195-W199 VanDerWaalsContact O-CB 3.3Å; D195-W199 WeakPolarHBondContact O-CB 3.26Å; D195-W199 PolarHBondContact O-N 3.37Å; I196-W199 HydrophobicContact CD1-CE3 4.32Å; I196-W199 HydrophobicContact CG2-CE3 4.47Å; A197-W199 PolarHBondContact O-N 3.32Å; W199-S201 VanDerWaalsContact C-N 3.35Å; W199-S451 VanDerWaalsContact CD1-O 3.23Å; W199-S451 PolarHBondContact NE1-O 2.91Å; W199-S451 VanDerWaalsContact NE1-O 3.12Å; W199-T452 VanDerWaalsContact CD1-C 3.43Å; W199-F453 HydrophobicContact CB-CD2 3.98Å; W199-F453 HydrophobicContact CD2-CB 3.79Å; W199-F453 HydrophobicContact CD2-CD2 4.25Å; W199-F453 HydrophobicContact CD2-CG 4.37Å; W199-F453 HydrophobicContact CE3-CB 4.17Å; W199-F453 HydrophobicContact CE3-CD2 4.23Å; W199-F453 HydrophobicContact CE3-CG 4.37Å; W199-F453 HydrophobicContact CG-CB 4Å; W199-F453 HydrophobicContact CG-CD2 4.15Å; W199-F453 HydrophobicContact CZ2-CB 4.42Å; W199-I456 HydrophobicContact CB-CG1 4.15Å
200L92.1Very high86.5Confident0 Ų040.7 Ų40.70%025%0.251CS..Hα-helixtrans-86.61.4178.9-63.6177.1000113.9N29 V31 I141 V160 L183 A185 I196 A197 D198N29-L200 PolarHBondContact ND2-O 3.24Å; V31-L200 HydrophobicContact CG2-CD1 3.86Å; I141-L200 HydrophobicContact CD1-CD2 4.47Å; V160-L200 HydrophobicContact CG1-CD2 3.47Å; V160-L200 VanDerWaalsContact CG1-CD2 3.47Å; L183-L200 HydrophobicContact CD1-CD2 4.27Å; A185-L200 HydrophobicContact CB-CD1 3.49Å; A185-L200 VanDerWaalsContact CB-CD1 3.49Å; I196-L200 HydrophobicContact CG2-CD1 3.86Å; I196-L200 HydrophobicContact CG2-CG 4.4Å; I196-L200 VanDerWaalsContact O-CB 3.31Å; I196-L200 WeakPolarHBondContact O-CB 3.44Å; I196-L200 VanDerWaalsContact O-CG 3.23Å; I196-L200 WeakPolarHBondContact O-CG 3.45Å; I196-L200 PolarHBondContact O-N 3.38Å; A197-L200 CarbonylContact O-C 3.48Å; A197-L200 PolarHBondContact O-N 2.99Å; D198-L200 PolarHBondContact O-N 3.48Å
201S87.8Confident86.8Confident23 Ų2343.7 Ų43.716%0.16127%0.272CS..  trans-72.1147.1177.2-67.50000112.4K164 A197 D198 W199 G203 P206 A207K164-S201 VanDerWaalsContact CE-O 3.29Å; K164-S201 WeakPolarHBondContact CE-O 3.43Å; K164-S201 PolarHBondContact NZ-O 2.78Å; A197-S201 PolarHBondContact O-N 3.3Å; A197-S201 PolarHBondContact O-OG 3.44Å; D198-S201 WeakPolarHBondContact O-CB 3.5Å; D198-S201 PolarHBondContact O-N 3.48Å; W199-S201 VanDerWaalsContact C-N 3.35Å; S201-G203 PolarHBondContact O-N 3.21Å; S201-P206 WeakPolarHBondContact OG-CA 3.49Å; S201-A207 PolarHBondContact OG-N 3.42Å
202N72.8Confident86.9Confident50 Ų5041.2 Ų41.227%0.26726%0.256SS..  trans-95.820.8-174.4-82-6.2000113.2N29 S204 E205N29-N202 VanDerWaalsContact ND2-CG 3.27Å; N29-N202 PolarHBondContact ND2-ND2 2.96Å; N29-N202 PolarHBondContact ND2-OD1 2.84Å; N202-S204 PolarHBondContact O-N 3.39Å; N202-E205 PolarHBondContact N-O 2.61Å
203G67.1Low86.4Confident79 Ų7944.5 Ų44.581%0.81427%0.273SS*.SBendtrans78.7-58.8177.900000113.6S201S201-G203 PolarHBondContact O-N 3.21Å
204S65.5Low85.7Confident115 Ų11546.7 Ų46.780%0.80428%0.284SS*.SBendtrans-76.9-35.5174.652.80000113N202N202-S204 PolarHBondContact O-N 3.39Å
205E74.1Confident85.1Confident97 Ų9747.8 Ų47.845%0.45329%0.292SS..SBendtrans-117.4130.6174.7-66-151.9127.500112N202N202-E205 PolarHBondContact N-O 2.61Å
206P83.9Confident84.4Confident90 Ų9050.6 Ų50.658%0.58431%0.305SS*.PPolyproline II helixtrans-74.7144.1168.731.9-33.8000110.8S201S201-P206 WeakPolarHBondContact OG-CA 3.49Å
207A88.6Confident83.7Confident11 Ų1151.2 Ų51.29%0.09131%0.307CS..PPolyproline II helixtrans-69.2132.8174.400000111.4N29 A197 S201N29-A207 HydrophobicContact CB-CB 3.93Å; N29-A207 CarbonylContact O-C 3.57Å; N29-A207 VanDerWaalsContact O-CA 3.25Å; N29-A207 WeakPolarHBondContact O-CA 3.34Å; N29-A207 WeakPolarHBondContact O-CB 3.46Å; A197-A207 HydrophobicContact CB-CB 4.24Å; A197-A207 WeakPolarHBondContact O-CB 3.45Å; S201-A207 PolarHBondContact OG-N 3.42Å
208S92.4Very high83Confident28 Ų2854.4 Ų54.420%0.19633%0.327CS..EExtended strand (participates in β ladder)trans-65.8145.3166.6-81.40000109.3D22 N29 F30 V31D22-S208 VanDerWaalsContact OD1-CB 3.26Å; D22-S208 WeakPolarHBondContact OD1-CB 3.5Å; D22-S208 PolarHBondContact OD1-OG 3.44Å; N29-S208 PolarHBondContact O-N 2.9Å; F30-S208 CarbonylContact C-O 3.54Å; F30-S208 VanDerWaalsContact CA-O 3.31Å; F30-S208 WeakPolarHBondContact CA-O 3.47Å; V31-S208 PolarHBondContact N-O 3.44Å
209Y92Very high82.6Confident116 Ų11651.1 Ų51.146%0.45531%0.31SS..EExtended strand (participates in β ladder)trans-140.5148.4172.871.1-90.5000113V31 I193 A197V31-Y209 CarbonylContact O-C 3.58Å; V31-Y209 WeakPolarHBondContact O-CA 3.29Å; I193-Y209 HydrophobicContact CD1-CD2 4.29Å; I193-Y209 HydrophobicContact CG1-CD2 4.16Å; I193-Y209 HydrophobicContact CG1-CG 4.38Å; I193-Y209 HydrophobicContact CG2-CD2 4.06Å; I193-Y209 HydrophobicContact CG2-CE2 4.35Å; A197-Y209 HydrophobicContact CB-CD1 3.89Å; A197-Y209 HydrophobicContact CB-CG 4.26Å
210L92.3Very high82.3Confident20 Ų2058 Ų5811%0.10534%0.34CS..EExtended strand (participates in β ladder)trans-122.7117.3176.8-174.964.5000109.4K18 A19 F30 V31 C33 I193 M212K18-L210 HydrophobicContact CB-CD2 4.49Å; K18-L210 HydrophobicContact CG-CD1 3.94Å; K18-L210 HydrophobicContact CG-CD2 4.49Å; A19-L210 HydrophobicContact CB-CD2 3.75Å; F30-L210 HydrophobicContact CE2-CB 4.11Å; F30-L210 HydrophobicContact CZ-CB 3.77Å; F30-L210 HydrophobicContact CZ-CD2 4.4Å; V31-L210 PolarHBondContact O-N 3.48Å; C33-L210 PolarHBondContact N-O 3.09Å; I193-L210 WeakPolarHBondContact CD1-O 3.29Å; L210-M212 HydrophobicContact CD1-CE 3.97Å; L210-M212 HydrophobicContact CD2-CE 4.07Å; L210-M212 HydrophobicContact CD2-CG 4.44Å; L210-M212 HydrophobicContact CG-CE 4.23Å; L210-M212 HydrophobicContact CG-CG 4.22Å
211S89.7Confident82.1Confident69 Ų6959.2 Ų59.248%0.48335%0.347SS..EExtended strand (participates in β ladder)trans-104.9120.9172.8-159.50000110.1
212M86.3Confident82.3Confident7 Ų765.1 Ų65.13%0.03437%0.365CS..  trans-122.5124.6174.9-68.7-78.7-173.900108.9Y14 V15 K18 C33 A34 L210 H216Y14-M212 HydrophobicContact CD1-CE 3.94Å; Y14-M212 HydrophobicContact CD1-SD 4.14Å; Y14-M212 HydrophobicContact CE1-CE 3.49Å; Y14-M212 VanDerWaalsContact CE1-CE 3.49Å; Y14-M212 HydrophobicContact CE1-SD 3.69Å; V15-M212 HydrophobicContact CG1-CG 4.31Å; V15-M212 HydrophobicContact CG2-CB 4.48Å; V15-M212 HydrophobicContact CG2-CG 4.08Å; V15-M212 HydrophobicContact CG2-SD 4.36Å; K18-M212 HydrophobicContact CB-CE 3.69Å; K18-M212 HydrophobicContact CG-CE 3.66Å; C33-M212 WeakPolarHBondContact O-CB 3.29Å; C33-M212 PolarHBondContact O-N 3.23Å; A34-M212 HydrophobicContact CB-CB 4.2Å; L210-M212 HydrophobicContact CD1-CE 3.97Å; L210-M212 HydrophobicContact CD2-CE 4.07Å; L210-M212 HydrophobicContact CD2-CG 4.44Å; L210-M212 HydrophobicContact CG-CE 4.23Å; L210-M212 HydrophobicContact CG-CG 4.22Å; M212-H216 HydrophobicContact CB-CB 4.36Å; M212-H216 HydrophobicContact SD-CB 4.08Å; M212-H216 PolarHBondContact SD-CD2 3.27Å
213D79.6Confident83.1Confident83 Ų8365.4 Ų65.444%0.44436%0.364SS..  trans-78.4-179.3178.587-38.1000112.5P35 S215 H216P35-D213 WeakPolarHBondContact CD-O 3.48Å; P35-D213 WeakPolarHBondContact CG-O 3.28Å; D213-S215 VanDerWaalsContact CG-N 3.29Å; D213-S215 PolarHBondContact O-N 3.18Å; D213-S215 VanDerWaalsContact OD1-CB 3.25Å; D213-S215 WeakPolarHBondContact OD1-CB 3.48Å; D213-S215 PolarHBondContact OD1-N 2.82Å; D213-S215 VanDerWaalsContact OD1-N 3.08Å; D213-S215 PolarHBondContact OD1-OG 2.93Å; D213-S215 VanDerWaalsContact OD2-CB 3.3Å; D213-S215 WeakPolarHBondContact OD2-CB 3.4Å; D213-S215 PolarHBondContact OD2-N 3.47Å; D213-S215 PolarHBondContact OD2-OG 2.85Å; D213-H216 PolarHBondContact O-N 2.73Å; D213-H216 IonicContact OD1-CD2 2.59Å; D213-H216 PolarHBondContact OD1-CD2 3.04Å; D213-H216 IonicContact OD1-CG 2.62Å; D213-H216 IonicContact OD1-NE2 2.6Å
214E76.8Confident84.4Confident50 Ų5062.7 Ų62.723%0.23433%0.332CS..G310 helixtrans-62.3-24177-166.472.9-15200113H216 R217 K223E214-H216 PolarHBondContact O-N 2.89Å; E214-R217 VanDerWaalsContact O-CB 3.28Å; E214-R217 WeakPolarHBondContact O-CB 3.43Å; E214-R217 PolarHBondContact O-N 3.02Å; E214-R217 WeakPolarHBondContact OE1-CD 3.33Å; E214-K223 VanDerWaalsContact CD-CE 3.43Å; E214-K223 IonicContact OE1-NZ 3.99Å; E214-K223 WeakPolarHBondContact OE2-CE 3.36Å; E214-K223 IonicContact OE2-NZ 3.56Å; E214-K223 PolarHBondContact OE2-NZ 2.96Å
215S79.1Confident85.9Confident73 Ų7357.8 Ų57.851%0.5130%0.297SS..G310 helixtrans-64.2-28.418086.50000113.1D213 R217D213-S215 VanDerWaalsContact CG-N 3.29Å; D213-S215 PolarHBondContact O-N 3.18Å; D213-S215 VanDerWaalsContact OD1-CB 3.25Å; D213-S215 WeakPolarHBondContact OD1-CB 3.48Å; D213-S215 PolarHBondContact OD1-N 2.82Å; D213-S215 VanDerWaalsContact OD1-N 3.08Å; D213-S215 PolarHBondContact OD1-OG 2.93Å; D213-S215 VanDerWaalsContact OD2-CB 3.3Å; D213-S215 WeakPolarHBondContact OD2-CB 3.4Å; D213-S215 PolarHBondContact OD2-N 3.47Å; D213-S215 PolarHBondContact OD2-OG 2.85Å; S215-R217 VanDerWaalsContact C-N 3.28Å; S215-R217 PolarHBondContact O-N 3.45Å
216H79Confident86.9Confident69 Ų6954.9 Ų54.932%0.31928%0.284SS..G310 helixtrans-83.66.6178.1-63.1-61.3000114.2Y14 M212 D213 E214Y14-H216 HydrophobicContact CD1-CB 4.42Å; Y14-H216 AromaticContact CD1-ND1 3.59Å; Y14-H216 AromaticContact CE1-CE1 3.45Å; Y14-H216 VanDerWaalsContact CE1-CE1 3.45Å; Y14-H216 WeakPolarHBondContact CE1-CE1 3.23Å; Y14-H216 AromaticContact CE1-CG 3.94Å; Y14-H216 AromaticContact CE1-ND1 3.28Å; Y14-H216 VanDerWaalsContact CE1-ND1 3.28Å; Y14-H216 WeakPolarHBondContact CE1-ND1 3.35Å; M212-H216 HydrophobicContact CB-CB 4.36Å; M212-H216 HydrophobicContact SD-CB 4.08Å; M212-H216 PolarHBondContact SD-CD2 3.27Å; D213-H216 PolarHBondContact O-N 2.73Å; D213-H216 IonicContact OD1-CD2 2.59Å; D213-H216 PolarHBondContact OD1-CD2 3.04Å; D213-H216 IonicContact OD1-CG 2.62Å; D213-H216 IonicContact OD1-NE2 2.6Å; E214-H216 PolarHBondContact O-N 2.89Å
217R80.2Confident87.4Confident13 Ų1351.9 Ų51.95%0.04927%0.27CS..  trans-70.4128.8175.5-166.3170.5-171-102.36.4110.9P35 T36 E214 S215 V219 G383 A385P35-R217 HydrophobicContact CB-CB 3.91Å; P35-R217 HydrophobicContact CB-CG 3.91Å; P35-R217 HydrophobicContact CG-CB 4.13Å; T36-R217 PolarHBondContact O-NE 3.35Å; T36-R217 PolarHBondContact O-NH2 2.94Å; E214-R217 VanDerWaalsContact O-CB 3.28Å; E214-R217 WeakPolarHBondContact O-CB 3.43Å; E214-R217 PolarHBondContact O-N 3.02Å; E214-R217 WeakPolarHBondContact OE1-CD 3.33Å; S215-R217 VanDerWaalsContact C-N 3.28Å; S215-R217 PolarHBondContact O-N 3.45Å; R217-V219 PolarHBondContact NH1-O 3.46Å; R217-V219 PolarHBondContact O-N 3Å; R217-V219 VanDerWaalsContact O-N 3.09Å; R217-G383 PolarHBondContact NH2-O 2.9Å; R217-A385 VanDerWaalsContact CZ-O 3.23Å; R217-A385 PolarHBondContact NH1-O 2.74Å; R217-A385 PolarHBondContact NH2-O 3.14Å
218P78.9Confident87.7Confident70 Ų7053.2 Ų53.246%0.45527%0.274SS..SBendtrans-57.5-28.1-176.8-28.934.9000115.5S38S38-P218 WeakPolarHBondContact OG-CD 3.49Å
219V83.6Confident87.5Confident6 Ų656.9 Ų56.94%0.03630%0.297CS..SBendtrans-121.4114.8173-174.40000108.2R217 L221 D391 A394R217-V219 PolarHBondContact NH1-O 3.46Å; R217-V219 PolarHBondContact O-N 3Å; R217-V219 VanDerWaalsContact O-N 3.09Å; V219-L221 PolarHBondContact O-N 3.31Å; V219-D391 HydrophobicContact CG1-CB 4.11Å; V219-D391 WeakPolarHBondContact CG1-O 3.19Å; V219-D391 WeakPolarHBondContact CG2-O 3.38Å; V219-A394 HydrophobicContact CG1-CB 4.01Å
220K86.4Confident87.1Confident149 Ų14952.9 Ų52.965%0.64829%0.285SS*.EExtended strand (participates in β ladder)trans-65.9124.6-173.2-71-170.5176.2-174.90111.1T392 S393 A394K220-T392 PolarHBondContact N-O 3.49Å; K220-S393 CarbonylContact O-C 3.58Å; K220-S393 VanDerWaalsContact O-CA 3.3Å; K220-S393 WeakPolarHBondContact O-CA 3.17Å; K220-A394 PolarHBondContact O-N 2.67Å
221L87.9Confident86.5Confident26 Ų2654.8 Ų54.814%0.13630%0.3CS..EExtended strand (participates in β ladder)trans-99.6114.4-172.3-175.458.3000112.5V219 K223 I382 A385 A394 A396V219-L221 PolarHBondContact O-N 3.31Å; L221-K223 HydrophobicContact CD2-CG 4.04Å; L221-K223 HydrophobicContact CG-CG 3.93Å; L221-K223 PolarHBondContact O-N 3.33Å; L221-I382 HydrophobicContact CD2-CG2 3.6Å; L221-A385 HydrophobicContact CD1-CB 3.52Å; L221-A394 HydrophobicContact CD1-CB 4.23Å; L221-A396 HydrophobicContact CD1-CB 3.87Å; L221-A396 HydrophobicContact CG-CB 4.47Å
222R91.4Very high85.6Confident147 Ų14756 Ų5656%0.55532%0.324SS*.EExtended strand (participates in β ladder)trans-79.3101.2168.1-173.5-175.4-173.7-174.53109.3V224 A394 T395 A396R222-V224 HydrophobicContact CG-CG2 4.07Å; R222-A394 PolarHBondContact N-O 3.2Å; R222-T395 HydrophobicContact CB-CG2 4.28Å; R222-T395 HydrophobicContact CG-CG2 4.38Å; R222-T395 WeakPolarHBondContact O-CA 3.41Å; R222-A396 PolarHBondContact O-N 2.75Å
223K90.5Very high85Confident56 Ų5661.8 Ų61.824%0.24336%0.36CS..EExtended strand (participates in β ladder)trans-85.3128.1176.6-59.6174.7179.5175.40109.9E214 L221 M412E214-K223 VanDerWaalsContact CD-CE 3.43Å; E214-K223 IonicContact OE1-NZ 3.99Å; E214-K223 WeakPolarHBondContact OE2-CE 3.36Å; E214-K223 IonicContact OE2-NZ 3.56Å; E214-K223 PolarHBondContact OE2-NZ 2.96Å; L221-K223 HydrophobicContact CD2-CG 4.04Å; L221-K223 HydrophobicContact CG-CG 3.93Å; L221-K223 PolarHBondContact O-N 3.33Å; K223-M412 HydrophobicContact CB-CB 4.41Å; K223-M412 HydrophobicContact CB-CG 4.5Å; K223-M412 HydrophobicContact CB-SD 3.9Å; K223-M412 HydrophobicContact CD-CB 4.14Å; K223-M412 HydrophobicContact CD-CE 4.32Å; K223-M412 WeakPolarHBondContact CD-O 3.46Å; K223-M412 HydrophobicContact CD-SD 3.75Å; K223-M412 WeakPolarHBondContact CE-O 3.47Å; K223-M412 HydrophobicContact CG-SD 3.78Å; K223-M412 PolarHBondContact NZ-O 2.89Å
224V94.7Very high85Confident21 Ų2160.2 Ų60.213%0.12735%0.35CS..EExtended strand (participates in β ladder)trans-134125.9-176.8-173.50000109.9R222 L226 Y254 T395 A396 V397 I398R222-V224 HydrophobicContact CG-CG2 4.07Å; V224-L226 HydrophobicContact CG1-CD2 3.79Å; V224-L226 HydrophobicContact CG1-CG 4.02Å; V224-Y254 HydrophobicContact CG2-CE1 4.26Å; V224-T395 HydrophobicContact CG2-CG2 4.11Å; V224-A396 PolarHBondContact N-O 3.14Å; V224-V397 HydrophobicContact CB-CG2 4.31Å; V224-V397 CarbonylContact O-C 3.48Å; V224-V397 WeakPolarHBondContact O-CA 3.38Å; V224-I398 PolarHBondContact O-N 2.92Å
225V95.6Very high85.3Confident13 Ų1361.7 Ų61.78%0.07936%0.362CS..EExtended strand (participates in β ladder)trans-118.1113.3176.7-168.90000110.2I398 T400 R405 M409 M412V225-I398 HydrophobicContact CG1-CB 4.26Å; V225-I398 HydrophobicContact CG1-CG2 4.41Å; V225-I398 HydrophobicContact CG2-CB 4.39Å; V225-I398 HydrophobicContact CG2-CD1 4.35Å; V225-T400 HydrophobicContact CG1-CG2 3.87Å; V225-R405 HydrophobicContact CB-CG 4.42Å; V225-R405 HydrophobicContact CG1-CG 3.91Å; V225-R405 PolarHBondContact O-NE 3.23Å; V225-M409 HydrophobicContact CG2-CB 4.34Å; V225-M412 HydrophobicContact CG2-CG 4.14Å
226L96.1Very high85.6Confident35 Ų3560.8 Ų60.818%0.18335%0.35CS..EExtended strand (participates in β ladder)trans-105.7117.4-176.3-59.2-178.8000110V224 F228 I250 Y254 V397 I398 T400V224-L226 HydrophobicContact CG1-CD2 3.79Å; V224-L226 HydrophobicContact CG1-CG 4.02Å; L226-F228 HydrophobicContact CB-CD2 4.43Å; L226-F228 HydrophobicContact CB-CE2 3.6Å; L226-F228 HydrophobicContact CB-CZ 4.03Å; L226-F228 HydrophobicContact CD1-CZ 4.28Å; L226-I250 HydrophobicContact CD1-CD1 3.36Å; L226-Y254 HydrophobicContact CD1-CE2 4.33Å; L226-V397 HydrophobicContact CD1-CG1 3.68Å; L226-V397 HydrophobicContact CG-CG1 4.11Å; L226-I398 PolarHBondContact N-O 3.05Å; L226-T400 PolarHBondContact O-N 3.4Å
227G94.5Very high85.7Confident28 Ų2863.4 Ų63.429%0.28936%0.361SS..EExtended strand (participates in β ladder)trans-92.5117.8175.300000111T400G227-T400 CarbonylContact C-O 3.58Å; G227-T400 WeakPolarHBondContact CA-O 3.36Å
228F93.6Very high86Confident38 Ų3869.1 Ų69.117%0.16739%0.386CS..EExtended strand (participates in β ladder)trans-100143.4176.7-65.9-87.6000110.9L226 F239 L243 K246 M399 T400 K401 V402L226-F228 HydrophobicContact CB-CD2 4.43Å; L226-F228 HydrophobicContact CB-CE2 3.6Å; L226-F228 HydrophobicContact CB-CZ 4.03Å; L226-F228 HydrophobicContact CD1-CZ 4.28Å; F228-F239 HydrophobicContact CB-CE2 3.89Å; F228-F239 HydrophobicContact CB-CZ 4.08Å; F228-L243 HydrophobicContact CB-CD2 4.15Å; F228-L243 HydrophobicContact CD1-CD2 4.38Å; F228-L243 HydrophobicContact CD2-CD2 3.94Å; F228-L243 HydrophobicContact CG-CD2 3.88Å; F228-K246 HydrophobicContact CE1-CB 4.47Å; F228-K246 HydrophobicContact CE1-CG 4.13Å; F228-M399 HydrophobicContact CD2-CB 4.24Å; F228-M399 HydrophobicContact CD2-CE 4.4Å; F228-M399 HydrophobicContact CE1-CE 4.35Å; F228-M399 HydrophobicContact CE2-CB 3.79Å; F228-M399 HydrophobicContact CE2-CE 3.55Å; F228-M399 HydrophobicContact CE2-CG 3.86Å; F228-M399 HydrophobicContact CZ-CE 3.53Å; F228-T400 PolarHBondContact N-O 2.74Å; F228-K401 WeakPolarHBondContact O-CA 3.29Å; F228-V402 PolarHBondContact O-N 2.7Å; F228-V402 VanDerWaalsContact O-N 3.12Å
229P89.7Confident86.6Confident105 Ų10565.9 Ų65.968%0.68237%0.365SS*.PPolyproline II helixtrans-65137.2176.727.9-34.2000110.6
230C83.8Confident86.8Confident32 Ų3266 Ų6622%0.21637%0.365CS..  trans-137125175-174.60000106.4F239 K401C230-F239 HydrophobicContact CB-CD2 3.66Å; C230-F239 HydrophobicContact CB-CE2 3.95Å; C230-F239 HydrophobicContact CB-CG 4.49Å; C230-K401 HydrophobicContact CB-CD 4.42Å; C230-K401 HydrophobicContact CB-CG 4.21Å
231S79.3Confident87Confident60 Ų6061.8 Ų61.842%0.4235%0.349SS..  trans-72.4153.1174.771.90000110T233 Q234S231-T233 PolarHBondContact O-N 3.26Å; S231-T233 PolarHBondContact OG-OG1 2.68Å; S231-Q234 WeakPolarHBondContact O-CB 3.17Å; S231-Q234 PolarHBondContact O-N 2.82Å; S231-Q234 WeakPolarHBondContact OG-CB 3.42Å; S231-Q234 PolarHBondContact OG-N 2.86Å
232G70.9Confident87.2Confident94 Ų9462.5 Ų62.597%0.96936%0.357SS*.THydrogen-bonded Turntrans-62.5-12.2174.900000114.2
233T72.9Confident87.2Confident130 Ų13055.6 Ų55.680%0.79833%0.331SS*.THydrogen-bonded Turntrans-98-4.7175.951.90000113.7S231S231-T233 PolarHBondContact O-N 3.26Å; S231-T233 PolarHBondContact OG-OG1 2.68Å
234Q79.6Confident87.4Confident49 Ų4953 Ų5323%0.22932%0.32CS..  trans-89.4120.2-177.4-174.8174.45.500110.3S231 K238S231-Q234 WeakPolarHBondContact O-CB 3.17Å; S231-Q234 PolarHBondContact O-N 2.82Å; S231-Q234 WeakPolarHBondContact OG-CB 3.42Å; S231-Q234 PolarHBondContact OG-N 2.86Å; Q234-K238 HydrophobicContact CG-CB 3.69Å; Q234-K238 PolarHBondContact NE2-O 3.17Å
235T84.1Confident87.2Confident81 Ų8159 Ų5950%0.49734%0.341SS..  trans-67.6151.6174.858.10000111.4F237 K238 F239T235-F237 PolarHBondContact O-N 3.27Å; T235-F237 VanDerWaalsContact O-N 3.1Å; T235-K238 CarbonylContact O-C 3.58Å; T235-K238 WeakPolarHBondContact O-CA 3.48Å; T235-K238 WeakPolarHBondContact O-CB 3.47Å; T235-K238 PolarHBondContact O-N 3.18Å; T235-F239 PolarHBondContact O-N 3.29Å
236E84.3Confident87.1Confident54 Ų5463.3 Ų63.325%0.25236%0.359SS..Hα-helixtrans-51.5-37.5178.7-54.6-58.3157.600112.8F239 D240 C370 K401E236-F239 WeakPolarHBondContact O-CB 3.23Å; E236-F239 PolarHBondContact O-N 2.83Å; E236-D240 WeakPolarHBondContact O-CB 3.27Å; E236-D240 PolarHBondContact O-N 3.06Å; E236-C370 HydrophobicContact CG-CB 4.34Å; E236-K401 IonicContact OE1-NZ 3.6Å; E236-K401 PolarHBondContact OE1-NZ 2.88Å; E236-K401 WeakPolarHBondContact OE2-CE 3.37Å; E236-K401 IonicContact OE2-NZ 3.26Å; E236-K401 PolarHBondContact OE2-NZ 2.96Å
237F82.6Confident86.9Confident124 Ų12461.7 Ų61.754%0.54435%0.35SS..Hα-helixtrans-63.8-42.5174.8179.8-98.1000113T235 F239 L241T235-F237 PolarHBondContact O-N 3.27Å; T235-F237 VanDerWaalsContact O-N 3.1Å; F237-F239 VanDerWaalsContact C-N 3.28Å; F237-F239 PolarHBondContact O-N 3.37Å; F237-L241 WeakPolarHBondContact O-CB 3.41Å; F237-L241 PolarHBondContact O-N 3.42Å
238K86.3Confident86.8Confident134 Ų13461.9 Ų61.958%0.58335%0.349SS*.Hα-helixtrans-68.9-27.1174.1-75-176.8176.3-176.70111.8Q234 T235 S242Q234-K238 HydrophobicContact CG-CB 3.69Å; Q234-K238 PolarHBondContact NE2-O 3.17Å; T235-K238 CarbonylContact O-C 3.58Å; T235-K238 WeakPolarHBondContact O-CA 3.48Å; T235-K238 WeakPolarHBondContact O-CB 3.47Å; T235-K238 PolarHBondContact O-N 3.18Å; K238-S242 PolarHBondContact O-N 3.11Å
239F89.9Confident86.7Confident1 Ų164.9 Ų64.90%0.00437%0.367CS..Hα-helixtrans-71.7-54.8172.9178.7-105.9000110.8F228 C230 T235 E236 F237 L241 S242 L243 K401F228-F239 HydrophobicContact CB-CE2 3.89Å; F228-F239 HydrophobicContact CB-CZ 4.08Å; C230-F239 HydrophobicContact CB-CD2 3.66Å; C230-F239 HydrophobicContact CB-CE2 3.95Å; C230-F239 HydrophobicContact CB-CG 4.49Å; T235-F239 PolarHBondContact O-N 3.29Å; E236-F239 WeakPolarHBondContact O-CB 3.23Å; E236-F239 PolarHBondContact O-N 2.83Å; F237-F239 VanDerWaalsContact C-N 3.28Å; F237-F239 PolarHBondContact O-N 3.37Å; F239-L241 VanDerWaalsContact C-N 3.32Å; F239-L241 PolarHBondContact O-N 3.37Å; F239-S242 WeakPolarHBondContact O-CB 3.34Å; F239-S242 PolarHBondContact O-N 3.3Å; F239-S242 PolarHBondContact O-OG 3.27Å; F239-L243 HydrophobicContact CE1-CD1 4.03Å; F239-L243 HydrophobicContact CE2-CD2 4.33Å; F239-L243 HydrophobicContact CZ-CD1 4.38Å; F239-L243 HydrophobicContact CZ-CD2 4.11Å; F239-L243 PolarHBondContact O-N 2.82Å; F239-K401 HydrophobicContact CD1-CG 4.37Å; F239-K401 HydrophobicContact CE1-CG 3.88Å; F239-K401 HydrophobicContact CE2-CG 4.08Å; F239-K401 HydrophobicContact CZ-CB 4.48Å; F239-K401 HydrophobicContact CZ-CG 3.73Å
240D89.3Confident86.9Confident9 Ų960.5 Ų60.55%0.04834%0.337CS..Hα-helixtrans-51.4-46.9176.8-18097.7000112.5E236 S242 L243 S265 K360E236-D240 WeakPolarHBondContact O-CB 3.27Å; E236-D240 PolarHBondContact O-N 3.06Å; D240-S242 VanDerWaalsContact C-N 3.28Å; D240-S242 PolarHBondContact O-N 3.3Å; D240-L243 WeakPolarHBondContact O-CB 3.38Å; D240-L243 PolarHBondContact O-N 3.43Å; D240-L243 VanDerWaalsContact O-N 3.12Å; D240-S265 VanDerWaalsContact CG-OG 3.31Å; D240-S265 WeakPolarHBondContact OD1-CB 3.21Å; D240-S265 PolarHBondContact OD1-OG 2.85Å; D240-K360 WeakPolarHBondContact O-CE 3.29Å; D240-K360 PolarHBondContact O-NZ 2.9Å; D240-K360 WeakPolarHBondContact OD1-CE 3.44Å; D240-K360 IonicContact OD1-NZ 3.7Å; D240-K360 VanDerWaalsContact OD2-CE 3.27Å; D240-K360 WeakPolarHBondContact OD2-CE 3.38Å; D240-K360 IonicContact OD2-NZ 3.84Å; D240-K360 PolarHBondContact OD2-NZ 3.22Å
241L89.8Confident87.4Confident60 Ų6059.5 Ų59.531%0.31433%0.33SS..Hα-helixtrans-62.7-33.2178.9-176.263000112.8F237 F239 L243 N244F237-L241 WeakPolarHBondContact O-CB 3.41Å; F237-L241 PolarHBondContact O-N 3.42Å; F239-L241 VanDerWaalsContact C-N 3.32Å; F239-L241 PolarHBondContact O-N 3.37Å; L241-L243 VanDerWaalsContact C-N 3.25Å; L241-L243 PolarHBondContact O-N 3.1Å; L241-N244 WeakPolarHBondContact O-CB 3.24Å; L241-N244 PolarHBondContact O-N 2.85Å
242S91.8Very high87.9Confident42 Ų4264 Ų6429%0.29434%0.344SS..Hα-helixtrans-69-24.3177.7790000112.9K238 F239 D240 N244K238-S242 PolarHBondContact O-N 3.11Å; F239-S242 WeakPolarHBondContact O-CB 3.34Å; F239-S242 PolarHBondContact O-N 3.3Å; F239-S242 PolarHBondContact O-OG 3.27Å; D240-S242 VanDerWaalsContact C-N 3.28Å; D240-S242 PolarHBondContact O-N 3.3Å; S242-N244 VanDerWaalsContact C-N 3.32Å
243L93.1Very high89Confident1 Ų162.9 Ų62.91%0.00532%0.319CS..Hα-helixtrans-74-22.4177.7-53.1-174.9000112.1F228 F239 D240 L241 Y245 K246 M247 K360 M399F228-L243 HydrophobicContact CB-CD2 4.15Å; F228-L243 HydrophobicContact CD1-CD2 4.38Å; F228-L243 HydrophobicContact CD2-CD2 3.94Å; F228-L243 HydrophobicContact CG-CD2 3.88Å; F239-L243 HydrophobicContact CE1-CD1 4.03Å; F239-L243 HydrophobicContact CE2-CD2 4.33Å; F239-L243 HydrophobicContact CZ-CD1 4.38Å; F239-L243 HydrophobicContact CZ-CD2 4.11Å; F239-L243 PolarHBondContact O-N 2.82Å; D240-L243 WeakPolarHBondContact O-CB 3.38Å; D240-L243 PolarHBondContact O-N 3.43Å; D240-L243 VanDerWaalsContact O-N 3.12Å; L241-L243 VanDerWaalsContact C-N 3.25Å; L241-L243 PolarHBondContact O-N 3.1Å; L243-Y245 VanDerWaalsContact C-N 3.32Å; L243-Y245 PolarHBondContact O-N 2.99Å; L243-K246 WeakPolarHBondContact O-CB 3.37Å; L243-K246 PolarHBondContact O-N 3.42Å; L243-M247 PolarHBondContact O-N 3.49Å; L243-K360 HydrophobicContact CB-CD 4.27Å; L243-K360 HydrophobicContact CB-CG 3.85Å; L243-K360 HydrophobicContact CD1-CG 4.08Å; L243-M399 HydrophobicContact CB-CE 4.07Å; L243-M399 HydrophobicContact CD1-CB 4.17Å; L243-M399 HydrophobicContact CD2-CE 4.2Å; L243-M399 HydrophobicContact CG-CE 4.5Å
244N93.3Very high90Very high3 Ų358.2 Ų58.22%0.01629%0.287CS..Hα-helixtrans-54.7-49178-68.814.3000111.1L241 S242 K246 M247 S273 V276 K360L241-N244 WeakPolarHBondContact O-CB 3.24Å; L241-N244 PolarHBondContact O-N 2.85Å; S242-N244 VanDerWaalsContact C-N 3.32Å; N244-K246 PolarHBondContact O-N 3.44Å; N244-M247 WeakPolarHBondContact O-CB 3.48Å; N244-M247 WeakPolarHBondContact O-CG 3.29Å; N244-M247 PolarHBondContact O-N 3.41Å; N244-S273 PolarHBondContact OD1-OG 3.46Å; N244-V276 HydrophobicContact CB-CB 4.35Å; N244-V276 HydrophobicContact CB-CG1 4.23Å; N244-V276 HydrophobicContact CB-CG2 4.32Å; N244-K360 PolarHBondContact OD1-NZ 3.04Å
245Y91.1Very high90.4Very high147 Ų14756.1 Ų56.158%0.57628%0.277SS*.THydrogen-bonded Turntrans-71.64.7179-53.2-73.6000114.1L243 V276L243-Y245 VanDerWaalsContact C-N 3.32Å; L243-Y245 PolarHBondContact O-N 2.99Å; Y245-V276 HydrophobicContact CD1-CG1 4.06Å; Y245-V276 HydrophobicContact CE1-CG1 4.18Å
246K92.8Very high90.5Very high103 Ų10357.4 Ų57.445%0.44828%0.281SS..THydrogen-bonded Turntrans-107.3-15.5171.1-52.2-57.2172.6-167.70112.3F228 L243 N244 A248 N249 I250 M399F228-K246 HydrophobicContact CE1-CB 4.47Å; F228-K246 HydrophobicContact CE1-CG 4.13Å; L243-K246 WeakPolarHBondContact O-CB 3.37Å; L243-K246 PolarHBondContact O-N 3.42Å; N244-K246 PolarHBondContact O-N 3.44Å; K246-A248 PolarHBondContact O-N 2.97Å; K246-N249 PolarHBondContact O-N 3.29Å; K246-I250 WeakPolarHBondContact O-CG1 3.45Å; K246-I250 PolarHBondContact O-N 3.09Å; K246-I250 VanDerWaalsContact O-N 3.11Å; K246-M399 HydrophobicContact CB-CE 3.96Å
247M93.3Very high90.5Very high1 Ų161.6 Ų61.61%0.00530%0.301CS..Hα-helixtrans-53.4-50.1-177-62.6-74.282.800112.7L243 N244 N249 I250 I251 V262 L277 F341 V358 K360 M399L243-M247 PolarHBondContact O-N 3.49Å; N244-M247 WeakPolarHBondContact O-CB 3.48Å; N244-M247 WeakPolarHBondContact O-CG 3.29Å; N244-M247 PolarHBondContact O-N 3.41Å; M247-N249 VanDerWaalsContact C-N 3.32Å; M247-N249 PolarHBondContact O-N 3.05Å; M247-I250 PolarHBondContact O-N 2.91Å; M247-I251 VanDerWaalsContact O-CG1 3.27Å; M247-I251 WeakPolarHBondContact O-CG1 3.48Å; M247-I251 PolarHBondContact O-N 2.99Å; M247-V262 HydrophobicContact SD-CG1 3.86Å; M247-L277 HydrophobicContact CB-CD1 4.23Å; M247-F341 HydrophobicContact CG-CE1 4.26Å; M247-F341 HydrophobicContact CG-CZ 4.43Å; M247-F341 HydrophobicContact SD-CE1 3.85Å; M247-F341 HydrophobicContact SD-CZ 4.43Å; M247-V358 HydrophobicContact CE-CG1 4.19Å; M247-K360 HydrophobicContact CE-CB 4.32Å; M247-K360 HydrophobicContact CE-CD 4.36Å; M247-K360 HydrophobicContact CE-CG 3.86Å; M247-K360 HydrophobicContact SD-CB 4.46Å; M247-K360 HydrophobicContact SD-CD 4.04Å; M247-K360 HydrophobicContact SD-CG 4.11Å; M247-M399 HydrophobicContact CE-CE 3.71Å; M247-M399 HydrophobicContact CE-SD 3.25Å; M247-M399 WeakPolarHBondContact CE-SD 3.41Å
248A91.9Very high90.8Very high32 Ų3258.7 Ų58.726%0.26429%0.288SS..Hα-helixtrans-56.1-44.7-177.500000112.6K246 I251 Q252 L277 D280K246-A248 PolarHBondContact O-N 2.97Å; A248-I251 PolarHBondContact O-N 3.31Å; A248-Q252 VanDerWaalsContact O-CB 3.25Å; A248-Q252 WeakPolarHBondContact O-CB 3.23Å; A248-Q252 PolarHBondContact O-N 3.23Å; A248-L277 HydrophobicContact CB-CD1 3.94Å; A248-D280 HydrophobicContact CB-CB 4.38Å
249N91.8Very high91Very high101 Ų10153 Ų5354%0.5427%0.265SS..Hα-helixtrans-68.4-43179-174-40.6000111.9K246 M247 I251 Q252 T253K246-N249 PolarHBondContact O-N 3.29Å; M247-N249 VanDerWaalsContact C-N 3.32Å; M247-N249 PolarHBondContact O-N 3.05Å; N249-I251 PolarHBondContact O-N 3.46Å; N249-Q252 PolarHBondContact O-N 2.99Å; N249-T253 VanDerWaalsContact O-CB 3.27Å; N249-T253 WeakPolarHBondContact O-CB 3.47Å; N249-T253 PolarHBondContact O-N 3.46Å; N249-T253 PolarHBondContact O-OG1 2.93Å; N249-T253 PolarHBondContact OD1-OG1 2.96Å
250I93.6Very high91.2Very high12 Ų1253 Ų536%0.06227%0.265CS..Hα-helixtrans-60.5-45.7175.6-63.9-55.5000111.2L226 K246 M247 T253 Y254 V358 V397 M399L226-I250 HydrophobicContact CD1-CD1 3.36Å; K246-I250 WeakPolarHBondContact O-CG1 3.45Å; K246-I250 PolarHBondContact O-N 3.09Å; K246-I250 VanDerWaalsContact O-N 3.11Å; M247-I250 PolarHBondContact O-N 2.91Å; I250-T253 PolarHBondContact O-N 3.21Å; I250-Y254 HydrophobicContact CD1-CE2 4.21Å; I250-Y254 HydrophobicContact CG2-CD2 4.09Å; I250-Y254 VanDerWaalsContact O-CD2 3.3Å; I250-Y254 WeakPolarHBondContact O-CD2 3.48Å; I250-Y254 PolarHBondContact O-N 3.3Å; I250-Y254 VanDerWaalsContact O-N 3.1Å; I250-V358 HydrophobicContact CG2-CG1 4.26Å; I250-V358 HydrophobicContact CG2-CG2 3.9Å; I250-V397 HydrophobicContact CG2-CB 4.4Å; I250-V397 HydrophobicContact CG2-CG1 4.11Å; I250-V397 HydrophobicContact CG2-CG2 4.37Å; I250-M399 HydrophobicContact CG1-CE 4.07Å; I250-M399 HydrophobicContact CG1-SD 4.1Å
251I92.9Very high91.5Very high11 Ų1152.6 Ų52.66%0.05626%0.263CS..Hα-helixtrans-66.3-45.1179.1-63.1174.1000110.1M247 A248 N249 T253 Y254 S255 T260 L277 V339 L356M247-I251 VanDerWaalsContact O-CG1 3.27Å; M247-I251 WeakPolarHBondContact O-CG1 3.48Å; M247-I251 PolarHBondContact O-N 2.99Å; A248-I251 PolarHBondContact O-N 3.31Å; N249-I251 PolarHBondContact O-N 3.46Å; I251-T253 VanDerWaalsContact C-N 3.26Å; I251-T253 PolarHBondContact O-N 2.83Å; I251-Y254 PolarHBondContact O-N 3.13Å; I251-S255 WeakPolarHBondContact O-CB 3.48Å; I251-S255 PolarHBondContact O-N 3.37Å; I251-S255 PolarHBondContact O-OG 3.33Å; I251-T260 HydrophobicContact CD1-CG2 4.35Å; I251-T260 HydrophobicContact CG1-CG2 4.15Å; I251-L277 HydrophobicContact CD1-CD1 4.06Å; I251-L277 HydrophobicContact CD1-CD2 3.52Å; I251-L277 HydrophobicContact CD1-CG 4.47Å; I251-V339 HydrophobicContact CD1-CG1 4.05Å; I251-V339 HydrophobicContact CD1-CG2 4.39Å; I251-L356 HydrophobicContact CG1-CD2 4.46Å
252Q90.8Very high91.8Very high155 Ų15549.8 Ų49.872%0.72425%0.248SC*.Hα-helixtrans-60.9-33176.3-173.1176.96.900113.1A248 N249A248-Q252 VanDerWaalsContact O-CB 3.25Å; A248-Q252 WeakPolarHBondContact O-CB 3.23Å; A248-Q252 PolarHBondContact O-N 3.23Å; N249-Q252 PolarHBondContact O-N 2.99Å
253T93.3Very high92Very high70 Ų7047.8 Ų47.843%0.42923%0.234SC..Hα-helixtrans-83.4-26-176.8-58.30000113.8N249 I250 I251N249-T253 VanDerWaalsContact O-CB 3.27Å; N249-T253 WeakPolarHBondContact O-CB 3.47Å; N249-T253 PolarHBondContact O-N 3.46Å; N249-T253 PolarHBondContact O-OG1 2.93Å; N249-T253 PolarHBondContact OD1-OG1 2.96Å; I250-T253 PolarHBondContact O-N 3.21Å; I251-T253 VanDerWaalsContact C-N 3.26Å; I251-T253 PolarHBondContact O-N 2.83Å
254Y93.7Very high92Very high33 Ų3347.8 Ų47.813%0.12923%0.234CC..Hα-helixtrans-132.4-0.3-167.1-60.2-67000116.1V224 L226 I250 I251 T395 V397V224-Y254 HydrophobicContact CG2-CE1 4.26Å; L226-Y254 HydrophobicContact CD1-CE2 4.33Å; I250-Y254 HydrophobicContact CD1-CE2 4.21Å; I250-Y254 HydrophobicContact CG2-CD2 4.09Å; I250-Y254 VanDerWaalsContact O-CD2 3.3Å; I250-Y254 WeakPolarHBondContact O-CD2 3.48Å; I250-Y254 PolarHBondContact O-N 3.3Å; I250-Y254 VanDerWaalsContact O-N 3.1Å; I251-Y254 PolarHBondContact O-N 3.13Å; Y254-T395 HydrophobicContact CD1-CG2 3.98Å; Y254-T395 HydrophobicContact CG-CG2 4.19Å; Y254-V397 HydrophobicContact CD2-CG2 3.74Å; Y254-V397 HydrophobicContact CE2-CG2 4.2Å; Y254-V397 HydrophobicContact CG-CG2 3.99Å
255S88.4Confident91.8Very high5 Ų548.5 Ų48.54%0.03524%0.239CC..SBendtrans-90.4-19.7-177.264.80000115.2I251 Q257 K258 T260 H355I251-S255 WeakPolarHBondContact O-CB 3.48Å; I251-S255 PolarHBondContact O-N 3.37Å; I251-S255 PolarHBondContact O-OG 3.33Å; S255-Q257 PolarHBondContact O-N 2.8Å; S255-Q257 PolarHBondContact OG-N 3.36Å; S255-K258 VanDerWaalsContact O-CB 3.31Å; S255-K258 WeakPolarHBondContact O-CB 3.43Å; S255-K258 PolarHBondContact O-N 2.8Å; S255-T260 WeakPolarHBondContact CB-OG1 3.28Å; S255-H355 PolarHBondContact O-CD2 3.07Å; S255-H355 VanDerWaalsContact O-CD2 3.32Å
256D86Confident91.6Very high107 Ų10743.5 Ų43.557%0.57222%0.224SC*.THydrogen-bonded Turntrans47.931.5-169.7-62.8-8000113.7K258 H355D256-K258 VanDerWaalsContact C-N 3.27Å; D256-K258 HydrophobicContact CB-CD 4.42Å; D256-K258 PolarHBondContact O-N 3.5Å; D256-H355 IonicContact OD2-NE2 2.85Å
257Q84.1Confident91.3Very high143 Ų14343 Ų4367%0.66822%0.219SC*.THydrogen-bonded Turntrans6125.8-173.1-56.2-66.3-24.800114.9S255S255-Q257 PolarHBondContact O-N 2.8Å; S255-Q257 PolarHBondContact OG-N 3.36Å
258K88.8Confident90.9Very high63 Ų6349.5 Ų49.527%0.27425%0.248SC..SBendtrans-107.9165.1179.8-64.3169.8174-176.70112.7S255 D256 T260 H355 D391S255-K258 VanDerWaalsContact O-CB 3.31Å; S255-K258 WeakPolarHBondContact O-CB 3.43Å; S255-K258 PolarHBondContact O-N 2.8Å; D256-K258 VanDerWaalsContact C-N 3.27Å; D256-K258 HydrophobicContact CB-CD 4.42Å; D256-K258 PolarHBondContact O-N 3.5Å; K258-T260 PolarHBondContact O-N 3.35Å; K258-T260 PolarHBondContact O-OG1 3.06Å; K258-H355 HydrophobicContact CB-CB 3.45Å; K258-H355 VanDerWaalsContact CB-CB 3.45Å; K258-H355 HydrophobicContact CD-CB 3.84Å; K258-H355 WeakPolarHBondContact CD-ND1 3.41Å; K258-H355 HydrophobicContact CG-CB 4.33Å; K258-D391 WeakPolarHBondContact CD-OD1 3.02Å; K258-D391 WeakPolarHBondContact CE-OD1 3.39Å; K258-D391 IonicContact NZ-OD1 3.26Å; K258-D391 PolarHBondContact NZ-OD1 2.63Å
259P91.6Very high90.8Very high15 Ų1548 Ų4810%0.09724%0.236CC..  trans-53131.4-177.8-3037.3000113.8F332 P338 H355 L356P259-F332 HydrophobicContact CB-CE2 4.07Å; P259-F332 HydrophobicContact CB-CZ 4.07Å; P259-P338 WeakPolarHBondContact CA-O 3.4Å; P259-H355 PolarHBondContact O-N 3.18Å; P259-L356 PolarHBondContact O-N 3.22Å
260T94.5Very high90.9Very high1 Ų143.2 Ų43.21%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-122.6128.6-172.9-640000111.3I251 S255 K258 V262 F332 P338 V339 L340 L356I251-T260 HydrophobicContact CD1-CG2 4.35Å; I251-T260 HydrophobicContact CG1-CG2 4.15Å; S255-T260 WeakPolarHBondContact CB-OG1 3.28Å; K258-T260 PolarHBondContact O-N 3.35Å; K258-T260 PolarHBondContact O-OG1 3.06Å; T260-V262 HydrophobicContact CG2-CG2 3.99Å; T260-F332 WeakPolarHBondContact O-CE2 3.37Å; T260-P338 PolarHBondContact N-O 2.76Å; T260-V339 HydrophobicContact CG2-CG1 4.4Å; T260-V339 WeakPolarHBondContact O-CA 3.17Å; T260-L340 PolarHBondContact O-N 2.8Å; T260-L356 CarbonylContact C-O 3.56Å; T260-L356 WeakPolarHBondContact CA-O 3.48Å; T260-L356 HydrophobicContact CG2-CB 4.1Å; T260-L356 HydrophobicContact CG2-CD2 3.7Å; T260-L356 HydrophobicContact CG2-CG 3.85Å
261L95.6Very high90.9Very high0 Ų045.6 Ų45.60%022%0.221CC..EExtended strand (participates in β ladder)trans-111.6120.8177.9-171.865.9000110.4F263 F332 L340 T342 A354 L356 V357 V358 R384L261-F263 HydrophobicContact CD2-CE2 3.72Å; L261-F263 HydrophobicContact CD2-CZ 3.62Å; L261-F263 HydrophobicContact CG-CE2 4.05Å; L261-F263 HydrophobicContact CG-CZ 4.18Å; L261-F332 HydrophobicContact CB-CE1 4.43Å; L261-F332 HydrophobicContact CB-CZ 4.02Å; L261-F332 HydrophobicContact CD1-CE1 4.35Å; L261-F332 HydrophobicContact CD1-CZ 4.33Å; L261-L340 HydrophobicContact CD1-CB 4.02Å; L261-L340 HydrophobicContact CD1-CD2 3.99Å; L261-L340 HydrophobicContact CD1-CG 3.93Å; L261-T342 HydrophobicContact CD1-CG2 3.64Å; L261-T342 HydrophobicContact CG-CG2 4.03Å; L261-A354 HydrophobicContact CB-CB 3.71Å; L261-L356 PolarHBondContact N-O 2.89Å; L261-V357 WeakPolarHBondContact O-CA 3.15Å; L261-V358 PolarHBondContact O-N 3.22Å; L261-R384 HydrophobicContact CD2-CB 4.04Å; L261-R384 HydrophobicContact CD2-CG 4.23Å
262V96.4Very high90.9Very high0 Ų048.3 Ų48.30%023%0.233CC..EExtended strand (participates in β ladder)trans-113.4108.1-176.3-173.80000110.8M247 T260 V339 L340 F341 T342 V358 K360M247-V262 HydrophobicContact SD-CG1 3.86Å; T260-V262 HydrophobicContact CG2-CG2 3.99Å; V262-V339 HydrophobicContact CG2-CG1 4.26Å; V262-L340 PolarHBondContact N-O 3.42Å; V262-F341 HydrophobicContact CB-CD1 3.61Å; V262-F341 HydrophobicContact CB-CE1 3.8Å; V262-F341 HydrophobicContact CB-CG 4.22Å; V262-F341 HydrophobicContact CG1-CD1 3.65Å; V262-F341 HydrophobicContact CG1-CE1 3.64Å; V262-F341 HydrophobicContact CG2-CD1 4.22Å; V262-F341 HydrophobicContact CG2-CE1 3.99Å; V262-F341 HydrophobicContact CG2-CZ 4.3Å; V262-F341 CarbonylContact O-C 3.59Å; V262-F341 WeakPolarHBondContact O-CA 3.41Å; V262-T342 PolarHBondContact O-N 3.27Å; V262-V358 CarbonylContact C-O 3.58Å; V262-V358 WeakPolarHBondContact CA-O 3.36Å; V262-V358 HydrophobicContact CG1-CB 4.18Å; V262-V358 HydrophobicContact CG1-CG1 4.43Å; V262-V358 HydrophobicContact CG2-CB 4.22Å; V262-V358 HydrophobicContact CG2-CG2 4.46Å; V262-K360 HydrophobicContact CG1-CB 4.14Å
263F95.6Very high91.1Very high0 Ų041 Ų410%020%0.199CC..EExtended strand (participates in β ladder)trans-77.7130.8173.9-70-78.6000111.3L261 T342 A347 V357 V358 I359 K360 M381 R384L261-F263 HydrophobicContact CD2-CE2 3.72Å; L261-F263 HydrophobicContact CD2-CZ 3.62Å; L261-F263 HydrophobicContact CG-CE2 4.05Å; L261-F263 HydrophobicContact CG-CZ 4.18Å; F263-T342 CarbonylContact C-O 3.55Å; F263-T342 WeakPolarHBondContact CA-O 3.36Å; F263-T342 HydrophobicContact CD1-CG2 3.53Å; F263-T342 HydrophobicContact CE1-CG2 3.5Å; F263-T342 VanDerWaalsContact CE1-CG2 3.5Å; F263-T342 HydrophobicContact CG-CG2 4.15Å; F263-T342 HydrophobicContact CZ-CG2 4.13Å; F263-A347 HydrophobicContact CE1-CB 3.84Å; F263-A347 HydrophobicContact CZ-CB 4.21Å; F263-V357 HydrophobicContact CD2-CG1 3.8Å; F263-V357 HydrophobicContact CE2-CG1 3.85Å; F263-V358 PolarHBondContact N-O 3.44Å; F263-I359 HydrophobicContact CB-CG1 4.47Å; F263-K360 WeakPolarHBondContact O-CB 3.24Å; F263-K360 PolarHBondContact O-N 3.38Å; F263-M381 HydrophobicContact CB-CE 4.35Å; F263-M381 HydrophobicContact CB-CG 4.38Å; F263-M381 HydrophobicContact CB-SD 3.63Å; F263-M381 HydrophobicContact CD1-CE 4.04Å; F263-M381 HydrophobicContact CD1-CG 3.69Å; F263-M381 HydrophobicContact CD1-SD 3.86Å; F263-M381 HydrophobicContact CD2-CB 3.65Å; F263-M381 HydrophobicContact CD2-CG 3.67Å; F263-M381 HydrophobicContact CD2-SD 4.01Å; F263-M381 HydrophobicContact CE1-CG 3.82Å; F263-M381 HydrophobicContact CE2-CB 3.61Å; F263-M381 HydrophobicContact CE2-CG 3.78Å; F263-M381 HydrophobicContact CG-CB 4.14Å; F263-M381 HydrophobicContact CG-CE 4.28Å; F263-M381 HydrophobicContact CG-CG 3.63Å; F263-M381 HydrophobicContact CG-SD 3.54Å; F263-M381 VanDerWaalsContact CG-SD 3.54Å; F263-M381 HydrophobicContact CZ-CB 4.09Å; F263-M381 HydrophobicContact CZ-CG 3.86Å; F263-R384 HydrophobicContact CE2-CG 4.5Å; F263-R384 HydrophobicContact CZ-CG 4.24Å
264C93.7Very high91.2Very high1 Ų137.6 Ų37.61%0.00718%0.178CC..EExtended strand (participates in β ladder)trans-124.3145.9-176.3-670000112.4T266 A270 T342 Y373C264-T266 VanDerWaalsContact C-N 3.32Å; C264-T266 PolarHBondContact O-N 3.24Å; C264-A270 HydrophobicContact CB-CB 4.04Å; C264-T342 PolarHBondContact N-O 2.93Å; C264-Y373 PolarHBondContact O-OH 2.84Å
265S87.9Confident91.2Very high19 Ų1938 Ų3813%0.13319%0.188CC..SBendtrans-57.6-31.8-179.959.90000115.6D240 M363 Y365 Y373D240-S265 VanDerWaalsContact CG-OG 3.31Å; D240-S265 WeakPolarHBondContact OD1-CB 3.21Å; D240-S265 PolarHBondContact OD1-OG 2.85Å; S265-M363 VanDerWaalsContact CB-O 3.23Å; S265-M363 WeakPolarHBondContact CB-O 3.24Å; S265-Y365 PolarHBondContact O-N 3.25Å; S265-Y373 WeakPolarHBondContact CA-OH 3.43Å
266T86.8Confident91.5Very high42 Ų4238.9 Ų38.926%0.25819%0.194SC..SBendtrans-146.1159.3-173.4660000113.2C264 G269 A270C264-T266 VanDerWaalsContact C-N 3.32Å; C264-T266 PolarHBondContact O-N 3.24Å; T266-G269 PolarHBondContact O-N 3.45Å; T266-G269 WeakPolarHBondContact OG1-CA 3.3Å; T266-G269 PolarHBondContact OG1-N 3.44Å; T266-A270 PolarHBondContact O-N 2.93Å
267R85.9Confident91.9Very high92 Ų9234 Ų3435%0.34717%0.167SC..Hα-helixtrans-56.8-55.6176.3-58.5-176.3-172.5145.52.4111.7G269 A270 Q271 H317 T343R267-G269 VanDerWaalsContact C-N 3.29Å; R267-G269 PolarHBondContact O-N 3.07Å; R267-A270 WeakPolarHBondContact O-CB 3.42Å; R267-A270 PolarHBondContact O-N 3.45Å; R267-Q271 PolarHBondContact O-N 3.32Å; R267-H317 HydrophobicContact CB-CB 4.37Å; R267-H317 HydrophobicContact CG-CB 4.07Å; R267-H317 PolarHBondContact O-CD2 3.16Å; R267-T343 HydrophobicContact CG-CG2 4.38Å
268K86.4Confident92.2Very high138 Ų13827.4 Ų27.460%0.614%0.138SC*.Hα-helixtrans-62.5-35.1176.7-170.2171.2-177.11720112Q271 Q272K268-Q271 PolarHBondContact O-N 3.43Å; K268-Q272 HydrophobicContact CG-CG 4.28Å; K268-Q272 WeakPolarHBondContact O-CB 3.35Å; K268-Q272 VanDerWaalsContact O-CG 3.28Å; K268-Q272 WeakPolarHBondContact O-CG 3.29Å; K268-Q272 PolarHBondContact O-N 3.26Å
269G89.8Confident92.2Very high1 Ų132.1 Ų32.11%0.0116%0.158CC..Hα-helixtrans-61.3-40.8173.800000113.1T266 R267 S273T266-G269 PolarHBondContact O-N 3.45Å; T266-G269 WeakPolarHBondContact OG1-CA 3.3Å; T266-G269 PolarHBondContact OG1-N 3.44Å; R267-G269 VanDerWaalsContact C-N 3.29Å; R267-G269 PolarHBondContact O-N 3.07Å; G269-S273 VanDerWaalsContact O-CB 3.31Å; G269-S273 WeakPolarHBondContact O-CB 3.42Å; G269-S273 PolarHBondContact O-N 2.88Å; G269-S273 PolarHBondContact O-OG 3.48Å
270A92.9Very high91.7Very high0 Ų036 Ų360%018%0.178CC..Hα-helixtrans-62.4-50.3174.400000111.5C264 T266 R267 Q272 S273 A274 F341C264-A270 HydrophobicContact CB-CB 4.04Å; T266-A270 PolarHBondContact O-N 2.93Å; R267-A270 WeakPolarHBondContact O-CB 3.42Å; R267-A270 PolarHBondContact O-N 3.45Å; A270-Q272 PolarHBondContact O-N 2.85Å; A270-S273 PolarHBondContact O-N 2.77Å; A270-A274 WeakPolarHBondContact O-CB 3.38Å; A270-A274 PolarHBondContact O-N 2.83Å; A270-F341 HydrophobicContact CB-CB 4.27Å
271Q93.8Very high90.7Very high62 Ų6236.9 Ų36.929%0.2919%0.185SC..Hα-helixtrans-57.5-46.2176.4-64179.5-42.500112.3R267 K268 A274 A275 Y315 H317R267-Q271 PolarHBondContact O-N 3.32Å; K268-Q271 PolarHBondContact O-N 3.43Å; Q271-A274 PolarHBondContact O-N 3.4Å; Q271-A275 WeakPolarHBondContact O-CB 3.35Å; Q271-A275 PolarHBondContact O-N 3.09Å; Q271-Y315 HydrophobicContact CB-CD1 4.22Å; Q271-Y315 HydrophobicContact CB-CE1 4.21Å; Q271-Y315 HydrophobicContact CG-CD1 3.95Å; Q271-Y315 HydrophobicContact CG-CD2 3.95Å; Q271-Y315 HydrophobicContact CG-CE1 3.88Å; Q271-Y315 HydrophobicContact CG-CE2 3.93Å; Q271-Y315 HydrophobicContact CG-CG 3.98Å; Q271-H317 PolarHBondContact NE2-NE2 3.35Å
272Q93.6Very high89.7Confident68 Ų6845.6 Ų45.632%0.31822%0.218SC..Hα-helixtrans-67.4-35.5178.8-73.9178.4-46.200112.7K268 A270 V276K268-Q272 HydrophobicContact CG-CG 4.28Å; K268-Q272 WeakPolarHBondContact O-CB 3.35Å; K268-Q272 VanDerWaalsContact O-CG 3.28Å; K268-Q272 WeakPolarHBondContact O-CG 3.29Å; K268-Q272 PolarHBondContact O-N 3.26Å; A270-Q272 PolarHBondContact O-N 2.85Å; Q272-V276 WeakPolarHBondContact O-CG2 3.44Å; Q272-V276 PolarHBondContact O-N 3.45Å
273S94.6Very high88.9Confident0 Ų047.5 Ų47.50%023%0.226CC..Hα-helixtrans-69.9-41.7177.9-51.90000111N244 G269 A270 V276 L277 F341 K360N244-S273 PolarHBondContact OD1-OG 3.46Å; G269-S273 VanDerWaalsContact O-CB 3.31Å; G269-S273 WeakPolarHBondContact O-CB 3.42Å; G269-S273 PolarHBondContact O-N 2.88Å; G269-S273 PolarHBondContact O-OG 3.48Å; A270-S273 PolarHBondContact O-N 2.77Å; S273-V276 PolarHBondContact O-N 3.43Å; S273-L277 PolarHBondContact O-N 3.17Å; S273-F341 VanDerWaalsContact CB-CD1 3.45Å; S273-K360 PolarHBondContact OG-NZ 2.87Å
274A95.2Very high87.9Confident0 Ų055.3 Ų55.30%027%0.266CS..Hα-helixtrans-60.3-46.7172.700000112.2A270 Q271 V276 L277 A278 L308 V313 Y315 F341A270-A274 WeakPolarHBondContact O-CB 3.38Å; A270-A274 PolarHBondContact O-N 2.83Å; Q271-A274 PolarHBondContact O-N 3.4Å; A274-V276 VanDerWaalsContact C-N 3.32Å; A274-V276 PolarHBondContact O-N 3.21Å; A274-L277 PolarHBondContact O-N 3.22Å; A274-A278 WeakPolarHBondContact O-CB 3.48Å; A274-A278 PolarHBondContact O-N 3.47Å; A274-L308 HydrophobicContact CB-CD1 4.07Å; A274-V313 HydrophobicContact CB-CG1 3.77Å; A274-Y315 HydrophobicContact CB-CD1 4.24Å; A274-F341 HydrophobicContact CB-CB 4.33Å; A274-F341 HydrophobicContact CB-CD2 3.59Å; A274-F341 HydrophobicContact CB-CE2 4.13Å; A274-F341 HydrophobicContact CB-CG 4.08Å
275A94.3Very high87.3Confident41 Ų4156.4 Ų56.434%0.33927%0.272SS..Hα-helixtrans-69.3-24.1179.900000114.4Q271Q271-A275 WeakPolarHBondContact O-CB 3.35Å; Q271-A275 PolarHBondContact O-N 3.09Å
276V94.4Very high87.1Confident24 Ų2458.6 Ų58.615%0.14529%0.287CS..Hα-helixtrans-75.6-49.8168.4169.70000110.1N244 Y245 Q272 S273 A274 A278 K279 D280N244-V276 HydrophobicContact CB-CB 4.35Å; N244-V276 HydrophobicContact CB-CG1 4.23Å; N244-V276 HydrophobicContact CB-CG2 4.32Å; Y245-V276 HydrophobicContact CD1-CG1 4.06Å; Y245-V276 HydrophobicContact CE1-CG1 4.18Å; Q272-V276 WeakPolarHBondContact O-CG2 3.44Å; Q272-V276 PolarHBondContact O-N 3.45Å; S273-V276 PolarHBondContact O-N 3.43Å; A274-V276 VanDerWaalsContact C-N 3.32Å; A274-V276 PolarHBondContact O-N 3.21Å; V276-A278 VanDerWaalsContact C-N 3.3Å; V276-A278 PolarHBondContact O-N 3.28Å; V276-K279 WeakPolarHBondContact O-CB 3.49Å; V276-K279 PolarHBondContact O-N 2.88Å; V276-D280 PolarHBondContact O-N 2.76Å
277L93.8Very high87Confident3 Ų364.1 Ų64.12%0.01631%0.308CS..Hα-helixtrans-59.4-39.7-179-172.769.8000112.5M247 A248 I251 S273 A274 K279 D280 A281 F283 V313 V339 F341M247-L277 HydrophobicContact CB-CD1 4.23Å; A248-L277 HydrophobicContact CB-CD1 3.94Å; I251-L277 HydrophobicContact CD1-CD1 4.06Å; I251-L277 HydrophobicContact CD1-CD2 3.52Å; I251-L277 HydrophobicContact CD1-CG 4.47Å; S273-L277 PolarHBondContact O-N 3.17Å; A274-L277 PolarHBondContact O-N 3.22Å; L277-K279 PolarHBondContact O-N 3.34Å; L277-D280 PolarHBondContact O-N 2.84Å; L277-A281 HydrophobicContact CD1-CB 3.92Å; L277-A281 HydrophobicContact CG-CB 4.08Å; L277-A281 VanDerWaalsContact O-CB 3.24Å; L277-A281 WeakPolarHBondContact O-CB 3.27Å; L277-A281 PolarHBondContact O-N 3.03Å; L277-F283 HydrophobicContact CD2-CZ 4.06Å; L277-F283 HydrophobicContact CG-CZ 4.46Å; L277-V313 HydrophobicContact CD2-CG2 4.36Å; L277-V339 HydrophobicContact CD2-CB 4.18Å; L277-V339 HydrophobicContact CD2-CG1 3.79Å; L277-V339 HydrophobicContact CD2-CG2 4.15Å; L277-F341 HydrophobicContact CB-CE2 4.06Å; L277-F341 HydrophobicContact CB-CZ 3.98Å; L277-F341 HydrophobicContact CD2-CE2 3.63Å; L277-F341 HydrophobicContact CD2-CZ 3.78Å; L277-F341 HydrophobicContact CG-CE2 4.49Å; L277-F341 HydrophobicContact CG-CZ 4.48Å
278A91.4Very high87Confident6 Ų666.2 Ų66.25%0.0532%0.322CS..Hα-helixtrans-66.6-16.6179.100000114.3A274 V276 R282 L308 L311 V313A274-A278 WeakPolarHBondContact O-CB 3.48Å; A274-A278 PolarHBondContact O-N 3.47Å; V276-A278 VanDerWaalsContact C-N 3.3Å; V276-A278 PolarHBondContact O-N 3.28Å; A278-R282 PolarHBondContact O-NH1 3.31Å; A278-L308 HydrophobicContact CB-CD2 3.46Å; A278-L308 VanDerWaalsContact CB-CD2 3.46Å; A278-L311 HydrophobicContact CB-CB 4.46Å; A278-L311 HydrophobicContact CB-CD1 3.94Å; A278-V313 HydrophobicContact CB-CG2 4.28Å
279K88.8Confident87Confident162 Ų16261.3 Ų61.370%0.70430%0.301SS*.Hα-helixtrans-83.1-49.8170.2-67.2179.2-178.2-172.50111V276 L277 R282V276-K279 WeakPolarHBondContact O-CB 3.49Å; V276-K279 PolarHBondContact O-N 2.88Å; L277-K279 PolarHBondContact O-N 3.34Å; K279-R282 PolarHBondContact O-NH1 3.48Å
280D79.9Confident86.8Confident97 Ų9766.8 Ų66.852%0.51932%0.324SS..Hα-helixtrans-79.8-26.9-170.5-61.1-8.3000113.2A248 V276 L277A248-D280 HydrophobicContact CB-CB 4.38Å; V276-D280 PolarHBondContact O-N 2.76Å; L277-D280 PolarHBondContact O-N 2.84Å
281A74.5Confident86.6Confident19 Ų1971.3 Ų71.316%0.15735%0.345CS..  trans-104.4150.5-177.100000113.4L277 F283L277-A281 HydrophobicContact CD1-CB 3.92Å; L277-A281 HydrophobicContact CG-CB 4.08Å; L277-A281 VanDerWaalsContact O-CB 3.24Å; L277-A281 WeakPolarHBondContact O-CB 3.27Å; L277-A281 PolarHBondContact O-N 3.03Å; A281-F283 HydrophobicContact CB-CE2 3.99Å; A281-F283 HydrophobicContact CB-CZ 3.97Å
282R74.5Confident86.5Confident183 Ų18373 Ų7369%0.69135%0.349SS*.  trans-134.3103.2170.1-69-68.6176.6-96.34.1108.7A278 K279A278-R282 PolarHBondContact O-NH1 3.31Å; K279-R282 PolarHBondContact O-NH1 3.48Å
283F78.4Confident86.3Confident39 Ų3969.9 Ų69.917%0.17134%0.335CS..  trans-73.6137.1177.9-57.4-81.2000110.5L277 A281 M285 L311 V313 P338 V339L277-F283 HydrophobicContact CD2-CZ 4.06Å; L277-F283 HydrophobicContact CG-CZ 4.46Å; A281-F283 HydrophobicContact CB-CE2 3.99Å; A281-F283 HydrophobicContact CB-CZ 3.97Å; F283-M285 HydrophobicContact CB-CG 3.85Å; F283-M285 HydrophobicContact CB-SD 4.09Å; F283-M285 PolarHBondContact O-N 3.33Å; F283-L311 WeakPolarHBondContact CD2-O 3.47Å; F283-V313 HydrophobicContact CD2-CG2 4.48Å; F283-V313 HydrophobicContact CE2-CG2 3.59Å; F283-V313 HydrophobicContact CZ-CG2 4.25Å; F283-P338 HydrophobicContact CD1-CB 4.08Å; F283-P338 HydrophobicContact CE1-CB 4.42Å; F283-P338 HydrophobicContact CG-CB 4.37Å; F283-V339 HydrophobicContact CE1-CG2 3.59Å; F283-V339 HydrophobicContact CE2-CG2 4.49Å; F283-V339 HydrophobicContact CZ-CB 4.44Å; F283-V339 HydrophobicContact CZ-CG2 3.51Å
284I76Confident86.1Confident164 Ų16474.7 Ų74.784%0.84136%0.358SS*.  trans-82.5108.1174.1-58.7176000107
285M80.1Confident86Confident25 Ų2581.4 Ų81.412%0.12339%0.387CS..  trans-129.2135.5-174.4-44.9-172.576.900109.9F283 H289 K290 L293 P338F283-M285 HydrophobicContact CB-CG 3.85Å; F283-M285 HydrophobicContact CB-SD 4.09Å; F283-M285 PolarHBondContact O-N 3.33Å; M285-H289 WeakPolarHBondContact CE-CE1 3.32Å; M285-H289 VanDerWaalsContact CE-NE2 3.34Å; M285-H289 WeakPolarHBondContact CE-NE2 3.46Å; M285-K290 HydrophobicContact CB-CG 3.97Å; M285-L293 HydrophobicContact CE-CD1 3.4Å; M285-L293 HydrophobicContact SD-CD1 4.2Å; M285-P338 HydrophobicContact CE-CG 3.43Å; M285-P338 VanDerWaalsContact CE-CG 3.43Å; M285-P338 HydrophobicContact SD-CG 4.27Å
286S83.8Confident85.9Confident64 Ų6481 Ų8145%0.44838%0.377SS..  trans-67.2162.1178.180.10000111.6E288 H289 K290S286-E288 VanDerWaalsContact C-N 3.31Å; S286-E288 PolarHBondContact O-N 3.04Å; S286-H289 WeakPolarHBondContact O-CB 3.29Å; S286-H289 PolarHBondContact O-N 3Å; S286-H289 WeakPolarHBondContact OG-CB 3.29Å; S286-H289 PolarHBondContact OG-N 3.43Å; S286-K290 WeakPolarHBondContact O-CG 3.5Å; S286-K290 PolarHBondContact O-N 3.32Å
287F85.6Confident85.7Confident159 Ų15979.9 Ų79.970%0.69737%0.37SS*.Hα-helixtrans-59.3-42.2177.7-179.7-115.6000112.1K290 Q291F287-K290 PolarHBondContact O-N 3.02Å; F287-Q291 PolarHBondContact O-N 2.82Å
288E86.1Confident85.6Confident136 Ų13685 Ų8564%0.63640%0.398SS*.Hα-helixtrans-63.5-42.3175.5-60.3178172.800112.3S286 Q291 R292S286-E288 VanDerWaalsContact C-N 3.31Å; S286-E288 PolarHBondContact O-N 3.04Å; E288-Q291 WeakPolarHBondContact O-CB 3.31Å; E288-Q291 PolarHBondContact O-N 2.83Å; E288-Q291 VanDerWaalsContact O-N 3.17Å; E288-R292 PolarHBondContact O-N 3.04Å
289H85.6Confident85.7Confident34 Ų3488.1 Ų88.116%0.15742%0.419CS..Hα-helixtrans-62.7-43.4178.4-170.4-179.8000111.1M285 S286 Q291 R292 L293 D336M285-H289 WeakPolarHBondContact CE-CE1 3.32Å; M285-H289 VanDerWaalsContact CE-NE2 3.34Å; M285-H289 WeakPolarHBondContact CE-NE2 3.46Å; S286-H289 WeakPolarHBondContact O-CB 3.29Å; S286-H289 PolarHBondContact O-N 3Å; S286-H289 WeakPolarHBondContact OG-CB 3.29Å; S286-H289 PolarHBondContact OG-N 3.43Å; H289-Q291 PolarHBondContact O-N 3.47Å; H289-R292 PolarHBondContact O-N 3.48Å; H289-L293 PolarHBondContact O-N 2.59Å; H289-D336 IonicContact CD2-OD1 2.7Å; H289-D336 PolarHBondContact CD2-OD1 3.07Å; H289-D336 WeakPolarHBondContact NE2-CA 3.45Å; H289-D336 PolarHBondContact NE2-O 3.28Å; H289-D336 IonicContact NE2-OD1 2.71Å
290K86.3Confident85.9Confident117 Ų11781 Ų8151%0.50939%0.389SS..Hα-helixtrans-62.3-39.5171.9-69.2-176.1-179.2-173.40112.5M285 S286 F287 M294M285-K290 HydrophobicContact CB-CG 3.97Å; S286-K290 WeakPolarHBondContact O-CG 3.5Å; S286-K290 PolarHBondContact O-N 3.32Å; F287-K290 PolarHBondContact O-N 3.02Å; K290-M294 WeakPolarHBondContact O-CB 3.27Å; K290-M294 PolarHBondContact O-N 2.9Å
291Q89.1Confident86.3Confident95 Ų9582.4 Ų82.444%0.44440%0.396SS..Hα-helixtrans-63.6-39174.6-75-166.615.300112.9F287 E288 H289 M294 K295F287-Q291 PolarHBondContact O-N 2.82Å; E288-Q291 WeakPolarHBondContact O-CB 3.31Å; E288-Q291 PolarHBondContact O-N 2.83Å; E288-Q291 VanDerWaalsContact O-N 3.17Å; H289-Q291 PolarHBondContact O-N 3.47Å; Q291-M294 PolarHBondContact O-N 3.25Å; Q291-K295 WeakPolarHBondContact O-CG 3.29Å; Q291-K295 PolarHBondContact O-N 3.25Å
292R90.8Very high87Confident97 Ų9783.6 Ų83.637%0.36640%0.399SS..Hα-helixtrans-66-48.6176.8-66.2-170.2-55.6-94.30.4111.4E288 H289 M294 K295 Y296 D336E288-R292 PolarHBondContact O-N 3.04Å; H289-R292 PolarHBondContact O-N 3.48Å; R292-M294 VanDerWaalsContact C-N 3.26Å; R292-M294 PolarHBondContact O-N 3.03Å; R292-K295 WeakPolarHBondContact O-CB 3.48Å; R292-K295 PolarHBondContact O-N 3.5Å; R292-Y296 VanDerWaalsContact O-CD2 3.27Å; R292-Y296 WeakPolarHBondContact O-CD2 3.25Å; R292-Y296 PolarHBondContact O-N 3.05Å; R292-D336 WeakPolarHBondContact CB-OD2 3.36Å; R292-D336 VanDerWaalsContact CD-OD2 3.27Å; R292-D336 WeakPolarHBondContact CD-OD2 3.32Å; R292-D336 IonicContact CZ-OD1 3.22Å; R292-D336 IonicContact CZ-OD2 2.86Å; R292-D336 VanDerWaalsContact NE-CG 3.25Å; R292-D336 IonicContact NE-OD1 2.83Å; R292-D336 PolarHBondContact NE-OD1 2.79Å; R292-D336 IonicContact NE-OD2 2.74Å; R292-D336 PolarHBondContact NE-OD2 2.84Å; R292-D336 IonicContact NH2-OD1 3.35Å; R292-D336 PolarHBondContact NH2-OD1 3.36Å
293L89.1Confident87.8Confident3 Ų377.6 Ų77.62%0.01639%0.385CS..Hα-helixtrans-57.8-36.8172.7-85.2176.3000113.1M285 H289 K295 Y296 A297 M309 D336 L337M285-L293 HydrophobicContact CE-CD1 3.4Å; M285-L293 HydrophobicContact SD-CD1 4.2Å; H289-L293 PolarHBondContact O-N 2.59Å; L293-K295 VanDerWaalsContact C-N 3.3Å; L293-K295 PolarHBondContact O-N 2.94Å; L293-Y296 PolarHBondContact O-N 2.94Å; L293-A297 VanDerWaalsContact O-CB 3.32Å; L293-A297 WeakPolarHBondContact O-CB 3.17Å; L293-A297 PolarHBondContact O-N 3.49Å; L293-M309 HydrophobicContact CD2-CE 4.09Å; L293-D336 WeakPolarHBondContact CD1-O 3.45Å; L293-D336 WeakPolarHBondContact CD2-O 3.36Å; L293-D336 WeakPolarHBondContact CG-O 3.18Å; L293-L337 HydrophobicContact CD2-CD1 4.3Å
294M90.9Very high88.5Confident100 Ų10082.8 Ų82.849%0.49341%0.408SS..Hα-helixtrans-65.2-31.6177-163.7177.2-168.100112.7K290 Q291 R292 N298K290-M294 WeakPolarHBondContact O-CB 3.27Å; K290-M294 PolarHBondContact O-N 2.9Å; Q291-M294 PolarHBondContact O-N 3.25Å; R292-M294 VanDerWaalsContact C-N 3.26Å; R292-M294 PolarHBondContact O-N 3.03Å; M294-N298 VanDerWaalsContact O-CB 3.29Å; M294-N298 WeakPolarHBondContact O-CB 3.19Å; M294-N298 PolarHBondContact O-N 2.65Å; M294-N298 PolarHBondContact O-ND2 3.37Å; M294-N298 PolarHBondContact O-OD1 3.18Å
295K92.2Very high89.3Confident141 Ų14175 Ų7561%0.61337%0.368SS*.Hα-helixtrans-66.9-43.6173.2-68173.9-178-178.50112.1Q291 R292 L293 S299Q291-K295 WeakPolarHBondContact O-CG 3.29Å; Q291-K295 PolarHBondContact O-N 3.25Å; R292-K295 WeakPolarHBondContact O-CB 3.48Å; R292-K295 PolarHBondContact O-N 3.5Å; L293-K295 VanDerWaalsContact C-N 3.3Å; L293-K295 PolarHBondContact O-N 2.94Å; K295-S299 PolarHBondContact O-N 3.39Å; K295-S299 PolarHBondContact O-OG 3.41Å
296Y91.9Very high90Very high33 Ų3377.7 Ų77.713%0.12938%0.377CS..Hα-helixtrans-62.7-49.5173.1-69-68.3000110.8R292 L293 N298 S299 I300 L327 E330 A331 L334R292-Y296 VanDerWaalsContact O-CD2 3.27Å; R292-Y296 WeakPolarHBondContact O-CD2 3.25Å; R292-Y296 PolarHBondContact O-N 3.05Å; L293-Y296 PolarHBondContact O-N 2.94Å; Y296-N298 PolarHBondContact O-N 2.87Å; Y296-S299 WeakPolarHBondContact O-CB 3.44Å; Y296-S299 PolarHBondContact O-N 3.34Å; Y296-I300 WeakPolarHBondContact O-CG1 3.26Å; Y296-I300 PolarHBondContact O-N 3.32Å; Y296-L327 HydrophobicContact CD1-CB 4.49Å; Y296-L327 HydrophobicContact CD1-CD2 4.15Å; Y296-E330 HydrophobicContact CE1-CG 4.35Å; Y296-E330 VanDerWaalsContact CE1-OE1 3.29Å; Y296-E330 WeakPolarHBondContact CE1-OE1 3.46Å; Y296-E330 PolarHBondContact OH-OE1 3.28Å; Y296-A331 HydrophobicContact CD1-CB 4.33Å; Y296-A331 HydrophobicContact CD2-CB 3.93Å; Y296-A331 HydrophobicContact CE2-CB 4.12Å; Y296-A331 HydrophobicContact CG-CB 4.07Å; Y296-L334 WeakPolarHBondContact OH-CD1 3.36Å
297A90.8Very high90.4Very high0 Ų078.1 Ų78.10%037%0.374CS..Hα-helixtrans-59.3-43.2-179.700000112.8L293 S299 I300 R306 M309 M310L293-A297 VanDerWaalsContact O-CB 3.32Å; L293-A297 WeakPolarHBondContact O-CB 3.17Å; L293-A297 PolarHBondContact O-N 3.49Å; A297-S299 PolarHBondContact O-N 2.96Å; A297-S299 VanDerWaalsContact O-N 3.11Å; A297-I300 PolarHBondContact O-N 3.05Å; A297-I300 VanDerWaalsContact O-N 3.14Å; A297-R306 HydrophobicContact CB-CG 4Å; A297-R306 VanDerWaalsContact O-CG 3.3Å; A297-R306 WeakPolarHBondContact O-CG 3.47Å; A297-M309 HydrophobicContact CB-CB 4.25Å; A297-M310 HydrophobicContact CB-CG 3.78Å
298N92.2Very high90.8Very high112 Ų11271.6 Ų71.660%0.59935%0.346SS*.THydrogen-bonded Turntrans-63.8-14.6176.2-71.9-12.6000113.9M294 Y296M294-N298 VanDerWaalsContact O-CB 3.29Å; M294-N298 WeakPolarHBondContact O-CB 3.19Å; M294-N298 PolarHBondContact O-N 2.65Å; M294-N298 PolarHBondContact O-ND2 3.37Å; M294-N298 PolarHBondContact O-OD1 3.18Å; Y296-N298 PolarHBondContact O-N 2.87Å
299S92.7Very high91.1Very high71 Ų7165.1 Ų65.150%0.49732%0.316SS..THydrogen-bonded Turntrans-100.3-3.2179.1-500000113.4K295 Y296 A297 L327K295-S299 PolarHBondContact O-N 3.39Å; K295-S299 PolarHBondContact O-OG 3.41Å; Y296-S299 WeakPolarHBondContact O-CB 3.44Å; Y296-S299 PolarHBondContact O-N 3.34Å; A297-S299 PolarHBondContact O-N 2.96Å; A297-S299 VanDerWaalsContact O-N 3.11Å; S299-L327 WeakPolarHBondContact O-CD1 3.16Å
300I92.7Very high91.3Very high11 Ų1167.5 Ų67.56%0.05633%0.328CS..  trans-91.4135.7-176.4-76.3170.5000111.1Y296 A297 D302 L305 R306 M309 D324 L327 V328Y296-I300 WeakPolarHBondContact O-CG1 3.26Å; Y296-I300 PolarHBondContact O-N 3.32Å; A297-I300 PolarHBondContact O-N 3.05Å; A297-I300 VanDerWaalsContact O-N 3.14Å; I300-D302 WeakPolarHBondContact CG2-O 3.5Å; I300-L305 HydrophobicContact CD1-CD2 4.42Å; I300-L305 HydrophobicContact CD1-CG 4.32Å; I300-L305 HydrophobicContact CG2-CB 4.02Å; I300-L305 HydrophobicContact CG2-CD2 3.98Å; I300-L305 HydrophobicContact CG2-CG 4.01Å; I300-R306 HydrophobicContact CB-CB 4.36Å; I300-R306 HydrophobicContact CG2-CB 4.07Å; I300-M309 HydrophobicContact CD1-CE 4.16Å; I300-M309 HydrophobicContact CD1-CG 3.88Å; I300-D324 WeakPolarHBondContact CA-OD1 3.36Å; I300-L327 HydrophobicContact CG1-CB 4.44Å; I300-L327 HydrophobicContact CG1-CD1 3.95Å; I300-V328 HydrophobicContact CD1-CG2 4.39Å
301L89.8Confident91.5Very high127 Ų12765.9 Ų65.967%0.66533%0.325SS*.SBendtrans-81.9-42.7-177.6-58.2177.1000112.4S303 D324L301-S303 PolarHBondContact O-N 3.35Å; L301-D324 PolarHBondContact N-OD1 3.43Å; L301-D324 PolarHBondContact N-OD2 3.43Å
302D89.3Confident91.6Very high44 Ų4461.4 Ų61.424%0.23530%0.304CS..  trans-68.9110.9175.9179-9.1000110.9I300 K304 L305 R306 Y315 D324I300-D302 WeakPolarHBondContact CG2-O 3.5Å; D302-K304 VanDerWaalsContact C-N 3.26Å; D302-K304 PolarHBondContact O-N 3.42Å; D302-K304 WeakPolarHBondContact OD1-CB 3.5Å; D302-K304 PolarHBondContact OD1-N 3.41Å; D302-L305 HydrophobicContact CB-CB 3.8Å; D302-L305 PolarHBondContact O-N 3.19Å; D302-L305 VanDerWaalsContact O-N 3.15Å; D302-L305 PolarHBondContact OD1-N 2.67Å; D302-R306 PolarHBondContact O-N 2.85Å; D302-Y315 VanDerWaalsContact CG-OH 3.27Å; D302-Y315 PolarHBondContact OD1-OH 3.04Å; D302-Y315 WeakPolarHBondContact OD2-CE2 3.23Å; D302-Y315 PolarHBondContact OD2-OH 2.7Å; D302-D324 PolarHBondContact N-OD2 3.1Å
303S91.2Very high91.7Very high57 Ų5756.8 Ų56.840%0.39929%0.286SS..Hα-helixtrans-57.5-36.2-179.855.20000113.4L301 D307L301-S303 PolarHBondContact O-N 3.35Å; S303-D307 WeakPolarHBondContact O-CB 3.4Å; S303-D307 PolarHBondContact O-N 2.98Å; S303-D307 VanDerWaalsContact O-N 3.12Å
304K92.2Very high92Very high148 Ų14856.6 Ų56.664%0.64329%0.286SS*.Hα-helixtrans-75.9-33.6-179.3-66.6168.1-176.7167.70111D302 L308 Y315D302-K304 VanDerWaalsContact C-N 3.26Å; D302-K304 PolarHBondContact O-N 3.42Å; D302-K304 WeakPolarHBondContact OD1-CB 3.5Å; D302-K304 PolarHBondContact OD1-N 3.41Å; K304-L308 WeakPolarHBondContact O-CD1 3.23Å; K304-L308 VanDerWaalsContact O-CG 3.27Å; K304-L308 WeakPolarHBondContact O-CG 3.5Å; K304-L308 PolarHBondContact O-N 3.1Å; K304-Y315 WeakPolarHBondContact CB-OH 3.46Å
305L93.9Very high92.3Very high0 Ų052 Ų520%026%0.263CS..Hα-helixtrans-68.9-47.9173.7-179.258.1000111.1I300 D302 D307 L308 M309 Y315 V320 D324 V328I300-L305 HydrophobicContact CD1-CD2 4.42Å; I300-L305 HydrophobicContact CD1-CG 4.32Å; I300-L305 HydrophobicContact CG2-CB 4.02Å; I300-L305 HydrophobicContact CG2-CD2 3.98Å; I300-L305 HydrophobicContact CG2-CG 4.01Å; D302-L305 HydrophobicContact CB-CB 3.8Å; D302-L305 PolarHBondContact O-N 3.19Å; D302-L305 VanDerWaalsContact O-N 3.15Å; D302-L305 PolarHBondContact OD1-N 2.67Å; L305-D307 VanDerWaalsContact C-N 3.33Å; L305-D307 PolarHBondContact O-N 2.6Å; L305-L308 PolarHBondContact O-N 2.69Å; L305-M309 HydrophobicContact CD1-CG 4.15Å; L305-M309 HydrophobicContact CG-CG 4.31Å; L305-M309 WeakPolarHBondContact O-CB 3.34Å; L305-M309 VanDerWaalsContact O-CG 3.23Å; L305-M309 WeakPolarHBondContact O-CG 3.34Å; L305-M309 PolarHBondContact O-N 3.26Å; L305-Y315 HydrophobicContact CB-CE1 4.39Å; L305-Y315 HydrophobicContact CB-CE2 3.99Å; L305-Y315 HydrophobicContact CD1-CD1 4.24Å; L305-Y315 HydrophobicContact CD1-CD2 3.97Å; L305-Y315 HydrophobicContact CD1-CE1 4.37Å; L305-Y315 HydrophobicContact CD1-CE2 4.06Å; L305-Y315 HydrophobicContact CD1-CG 4.05Å; L305-Y315 HydrophobicContact CD2-CE2 4.49Å; L305-Y315 HydrophobicContact CG-CE2 4.4Å; L305-Y315 PolarHBondContact N-OH 2.79Å; L305-V320 HydrophobicContact CD2-CG1 3.94Å; L305-D324 HydrophobicContact CD2-CB 4.12Å; L305-V328 HydrophobicContact CD1-CG2 4.21Å; L305-V328 HydrophobicContact CD2-CG2 3.99Å; L305-V328 HydrophobicContact CG-CG2 4.42Å
306R94.4Very high92.4Very high82 Ų8245.6 Ų45.631%0.30924%0.235SC..Hα-helixtrans-52.6-49.6175.2173-169.371.5-134.9-5.9112A297 I300 D302 L308 M309 M310A297-R306 HydrophobicContact CB-CG 4Å; A297-R306 VanDerWaalsContact O-CG 3.3Å; A297-R306 WeakPolarHBondContact O-CG 3.47Å; I300-R306 HydrophobicContact CB-CB 4.36Å; I300-R306 HydrophobicContact CG2-CB 4.07Å; D302-R306 PolarHBondContact O-N 2.85Å; R306-L308 VanDerWaalsContact C-N 3.28Å; R306-L308 PolarHBondContact O-N 2.84Å; R306-M309 PolarHBondContact O-N 3.21Å; R306-M310 HydrophobicContact CG-CE 4.44Å; R306-M310 PolarHBondContact O-N 3.04Å; R306-M310 VanDerWaalsContact O-N 3.14Å
307D92.4Very high92.2Very high74 Ų7444.3 Ų44.340%0.39623%0.23SC..Hα-helixtrans-68.5-29.3-173.7-63.7-6.8000111.8S303 L305 M310S303-D307 WeakPolarHBondContact O-CB 3.4Å; S303-D307 PolarHBondContact O-N 2.98Å; S303-D307 VanDerWaalsContact O-N 3.12Å; L305-D307 VanDerWaalsContact C-N 3.33Å; L305-D307 PolarHBondContact O-N 2.6Å; D307-M310 HydrophobicContact CB-CE 4.48Å
308L93.6Very high91.7Very high21 Ų2146.3 Ų46.311%0.1125%0.247CC..Hα-helixtrans-77.5-37.1170.8-64.9170.5000112.7A274 A278 K304 L305 R306 M310 L311 G312 V313 Y315A274-L308 HydrophobicContact CB-CD1 4.07Å; A278-L308 HydrophobicContact CB-CD2 3.46Å; A278-L308 VanDerWaalsContact CB-CD2 3.46Å; K304-L308 WeakPolarHBondContact O-CD1 3.23Å; K304-L308 VanDerWaalsContact O-CG 3.27Å; K304-L308 WeakPolarHBondContact O-CG 3.5Å; K304-L308 PolarHBondContact O-N 3.1Å; L305-L308 PolarHBondContact O-N 2.69Å; R306-L308 VanDerWaalsContact C-N 3.28Å; R306-L308 PolarHBondContact O-N 2.84Å; L308-M310 VanDerWaalsContact C-N 3.28Å; L308-M310 PolarHBondContact O-N 2.71Å; L308-L311 CarbonylContact O-C 3.58Å; L308-L311 WeakPolarHBondContact O-CA 3.29Å; L308-L311 WeakPolarHBondContact O-CB 3.27Å; L308-L311 PolarHBondContact O-N 3.3Å; L308-G312 PolarHBondContact O-N 2.67Å; L308-V313 CarbonylContact C-O 3.59Å; L308-V313 WeakPolarHBondContact CB-O 3.37Å; L308-V313 PolarHBondContact O-N 3.03Å; L308-V313 VanDerWaalsContact O-N 3.15Å; L308-Y315 HydrophobicContact CD1-CD1 3.79Å; L308-Y315 HydrophobicContact CD1-CE1 3.67Å
309M92.3Very high91.1Very high0 Ų043.2 Ų43.20%024%0.241CC..Hα-helixtrans-60.9-36.5177.9-75.3-74.9-72.600111.7L293 A297 I300 L305 R306 L311 G312 V313 V328 A331 L337L293-M309 HydrophobicContact CD2-CE 4.09Å; A297-M309 HydrophobicContact CB-CB 4.25Å; I300-M309 HydrophobicContact CD1-CE 4.16Å; I300-M309 HydrophobicContact CD1-CG 3.88Å; L305-M309 HydrophobicContact CD1-CG 4.15Å; L305-M309 HydrophobicContact CG-CG 4.31Å; L305-M309 WeakPolarHBondContact O-CB 3.34Å; L305-M309 VanDerWaalsContact O-CG 3.23Å; L305-M309 WeakPolarHBondContact O-CG 3.34Å; L305-M309 PolarHBondContact O-N 3.26Å; R306-M309 PolarHBondContact O-N 3.21Å; M309-L311 PolarHBondContact O-N 3.37Å; M309-G312 PolarHBondContact O-N 3.48Å; M309-V313 PolarHBondContact N-O 2.89Å; M309-V328 HydrophobicContact CE-CG2 4.24Å; M309-V328 HydrophobicContact SD-CG2 4.13Å; M309-A331 HydrophobicContact CE-CB 4.11Å; M309-L337 HydrophobicContact CE-CD1 4.36Å; M309-L337 HydrophobicContact CE-CD2 4.41Å; M309-L337 HydrophobicContact SD-CD1 3.65Å; M309-L337 HydrophobicContact SD-CD2 3.84Å; M309-L337 HydrophobicContact SD-CG 4.35Å
310M88.8Confident90.8Very high84 Ų8440.2 Ų40.241%0.41422%0.22SC..THydrogen-bonded Turntrans-63.4-19171.5-68.4-169.6-71.500114A297 R306 D307 L308A297-M310 HydrophobicContact CB-CG 3.78Å; R306-M310 HydrophobicContact CG-CE 4.44Å; R306-M310 PolarHBondContact O-N 3.04Å; R306-M310 VanDerWaalsContact O-N 3.14Å; D307-M310 HydrophobicContact CB-CE 4.48Å; L308-M310 VanDerWaalsContact C-N 3.28Å; L308-M310 PolarHBondContact O-N 2.71Å
311L90.3Very high90.3Very high84 Ų8443.2 Ų43.244%0.4424%0.236SC..THydrogen-bonded Turntrans-98.13.8175.6-59.1174.4000112.9A278 F283 L308 M309A278-L311 HydrophobicContact CB-CB 4.46Å; A278-L311 HydrophobicContact CB-CD1 3.94Å; F283-L311 WeakPolarHBondContact CD2-O 3.47Å; L308-L311 CarbonylContact O-C 3.58Å; L308-L311 WeakPolarHBondContact O-CA 3.29Å; L308-L311 WeakPolarHBondContact O-CB 3.27Å; L308-L311 PolarHBondContact O-N 3.3Å; M309-L311 PolarHBondContact O-N 3.37Å
312G91.3Very high89.9Confident0 Ų041.3 Ų41.30%023%0.226CC..THydrogen-bonded Turntrans80.619-179.900000114.9L308 M309 P338 V339L308-G312 PolarHBondContact O-N 2.67Å; M309-G312 PolarHBondContact O-N 3.48Å; G312-P338 WeakPolarHBondContact O-CD 3.46Å; G312-V339 PolarHBondContact O-N 2.82Å
313V94.9Very high89.9Confident0 Ų041.7 Ų41.70%023%0.232CC..EExtended strand (participates in β ladder)trans-126.8127178.7-170.80000110.4A274 L277 A278 F283 L308 M309 V339 F341A274-V313 HydrophobicContact CB-CG1 3.77Å; L277-V313 HydrophobicContact CD2-CG2 4.36Å; A278-V313 HydrophobicContact CB-CG2 4.28Å; F283-V313 HydrophobicContact CD2-CG2 4.48Å; F283-V313 HydrophobicContact CE2-CG2 3.59Å; F283-V313 HydrophobicContact CZ-CG2 4.25Å; L308-V313 CarbonylContact C-O 3.59Å; L308-V313 WeakPolarHBondContact CB-O 3.37Å; L308-V313 PolarHBondContact O-N 3.03Å; L308-V313 VanDerWaalsContact O-N 3.15Å; M309-V313 PolarHBondContact N-O 2.89Å; V313-V339 WeakPolarHBondContact CA-O 3.33Å; V313-F341 HydrophobicContact CG1-CD2 3.76Å; V313-F341 HydrophobicContact CG1-CE2 3.7Å
314G95.4Very high89.9Confident0 Ų039 Ų390%021%0.213CC..EExtended strand (participates in β ladder)trans-116.4164.8175.400000112.7V339 F341G314-V339 PolarHBondContact N-O 3.17Å; G314-F341 PolarHBondContact O-N 3.23Å
315Y96.3Very high89.8Confident4 Ų434.9 Ų34.92%0.01619%0.194CC..EExtended strand (participates in β ladder)trans-128.8147.1164.257.1-112.2000113Q271 A274 D302 K304 L305 L308 V320 F341Q271-Y315 HydrophobicContact CB-CD1 4.22Å; Q271-Y315 HydrophobicContact CB-CE1 4.21Å; Q271-Y315 HydrophobicContact CG-CD1 3.95Å; Q271-Y315 HydrophobicContact CG-CD2 3.95Å; Q271-Y315 HydrophobicContact CG-CE1 3.88Å; Q271-Y315 HydrophobicContact CG-CE2 3.93Å; Q271-Y315 HydrophobicContact CG-CG 3.98Å; A274-Y315 HydrophobicContact CB-CD1 4.24Å; D302-Y315 VanDerWaalsContact CG-OH 3.27Å; D302-Y315 PolarHBondContact OD1-OH 3.04Å; D302-Y315 WeakPolarHBondContact OD2-CE2 3.23Å; D302-Y315 PolarHBondContact OD2-OH 2.7Å; K304-Y315 WeakPolarHBondContact CB-OH 3.46Å; L305-Y315 HydrophobicContact CB-CE1 4.39Å; L305-Y315 HydrophobicContact CB-CE2 3.99Å; L305-Y315 HydrophobicContact CD1-CD1 4.24Å; L305-Y315 HydrophobicContact CD1-CD2 3.97Å; L305-Y315 HydrophobicContact CD1-CE1 4.37Å; L305-Y315 HydrophobicContact CD1-CE2 4.06Å; L305-Y315 HydrophobicContact CD1-CG 4.05Å; L305-Y315 HydrophobicContact CD2-CE2 4.49Å; L305-Y315 HydrophobicContact CG-CE2 4.4Å; L305-Y315 PolarHBondContact N-OH 2.79Å; L308-Y315 HydrophobicContact CD1-CD1 3.79Å; L308-Y315 HydrophobicContact CD1-CE1 3.67Å; Y315-V320 HydrophobicContact CD2-CG2 3.86Å; Y315-V320 HydrophobicContact CE2-CG2 3.88Å; Y315-F341 CarbonylContact C-O 3.57Å; Y315-F341 WeakPolarHBondContact CA-O 3.29Å
316H93.2Very high89.5Confident5 Ų541 Ų412%0.02322%0.22CC..EExtended strand (participates in β ladder)trans-134.7123.3179.8-177.5-81.1000112.6R325 E329 L340 F341 T342 T343 T345 L346H316-R325 VanDerWaalsContact CD2-CG 3.47Å; H316-R325 WeakPolarHBondContact CD2-CG 3.35Å; H316-R325 WeakPolarHBondContact NE2-CD 3.45Å; H316-R325 VanDerWaalsContact NE2-CG 3.31Å; H316-R325 WeakPolarHBondContact NE2-CG 3.41Å; H316-E329 IonicContact CE1-OE1 2.8Å; H316-E329 IonicContact NE2-OE1 2.69Å; H316-E329 PolarHBondContact NE2-OE1 3.33Å; H316-L340 HydrophobicContact CB-CD1 4.01Å; H316-F341 PolarHBondContact N-O 2.95Å; H316-T342 WeakPolarHBondContact O-CA 3.48Å; H316-T342 PolarHBondContact O-OG1 2.9Å; H316-T343 PolarHBondContact O-N 2.89Å; H316-T343 VanDerWaalsContact O-N 3.16Å; H316-T345 PolarHBondContact ND1-OG1 3.05Å; H316-T345 VanDerWaalsContact ND1-OG1 3.08Å; H316-L346 HydrophobicContact CB-CD1 3.82Å; H316-L346 HydrophobicContact CB-CG 4.48Å; H316-L346 VanDerWaalsContact CE1-CD2 3.42Å; H316-L346 WeakPolarHBondContact CE1-CD2 3.49Å; H316-L346 WeakPolarHBondContact ND1-CG 3.46Å
317H88.2Confident89.4Confident6 Ų638.8 Ų38.83%0.02821%0.214CC..  trans-160.6163.517257.445000112.1R267 Q271 G319 V320 T343R267-H317 HydrophobicContact CB-CB 4.37Å; R267-H317 HydrophobicContact CG-CB 4.07Å; R267-H317 PolarHBondContact O-CD2 3.16Å; Q271-H317 PolarHBondContact NE2-NE2 3.35Å; H317-G319 PolarHBondContact ND1-N 3.23Å; H317-G319 PolarHBondContact O-N 3.35Å; H317-V320 VanDerWaalsContact CE1-CG2 3.48Å; H317-V320 WeakPolarHBondContact CE1-CG2 3.48Å; H317-V320 WeakPolarHBondContact ND1-CG2 3.33Å; H317-V320 PolarHBondContact ND1-N 3.25Å; H317-V320 PolarHBondContact O-N 3.31Å; H317-T343 HydrophobicContact CB-CG2 3.92Å; H317-T343 WeakPolarHBondContact CB-OG1 3.35Å
318A80.8Confident89.5Confident43 Ų4335.2 Ų35.236%0.35520%0.195SC..THydrogen-bonded Turntrans-62.81.6-17800000116.5T345A318-T345 HydrophobicContact CB-CG2 4.02Å
319G79.7Confident89.3Confident46 Ų4636 Ų3647%0.47420%0.199SC..THydrogen-bonded Turntrans-111.315.7167.800000114.4H317H317-G319 PolarHBondContact ND1-N 3.23Å; H317-G319 PolarHBondContact O-N 3.35Å
320V85.5Confident89.2Confident8 Ų840.4 Ų40.45%0.04822%0.219CC..SBendtrans-93.7148.2161.3177.60000107L305 Y315 H317 D324 R325L305-V320 HydrophobicContact CD2-CG1 3.94Å; Y315-V320 HydrophobicContact CD2-CG2 3.86Å; Y315-V320 HydrophobicContact CE2-CG2 3.88Å; H317-V320 VanDerWaalsContact CE1-CG2 3.48Å; H317-V320 WeakPolarHBondContact CE1-CG2 3.48Å; H317-V320 WeakPolarHBondContact ND1-CG2 3.33Å; H317-V320 PolarHBondContact ND1-N 3.25Å; H317-V320 PolarHBondContact O-N 3.31Å; V320-D324 HydrophobicContact CG1-CB 3.49Å; V320-D324 VanDerWaalsContact CG1-CB 3.49Å; V320-R325 HydrophobicContact CB-CG 3.78Å; V320-R325 HydrophobicContact CG1-CG 3.83Å; V320-R325 PolarHBondContact O-NE 2.99Å; V320-R325 PolarHBondContact O-NH2 3.35Å
321D84Confident89.4Confident74 Ų7436.4 Ų36.440%0.39620%0.199SC..  trans-57.4155.8177.4-174.7-105.1000112.8S323 D324 R325D321-S323 VanDerWaalsContact C-N 3.35Å; D321-S323 WeakPolarHBondContact OD1-CB 3.48Å; D321-S323 PolarHBondContact OD1-N 3.22Å; D321-S323 PolarHBondContact OD1-OG 3.19Å; D321-D324 HydrophobicContact CB-CB 4.3Å; D321-R325 WeakPolarHBondContact O-CB 3.5Å; D321-R325 VanDerWaalsContact O-CG 3.24Å; D321-R325 WeakPolarHBondContact O-CG 3.34Å; D321-R325 PolarHBondContact O-N 3.38Å; D321-R325 PolarHBondContact O-NE 2.95Å
322L79.8Confident89.5Confident88 Ų8832.7 Ų32.746%0.46118%0.179SC..Hα-helixtrans-67.5-31.9179.9-174.361.7000113.2K326L322-K326 WeakPolarHBondContact O-CG 3.39Å; L322-K326 PolarHBondContact O-N 2.92Å
323S89Confident89.3Confident51 Ų5136.7 Ų36.736%0.35720%0.204SC..Hα-helixtrans-70.5-53.1175.362.60000111.3D321 R325 K326 L327D321-S323 VanDerWaalsContact C-N 3.35Å; D321-S323 WeakPolarHBondContact OD1-CB 3.48Å; D321-S323 PolarHBondContact OD1-N 3.22Å; D321-S323 PolarHBondContact OD1-OG 3.19Å; S323-R325 VanDerWaalsContact C-N 3.27Å; S323-R325 PolarHBondContact O-N 3.32Å; S323-K326 PolarHBondContact O-N 3.49Å; S323-K326 VanDerWaalsContact O-N 3.11Å; S323-L327 PolarHBondContact O-N 2.76Å; S323-L327 VanDerWaalsContact O-N 3.1Å
324D91.9Very high88.9Confident2 Ų242 Ų421%0.01123%0.232CC..Hα-helixtrans-53.3-42.1174.8-77.94.1000112.2I300 L301 D302 L305 V320 D321 L327 V328I300-D324 WeakPolarHBondContact CA-OD1 3.36Å; L301-D324 PolarHBondContact N-OD1 3.43Å; L301-D324 PolarHBondContact N-OD2 3.43Å; D302-D324 PolarHBondContact N-OD2 3.1Å; L305-D324 HydrophobicContact CD2-CB 4.12Å; V320-D324 HydrophobicContact CG1-CB 3.49Å; V320-D324 VanDerWaalsContact CG1-CB 3.49Å; D321-D324 HydrophobicContact CB-CB 4.3Å; D324-L327 PolarHBondContact O-N 3.2Å; D324-V328 WeakPolarHBondContact O-CG2 3.49Å; D324-V328 PolarHBondContact O-N 3.34Å; D324-V328 VanDerWaalsContact O-N 3.09Å
325R89.4Confident88.5Confident61 Ų6143 Ų4323%0.2324%0.242CC..Hα-helixtrans-60.9-48.9175.9-78.5-173.9-83129-2.6112.5H316 V320 D321 S323 L327 V328 E329H316-R325 VanDerWaalsContact CD2-CG 3.47Å; H316-R325 WeakPolarHBondContact CD2-CG 3.35Å; H316-R325 WeakPolarHBondContact NE2-CD 3.45Å; H316-R325 VanDerWaalsContact NE2-CG 3.31Å; H316-R325 WeakPolarHBondContact NE2-CG 3.41Å; V320-R325 HydrophobicContact CB-CG 3.78Å; V320-R325 HydrophobicContact CG1-CG 3.83Å; V320-R325 PolarHBondContact O-NE 2.99Å; V320-R325 PolarHBondContact O-NH2 3.35Å; D321-R325 WeakPolarHBondContact O-CB 3.5Å; D321-R325 VanDerWaalsContact O-CG 3.24Å; D321-R325 WeakPolarHBondContact O-CG 3.34Å; D321-R325 PolarHBondContact O-N 3.38Å; D321-R325 PolarHBondContact O-NE 2.95Å; S323-R325 VanDerWaalsContact C-N 3.27Å; S323-R325 PolarHBondContact O-N 3.32Å; R325-L327 VanDerWaalsContact C-N 3.31Å; R325-L327 PolarHBondContact O-N 3.39Å; R325-V328 PolarHBondContact O-N 2.96Å; R325-V328 VanDerWaalsContact O-N 3.16Å; R325-E329 VanDerWaalsContact O-CG 3.29Å; R325-E329 WeakPolarHBondContact O-CG 3.47Å; R325-E329 PolarHBondContact O-N 3.27Å
326K88.9Confident88.2Confident127 Ų12743.2 Ų43.255%0.55224%0.244SC*.Hα-helixtrans-59.3-41.1178.5-73.5176178.4-177.10112.1L322 S323 V328 E329 E330L322-K326 WeakPolarHBondContact O-CG 3.39Å; L322-K326 PolarHBondContact O-N 2.92Å; S323-K326 PolarHBondContact O-N 3.49Å; S323-K326 VanDerWaalsContact O-N 3.11Å; K326-V328 PolarHBondContact O-N 2.93Å; K326-E329 PolarHBondContact O-N 3.35Å; K326-E330 WeakPolarHBondContact O-CB 3.42Å; K326-E330 PolarHBondContact O-N 3.23Å
327L92.3Very high88.1Confident36 Ų3643 Ų4319%0.18824%0.243CC..Hα-helixtrans-63.7-38.9177-66.2170.8000112.3Y296 S299 I300 S323 D324 R325 A331Y296-L327 HydrophobicContact CD1-CB 4.49Å; Y296-L327 HydrophobicContact CD1-CD2 4.15Å; S299-L327 WeakPolarHBondContact O-CD1 3.16Å; I300-L327 HydrophobicContact CG1-CB 4.44Å; I300-L327 HydrophobicContact CG1-CD1 3.95Å; S323-L327 PolarHBondContact O-N 2.76Å; S323-L327 VanDerWaalsContact O-N 3.1Å; D324-L327 PolarHBondContact O-N 3.2Å; R325-L327 VanDerWaalsContact C-N 3.31Å; R325-L327 PolarHBondContact O-N 3.39Å; L327-A331 VanDerWaalsContact O-CB 3.29Å; L327-A331 WeakPolarHBondContact O-CB 3.29Å; L327-A331 PolarHBondContact O-N 2.91Å
328V93.3Very high88.3Confident0 Ų043.8 Ų43.80%025%0.248CC..Hα-helixtrans-70.5-40.5175.7170.90000111.9I300 L305 M309 D324 R325 K326 F332 L337 L340I300-V328 HydrophobicContact CD1-CG2 4.39Å; L305-V328 HydrophobicContact CD1-CG2 4.21Å; L305-V328 HydrophobicContact CD2-CG2 3.99Å; L305-V328 HydrophobicContact CG-CG2 4.42Å; M309-V328 HydrophobicContact CE-CG2 4.24Å; M309-V328 HydrophobicContact SD-CG2 4.13Å; D324-V328 WeakPolarHBondContact O-CG2 3.49Å; D324-V328 PolarHBondContact O-N 3.34Å; D324-V328 VanDerWaalsContact O-N 3.09Å; R325-V328 PolarHBondContact O-N 2.96Å; R325-V328 VanDerWaalsContact O-N 3.16Å; K326-V328 PolarHBondContact O-N 2.93Å; V328-F332 WeakPolarHBondContact O-CB 3.31Å; V328-F332 PolarHBondContact O-N 3.45Å; V328-L337 HydrophobicContact CG1-CD2 4.12Å; V328-L340 HydrophobicContact CG1-CD1 3.46Å; V328-L340 VanDerWaalsContact CG1-CD1 3.46Å; V328-L340 HydrophobicContact CG1-CD2 4.06Å; V328-L340 HydrophobicContact CG1-CG 4.42Å
329E91.2Very high89Confident38 Ų3841.8 Ų41.818%0.17823%0.232CC..Hα-helixtrans-62.6-45.5175-69.2173.5171.100111.3H316 R325 K326 F332 T333 L346 L352H316-E329 IonicContact CE1-OE1 2.8Å; H316-E329 IonicContact NE2-OE1 2.69Å; H316-E329 PolarHBondContact NE2-OE1 3.33Å; R325-E329 VanDerWaalsContact O-CG 3.29Å; R325-E329 WeakPolarHBondContact O-CG 3.47Å; R325-E329 PolarHBondContact O-N 3.27Å; K326-E329 PolarHBondContact O-N 3.35Å; E329-F332 PolarHBondContact O-N 3.11Å; E329-T333 WeakPolarHBondContact O-CB 3.49Å; E329-T333 PolarHBondContact O-N 3.08Å; E329-T333 PolarHBondContact O-OG1 3.16Å; E329-L346 HydrophobicContact CG-CD2 4.35Å; E329-L352 HydrophobicContact CB-CD1 4.41Å; E329-L352 HydrophobicContact CB-CD2 4.46Å; E329-L352 HydrophobicContact CG-CD1 4.07Å; E329-L352 WeakPolarHBondContact O-CD2 3.3Å
330E90.3Very high89.7Confident92 Ų9239.6 Ų39.643%0.4321%0.209SC..Hα-helixtrans-62.2-52177-169.5-166.3133.400111.6Y296 K326 F332 T333 L334Y296-E330 HydrophobicContact CE1-CG 4.35Å; Y296-E330 VanDerWaalsContact CE1-OE1 3.29Å; Y296-E330 WeakPolarHBondContact CE1-OE1 3.46Å; Y296-E330 PolarHBondContact OH-OE1 3.28Å; K326-E330 WeakPolarHBondContact O-CB 3.42Å; K326-E330 PolarHBondContact O-N 3.23Å; E330-F332 VanDerWaalsContact C-N 3.25Å; E330-F332 PolarHBondContact O-N 3.49Å; E330-T333 WeakPolarHBondContact O-CB 3.3Å; E330-T333 PolarHBondContact O-N 3.36Å; E330-T333 VanDerWaalsContact O-N 3.1Å; E330-L334 HydrophobicContact CG-CD1 4.06Å; E330-L334 WeakPolarHBondContact O-CG 3.24Å; E330-L334 PolarHBondContact O-N 3.29Å
331A92.3Very high90.3Very high0 Ų039.2 Ų39.20%021%0.207CC..Hα-helixtrans-60.4-33.8179.800000112.7Y296 M309 L327 D336 L337Y296-A331 HydrophobicContact CD1-CB 4.33Å; Y296-A331 HydrophobicContact CD2-CB 3.93Å; Y296-A331 HydrophobicContact CE2-CB 4.12Å; Y296-A331 HydrophobicContact CG-CB 4.07Å; M309-A331 HydrophobicContact CE-CB 4.11Å; L327-A331 VanDerWaalsContact O-CB 3.29Å; L327-A331 WeakPolarHBondContact O-CB 3.29Å; L327-A331 PolarHBondContact O-N 2.91Å; A331-D336 CarbonylContact O-C 3.56Å; A331-D336 WeakPolarHBondContact O-CA 3.4Å; A331-D336 PolarHBondContact O-N 3.15Å; A331-L337 HydrophobicContact CB-CB 4.27Å; A331-L337 PolarHBondContact O-N 2.71Å
332F91.8Very high90.7Very high5 Ų535.7 Ų35.72%0.02219%0.188CC..Hα-helixtrans-75.1-40173.5-165.5-99.7000112.5P259 T260 L261 V328 E329 E330 L334 G335 L337 L340 L352 A354P259-F332 HydrophobicContact CB-CE2 4.07Å; P259-F332 HydrophobicContact CB-CZ 4.07Å; T260-F332 WeakPolarHBondContact O-CE2 3.37Å; L261-F332 HydrophobicContact CB-CE1 4.43Å; L261-F332 HydrophobicContact CB-CZ 4.02Å; L261-F332 HydrophobicContact CD1-CE1 4.35Å; L261-F332 HydrophobicContact CD1-CZ 4.33Å; V328-F332 WeakPolarHBondContact O-CB 3.31Å; V328-F332 PolarHBondContact O-N 3.45Å; E329-F332 PolarHBondContact O-N 3.11Å; E330-F332 VanDerWaalsContact C-N 3.25Å; E330-F332 PolarHBondContact O-N 3.49Å; F332-L334 VanDerWaalsContact C-N 3.33Å; F332-L334 PolarHBondContact O-N 3.45Å; F332-G335 PolarHBondContact O-N 3.13Å; F332-L337 HydrophobicContact CB-CB 4.36Å; F332-L337 HydrophobicContact CB-CD2 4.42Å; F332-L337 HydrophobicContact CD2-CB 4.23Å; F332-L337 HydrophobicContact CD2-CD2 4.31Å; F332-L337 HydrophobicContact CD2-CG 4.31Å; F332-L337 WeakPolarHBondContact CD2-O 3.19Å; F332-L340 HydrophobicContact CB-CD2 3.99Å; F332-L340 HydrophobicContact CD1-CD2 4.24Å; F332-L340 HydrophobicContact CD2-CB 3.57Å; F332-L340 HydrophobicContact CD2-CD2 4.06Å; F332-L340 HydrophobicContact CD2-CG 4.48Å; F332-L340 HydrophobicContact CE2-CB 3.67Å; F332-L340 HydrophobicContact CG-CB 4.22Å; F332-L340 HydrophobicContact CG-CD2 3.83Å; F332-L340 HydrophobicContact CZ-CB 4.39Å; F332-L352 HydrophobicContact CD1-CB 4.29Å; F332-L352 HydrophobicContact CD1-CD2 4.19Å; F332-A354 HydrophobicContact CE1-CB 4.02Å; F332-A354 HydrophobicContact CZ-CB 3.81Å
333T87.3Confident91.2Very high84 Ų8432.2 Ų32.252%0.51517%0.171SC..Hα-helixtrans-58-44.7176.6-55.80000111.6E329 E330 G335 L352E329-T333 WeakPolarHBondContact O-CB 3.49Å; E329-T333 PolarHBondContact O-N 3.08Å; E329-T333 PolarHBondContact O-OG1 3.16Å; E330-T333 WeakPolarHBondContact O-CB 3.3Å; E330-T333 PolarHBondContact O-N 3.36Å; E330-T333 VanDerWaalsContact O-N 3.1Å; T333-G335 PolarHBondContact O-N 3.07Å; T333-L352 WeakPolarHBondContact OG1-CD2 3.4Å
334L87.1Confident90.9Very high112 Ų11234.5 Ų34.559%0.58617%0.171SC*.THydrogen-bonded Turntrans-75.2-5179-63.9173.4000113.4Y296 E330 F332 D336Y296-L334 WeakPolarHBondContact OH-CD1 3.36Å; E330-L334 HydrophobicContact CG-CD1 4.06Å; E330-L334 WeakPolarHBondContact O-CG 3.24Å; E330-L334 PolarHBondContact O-N 3.29Å; F332-L334 VanDerWaalsContact C-N 3.33Å; F332-L334 PolarHBondContact O-N 3.45Å; L334-D336 PolarHBondContact O-N 2.82Å
335G86.3Confident90.2Very high21 Ų2136.8 Ų36.822%0.21619%0.185CC..THydrogen-bonded Turntrans73.69.2-175.600000114.4F332 T333 L337F332-G335 PolarHBondContact O-N 3.13Å; T333-G335 PolarHBondContact O-N 3.07Å; G335-L337 VanDerWaalsContact C-N 3.32Å
336D89.3Confident89.8Confident9 Ų933.9 Ų33.95%0.04817%0.174CC..  trans-73.8-22.2177-97.2-18.6000112.7H289 R292 L293 A331 L334 P338H289-D336 IonicContact CD2-OD1 2.7Å; H289-D336 PolarHBondContact CD2-OD1 3.07Å; H289-D336 WeakPolarHBondContact NE2-CA 3.45Å; H289-D336 PolarHBondContact NE2-O 3.28Å; H289-D336 IonicContact NE2-OD1 2.71Å; R292-D336 WeakPolarHBondContact CB-OD2 3.36Å; R292-D336 VanDerWaalsContact CD-OD2 3.27Å; R292-D336 WeakPolarHBondContact CD-OD2 3.32Å; R292-D336 IonicContact CZ-OD1 3.22Å; R292-D336 IonicContact CZ-OD2 2.86Å; R292-D336 VanDerWaalsContact NE-CG 3.25Å; R292-D336 IonicContact NE-OD1 2.83Å; R292-D336 PolarHBondContact NE-OD1 2.79Å; R292-D336 IonicContact NE-OD2 2.74Å; R292-D336 PolarHBondContact NE-OD2 2.84Å; R292-D336 IonicContact NH2-OD1 3.35Å; R292-D336 PolarHBondContact NH2-OD1 3.36Å; L293-D336 WeakPolarHBondContact CD1-O 3.45Å; L293-D336 WeakPolarHBondContact CD2-O 3.36Å; L293-D336 WeakPolarHBondContact CG-O 3.18Å; A331-D336 CarbonylContact O-C 3.56Å; A331-D336 WeakPolarHBondContact O-CA 3.4Å; A331-D336 PolarHBondContact O-N 3.15Å; L334-D336 PolarHBondContact O-N 2.82Å; D336-P338 WeakPolarHBondContact O-CD 3.38Å
337L92.1Very high89.1Confident0 Ų027.8 Ų27.80%015%0.148CC..  trans-100.4110.7173-176.961.6000112.1L293 M309 V328 A331 F332 G335 L340L293-L337 HydrophobicContact CD2-CD1 4.3Å; M309-L337 HydrophobicContact CE-CD1 4.36Å; M309-L337 HydrophobicContact CE-CD2 4.41Å; M309-L337 HydrophobicContact SD-CD1 3.65Å; M309-L337 HydrophobicContact SD-CD2 3.84Å; M309-L337 HydrophobicContact SD-CG 4.35Å; V328-L337 HydrophobicContact CG1-CD2 4.12Å; A331-L337 HydrophobicContact CB-CB 4.27Å; A331-L337 PolarHBondContact O-N 2.71Å; F332-L337 HydrophobicContact CB-CB 4.36Å; F332-L337 HydrophobicContact CB-CD2 4.42Å; F332-L337 HydrophobicContact CD2-CB 4.23Å; F332-L337 HydrophobicContact CD2-CD2 4.31Å; F332-L337 HydrophobicContact CD2-CG 4.31Å; F332-L337 WeakPolarHBondContact CD2-O 3.19Å; G335-L337 VanDerWaalsContact C-N 3.32Å; L337-L340 HydrophobicContact CD2-CB 4.14Å; L337-L340 HydrophobicContact CD2-CD1 4.19Å
338P92.1Very high88.1Confident22 Ų2227.5 Ų27.514%0.14315%0.146CC..SBendtrans-62.9-42.9-179.6-26.734.5000115.5P259 T260 F283 M285 G312 D336P259-P338 WeakPolarHBondContact CA-O 3.4Å; T260-P338 PolarHBondContact N-O 2.76Å; F283-P338 HydrophobicContact CD1-CB 4.08Å; F283-P338 HydrophobicContact CE1-CB 4.42Å; F283-P338 HydrophobicContact CG-CB 4.37Å; M285-P338 HydrophobicContact CE-CG 3.43Å; M285-P338 VanDerWaalsContact CE-CG 3.43Å; M285-P338 HydrophobicContact SD-CG 4.27Å; G312-P338 WeakPolarHBondContact O-CD 3.46Å; D336-P338 WeakPolarHBondContact O-CD 3.38Å
339V95.2Very high86.4Confident1 Ų128.6 Ų28.61%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-134.5128.4-176.7-171.80000111.6I251 T260 V262 L277 F283 G312 V313 G314 F341I251-V339 HydrophobicContact CD1-CG1 4.05Å; I251-V339 HydrophobicContact CD1-CG2 4.39Å; T260-V339 HydrophobicContact CG2-CG1 4.4Å; T260-V339 WeakPolarHBondContact O-CA 3.17Å; V262-V339 HydrophobicContact CG2-CG1 4.26Å; L277-V339 HydrophobicContact CD2-CB 4.18Å; L277-V339 HydrophobicContact CD2-CG1 3.79Å; L277-V339 HydrophobicContact CD2-CG2 4.15Å; F283-V339 HydrophobicContact CE1-CG2 3.59Å; F283-V339 HydrophobicContact CE2-CG2 4.49Å; F283-V339 HydrophobicContact CZ-CB 4.44Å; F283-V339 HydrophobicContact CZ-CG2 3.51Å; G312-V339 PolarHBondContact O-N 2.82Å; V313-V339 WeakPolarHBondContact CA-O 3.33Å; G314-V339 PolarHBondContact N-O 3.17Å; V339-F341 HydrophobicContact CG1-CD2 4.17Å; V339-F341 HydrophobicContact CG1-CE2 3.74Å; V339-F341 HydrophobicContact CG1-CZ 4.38Å
340L95.8Very high85.3Confident0 Ų028.8 Ų28.80%016%0.161CC..EExtended strand (participates in β ladder)trans-122.2118.6177178.953000111.1T260 L261 V262 H316 V328 F332 L337 L346T260-L340 PolarHBondContact O-N 2.8Å; L261-L340 HydrophobicContact CD1-CB 4.02Å; L261-L340 HydrophobicContact CD1-CD2 3.99Å; L261-L340 HydrophobicContact CD1-CG 3.93Å; V262-L340 PolarHBondContact N-O 3.42Å; H316-L340 HydrophobicContact CB-CD1 4.01Å; V328-L340 HydrophobicContact CG1-CD1 3.46Å; V328-L340 VanDerWaalsContact CG1-CD1 3.46Å; V328-L340 HydrophobicContact CG1-CD2 4.06Å; V328-L340 HydrophobicContact CG1-CG 4.42Å; F332-L340 HydrophobicContact CB-CD2 3.99Å; F332-L340 HydrophobicContact CD1-CD2 4.24Å; F332-L340 HydrophobicContact CD2-CB 3.57Å; F332-L340 HydrophobicContact CD2-CD2 4.06Å; F332-L340 HydrophobicContact CD2-CG 4.48Å; F332-L340 HydrophobicContact CE2-CB 3.67Å; F332-L340 HydrophobicContact CG-CB 4.22Å; F332-L340 HydrophobicContact CG-CD2 3.83Å; F332-L340 HydrophobicContact CZ-CB 4.39Å; L337-L340 HydrophobicContact CD2-CB 4.14Å; L337-L340 HydrophobicContact CD2-CD1 4.19Å; L340-L346 HydrophobicContact CD2-CD1 3.77Å
341F96.4Very high84.3Confident0 Ų029.8 Ų29.80%017%0.169CC..EExtended strand (participates in β ladder)trans-90.4120.4171.6-71.9-93.6000110.6M247 V262 A270 S273 A274 L277 V313 G314 Y315 H316 V339M247-F341 HydrophobicContact CG-CE1 4.26Å; M247-F341 HydrophobicContact CG-CZ 4.43Å; M247-F341 HydrophobicContact SD-CE1 3.85Å; M247-F341 HydrophobicContact SD-CZ 4.43Å; V262-F341 HydrophobicContact CB-CD1 3.61Å; V262-F341 HydrophobicContact CB-CE1 3.8Å; V262-F341 HydrophobicContact CB-CG 4.22Å; V262-F341 HydrophobicContact CG1-CD1 3.65Å; V262-F341 HydrophobicContact CG1-CE1 3.64Å; V262-F341 HydrophobicContact CG2-CD1 4.22Å; V262-F341 HydrophobicContact CG2-CE1 3.99Å; V262-F341 HydrophobicContact CG2-CZ 4.3Å; V262-F341 CarbonylContact O-C 3.59Å; V262-F341 WeakPolarHBondContact O-CA 3.41Å; A270-F341 HydrophobicContact CB-CB 4.27Å; S273-F341 VanDerWaalsContact CB-CD1 3.45Å; A274-F341 HydrophobicContact CB-CB 4.33Å; A274-F341 HydrophobicContact CB-CD2 3.59Å; A274-F341 HydrophobicContact CB-CE2 4.13Å; A274-F341 HydrophobicContact CB-CG 4.08Å; L277-F341 HydrophobicContact CB-CE2 4.06Å; L277-F341 HydrophobicContact CB-CZ 3.98Å; L277-F341 HydrophobicContact CD2-CE2 3.63Å; L277-F341 HydrophobicContact CD2-CZ 3.78Å; L277-F341 HydrophobicContact CG-CE2 4.49Å; L277-F341 HydrophobicContact CG-CZ 4.48Å; V313-F341 HydrophobicContact CG1-CD2 3.76Å; V313-F341 HydrophobicContact CG1-CE2 3.7Å; G314-F341 PolarHBondContact O-N 3.23Å; Y315-F341 CarbonylContact C-O 3.57Å; Y315-F341 WeakPolarHBondContact CA-O 3.29Å; H316-F341 PolarHBondContact N-O 2.95Å; V339-F341 HydrophobicContact CG1-CD2 4.17Å; V339-F341 HydrophobicContact CG1-CE2 3.74Å; V339-F341 HydrophobicContact CG1-CZ 4.38Å
342T94Very high83.5Confident0 Ų029.8 Ų29.80%017%0.169CC..EExtended strand (participates in β ladder)trans-127.7156.1-176.1-177.60000112.5L261 V262 F263 C264 H316 T345 L346L261-T342 HydrophobicContact CD1-CG2 3.64Å; L261-T342 HydrophobicContact CG-CG2 4.03Å; V262-T342 PolarHBondContact O-N 3.27Å; F263-T342 CarbonylContact C-O 3.55Å; F263-T342 WeakPolarHBondContact CA-O 3.36Å; F263-T342 HydrophobicContact CD1-CG2 3.53Å; F263-T342 HydrophobicContact CE1-CG2 3.5Å; F263-T342 VanDerWaalsContact CE1-CG2 3.5Å; F263-T342 HydrophobicContact CG-CG2 4.15Å; F263-T342 HydrophobicContact CZ-CG2 4.13Å; C264-T342 PolarHBondContact N-O 2.93Å; H316-T342 WeakPolarHBondContact O-CA 3.48Å; H316-T342 PolarHBondContact O-OG1 2.9Å; T342-T345 PolarHBondContact OG1-OG1 3.33Å; T342-L346 HydrophobicContact CG2-CB 4.26Å; T342-L346 HydrophobicContact CG2-CD1 4.48Å; T342-L346 WeakPolarHBondContact OG1-CG 3.48Å
343T89.6Confident82.8Confident16 Ų1631.1 Ų31.110%0.09818%0.178CC..  trans-83.6-173.6159.451.20000110.3R267 H316 H317 T345R267-T343 HydrophobicContact CG-CG2 4.38Å; H316-T343 PolarHBondContact O-N 2.89Å; H316-T343 VanDerWaalsContact O-N 3.16Å; H317-T343 HydrophobicContact CB-CG2 3.92Å; H317-T343 WeakPolarHBondContact CB-OG1 3.35Å; T343-T345 PolarHBondContact O-N 3.28Å; T343-T345 PolarHBondContact OG1-OG1 3.1Å
344R82.1Confident83Confident98 Ų9827.1 Ų27.137%0.3715%0.154SC..G310 helixtrans-53-17.4174.3-159.4-157.4-74.9-147.4-4.1113.9L346 A347 D377 M381R344-L346 PolarHBondContact O-N 2.83Å; R344-A347 HydrophobicContact CG-CB 4.15Å; R344-A347 VanDerWaalsContact O-CB 3.3Å; R344-A347 WeakPolarHBondContact O-CB 3.34Å; R344-A347 PolarHBondContact O-N 3.4Å; R344-D377 WeakPolarHBondContact CD-OD1 3.5Å; R344-D377 IonicContact CZ-OD1 3.31Å; R344-D377 IonicContact CZ-OD2 2.58Å; R344-D377 IonicContact NE-OD1 3.13Å; R344-D377 PolarHBondContact NE-OD1 3.17Å; R344-D377 IonicContact NE-OD2 2.74Å; R344-D377 IonicContact NH1-OD1 3.23Å; R344-D377 PolarHBondContact NH1-OD1 3.38Å; R344-D377 IonicContact NH1-OD2 3.33Å; R344-D377 PolarHBondContact NH1-OD2 3.04Å; R344-D377 IonicContact NH2-OD1 3.88Å; R344-D377 IonicContact NH2-OD2 3.05Å; R344-D377 PolarHBondContact NH2-OD2 3.26Å; R344-M381 HydrophobicContact CB-CE 4.29Å; R344-M381 HydrophobicContact CG-CE 3.98Å
345T77Confident83.2Confident50 Ų5021.8 Ų21.831%0.30713%0.126SC..G310 helixtrans-48.6-29.5178.545.10000116.4H316 A318 T342 T343H316-T345 PolarHBondContact ND1-OG1 3.05Å; H316-T345 VanDerWaalsContact ND1-OG1 3.08Å; A318-T345 HydrophobicContact CB-CG2 4.02Å; T342-T345 PolarHBondContact OG1-OG1 3.33Å; T343-T345 PolarHBondContact O-N 3.28Å; T343-T345 PolarHBondContact OG1-OG1 3.1Å
346L82.5Confident83.6Confident0 Ų020.8 Ų20.80%012%0.116CC..G310 helixtrans-108.68.7176.5-58-180000114H316 E329 L340 T342 R344 M348 V350 L352H316-L346 HydrophobicContact CB-CD1 3.82Å; H316-L346 HydrophobicContact CB-CG 4.48Å; H316-L346 VanDerWaalsContact CE1-CD2 3.42Å; H316-L346 WeakPolarHBondContact CE1-CD2 3.49Å; H316-L346 WeakPolarHBondContact ND1-CG 3.46Å; E329-L346 HydrophobicContact CG-CD2 4.35Å; L340-L346 HydrophobicContact CD2-CD1 3.77Å; T342-L346 HydrophobicContact CG2-CB 4.26Å; T342-L346 HydrophobicContact CG2-CD1 4.48Å; T342-L346 WeakPolarHBondContact OG1-CG 3.48Å; R344-L346 PolarHBondContact O-N 2.83Å; L346-M348 VanDerWaalsContact C-N 3.26Å; L346-V350 HydrophobicContact CD2-CB 4.5Å; L346-V350 HydrophobicContact CD2-CG2 4.07Å; L346-L352 HydrophobicContact CB-CD1 4.37Å; L346-L352 HydrophobicContact CD1-CD1 3.71Å; L346-L352 HydrophobicContact CD2-CD1 3.73Å; L346-L352 HydrophobicContact CG-CD1 4.13Å
347A73.8Confident83.9Confident0 Ų020.4 Ų20.40%011%0.114CC..THydrogen-bonded Turntrans-70.2-29.2173.700000111.1F263 R344 M381 R384F263-A347 HydrophobicContact CE1-CB 3.84Å; F263-A347 HydrophobicContact CZ-CB 4.21Å; R344-A347 HydrophobicContact CG-CB 4.15Å; R344-A347 VanDerWaalsContact O-CB 3.3Å; R344-A347 WeakPolarHBondContact O-CB 3.34Å; R344-A347 PolarHBondContact O-N 3.4Å; A347-M381 HydrophobicContact CB-CE 4.46Å; A347-M381 HydrophobicContact CB-CG 3.7Å; A347-R384 PolarHBondContact O-NE 2.95Å; A347-R384 PolarHBondContact O-NH2 3.24Å
348M70.1Confident84.1Confident30 Ų3020.5 Ų20.515%0.14811%0.114CC..SBendtrans-141.2151.9-175-49-172.97800110.5I70 L73 L346 V350 Q380I70-M348 HydrophobicContact CD1-CB 3.45Å; I70-M348 VanDerWaalsContact CD1-CB 3.45Å; I70-M348 HydrophobicContact CD1-CE 3.79Å; I70-M348 HydrophobicContact CD1-CG 4.18Å; I70-M348 HydrophobicContact CD1-SD 3.73Å; I70-M348 HydrophobicContact CG1-CE 3.68Å; I70-M348 HydrophobicContact CG1-SD 4.13Å; I70-M348 HydrophobicContact CG2-CE 4.23Å; I70-M348 HydrophobicContact CG2-SD 4.13Å; L73-M348 HydrophobicContact CD1-CE 3.66Å; L73-M348 HydrophobicContact CG-CE 4.22Å; L346-M348 VanDerWaalsContact C-N 3.26Å; M348-V350 PolarHBondContact O-N 2.95Å; M348-Q380 HydrophobicContact CE-CG 3.87Å; M348-Q380 HydrophobicContact CG-CB 4.07Å; M348-Q380 HydrophobicContact CG-CG 4.25Å; M348-Q380 HydrophobicContact SD-CB 4.49Å; M348-Q380 HydrophobicContact SD-CG 4.17Å
349G59Low84.3Confident23 Ų2319.4 Ų19.424%0.23711%0.107CC..SBendtrans89-14.8170.800000118
350V67.3Low84.3Confident41 Ų4119.4 Ų19.425%0.24811%0.107CC..SBendtrans-129.8140.5175.6-161.20000109.8L346 M348 L352 R384L346-V350 HydrophobicContact CD2-CB 4.5Å; L346-V350 HydrophobicContact CD2-CG2 4.07Å; M348-V350 PolarHBondContact O-N 2.95Å; V350-L352 HydrophobicContact CB-CD1 4.07Å; V350-L352 HydrophobicContact CB-CG 4.24Å; V350-L352 HydrophobicContact CG1-CD1 3.88Å; V350-L352 HydrophobicContact CG1-CG 3.83Å; V350-L352 PolarHBondContact O-N 3.18Å; V350-L352 VanDerWaalsContact O-N 3.11Å; V350-R384 PolarHBondContact O-NH1 3.11Å
351N68.9Low84.1Confident113 Ų11319.5 Ų19.560%0.60411%0.108SC*.  trans-86.373.2179.8-168.825.7000112.1P353N351-P353 WeakPolarHBondContact O-CD 3.47Å
352L76.3Confident83.9Confident1 Ų119.7 Ų19.71%0.00511%0.109CC..  trans-110.375.4178.4-63.3166.2000111.5E329 F332 T333 L346 V350E329-L352 HydrophobicContact CB-CD1 4.41Å; E329-L352 HydrophobicContact CB-CD2 4.46Å; E329-L352 HydrophobicContact CG-CD1 4.07Å; E329-L352 WeakPolarHBondContact O-CD2 3.3Å; F332-L352 HydrophobicContact CD1-CB 4.29Å; F332-L352 HydrophobicContact CD1-CD2 4.19Å; T333-L352 WeakPolarHBondContact OG1-CD2 3.4Å; L346-L352 HydrophobicContact CB-CD1 4.37Å; L346-L352 HydrophobicContact CD1-CD1 3.71Å; L346-L352 HydrophobicContact CD2-CD1 3.73Å; L346-L352 HydrophobicContact CG-CD1 4.13Å; V350-L352 HydrophobicContact CB-CD1 4.07Å; V350-L352 HydrophobicContact CB-CG 4.24Å; V350-L352 HydrophobicContact CG1-CD1 3.88Å; V350-L352 HydrophobicContact CG1-CG 3.83Å; V350-L352 PolarHBondContact O-N 3.18Å; V350-L352 VanDerWaalsContact O-N 3.11Å
353P77.3Confident83.6Confident33 Ų3320.9 Ų20.921%0.21412%0.115CC..  trans-77137.1175.531.7-33.2000110.9N351 R384 R387N351-P353 WeakPolarHBondContact O-CD 3.47Å; P353-R384 CarbonylContact C-O 3.48Å; P353-R384 WeakPolarHBondContact CA-O 3.48Å; P353-R387 HydrophobicContact CB-CB 4.37Å; P353-R387 HydrophobicContact CB-CG 3.73Å; P353-R387 HydrophobicContact CG-CB 4.4Å; P353-R387 HydrophobicContact CG-CG 3.87Å; P353-R387 VanDerWaalsContact O-CD 3.3Å; P353-R387 WeakPolarHBondContact O-CD 3.32Å; P353-R387 VanDerWaalsContact O-CG 3.22Å; P353-R387 WeakPolarHBondContact O-CG 3.11Å
354A90Very high83.4Confident0 Ų021 Ų210%011%0.114CC..BIsolated β-bridgetrans-120.6159.3-17800000110.5L261 F332 V357 R384 A385 G386L261-A354 HydrophobicContact CB-CB 3.71Å; F332-A354 HydrophobicContact CE1-CB 4.02Å; F332-A354 HydrophobicContact CZ-CB 3.81Å; A354-V357 HydrophobicContact CB-CG2 4.49Å; A354-R384 PolarHBondContact N-O 2.94Å; A354-A385 CarbonylContact O-C 3.51Å; A354-A385 WeakPolarHBondContact O-CA 3.23Å; A354-G386 PolarHBondContact O-N 3.39Å
355H91.9Very high83Confident0 Ų021.5 Ų21.50%012%0.117CC..SBendtrans-75.4-45.9173.8177.882.4000111.4S255 D256 K258 P259 D391 S393 A394 T395S255-H355 PolarHBondContact O-CD2 3.07Å; S255-H355 VanDerWaalsContact O-CD2 3.32Å; D256-H355 IonicContact OD2-NE2 2.85Å; K258-H355 HydrophobicContact CB-CB 3.45Å; K258-H355 VanDerWaalsContact CB-CB 3.45Å; K258-H355 HydrophobicContact CD-CB 3.84Å; K258-H355 WeakPolarHBondContact CD-ND1 3.41Å; K258-H355 HydrophobicContact CG-CB 4.33Å; P259-H355 PolarHBondContact O-N 3.18Å; H355-D391 IonicContact CE1-OD1 2.72Å; H355-D391 IonicContact CG-OD1 3.4Å; H355-D391 IonicContact ND1-OD1 2.61Å; H355-D391 PolarHBondContact ND1-OD1 3.42Å; H355-S393 PolarHBondContact CE1-O 3.41Å; H355-S393 PolarHBondContact ND1-O 3.27Å; H355-A394 WeakPolarHBondContact O-CA 3.37Å; H355-A394 WeakPolarHBondContact O-CB 3.31Å; H355-T395 PolarHBondContact O-N 2.66Å
356L94.8Very high82.4Confident0 Ų021.9 Ų21.90%012%0.119CC..EExtended strand (participates in β ladder)trans-109127.1174.9172.562.7000109.9I251 P259 T260 L261 V358 T395 V397I251-L356 HydrophobicContact CG1-CD2 4.46Å; P259-L356 PolarHBondContact O-N 3.22Å; T260-L356 CarbonylContact C-O 3.56Å; T260-L356 WeakPolarHBondContact CA-O 3.48Å; T260-L356 HydrophobicContact CG2-CB 4.1Å; T260-L356 HydrophobicContact CG2-CD2 3.7Å; T260-L356 HydrophobicContact CG2-CG 3.85Å; L261-L356 PolarHBondContact N-O 2.89Å; L356-V358 HydrophobicContact CD1-CG2 4.03Å; L356-V358 HydrophobicContact CD2-CG2 3.96Å; L356-V358 HydrophobicContact CG-CG2 3.87Å; L356-T395 WeakPolarHBondContact CA-O 3.09Å; L356-T395 HydrophobicContact CD1-CG2 4.11Å; L356-V397 HydrophobicContact CD1-CG2 3.83Å
357V95.4Very high81.3Confident1 Ų123.5 Ų23.51%0.00613%0.132CC..EExtended strand (participates in β ladder)trans-108.1132.4163.1173.60000109.4L261 F263 A354 R384 A385 T395 A396 V397L261-V357 WeakPolarHBondContact O-CA 3.15Å; F263-V357 HydrophobicContact CD2-CG1 3.8Å; F263-V357 HydrophobicContact CE2-CG1 3.85Å; A354-V357 HydrophobicContact CB-CG2 4.49Å; V357-R384 HydrophobicContact CG2-CB 3.93Å; V357-A385 HydrophobicContact CB-CB 4.08Å; V357-A385 HydrophobicContact CG2-CB 3.71Å; V357-T395 PolarHBondContact N-O 2.99Å; V357-A396 CarbonylContact O-C 3.45Å; V357-A396 WeakPolarHBondContact O-CA 3.21Å; V357-V397 PolarHBondContact O-N 2.76Å
358V96.8Very high80.5Confident1 Ų124.1 Ų24.11%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-119.4122.9171.6-174.60000109.2M247 I250 L261 V262 F263 L356 V397 M399M247-V358 HydrophobicContact CE-CG1 4.19Å; I250-V358 HydrophobicContact CG2-CG1 4.26Å; I250-V358 HydrophobicContact CG2-CG2 3.9Å; L261-V358 PolarHBondContact O-N 3.22Å; V262-V358 CarbonylContact C-O 3.58Å; V262-V358 WeakPolarHBondContact CA-O 3.36Å; V262-V358 HydrophobicContact CG1-CB 4.18Å; V262-V358 HydrophobicContact CG1-CG1 4.43Å; V262-V358 HydrophobicContact CG2-CB 4.22Å; V262-V358 HydrophobicContact CG2-CG2 4.46Å; F263-V358 PolarHBondContact N-O 3.44Å; L356-V358 HydrophobicContact CD1-CG2 4.03Å; L356-V358 HydrophobicContact CD2-CG2 3.96Å; L356-V358 HydrophobicContact CG-CG2 3.87Å; V358-V397 CarbonylContact C-O 3.56Å; V358-V397 WeakPolarHBondContact CA-O 3.42Å; V358-V397 HydrophobicContact CG2-CB 4.43Å; V358-M399 HydrophobicContact CG1-CG 4.21Å; V358-M399 HydrophobicContact CG1-SD 3.66Å
359I96.4Very high80.2Confident0 Ų023.6 Ų23.60%014%0.138CC..EExtended strand (participates in β ladder)trans-92.4104166-62.8-175.9000107.4F263 S361 I378 M381 I382 V397 M399F263-I359 HydrophobicContact CB-CG1 4.47Å; I359-S361 WeakPolarHBondContact CG2-O 3.22Å; I359-S361 PolarHBondContact O-N 2.83Å; I359-I378 HydrophobicContact CD1-CB 4.25Å; I359-I378 HydrophobicContact CD1-CG1 4.16Å; I359-I378 HydrophobicContact CD1-CG2 3.95Å; I359-M381 HydrophobicContact CD1-CB 3.82Å; I359-M381 HydrophobicContact CD1-CG 4.47Å; I359-M381 HydrophobicContact CD1-SD 3.82Å; I359-M381 HydrophobicContact CG1-CB 4.2Å; I359-M381 HydrophobicContact CG1-SD 4Å; I359-I382 HydrophobicContact CD1-CD1 3.92Å; I359-I382 HydrophobicContact CD1-CG1 3.87Å; I359-V397 PolarHBondContact N-O 3.09Å; I359-M399 WeakPolarHBondContact O-CB 3.35Å; I359-M399 PolarHBondContact O-N 3.3Å
360K94.4Very high81Confident0 Ų025.3 Ų25.30%015%0.146CC..EExtended strand (participates in β ladder)trans-86.5106.4179.2-169.3-153.8107.5177.80109.6D240 L243 N244 M247 V262 F263 S273D240-K360 WeakPolarHBondContact O-CE 3.29Å; D240-K360 PolarHBondContact O-NZ 2.9Å; D240-K360 WeakPolarHBondContact OD1-CE 3.44Å; D240-K360 IonicContact OD1-NZ 3.7Å; D240-K360 VanDerWaalsContact OD2-CE 3.27Å; D240-K360 WeakPolarHBondContact OD2-CE 3.38Å; D240-K360 IonicContact OD2-NZ 3.84Å; D240-K360 PolarHBondContact OD2-NZ 3.22Å; L243-K360 HydrophobicContact CB-CD 4.27Å; L243-K360 HydrophobicContact CB-CG 3.85Å; L243-K360 HydrophobicContact CD1-CG 4.08Å; N244-K360 PolarHBondContact OD1-NZ 3.04Å; M247-K360 HydrophobicContact CE-CB 4.32Å; M247-K360 HydrophobicContact CE-CD 4.36Å; M247-K360 HydrophobicContact CE-CG 3.86Å; M247-K360 HydrophobicContact SD-CB 4.46Å; M247-K360 HydrophobicContact SD-CD 4.04Å; M247-K360 HydrophobicContact SD-CG 4.11Å; V262-K360 HydrophobicContact CG1-CB 4.14Å; F263-K360 WeakPolarHBondContact O-CB 3.24Å; F263-K360 PolarHBondContact O-N 3.38Å; S273-K360 PolarHBondContact OG-NZ 2.87Å
361S92.3Very high81.8Confident2 Ų227.6 Ų27.61%0.01415%0.154CC..  trans69.6141.5-167.5-163.90000112.8I359 M363 M399I359-S361 WeakPolarHBondContact CG2-O 3.22Å; I359-S361 PolarHBondContact O-N 2.83Å; S361-M363 VanDerWaalsContact C-N 3.33Å; S361-M363 PolarHBondContact OG-N 3.29Å; S361-M399 CarbonylContact C-O 3.56Å; S361-M399 WeakPolarHBondContact CA-O 3.3Å; S361-M399 PolarHBondContact N-O 3.26Å
362T91.6Very high82.7Confident4 Ų425 Ų253%0.02514%0.138CC..SBendtrans-94.35.6172.654.60000113.1E372 Y373 I398 T400 Y408T362-E372 WeakPolarHBondContact O-CA 3.19Å; T362-Y373 WeakPolarHBondContact O-CD2 3.4Å; T362-Y373 PolarHBondContact O-N 3.28Å; T362-I398 HydrophobicContact CG2-CG2 3.37Å; T362-T400 PolarHBondContact OG1-OG1 2.95Å; T362-Y408 VanDerWaalsContact CB-CZ 3.47Å; T362-Y408 WeakPolarHBondContact CB-OH 3.38Å; T362-Y408 HydrophobicContact CG2-CD1 4.3Å; T362-Y408 HydrophobicContact CG2-CD2 3.84Å; T362-Y408 HydrophobicContact CG2-CE1 4.15Å; T362-Y408 HydrophobicContact CG2-CE2 3.63Å; T362-Y408 HydrophobicContact CG2-CG 4.17Å; T362-Y408 VanDerWaalsContact OG1-CE2 3.23Å; T362-Y408 WeakPolarHBondContact OG1-CE2 3.48Å
363M88.3Confident83.2Confident26 Ų2625.5 Ų25.513%0.12814%0.14CC..EExtended strand (participates in β ladder)trans-101.5145.3172.7-71.7-73.7179.900110.9S265 S361 E371 E372S265-M363 VanDerWaalsContact CB-O 3.23Å; S265-M363 WeakPolarHBondContact CB-O 3.24Å; S361-M363 VanDerWaalsContact C-N 3.33Å; S361-M363 PolarHBondContact OG-N 3.29Å; M363-E371 CarbonylContact C-O 3.59Å; M363-E371 WeakPolarHBondContact CA-O 3.01Å; M363-E371 VanDerWaalsContact SD-C 3.51Å; M363-E372 HydrophobicContact CE-CG 3.61Å; M363-E372 HydrophobicContact SD-CG 3.79Å
364Q84.3Confident83.4Confident18 Ų1825.9 Ų25.98%0.08414%0.144CC..EExtended strand (participates in β ladder)trans-127.8156.3177.551.9169.6-3.100111.2V366 C370 E371 E372 Y373Q364-V366 HydrophobicContact CB-CG2 4.34Å; Q364-V366 VanDerWaalsContact CD-CG2 3.47Å; Q364-V366 HydrophobicContact CG-CG2 3.98Å; Q364-C370 WeakPolarHBondContact O-CA 3.43Å; Q364-E371 WeakPolarHBondContact CG-O 3.38Å; Q364-E371 PolarHBondContact N-O 2.99Å; Q364-E371 PolarHBondContact O-N 3.24Å; Q364-E372 PolarHBondContact NE2-O 3.23Å; Q364-Y373 HydrophobicContact CB-CD1 3.91Å; Q364-Y373 HydrophobicContact CB-CD2 4.45Å; Q364-Y373 HydrophobicContact CB-CE1 3.57Å; Q364-Y373 HydrophobicContact CB-CE2 4.16Å; Q364-Y373 HydrophobicContact CB-CG 4.34Å; Q364-Y373 HydrophobicContact CG-CD1 3.94Å; Q364-Y373 HydrophobicContact CG-CE1 4.13Å; Q364-Y373 HydrophobicContact CG-CG 4.24Å
365Y74Confident82.8Confident108 Ų10828.1 Ų28.142%0.42415%0.154SC..EExtended strand (participates in β ladder)trans-105.4102.5173.3-161.8-112.1000110.3S265 G368 S369 R555S265-Y365 PolarHBondContact O-N 3.25Å; Y365-G368 WeakPolarHBondContact CE2-O 3.35Å; Y365-G368 VanDerWaalsContact CZ-O 3.23Å; Y365-G368 WeakPolarHBondContact OH-CA 3.28Å; Y365-G368 PolarHBondContact OH-O 2.98Å; Y365-S369 WeakPolarHBondContact CA-O 3.47Å; Y365-S369 WeakPolarHBondContact CD2-O 3.35Å; Y365-R555 WeakPolarHBondContact OH-CD 3.22Å; Y365-R555 PolarHBondContact OH-NE 2.94Å
366V65.4Low82Confident58 Ų5829.2 Ų29.235%0.35216%0.163SC..EExtended strand (participates in β ladder)trans-122.1129.9-176.9177.60000108.8Q364 G368 S369Q364-V366 HydrophobicContact CB-CG2 4.34Å; Q364-V366 VanDerWaalsContact CD-CG2 3.47Å; Q364-V366 HydrophobicContact CG-CG2 3.98Å; V366-G368 PolarHBondContact O-N 3.05Å; V366-S369 PolarHBondContact N-O 3.41Å; V366-S369 PolarHBondContact O-N 3.49Å; V366-S369 PolarHBondContact O-OG 3.4Å; V366-S369 VanDerWaalsContact O-OG 3.11Å
367A58.4Low81.4Confident34 Ų3429.6 Ų29.628%0.28117%0.165SC..THydrogen-bonded Turntrans54.6-6.3175.200000118.1D551 R555A367-D551 HydrophobicContact CB-CB 4.4Å; A367-D551 WeakPolarHBondContact CB-O 3.34Å; A367-R555 PolarHBondContact O-NH2 3.28Å
368G56.6Low81Confident14 Ų1429.6 Ų29.614%0.14417%0.165CC..THydrogen-bonded Turntrans137.5-16.4173.900000113.9Y365 V366 Q553Y365-G368 WeakPolarHBondContact CE2-O 3.35Å; Y365-G368 VanDerWaalsContact CZ-O 3.23Å; Y365-G368 WeakPolarHBondContact OH-CA 3.28Å; Y365-G368 PolarHBondContact OH-O 2.98Å; V366-G368 PolarHBondContact O-N 3.05Å; G368-Q553 VanDerWaalsContact C-OE1 3.25Å
369S64.9Low80.2Confident19 Ų1931 Ų3113%0.13317%0.173CC..EExtended strand (participates in β ladder)trans-91.1157.6174.136.30000111.1Y365 V366 E371 Q553Y365-S369 WeakPolarHBondContact CA-O 3.47Å; Y365-S369 WeakPolarHBondContact CD2-O 3.35Å; V366-S369 PolarHBondContact N-O 3.41Å; V366-S369 PolarHBondContact O-N 3.49Å; V366-S369 PolarHBondContact O-OG 3.4Å; V366-S369 VanDerWaalsContact O-OG 3.11Å; S369-E371 VanDerWaalsContact CB-OE1 3.29Å; S369-E371 WeakPolarHBondContact CB-OE1 3.37Å; S369-E371 VanDerWaalsContact OG-CD 3.26Å; S369-E371 PolarHBondContact OG-OE1 2.9Å; S369-Q553 VanDerWaalsContact CB-OE1 3.28Å; S369-Q553 PolarHBondContact OG-NE2 2.98Å
370C76.5Confident79.5Confident59 Ų5931.6 Ų31.640%0.39918%0.175SC..EExtended strand (participates in β ladder)trans-98.2118.8161.1-161.90000107.3E236 Q364E236-C370 HydrophobicContact CG-CB 4.34Å; Q364-C370 WeakPolarHBondContact O-CA 3.43Å
371E83.9Confident79.2Confident88 Ų8831.6 Ų31.641%0.41118%0.175SC..EExtended strand (participates in β ladder)trans-131158.8-174-73.3169.2-165.700109.3M363 Q364 S369M363-E371 CarbonylContact C-O 3.59Å; M363-E371 WeakPolarHBondContact CA-O 3.01Å; M363-E371 VanDerWaalsContact SD-C 3.51Å; Q364-E371 WeakPolarHBondContact CG-O 3.38Å; Q364-E371 PolarHBondContact N-O 2.99Å; Q364-E371 PolarHBondContact O-N 3.24Å; S369-E371 VanDerWaalsContact CB-OE1 3.29Å; S369-E371 WeakPolarHBondContact CB-OE1 3.37Å; S369-E371 VanDerWaalsContact OG-CD 3.26Å; S369-E371 PolarHBondContact OG-OE1 2.9Å
372E87.8Confident79Confident59 Ų5931.7 Ų31.728%0.27618%0.176SC..EExtended strand (participates in β ladder)trans-67.9153.7171.6-65.6-165.5155.800110.5T362 M363 Q364 K407 Y408T362-E372 WeakPolarHBondContact O-CA 3.19Å; M363-E372 HydrophobicContact CE-CG 3.61Å; M363-E372 HydrophobicContact SD-CG 3.79Å; Q364-E372 PolarHBondContact NE2-O 3.23Å; E372-K407 IonicContact OE2-NZ 3.35Å; E372-K407 PolarHBondContact OE2-NZ 3.23Å; E372-Y408 PolarHBondContact OE1-OH 3.2Å; E372-Y408 PolarHBondContact OE2-OH 3.21Å
373Y86.8Confident78.6Confident12 Ų1232.3 Ų32.35%0.04718%0.182CC..PPolyproline II helixtrans-64.4145.3164.8-75.3-72.8000110.1C264 S265 T362 Q364 D377 M381C264-Y373 PolarHBondContact O-OH 2.84Å; S265-Y373 WeakPolarHBondContact CA-OH 3.43Å; T362-Y373 WeakPolarHBondContact O-CD2 3.4Å; T362-Y373 PolarHBondContact O-N 3.28Å; Q364-Y373 HydrophobicContact CB-CD1 3.91Å; Q364-Y373 HydrophobicContact CB-CD2 4.45Å; Q364-Y373 HydrophobicContact CB-CE1 3.57Å; Q364-Y373 HydrophobicContact CB-CE2 4.16Å; Q364-Y373 HydrophobicContact CB-CG 4.34Å; Q364-Y373 HydrophobicContact CG-CD1 3.94Å; Q364-Y373 HydrophobicContact CG-CE1 4.13Å; Q364-Y373 HydrophobicContact CG-CG 4.24Å; Y373-D377 HydrophobicContact CD1-CB 4.2Å; Y373-M381 HydrophobicContact CD1-CE 3.94Å; Y373-M381 HydrophobicContact CE1-CE 3.55Å
374S80.4Confident78.5Confident41 Ų4132.2 Ų32.229%0.28718%0.18SC..PPolyproline II helixtrans-65.2153.5167.5770000110A376 D377 I378S374-A376 PolarHBondContact O-N 3.42Å; S374-D377 WeakPolarHBondContact CB-OD2 3.45Å; S374-D377 PolarHBondContact N-OD2 2.67Å; S374-D377 WeakPolarHBondContact O-CB 3.19Å; S374-D377 PolarHBondContact O-N 3.4Å; S374-D377 VanDerWaalsContact O-N 3.12Å; S374-D377 PolarHBondContact OG-N 2.98Å; S374-D377 VanDerWaalsContact OG-N 3.07Å; S374-D377 PolarHBondContact OG-OD2 2.7Å; S374-I378 PolarHBondContact O-N 2.84Å; S374-I378 VanDerWaalsContact O-N 3.12Å
375E78.7Confident78.7Confident47 Ų4731.3 Ų31.322%0.2218%0.176CC..Hα-helixtrans-60.2-37.1175.6-67.9148.4-132.800111.6K148 D377 I378 L379 L411K148-E375 WeakPolarHBondContact CE-OE2 3.47Å; K148-E375 IonicContact NZ-OE2 3.11Å; K148-E375 PolarHBondContact NZ-OE2 3.02Å; E375-D377 PolarHBondContact O-N 2.94Å; E375-I378 PolarHBondContact O-N 3.42Å; E375-L379 WeakPolarHBondContact O-CB 3.37Å; E375-L379 VanDerWaalsContact O-CG 3.25Å; E375-L379 WeakPolarHBondContact O-CG 3.34Å; E375-L379 PolarHBondContact O-N 2.77Å; E375-L411 HydrophobicContact CB-CD1 3.77Å; E375-L411 HydrophobicContact CB-CD2 4.14Å; E375-L411 HydrophobicContact CG-CD1 3.78Å; E375-L411 HydrophobicContact CG-CD2 3.88Å; E375-L411 HydrophobicContact CG-CG 4.41Å
376A75.2Confident79.2Confident23 Ų2326.5 Ų26.519%0.1916%0.16CC..Hα-helixtrans-60.3-43.2173.900000111.6S374 I378 L379 Q380S374-A376 PolarHBondContact O-N 3.42Å; A376-I378 PolarHBondContact O-N 2.62Å; A376-L379 PolarHBondContact O-N 2.88Å; A376-Q380 WeakPolarHBondContact O-CB 3.44Å; A376-Q380 WeakPolarHBondContact O-CG 3.36Å; A376-Q380 PolarHBondContact O-N 2.7Å
377D81.2Confident79.8Confident8 Ų825.9 Ų25.94%0.04315%0.151CC..Hα-helixtrans-61-45.9175.7-67.6-57.3000112R344 Y373 S374 E375 Q380 M381R344-D377 WeakPolarHBondContact CD-OD1 3.5Å; R344-D377 IonicContact CZ-OD1 3.31Å; R344-D377 IonicContact CZ-OD2 2.58Å; R344-D377 IonicContact NE-OD1 3.13Å; R344-D377 PolarHBondContact NE-OD1 3.17Å; R344-D377 IonicContact NE-OD2 2.74Å; R344-D377 IonicContact NH1-OD1 3.23Å; R344-D377 PolarHBondContact NH1-OD1 3.38Å; R344-D377 IonicContact NH1-OD2 3.33Å; R344-D377 PolarHBondContact NH1-OD2 3.04Å; R344-D377 IonicContact NH2-OD1 3.88Å; R344-D377 IonicContact NH2-OD2 3.05Å; R344-D377 PolarHBondContact NH2-OD2 3.26Å; Y373-D377 HydrophobicContact CD1-CB 4.2Å; S374-D377 WeakPolarHBondContact CB-OD2 3.45Å; S374-D377 PolarHBondContact N-OD2 2.67Å; S374-D377 WeakPolarHBondContact O-CB 3.19Å; S374-D377 PolarHBondContact O-N 3.4Å; S374-D377 VanDerWaalsContact O-N 3.12Å; S374-D377 PolarHBondContact OG-N 2.98Å; S374-D377 VanDerWaalsContact OG-N 3.07Å; S374-D377 PolarHBondContact OG-OD2 2.7Å; E375-D377 PolarHBondContact O-N 2.94Å; D377-Q380 PolarHBondContact O-N 3.4Å; D377-M381 HydrophobicContact CB-CE 4.48Å; D377-M381 WeakPolarHBondContact O-CB 3.41Å; D377-M381 WeakPolarHBondContact O-CG 3.42Å; D377-M381 PolarHBondContact O-N 3.31Å
378I86.8Confident80.5Confident0 Ų027.5 Ų27.50%016%0.158CC..Hα-helixtrans-62.7-44.3178.7-72174.3000110.7I359 S374 E375 A376 M381 I382 I398 Y408 L411I359-I378 HydrophobicContact CD1-CB 4.25Å; I359-I378 HydrophobicContact CD1-CG1 4.16Å; I359-I378 HydrophobicContact CD1-CG2 3.95Å; S374-I378 PolarHBondContact O-N 2.84Å; S374-I378 VanDerWaalsContact O-N 3.12Å; E375-I378 PolarHBondContact O-N 3.42Å; A376-I378 PolarHBondContact O-N 2.62Å; I378-M381 PolarHBondContact O-N 3.07Å; I378-I382 HydrophobicContact CG2-CD1 3.8Å; I378-I382 WeakPolarHBondContact O-CB 3Å; I378-I382 VanDerWaalsContact O-CG1 3.3Å; I378-I382 WeakPolarHBondContact O-CG1 3.26Å; I378-I382 PolarHBondContact O-N 3.48Å; I378-I398 HydrophobicContact CG2-CD1 3.98Å; I378-Y408 HydrophobicContact CD1-CD1 3.73Å; I378-Y408 HydrophobicContact CD1-CE1 3.38Å; I378-L411 HydrophobicContact CB-CD2 4.23Å; I378-L411 HydrophobicContact CD1-CD2 4.21Å; I378-L411 HydrophobicContact CG2-CD2 3.89Å
379L80.9Confident81.2Confident32 Ų3235.9 Ų35.917%0.16819%0.194CC..Hα-helixtrans-67.5-35.5178.4-68.8171.6000112.4E375 A376 G383 L411 M412E375-L379 WeakPolarHBondContact O-CB 3.37Å; E375-L379 VanDerWaalsContact O-CG 3.25Å; E375-L379 WeakPolarHBondContact O-CG 3.34Å; E375-L379 PolarHBondContact O-N 2.77Å; A376-L379 PolarHBondContact O-N 2.88Å; L379-G383 PolarHBondContact O-N 3.39Å; L379-L411 HydrophobicContact CD1-CD1 4.22Å; L379-L411 HydrophobicContact CG-CD1 4.36Å; L379-M412 HydrophobicContact CD2-CE 3.91Å
380Q81.9Confident81.7Confident11 Ų1142 Ų425%0.05122%0.218CC..Hα-helixtrans-71.7-40.6175.3-69.7-67.6-2300112.3E143 M348 A376 D377 G383E143-Q380 PolarHBondContact OE1-NE2 2.9Å; M348-Q380 HydrophobicContact CE-CG 3.87Å; M348-Q380 HydrophobicContact CG-CB 4.07Å; M348-Q380 HydrophobicContact CG-CG 4.25Å; M348-Q380 HydrophobicContact SD-CB 4.49Å; M348-Q380 HydrophobicContact SD-CG 4.17Å; A376-Q380 WeakPolarHBondContact O-CB 3.44Å; A376-Q380 WeakPolarHBondContact O-CG 3.36Å; A376-Q380 PolarHBondContact O-N 2.7Å; D377-Q380 PolarHBondContact O-N 3.4Å; Q380-G383 PolarHBondContact O-N 2.88Å
381M88.4Confident82.1Confident0 Ų039.6 Ų39.60%020%0.201CC..Hα-helixtrans-58.3-48170.9-73.7177.8-167.800111.3F263 R344 A347 I359 Y373 D377 I378 G383 R384F263-M381 HydrophobicContact CB-CE 4.35Å; F263-M381 HydrophobicContact CB-CG 4.38Å; F263-M381 HydrophobicContact CB-SD 3.63Å; F263-M381 HydrophobicContact CD1-CE 4.04Å; F263-M381 HydrophobicContact CD1-CG 3.69Å; F263-M381 HydrophobicContact CD1-SD 3.86Å; F263-M381 HydrophobicContact CD2-CB 3.65Å; F263-M381 HydrophobicContact CD2-CG 3.67Å; F263-M381 HydrophobicContact CD2-SD 4.01Å; F263-M381 HydrophobicContact CE1-CG 3.82Å; F263-M381 HydrophobicContact CE2-CB 3.61Å; F263-M381 HydrophobicContact CE2-CG 3.78Å; F263-M381 HydrophobicContact CG-CB 4.14Å; F263-M381 HydrophobicContact CG-CE 4.28Å; F263-M381 HydrophobicContact CG-CG 3.63Å; F263-M381 HydrophobicContact CG-SD 3.54Å; F263-M381 VanDerWaalsContact CG-SD 3.54Å; F263-M381 HydrophobicContact CZ-CB 4.09Å; F263-M381 HydrophobicContact CZ-CG 3.86Å; R344-M381 HydrophobicContact CB-CE 4.29Å; R344-M381 HydrophobicContact CG-CE 3.98Å; A347-M381 HydrophobicContact CB-CE 4.46Å; A347-M381 HydrophobicContact CB-CG 3.7Å; I359-M381 HydrophobicContact CD1-CB 3.82Å; I359-M381 HydrophobicContact CD1-CG 4.47Å; I359-M381 HydrophobicContact CD1-SD 3.82Å; I359-M381 HydrophobicContact CG1-CB 4.2Å; I359-M381 HydrophobicContact CG1-SD 4Å; Y373-M381 HydrophobicContact CD1-CE 3.94Å; Y373-M381 HydrophobicContact CE1-CE 3.55Å; D377-M381 HydrophobicContact CB-CE 4.48Å; D377-M381 WeakPolarHBondContact O-CB 3.41Å; D377-M381 WeakPolarHBondContact O-CG 3.42Å; D377-M381 PolarHBondContact O-N 3.31Å; I378-M381 PolarHBondContact O-N 3.07Å; M381-G383 VanDerWaalsContact C-N 3.32Å; M381-G383 PolarHBondContact O-N 3.25Å; M381-R384 VanDerWaalsContact O-CB 3.27Å; M381-R384 WeakPolarHBondContact O-CB 3.2Å; M381-R384 WeakPolarHBondContact O-CG 3.36Å; M381-R384 PolarHBondContact O-N 2.6Å; M381-R384 VanDerWaalsContact O-N 3.14Å
382I87.3Confident82.1Confident5 Ų541.4 Ų41.43%0.02622%0.219CC..Hα-helixtrans-73.1-26.3-178-70.5175000112.1L221 I359 I378 R384 A385 A396 I398 M412L221-I382 HydrophobicContact CD2-CG2 3.6Å; I359-I382 HydrophobicContact CD1-CD1 3.92Å; I359-I382 HydrophobicContact CD1-CG1 3.87Å; I378-I382 HydrophobicContact CG2-CD1 3.8Å; I378-I382 WeakPolarHBondContact O-CB 3Å; I378-I382 VanDerWaalsContact O-CG1 3.3Å; I378-I382 WeakPolarHBondContact O-CG1 3.26Å; I378-I382 PolarHBondContact O-N 3.48Å; I382-R384 PolarHBondContact O-N 2.63Å; I382-R384 VanDerWaalsContact O-N 3.1Å; I382-A385 WeakPolarHBondContact O-CB 3.21Å; I382-A385 PolarHBondContact O-N 3.36Å; I382-A396 HydrophobicContact CB-CB 4.33Å; I382-A396 HydrophobicContact CD1-CB 4.36Å; I382-A396 HydrophobicContact CG1-CB 4.03Å; I382-A396 HydrophobicContact CG2-CB 3.61Å; I382-I398 HydrophobicContact CD1-CD1 3.73Å; I382-I398 HydrophobicContact CD1-CG1 3.77Å; I382-M412 HydrophobicContact CB-CE 4.4Å; I382-M412 HydrophobicContact CD1-CE 3.52Å; I382-M412 HydrophobicContact CD1-SD 3.51Å; I382-M412 VanDerWaalsContact CD1-SD 3.51Å; I382-M412 HydrophobicContact CG2-CE 3.99Å; I382-M412 HydrophobicContact CG2-SD 4.33Å
383G82.6Confident82.1Confident16 Ų1640.9 Ų40.917%0.16522%0.222CC..THydrogen-bonded Turntrans-55.9-21.3167.800000114.1R217 L379 Q380 M381 A385R217-G383 PolarHBondContact NH2-O 2.9Å; L379-G383 PolarHBondContact O-N 3.39Å; Q380-G383 PolarHBondContact O-N 2.88Å; M381-G383 VanDerWaalsContact C-N 3.32Å; M381-G383 PolarHBondContact O-N 3.25Å; G383-A385 VanDerWaalsContact C-N 3.3Å; G383-A385 PolarHBondContact O-N 2.56Å
384R86.2Confident82.4Confident24 Ų2440.3 Ų40.39%0.09122%0.219CC..THydrogen-bonded Turntrans-75.2-12.5173.8-52.7-65.3159.1-175.8-0.2114.1L261 F263 A347 V350 P353 A354 V357 M381 I382 G386L261-R384 HydrophobicContact CD2-CB 4.04Å; L261-R384 HydrophobicContact CD2-CG 4.23Å; F263-R384 HydrophobicContact CE2-CG 4.5Å; F263-R384 HydrophobicContact CZ-CG 4.24Å; A347-R384 PolarHBondContact O-NE 2.95Å; A347-R384 PolarHBondContact O-NH2 3.24Å; V350-R384 PolarHBondContact O-NH1 3.11Å; P353-R384 CarbonylContact C-O 3.48Å; P353-R384 WeakPolarHBondContact CA-O 3.48Å; A354-R384 PolarHBondContact N-O 2.94Å; V357-R384 HydrophobicContact CG2-CB 3.93Å; M381-R384 VanDerWaalsContact O-CB 3.27Å; M381-R384 WeakPolarHBondContact O-CB 3.2Å; M381-R384 WeakPolarHBondContact O-CG 3.36Å; M381-R384 PolarHBondContact O-N 2.6Å; M381-R384 VanDerWaalsContact O-N 3.14Å; I382-R384 PolarHBondContact O-N 2.63Å; I382-R384 VanDerWaalsContact O-N 3.1Å; R384-G386 PolarHBondContact O-N 3.07Å
385A88.5Confident83Confident0 Ų038.8 Ų38.80%021%0.208CC..BIsolated β-bridgetrans-79.1119.1177.200000110.5R217 L221 A354 V357 I382 G383 A394 A396R217-A385 VanDerWaalsContact CZ-O 3.23Å; R217-A385 PolarHBondContact NH1-O 2.74Å; R217-A385 PolarHBondContact NH2-O 3.14Å; L221-A385 HydrophobicContact CD1-CB 3.52Å; A354-A385 CarbonylContact O-C 3.51Å; A354-A385 WeakPolarHBondContact O-CA 3.23Å; V357-A385 HydrophobicContact CB-CB 4.08Å; V357-A385 HydrophobicContact CG2-CB 3.71Å; I382-A385 WeakPolarHBondContact O-CB 3.21Å; I382-A385 PolarHBondContact O-N 3.36Å; G383-A385 VanDerWaalsContact C-N 3.3Å; G383-A385 PolarHBondContact O-N 2.56Å; A385-A394 HydrophobicContact CB-CB 4.2Å; A385-A396 HydrophobicContact CB-CB 4.31Å
386G85.7Confident83.8Confident7 Ų736.5 Ų36.57%0.07220%0.198CC..  trans104.9118178.500000112.8A354 R384 P388 A394A354-G386 PolarHBondContact O-N 3.39Å; R384-G386 PolarHBondContact O-N 3.07Å; G386-P388 WeakPolarHBondContact O-CD 3.38Å; G386-A394 VanDerWaalsContact N-CB 3.3Å
387R77.8Confident84.8Confident45 Ų4535.5 Ų35.517%0.1719%0.189CC..  trans-96.4110.4174.9-61.2-176.6-67.4168.64.7109P353 F390 D391P353-R387 HydrophobicContact CB-CB 4.37Å; P353-R387 HydrophobicContact CB-CG 3.73Å; P353-R387 HydrophobicContact CG-CB 4.4Å; P353-R387 HydrophobicContact CG-CG 3.87Å; P353-R387 VanDerWaalsContact O-CD 3.3Å; P353-R387 WeakPolarHBondContact O-CD 3.32Å; P353-R387 VanDerWaalsContact O-CG 3.22Å; P353-R387 WeakPolarHBondContact O-CG 3.11Å; R387-F390 HydrophobicContact CB-CB 3.89Å; R387-F390 HydrophobicContact CB-CD2 4.1Å; R387-F390 HydrophobicContact CB-CG 4.45Å; R387-F390 PolarHBondContact O-N 2.87Å; R387-D391 HydrophobicContact CB-CB 4.42Å; R387-D391 IonicContact CZ-OD2 3.54Å; R387-D391 VanDerWaalsContact CZ-OD2 3.29Å; R387-D391 IonicContact NE-OD2 3.61Å; R387-D391 PolarHBondContact NE-OD2 3.01Å; R387-D391 IonicContact NH2-OD2 2.68Å; R387-D391 PolarHBondContact NH2-OD2 3.18Å; R387-D391 PolarHBondContact O-N 3.22Å
388P71.6Confident85.5Confident67 Ų6735.1 Ų35.144%0.43519%0.187SC..THydrogen-bonded Turntrans-51.9147169.8-24.334.7000110.5G386 F390G386-P388 WeakPolarHBondContact O-CD 3.38Å; P388-F390 VanDerWaalsContact O-CD2 3.27Å; P388-F390 WeakPolarHBondContact O-CD2 3.24Å; P388-F390 PolarHBondContact O-N 3.13Å
389Q73.1Confident86Confident190 Ų19035.1 Ų35.189%0.88819%0.187SC*.THydrogen-bonded Turntrans67.8-28.1-174.7-50173.7-4.500116.2
390F75.6Confident86.6Confident147 Ų14733.6 Ų33.665%0.64518%0.179SC*.THydrogen-bonded Turntrans-103.2-24-177.4-58-86000115.1R387 P388R387-F390 HydrophobicContact CB-CB 3.89Å; R387-F390 HydrophobicContact CB-CD2 4.1Å; R387-F390 HydrophobicContact CB-CG 4.45Å; R387-F390 PolarHBondContact O-N 2.87Å; P388-F390 VanDerWaalsContact O-CD2 3.27Å; P388-F390 WeakPolarHBondContact O-CD2 3.24Å; P388-F390 PolarHBondContact O-N 3.13Å
391D83Confident87.2Confident9 Ų934 Ų345%0.04818%0.181CC..  trans-131.1132.8-174.1-82.3-68.1000111.7V219 K258 H355 R387V219-D391 HydrophobicContact CG1-CB 4.11Å; V219-D391 WeakPolarHBondContact CG1-O 3.19Å; V219-D391 WeakPolarHBondContact CG2-O 3.38Å; K258-D391 WeakPolarHBondContact CD-OD1 3.02Å; K258-D391 WeakPolarHBondContact CE-OD1 3.39Å; K258-D391 IonicContact NZ-OD1 3.26Å; K258-D391 PolarHBondContact NZ-OD1 2.63Å; H355-D391 IonicContact CE1-OD1 2.72Å; H355-D391 IonicContact CG-OD1 3.4Å; H355-D391 IonicContact ND1-OD1 2.61Å; H355-D391 PolarHBondContact ND1-OD1 3.42Å; R387-D391 HydrophobicContact CB-CB 4.42Å; R387-D391 IonicContact CZ-OD2 3.54Å; R387-D391 VanDerWaalsContact CZ-OD2 3.29Å; R387-D391 IonicContact NE-OD2 3.61Å; R387-D391 PolarHBondContact NE-OD2 3.01Å; R387-D391 IonicContact NH2-OD2 2.68Å; R387-D391 PolarHBondContact NH2-OD2 3.18Å; R387-D391 PolarHBondContact O-N 3.22Å
392T83.9Confident87.4Confident126 Ų12638.2 Ų38.277%0.77321%0.207SC*.SBendtrans-87.9-29174.650.30000112.4K220K220-T392 PolarHBondContact N-O 3.49Å
393S89.1Confident87.5Confident48 Ų4844.6 Ų44.634%0.33624%0.236SC..EExtended strand (participates in β ladder)trans-136.9161.2173.660.30000110.1K220 H355K220-S393 CarbonylContact O-C 3.58Å; K220-S393 VanDerWaalsContact O-CA 3.3Å; K220-S393 WeakPolarHBondContact O-CA 3.17Å; H355-S393 PolarHBondContact CE1-O 3.41Å; H355-S393 PolarHBondContact ND1-O 3.27Å
394A91.8Very high87.9Confident0 Ų044.6 Ų44.60%023%0.233CC..EExtended strand (participates in β ladder)trans-145.5160.4175.400000110.2V219 K220 L221 R222 H355 A385 G386V219-A394 HydrophobicContact CG1-CB 4.01Å; K220-A394 PolarHBondContact O-N 2.67Å; L221-A394 HydrophobicContact CD1-CB 4.23Å; R222-A394 PolarHBondContact N-O 3.2Å; H355-A394 WeakPolarHBondContact O-CA 3.37Å; H355-A394 WeakPolarHBondContact O-CB 3.31Å; A385-A394 HydrophobicContact CB-CB 4.2Å; G386-A394 VanDerWaalsContact N-CB 3.3Å
395T94.3Very high88.2Confident9 Ų949.3 Ų49.36%0.05525%0.251CS..EExtended strand (participates in β ladder)trans-122.4137.5178-55.70000111.3R222 V224 Y254 H355 L356 V357 V397R222-T395 HydrophobicContact CB-CG2 4.28Å; R222-T395 HydrophobicContact CG-CG2 4.38Å; R222-T395 WeakPolarHBondContact O-CA 3.41Å; V224-T395 HydrophobicContact CG2-CG2 4.11Å; Y254-T395 HydrophobicContact CD1-CG2 3.98Å; Y254-T395 HydrophobicContact CG-CG2 4.19Å; H355-T395 PolarHBondContact O-N 2.66Å; L356-T395 WeakPolarHBondContact CA-O 3.09Å; L356-T395 HydrophobicContact CD1-CG2 4.11Å; V357-T395 PolarHBondContact N-O 2.99Å; T395-V397 HydrophobicContact CG2-CG2 3.95Å
396A94.1Very high88.3Confident0 Ų055.1 Ų55.10%028%0.277CS..EExtended strand (participates in β ladder)trans-121.4122.1170.200000110L221 R222 V224 V357 I382 A385L221-A396 HydrophobicContact CD1-CB 3.87Å; L221-A396 HydrophobicContact CG-CB 4.47Å; R222-A396 PolarHBondContact O-N 2.75Å; V224-A396 PolarHBondContact N-O 3.14Å; V357-A396 CarbonylContact O-C 3.45Å; V357-A396 WeakPolarHBondContact O-CA 3.21Å; I382-A396 HydrophobicContact CB-CB 4.33Å; I382-A396 HydrophobicContact CD1-CB 4.36Å; I382-A396 HydrophobicContact CG1-CB 4.03Å; I382-A396 HydrophobicContact CG2-CB 3.61Å; A385-A396 HydrophobicContact CB-CB 4.31Å
397V96.7Very high88.5Confident1 Ų159 Ų591%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-114115.8-178.1-175.30000109.9V224 L226 I250 Y254 L356 V357 V358 I359 T395 M399V224-V397 HydrophobicContact CB-CG2 4.31Å; V224-V397 CarbonylContact O-C 3.48Å; V224-V397 WeakPolarHBondContact O-CA 3.38Å; L226-V397 HydrophobicContact CD1-CG1 3.68Å; L226-V397 HydrophobicContact CG-CG1 4.11Å; I250-V397 HydrophobicContact CG2-CB 4.4Å; I250-V397 HydrophobicContact CG2-CG1 4.11Å; I250-V397 HydrophobicContact CG2-CG2 4.37Å; Y254-V397 HydrophobicContact CD2-CG2 3.74Å; Y254-V397 HydrophobicContact CE2-CG2 4.2Å; Y254-V397 HydrophobicContact CG-CG2 3.99Å; L356-V397 HydrophobicContact CD1-CG2 3.83Å; V357-V397 PolarHBondContact O-N 2.76Å; V358-V397 CarbonylContact C-O 3.56Å; V358-V397 WeakPolarHBondContact CA-O 3.42Å; V358-V397 HydrophobicContact CG2-CB 4.43Å; I359-V397 PolarHBondContact N-O 3.09Å; T395-V397 HydrophobicContact CG2-CG2 3.95Å; V397-M399 HydrophobicContact CG1-CG 4.15Å
398I96.7Very high89.1Confident0 Ų057 Ų570%029%0.285CS..EExtended strand (participates in β ladder)trans-93.3123.5168.8-57.6-179.7000108.5V224 V225 L226 T362 I378 I382 Y408 M412V224-I398 PolarHBondContact O-N 2.92Å; V225-I398 HydrophobicContact CG1-CB 4.26Å; V225-I398 HydrophobicContact CG1-CG2 4.41Å; V225-I398 HydrophobicContact CG2-CB 4.39Å; V225-I398 HydrophobicContact CG2-CD1 4.35Å; L226-I398 PolarHBondContact N-O 3.05Å; T362-I398 HydrophobicContact CG2-CG2 3.37Å; I378-I398 HydrophobicContact CG2-CD1 3.98Å; I382-I398 HydrophobicContact CD1-CD1 3.73Å; I382-I398 HydrophobicContact CD1-CG1 3.77Å; I398-Y408 HydrophobicContact CG2-CG 4.44Å; I398-M412 HydrophobicContact CD1-CG 3.62Å; I398-M412 HydrophobicContact CD1-SD 4.04Å
399M96.1Very high89.9Confident0 Ų058.4 Ų58.40%029%0.287CS..EExtended strand (participates in β ladder)trans-104.7110.9174.1-59.7177.968.700109.4F228 L243 K246 M247 I250 V358 I359 S361 V397F228-M399 HydrophobicContact CD2-CB 4.24Å; F228-M399 HydrophobicContact CD2-CE 4.4Å; F228-M399 HydrophobicContact CE1-CE 4.35Å; F228-M399 HydrophobicContact CE2-CB 3.79Å; F228-M399 HydrophobicContact CE2-CE 3.55Å; F228-M399 HydrophobicContact CE2-CG 3.86Å; F228-M399 HydrophobicContact CZ-CE 3.53Å; L243-M399 HydrophobicContact CB-CE 4.07Å; L243-M399 HydrophobicContact CD1-CB 4.17Å; L243-M399 HydrophobicContact CD2-CE 4.2Å; L243-M399 HydrophobicContact CG-CE 4.5Å; K246-M399 HydrophobicContact CB-CE 3.96Å; M247-M399 HydrophobicContact CE-CE 3.71Å; M247-M399 HydrophobicContact CE-SD 3.25Å; M247-M399 WeakPolarHBondContact CE-SD 3.41Å; I250-M399 HydrophobicContact CG1-CE 4.07Å; I250-M399 HydrophobicContact CG1-SD 4.1Å; V358-M399 HydrophobicContact CG1-CG 4.21Å; V358-M399 HydrophobicContact CG1-SD 3.66Å; I359-M399 WeakPolarHBondContact O-CB 3.35Å; I359-M399 PolarHBondContact O-N 3.3Å; S361-M399 CarbonylContact C-O 3.56Å; S361-M399 WeakPolarHBondContact CA-O 3.3Å; S361-M399 PolarHBondContact N-O 3.26Å; V397-M399 HydrophobicContact CG1-CG 4.15Å
400T94.7Very high90.5Very high0 Ų054.6 Ų54.60%027%0.267CS..EExtended strand (participates in β ladder)trans-138.3-178.8-171.9-165.10000110.7V225 L226 G227 F228 T362 T404 R405 Y408V225-T400 HydrophobicContact CG1-CG2 3.87Å; L226-T400 PolarHBondContact O-N 3.4Å; G227-T400 CarbonylContact C-O 3.58Å; G227-T400 WeakPolarHBondContact CA-O 3.36Å; F228-T400 PolarHBondContact N-O 2.74Å; T362-T400 PolarHBondContact OG1-OG1 2.95Å; T400-T404 PolarHBondContact OG1-OG1 3.41Å; T400-R405 HydrophobicContact CG2-CB 4.36Å; T400-Y408 HydrophobicContact CG2-CD2 4Å; T400-Y408 WeakPolarHBondContact OG1-CD2 3.36Å; T400-Y408 WeakPolarHBondContact OG1-CE2 3.31Å
401K93.3Very high90.8Very high19 Ų1947.9 Ų47.98%0.08324%0.238CC..EExtended strand (participates in β ladder)trans-77.9159.1177.8-56.9171.2-172.5169.80110.4F228 C230 E236 F239 H403 T404 R405F228-K401 WeakPolarHBondContact O-CA 3.29Å; C230-K401 HydrophobicContact CB-CD 4.42Å; C230-K401 HydrophobicContact CB-CG 4.21Å; E236-K401 IonicContact OE1-NZ 3.6Å; E236-K401 PolarHBondContact OE1-NZ 2.88Å; E236-K401 WeakPolarHBondContact OE2-CE 3.37Å; E236-K401 IonicContact OE2-NZ 3.26Å; E236-K401 PolarHBondContact OE2-NZ 2.96Å; F239-K401 HydrophobicContact CD1-CG 4.37Å; F239-K401 HydrophobicContact CE1-CG 3.88Å; F239-K401 HydrophobicContact CE2-CG 4.08Å; F239-K401 HydrophobicContact CZ-CB 4.48Å; F239-K401 HydrophobicContact CZ-CG 3.73Å; K401-H403 VanDerWaalsContact C-N 3.29Å; K401-H403 WeakPolarHBondContact CD-NE2 3.38Å; K401-H403 PolarHBondContact O-N 2.68Å; K401-T404 PolarHBondContact N-OG1 2.9Å; K401-T404 VanDerWaalsContact N-OG1 3.15Å; K401-T404 PolarHBondContact O-N 3.44Å; K401-T404 PolarHBondContact O-OG1 2.59Å; K401-R405 PolarHBondContact O-N 3.47Å
402V92.8Very high90.7Very high90 Ų9047.6 Ų47.655%0.54524%0.237SC..THydrogen-bonded Turntrans-53.8-44.6177.7-1800000112.3F228 R405F228-V402 PolarHBondContact O-N 2.7Å; F228-V402 VanDerWaalsContact O-N 3.12Å; V402-R405 VanDerWaalsContact O-CB 3.26Å; V402-R405 WeakPolarHBondContact O-CB 3.48Å; V402-R405 PolarHBondContact O-N 3.35Å
403H90.3Very high90.4Very high138 Ų13846.3 Ų46.364%0.63923%0.225SC*.THydrogen-bonded Turntrans-73.7-31.5-176.853.8-103.5000114.1K401 R405K401-H403 VanDerWaalsContact C-N 3.29Å; K401-H403 WeakPolarHBondContact CD-NE2 3.38Å; K401-H403 PolarHBondContact O-N 2.68Å; H403-R405 VanDerWaalsContact C-N 3.32Å
404T91Very high89.5Confident16 Ų1645 Ų4510%0.09822%0.22CC..THydrogen-bonded Turntrans-81.9-9.6176.246.80000113.4T400 K401 E406 K407 Y408T400-T404 PolarHBondContact OG1-OG1 3.41Å; K401-T404 PolarHBondContact N-OG1 2.9Å; K401-T404 VanDerWaalsContact N-OG1 3.15Å; K401-T404 PolarHBondContact O-N 3.44Å; K401-T404 PolarHBondContact O-OG1 2.59Å; T404-E406 VanDerWaalsContact C-N 3.27Å; T404-E406 PolarHBondContact O-N 3.06Å; T404-K407 WeakPolarHBondContact O-CB 3.45Å; T404-K407 PolarHBondContact O-N 3.32Å; T404-K407 VanDerWaalsContact O-N 3.16Å; T404-Y408 HydrophobicContact CG2-CE2 4.33Å; T404-Y408 VanDerWaalsContact O-CD2 3.27Å; T404-Y408 WeakPolarHBondContact O-CD2 2.98Å; T404-Y408 PolarHBondContact O-N 2.88Å
405R93.1Very high88.6Confident124 Ų12450.1 Ų50.147%0.46825%0.246SC..Hα-helixtrans-52.8-41.8-177.6-169.9-172.7-178.6-150.9-4.7113V225 T400 K401 V402 H403 M409V225-R405 HydrophobicContact CB-CG 4.42Å; V225-R405 HydrophobicContact CG1-CG 3.91Å; V225-R405 PolarHBondContact O-NE 3.23Å; T400-R405 HydrophobicContact CG2-CB 4.36Å; K401-R405 PolarHBondContact O-N 3.47Å; V402-R405 VanDerWaalsContact O-CB 3.26Å; V402-R405 WeakPolarHBondContact O-CB 3.48Å; V402-R405 PolarHBondContact O-N 3.35Å; H403-R405 VanDerWaalsContact C-N 3.32Å; R405-M409 WeakPolarHBondContact O-CB 3.19Å; R405-M409 PolarHBondContact O-N 3.43Å
406E90.3Very high87.7Confident121 Ų12153.3 Ų53.357%0.56526%0.26SS*.Hα-helixtrans-69.5-40-178.7-163.5-171.9139.900112.4T404 Y408 M409 K410T404-E406 VanDerWaalsContact C-N 3.27Å; T404-E406 PolarHBondContact O-N 3.06Å; E406-Y408 PolarHBondContact O-N 2.83Å; E406-M409 PolarHBondContact O-N 3.35Å; E406-K410 PolarHBondContact O-N 3.09Å; E406-K410 WeakPolarHBondContact OE1-CE 3.25Å; E406-K410 IonicContact OE1-NZ 2.7Å; E406-K410 PolarHBondContact OE1-NZ 2.97Å
407K89.6Confident87.4Confident90 Ų9057.3 Ų57.339%0.39128%0.281SS..Hα-helixtrans-55.1-54.4174.4177.4-179176.6178.90110.5E372 T404 M409 K410 L411E372-K407 IonicContact OE2-NZ 3.35Å; E372-K407 PolarHBondContact OE2-NZ 3.23Å; T404-K407 WeakPolarHBondContact O-CB 3.45Å; T404-K407 PolarHBondContact O-N 3.32Å; T404-K407 VanDerWaalsContact O-N 3.16Å; K407-M409 VanDerWaalsContact C-N 3.25Å; K407-M409 PolarHBondContact O-N 3.08Å; K407-K410 PolarHBondContact O-N 2.95Å; K407-L411 PolarHBondContact O-N 2.95Å
408Y89.9Confident87.1Confident2 Ų257.4 Ų57.41%0.00828%0.281CS..Hα-helixtrans-70.4-21.1-178.3-64.5-64.8000113.5T362 E372 I378 I398 T400 T404 E406 L411 M412T362-Y408 VanDerWaalsContact CB-CZ 3.47Å; T362-Y408 WeakPolarHBondContact CB-OH 3.38Å; T362-Y408 HydrophobicContact CG2-CD1 4.3Å; T362-Y408 HydrophobicContact CG2-CD2 3.84Å; T362-Y408 HydrophobicContact CG2-CE1 4.15Å; T362-Y408 HydrophobicContact CG2-CE2 3.63Å; T362-Y408 HydrophobicContact CG2-CG 4.17Å; T362-Y408 VanDerWaalsContact OG1-CE2 3.23Å; T362-Y408 WeakPolarHBondContact OG1-CE2 3.48Å; E372-Y408 PolarHBondContact OE1-OH 3.2Å; E372-Y408 PolarHBondContact OE2-OH 3.21Å; I378-Y408 HydrophobicContact CD1-CD1 3.73Å; I378-Y408 HydrophobicContact CD1-CE1 3.38Å; I398-Y408 HydrophobicContact CG2-CG 4.44Å; T400-Y408 HydrophobicContact CG2-CD2 4Å; T400-Y408 WeakPolarHBondContact OG1-CD2 3.36Å; T400-Y408 WeakPolarHBondContact OG1-CE2 3.31Å; T404-Y408 HydrophobicContact CG2-CE2 4.33Å; T404-Y408 VanDerWaalsContact O-CD2 3.27Å; T404-Y408 WeakPolarHBondContact O-CD2 2.98Å; T404-Y408 PolarHBondContact O-N 2.88Å; E406-Y408 PolarHBondContact O-N 2.83Å; Y408-L411 HydrophobicContact CD1-CD2 4.1Å; Y408-M412 VanDerWaalsContact O-CB 3.27Å; Y408-M412 WeakPolarHBondContact O-CB 3.4Å; Y408-M412 VanDerWaalsContact O-CG 3.23Å; Y408-M412 WeakPolarHBondContact O-CG 3.42Å; Y408-M412 PolarHBondContact O-N 2.85Å
409M88.6Confident86.9Confident97 Ų9758.2 Ų58.248%0.47829%0.285SS..Hα-helixtrans-74.2-38.8170.3-170.9167.8175.800112.3V225 R405 E406 K407 M412 N413V225-M409 HydrophobicContact CG2-CB 4.34Å; R405-M409 WeakPolarHBondContact O-CB 3.19Å; R405-M409 PolarHBondContact O-N 3.43Å; E406-M409 PolarHBondContact O-N 3.35Å; K407-M409 VanDerWaalsContact C-N 3.25Å; K407-M409 PolarHBondContact O-N 3.08Å; M409-M412 PolarHBondContact O-N 2.91Å; M409-N413 PolarHBondContact O-N 3.33Å; M409-N413 VanDerWaalsContact O-N 3.08Å
410K84.9Confident86.8Confident109 Ų10958.3 Ų58.347%0.47429%0.286SS..Hα-helixtrans-65.2-44.6172.9-71.7174.5-177.2169.40112E406 K407 M412 N413 G414 I415E406-K410 PolarHBondContact O-N 3.09Å; E406-K410 WeakPolarHBondContact OE1-CE 3.25Å; E406-K410 IonicContact OE1-NZ 2.7Å; E406-K410 PolarHBondContact OE1-NZ 2.97Å; K407-K410 PolarHBondContact O-N 2.95Å; K410-M412 VanDerWaalsContact C-N 3.34Å; K410-M412 PolarHBondContact O-N 3.43Å; K410-N413 PolarHBondContact O-N 2.81Å; K410-G414 PolarHBondContact O-N 2.78Å; K410-I415 PolarHBondContact O-N 3.29Å
411L83.4Confident86.8Confident7 Ų758.7 Ų58.74%0.03729%0.288CS..Hα-helixtrans-56.8-47.3171173.360.3000111.3E375 I378 L379 K407 Y408 N413 G414E375-L411 HydrophobicContact CB-CD1 3.77Å; E375-L411 HydrophobicContact CB-CD2 4.14Å; E375-L411 HydrophobicContact CG-CD1 3.78Å; E375-L411 HydrophobicContact CG-CD2 3.88Å; E375-L411 HydrophobicContact CG-CG 4.41Å; I378-L411 HydrophobicContact CB-CD2 4.23Å; I378-L411 HydrophobicContact CD1-CD2 4.21Å; I378-L411 HydrophobicContact CG2-CD2 3.89Å; L379-L411 HydrophobicContact CD1-CD1 4.22Å; L379-L411 HydrophobicContact CG-CD1 4.36Å; K407-L411 PolarHBondContact O-N 2.95Å; Y408-L411 HydrophobicContact CD1-CD2 4.1Å; L411-N413 VanDerWaalsContact C-N 3.27Å; L411-N413 PolarHBondContact O-N 2.88Å; L411-G414 PolarHBondContact O-N 3.28Å
412M79.5Confident86.9Confident3 Ų357.8 Ų57.82%0.01528%0.284CS..Hα-helixtrans-63.8-32.1-178.4-85.5-78.483.300113.9K223 V225 L379 I382 I398 Y408 M409 K410 G414K223-M412 HydrophobicContact CB-CB 4.41Å; K223-M412 HydrophobicContact CB-CG 4.5Å; K223-M412 HydrophobicContact CB-SD 3.9Å; K223-M412 HydrophobicContact CD-CB 4.14Å; K223-M412 HydrophobicContact CD-CE 4.32Å; K223-M412 WeakPolarHBondContact CD-O 3.46Å; K223-M412 HydrophobicContact CD-SD 3.75Å; K223-M412 WeakPolarHBondContact CE-O 3.47Å; K223-M412 HydrophobicContact CG-SD 3.78Å; K223-M412 PolarHBondContact NZ-O 2.89Å; V225-M412 HydrophobicContact CG2-CG 4.14Å; L379-M412 HydrophobicContact CD2-CE 3.91Å; I382-M412 HydrophobicContact CB-CE 4.4Å; I382-M412 HydrophobicContact CD1-CE 3.52Å; I382-M412 HydrophobicContact CD1-SD 3.51Å; I382-M412 VanDerWaalsContact CD1-SD 3.51Å; I382-M412 HydrophobicContact CG2-CE 3.99Å; I382-M412 HydrophobicContact CG2-SD 4.33Å; I398-M412 HydrophobicContact CD1-CG 3.62Å; I398-M412 HydrophobicContact CD1-SD 4.04Å; Y408-M412 VanDerWaalsContact O-CB 3.27Å; Y408-M412 WeakPolarHBondContact O-CB 3.4Å; Y408-M412 VanDerWaalsContact O-CG 3.23Å; Y408-M412 WeakPolarHBondContact O-CG 3.42Å; Y408-M412 PolarHBondContact O-N 2.85Å; M409-M412 PolarHBondContact O-N 2.91Å; K410-M412 VanDerWaalsContact C-N 3.34Å; K410-M412 PolarHBondContact O-N 3.43Å; M412-G414 PolarHBondContact O-N 2.6Å
413N77.9Confident86.8Confident98 Ų9856.4 Ų56.452%0.52427%0.271SS..THydrogen-bonded Turntrans-79-4.2174.5-67.3-8.7000113.2M409 K410 L411 I415M409-N413 PolarHBondContact O-N 3.33Å; M409-N413 VanDerWaalsContact O-N 3.08Å; K410-N413 PolarHBondContact O-N 2.81Å; L411-N413 VanDerWaalsContact C-N 3.27Å; L411-N413 PolarHBondContact O-N 2.88Å; N413-I415 HydrophobicContact CB-CD1 3.68Å; N413-I415 HydrophobicContact CB-CG1 3.83Å
414G71Confident86.9Confident22 Ų2253.5 Ų53.523%0.22727%0.267CS..THydrogen-bonded Turntrans64.638.8177.800000113.2P191 K410 L411 M412P191-G414 WeakPolarHBondContact CG-O 3.5Å; K410-G414 PolarHBondContact O-N 2.78Å; L411-G414 PolarHBondContact O-N 3.28Å; M412-G414 PolarHBondContact O-N 2.6Å
415I71.8Confident86.9Confident107 Ų10755.9 Ų55.955%0.54928%0.277SS..  trans-90.8-12.1-177.2-59.2171.8000111.8K410 N413 I417K410-I415 PolarHBondContact O-N 3.29Å; N413-I415 HydrophobicContact CB-CD1 3.68Å; N413-I415 HydrophobicContact CB-CG1 3.83Å; I415-I417 PolarHBondContact O-N 2.61Å
416E76.8Confident86.9Confident76 Ų7650.2 Ų50.236%0.35526%0.255SS..  trans-80.3115.4-168.1-168.7142.7-135.600113P191P191-E416 VanDerWaalsContact CD-O 3.31Å; P191-E416 WeakPolarHBondContact CD-O 3.48Å; P191-E416 WeakPolarHBondContact CG-O 3.45Å
417I86.9Confident87.2Confident84 Ų8445.7 Ų45.743%0.43124%0.236SC..  trans-64139.6-178.7-62.8176.3000110.1N192 I415N192-I417 HydrophobicContact CB-CG2 4.36Å; I415-I417 PolarHBondContact O-N 2.61Å
418T90.1Very high87.4Confident2 Ų243.3 Ų43.31%0.01223%0.227CC..  trans-86.7119.7176.1-60.30000109.8V147 K148 N192 F453 R457V147-T418 HydrophobicContact CG1-CG2 3.43Å; V147-T418 VanDerWaalsContact CG1-CG2 3.43Å; K148-T418 HydrophobicContact CB-CG2 4.18Å; K148-T418 HydrophobicContact CD-CG2 4.31Å; N192-T418 PolarHBondContact ND2-O 3.07Å; N192-T418 PolarHBondContact OD1-N 3.29Å; T418-F453 HydrophobicContact CG2-CE1 4.14Å; T418-F453 HydrophobicContact CG2-CZ 4.37Å; T418-F453 WeakPolarHBondContact O-CZ 3.31Å; T418-R457 WeakPolarHBondContact O-CD 3.26Å; T418-R457 PolarHBondContact O-NE 3.09Å
419E93.1Very high87.5Confident18 Ų1843.5 Ų43.58%0.08423%0.228CC..  trans-107.8169.3-179.4-65.6-66.9178.300111.9K148 R457 N461 Y465K148-E419 VanDerWaalsContact CA-O 3.27Å; K148-E419 WeakPolarHBondContact CA-O 3.47Å; K148-E419 VanDerWaalsContact CB-O 3.31Å; K148-E419 WeakPolarHBondContact CB-O 3.34Å; E419-R457 VanDerWaalsContact CD-NH2 3.3Å; E419-R457 IonicContact OE1-CZ 2.61Å; E419-R457 IonicContact OE1-NE 2.71Å; E419-R457 IonicContact OE1-NH2 3.52Å; E419-R457 PolarHBondContact OE1-NH2 3.32Å; E419-R457 WeakPolarHBondContact OE2-CB 3.17Å; E419-R457 IonicContact OE2-CZ 2.67Å; E419-R457 IonicContact OE2-NE 2.69Å; E419-R457 PolarHBondContact OE2-NE 3.15Å; E419-R457 IonicContact OE2-NH2 3.77Å; E419-R457 PolarHBondContact OE2-NH2 2.97Å; E419-N461 PolarHBondContact OE1-ND2 3.08Å; E419-Y465 WeakPolarHBondContact CB-OH 3.44Å; E419-Y465 PolarHBondContact OE2-OH 3.49Å
420S94.8Very high87.8Confident2 Ų238.9 Ų38.91%0.01421%0.205CC..  trans-91.6138.2174.2170.10000112.1E157 L422 H423 L454 Y465E157-S420 VanDerWaalsContact CD-OG 3.3Å; E157-S420 PolarHBondContact OE1-OG 2.91Å; E157-S420 WeakPolarHBondContact OE2-CB 3.47Å; E157-S420 PolarHBondContact OE2-OG 3.31Å; S420-L422 WeakPolarHBondContact OG-CB 3.45Å; S420-L422 PolarHBondContact OG-N 2.79Å; S420-L422 VanDerWaalsContact OG-N 3.1Å; S420-H423 PolarHBondContact O-CE1 2.97Å; S420-H423 VanDerWaalsContact O-CE1 3.22Å; S420-H423 PolarHBondContact O-ND1 3.16Å; S420-L454 WeakPolarHBondContact OG-CB 3.33Å; S420-Y465 PolarHBondContact N-OH 2.95Å
421S93.6Very high88.3Confident7 Ų733.7 Ų33.75%0.04918%0.182CC..  trans-96.8-4.6171.353.30000113.9V147 D149 G153 A154 H423 S424V147-S421 PolarHBondContact O-OG 3.46Å; D149-S421 WeakPolarHBondContact O-CB 3.2Å; D149-S421 PolarHBondContact O-OG 3.16Å; D149-S421 VanDerWaalsContact O-OG 3.09Å; G153-S421 VanDerWaalsContact C-OG 3.3Å; G153-S421 WeakPolarHBondContact CA-OG 3.3Å; A154-S421 PolarHBondContact N-OG 2.82Å; S421-H423 VanDerWaalsContact C-N 3.33Å; S421-H423 PolarHBondContact O-N 3.17Å; S421-S424 PolarHBondContact O-N 3.33Å; S421-S424 VanDerWaalsContact O-N 3.13Å
422L94.8Very high88.7Confident0 Ų033.4 Ų33.40%018%0.181CC..G310 helixtrans-59.7-38.3-170.9178.156.1000113.8A154 E157 V158 S420 S424 H425 L426 H429 W448 T452 L454A154-L422 HydrophobicContact CB-CB 4.44Å; A154-L422 HydrophobicContact CB-CD1 4.11Å; E157-L422 HydrophobicContact CG-CD2 4.46Å; E157-L422 WeakPolarHBondContact OE1-CD2 3.36Å; V158-L422 HydrophobicContact CG2-CD1 3.44Å; V158-L422 VanDerWaalsContact CG2-CD1 3.44Å; V158-L422 HydrophobicContact CG2-CD2 4.13Å; V158-L422 HydrophobicContact CG2-CG 4.44Å; S420-L422 WeakPolarHBondContact OG-CB 3.45Å; S420-L422 PolarHBondContact OG-N 2.79Å; S420-L422 VanDerWaalsContact OG-N 3.1Å; L422-S424 PolarHBondContact O-N 3.28Å; L422-H425 CarbonylContact O-C 3.54Å; L422-H425 PolarHBondContact O-N 3.19Å; L422-L426 HydrophobicContact CG-CD1 4.36Å; L422-L426 PolarHBondContact O-N 3Å; L422-H429 HydrophobicContact CD1-CB 4.35Å; L422-W448 HydrophobicContact CD2-CH2 4.33Å; L422-T452 HydrophobicContact CD2-CG2 3.7Å; L422-L454 HydrophobicContact CB-CB 4.41Å; L422-L454 HydrophobicContact CB-CD2 4.35Å; L422-L454 HydrophobicContact CD2-CB 4.45Å; L422-L454 HydrophobicContact CG-CD2 4.38Å
423H92.4Very high89.3Confident61 Ų6133.2 Ų33.228%0.28218%0.18SC..G310 helixtrans-55.3-25.8178.766.7-85.8000113.8S420 S421 L454 Y465 L483S420-H423 PolarHBondContact O-CE1 2.97Å; S420-H423 VanDerWaalsContact O-CE1 3.22Å; S420-H423 PolarHBondContact O-ND1 3.16Å; S421-H423 VanDerWaalsContact C-N 3.33Å; S421-H423 PolarHBondContact O-N 3.17Å; H423-L454 HydrophobicContact CB-CD1 3.98Å; H423-L454 HydrophobicContact CB-CD2 4.03Å; H423-Y465 AromaticContact CE1-CE1 3.98Å; H423-Y465 AromaticContact CG-CD1 4Å; H423-Y465 AromaticContact ND1-CD1 3.54Å; H423-Y465 AromaticContact ND1-CE1 3.56Å; H423-L483 HydrophobicContact CB-CD2 4.39Å
424S90.8Very high90Very high77 Ų7728.6 Ų28.654%0.53816%0.155SC..G310 helixtrans-82-15.8178.5-70.90000114.1S421 L422S421-S424 PolarHBondContact O-N 3.33Å; S421-S424 VanDerWaalsContact O-N 3.13Å; L422-S424 PolarHBondContact O-N 3.28Å
425H91.4Very high91Very high66 Ų6628.6 Ų28.631%0.30615%0.151SC..SBendtrans-131.821.7-175.6-64.296.1000112.5A150 A154 L422 V427 E428 H429A150-H425 PolarHBondContact O-CE1 2.74Å; A150-H425 PolarHBondContact O-ND1 3.11Å; A154-H425 HydrophobicContact CB-CB 4.02Å; L422-H425 CarbonylContact O-C 3.54Å; L422-H425 PolarHBondContact O-N 3.19Å; H425-V427 PolarHBondContact O-N 3.45Å; H425-E428 PolarHBondContact O-N 2.71Å; H425-H429 PolarHBondContact O-CD2 3.17Å; H425-H429 VanDerWaalsContact O-CD2 3.29Å
426L93.7Very high91.6Very high5 Ų524.9 Ų24.93%0.02613%0.132CC..Hα-helixtrans-61.3-32.3-172.6-173.762.3000112.5L422 H429 L430 W448 L483 T487L422-L426 HydrophobicContact CG-CD1 4.36Å; L422-L426 PolarHBondContact O-N 3Å; L426-H429 PolarHBondContact O-N 3.47Å; L426-L430 WeakPolarHBondContact O-CB 3.17Å; L426-L430 PolarHBondContact O-N 2.61Å; L426-W448 HydrophobicContact CD1-CH2 4.21Å; L426-W448 HydrophobicContact CD1-CZ3 3.81Å; L426-L483 HydrophobicContact CD2-CD1 4.44Å; L426-L483 HydrophobicContact CD2-CD2 4.06Å; L426-L483 HydrophobicContact CD2-CG 3.78Å; L426-T487 HydrophobicContact CG-CG2 4.32Å
427V95.4Very high92.1Very high27 Ų2728.6 Ų28.616%0.16415%0.149CC..Hα-helixtrans-70-42-175.567.20000113H425 H429 N431 T487 L491 F521H425-V427 PolarHBondContact O-N 3.45Å; V427-H429 VanDerWaalsContact C-N 3.32Å; V427-H429 PolarHBondContact O-N 3.2Å; V427-N431 WeakPolarHBondContact O-CB 3.31Å; V427-N431 PolarHBondContact O-N 2.7Å; V427-T487 HydrophobicContact CB-CG2 3.77Å; V427-T487 HydrophobicContact CG2-CG2 4.02Å; V427-L491 HydrophobicContact CG2-CD2 3.47Å; V427-L491 VanDerWaalsContact CG2-CD2 3.47Å; V427-L491 HydrophobicContact CG2-CG 3.9Å; V427-F521 HydrophobicContact CG1-CB 3.74Å; V427-F521 HydrophobicContact CG1-CD1 4.25Å; V427-F521 HydrophobicContact CG1-CG 4.01Å; V427-F521 HydrophobicContact CG2-CB 4.15Å; V427-F521 HydrophobicContact CG2-CD1 4.17Å; V427-F521 HydrophobicContact CG2-CD2 3.6Å; V427-F521 HydrophobicContact CG2-CE1 4.48Å; V427-F521 HydrophobicContact CG2-CE2 3.96Å; V427-F521 HydrophobicContact CG2-CG 3.72Å; V427-F521 HydrophobicContact CG2-CZ 4.39Å
428E94.1Very high92Very high40 Ų4026.3 Ų26.319%0.18714%0.139CC..Hα-helixtrans-66.5-31.6174.8-74.572.8-161.100113.6R125 H425 M514 F521R125-E428 PolarHBondContact NH1-O 2.74Å; H425-E428 PolarHBondContact O-N 2.71Å; E428-M514 HydrophobicContact CB-CE 4.28Å; E428-M514 HydrophobicContact CG-CE 3.83Å; E428-F521 VanDerWaalsContact OE1-CB 3.31Å; E428-F521 WeakPolarHBondContact OE1-CB 3.48Å; E428-F521 PolarHBondContact OE1-N 2.62Å
429H93.4Very high92Very high6 Ų626.3 Ų26.33%0.02814%0.139CC..Hα-helixtrans-84.8-43.9-178.5-75.4-62.7000112.1D121 R125 T155 V158 L422 H425 L426 V427 N431 A432 E433 W448D121-H429 IonicContact OD2-CE1 2.71Å; R125-H429 PolarHBondContact NH2-CE1 2.76Å; R125-H429 PolarHBondContact NH2-ND1 2.87Å; T155-H429 PolarHBondContact OG1-CE1 3.16Å; T155-H429 PolarHBondContact OG1-NE2 2.74Å; V158-H429 HydrophobicContact CG1-CB 4.36Å; V158-H429 HydrophobicContact CG2-CB 3.78Å; L422-H429 HydrophobicContact CD1-CB 4.35Å; H425-H429 PolarHBondContact O-CD2 3.17Å; H425-H429 VanDerWaalsContact O-CD2 3.29Å; L426-H429 PolarHBondContact O-N 3.47Å; V427-H429 VanDerWaalsContact C-N 3.32Å; V427-H429 PolarHBondContact O-N 3.2Å; H429-N431 PolarHBondContact O-N 3.11Å; H429-A432 WeakPolarHBondContact O-CA 3.5Å; H429-A432 VanDerWaalsContact O-CB 3.23Å; H429-A432 WeakPolarHBondContact O-CB 3.39Å; H429-A432 PolarHBondContact O-N 2.88Å; H429-E433 PolarHBondContact O-N 3.05Å; H429-E433 VanDerWaalsContact O-N 3.07Å; H429-W448 HydrophobicContact CB-CH2 4.32Å
430L94.4Very high91.8Very high0 Ų028 Ų280%015%0.152CC..Hα-helixtrans-61.2-43.8178.6-168.965.2000111.5L426 A432 E433 I434 I439 A445 W448 T487 L488L426-L430 WeakPolarHBondContact O-CB 3.17Å; L426-L430 PolarHBondContact O-N 2.61Å; L430-A432 PolarHBondContact O-N 2.67Å; L430-E433 PolarHBondContact O-N 3.04Å; L430-I434 HydrophobicContact CG-CD1 4.09Å; L430-I434 VanDerWaalsContact O-CD1 3.3Å; L430-I434 WeakPolarHBondContact O-CD1 3.45Å; L430-I434 VanDerWaalsContact O-CG1 3.23Å; L430-I434 WeakPolarHBondContact O-CG1 3.31Å; L430-I434 PolarHBondContact O-N 3.41Å; L430-I434 VanDerWaalsContact O-N 3.12Å; L430-I439 HydrophobicContact CD1-CD1 3.56Å; L430-A445 HydrophobicContact CD1-CB 4.31Å; L430-W448 HydrophobicContact CD1-CE3 4.11Å; L430-W448 HydrophobicContact CD1-CZ3 4.06Å; L430-T487 HydrophobicContact CB-CG2 4.45Å; L430-T487 HydrophobicContact CD2-CG2 3.68Å; L430-L488 HydrophobicContact CD2-CD2 3.54Å; L430-L488 HydrophobicContact CD2-CG 3.82Å; L430-L488 HydrophobicContact CG-CD2 4.02Å
431N95.3Very high91.6Very high0 Ų029.3 Ų29.30%016%0.159CC..Hα-helixtrans-58.8-33.4171.3176.970.5000112.6V427 H429 V435 L491 G511V427-N431 WeakPolarHBondContact O-CB 3.31Å; V427-N431 PolarHBondContact O-N 2.7Å; H429-N431 PolarHBondContact O-N 3.11Å; N431-V435 WeakPolarHBondContact O-CB 3.47Å; N431-V435 WeakPolarHBondContact O-CG2 3.12Å; N431-V435 PolarHBondContact O-N 3.12Å; N431-L491 HydrophobicContact CB-CD1 3.97Å; N431-L491 HydrophobicContact CB-CD2 3.85Å; N431-G511 PolarHBondContact ND2-O 3.35Å; N431-G511 WeakPolarHBondContact OD1-CA 3.41Å
432A92.5Very high91.5Very high0 Ų029.5 Ų29.50%016%0.16CC..Hα-helixtrans-70.5-45.2179.800000112.5R125 H429 L430 I434 V435 L436R125-A432 HydrophobicContact CG-CB 4.38Å; R125-A432 VanDerWaalsContact CZ-CB 3.4Å; R125-A432 VanDerWaalsContact NH1-CB 3.29Å; H429-A432 WeakPolarHBondContact O-CA 3.5Å; H429-A432 VanDerWaalsContact O-CB 3.23Å; H429-A432 WeakPolarHBondContact O-CB 3.39Å; H429-A432 PolarHBondContact O-N 2.88Å; L430-A432 PolarHBondContact O-N 2.67Å; A432-I434 VanDerWaalsContact C-N 3.32Å; A432-I434 PolarHBondContact O-N 3.29Å; A432-V435 PolarHBondContact O-N 3.36Å; A432-L436 WeakPolarHBondContact O-CB 3.42Å; A432-L436 WeakPolarHBondContact O-CG 3.14Å; A432-L436 PolarHBondContact O-N 2.8Å
433E91.3Very high91.2Very high0 Ų034.7 Ų34.70%019%0.188CC..Hα-helixtrans-67.4-33.7178.1-55.7-42.7129.500112.2V158 R162 H429 L430 L436 Q437 T438 I439 W448V158-E433 WeakPolarHBondContact CG1-OE1 3.49Å; R162-E433 IonicContact CZ-OE1 3.63Å; R162-E433 VanDerWaalsContact CZ-OE1 3.27Å; R162-E433 IonicContact CZ-OE2 3.21Å; R162-E433 IonicContact NE-OE1 2.67Å; R162-E433 PolarHBondContact NE-OE1 2.91Å; R162-E433 VanDerWaalsContact NE-OE1 3.11Å; R162-E433 IonicContact NE-OE2 3.3Å; R162-E433 PolarHBondContact NE-OE2 3.09Å; R162-E433 IonicContact NH2-OE1 3.72Å; R162-E433 PolarHBondContact NH2-OE1 3.32Å; R162-E433 IonicContact NH2-OE2 2.73Å; H429-E433 PolarHBondContact O-N 3.05Å; H429-E433 VanDerWaalsContact O-N 3.07Å; L430-E433 PolarHBondContact O-N 3.04Å; E433-L436 CarbonylContact O-C 3.52Å; E433-L436 PolarHBondContact O-N 3Å; E433-Q437 PolarHBondContact O-N 2.87Å; E433-Q437 VanDerWaalsContact O-N 3.09Å; E433-T438 PolarHBondContact O-N 2.93Å; E433-I439 HydrophobicContact CB-CD1 3.69Å; E433-I439 HydrophobicContact CB-CG1 3.98Å; E433-I439 HydrophobicContact CG-CD1 4.41Å; E433-I439 PolarHBondContact O-N 3.05Å; E433-W448 HydrophobicContact CG-CD2 4.37Å; E433-W448 HydrophobicContact CG-CZ2 3.79Å
434I92.6Very high91.1Very high0 Ų035.4 Ų35.40%019%0.192CC..Hα-helixtrans-65.7-43.8171.8-65.2160.9000110.7L430 A432 L436 Q437 I439 L488 L491 I497 I505 P507L430-I434 HydrophobicContact CG-CD1 4.09Å; L430-I434 VanDerWaalsContact O-CD1 3.3Å; L430-I434 WeakPolarHBondContact O-CD1 3.45Å; L430-I434 VanDerWaalsContact O-CG1 3.23Å; L430-I434 WeakPolarHBondContact O-CG1 3.31Å; L430-I434 PolarHBondContact O-N 3.41Å; L430-I434 VanDerWaalsContact O-N 3.12Å; A432-I434 VanDerWaalsContact C-N 3.32Å; A432-I434 PolarHBondContact O-N 3.29Å; I434-L436 VanDerWaalsContact C-N 3.28Å; I434-L436 PolarHBondContact O-N 3.47Å; I434-Q437 PolarHBondContact O-N 3.1Å; I434-Q437 VanDerWaalsContact O-N 3.12Å; I434-I439 HydrophobicContact CG1-CB 3.92Å; I434-I439 HydrophobicContact CG1-CG2 3.87Å; I434-L488 HydrophobicContact CD1-CD2 3.68Å; I434-L491 HydrophobicContact CD1-CD1 4.39Å; I434-I497 HydrophobicContact CD1-CD1 4.35Å; I434-I497 HydrophobicContact CD1-CG2 4.23Å; I434-I497 HydrophobicContact CG2-CG2 4Å; I434-I505 HydrophobicContact CD1-CG2 3.94Å; I434-I505 HydrophobicContact CG1-CG2 4.21Å; I434-I505 HydrophobicContact CG2-CG2 3.72Å; I434-P507 HydrophobicContact CG2-CB 4.07Å; I434-P507 HydrophobicContact CG2-CG 4.3Å
435V91.5Very high91.2Very high23 Ų2331.7 Ų31.714%0.13917%0.167CC..Hα-helixtrans-62.4-35174164.30000112.3N431 A432 Q437 P507 R512 A515N431-V435 WeakPolarHBondContact O-CB 3.47Å; N431-V435 WeakPolarHBondContact O-CG2 3.12Å; N431-V435 PolarHBondContact O-N 3.12Å; A432-V435 PolarHBondContact O-N 3.36Å; V435-Q437 VanDerWaalsContact C-N 3.27Å; V435-Q437 PolarHBondContact O-N 3.06Å; V435-P507 HydrophobicContact CG2-CB 3.74Å; V435-R512 HydrophobicContact CG1-CB 4.41Å; V435-R512 HydrophobicContact CG1-CG 4.12Å; V435-R512 HydrophobicContact CG2-CB 4.46Å; V435-R512 HydrophobicContact CG2-CG 4.12Å; V435-A515 HydrophobicContact CB-CB 3.99Å; V435-A515 HydrophobicContact CG1-CB 3.9Å; V435-A515 HydrophobicContact CG2-CB 3.96Å
436L85.8Confident91.1Very high28 Ų2829.3 Ų29.315%0.14716%0.156CC..THydrogen-bonded Turntrans-80.30.1175.5-75.5169.4000114.1R125 A432 E433 I434 T438R125-L436 HydrophobicContact CG-CD1 4.37Å; A432-L436 WeakPolarHBondContact O-CB 3.42Å; A432-L436 WeakPolarHBondContact O-CG 3.14Å; A432-L436 PolarHBondContact O-N 2.8Å; E433-L436 CarbonylContact O-C 3.52Å; E433-L436 PolarHBondContact O-N 3Å; I434-L436 VanDerWaalsContact C-N 3.28Å; I434-L436 PolarHBondContact O-N 3.47Å; L436-T438 PolarHBondContact O-N 3.48Å; L436-T438 VanDerWaalsContact O-N 3.1Å
437Q86.3Confident90.9Very high155 Ų15533.3 Ų33.372%0.72418%0.177SC*.THydrogen-bonded Turntrans56.322.2-176.1-52.5-177.1-64.900114E433 I434 V435 I439E433-Q437 PolarHBondContact O-N 2.87Å; E433-Q437 VanDerWaalsContact O-N 3.09Å; I434-Q437 PolarHBondContact O-N 3.1Å; I434-Q437 VanDerWaalsContact O-N 3.12Å; V435-Q437 VanDerWaalsContact C-N 3.27Å; V435-Q437 PolarHBondContact O-N 3.06Å; Q437-I439 VanDerWaalsContact C-N 3.25Å
438T84.3Confident90.7Very high36 Ų3632.5 Ų32.522%0.22117%0.172CC..SBendtrans-78.1-17.3169.3-60.60000111A165 E433 L436 M444A165-T438 HydrophobicContact CB-CG2 4.39Å; E433-T438 PolarHBondContact O-N 2.93Å; L436-T438 PolarHBondContact O-N 3.48Å; L436-T438 VanDerWaalsContact O-N 3.1Å; T438-M444 WeakPolarHBondContact O-CE 3.41Å
439I89.9Confident90.7Very high1 Ų130.9 Ų30.91%0.00516%0.164CC..  trans-130.6118.9170.5-63.1172.6000107.8L430 E433 I434 Q437 D441 M444 A445 W448 I505L430-I439 HydrophobicContact CD1-CD1 3.56Å; E433-I439 HydrophobicContact CB-CD1 3.69Å; E433-I439 HydrophobicContact CB-CG1 3.98Å; E433-I439 HydrophobicContact CG-CD1 4.41Å; E433-I439 PolarHBondContact O-N 3.05Å; I434-I439 HydrophobicContact CG1-CB 3.92Å; I434-I439 HydrophobicContact CG1-CG2 3.87Å; Q437-I439 VanDerWaalsContact C-N 3.25Å; I439-D441 WeakPolarHBondContact CG2-O 3.13Å; I439-M444 HydrophobicContact CG2-CB 4.43Å; I439-A445 HydrophobicContact CD1-CB 4.23Å; I439-A445 HydrophobicContact CG2-CB 3.76Å; I439-W448 HydrophobicContact CD1-CB 3.96Å; I439-W448 HydrophobicContact CD1-CD2 4.01Å; I439-W448 HydrophobicContact CD1-CE3 4.08Å; I439-W448 HydrophobicContact CD1-CG 3.94Å; I439-W448 HydrophobicContact CG1-CB 4.14Å; I439-W448 HydrophobicContact CG1-CG 4.39Å; I439-I505 HydrophobicContact CG2-CD1 4.19Å
440S90Very high90.6Very high53 Ų5335.2 Ų35.237%0.37118%0.18SC..SBendtrans-114.5-5174.150.30000114.6M444 N504 I505S440-M444 PolarHBondContact OG-SD 2.92Å; S440-N504 CarbonylContact O-C 3.58Å; S440-N504 WeakPolarHBondContact O-CA 3.33Å; S440-I505 PolarHBondContact O-N 3.25Å
441D91.3Very high90.4Very high30 Ų3036.6 Ų36.616%0.1619%0.19CC..BIsolated β-bridgetrans-157.4172179.863.482.4000110.7I439 N443 M444 A445 I505I439-D441 WeakPolarHBondContact CG2-O 3.13Å; D441-N443 PolarHBondContact O-N 3.18Å; D441-N443 WeakPolarHBondContact OD1-CA 3.47Å; D441-N443 VanDerWaalsContact OD1-CB 3.29Å; D441-N443 WeakPolarHBondContact OD1-CB 3.44Å; D441-N443 PolarHBondContact OD1-N 2.81Å; D441-M444 PolarHBondContact OD1-N 2.82Å; D441-M444 VanDerWaalsContact OD2-CG 3.26Å; D441-M444 WeakPolarHBondContact OD2-CG 3.4Å; D441-A445 PolarHBondContact O-N 3.44Å; D441-A445 VanDerWaalsContact O-N 3.15Å; D441-I505 VanDerWaalsContact C-CD1 3.45Å
442V90.1Very high90.3Very high11 Ų1136.6 Ų36.67%0.06719%0.19CC..Hα-helixtrans-64.9-33.5-179.11650000113.2A445 L446 L485 L488 I503 I505V442-A445 WeakPolarHBondContact O-CB 3.35Å; V442-A445 PolarHBondContact O-N 3.25Å; V442-L446 WeakPolarHBondContact O-CG 3.15Å; V442-L446 PolarHBondContact O-N 2.73Å; V442-L446 VanDerWaalsContact O-N 3.09Å; V442-L485 HydrophobicContact CG1-CD2 3.91Å; V442-L485 HydrophobicContact CG2-CD2 4.11Å; V442-L488 HydrophobicContact CG2-CD1 3.69Å; V442-I503 HydrophobicContact CB-CG2 3.74Å; V442-I503 HydrophobicContact CG2-CG2 3.39Å; V442-I505 HydrophobicContact CG2-CD1 4.15Å
443N89.4Confident90.5Very high109 Ų10936.6 Ų36.658%0.58319%0.19SC*.Hα-helixtrans-70-43.9-178.8-55.4-64.6000110.3D441 A445 L446 D447D441-N443 PolarHBondContact O-N 3.18Å; D441-N443 WeakPolarHBondContact OD1-CA 3.47Å; D441-N443 VanDerWaalsContact OD1-CB 3.29Å; D441-N443 WeakPolarHBondContact OD1-CB 3.44Å; D441-N443 PolarHBondContact OD1-N 2.81Å; N443-A445 PolarHBondContact O-N 2.9Å; N443-L446 PolarHBondContact O-N 3.43Å; N443-D447 PolarHBondContact O-N 2.7Å
444M90.4Very high90.7Very high76 Ų7636.7 Ų36.737%0.37419%0.19SC..Hα-helixtrans-58.3-32.7170.2-71-171.979.900112.7T438 I439 S440 D441 W448T438-M444 WeakPolarHBondContact O-CE 3.41Å; I439-M444 HydrophobicContact CG2-CB 4.43Å; S440-M444 PolarHBondContact OG-SD 2.92Å; D441-M444 PolarHBondContact OD1-N 2.82Å; D441-M444 VanDerWaalsContact OD2-CG 3.26Å; D441-M444 WeakPolarHBondContact OD2-CG 3.4Å; M444-W448 VanDerWaalsContact O-CB 3.25Å; M444-W448 WeakPolarHBondContact O-CB 3.28Å; M444-W448 PolarHBondContact O-N 3.19Å
445A91.6Very high90.8Very high0 Ų037.5 Ų37.50%019%0.193CC..Hα-helixtrans-67.2-36.9174.200000112.7L430 I439 D441 V442 N443 I449L430-A445 HydrophobicContact CD1-CB 4.31Å; I439-A445 HydrophobicContact CD1-CB 4.23Å; I439-A445 HydrophobicContact CG2-CB 3.76Å; D441-A445 PolarHBondContact O-N 3.44Å; D441-A445 VanDerWaalsContact O-N 3.15Å; V442-A445 WeakPolarHBondContact O-CB 3.35Å; V442-A445 PolarHBondContact O-N 3.25Å; N443-A445 PolarHBondContact O-N 2.9Å; A445-I449 WeakPolarHBondContact O-CG1 3.46Å; A445-I449 PolarHBondContact O-N 3.27Å; A445-I449 VanDerWaalsContact O-N 3.09Å
446L90Very high90.9Very high15 Ų1537.8 Ų37.88%0.07919%0.194CC..Hα-helixtrans-72-40.9175.1-60.4177.8000111.9V442 N443 W448 I449 R450 Q481 C484V442-L446 WeakPolarHBondContact O-CG 3.15Å; V442-L446 PolarHBondContact O-N 2.73Å; V442-L446 VanDerWaalsContact O-N 3.09Å; N443-L446 PolarHBondContact O-N 3.43Å; L446-W448 VanDerWaalsContact C-N 3.35Å; L446-I449 WeakPolarHBondContact O-CB 3.36Å; L446-I449 PolarHBondContact O-N 2.67Å; L446-R450 WeakPolarHBondContact O-CG 3.29Å; L446-R450 PolarHBondContact O-N 3.27Å; L446-Q481 HydrophobicContact CD1-CB 4.37Å; L446-Q481 HydrophobicContact CD1-CG 3.92Å; L446-Q481 HydrophobicContact CD2-CB 3.79Å; L446-Q481 HydrophobicContact CD2-CG 3.91Å; L446-C484 HydrophobicContact CD2-CB 3.91Å
447D89.6Confident91.4Very high89 Ų8937 Ų3748%0.47619%0.189SC..Hα-helixtrans-69.2-33.7176.3-70.6-24000112.3N443 R450 S451N443-D447 PolarHBondContact O-N 2.7Å; D447-R450 PolarHBondContact O-N 3.3Å; D447-R450 IonicContact OD1-CZ 3.59Å; D447-R450 IonicContact OD1-NE 2.7Å; D447-R450 IonicContact OD1-NH1 3.35Å; D447-R450 PolarHBondContact OD1-NH1 3.29Å; D447-S451 PolarHBondContact O-N 3.18Å
448W91.7Very high91.8Very high11 Ų1129.6 Ų29.64%0.04215%0.154CC..Hα-helixtrans-59.9-48.1167.117877.9000111V158 L422 L426 H429 L430 E433 I439 M444 L446 R450 S451 T452V158-W448 HydrophobicContact CB-CZ2 4.38Å; V158-W448 HydrophobicContact CG1-CZ2 4.02Å; V158-W448 HydrophobicContact CG2-CH2 4.03Å; V158-W448 HydrophobicContact CG2-CZ2 3.73Å; L422-W448 HydrophobicContact CD2-CH2 4.33Å; L426-W448 HydrophobicContact CD1-CH2 4.21Å; L426-W448 HydrophobicContact CD1-CZ3 3.81Å; H429-W448 HydrophobicContact CB-CH2 4.32Å; L430-W448 HydrophobicContact CD1-CE3 4.11Å; L430-W448 HydrophobicContact CD1-CZ3 4.06Å; E433-W448 HydrophobicContact CG-CD2 4.37Å; E433-W448 HydrophobicContact CG-CZ2 3.79Å; I439-W448 HydrophobicContact CD1-CB 3.96Å; I439-W448 HydrophobicContact CD1-CD2 4.01Å; I439-W448 HydrophobicContact CD1-CE3 4.08Å; I439-W448 HydrophobicContact CD1-CG 3.94Å; I439-W448 HydrophobicContact CG1-CB 4.14Å; I439-W448 HydrophobicContact CG1-CG 4.39Å; M444-W448 VanDerWaalsContact O-CB 3.25Å; M444-W448 WeakPolarHBondContact O-CB 3.28Å; M444-W448 PolarHBondContact O-N 3.19Å; L446-W448 VanDerWaalsContact C-N 3.35Å; W448-R450 VanDerWaalsContact C-N 3.32Å; W448-R450 PolarHBondContact O-N 3.34Å; W448-S451 WeakPolarHBondContact O-CB 3.49Å; W448-S451 PolarHBondContact O-N 2.92Å; W448-S451 PolarHBondContact O-OG 3.46Å; W448-T452 WeakPolarHBondContact O-CG2 3.26Å
449I93.1Very high92.2Very high5 Ų530.5 Ų30.53%0.02616%0.158CC..Hα-helixtrans-57.9-43174.3-71170.4000111.2A445 L446 S451 T452 Y455 L480 C484A445-I449 WeakPolarHBondContact O-CG1 3.46Å; A445-I449 PolarHBondContact O-N 3.27Å; A445-I449 VanDerWaalsContact O-N 3.09Å; L446-I449 WeakPolarHBondContact O-CB 3.36Å; L446-I449 PolarHBondContact O-N 2.67Å; I449-S451 PolarHBondContact O-N 2.82Å; I449-S451 VanDerWaalsContact O-N 3.13Å; I449-T452 WeakPolarHBondContact O-CB 3.38Å; I449-T452 PolarHBondContact O-N 2.96Å; I449-T452 PolarHBondContact O-OG1 3.04Å; I449-Y455 WeakPolarHBondContact O-CB 3.32Å; I449-L480 HydrophobicContact CG2-CB 4.39Å; I449-L480 HydrophobicContact CG2-CD1 4.37Å; I449-C484 HydrophobicContact CD1-CB 3.59Å
450R91.2Very high92.4Very high97 Ų9735.1 Ų35.137%0.36618%0.178SC..Hα-helixtrans-58.5-23.7176-71.2172.8178.3119.64.5113.6L446 D447 W448 Y455 E477L446-R450 WeakPolarHBondContact O-CG 3.29Å; L446-R450 PolarHBondContact O-N 3.27Å; D447-R450 PolarHBondContact O-N 3.3Å; D447-R450 IonicContact OD1-CZ 3.59Å; D447-R450 IonicContact OD1-NE 2.7Å; D447-R450 IonicContact OD1-NH1 3.35Å; D447-R450 PolarHBondContact OD1-NH1 3.29Å; W448-R450 VanDerWaalsContact C-N 3.32Å; W448-R450 PolarHBondContact O-N 3.34Å; R450-Y455 HydrophobicContact CG-CD2 4.1Å; R450-Y455 HydrophobicContact CG-CE2 3.87Å; R450-Y455 WeakPolarHBondContact O-CD1 3.29Å; R450-E477 IonicContact CZ-OE2 3Å; R450-E477 IonicContact NE-OE2 3.19Å; R450-E477 PolarHBondContact NE-OE2 2.98Å; R450-E477 VanDerWaalsContact NE-OE2 3.12Å; R450-E477 IonicContact NH2-OE2 2.83Å; R450-E477 PolarHBondContact NH2-OE2 3.28Å
451S90.2Very high92.5Very high29 Ų2934.9 Ų34.920%0.20317%0.172CC..THydrogen-bonded Turntrans-81.1-10.217680.90000115W199 D447 W448 I449W199-S451 VanDerWaalsContact CD1-O 3.23Å; W199-S451 PolarHBondContact NE1-O 2.91Å; W199-S451 VanDerWaalsContact NE1-O 3.12Å; D447-S451 PolarHBondContact O-N 3.18Å; W448-S451 WeakPolarHBondContact O-CB 3.49Å; W448-S451 PolarHBondContact O-N 2.92Å; W448-S451 PolarHBondContact O-OG 3.46Å; I449-S451 PolarHBondContact O-N 2.82Å; I449-S451 VanDerWaalsContact O-N 3.13Å
452T94.6Very high92.6Very high0 Ų034.2 Ų34.20%017%0.169CC..SBendtrans-89165.1-173.668.80000113.8E157 W199 L422 W448 I449 L454 Y455E157-T452 WeakPolarHBondContact OE1-CB 3.37Å; W199-T452 VanDerWaalsContact CD1-C 3.43Å; L422-T452 HydrophobicContact CD2-CG2 3.7Å; W448-T452 WeakPolarHBondContact O-CG2 3.26Å; I449-T452 WeakPolarHBondContact O-CB 3.38Å; I449-T452 PolarHBondContact O-N 2.96Å; I449-T452 PolarHBondContact O-OG1 3.04Å; T452-L454 VanDerWaalsContact C-N 3.31Å; T452-Y455 PolarHBondContact O-N 3.34Å; T452-Y455 PolarHBondContact OG1-N 3.33Å
453F95.3Very high92.8Very high0 Ų037.1 Ų37.10%019%0.19CC..Hα-helixtrans-71.9-29.9174.3-173.6-124.9000111.4V147 E157 D195 I196 W199 T418 Y455 I456 R457V147-F453 HydrophobicContact CG1-CD1 3.86Å; V147-F453 HydrophobicContact CG1-CE1 3.72Å; V147-F453 HydrophobicContact CG2-CB 4.46Å; V147-F453 HydrophobicContact CG2-CD1 3.82Å; V147-F453 HydrophobicContact CG2-CG 4.46Å; E157-F453 HydrophobicContact CG-CB 3.83Å; E157-F453 WeakPolarHBondContact OE1-CA 3.37Å; E157-F453 PolarHBondContact OE1-N 2.94Å; D195-F453 HydrophobicContact CB-CE2 3.78Å; D195-F453 HydrophobicContact CB-CZ 4.41Å; I196-F453 HydrophobicContact CD1-CD2 4.08Å; I196-F453 HydrophobicContact CD1-CE1 4.18Å; I196-F453 HydrophobicContact CD1-CE2 3.49Å; I196-F453 VanDerWaalsContact CD1-CE2 3.49Å; I196-F453 HydrophobicContact CD1-CZ 3.54Å; I196-F453 HydrophobicContact CG1-CE2 4.24Å; I196-F453 HydrophobicContact CG1-CZ 4.41Å; W199-F453 HydrophobicContact CB-CD2 3.98Å; W199-F453 HydrophobicContact CD2-CB 3.79Å; W199-F453 HydrophobicContact CD2-CD2 4.25Å; W199-F453 HydrophobicContact CD2-CG 4.37Å; W199-F453 HydrophobicContact CE3-CB 4.17Å; W199-F453 HydrophobicContact CE3-CD2 4.23Å; W199-F453 HydrophobicContact CE3-CG 4.37Å; W199-F453 HydrophobicContact CG-CB 4Å; W199-F453 HydrophobicContact CG-CD2 4.15Å; W199-F453 HydrophobicContact CZ2-CB 4.42Å; T418-F453 HydrophobicContact CG2-CE1 4.14Å; T418-F453 HydrophobicContact CG2-CZ 4.37Å; T418-F453 WeakPolarHBondContact O-CZ 3.31Å; F453-Y455 VanDerWaalsContact C-N 3.25Å; F453-Y455 PolarHBondContact O-N 2.79Å; F453-I456 PolarHBondContact O-N 2.81Å; F453-R457 HydrophobicContact CD1-CG 3.9Å; F453-R457 HydrophobicContact CD2-CG 4.13Å; F453-R457 HydrophobicContact CE1-CG 3.54Å; F453-R457 HydrophobicContact CE2-CG 3.79Å; F453-R457 HydrophobicContact CG-CG 4.19Å; F453-R457 HydrophobicContact CZ-CG 3.48Å; F453-R457 VanDerWaalsContact CZ-CG 3.48Å; F453-R457 WeakPolarHBondContact O-CB 3.21Å; F453-R457 PolarHBondContact O-N 3.31Å
454L95.8Very high92.9Very high2 Ų236.2 Ų36.21%0.0118%0.182CC..Hα-helixtrans-52.6-40.8171.6179.760.7000112.2E157 S420 L422 H423 T452 A458 Y465 L480E157-L454 WeakPolarHBondContact OE1-CB 3.46Å; E157-L454 PolarHBondContact OE1-N 2.58Å; S420-L454 WeakPolarHBondContact OG-CB 3.33Å; L422-L454 HydrophobicContact CB-CB 4.41Å; L422-L454 HydrophobicContact CB-CD2 4.35Å; L422-L454 HydrophobicContact CD2-CB 4.45Å; L422-L454 HydrophobicContact CG-CD2 4.38Å; H423-L454 HydrophobicContact CB-CD1 3.98Å; H423-L454 HydrophobicContact CB-CD2 4.03Å; T452-L454 VanDerWaalsContact C-N 3.31Å; L454-A458 WeakPolarHBondContact O-CB 3.37Å; L454-A458 PolarHBondContact O-N 2.99Å; L454-Y465 HydrophobicContact CD1-CD1 3.49Å; L454-Y465 VanDerWaalsContact CD1-CD1 3.49Å; L454-Y465 HydrophobicContact CD1-CE1 3.42Å; L454-Y465 VanDerWaalsContact CD1-CE1 3.42Å; L454-Y465 HydrophobicContact CD1-CG 4.3Å; L454-L480 HydrophobicContact CG-CD2 4.37Å
455Y95.2Very high92.9Very high18 Ų1833.7 Ų33.77%0.07117%0.169CC..Hα-helixtrans-63.9-50.7176.2177.5-106.6000112I449 R450 T452 F453 R457 A458 L459 R473 E477 L480I449-Y455 WeakPolarHBondContact O-CB 3.32Å; R450-Y455 HydrophobicContact CG-CD2 4.1Å; R450-Y455 HydrophobicContact CG-CE2 3.87Å; R450-Y455 WeakPolarHBondContact O-CD1 3.29Å; T452-Y455 PolarHBondContact O-N 3.34Å; T452-Y455 PolarHBondContact OG1-N 3.33Å; F453-Y455 VanDerWaalsContact C-N 3.25Å; F453-Y455 PolarHBondContact O-N 2.79Å; Y455-R457 VanDerWaalsContact C-N 3.3Å; Y455-R457 PolarHBondContact O-N 2.8Å; Y455-A458 PolarHBondContact O-N 2.92Å; Y455-L459 HydrophobicContact CD1-CD1 4.25Å; Y455-L459 HydrophobicContact CE1-CD1 3.77Å; Y455-L459 HydrophobicContact CE2-CD1 4.07Å; Y455-L459 WeakPolarHBondContact O-CG 3.17Å; Y455-L459 PolarHBondContact O-N 2.8Å; Y455-R473 PolarHBondContact OH-NE 3.18Å; Y455-R473 PolarHBondContact OH-NH2 3.18Å; Y455-E477 HydrophobicContact CE2-CG 3.83Å; Y455-E477 PolarHBondContact OH-OE1 3.44Å; Y455-L480 HydrophobicContact CD2-CD1 3.78Å
456I94.3Very high92.9Very high28 Ų2837.1 Ų37.114%0.14420%0.204CC..Hα-helixtrans-59-41.8178.4-55.8-59.5000111.1D195 D198 W199 F453 K460D195-I456 HydrophobicContact CB-CG2 3.96Å; D198-I456 HydrophobicContact CB-CD1 4.35Å; D198-I456 HydrophobicContact CB-CG2 4.31Å; W199-I456 HydrophobicContact CB-CG1 4.15Å; F453-I456 PolarHBondContact O-N 2.81Å; I456-K460 HydrophobicContact CG2-CD 4.38Å; I456-K460 WeakPolarHBondContact O-CG 3.38Å; I456-K460 PolarHBondContact O-N 2.94Å
457R95.3Very high93Very high12 Ų1237.8 Ų37.85%0.04521%0.206CC..Hα-helixtrans-78.6-35.3-178.9-69.6-54.2-50.7148.47.1113.9D195 T418 E419 F453 Y455 L459 K460 N461 Y465D195-R457 VanDerWaalsContact OD2-CD 3.32Å; D195-R457 WeakPolarHBondContact OD2-CD 3.22Å; D195-R457 IonicContact OD2-CZ 3.67Å; D195-R457 IonicContact OD2-NE 3.6Å; D195-R457 IonicContact OD2-NH1 2.64Å; D195-R457 PolarHBondContact OD2-NH1 3.22Å; T418-R457 WeakPolarHBondContact O-CD 3.26Å; T418-R457 PolarHBondContact O-NE 3.09Å; E419-R457 VanDerWaalsContact CD-NH2 3.3Å; E419-R457 IonicContact OE1-CZ 2.61Å; E419-R457 IonicContact OE1-NE 2.71Å; E419-R457 IonicContact OE1-NH2 3.52Å; E419-R457 PolarHBondContact OE1-NH2 3.32Å; E419-R457 WeakPolarHBondContact OE2-CB 3.17Å; E419-R457 IonicContact OE2-CZ 2.67Å; E419-R457 IonicContact OE2-NE 2.69Å; E419-R457 PolarHBondContact OE2-NE 3.15Å; E419-R457 IonicContact OE2-NH2 3.77Å; E419-R457 PolarHBondContact OE2-NH2 2.97Å; F453-R457 HydrophobicContact CD1-CG 3.9Å; F453-R457 HydrophobicContact CD2-CG 4.13Å; F453-R457 HydrophobicContact CE1-CG 3.54Å; F453-R457 HydrophobicContact CE2-CG 3.79Å; F453-R457 HydrophobicContact CG-CG 4.19Å; F453-R457 HydrophobicContact CZ-CG 3.48Å; F453-R457 VanDerWaalsContact CZ-CG 3.48Å; F453-R457 WeakPolarHBondContact O-CB 3.21Å; F453-R457 PolarHBondContact O-N 3.31Å; Y455-R457 VanDerWaalsContact C-N 3.3Å; Y455-R457 PolarHBondContact O-N 2.8Å; R457-L459 VanDerWaalsContact C-N 3.27Å; R457-L459 PolarHBondContact O-N 3.3Å; R457-K460 PolarHBondContact O-N 3.41Å; R457-K460 VanDerWaalsContact O-N 3.11Å; R457-N461 PolarHBondContact O-N 3.1Å; R457-Y465 HydrophobicContact CB-CE2 3.99Å; R457-Y465 VanDerWaalsContact CB-OH 3.25Å; R457-Y465 WeakPolarHBondContact CB-OH 3.25Å
458A94.6Very high93Very high0 Ų036.7 Ų36.70%021%0.205CC..Hα-helixtrans-61.9-35.9174.100000112.1L454 Y455 P462 Y465 F467 I476 L480L454-A458 WeakPolarHBondContact O-CB 3.37Å; L454-A458 PolarHBondContact O-N 2.99Å; Y455-A458 PolarHBondContact O-N 2.92Å; A458-P462 WeakPolarHBondContact O-CA 3.06Å; A458-P462 WeakPolarHBondContact O-CB 3.21Å; A458-P462 WeakPolarHBondContact O-CD 3.34Å; A458-Y465 HydrophobicContact CB-CD2 4.29Å; A458-F467 HydrophobicContact CB-CD2 4.48Å; A458-F467 HydrophobicContact CB-CE2 4.08Å; A458-I476 HydrophobicContact CB-CG2 4.05Å; A458-L480 HydrophobicContact CB-CD1 4.16Å; A458-L480 HydrophobicContact CB-CD2 4.25Å
459L93.6Very high92.6Very high55 Ų5539.3 Ų39.329%0.28823%0.229SC..Hα-helixtrans-70.3-28.1173.8-69.1174000113.6Y455 R457 R473 I476Y455-L459 HydrophobicContact CD1-CD1 4.25Å; Y455-L459 HydrophobicContact CE1-CD1 3.77Å; Y455-L459 HydrophobicContact CE2-CD1 4.07Å; Y455-L459 WeakPolarHBondContact O-CG 3.17Å; Y455-L459 PolarHBondContact O-N 2.8Å; R457-L459 VanDerWaalsContact C-N 3.27Å; R457-L459 PolarHBondContact O-N 3.3Å; L459-R473 HydrophobicContact CD2-CB 4.36Å; L459-R473 HydrophobicContact CD2-CG 3.96Å; L459-I476 HydrophobicContact CD2-CB 4.08Å; L459-I476 HydrophobicContact CD2-CD1 4.24Å; L459-I476 HydrophobicContact CD2-CG2 3.91Å
460K93.4Very high92.4Very high98 Ų9846.4 Ų46.443%0.42627%0.267SS..Hα-helixtrans-100.4-18.9-175.9-64.8-176.9-167.3-167.20114.3D195 D198 I456 R457D195-K460 VanDerWaalsContact OD1-CD 3.3Å; D195-K460 WeakPolarHBondContact OD1-CD 3.36Å; D195-K460 WeakPolarHBondContact OD1-CE 3.49Å; D195-K460 IonicContact OD1-NZ 2.68Å; D195-K460 PolarHBondContact OD1-NZ 3.3Å; D198-K460 IonicContact OD2-NZ 3.44Å; D198-K460 PolarHBondContact OD2-NZ 3.48Å; I456-K460 HydrophobicContact CG2-CD 4.38Å; I456-K460 WeakPolarHBondContact O-CG 3.38Å; I456-K460 PolarHBondContact O-N 2.94Å; R457-K460 PolarHBondContact O-N 3.41Å; R457-K460 VanDerWaalsContact O-N 3.11Å
461N92.9Very high92.3Very high47 Ų4744.6 Ų44.625%0.25127%0.265SS..  trans-150.965.8175.9-171.711.5000111.8E419 R457 S463 H464 Y465E419-N461 PolarHBondContact OE1-ND2 3.08Å; R457-N461 PolarHBondContact O-N 3.1Å; N461-S463 VanDerWaalsContact C-N 3.26Å; N461-S463 PolarHBondContact O-N 3.28Å; N461-S463 PolarHBondContact OD1-OG 2.91Å; N461-H464 PolarHBondContact O-N 3.39Å; N461-Y465 VanDerWaalsContact O-CD2 3.26Å; N461-Y465 WeakPolarHBondContact O-CD2 3.08Å
462P93.3Very high92.3Very high16 Ų1647.4 Ų47.410%0.10428%0.278CS..G310 helixtrans-57.1-33.3-175.319.6-33.1000114.5A458 H464 Y465 F467 I476A458-P462 WeakPolarHBondContact O-CA 3.06Å; A458-P462 WeakPolarHBondContact O-CB 3.21Å; A458-P462 WeakPolarHBondContact O-CD 3.34Å; P462-H464 VanDerWaalsContact C-N 3.33Å; P462-H464 PolarHBondContact O-N 2.86Å; P462-Y465 PolarHBondContact O-N 3.35Å; P462-Y465 VanDerWaalsContact O-N 3.11Å; P462-F467 HydrophobicContact CB-CB 3.89Å; P462-F467 HydrophobicContact CB-CD2 4.49Å; P462-F467 WeakPolarHBondContact O-CB 3.17Å; P462-F467 PolarHBondContact O-N 2.86Å; P462-I476 HydrophobicContact CB-CD1 4.06Å; P462-I476 HydrophobicContact CB-CG1 4.34Å; P462-I476 HydrophobicContact CG-CD1 4.16Å
463S92.8Very high92.1Very high73 Ų7354.3 Ų54.351%0.5130%0.304SS..G310 helixtrans-67.8-27.8-177.151.20000114N461 Y465 G466 F467N461-S463 VanDerWaalsContact C-N 3.26Å; N461-S463 PolarHBondContact O-N 3.28Å; N461-S463 PolarHBondContact OD1-OG 2.91Å; S463-Y465 PolarHBondContact O-N 3.26Å; S463-G466 PolarHBondContact O-N 3.31Å; S463-F467 WeakPolarHBondContact CA-O 3.3Å
464H91.1Very high91.9Very high90 Ų9063.1 Ų63.142%0.41734%0.338SS..G310 helixtrans-61.3-33171.8176.8-93.1000112.2N461 P462 G466N461-H464 PolarHBondContact O-N 3.39Å; P462-H464 VanDerWaalsContact C-N 3.33Å; P462-H464 PolarHBondContact O-N 2.86Å; H464-G466 VanDerWaalsContact C-N 3.33Å
465Y92.4Very high91.8Very high23 Ų2363.8 Ų63.89%0.0935%0.345CS..G310 helixtrans-93.410.8-178.7-54.7-80.4000112.8E419 S420 H423 L454 R457 A458 N461 P462 S463 F467E419-Y465 WeakPolarHBondContact CB-OH 3.44Å; E419-Y465 PolarHBondContact OE2-OH 3.49Å; S420-Y465 PolarHBondContact N-OH 2.95Å; H423-Y465 AromaticContact CE1-CE1 3.98Å; H423-Y465 AromaticContact CG-CD1 4Å; H423-Y465 AromaticContact ND1-CD1 3.54Å; H423-Y465 AromaticContact ND1-CE1 3.56Å; L454-Y465 HydrophobicContact CD1-CD1 3.49Å; L454-Y465 VanDerWaalsContact CD1-CD1 3.49Å; L454-Y465 HydrophobicContact CD1-CE1 3.42Å; L454-Y465 VanDerWaalsContact CD1-CE1 3.42Å; L454-Y465 HydrophobicContact CD1-CG 4.3Å; R457-Y465 HydrophobicContact CB-CE2 3.99Å; R457-Y465 VanDerWaalsContact CB-OH 3.25Å; R457-Y465 WeakPolarHBondContact CB-OH 3.25Å; A458-Y465 HydrophobicContact CB-CD2 4.29Å; N461-Y465 VanDerWaalsContact O-CD2 3.26Å; N461-Y465 WeakPolarHBondContact O-CD2 3.08Å; P462-Y465 PolarHBondContact O-N 3.35Å; P462-Y465 VanDerWaalsContact O-N 3.11Å; S463-Y465 PolarHBondContact O-N 3.26Å; Y465-F467 VanDerWaalsContact C-N 3.3Å; Y465-F467 PolarHBondContact O-N 3.21Å
466G90.6Very high91.7Very high71 Ų7163.1 Ų63.173%0.73234%0.343SS*.THydrogen-bonded Turntrans76.711.7-178.400000114.6S463 H464S463-G466 PolarHBondContact O-N 3.31Å; H464-G466 VanDerWaalsContact C-N 3.33Å
467F91.9Very high91.6Very high29 Ų2963.2 Ų63.213%0.12734%0.343CS..  trans-88.8155.1175.9-50.3-27.7000110.8A458 P462 S463 Y465 L471 I476 K479 L480A458-F467 HydrophobicContact CB-CD2 4.48Å; A458-F467 HydrophobicContact CB-CE2 4.08Å; P462-F467 HydrophobicContact CB-CB 3.89Å; P462-F467 HydrophobicContact CB-CD2 4.49Å; P462-F467 WeakPolarHBondContact O-CB 3.17Å; P462-F467 PolarHBondContact O-N 2.86Å; S463-F467 WeakPolarHBondContact CA-O 3.3Å; Y465-F467 VanDerWaalsContact C-N 3.3Å; Y465-F467 PolarHBondContact O-N 3.21Å; F467-L471 HydrophobicContact CB-CD1 4.27Å; F467-I476 HydrophobicContact CD2-CG2 4.36Å; F467-K479 HydrophobicContact CD1-CB 3.83Å; F467-K479 HydrophobicContact CD1-CD 4.42Å; F467-K479 HydrophobicContact CD1-CG 4.24Å; F467-K479 HydrophobicContact CD2-CB 4.3Å; F467-K479 HydrophobicContact CE1-CB 3.82Å; F467-K479 HydrophobicContact CE2-CB 4.28Å; F467-K479 HydrophobicContact CG-CB 4.09Å; F467-K479 HydrophobicContact CG-CG 4.5Å; F467-K479 HydrophobicContact CZ-CB 4.05Å; F467-L480 HydrophobicContact CE2-CD2 3.91Å; F467-L480 HydrophobicContact CE2-CG 4.17Å; F467-L480 HydrophobicContact CZ-CD2 4Å; F467-L480 HydrophobicContact CZ-CG 4.45Å
468S89.2Confident91.5Very high66 Ų6665.1 Ų65.146%0.46236%0.361SS..  trans-70.6133.2176.8175.50000110.7N470 L471S468-N470 PolarHBondContact O-N 3.27Å; S468-N470 VanDerWaalsContact O-N 3.15Å; S468-L471 WeakPolarHBondContact O-CG 3.15Å; S468-L471 PolarHBondContact O-N 3Å
469A84.1Confident91.5Very high66 Ų6668.8 Ų68.855%0.54538%0.377SS..THydrogen-bonded Turntrans-66.8-12.6-179.100000114.3
470N87.7Confident91.4Very high154 Ų15466.4 Ų66.482%0.82436%0.364SS*.THydrogen-bonded Turntrans-95.86.8179.5-60.4-2.1000112.8S468S468-N470 PolarHBondContact O-N 3.27Å; S468-N470 VanDerWaalsContact O-N 3.15Å
471L89.9Confident91.4Very high59 Ų5965.8 Ų65.831%0.30936%0.363SS..  trans-76.9140.1174.4-65.6171.1000110.4F467 S468 I476 K479F467-L471 HydrophobicContact CB-CD1 4.27Å; S468-L471 WeakPolarHBondContact O-CG 3.15Å; S468-L471 PolarHBondContact O-N 3Å; L471-I476 HydrophobicContact CB-CG1 3.84Å; L471-K479 HydrophobicContact CD1-CG 4.03Å
472D90.9Very high91.4Very high89 Ų8968.5 Ų68.548%0.47637%0.374SS..  trans-80-177.4169.378.8-52.4000110.9Y474 G475 I476D472-Y474 VanDerWaalsContact C-N 3.29Å; D472-Y474 PolarHBondContact O-N 3.22Å; D472-Y474 WeakPolarHBondContact OD2-CB 3.16Å; D472-Y474 WeakPolarHBondContact OD2-CD2 3.38Å; D472-Y474 PolarHBondContact OD2-N 3.11Å; D472-G475 PolarHBondContact O-N 2.74Å; D472-G475 PolarHBondContact OD1-N 3.49Å; D472-I476 WeakPolarHBondContact O-CG1 3.42Å; D472-I476 PolarHBondContact O-N 3.17Å
473R90.3Very high91.4Very high145 Ų14570 Ų7055%0.54738%0.381SS..Hα-helixtrans-54.8-44.1177-180178.1178.9171.84.2112Y455 L459 I476 E477Y455-R473 PolarHBondContact OH-NE 3.18Å; Y455-R473 PolarHBondContact OH-NH2 3.18Å; L459-R473 HydrophobicContact CD2-CB 4.36Å; L459-R473 HydrophobicContact CD2-CG 3.96Å; R473-I476 PolarHBondContact O-N 3.26Å; R473-E477 HydrophobicContact CG-CG 4.49Å; R473-E477 IonicContact CZ-OE1 3.61Å; R473-E477 IonicContact NE-OE1 2.88Å; R473-E477 PolarHBondContact NE-OE1 3.04Å; R473-E477 IonicContact NH2-OE1 3.29Å; R473-E477 PolarHBondContact NH2-OE1 3.36Å; R473-E477 WeakPolarHBondContact O-CG 3.39Å; R473-E477 PolarHBondContact O-N 3.19Å
474Y91.6Very high91.5Very high185 Ų18566.5 Ų66.573%0.72536%0.356SS*.Hα-helixtrans-68.9-39.6-178.1-61.6-67.9000111.6D472 I476 E477 A478D472-Y474 VanDerWaalsContact C-N 3.29Å; D472-Y474 PolarHBondContact O-N 3.22Å; D472-Y474 WeakPolarHBondContact OD2-CB 3.16Å; D472-Y474 WeakPolarHBondContact OD2-CD2 3.38Å; D472-Y474 PolarHBondContact OD2-N 3.11Å; Y474-I476 PolarHBondContact O-N 3.41Å; Y474-E477 PolarHBondContact O-N 2.91Å; Y474-A478 WeakPolarHBondContact O-CB 3.36Å; Y474-A478 PolarHBondContact O-N 2.91Å
475G92.6Very high91.6Very high15 Ų1565.1 Ų65.116%0.15535%0.352CS..Hα-helixtrans-62.4-36.6172.800000114.1D472 K479D472-G475 PolarHBondContact O-N 2.74Å; D472-G475 PolarHBondContact OD1-N 3.49Å; G475-K479 WeakPolarHBondContact O-CG 3.36Å; G475-K479 PolarHBondContact O-N 3.28Å
476I92.9Very high91.7Very high5 Ų570.8 Ų70.83%0.02638%0.377CS..Hα-helixtrans-72.7-42.1175.5-64.1167.8000110.9A458 L459 P462 F467 L471 D472 R473 Y474 A478 K479 L480A458-I476 HydrophobicContact CB-CG2 4.05Å; L459-I476 HydrophobicContact CD2-CB 4.08Å; L459-I476 HydrophobicContact CD2-CD1 4.24Å; L459-I476 HydrophobicContact CD2-CG2 3.91Å; P462-I476 HydrophobicContact CB-CD1 4.06Å; P462-I476 HydrophobicContact CB-CG1 4.34Å; P462-I476 HydrophobicContact CG-CD1 4.16Å; F467-I476 HydrophobicContact CD2-CG2 4.36Å; L471-I476 HydrophobicContact CB-CG1 3.84Å; D472-I476 WeakPolarHBondContact O-CG1 3.42Å; D472-I476 PolarHBondContact O-N 3.17Å; R473-I476 PolarHBondContact O-N 3.26Å; Y474-I476 PolarHBondContact O-N 3.41Å; I476-A478 VanDerWaalsContact C-N 3.35Å; I476-A478 PolarHBondContact O-N 3.15Å; I476-K479 PolarHBondContact O-N 2.65Å; I476-K479 VanDerWaalsContact O-N 3.15Å; I476-L480 HydrophobicContact CG2-CD1 4.43Å; I476-L480 PolarHBondContact O-N 2.88Å
477E92.8Very high91.9Very high30 Ų3068 Ų6814%0.1435%0.346CS..Hα-helixtrans-62.5-40.3174.6-73.9-164.5-147.200112R450 Y455 R473 Y474 K479 L480 Q481R450-E477 IonicContact CZ-OE2 3Å; R450-E477 IonicContact NE-OE2 3.19Å; R450-E477 PolarHBondContact NE-OE2 2.98Å; R450-E477 VanDerWaalsContact NE-OE2 3.12Å; R450-E477 IonicContact NH2-OE2 2.83Å; R450-E477 PolarHBondContact NH2-OE2 3.28Å; Y455-E477 HydrophobicContact CE2-CG 3.83Å; Y455-E477 PolarHBondContact OH-OE1 3.44Å; R473-E477 HydrophobicContact CG-CG 4.49Å; R473-E477 IonicContact CZ-OE1 3.61Å; R473-E477 IonicContact NE-OE1 2.88Å; R473-E477 PolarHBondContact NE-OE1 3.04Å; R473-E477 IonicContact NH2-OE1 3.29Å; R473-E477 PolarHBondContact NH2-OE1 3.36Å; R473-E477 WeakPolarHBondContact O-CG 3.39Å; R473-E477 PolarHBondContact O-N 3.19Å; Y474-E477 PolarHBondContact O-N 2.91Å; E477-K479 VanDerWaalsContact C-N 3.3Å; E477-K479 PolarHBondContact O-N 3.32Å; E477-L480 PolarHBondContact O-N 3.44Å; E477-Q481 WeakPolarHBondContact O-CB 3.37Å; E477-Q481 PolarHBondContact O-N 3.39Å
478A93Very high92Very high51 Ų5166.7 Ų66.742%0.42134%0.34SS..Hα-helixtrans-61.5-35.517300000112.7Y474 I476 Q481 E482Y474-A478 WeakPolarHBondContact O-CB 3.36Å; Y474-A478 PolarHBondContact O-N 2.91Å; I476-A478 VanDerWaalsContact C-N 3.35Å; I476-A478 PolarHBondContact O-N 3.15Å; A478-Q481 PolarHBondContact O-N 2.83Å; A478-E482 PolarHBondContact O-N 2.93Å
479K94Very high92.2Very high78 Ų7868 Ų6834%0.33934%0.342SS..Hα-helixtrans-73.3-34.5175.8-76.3-71.9164.9-163.20113.5F467 L471 G475 I476 E477 E482 L483F467-K479 HydrophobicContact CD1-CB 3.83Å; F467-K479 HydrophobicContact CD1-CD 4.42Å; F467-K479 HydrophobicContact CD1-CG 4.24Å; F467-K479 HydrophobicContact CD2-CB 4.3Å; F467-K479 HydrophobicContact CE1-CB 3.82Å; F467-K479 HydrophobicContact CE2-CB 4.28Å; F467-K479 HydrophobicContact CG-CB 4.09Å; F467-K479 HydrophobicContact CG-CG 4.5Å; F467-K479 HydrophobicContact CZ-CB 4.05Å; L471-K479 HydrophobicContact CD1-CG 4.03Å; G475-K479 WeakPolarHBondContact O-CG 3.36Å; G475-K479 PolarHBondContact O-N 3.28Å; I476-K479 PolarHBondContact O-N 2.65Å; I476-K479 VanDerWaalsContact O-N 3.15Å; E477-K479 VanDerWaalsContact C-N 3.3Å; E477-K479 PolarHBondContact O-N 3.32Å; K479-E482 WeakPolarHBondContact CE-OE2 3.35Å; K479-E482 IonicContact NZ-OE1 3.12Å; K479-E482 IonicContact NZ-OE2 3.49Å; K479-E482 PolarHBondContact NZ-OE2 3.3Å; K479-L483 WeakPolarHBondContact O-CB 3.3Å; K479-L483 PolarHBondContact O-N 3.38Å; K479-L483 VanDerWaalsContact O-N 3.07Å
480L93Very high92.8Very high5 Ų567.1 Ų67.13%0.02633%0.332CS..Hα-helixtrans-67.5-36.7170-69.3172000111.5I449 L454 Y455 A458 F467 I476 E477 L483 C484I449-L480 HydrophobicContact CG2-CB 4.39Å; I449-L480 HydrophobicContact CG2-CD1 4.37Å; L454-L480 HydrophobicContact CG-CD2 4.37Å; Y455-L480 HydrophobicContact CD2-CD1 3.78Å; A458-L480 HydrophobicContact CB-CD1 4.16Å; A458-L480 HydrophobicContact CB-CD2 4.25Å; F467-L480 HydrophobicContact CE2-CD2 3.91Å; F467-L480 HydrophobicContact CE2-CG 4.17Å; F467-L480 HydrophobicContact CZ-CD2 4Å; F467-L480 HydrophobicContact CZ-CG 4.45Å; I476-L480 HydrophobicContact CG2-CD1 4.43Å; I476-L480 PolarHBondContact O-N 2.88Å; E477-L480 PolarHBondContact O-N 3.44Å; L480-L483 PolarHBondContact O-N 3.3Å; L480-C484 WeakPolarHBondContact O-CB 3.33Å; L480-C484 PolarHBondContact O-N 3.1Å
481Q92.8Very high93.2Very high84 Ų8459.8 Ų59.839%0.39329%0.293SS..Hα-helixtrans-65.2-43.3173.1178.5173.29.800112.4L446 E477 A478 L483 C484 L485L446-Q481 HydrophobicContact CD1-CB 4.37Å; L446-Q481 HydrophobicContact CD1-CG 3.92Å; L446-Q481 HydrophobicContact CD2-CB 3.79Å; L446-Q481 HydrophobicContact CD2-CG 3.91Å; E477-Q481 WeakPolarHBondContact O-CB 3.37Å; E477-Q481 PolarHBondContact O-N 3.39Å; A478-Q481 PolarHBondContact O-N 2.83Å; Q481-L483 VanDerWaalsContact C-N 3.34Å; Q481-L483 PolarHBondContact O-N 2.84Å; Q481-C484 WeakPolarHBondContact O-CB 3.46Å; Q481-C484 PolarHBondContact O-N 2.99Å; Q481-L485 HydrophobicContact CG-CD1 3.96Å; Q481-L485 HydrophobicContact CG-CG 4.44Å; Q481-L485 WeakPolarHBondContact O-CB 3.49Å; Q481-L485 WeakPolarHBondContact O-CG 3.35Å; Q481-L485 PolarHBondContact O-N 2.99Å
482E93.3Very high93.4Very high105 Ų10558.7 Ų58.749%0.49129%0.29SS..Hα-helixtrans-58.5-44.8173.3-175.8-174.314400111.6A478 K479 K486A478-E482 PolarHBondContact O-N 2.93Å; K479-E482 WeakPolarHBondContact CE-OE2 3.35Å; K479-E482 IonicContact NZ-OE1 3.12Å; K479-E482 IonicContact NZ-OE2 3.49Å; K479-E482 PolarHBondContact NZ-OE2 3.3Å; E482-K486 WeakPolarHBondContact O-CB 3.1Å; E482-K486 PolarHBondContact O-N 2.69Å
483L93.4Very high93.6Very high46 Ų4658.4 Ų58.424%0.24130%0.3CS..Hα-helixtrans-62.3-41.8176179.962.3000112H423 L426 K479 L480 Q481 T487H423-L483 HydrophobicContact CB-CD2 4.39Å; L426-L483 HydrophobicContact CD2-CD1 4.44Å; L426-L483 HydrophobicContact CD2-CD2 4.06Å; L426-L483 HydrophobicContact CD2-CG 3.78Å; K479-L483 WeakPolarHBondContact O-CB 3.3Å; K479-L483 PolarHBondContact O-N 3.38Å; K479-L483 VanDerWaalsContact O-N 3.07Å; L480-L483 PolarHBondContact O-N 3.3Å; Q481-L483 VanDerWaalsContact C-N 3.34Å; Q481-L483 PolarHBondContact O-N 2.84Å; L483-T487 WeakPolarHBondContact O-CB 3.38Å; L483-T487 PolarHBondContact O-N 3.01Å; L483-T487 VanDerWaalsContact O-N 3.11Å; L483-T487 PolarHBondContact O-OG1 3.21Å
484C93.8Very high93.7Very high0 Ų052.8 Ų52.80%028%0.28CS..Hα-helixtrans-62.8-53.8176.2-169.50000111.7L446 I449 L480 Q481 K486 T487 L488L446-C484 HydrophobicContact CD2-CB 3.91Å; I449-C484 HydrophobicContact CD1-CB 3.59Å; L480-C484 WeakPolarHBondContact O-CB 3.33Å; L480-C484 PolarHBondContact O-N 3.1Å; Q481-C484 WeakPolarHBondContact O-CB 3.46Å; Q481-C484 PolarHBondContact O-N 2.99Å; C484-K486 VanDerWaalsContact C-N 3.35Å; C484-K486 PolarHBondContact O-N 3.38Å; C484-T487 WeakPolarHBondContact O-CA 3.27Å; C484-T487 WeakPolarHBondContact O-CB 3.36Å; C484-T487 PolarHBondContact O-N 3.16Å; C484-L488 WeakPolarHBondContact O-CG 3.21Å; C484-L488 PolarHBondContact O-N 3.04Å
485L92.8Very high93.8Very high61 Ų6149.7 Ų49.732%0.31928%0.276SS..Hα-helixtrans-60.7-41.9-179.6-71.9171.2000111.9V442 Q481 T487 L488 N489V442-L485 HydrophobicContact CG1-CD2 3.91Å; V442-L485 HydrophobicContact CG2-CD2 4.11Å; Q481-L485 HydrophobicContact CG-CD1 3.96Å; Q481-L485 HydrophobicContact CG-CG 4.44Å; Q481-L485 WeakPolarHBondContact O-CB 3.49Å; Q481-L485 WeakPolarHBondContact O-CG 3.35Å; Q481-L485 PolarHBondContact O-N 2.99Å; L485-T487 VanDerWaalsContact C-N 3.25Å; L485-T487 PolarHBondContact O-N 3.07Å; L485-L488 PolarHBondContact O-N 3.37Å; L485-N489 WeakPolarHBondContact O-CB 3.42Å; L485-N489 VanDerWaalsContact O-CG 3.22Å; L485-N489 PolarHBondContact O-N 3.4Å; L485-N489 PolarHBondContact O-ND2 3.4Å
486K94.4Very high93.9Very high142 Ų14249 Ų4962%0.61727%0.269SS*.Hα-helixtrans-58.9-37.6173.2-177.5179.4178.7-178.50112.1E482 C484 S490E482-K486 WeakPolarHBondContact O-CB 3.1Å; E482-K486 PolarHBondContact O-N 2.69Å; C484-K486 VanDerWaalsContact C-N 3.35Å; C484-K486 PolarHBondContact O-N 3.38Å; K486-S490 WeakPolarHBondContact O-CB 3.33Å; K486-S490 PolarHBondContact O-N 2.89Å; K486-S490 VanDerWaalsContact O-N 3.1Å; K486-S490 PolarHBondContact O-OG 3.37Å
487T95.2Very high94.1Very high14 Ų1448.8 Ų48.89%0.08627%0.268CS..Hα-helixtrans-71.4-45.1178.2-55.20000111.4L426 V427 L430 L483 C484 L485 S490 L491L426-T487 HydrophobicContact CG-CG2 4.32Å; V427-T487 HydrophobicContact CB-CG2 3.77Å; V427-T487 HydrophobicContact CG2-CG2 4.02Å; L430-T487 HydrophobicContact CB-CG2 4.45Å; L430-T487 HydrophobicContact CD2-CG2 3.68Å; L483-T487 WeakPolarHBondContact O-CB 3.38Å; L483-T487 PolarHBondContact O-N 3.01Å; L483-T487 VanDerWaalsContact O-N 3.11Å; L483-T487 PolarHBondContact O-OG1 3.21Å; C484-T487 WeakPolarHBondContact O-CA 3.27Å; C484-T487 WeakPolarHBondContact O-CB 3.36Å; C484-T487 PolarHBondContact O-N 3.16Å; L485-T487 VanDerWaalsContact C-N 3.25Å; L485-T487 PolarHBondContact O-N 3.07Å; T487-S490 WeakPolarHBondContact O-CB 3.45Å; T487-S490 PolarHBondContact O-N 3.38Å; T487-S490 VanDerWaalsContact O-N 3.12Å; T487-L491 PolarHBondContact O-N 2.91Å
488L94.6Very high94.1Very high1 Ų150.9 Ų50.91%0.00528%0.283CS..Hα-helixtrans-60.9-46.1175.2-67.1173.7000112.1L430 I434 V442 C484 L485 S490 L491 S492 I497 M499 I505L430-L488 HydrophobicContact CD2-CD2 3.54Å; L430-L488 HydrophobicContact CD2-CG 3.82Å; L430-L488 HydrophobicContact CG-CD2 4.02Å; I434-L488 HydrophobicContact CD1-CD2 3.68Å; V442-L488 HydrophobicContact CG2-CD1 3.69Å; C484-L488 WeakPolarHBondContact O-CG 3.21Å; C484-L488 PolarHBondContact O-N 3.04Å; L485-L488 PolarHBondContact O-N 3.37Å; L488-S490 PolarHBondContact O-N 2.86Å; L488-L491 PolarHBondContact O-N 3Å; L488-L491 VanDerWaalsContact O-N 3.13Å; L488-S492 WeakPolarHBondContact O-CB 3.45Å; L488-S492 PolarHBondContact O-N 2.66Å; L488-I497 HydrophobicContact CB-CD1 4.3Å; L488-I497 HydrophobicContact CD2-CD1 3.79Å; L488-M499 HydrophobicContact CB-SD 4.05Å; L488-I505 HydrophobicContact CD1-CD1 3.82Å; L488-I505 HydrophobicContact CD2-CD1 3.89Å
489N94.1Very high94.1Very high94 Ų9451.5 Ų51.550%0.50328%0.278SS..Hα-helixtrans-58.6-35.9173.8-71.5-22.8000111.9L485 S492 A493L485-N489 WeakPolarHBondContact O-CB 3.42Å; L485-N489 VanDerWaalsContact O-CG 3.22Å; L485-N489 PolarHBondContact O-N 3.4Å; L485-N489 PolarHBondContact O-ND2 3.4Å; N489-S492 PolarHBondContact O-N 3.29Å; N489-A493 VanDerWaalsContact O-CB 3.25Å; N489-A493 WeakPolarHBondContact O-CB 3.43Å; N489-A493 PolarHBondContact O-N 2.83Å
490S95.7Very high93.8Very high47 Ų4750.3 Ų50.333%0.32928%0.275SS..Hα-helixtrans-70-36.1176.5-57.20000112.8K486 T487 L488 F521K486-S490 WeakPolarHBondContact O-CB 3.33Å; K486-S490 PolarHBondContact O-N 2.89Å; K486-S490 VanDerWaalsContact O-N 3.1Å; K486-S490 PolarHBondContact O-OG 3.37Å; T487-S490 WeakPolarHBondContact O-CB 3.45Å; T487-S490 PolarHBondContact O-N 3.38Å; T487-S490 VanDerWaalsContact O-N 3.12Å; L488-S490 PolarHBondContact O-N 2.86Å; S490-F521 VanDerWaalsContact O-CZ 3.31Å; S490-F521 WeakPolarHBondContact O-CZ 3.37Å
491L95.9Very high93.2Very high0 Ų059.5 Ų59.50%032%0.318CS..Hα-helixtrans-69-40.6173.2-68.7173.3000112V427 N431 I434 T487 L488 L496 I497 F521V427-L491 HydrophobicContact CG2-CD2 3.47Å; V427-L491 VanDerWaalsContact CG2-CD2 3.47Å; V427-L491 HydrophobicContact CG2-CG 3.9Å; N431-L491 HydrophobicContact CB-CD1 3.97Å; N431-L491 HydrophobicContact CB-CD2 3.85Å; I434-L491 HydrophobicContact CD1-CD1 4.39Å; T487-L491 PolarHBondContact O-N 2.91Å; L488-L491 PolarHBondContact O-N 3Å; L488-L491 VanDerWaalsContact O-N 3.13Å; L491-L496 HydrophobicContact CB-CB 4.42Å; L491-L496 HydrophobicContact CD2-CB 4.37Å; L491-L496 HydrophobicContact CD2-CD1 3.6Å; L491-L496 WeakPolarHBondContact O-CB 3.14Å; L491-L496 PolarHBondContact O-N 3.36Å; L491-L496 VanDerWaalsContact O-N 3.07Å; L491-I497 HydrophobicContact CB-CD1 3.69Å; L491-I497 HydrophobicContact CB-CG1 3.8Å; L491-I497 HydrophobicContact CB-CG2 4.41Å; L491-I497 HydrophobicContact CD1-CD1 4.2Å; L491-F521 HydrophobicContact CD2-CD2 4Å; L491-F521 HydrophobicContact CD2-CE2 4.03Å
492S95Very high92.5Very high36 Ų3662.1 Ų62.125%0.25234%0.335SS..Hα-helixtrans-70.2-37.1179.3-177.50000112.3L488 N489 I494 D495L488-S492 WeakPolarHBondContact O-CB 3.45Å; L488-S492 PolarHBondContact O-N 2.66Å; N489-S492 PolarHBondContact O-N 3.29Å; S492-I494 PolarHBondContact O-N 3.17Å; S492-D495 PolarHBondContact O-N 3.14Å
493A94.6Very high92.1Very high83 Ų8361.7 Ų61.769%0.68634%0.335SS*.THydrogen-bonded Turntrans-64.6-5.5179.200000115.3N489N489-A493 VanDerWaalsContact O-CB 3.25Å; N489-A493 WeakPolarHBondContact O-CB 3.43Å; N489-A493 PolarHBondContact O-N 2.83Å
494I93.3Very high91.9Very high26 Ų2662.3 Ų62.313%0.13334%0.338CS..THydrogen-bonded Turntrans-132.130.3171.761.2143.5000112.8S492 L496 F521 Q525 T528S492-I494 PolarHBondContact O-N 3.17Å; I494-L496 VanDerWaalsContact C-N 3.29Å; I494-L496 HydrophobicContact CD1-CD1 3.58Å; I494-L496 HydrophobicContact CD1-CD2 4.3Å; I494-L496 HydrophobicContact CD1-CG 3.73Å; I494-L496 HydrophobicContact CG1-CD1 4.07Å; I494-L496 HydrophobicContact CG1-CG 3.97Å; I494-L496 PolarHBondContact O-N 2.99Å; I494-F521 HydrophobicContact CD1-CD2 4.07Å; I494-F521 HydrophobicContact CD1-CE2 3.58Å; I494-F521 HydrophobicContact CD1-CZ 4.22Å; I494-F521 HydrophobicContact CG1-CE2 3.79Å; I494-F521 HydrophobicContact CG1-CZ 4.24Å; I494-Q525 HydrophobicContact CD1-CG 3.86Å; I494-Q525 HydrophobicContact CG2-CG 4.36Å; I494-T528 HydrophobicContact CB-CG2 4.43Å
495D93Very high91.9Very high120 Ų12062.5 Ų62.564%0.64234%0.34SS*.THydrogen-bonded Turntrans55.131.6173.8-60.1-37.9000115.3S492 T508S492-D495 PolarHBondContact O-N 3.14Å; D495-T508 WeakPolarHBondContact O-CB 3.17Å; D495-T508 WeakPolarHBondContact O-CG2 3.36Å; D495-T508 PolarHBondContact O-OG1 2.91Å
496L94.8Very high92Very high1 Ų164.7 Ų64.71%0.00535%0.346CS..SBendtrans-81.9-31.5171.8-62.1178.6000112.5L491 I494 T508 A510 G511 M514 F521 V524L491-L496 HydrophobicContact CB-CB 4.42Å; L491-L496 HydrophobicContact CD2-CB 4.37Å; L491-L496 HydrophobicContact CD2-CD1 3.6Å; L491-L496 WeakPolarHBondContact O-CB 3.14Å; L491-L496 PolarHBondContact O-N 3.36Å; L491-L496 VanDerWaalsContact O-N 3.07Å; I494-L496 VanDerWaalsContact C-N 3.29Å; I494-L496 HydrophobicContact CD1-CD1 3.58Å; I494-L496 HydrophobicContact CD1-CD2 4.3Å; I494-L496 HydrophobicContact CD1-CG 3.73Å; I494-L496 HydrophobicContact CG1-CD1 4.07Å; I494-L496 HydrophobicContact CG1-CG 3.97Å; I494-L496 PolarHBondContact O-N 2.99Å; L496-T508 PolarHBondContact O-N 3.48Å; L496-T508 PolarHBondContact O-OG1 3.38Å; L496-T508 VanDerWaalsContact O-OG1 3.11Å; L496-A510 HydrophobicContact CD2-CB 3.8Å; L496-G511 WeakPolarHBondContact O-CA 3.23Å; L496-M514 HydrophobicContact CD1-SD 3.56Å; L496-M514 VanDerWaalsContact CD1-SD 3.56Å; L496-F521 HydrophobicContact CD1-CD2 3.8Å; L496-F521 HydrophobicContact CD1-CE2 3.95Å; L496-V524 HydrophobicContact CD2-CG1 3.98Å
497I96.1Very high92Very high1 Ų158.7 Ų58.71%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-134.8149.5174.568179.5000109.1I434 L488 L491 M499 I505 K506I434-I497 HydrophobicContact CD1-CD1 4.35Å; I434-I497 HydrophobicContact CD1-CG2 4.23Å; I434-I497 HydrophobicContact CG2-CG2 4Å; L488-I497 HydrophobicContact CB-CD1 4.3Å; L488-I497 HydrophobicContact CD2-CD1 3.79Å; L491-I497 HydrophobicContact CB-CD1 3.69Å; L491-I497 HydrophobicContact CB-CG1 3.8Å; L491-I497 HydrophobicContact CB-CG2 4.41Å; L491-I497 HydrophobicContact CD1-CD1 4.2Å; I497-M499 HydrophobicContact CD1-CG 4.39Å; I497-M499 HydrophobicContact CD1-SD 4.36Å; I497-I505 HydrophobicContact CB-CG2 4.05Å; I497-I505 HydrophobicContact CD1-CG2 3.85Å; I497-I505 HydrophobicContact CG1-CG2 4.39Å; I497-I505 HydrophobicContact CG2-CG2 4.35Å; I497-K506 CarbonylContact C-O 3.48Å; I497-K506 WeakPolarHBondContact CA-O 3.25Å
498T94.4Very high92Very high73 Ų7359.5 Ų59.545%0.44833%0.327SS..EExtended strand (participates in β ladder)trans-107.2140.2163.658.20000109.2K506 T508T498-K506 PolarHBondContact N-O 3.45Å; T498-K506 PolarHBondContact O-N 3.34Å; T498-K506 PolarHBondContact OG1-O 3.2Å; T498-T508 HydrophobicContact CG2-CG2 4.06Å
499M91.4Very high91.9Very high65 Ų6563.2 Ų63.232%0.3234%0.344SS..EExtended strand (participates in β ladder)trans-115.2136171.5-58.1-175.6-62.100108.2L488 I497 N504 I505L488-M499 HydrophobicContact CB-SD 4.05Å; I497-M499 HydrophobicContact CD1-CG 4.39Å; I497-M499 HydrophobicContact CD1-SD 4.36Å; M499-N504 VanDerWaalsContact CA-O 3.32Å; M499-N504 WeakPolarHBondContact CA-O 3.19Å; M499-I505 HydrophobicContact CG-CG1 4.22Å; M499-I505 HydrophobicContact SD-CG1 4.48Å
500D87.5Confident91.8Very high53 Ų5359.6 Ų59.628%0.28333%0.327SS..  trans-98.8174.8175.15146.6000112.4D502 I503 N504 K506D500-D502 PolarHBondContact O-N 2.64Å; D500-I503 WeakPolarHBondContact O-CA 3.4Å; D500-I503 PolarHBondContact O-N 2.8Å; D500-N504 PolarHBondContact N-O 2.97Å; D500-N504 VanDerWaalsContact OD1-CB 3.27Å; D500-N504 WeakPolarHBondContact OD1-CB 3.25Å; D500-N504 PolarHBondContact OD1-N 2.96Å; D500-N504 PolarHBondContact OD1-ND2 3.48Å; D500-K506 IonicContact OD2-NZ 3.97Å; D500-K506 PolarHBondContact OD2-NZ 2.82Å
501E80.8Confident91.8Very high198 Ų19857.3 Ų57.393%0.92531%0.311SS*.THydrogen-bonded Turntrans-62-29.3-176-61.4-178.2179.800112.3I503E501-I503 PolarHBondContact O-N 2.88Å
502D79.2Confident91.7Very high138 Ų13861 Ų6174%0.73833%0.325SS*.THydrogen-bonded Turntrans-80.57.5173.9-66.8-49.6000113.4D500 N504D500-D502 PolarHBondContact O-N 2.64Å; D502-N504 VanDerWaalsContact CB-ND2 3.26Å; D502-N504 WeakPolarHBondContact CB-ND2 3.33Å; D502-N504 PolarHBondContact O-N 2.89Å
503I83.4Confident91.6Very high96 Ų9659.5 Ų59.549%0.49231%0.314SS..  trans65.919.4176.5-32.4-179.8000113.5V442 D500 E501V442-I503 HydrophobicContact CB-CG2 3.74Å; V442-I503 HydrophobicContact CG2-CG2 3.39Å; D500-I503 WeakPolarHBondContact O-CA 3.4Å; D500-I503 PolarHBondContact O-N 2.8Å; E501-I503 PolarHBondContact O-N 2.88Å
504N90.2Very high91.5Very high59 Ų5955.8 Ų55.832%0.31628%0.283SS..BIsolated β-bridgetrans-76.4144.1169.6-48.9-92.5000109.9S440 M499 D500 D502S440-N504 CarbonylContact O-C 3.58Å; S440-N504 WeakPolarHBondContact O-CA 3.33Å; M499-N504 VanDerWaalsContact CA-O 3.32Å; M499-N504 WeakPolarHBondContact CA-O 3.19Å; D500-N504 PolarHBondContact N-O 2.97Å; D500-N504 VanDerWaalsContact OD1-CB 3.27Å; D500-N504 WeakPolarHBondContact OD1-CB 3.25Å; D500-N504 PolarHBondContact OD1-N 2.96Å; D500-N504 PolarHBondContact OD1-ND2 3.48Å; D502-N504 VanDerWaalsContact CB-ND2 3.26Å; D502-N504 WeakPolarHBondContact CB-ND2 3.33Å; D502-N504 PolarHBondContact O-N 2.89Å
505I94.1Very high91.5Very high5 Ų554.6 Ų54.63%0.02628%0.277CS..EExtended strand (participates in β ladder)trans-112.8125.8-177.1-52.9165.8000109.3I434 I439 S440 D441 V442 L488 I497 M499I434-I505 HydrophobicContact CD1-CG2 3.94Å; I434-I505 HydrophobicContact CG1-CG2 4.21Å; I434-I505 HydrophobicContact CG2-CG2 3.72Å; I439-I505 HydrophobicContact CG2-CD1 4.19Å; S440-I505 PolarHBondContact O-N 3.25Å; D441-I505 VanDerWaalsContact C-CD1 3.45Å; V442-I505 HydrophobicContact CG2-CD1 4.15Å; L488-I505 HydrophobicContact CD1-CD1 3.82Å; L488-I505 HydrophobicContact CD2-CD1 3.89Å; I497-I505 HydrophobicContact CB-CG2 4.05Å; I497-I505 HydrophobicContact CD1-CG2 3.85Å; I497-I505 HydrophobicContact CG1-CG2 4.39Å; I497-I505 HydrophobicContact CG2-CG2 4.35Å; M499-I505 HydrophobicContact CG-CG1 4.22Å; M499-I505 HydrophobicContact SD-CG1 4.48Å
506K94.3Very high91.2Very high107 Ų10752.6 Ų52.647%0.46526%0.26SS..EExtended strand (participates in β ladder)trans-124.2126.2179.5-72.5151.3-173.1155.80110.4I497 T498 D500I497-K506 CarbonylContact C-O 3.48Å; I497-K506 WeakPolarHBondContact CA-O 3.25Å; T498-K506 PolarHBondContact N-O 3.45Å; T498-K506 PolarHBondContact O-N 3.34Å; T498-K506 PolarHBondContact OG1-O 3.2Å; D500-K506 IonicContact OD2-NZ 3.97Å; D500-K506 PolarHBondContact OD2-NZ 2.82Å
507P94.8Very high91Very high16 Ų1654.6 Ų54.610%0.10427%0.268CS..EExtended strand (participates in β ladder)trans-71.8134.517727.5-34.1000111.8I434 V435 R512I434-P507 HydrophobicContact CG2-CB 4.07Å; I434-P507 HydrophobicContact CG2-CG 4.3Å; V435-P507 HydrophobicContact CG2-CB 3.74Å; P507-R512 HydrophobicContact CB-CG 4.49Å; P507-R512 PolarHBondContact O-NH2 3.35Å; P507-R512 VanDerWaalsContact O-NH2 3.1Å
508T94.6Very high90.7Very high31 Ų3156.1 Ų56.119%0.1928%0.279CS..  trans-82.2169.5169.9760000110.8D495 L496 T498 A510 G511 R512D495-T508 WeakPolarHBondContact O-CB 3.17Å; D495-T508 WeakPolarHBondContact O-CG2 3.36Å; D495-T508 PolarHBondContact O-OG1 2.91Å; L496-T508 PolarHBondContact O-N 3.48Å; L496-T508 PolarHBondContact O-OG1 3.38Å; L496-T508 VanDerWaalsContact O-OG1 3.11Å; T498-T508 HydrophobicContact CG2-CG2 4.06Å; T508-A510 PolarHBondContact O-N 2.95Å; T508-A510 PolarHBondContact OG1-N 3.47Å; T508-A510 VanDerWaalsContact OG1-N 3.16Å; T508-G511 PolarHBondContact O-N 3.14Å; T508-G511 VanDerWaalsContact O-N 3.17Å; T508-G511 PolarHBondContact OG1-N 2.9Å; T508-R512 WeakPolarHBondContact O-CG 3.22Å; T508-R512 PolarHBondContact O-N 3.26Å
509E91.9Very high90.7Very high79 Ų7952.8 Ų52.837%0.36926%0.258SS..Hα-helixtrans-60.5-29.6171.2-70-52.4114.900112.6R512 L513E509-R512 PolarHBondContact O-N 3.5Å; E509-R512 VanDerWaalsContact OE1-CD 3.25Å; E509-R512 WeakPolarHBondContact OE1-CD 3.39Å; E509-R512 IonicContact OE1-CZ 3.5Å; E509-R512 IonicContact OE1-NE 3.76Å; E509-R512 PolarHBondContact OE1-NE 3.3Å; E509-R512 IonicContact OE1-NH2 2.65Å; E509-L513 WeakPolarHBondContact O-CB 3.27Å; E509-L513 WeakPolarHBondContact O-CG 3.39Å; E509-L513 PolarHBondContact O-N 3.21Å
510A93.5Very high90.9Very high17 Ų1750.4 Ų50.414%0.1425%0.249CC..Hα-helixtrans-65.6-44.5173.900000111.5L496 T508 L513 M514 F628L496-A510 HydrophobicContact CD2-CB 3.8Å; T508-A510 PolarHBondContact O-N 2.95Å; T508-A510 PolarHBondContact OG1-N 3.47Å; T508-A510 VanDerWaalsContact OG1-N 3.16Å; A510-L513 PolarHBondContact O-N 3.19Å; A510-M514 PolarHBondContact O-N 2.79Å; A510-F628 HydrophobicContact CB-CD2 4.05Å; A510-F628 HydrophobicContact CB-CE2 3.8Å
511G94.6Very high91.3Very high0 Ų049 Ų490%024%0.24CC..Hα-helixtrans-58.9-45.617200000112.4N431 L496 T508 L513 M514 A515N431-G511 PolarHBondContact ND2-O 3.35Å; N431-G511 WeakPolarHBondContact OD1-CA 3.41Å; L496-G511 WeakPolarHBondContact O-CA 3.23Å; T508-G511 PolarHBondContact O-N 3.14Å; T508-G511 VanDerWaalsContact O-N 3.17Å; T508-G511 PolarHBondContact OG1-N 2.9Å; G511-L513 PolarHBondContact O-N 3.48Å; G511-M514 PolarHBondContact O-N 2.98Å; G511-A515 PolarHBondContact O-N 2.53Å
512R93.4Very high92Very high78 Ų7844.1 Ų44.129%0.29422%0.217SC..Hα-helixtrans-60.9-40.5176-65.3-169.3-142.7-73.6-10.3112.8V435 P507 T508 E509 R516V435-R512 HydrophobicContact CG1-CB 4.41Å; V435-R512 HydrophobicContact CG1-CG 4.12Å; V435-R512 HydrophobicContact CG2-CB 4.46Å; V435-R512 HydrophobicContact CG2-CG 4.12Å; P507-R512 HydrophobicContact CB-CG 4.49Å; P507-R512 PolarHBondContact O-NH2 3.35Å; P507-R512 VanDerWaalsContact O-NH2 3.1Å; T508-R512 WeakPolarHBondContact O-CG 3.22Å; T508-R512 PolarHBondContact O-N 3.26Å; E509-R512 PolarHBondContact O-N 3.5Å; E509-R512 VanDerWaalsContact OE1-CD 3.25Å; E509-R512 WeakPolarHBondContact OE1-CD 3.39Å; E509-R512 IonicContact OE1-CZ 3.5Å; E509-R512 IonicContact OE1-NE 3.76Å; E509-R512 PolarHBondContact OE1-NE 3.3Å; E509-R512 IonicContact OE1-NH2 2.65Å; R512-R516 WeakPolarHBondContact O-CB 3.4Å; R512-R516 PolarHBondContact O-N 2.96Å
513L93.1Very high92.8Very high4 Ų437.5 Ų37.52%0.02118%0.182CC..Hα-helixtrans-66.5-47.2178.4-73.5170.6000111.4E509 A510 G511 A515 R516 Y517 E627 F628E509-L513 WeakPolarHBondContact O-CB 3.27Å; E509-L513 WeakPolarHBondContact O-CG 3.39Å; E509-L513 PolarHBondContact O-N 3.21Å; A510-L513 PolarHBondContact O-N 3.19Å; G511-L513 PolarHBondContact O-N 3.48Å; L513-A515 VanDerWaalsContact C-N 3.32Å; L513-A515 PolarHBondContact O-N 2.87Å; L513-R516 PolarHBondContact O-N 3.41Å; L513-Y517 HydrophobicContact CD2-CD2 4.27Å; L513-Y517 HydrophobicContact CD2-CE2 3.75Å; L513-Y517 WeakPolarHBondContact O-CD2 3.44Å; L513-Y517 PolarHBondContact O-N 3.12Å; L513-E627 HydrophobicContact CD1-CB 4.12Å; L513-E627 HydrophobicContact CD2-CB 3.56Å; L513-E627 HydrophobicContact CD2-CG 4.44Å; L513-F628 HydrophobicContact CD1-CB 4.06Å
514M93.9Very high93.4Very high4 Ų433 Ų332%0.0216%0.159CC..Hα-helixtrans-53.7-48.9174.5-177.4-174162.300111.5E428 L496 A510 G511 C518 V519 F521 V524E428-M514 HydrophobicContact CB-CE 4.28Å; E428-M514 HydrophobicContact CG-CE 3.83Å; L496-M514 HydrophobicContact CD1-SD 3.56Å; L496-M514 VanDerWaalsContact CD1-SD 3.56Å; A510-M514 PolarHBondContact O-N 2.79Å; G511-M514 PolarHBondContact O-N 2.98Å; M514-C518 WeakPolarHBondContact O-CA 3.46Å; M514-C518 PolarHBondContact O-N 3.21Å; M514-V519 VanDerWaalsContact CG-O 3.25Å; M514-V519 WeakPolarHBondContact CG-O 3.29Å; M514-V519 PolarHBondContact O-N 2.97Å; M514-V519 VanDerWaalsContact O-N 3.1Å; M514-F521 HydrophobicContact CE-CB 3.82Å; M514-V524 HydrophobicContact CB-CG2 4.02Å; M514-V524 HydrophobicContact CG-CG2 3.82Å; M514-V524 HydrophobicContact SD-CG2 4.25Å
515A92.1Very high93.6Very high1 Ų133.2 Ų33.21%0.00816%0.158CC..Hα-helixtrans-65.6-45.6178.600000112.8R125 V435 G511 L513 Y517 C518R125-A515 WeakPolarHBondContact CD-O 3.44Å; V435-A515 HydrophobicContact CB-CB 3.99Å; V435-A515 HydrophobicContact CG1-CB 3.9Å; V435-A515 HydrophobicContact CG2-CB 3.96Å; G511-A515 PolarHBondContact O-N 2.53Å; L513-A515 VanDerWaalsContact C-N 3.32Å; L513-A515 PolarHBondContact O-N 2.87Å; A515-Y517 PolarHBondContact O-N 3.34Å; A515-C518 PolarHBondContact O-N 3.35Å
516R88.1Confident93.7Very high79 Ų7934.8 Ų34.830%0.29817%0.166SC..Hα-helixtrans-61.5-39.7-178.2-177.3-172.5-59156.38.2113.2K126 R512 L513 E627K126-R516 WeakPolarHBondContact CE-O 3.25Å; K126-R516 HydrophobicContact CG-CG 4.39Å; R512-R516 WeakPolarHBondContact O-CB 3.4Å; R512-R516 PolarHBondContact O-N 2.96Å; L513-R516 PolarHBondContact O-N 3.41Å; R516-E627 IonicContact NH1-OE2 2.77Å; R516-E627 PolarHBondContact NH1-OE2 3.46Å
517Y89.7Confident93.7Very high43 Ų4329.7 Ų29.717%0.16914%0.144CC..Hα-helixtrans-96.5-2.6-179.8-65.2-70000113.3L513 A515 V519 R620 K623 C624 E627L513-Y517 HydrophobicContact CD2-CD2 4.27Å; L513-Y517 HydrophobicContact CD2-CE2 3.75Å; L513-Y517 WeakPolarHBondContact O-CD2 3.44Å; L513-Y517 PolarHBondContact O-N 3.12Å; A515-Y517 PolarHBondContact O-N 3.34Å; Y517-V519 VanDerWaalsContact C-N 3.26Å; Y517-V519 PolarHBondContact O-N 3.06Å; Y517-R620 PolarHBondContact O-NH1 3.11Å; Y517-K623 HydrophobicContact CD1-CB 4.48Å; Y517-K623 HydrophobicContact CE1-CB 4.02Å; Y517-K623 HydrophobicContact CE1-CG 3.64Å; Y517-K623 WeakPolarHBondContact OH-CG 3.32Å; Y517-C624 HydrophobicContact CD2-CB 3.59Å; Y517-C624 HydrophobicContact CE2-CB 4.39Å; Y517-C624 HydrophobicContact CG-CB 3.81Å; Y517-E627 VanDerWaalsContact OH-CD 3.31Å; Y517-E627 PolarHBondContact OH-OE2 2.85Å
518C90.8Very high93.5Very high33 Ų3331.7 Ų31.722%0.22316%0.156CC..THydrogen-bonded Turntrans5539.8-178.5-460000112.7S122 M514 A515 R620S122-C518 PolarHBondContact OG-SG 2.64Å; M514-C518 WeakPolarHBondContact O-CA 3.46Å; M514-C518 PolarHBondContact O-N 3.21Å; A515-C518 PolarHBondContact O-N 3.35Å; C518-R620 PolarHBondContact O-NH1 3.1Å
519V93.4Very high93.4Very high2 Ų236.6 Ų36.61%0.01218%0.175CC..  trans-83.1142.5-178.3173.60000109.8M514 Y517 T523 V524 F527 E548 C624M514-V519 VanDerWaalsContact CG-O 3.25Å; M514-V519 WeakPolarHBondContact CG-O 3.29Å; M514-V519 PolarHBondContact O-N 2.97Å; M514-V519 VanDerWaalsContact O-N 3.1Å; Y517-V519 VanDerWaalsContact C-N 3.26Å; Y517-V519 PolarHBondContact O-N 3.06Å; V519-T523 HydrophobicContact CG1-CG2 3.58Å; V519-V524 HydrophobicContact CB-CG2 4.42Å; V519-V524 HydrophobicContact CG1-CG2 3.81Å; V519-F527 HydrophobicContact CG1-CE2 4.45Å; V519-F527 HydrophobicContact CG1-CZ 4.37Å; V519-E548 WeakPolarHBondContact CA-OE1 3.39Å; V519-E548 WeakPolarHBondContact CG1-OE1 3.19Å; V519-C624 HydrophobicContact CG2-CB 3.89Å
520A94.7Very high93.4Very high16 Ų1633.5 Ų33.513%0.13216%0.161CC..  trans-68.6148.3-18000000112.1E522 T523 V524 K547 E548A520-E522 VanDerWaalsContact C-N 3.34Å; A520-E522 PolarHBondContact O-N 3Å; A520-T523 WeakPolarHBondContact O-CB 3.42Å; A520-T523 PolarHBondContact O-N 3.29Å; A520-V524 PolarHBondContact O-N 3.44Å; A520-V524 VanDerWaalsContact O-N 3.17Å; A520-K547 HydrophobicContact CB-CB 4.01Å; A520-K547 HydrophobicContact CB-CG 4.02Å; A520-E548 PolarHBondContact N-OE1 3.1Å
521F95.8Very high93.2Very high22 Ų2237.6 Ų37.610%0.09619%0.185CC..Hα-helixtrans-57.3-45.9-178.4174.5-106.3000111.7V427 E428 S490 L491 I494 L496 M514 T523 V524 Q525V427-F521 HydrophobicContact CG1-CB 3.74Å; V427-F521 HydrophobicContact CG1-CD1 4.25Å; V427-F521 HydrophobicContact CG1-CG 4.01Å; V427-F521 HydrophobicContact CG2-CB 4.15Å; V427-F521 HydrophobicContact CG2-CD1 4.17Å; V427-F521 HydrophobicContact CG2-CD2 3.6Å; V427-F521 HydrophobicContact CG2-CE1 4.48Å; V427-F521 HydrophobicContact CG2-CE2 3.96Å; V427-F521 HydrophobicContact CG2-CG 3.72Å; V427-F521 HydrophobicContact CG2-CZ 4.39Å; E428-F521 VanDerWaalsContact OE1-CB 3.31Å; E428-F521 WeakPolarHBondContact OE1-CB 3.48Å; E428-F521 PolarHBondContact OE1-N 2.62Å; S490-F521 VanDerWaalsContact O-CZ 3.31Å; S490-F521 WeakPolarHBondContact O-CZ 3.37Å; L491-F521 HydrophobicContact CD2-CD2 4Å; L491-F521 HydrophobicContact CD2-CE2 4.03Å; I494-F521 HydrophobicContact CD1-CD2 4.07Å; I494-F521 HydrophobicContact CD1-CE2 3.58Å; I494-F521 HydrophobicContact CD1-CZ 4.22Å; I494-F521 HydrophobicContact CG1-CE2 3.79Å; I494-F521 HydrophobicContact CG1-CZ 4.24Å; L496-F521 HydrophobicContact CD1-CD2 3.8Å; L496-F521 HydrophobicContact CD1-CE2 3.95Å; M514-F521 HydrophobicContact CE-CB 3.82Å; F521-T523 PolarHBondContact O-N 3.16Å; F521-V524 PolarHBondContact O-N 3.16Å; F521-V524 VanDerWaalsContact O-N 3.14Å; F521-Q525 HydrophobicContact CD1-CG 4.48Å; F521-Q525 HydrophobicContact CE1-CG 4.23Å; F521-Q525 HydrophobicContact CZ-CG 4.33Å; F521-Q525 WeakPolarHBondContact O-CG 3.42Å; F521-Q525 PolarHBondContact O-N 2.77Å
522E95.8Very high92.9Very high96 Ų9637.7 Ų37.745%0.44919%0.186SC..Hα-helixtrans-59-31.7175.4-70.5176.8-147.300113.3A520 Q525 L526 K547A520-E522 VanDerWaalsContact C-N 3.34Å; A520-E522 PolarHBondContact O-N 3Å; E522-Q525 WeakPolarHBondContact O-CB 3.48Å; E522-Q525 PolarHBondContact O-N 2.68Å; E522-L526 PolarHBondContact O-N 2.64Å; E522-K547 HydrophobicContact CB-CB 4.16Å; E522-K547 HydrophobicContact CB-CG 4.39Å; E522-K547 IonicContact OE1-NZ 3.45Å; E522-K547 PolarHBondContact OE1-NZ 2.81Å; E522-K547 WeakPolarHBondContact OE2-CD 3.27Å; E522-K547 WeakPolarHBondContact OE2-CE 3.38Å; E522-K547 IonicContact OE2-NZ 2.84Å; E522-K547 PolarHBondContact OE2-NZ 3.49Å
523T96.8Very high92.9Very high0 Ų037.5 Ų37.50%020%0.196CC..Hα-helixtrans-74.6-37.5177.3-650000111.1V519 A520 F521 Q525 L526 F527 S546 K547 E548 I621V519-T523 HydrophobicContact CG1-CG2 3.58Å; A520-T523 WeakPolarHBondContact O-CB 3.42Å; A520-T523 PolarHBondContact O-N 3.29Å; F521-T523 PolarHBondContact O-N 3.16Å; T523-Q525 VanDerWaalsContact C-N 3.3Å; T523-Q525 PolarHBondContact O-N 3.43Å; T523-L526 WeakPolarHBondContact O-CA 3.36Å; T523-L526 VanDerWaalsContact O-CB 3.31Å; T523-L526 WeakPolarHBondContact O-CB 3.41Å; T523-L526 PolarHBondContact O-N 3.21Å; T523-F527 HydrophobicContact CG2-CE1 3.7Å; T523-F527 HydrophobicContact CG2-CZ 3.82Å; T523-F527 VanDerWaalsContact O-CD1 3.26Å; T523-F527 WeakPolarHBondContact O-CD1 3.43Å; T523-F527 PolarHBondContact O-N 3.21Å; T523-S546 WeakPolarHBondContact CG2-OG 3.37Å; T523-K547 WeakPolarHBondContact OG1-CB 3.31Å; T523-K547 PolarHBondContact OG1-N 3.38Å; T523-E548 WeakPolarHBondContact CB-OE2 3.38Å; T523-E548 PolarHBondContact OG1-OE2 2.71Å; T523-I621 HydrophobicContact CG2-CG2 4.2Å
524V95.8Very high92.9Very high1 Ų138.7 Ų38.71%0.00620%0.202CC..Hα-helixtrans-69.5-30.2172.5-168.90000111.5L496 M514 V519 A520 F521 L526 F527 T528 F628L496-V524 HydrophobicContact CD2-CG1 3.98Å; M514-V524 HydrophobicContact CB-CG2 4.02Å; M514-V524 HydrophobicContact CG-CG2 3.82Å; M514-V524 HydrophobicContact SD-CG2 4.25Å; V519-V524 HydrophobicContact CB-CG2 4.42Å; V519-V524 HydrophobicContact CG1-CG2 3.81Å; A520-V524 PolarHBondContact O-N 3.44Å; A520-V524 VanDerWaalsContact O-N 3.17Å; F521-V524 PolarHBondContact O-N 3.16Å; F521-V524 VanDerWaalsContact O-N 3.14Å; V524-L526 PolarHBondContact O-N 3.3Å; V524-F527 HydrophobicContact CG1-CD2 4.28Å; V524-F527 HydrophobicContact CG2-CD2 4.48Å; V524-F527 WeakPolarHBondContact O-CB 3.42Å; V524-F527 PolarHBondContact O-N 3.04Å; V524-T528 PolarHBondContact O-N 3.27Å; V524-T528 VanDerWaalsContact O-N 3.14Å; V524-F628 HydrophobicContact CG1-CD2 4.33Å; V524-F628 HydrophobicContact CG1-CE2 3.84Å
525Q95.1Very high93Very high63 Ų6341.2 Ų41.229%0.29422%0.218SC..Hα-helixtrans-65.8-7.4166.1-69.2-172.7-29.100114.6I494 F521 E522 T523 T528 K529I494-Q525 HydrophobicContact CD1-CG 3.86Å; I494-Q525 HydrophobicContact CG2-CG 4.36Å; F521-Q525 HydrophobicContact CD1-CG 4.48Å; F521-Q525 HydrophobicContact CE1-CG 4.23Å; F521-Q525 HydrophobicContact CZ-CG 4.33Å; F521-Q525 WeakPolarHBondContact O-CG 3.42Å; F521-Q525 PolarHBondContact O-N 2.77Å; E522-Q525 WeakPolarHBondContact O-CB 3.48Å; E522-Q525 PolarHBondContact O-N 2.68Å; T523-Q525 VanDerWaalsContact C-N 3.3Å; T523-Q525 PolarHBondContact O-N 3.43Å; Q525-T528 PolarHBondContact O-OG1 3.25Å; Q525-K529 WeakPolarHBondContact O-CD 3.46Å; Q525-K529 WeakPolarHBondContact O-CE 3.32Å; Q525-K529 PolarHBondContact O-NZ 3.22Å
526L95.1Very high93.2Very high38 Ų3841.9 Ų41.920%0.19922%0.221CC..Hα-helixtrans-89.2-34.7164.1-58.8178.5000111.1E522 T523 V524 T528 K529 L542 K545E522-L526 PolarHBondContact O-N 2.64Å; T523-L526 WeakPolarHBondContact O-CA 3.36Å; T523-L526 VanDerWaalsContact O-CB 3.31Å; T523-L526 WeakPolarHBondContact O-CB 3.41Å; T523-L526 PolarHBondContact O-N 3.21Å; V524-L526 PolarHBondContact O-N 3.3Å; L526-T528 VanDerWaalsContact C-N 3.34Å; L526-T528 PolarHBondContact O-N 3.3Å; L526-K529 WeakPolarHBondContact O-CB 3.47Å; L526-K529 PolarHBondContact O-N 3.32Å; L526-K529 VanDerWaalsContact O-N 3.16Å; L526-L542 HydrophobicContact CB-CD2 4.31Å; L526-L542 HydrophobicContact CB-CG 4.38Å; L526-K545 HydrophobicContact CD1-CB 4.01Å; L526-K545 WeakPolarHBondContact CD1-O 3.46Å
527F94.4Very high93.6Very high0 Ų039.9 Ų39.90%022%0.218CC..Hα-helixtrans-66.7-35.4-179.5-57.5-5.1000111.7V519 T523 V524 K529 V530 L542 I621 C624 L625 F628V519-F527 HydrophobicContact CG1-CE2 4.45Å; V519-F527 HydrophobicContact CG1-CZ 4.37Å; T523-F527 HydrophobicContact CG2-CE1 3.7Å; T523-F527 HydrophobicContact CG2-CZ 3.82Å; T523-F527 VanDerWaalsContact O-CD1 3.26Å; T523-F527 WeakPolarHBondContact O-CD1 3.43Å; T523-F527 PolarHBondContact O-N 3.21Å; V524-F527 HydrophobicContact CG1-CD2 4.28Å; V524-F527 HydrophobicContact CG2-CD2 4.48Å; V524-F527 WeakPolarHBondContact O-CB 3.42Å; V524-F527 PolarHBondContact O-N 3.04Å; F527-K529 PolarHBondContact O-N 3.49Å; F527-K529 VanDerWaalsContact O-N 3.17Å; F527-V530 WeakPolarHBondContact O-CB 3.39Å; F527-V530 WeakPolarHBondContact O-CG2 3.42Å; F527-V530 PolarHBondContact O-N 3.21Å; F527-L542 HydrophobicContact CD1-CD2 3.99Å; F527-L542 HydrophobicContact CE1-CD2 4.24Å; F527-I621 HydrophobicContact CE1-CG2 4.19Å; F527-I621 HydrophobicContact CZ-CG2 3.95Å; F527-C624 HydrophobicContact CE2-CB 4.09Å; F527-L625 HydrophobicContact CB-CD1 4.23Å; F527-L625 HydrophobicContact CD1-CB 4.47Å; F527-L625 HydrophobicContact CD1-CD1 3.65Å; F527-L625 HydrophobicContact CD2-CD1 4.36Å; F527-L625 HydrophobicContact CE1-CB 4.07Å; F527-L625 HydrophobicContact CE1-CD1 4.05Å; F527-L625 HydrophobicContact CE2-CB 4.15Å; F527-L625 HydrophobicContact CG-CD1 3.83Å; F527-L625 HydrophobicContact CZ-CB 3.89Å; F527-F628 HydrophobicContact CB-CD1 3.78Å; F527-F628 HydrophobicContact CB-CE1 3.6Å; F527-F628 HydrophobicContact CB-CE2 4.35Å; F527-F628 HydrophobicContact CB-CG 4.25Å; F527-F628 HydrophobicContact CB-CZ 3.9Å; F527-F628 HydrophobicContact CD2-CB 4.36Å; F527-F628 HydrophobicContact CD2-CD1 4.48Å; F527-F628 HydrophobicContact CD2-CD2 4.36Å; F527-F628 HydrophobicContact CD2-CG 4.18Å
528T91.6Very high93.9Very high58 Ų5841.6 Ų41.636%0.35623%0.23SC..THydrogen-bonded Turntrans-66.4-9.6174.653.90000114.5I494 V524 Q525 L526 F628I494-T528 HydrophobicContact CB-CG2 4.43Å; V524-T528 PolarHBondContact O-N 3.27Å; V524-T528 VanDerWaalsContact O-N 3.14Å; Q525-T528 PolarHBondContact O-OG1 3.25Å; L526-T528 VanDerWaalsContact C-N 3.34Å; L526-T528 PolarHBondContact O-N 3.3Å; T528-F628 HydrophobicContact CG2-CZ 3.86Å
529K91.5Very high94.2Very high135 Ų13540 Ų4059%0.58722%0.219SC*.THydrogen-bonded Turntrans-92.8-2.2178.6-62.8170.8179.9136.30113.4Q525 L526 F527Q525-K529 WeakPolarHBondContact O-CD 3.46Å; Q525-K529 WeakPolarHBondContact O-CE 3.32Å; Q525-K529 PolarHBondContact O-NZ 3.22Å; L526-K529 WeakPolarHBondContact O-CB 3.47Å; L526-K529 PolarHBondContact O-N 3.32Å; L526-K529 VanDerWaalsContact O-N 3.16Å; F527-K529 PolarHBondContact O-N 3.49Å; F527-K529 VanDerWaalsContact O-N 3.17Å
530V92Very high94.4Very high14 Ų1439.9 Ų39.99%0.08522%0.219CC..  trans-75.7122.5178179.60000109.6F527 E534 L539 L542 L629 A639F527-V530 WeakPolarHBondContact O-CB 3.39Å; F527-V530 WeakPolarHBondContact O-CG2 3.42Å; F527-V530 PolarHBondContact O-N 3.21Å; V530-E534 HydrophobicContact CG1-CB 4.43Å; V530-E534 HydrophobicContact CG1-CG 4.14Å; V530-E534 WeakPolarHBondContact CG1-OE2 3.49Å; V530-L539 HydrophobicContact CG2-CD2 4.49Å; V530-L542 HydrophobicContact CG2-CD1 3.5Å; V530-L542 VanDerWaalsContact CG2-CD1 3.5Å; V530-L629 HydrophobicContact CB-CD2 3.83Å; V530-L629 HydrophobicContact CG1-CD1 4.06Å; V530-L629 HydrophobicContact CG1-CD2 3.64Å; V530-L629 HydrophobicContact CG2-CD2 4.27Å; V530-A639 HydrophobicContact CG1-CB 3.9Å
531T89.2Confident94.5Very high103 Ų10341.6 Ų41.663%0.63223%0.226SC*.  trans-86.1-16.4-17564.70000114.2S533 E534T531-S533 PolarHBondContact OG1-OG 2.75Å; T531-E534 WeakPolarHBondContact CB-OE1 3.34Å; T531-E534 VanDerWaalsContact N-CD 3.26Å; T531-E534 PolarHBondContact N-OE1 3.04Å; T531-E534 PolarHBondContact N-OE2 2.95Å; T531-E534 VanDerWaalsContact N-OE2 3.07Å; T531-E534 VanDerWaalsContact OG1-CD 3.28Å; T531-E534 PolarHBondContact OG1-OE1 2.83Å; T531-E534 PolarHBondContact OG1-OE2 2.95Å
532G89.5Confident94.6Very high2 Ų241.7 Ų41.72%0.02123%0.227CC..SBendtrans102-6-175.500000114.7E534 G636 A639 N769G532-E534 WeakPolarHBondContact CA-OE2 3.27Å; G532-E534 PolarHBondContact N-OE2 3.32Å; G532-G636 CarbonylContact O-C 3.6Å; G532-G636 VanDerWaalsContact O-CA 3.3Å; G532-G636 WeakPolarHBondContact O-CA 3.3Å; G532-A639 PolarHBondContact O-N 2.84Å; G532-N769 PolarHBondContact O-ND2 3.28Å
533S91.6Very high94.7Very high74 Ų7437.1 Ų37.152%0.51721%0.206SC..  trans-98.5-14.1-179.464.10000113.8T531 C638T531-S533 PolarHBondContact OG1-OG 2.75Å; S533-C638 PolarHBondContact O-SG 3.04Å; S533-C638 VanDerWaalsContact O-SG 3.36Å
534E94.6Very high94.7Very high29 Ų2937.2 Ų37.214%0.13621%0.206CC..  trans-59.5133.8-170.9-68.671.3-16500112.8V530 T531 G532 D538 L539 C638 A639V530-E534 HydrophobicContact CG1-CB 4.43Å; V530-E534 HydrophobicContact CG1-CG 4.14Å; V530-E534 WeakPolarHBondContact CG1-OE2 3.49Å; T531-E534 WeakPolarHBondContact CB-OE1 3.34Å; T531-E534 VanDerWaalsContact N-CD 3.26Å; T531-E534 PolarHBondContact N-OE1 3.04Å; T531-E534 PolarHBondContact N-OE2 2.95Å; T531-E534 VanDerWaalsContact N-OE2 3.07Å; T531-E534 VanDerWaalsContact OG1-CD 3.28Å; T531-E534 PolarHBondContact OG1-OE1 2.83Å; T531-E534 PolarHBondContact OG1-OE2 2.95Å; G532-E534 WeakPolarHBondContact CA-OE2 3.27Å; G532-E534 PolarHBondContact N-OE2 3.32Å; E534-D538 HydrophobicContact CB-CB 4.11Å; E534-D538 HydrophobicContact CG-CB 4.36Å; E534-L539 HydrophobicContact CB-CD2 3.79Å; E534-L539 HydrophobicContact CB-CG 4.25Å; E534-L539 HydrophobicContact CG-CD2 4.42Å; E534-C638 CarbonylContact O-C 3.56Å; E534-A639 HydrophobicContact CB-CB 4.33Å; E534-A639 WeakPolarHBondContact O-CA 3.33Å; E534-A639 PolarHBondContact O-N 3.48Å
535T95.6Very high94.7Very high57 Ų5742.3 Ų42.335%0.3523%0.229SC..  trans-97172.9179.971.80000111.5P537 D538 L539T535-P537 VanDerWaalsContact OG1-CD 3.29Å; T535-P537 WeakPolarHBondContact OG1-CD 3.34Å; T535-P537 WeakPolarHBondContact OG1-CG 3.21Å; T535-D538 WeakPolarHBondContact CA-OD2 3.32Å; T535-D538 WeakPolarHBondContact CB-OD2 3.37Å; T535-D538 PolarHBondContact N-OD2 3.14Å; T535-D538 WeakPolarHBondContact O-CB 3.48Å; T535-D538 PolarHBondContact O-N 3.44Å; T535-D538 PolarHBondContact OG1-OD2 3.24Å; T535-L539 PolarHBondContact O-N 3.01Å
536L95.8Very high94.8Very high14 Ų1439.5 Ų39.57%0.07322%0.216CC..Hα-helixtrans-49.9-47.8179.3-173.460000115D538 L539 V540 S642 I645 L646 W655 E656L536-D538 PolarHBondContact O-N 3.13Å; L536-L539 PolarHBondContact O-N 3.01Å; L536-V540 WeakPolarHBondContact O-CG2 3.47Å; L536-V540 PolarHBondContact O-N 3.34Å; L536-S642 PolarHBondContact N-OG 3.29Å; L536-I645 HydrophobicContact CD1-CG2 4.17Å; L536-I645 HydrophobicContact CD2-CG2 4.18Å; L536-L646 HydrophobicContact CD1-CB 3.79Å; L536-L646 HydrophobicContact CD1-CD1 4.05Å; L536-L646 HydrophobicContact CD1-CG 4.4Å; L536-W655 HydrophobicContact CD2-CE3 3.96Å; L536-W655 HydrophobicContact CD2-CZ3 3.81Å; L536-W655 HydrophobicContact CG-CZ3 4.03Å; L536-E656 WeakPolarHBondContact CD2-OE2 3.49Å
537P97.1Very high94.8Very high38 Ų3840.8 Ų40.825%0.24722%0.22CC..Hα-helixtrans-63.4-36.2174.723.2-34.2000113.8T535 V540 D541 F576T535-P537 VanDerWaalsContact OG1-CD 3.29Å; T535-P537 WeakPolarHBondContact OG1-CD 3.34Å; T535-P537 WeakPolarHBondContact OG1-CG 3.21Å; P537-V540 PolarHBondContact O-N 2.68Å; P537-D541 PolarHBondContact O-N 2.99Å; P537-F576 HydrophobicContact CB-CB 4.27Å; P537-F576 HydrophobicContact CB-CD1 4.05Å; P537-F576 HydrophobicContact CB-CD2 3.87Å; P537-F576 HydrophobicContact CB-CE1 4.3Å; P537-F576 HydrophobicContact CB-CE2 4.13Å; P537-F576 HydrophobicContact CB-CG 3.81Å; P537-F576 HydrophobicContact CB-CZ 4.33Å; P537-F576 HydrophobicContact CG-CD1 4.23Å; P537-F576 HydrophobicContact CG-CE1 4.12Å; P537-F576 HydrophobicContact CG-CG 4.48Å; P537-F576 HydrophobicContact CG-CZ 4.28Å
538D96.6Very high94.7Very high78 Ų7841.8 Ų41.842%0.41722%0.224SC..Hα-helixtrans-65.6-41.7179.5-50.3-51.3000110.7E534 T535 L536 D541 L542E534-D538 HydrophobicContact CB-CB 4.11Å; E534-D538 HydrophobicContact CG-CB 4.36Å; T535-D538 WeakPolarHBondContact CA-OD2 3.32Å; T535-D538 WeakPolarHBondContact CB-OD2 3.37Å; T535-D538 PolarHBondContact N-OD2 3.14Å; T535-D538 WeakPolarHBondContact O-CB 3.48Å; T535-D538 PolarHBondContact O-N 3.44Å; T535-D538 PolarHBondContact OG1-OD2 3.24Å; L536-D538 PolarHBondContact O-N 3.13Å; D538-D541 PolarHBondContact O-N 2.8Å; D538-L542 WeakPolarHBondContact O-CB 3.42Å; D538-L542 PolarHBondContact O-N 3.34Å
539L97.1Very high94.8Very high0 Ų039.4 Ų39.40%021%0.209CC..Hα-helixtrans-70.3-31.3175.2-60.7-174.2000112.7V530 E534 T535 L536 V543 L646V530-L539 HydrophobicContact CG2-CD2 4.49Å; E534-L539 HydrophobicContact CB-CD2 3.79Å; E534-L539 HydrophobicContact CB-CG 4.25Å; E534-L539 HydrophobicContact CG-CD2 4.42Å; T535-L539 PolarHBondContact O-N 3.01Å; L536-L539 PolarHBondContact O-N 3.01Å; L539-V543 WeakPolarHBondContact O-CB 3.2Å; L539-V543 VanDerWaalsContact O-CG2 3.29Å; L539-V543 WeakPolarHBondContact O-CG2 3.39Å; L539-V543 PolarHBondContact O-N 3.04Å; L539-L646 HydrophobicContact CB-CD2 3.62Å
540V97.6Very high94.7Very high0 Ų041.8 Ų41.80%021%0.214CC..Hα-helixtrans-65.2-42171.31680000110.9L536 P537 S544 I593 Q594 L646 W655L536-V540 WeakPolarHBondContact O-CG2 3.47Å; L536-V540 PolarHBondContact O-N 3.34Å; P537-V540 PolarHBondContact O-N 2.68Å; V540-S544 WeakPolarHBondContact O-CB 3.25Å; V540-S544 PolarHBondContact O-N 2.86Å; V540-S544 PolarHBondContact O-OG 3.47Å; V540-I593 HydrophobicContact CG1-CG2 4.16Å; V540-Q594 HydrophobicContact CG1-CG 4.25Å; V540-L646 HydrophobicContact CG2-CD1 3.58Å; V540-L646 HydrophobicContact CG2-CD2 4.28Å; V540-W655 HydrophobicContact CG2-CH2 4.18Å; V540-W655 HydrophobicContact CG2-CZ3 4.35Å
541D96.8Very high94.2Very high51 Ų5145.1 Ų45.127%0.27323%0.232SC..Hα-helixtrans-68.6-40.3176.7-173.162000112.5P537 D538 S544 K545 N590P537-D541 PolarHBondContact O-N 2.99Å; D538-D541 PolarHBondContact O-N 2.8Å; D541-S544 WeakPolarHBondContact O-CB 3.35Å; D541-S544 PolarHBondContact O-N 3.19Å; D541-K545 WeakPolarHBondContact O-CG 3.22Å; D541-K545 PolarHBondContact O-N 2.9Å; D541-K545 WeakPolarHBondContact OD2-CE 3.21Å; D541-K545 IonicContact OD2-NZ 2.98Å; D541-K545 PolarHBondContact OD2-NZ 2.97Å; D541-N590 WeakPolarHBondContact CA-ND2 3.45Å; D541-N590 PolarHBondContact OD1-ND2 3.07Å
542L97Very high94.1Very high24 Ų2440.4 Ų40.413%0.12620%0.203CC..Hα-helixtrans-59.6-48.1172.5-175.6155.3000111.7L526 F527 V530 D538 S544 K545 L625L526-L542 HydrophobicContact CB-CD2 4.31Å; L526-L542 HydrophobicContact CB-CG 4.38Å; F527-L542 HydrophobicContact CD1-CD2 3.99Å; F527-L542 HydrophobicContact CE1-CD2 4.24Å; V530-L542 HydrophobicContact CG2-CD1 3.5Å; V530-L542 VanDerWaalsContact CG2-CD1 3.5Å; D538-L542 WeakPolarHBondContact O-CB 3.42Å; D538-L542 PolarHBondContact O-N 3.34Å; L542-S544 VanDerWaalsContact C-N 3.28Å; L542-S544 PolarHBondContact O-N 2.86Å; L542-K545 PolarHBondContact O-N 2.83Å; L542-L625 HydrophobicContact CD2-CD1 4.4Å; L542-L625 HydrophobicContact CD2-CD2 4.32Å
543V97Very high93.9Very high0 Ų043.2 Ų43.20%022%0.215CC..Hα-helixtrans-61.2-39.3174.9169.50000110.6L539 K545 S546 F549 I621 L625 L646 F650L539-V543 WeakPolarHBondContact O-CB 3.2Å; L539-V543 VanDerWaalsContact O-CG2 3.29Å; L539-V543 WeakPolarHBondContact O-CG2 3.39Å; L539-V543 PolarHBondContact O-N 3.04Å; V543-K545 PolarHBondContact O-N 2.85Å; V543-K545 VanDerWaalsContact O-N 3.1Å; V543-S546 WeakPolarHBondContact O-CB 3.38Å; V543-S546 PolarHBondContact O-N 3Å; V543-S546 PolarHBondContact O-OG 2.82Å; V543-F549 HydrophobicContact CG1-CE2 3.99Å; V543-F549 WeakPolarHBondContact O-CD2 3.46Å; V543-F549 WeakPolarHBondContact O-CE2 3.36Å; V543-I621 HydrophobicContact CG1-CG2 4.21Å; V543-I621 HydrophobicContact CG2-CG2 4.25Å; V543-L625 HydrophobicContact CG2-CD2 3.83Å; V543-L646 HydrophobicContact CG2-CD2 4.12Å; V543-F650 HydrophobicContact CG1-CE2 4.01Å; V543-F650 HydrophobicContact CG1-CZ 3.83Å
544S96.9Very high93.7Very high2 Ų241 Ų411%0.01420%0.197CC..Hα-helixtrans-64.1-16179.1-57.10000114.7V540 D541 L542 N590 I593V540-S544 WeakPolarHBondContact O-CB 3.25Å; V540-S544 PolarHBondContact O-N 2.86Å; V540-S544 PolarHBondContact O-OG 3.47Å; D541-S544 WeakPolarHBondContact O-CB 3.35Å; D541-S544 PolarHBondContact O-N 3.19Å; L542-S544 VanDerWaalsContact C-N 3.28Å; L542-S544 PolarHBondContact O-N 2.86Å; S544-N590 WeakPolarHBondContact OG-CA 3.43Å; S544-N590 VanDerWaalsContact OG-CB 3.26Å; S544-N590 WeakPolarHBondContact OG-CB 3.24Å; S544-N590 PolarHBondContact OG-N 2.79Å; S544-I593 WeakPolarHBondContact OG-CD1 3.45Å
545K96.6Very high93.1Very high109 Ų10941.2 Ų41.247%0.47420%0.197SC..THydrogen-bonded Turntrans-94.41.4176.3-70.1161.7174.71700113.9L526 D541 L542 V543 E586L526-K545 HydrophobicContact CD1-CB 4.01Å; L526-K545 WeakPolarHBondContact CD1-O 3.46Å; D541-K545 WeakPolarHBondContact O-CG 3.22Å; D541-K545 PolarHBondContact O-N 2.9Å; D541-K545 WeakPolarHBondContact OD2-CE 3.21Å; D541-K545 IonicContact OD2-NZ 2.98Å; D541-K545 PolarHBondContact OD2-NZ 2.97Å; L542-K545 PolarHBondContact O-N 2.83Å; V543-K545 PolarHBondContact O-N 2.85Å; V543-K545 VanDerWaalsContact O-N 3.1Å; K545-E586 HydrophobicContact CG-CB 4.14Å; K545-E586 HydrophobicContact CG-CG 4.05Å
546S96.7Very high92.4Very high3 Ų344.1 Ų44.12%0.02122%0.215CC..  trans-66.9141.2-175.6-60.10000112.7T523 V543 E548 F549T523-S546 WeakPolarHBondContact CG2-OG 3.37Å; V543-S546 WeakPolarHBondContact O-CB 3.38Å; V543-S546 PolarHBondContact O-N 3Å; V543-S546 PolarHBondContact O-OG 2.82Å; S546-E548 WeakPolarHBondContact CB-OE2 3.25Å; S546-E548 PolarHBondContact O-N 2.93Å; S546-E548 VanDerWaalsContact O-N 3.16Å; S546-F549 PolarHBondContact O-N 2.95Å
547K94.8Very high91.7Very high65 Ų6548.5 Ų48.528%0.28324%0.238SC..G310 helixtrans-57-32.1-174.6178.156.2160.6-123.20113.4A520 E522 T523 F549 R550A520-K547 HydrophobicContact CB-CB 4.01Å; A520-K547 HydrophobicContact CB-CG 4.02Å; E522-K547 HydrophobicContact CB-CB 4.16Å; E522-K547 HydrophobicContact CB-CG 4.39Å; E522-K547 IonicContact OE1-NZ 3.45Å; E522-K547 PolarHBondContact OE1-NZ 2.81Å; E522-K547 WeakPolarHBondContact OE2-CD 3.27Å; E522-K547 WeakPolarHBondContact OE2-CE 3.38Å; E522-K547 IonicContact OE2-NZ 2.84Å; E522-K547 PolarHBondContact OE2-NZ 3.49Å; T523-K547 WeakPolarHBondContact OG1-CB 3.31Å; T523-K547 PolarHBondContact OG1-N 3.38Å; K547-F549 PolarHBondContact O-N 3.23Å; K547-F549 VanDerWaalsContact O-N 3.15Å; K547-R550 WeakPolarHBondContact O-CB 3.46Å; K547-R550 PolarHBondContact O-N 2.75Å; K547-R550 VanDerWaalsContact O-N 3.08Å
548E93.3Very high91.3Very high22 Ų2246.8 Ų46.810%0.10323%0.227CC..G310 helixtrans-62.3-16.4176.2-6381171.600114.1V519 A520 T523 S546 I617 I621V519-E548 WeakPolarHBondContact CA-OE1 3.39Å; V519-E548 WeakPolarHBondContact CG1-OE1 3.19Å; A520-E548 PolarHBondContact N-OE1 3.1Å; T523-E548 WeakPolarHBondContact CB-OE2 3.38Å; T523-E548 PolarHBondContact OG1-OE2 2.71Å; S546-E548 WeakPolarHBondContact CB-OE2 3.25Å; S546-E548 PolarHBondContact O-N 2.93Å; S546-E548 VanDerWaalsContact O-N 3.16Å; E548-I617 HydrophobicContact CB-CG2 3.52Å; E548-I617 HydrophobicContact CG-CG2 4.21Å; E548-I621 HydrophobicContact CB-CD1 3.9Å; E548-I621 HydrophobicContact CG-CD1 3.96Å
549F93.8Very high90.9Very high8 Ų846.8 Ų46.84%0.03522%0.223CC..G310 helixtrans-96.22.4176.3-58.3-55.1000113.8V543 S546 K547 D551 V552 V589 I614 I617 I621V543-F549 HydrophobicContact CG1-CE2 3.99Å; V543-F549 WeakPolarHBondContact O-CD2 3.46Å; V543-F549 WeakPolarHBondContact O-CE2 3.36Å; S546-F549 PolarHBondContact O-N 2.95Å; K547-F549 PolarHBondContact O-N 3.23Å; K547-F549 VanDerWaalsContact O-N 3.15Å; F549-D551 PolarHBondContact O-N 3.16Å; F549-D551 VanDerWaalsContact O-N 3.09Å; F549-V552 WeakPolarHBondContact O-CB 3.43Å; F549-V552 PolarHBondContact O-N 3.18Å; F549-V589 HydrophobicContact CB-CG1 4.45Å; F549-V589 HydrophobicContact CB-CG2 4.06Å; F549-V589 HydrophobicContact CD1-CG1 4.42Å; F549-V589 HydrophobicContact CD2-CG1 3.99Å; F549-V589 HydrophobicContact CE2-CG1 4.33Å; F549-V589 HydrophobicContact CG-CG1 4.04Å; F549-V589 HydrophobicContact CG-CG2 4.44Å; F549-I614 HydrophobicContact CD1-CG1 4.26Å; F549-I614 HydrophobicContact CE1-CB 4.26Å; F549-I614 HydrophobicContact CE1-CG1 4.3Å; F549-I614 HydrophobicContact CE1-CG2 4.02Å; F549-I614 HydrophobicContact CZ-CG2 4.34Å; F549-I617 HydrophobicContact CD1-CG2 4.09Å; F549-I617 HydrophobicContact CE1-CB 3.77Å; F549-I617 HydrophobicContact CE1-CG2 3.44Å; F549-I617 VanDerWaalsContact CE1-CG2 3.44Å; F549-I617 HydrophobicContact CZ-CB 4.36Å; F549-I617 HydrophobicContact CZ-CG2 3.79Å; F549-I621 HydrophobicContact CE2-CD1 3.9Å; F549-I621 HydrophobicContact CZ-CD1 3.99Å
550R88.6Confident90.7Very high184 Ų18455 Ų5569%0.69426%0.259SS*.THydrogen-bonded Turntrans-52.7-32.9179.8-174.2-179.1-174.2-165.83.7113.6K547 V552K547-R550 WeakPolarHBondContact O-CB 3.46Å; K547-R550 PolarHBondContact O-N 2.75Å; K547-R550 VanDerWaalsContact O-N 3.08Å; R550-V552 PolarHBondContact O-N 2.69Å
551D82.8Confident90.4Very high84 Ų8457.5 Ų57.545%0.44927%0.274SS..THydrogen-bonded Turntrans-64.1-26.6176.6-54.6-6.6000113.2A367 F549 Q553 K613A367-D551 HydrophobicContact CB-CB 4.4Å; A367-D551 WeakPolarHBondContact CB-O 3.34Å; F549-D551 PolarHBondContact O-N 3.16Å; F549-D551 VanDerWaalsContact O-N 3.09Å; D551-Q553 PolarHBondContact O-N 2.91Å; D551-Q553 VanDerWaalsContact O-N 3.12Å; D551-K613 IonicContact OD2-NZ 2.74Å; D551-K613 PolarHBondContact OD2-NZ 3.26Å
552V87.1Confident90.2Very high5 Ų555 Ų553%0.0326%0.261CS..  trans-78.899.6-171.8-176.60000109.4F549 R550 S585 K588 V589 I614F549-V552 WeakPolarHBondContact O-CB 3.43Å; F549-V552 PolarHBondContact O-N 3.18Å; R550-V552 PolarHBondContact O-N 2.69Å; V552-S585 WeakPolarHBondContact O-CB 3.45Å; V552-S585 PolarHBondContact O-OG 2.99Å; V552-K588 HydrophobicContact CG1-CD 4.35Å; V552-V589 HydrophobicContact CB-CG2 3.94Å; V552-V589 HydrophobicContact CG1-CG2 3.85Å; V552-V589 HydrophobicContact CG2-CG2 4.37Å; V552-I614 HydrophobicContact CG1-CD1 4.32Å; V552-I614 HydrophobicContact CG2-CG1 4.23Å
553Q84.8Confident90.1Very high60 Ų6055.6 Ų55.628%0.2826%0.264SS..  trans-97.9143.9-176.7-65.8173.533.600112.5G368 S369 D551 R555 K588G368-Q553 VanDerWaalsContact C-OE1 3.25Å; S369-Q553 VanDerWaalsContact CB-OE1 3.28Å; S369-Q553 PolarHBondContact OG-NE2 2.98Å; D551-Q553 PolarHBondContact O-N 2.91Å; D551-Q553 VanDerWaalsContact O-N 3.12Å; Q553-R555 PolarHBondContact O-N 2.77Å; Q553-K588 PolarHBondContact O-NZ 3.12Å
554L86.8Confident89.9Confident27 Ų2757.4 Ų57.414%0.14128%0.275CS..  trans-83104.7178.2174.460.6000111.9K559 L562 I582 K583 K588L554-K559 HydrophobicContact CD1-CG 3.89Å; L554-K559 HydrophobicContact CD2-CG 4.31Å; L554-K559 HydrophobicContact CG-CG 4.15Å; L554-L562 HydrophobicContact CD1-CD1 3.35Å; L554-I582 HydrophobicContact CD1-CG2 4.11Å; L554-I582 HydrophobicContact CD2-CG2 3.91Å; L554-K583 WeakPolarHBondContact CD2-O 3.19Å; L554-K588 HydrophobicContact CB-CD 4.21Å; L554-K588 HydrophobicContact CD1-CB 4.26Å; L554-K588 HydrophobicContact CD1-CD 3.97Å
555R82Confident89.8Confident34 Ų3458 Ų5813%0.12828%0.278CS..  trans-78.9156.1179.1-48.2-175.7-178.794.517.9111.7Y365 A367 Q553 N557 E558 E610Y365-R555 WeakPolarHBondContact OH-CD 3.22Å; Y365-R555 PolarHBondContact OH-NE 2.94Å; A367-R555 PolarHBondContact O-NH2 3.28Å; Q553-R555 PolarHBondContact O-N 2.77Å; R555-N557 WeakPolarHBondContact CB-OD1 3.42Å; R555-E558 HydrophobicContact CB-CG 4.05Å; R555-E558 WeakPolarHBondContact CB-OE2 3.35Å; R555-E558 VanDerWaalsContact CD-OE1 3.25Å; R555-E558 WeakPolarHBondContact CD-OE1 3.42Å; R555-E558 WeakPolarHBondContact CG-OE2 3.39Å; R555-E558 IonicContact CZ-OE1 2.92Å; R555-E558 PolarHBondContact N-OE2 2.73Å; R555-E558 VanDerWaalsContact N-OE2 3.11Å; R555-E558 IonicContact NE-OE1 2.73Å; R555-E558 IonicContact NH1-OE1 2.83Å; R555-E558 PolarHBondContact NH1-OE1 2.83Å; R555-E610 IonicContact CZ-OE1 2.65Å; R555-E610 IonicContact NH1-OE1 3.27Å; R555-E610 PolarHBondContact NH1-OE1 3.48Å; R555-E610 IonicContact NH1-OE2 3.52Å; R555-E610 IonicContact NH2-OE1 3.89Å; R555-E610 PolarHBondContact NH2-OE1 2.92Å
556V82.3Confident89.7Confident119 Ų11952.8 Ų52.872%0.72126%0.256SS*.THydrogen-bonded Turntrans-69.7-41.6-176.31800000112.3E558 K559V556-E558 VanDerWaalsContact C-N 3.31Å; V556-E558 PolarHBondContact O-N 2.98Å; V556-K559 WeakPolarHBondContact O-CB 3.42Å; V556-K559 PolarHBondContact O-N 3.17Å
557N81.5Confident89.5Confident106 Ų10659.3 Ų59.357%0.56728%0.28SS*.THydrogen-bonded Turntrans-62.1-36.1178.458.4-55.9000112.7R555 K559R555-N557 WeakPolarHBondContact CB-OD1 3.42Å; N557-K559 VanDerWaalsContact C-N 3.32Å; N557-K559 PolarHBondContact O-N 3.17Å
558E86.8Confident89.2Confident2 Ų258.9 Ų58.91%0.00928%0.28CS..Hα-helixtrans-72.9-22.8-177.8-64.3164.7172.400113.2R555 V556 K560 T561 L562 K588 L607R555-E558 HydrophobicContact CB-CG 4.05Å; R555-E558 WeakPolarHBondContact CB-OE2 3.35Å; R555-E558 VanDerWaalsContact CD-OE1 3.25Å; R555-E558 WeakPolarHBondContact CD-OE1 3.42Å; R555-E558 WeakPolarHBondContact CG-OE2 3.39Å; R555-E558 IonicContact CZ-OE1 2.92Å; R555-E558 PolarHBondContact N-OE2 2.73Å; R555-E558 VanDerWaalsContact N-OE2 3.11Å; R555-E558 IonicContact NE-OE1 2.73Å; R555-E558 IonicContact NH1-OE1 2.83Å; R555-E558 PolarHBondContact NH1-OE1 2.83Å; V556-E558 VanDerWaalsContact C-N 3.31Å; V556-E558 PolarHBondContact O-N 2.98Å; E558-K560 PolarHBondContact O-N 2.92Å; E558-K560 VanDerWaalsContact O-N 3.1Å; E558-T561 PolarHBondContact O-N 2.9Å; E558-T561 VanDerWaalsContact O-N 3.09Å; E558-L562 HydrophobicContact CB-CD1 3.85Å; E558-L562 HydrophobicContact CB-CG 4.39Å; E558-L562 WeakPolarHBondContact O-CB 3.31Å; E558-L562 WeakPolarHBondContact O-CG 3.38Å; E558-L562 PolarHBondContact O-N 2.95Å; E558-K588 IonicContact OE1-NZ 3.76Å; E558-K588 IonicContact OE2-NZ 3.68Å; E558-K588 PolarHBondContact OE2-NZ 3.48Å; E558-L607 HydrophobicContact CB-CD1 4.41Å; E558-L607 HydrophobicContact CB-CD2 4.18Å; E558-L607 HydrophobicContact CG-CD1 4.42Å; E558-L607 HydrophobicContact CG-CD2 3.86Å; E558-L607 HydrophobicContact CG-CG 4.13Å
559K90.1Very high88.8Confident77 Ų7767.5 Ų67.534%0.33532%0.317SS..Hα-helixtrans-56.9-29.8-176.2-75.1174.2-176-178.90112.5L554 V556 N557 N563L554-K559 HydrophobicContact CD1-CG 3.89Å; L554-K559 HydrophobicContact CD2-CG 4.31Å; L554-K559 HydrophobicContact CG-CG 4.15Å; V556-K559 WeakPolarHBondContact O-CB 3.42Å; V556-K559 PolarHBondContact O-N 3.17Å; N557-K559 VanDerWaalsContact C-N 3.32Å; N557-K559 PolarHBondContact O-N 3.17Å; K559-N563 WeakPolarHBondContact O-CB 3.38Å; K559-N563 PolarHBondContact O-N 3.14Å; K559-N563 PolarHBondContact O-ND2 2.76Å
560K91.3Very high88.4Confident174 Ų17474.3 Ų74.376%0.75735%0.354SS*.Hα-helixtrans-65.6-57.6174-172.6178.5178.5-177.20110.5E558 L562 N563 T564E558-K560 PolarHBondContact O-N 2.92Å; E558-K560 VanDerWaalsContact O-N 3.1Å; K560-L562 PolarHBondContact O-N 3.34Å; K560-N563 PolarHBondContact O-N 3.47Å; K560-T564 PolarHBondContact O-N 3.38Å; K560-T564 PolarHBondContact O-OG1 2.71Å
561T91.4Very high88.2Confident51 Ų5173.3 Ų73.331%0.31335%0.35SS..Hα-helixtrans-56.6-47.4-179.8-47.40000112.2E558 N563 T564 L565 L607E558-T561 PolarHBondContact O-N 2.9Å; E558-T561 VanDerWaalsContact O-N 3.09Å; T561-N563 PolarHBondContact O-N 3.5Å; T561-T564 PolarHBondContact O-N 2.72Å; T561-L565 WeakPolarHBondContact O-CG 3.44Å; T561-L565 PolarHBondContact O-N 2.72Å; T561-L607 HydrophobicContact CG2-CD1 4.12Å
562L93.8Very high88.4Confident0 Ų072.8 Ų72.80%036%0.358CS..Hα-helixtrans-63.5-38.7179.6-69.7167.8000112.4L554 E558 K560 L565 N566 I582 K588 L592 L607L554-L562 HydrophobicContact CD1-CD1 3.35Å; E558-L562 HydrophobicContact CB-CD1 3.85Å; E558-L562 HydrophobicContact CB-CG 4.39Å; E558-L562 WeakPolarHBondContact O-CB 3.31Å; E558-L562 WeakPolarHBondContact O-CG 3.38Å; E558-L562 PolarHBondContact O-N 2.95Å; K560-L562 PolarHBondContact O-N 3.34Å; L562-L565 PolarHBondContact O-N 2.7Å; L562-N566 PolarHBondContact O-N 3.45Å; L562-I582 HydrophobicContact CB-CD1 3.94Å; L562-I582 WeakPolarHBondContact O-CD1 3.39Å; L562-K588 HydrophobicContact CD1-CB 4.32Å; L562-K588 HydrophobicContact CD1-CD 3.93Å; L562-K588 HydrophobicContact CD1-CG 3.86Å; L562-K588 HydrophobicContact CD2-CG 4.26Å; L562-L592 HydrophobicContact CD2-CD2 3.92Å; L562-L592 HydrophobicContact CD2-CG 4.18Å; L562-L607 HydrophobicContact CD1-CD2 4.39Å; L562-L607 HydrophobicContact CD2-CD1 4.02Å; L562-L607 HydrophobicContact CD2-CD2 4.26Å; L562-L607 HydrophobicContact CG-CD1 4.08Å; L562-L607 HydrophobicContact CG-CD2 4.48Å
563N94.3Very high88.7Confident35 Ų3574.7 Ų74.719%0.18737%0.37CS..Hα-helixtrans-72.6-31.5176.2-77.1-67.6000112.8K559 K560 T561 N566 R567 K581 I582K559-N563 WeakPolarHBondContact O-CB 3.38Å; K559-N563 PolarHBondContact O-N 3.14Å; K559-N563 PolarHBondContact O-ND2 2.76Å; K560-N563 PolarHBondContact O-N 3.47Å; T561-N563 PolarHBondContact O-N 3.5Å; N563-N566 WeakPolarHBondContact O-CB 3.48Å; N563-N566 PolarHBondContact O-N 3.45Å; N563-R567 PolarHBondContact O-N 3Å; N563-K581 WeakPolarHBondContact OD1-CA 3.35Å; N563-I582 PolarHBondContact OD1-N 3.1Å
564T93.2Very high89.2Confident38 Ų3872 Ų7223%0.23336%0.357CS..Hα-helixtrans-65.4-38.4169.3-69.10000112.1K560 T561 N566 D568K560-T564 PolarHBondContact O-N 3.38Å; K560-T564 PolarHBondContact O-OG1 2.71Å; T561-T564 PolarHBondContact O-N 2.72Å; T564-N566 VanDerWaalsContact C-N 3.32Å; T564-D568 HydrophobicContact CG2-CB 4.22Å
565L94Very high89.5Confident14 Ų1474.6 Ų74.67%0.07337%0.365CS..Hα-helixtrans-65-36.3171.6-69.4171.7000111.8T561 L562 T573 I574 A595 I600 I602T561-L565 WeakPolarHBondContact O-CG 3.44Å; T561-L565 PolarHBondContact O-N 2.72Å; L562-L565 PolarHBondContact O-N 2.7Å; L565-T573 WeakPolarHBondContact O-CA 3.3Å; L565-T573 WeakPolarHBondContact O-CB 3.47Å; L565-I574 PolarHBondContact O-N 2.59Å; L565-A595 HydrophobicContact CD1-CB 4.36Å; L565-A595 HydrophobicContact CD2-CB 4.42Å; L565-I600 HydrophobicContact CD2-CB 4.49Å; L565-I600 HydrophobicContact CD2-CG2 3.58Å; L565-I602 HydrophobicContact CD1-CG1 4.45Å
566N94.4Very high90.2Very high1 Ų175.7 Ų75.71%0.00537%0.371CS..Hα-helixtrans-66.9-56.8177.5-169.933.7000112.5L562 N563 T564 I574 P577 L578 G580 I582L562-N566 PolarHBondContact O-N 3.45Å; N563-N566 WeakPolarHBondContact O-CB 3.48Å; N563-N566 PolarHBondContact O-N 3.45Å; T564-N566 VanDerWaalsContact C-N 3.32Å; N566-I574 WeakPolarHBondContact OD1-CD1 3.41Å; N566-P577 WeakPolarHBondContact OD1-CA 3.27Å; N566-L578 PolarHBondContact ND2-O 3.29Å; N566-L578 PolarHBondContact OD1-N 2.95Å; N566-L578 PolarHBondContact OD1-O 3.48Å; N566-G580 PolarHBondContact ND2-O 3.21Å; N566-I582 HydrophobicContact CB-CD1 4.07Å
567R91.9Very high90.7Very high140 Ų14072.7 Ų72.753%0.52835%0.354SS..SBendtrans-149.8110.4-173.2-63-178.8-172.7-150.5-5.3111N563 P577 L578N563-R567 PolarHBondContact O-N 3Å; R567-P577 HydrophobicContact CG-CB 3.87Å; R567-P577 PolarHBondContact NH2-O 3Å; R567-L578 VanDerWaalsContact CZ-O 3.31Å; R567-L578 PolarHBondContact NE-O 3.48Å; R567-L578 PolarHBondContact NH2-O 2.9Å
568D89.4Confident91.3Very high55 Ų5568.9 Ų68.929%0.29433%0.333SS..  trans-138.5158.5172-165-72.2000108.8T564 N570 R571 T573T564-D568 HydrophobicContact CG2-CB 4.22Å; D568-N570 PolarHBondContact OD1-N 3.24Å; D568-R571 HydrophobicContact CB-CB 4.24Å; D568-R571 PolarHBondContact OD1-N 3.11Å; D568-T573 HydrophobicContact CB-CG2 4.15Å; D568-T573 VanDerWaalsContact N-CG2 3.29Å
569K83.8Confident91.6Very high203 Ų20376.8 Ų76.888%0.88337%0.37SS*.SBendtrans-97.4-18.3-179.7-68.1-171.2177.8-175.40113.8
570N86.1Confident91.6Very high151 Ų15175.8 Ų75.881%0.80738%0.382SS*.SBendtrans-120.46.4-166.9-58.5-24.7000112.2D568D568-N570 PolarHBondContact OD1-N 3.24Å
571R85.4Confident91.7Very high163 Ų16374.7 Ų74.762%0.61538%0.377SS*.SBendtrans-140.4157.7-174.5-62.9-176.9174-146.8-4.2110.4D568D568-R571 HydrophobicContact CB-CB 4.24Å; D568-R571 PolarHBondContact OD1-N 3.11Å
572A85.5Confident91.8Very high73 Ų7372.4 Ų72.460%0.60336%0.363SS*.  trans-66.8130.9168.700000110.3I600A572-I600 HydrophobicContact CB-CD1 4.48Å; A572-I600 HydrophobicContact CB-CG1 4.32Å
573T93Very high91.8Very high46 Ų4680.2 Ų80.228%0.28240%0.397SS..  trans-114.4169.6179.659.30000111.3L565 D568 I600L565-T573 WeakPolarHBondContact O-CA 3.3Å; L565-T573 WeakPolarHBondContact O-CB 3.47Å; D568-T573 HydrophobicContact CB-CG2 4.15Å; D568-T573 VanDerWaalsContact N-CG2 3.29Å; T573-I600 VanDerWaalsContact C-CD1 3.41Å; T573-I600 WeakPolarHBondContact O-CD1 3.48Å
574I95.4Very high91.8Very high2 Ų281.3 Ų81.31%0.0141%0.405CS..  trans-57.6151.2171.967.6179.8000112.2L565 N566 F576 L578 C591 Q594 A595L565-I574 PolarHBondContact O-N 2.59Å; N566-I574 WeakPolarHBondContact OD1-CD1 3.41Å; I574-F576 PolarHBondContact O-N 3.32Å; I574-L578 HydrophobicContact CD1-CG 4.26Å; I574-C591 HydrophobicContact CD1-CB 4.47Å; I574-Q594 HydrophobicContact CB-CB 3.67Å; I574-Q594 HydrophobicContact CG2-CB 3.74Å; I574-A595 HydrophobicContact CG2-CB 4.21Å
575R94.8Very high91.7Very high83 Ų8381 Ų8131%0.31340%0.404SS..SBendtrans-67.2-33-172.3-179.1179174.6-174-0.1113.5W655 E656R575-W655 HydrophobicContact CB-CZ2 3.99Å; R575-W655 VanDerWaalsContact NH1-CE3 3.35Å; R575-E656 IonicContact CZ-OE1 3.91Å; R575-E656 VanDerWaalsContact CZ-OE1 3.23Å; R575-E656 IonicContact CZ-OE2 3.78Å; R575-E656 IonicContact NH1-OE1 2.71Å; R575-E656 PolarHBondContact NH1-OE1 2.71Å; R575-E656 IonicContact NH1-OE2 2.83Å; R575-E656 PolarHBondContact NH1-OE2 3.43Å; R575-E656 IonicContact NH2-OE1 3.73Å; R575-E656 PolarHBondContact NH2-OE1 2.88Å
576F95.4Very high91.8Very high57 Ų5784 Ų8425%0.2542%0.418CS..SBendtrans-124.885.6-178.6-50.1-69.4000109P537 I574 L578 Q594 W655P537-F576 HydrophobicContact CB-CB 4.27Å; P537-F576 HydrophobicContact CB-CD1 4.05Å; P537-F576 HydrophobicContact CB-CD2 3.87Å; P537-F576 HydrophobicContact CB-CE1 4.3Å; P537-F576 HydrophobicContact CB-CE2 4.13Å; P537-F576 HydrophobicContact CB-CG 3.81Å; P537-F576 HydrophobicContact CB-CZ 4.33Å; P537-F576 HydrophobicContact CG-CD1 4.23Å; P537-F576 HydrophobicContact CG-CE1 4.12Å; P537-F576 HydrophobicContact CG-CG 4.48Å; P537-F576 HydrophobicContact CG-CZ 4.28Å; I574-F576 PolarHBondContact O-N 3.32Å; F576-L578 PolarHBondContact O-N 2.94Å; F576-Q594 PolarHBondContact O-NE2 2.85Å; F576-Q594 PolarHBondContact O-OE1 2.76Å; F576-W655 AromaticContact CD2-CH2 3.86Å; F576-W655 HydrophobicContact CD2-CH2 3.86Å; F576-W655 HydrophobicContact CD2-CZ2 4.14Å; F576-W655 AromaticContact CE2-CH2 3.54Å; F576-W655 HydrophobicContact CE2-CH2 3.54Å; F576-W655 HydrophobicContact CE2-CZ2 4.03Å; F576-W655 AromaticContact CE2-CZ3 3.9Å; F576-W655 HydrophobicContact CE2-CZ3 3.9Å
577P94.1Very high91.9Very high56 Ų5685.9 Ų85.936%0.36443%0.427SS..  trans-66.2114.3-172-25.336.6000114.1N566 R567N566-P577 WeakPolarHBondContact OD1-CA 3.27Å; R567-P577 HydrophobicContact CG-CB 3.87Å; R567-P577 PolarHBondContact NH2-O 3Å
578L94.3Very high92Very high25 Ų2579.2 Ų79.213%0.13140%0.402CS..  trans-55148176.7-56.7176.8000112.1N566 R567 I574 F576 I582 M587 N590 C591N566-L578 PolarHBondContact ND2-O 3.29Å; N566-L578 PolarHBondContact OD1-N 2.95Å; N566-L578 PolarHBondContact OD1-O 3.48Å; R567-L578 VanDerWaalsContact CZ-O 3.31Å; R567-L578 PolarHBondContact NE-O 3.48Å; R567-L578 PolarHBondContact NH2-O 2.9Å; I574-L578 HydrophobicContact CD1-CG 4.26Å; F576-L578 PolarHBondContact O-N 2.94Å; L578-I582 HydrophobicContact CD1-CD1 4.35Å; L578-I582 HydrophobicContact CD1-CG1 4.22Å; L578-M587 HydrophobicContact CB-CE 4.1Å; L578-M587 HydrophobicContact CD1-CB 4.01Å; L578-M587 HydrophobicContact CD1-CE 4.45Å; L578-M587 HydrophobicContact CD1-CG 4.47Å; L578-M587 VanDerWaalsContact CD1-O 3.23Å; L578-M587 WeakPolarHBondContact CD1-O 3.23Å; L578-N590 HydrophobicContact CD1-CB 4.28Å; L578-N590 HydrophobicContact CD2-CB 4.43Å; L578-C591 HydrophobicContact CD1-CB 4.3Å
579E91.4Very high92.4Very high168 Ų16876.6 Ų76.679%0.78539%0.388SS*.SBendtrans-69.7136.6-177.5-61.8-157.7144.200113.3M587E579-M587 WeakPolarHBondContact O-CE 3.46Å
580G90.9Very high93.1Very high56 Ų5667.1 Ų67.158%0.57735%0.347SS*.SBendtrans63-134.2177.300000113.8N566N566-G580 PolarHBondContact ND2-O 3.21Å
581K93.3Very high93.6Very high152 Ų15260 Ų6066%0.66131%0.308SS*.SBendtrans-106.3142.8177.7-67.1-177.3-178.9178.20110.1N563 K583N563-K581 WeakPolarHBondContact OD1-CA 3.35Å; K581-K583 WeakPolarHBondContact O-CG 3.47Å; K581-K583 PolarHBondContact O-N 3.36Å
582I94.2Very high94.2Very high3 Ų352.2 Ų52.22%0.01528%0.279CS..  trans-61.3117.2173.6-69.6173.1000109.8L554 L562 N563 N566 L578 M587 K588 C591L554-I582 HydrophobicContact CD1-CG2 4.11Å; L554-I582 HydrophobicContact CD2-CG2 3.91Å; L562-I582 HydrophobicContact CB-CD1 3.94Å; L562-I582 WeakPolarHBondContact O-CD1 3.39Å; N563-I582 PolarHBondContact OD1-N 3.1Å; N566-I582 HydrophobicContact CB-CD1 4.07Å; L578-I582 HydrophobicContact CD1-CD1 4.35Å; L578-I582 HydrophobicContact CD1-CG1 4.22Å; I582-M587 HydrophobicContact CB-CB 4.45Å; I582-M587 HydrophobicContact CG1-CB 4.3Å; I582-M587 HydrophobicContact CG1-CE 4.39Å; I582-M587 HydrophobicContact CG2-CB 3.97Å; I582-K588 HydrophobicContact CG2-CB 4.43Å; I582-C591 HydrophobicContact CD1-CB 3.57Å
583K93.4Very high94.8Very high163 Ų16348.7 Ų48.771%0.70925%0.25SS*.  trans-121-25.8-172.8-78.5168.5-177.8179.30114.2L554 K581 M587L554-K583 WeakPolarHBondContact CD2-O 3.19Å; K581-K583 WeakPolarHBondContact O-CG 3.47Å; K581-K583 PolarHBondContact O-N 3.36Å; K583-M587 HydrophobicContact CB-SD 4.24Å; K583-M587 PolarHBondContact N-SD 2.89Å; K583-M587 VanDerWaalsContact N-SD 3.42Å
584T93.4Very high95Very high59 Ų5946.7 Ų46.736%0.36224%0.238SC..SBendtrans-122.5170.9-172.778.40000112.2E586 M587 K588T584-E586 WeakPolarHBondContact CB-OE2 3.19Å; T584-E586 PolarHBondContact OG1-OE2 3.49Å; T584-M587 WeakPolarHBondContact OG1-CG 3.48Å; T584-M587 PolarHBondContact OG1-N 2.61Å; T584-K588 PolarHBondContact O-N 3.42Å
585S92.5Very high95Very high30 Ų3046.6 Ų46.621%0.2124%0.237CC..Hα-helixtrans-67.5-39.5177.4-81.10000112.8V552 M587 K588 V589V552-S585 WeakPolarHBondContact O-CB 3.45Å; V552-S585 PolarHBondContact O-OG 2.99Å; S585-M587 VanDerWaalsContact C-N 3.35Å; S585-M587 PolarHBondContact O-N 3.3Å; S585-K588 WeakPolarHBondContact O-CA 3.06Å; S585-K588 WeakPolarHBondContact O-CB 3.41Å; S585-K588 PolarHBondContact O-N 3.12Å; S585-K588 VanDerWaalsContact O-N 3.07Å; S585-V589 WeakPolarHBondContact O-CG2 3.36Å; S585-V589 PolarHBondContact O-N 2.81Å
586E94.9Very high95.1Very high79 Ų7944.8 Ų44.837%0.36923%0.232SC..Hα-helixtrans-66.2-41-179.2-46.470.4-148.200109.8K545 T584 K588 V589 N590K545-E586 HydrophobicContact CG-CB 4.14Å; K545-E586 HydrophobicContact CG-CG 4.05Å; T584-E586 WeakPolarHBondContact CB-OE2 3.19Å; T584-E586 PolarHBondContact OG1-OE2 3.49Å; E586-K588 VanDerWaalsContact C-N 3.3Å; E586-K588 PolarHBondContact O-N 3.38Å; E586-V589 PolarHBondContact O-N 2.88Å; E586-N590 VanDerWaalsContact O-CB 3.29Å; E586-N590 WeakPolarHBondContact O-CB 3.27Å; E586-N590 PolarHBondContact O-N 3.17Å
587M95.9Very high95.1Very high39 Ų3942 Ų4219%0.19222%0.22CC..Hα-helixtrans-61-36.4171.7-67.1-17789.500112.6L578 E579 I582 K583 T584 S585 C591L578-M587 HydrophobicContact CB-CE 4.1Å; L578-M587 HydrophobicContact CD1-CB 4.01Å; L578-M587 HydrophobicContact CD1-CE 4.45Å; L578-M587 HydrophobicContact CD1-CG 4.47Å; L578-M587 VanDerWaalsContact CD1-O 3.23Å; L578-M587 WeakPolarHBondContact CD1-O 3.23Å; E579-M587 WeakPolarHBondContact O-CE 3.46Å; I582-M587 HydrophobicContact CB-CB 4.45Å; I582-M587 HydrophobicContact CG1-CB 4.3Å; I582-M587 HydrophobicContact CG1-CE 4.39Å; I582-M587 HydrophobicContact CG2-CB 3.97Å; K583-M587 HydrophobicContact CB-SD 4.24Å; K583-M587 PolarHBondContact N-SD 2.89Å; K583-M587 VanDerWaalsContact N-SD 3.42Å; T584-M587 WeakPolarHBondContact OG1-CG 3.48Å; T584-M587 PolarHBondContact OG1-N 2.61Å; S585-M587 VanDerWaalsContact C-N 3.35Å; S585-M587 PolarHBondContact O-N 3.3Å; M587-C591 VanDerWaalsContact O-CB 3.27Å; M587-C591 WeakPolarHBondContact O-CB 3.34Å; M587-C591 PolarHBondContact O-N 3.06Å
588K95.8Very high95.2Very high0 Ų040.7 Ų40.70%021%0.212CC..Hα-helixtrans-67.9-48175.3171.6175.5168.9178.20110.9V552 Q553 L554 E558 L562 I582 T584 S585 E586 N590 C591 L592 E610V552-K588 HydrophobicContact CG1-CD 4.35Å; Q553-K588 PolarHBondContact O-NZ 3.12Å; L554-K588 HydrophobicContact CB-CD 4.21Å; L554-K588 HydrophobicContact CD1-CB 4.26Å; L554-K588 HydrophobicContact CD1-CD 3.97Å; E558-K588 IonicContact OE1-NZ 3.76Å; E558-K588 IonicContact OE2-NZ 3.68Å; E558-K588 PolarHBondContact OE2-NZ 3.48Å; L562-K588 HydrophobicContact CD1-CB 4.32Å; L562-K588 HydrophobicContact CD1-CD 3.93Å; L562-K588 HydrophobicContact CD1-CG 3.86Å; L562-K588 HydrophobicContact CD2-CG 4.26Å; I582-K588 HydrophobicContact CG2-CB 4.43Å; T584-K588 PolarHBondContact O-N 3.42Å; S585-K588 WeakPolarHBondContact O-CA 3.06Å; S585-K588 WeakPolarHBondContact O-CB 3.41Å; S585-K588 PolarHBondContact O-N 3.12Å; S585-K588 VanDerWaalsContact O-N 3.07Å; E586-K588 VanDerWaalsContact C-N 3.3Å; E586-K588 PolarHBondContact O-N 3.38Å; K588-N590 PolarHBondContact O-N 2.78Å; K588-C591 PolarHBondContact O-N 3.07Å; K588-L592 HydrophobicContact CG-CD1 3.94Å; K588-L592 HydrophobicContact CG-CG 4.43Å; K588-L592 VanDerWaalsContact O-CG 3.32Å; K588-L592 WeakPolarHBondContact O-CG 3.39Å; K588-L592 PolarHBondContact O-N 3Å; K588-E610 WeakPolarHBondContact CE-OE2 3.41Å; K588-E610 IonicContact NZ-OE1 3.29Å; K588-E610 IonicContact NZ-OE2 2.81Å; K588-E610 PolarHBondContact NZ-OE2 3.21Å
589V97.1Very high95.1Very high1 Ų140 Ų401%0.00621%0.21CC..Hα-helixtrans-59-47.7177.8172.70000110.6F549 V552 S585 E586 C591 L592 I593 I614F549-V589 HydrophobicContact CB-CG1 4.45Å; F549-V589 HydrophobicContact CB-CG2 4.06Å; F549-V589 HydrophobicContact CD1-CG1 4.42Å; F549-V589 HydrophobicContact CD2-CG1 3.99Å; F549-V589 HydrophobicContact CE2-CG1 4.33Å; F549-V589 HydrophobicContact CG-CG1 4.04Å; F549-V589 HydrophobicContact CG-CG2 4.44Å; V552-V589 HydrophobicContact CB-CG2 3.94Å; V552-V589 HydrophobicContact CG1-CG2 3.85Å; V552-V589 HydrophobicContact CG2-CG2 4.37Å; S585-V589 WeakPolarHBondContact O-CG2 3.36Å; S585-V589 PolarHBondContact O-N 2.81Å; E586-V589 PolarHBondContact O-N 2.88Å; V589-C591 PolarHBondContact O-N 2.72Å; V589-L592 PolarHBondContact O-N 3.28Å; V589-I593 HydrophobicContact CG1-CD1 3.71Å; V589-I593 HydrophobicContact CG1-CG1 4.43Å; V589-I593 VanDerWaalsContact O-CG1 3.29Å; V589-I593 WeakPolarHBondContact O-CG1 3.32Å; V589-I593 PolarHBondContact O-N 3.43Å; V589-I614 HydrophobicContact CG1-CD1 4.43Å; V589-I614 HydrophobicContact CG1-CG2 4.24Å; V589-I614 HydrophobicContact CG2-CD1 4.22Å
590N97.8Very high95.2Very high4 Ų433.3 Ų33.32%0.02118%0.179CC..Hα-helixtrans-57.6-49.9176.6-167.9-35.6000111.5D541 S544 L578 E586 K588 L592 I593 Q594D541-N590 WeakPolarHBondContact CA-ND2 3.45Å; D541-N590 PolarHBondContact OD1-ND2 3.07Å; S544-N590 WeakPolarHBondContact OG-CA 3.43Å; S544-N590 VanDerWaalsContact OG-CB 3.26Å; S544-N590 WeakPolarHBondContact OG-CB 3.24Å; S544-N590 PolarHBondContact OG-N 2.79Å; L578-N590 HydrophobicContact CD1-CB 4.28Å; L578-N590 HydrophobicContact CD2-CB 4.43Å; E586-N590 VanDerWaalsContact O-CB 3.29Å; E586-N590 WeakPolarHBondContact O-CB 3.27Å; E586-N590 PolarHBondContact O-N 3.17Å; K588-N590 PolarHBondContact O-N 2.78Å; N590-L592 PolarHBondContact O-N 3Å; N590-I593 PolarHBondContact O-N 3.1Å; N590-Q594 WeakPolarHBondContact O-CG 3.38Å; N590-Q594 PolarHBondContact O-N 3.3Å; N590-Q594 PolarHBondContact OD1-NE2 2.62Å
591C97.4Very high95Very high0 Ų034.7 Ų34.70%018%0.18CC..Hα-helixtrans-59.4-42.4177.2-175.90000113I574 L578 I582 M587 K588 V589 Q594 A595I574-C591 HydrophobicContact CD1-CB 4.47Å; L578-C591 HydrophobicContact CD1-CB 4.3Å; I582-C591 HydrophobicContact CD1-CB 3.57Å; M587-C591 VanDerWaalsContact O-CB 3.27Å; M587-C591 WeakPolarHBondContact O-CB 3.34Å; M587-C591 PolarHBondContact O-N 3.06Å; K588-C591 PolarHBondContact O-N 3.07Å; V589-C591 PolarHBondContact O-N 2.72Å; C591-Q594 PolarHBondContact O-N 2.84Å; C591-A595 VanDerWaalsContact O-CB 3.29Å; C591-A595 WeakPolarHBondContact O-CB 3.47Å; C591-A595 PolarHBondContact O-N 3.23Å
592L97.1Very high94.7Very high0 Ų028.4 Ų28.40%015%0.153CC..Hα-helixtrans-69.9-38178.5-68.3175.5000112.8L562 K588 V589 N590 Q596 I602 L607 I614L562-L592 HydrophobicContact CD2-CD2 3.92Å; L562-L592 HydrophobicContact CD2-CG 4.18Å; K588-L592 HydrophobicContact CG-CD1 3.94Å; K588-L592 HydrophobicContact CG-CG 4.43Å; K588-L592 VanDerWaalsContact O-CG 3.32Å; K588-L592 WeakPolarHBondContact O-CG 3.39Å; K588-L592 PolarHBondContact O-N 3Å; V589-L592 PolarHBondContact O-N 3.28Å; N590-L592 PolarHBondContact O-N 3Å; L592-Q596 PolarHBondContact O-N 3.11Å; L592-Q596 VanDerWaalsContact O-N 3.15Å; L592-I602 HydrophobicContact CD2-CD1 3.96Å; L592-L607 HydrophobicContact CD1-CD2 4.3Å; L592-L607 HydrophobicContact CD2-CB 4.13Å; L592-L607 HydrophobicContact CD2-CD2 4.34Å; L592-I614 HydrophobicContact CB-CD1 4.09Å; L592-I614 HydrophobicContact CD1-CD1 3.75Å
593I97.9Very high94.1Very high0 Ų036.6 Ų36.60%019%0.191CC..Hα-helixtrans-57-56.4171.1-69.3160.7000109.2V540 S544 V589 N590 A595 Q596 L597 I614 F615 F650V540-I593 HydrophobicContact CG1-CG2 4.16Å; S544-I593 WeakPolarHBondContact OG-CD1 3.45Å; V589-I593 HydrophobicContact CG1-CD1 3.71Å; V589-I593 HydrophobicContact CG1-CG1 4.43Å; V589-I593 VanDerWaalsContact O-CG1 3.29Å; V589-I593 WeakPolarHBondContact O-CG1 3.32Å; V589-I593 PolarHBondContact O-N 3.43Å; N590-I593 PolarHBondContact O-N 3.1Å; I593-A595 VanDerWaalsContact C-N 3.35Å; I593-A595 PolarHBondContact O-N 3.32Å; I593-Q596 PolarHBondContact O-N 2.94Å; I593-L597 HydrophobicContact CG2-CD1 3.92Å; I593-L597 HydrophobicContact CG2-CG 4.34Å; I593-L597 WeakPolarHBondContact O-CG 3.45Å; I593-L597 PolarHBondContact O-N 3.03Å; I593-I614 HydrophobicContact CD1-CG2 4.14Å; I593-I614 HydrophobicContact CG1-CG2 3.61Å; I593-F615 HydrophobicContact CG2-CZ 4.43Å; I593-F650 HydrophobicContact CD1-CE1 4.43Å; I593-F650 HydrophobicContact CD1-CZ 3.9Å; I593-F650 HydrophobicContact CG1-CE1 4.18Å; I593-F650 HydrophobicContact CG1-CZ 4.06Å; I593-F650 HydrophobicContact CG2-CE1 4.31Å; I593-F650 HydrophobicContact CG2-CZ 3.92Å
594Q97.7Very high93.6Very high3 Ų331 Ų311%0.01417%0.169CC..Hα-helixtrans-63.2-38.4-177-65.3-165.950.600113.1V540 I574 F576 N590 C591 Q596 L597 S598 W655V540-Q594 HydrophobicContact CG1-CG 4.25Å; I574-Q594 HydrophobicContact CB-CB 3.67Å; I574-Q594 HydrophobicContact CG2-CB 3.74Å; F576-Q594 PolarHBondContact O-NE2 2.85Å; F576-Q594 PolarHBondContact O-OE1 2.76Å; N590-Q594 WeakPolarHBondContact O-CG 3.38Å; N590-Q594 PolarHBondContact O-N 3.3Å; N590-Q594 PolarHBondContact OD1-NE2 2.62Å; C591-Q594 PolarHBondContact O-N 2.84Å; Q594-Q596 PolarHBondContact O-N 3.36Å; Q594-L597 PolarHBondContact O-N 2.69Å; Q594-S598 VanDerWaalsContact O-CB 3.29Å; Q594-S598 WeakPolarHBondContact O-CB 3.46Å; Q594-S598 PolarHBondContact O-N 2.95Å; Q594-S598 PolarHBondContact O-OG 2.8Å; Q594-W655 HydrophobicContact CB-CZ2 4Å; Q594-W655 HydrophobicContact CG-CH2 4.16Å; Q594-W655 HydrophobicContact CG-CZ2 3.84Å
595A96.2Very high92.7Very high0 Ų032.1 Ų32.10%017%0.169CC..Hα-helixtrans-61.3-43.5177.900000111.8L565 I574 C591 I593 S598 S599 I600 I602L565-A595 HydrophobicContact CD1-CB 4.36Å; L565-A595 HydrophobicContact CD2-CB 4.42Å; I574-A595 HydrophobicContact CG2-CB 4.21Å; C591-A595 VanDerWaalsContact O-CB 3.29Å; C591-A595 WeakPolarHBondContact O-CB 3.47Å; C591-A595 PolarHBondContact O-N 3.23Å; I593-A595 VanDerWaalsContact C-N 3.35Å; I593-A595 PolarHBondContact O-N 3.32Å; A595-S598 CarbonylContact O-C 3.56Å; A595-S598 PolarHBondContact O-N 2.91Å; A595-S599 PolarHBondContact O-N 2.65Å; A595-S599 VanDerWaalsContact O-N 3.12Å; A595-I600 PolarHBondContact O-N 2.87Å; A595-I602 HydrophobicContact CB-CD1 4.22Å
596Q95.8Very high92Very high45 Ų4531.6 Ų31.621%0.2117%0.168CC..Hα-helixtrans-66.9-44.5176.4-179.265.124.900112.4L592 I593 Q594 S598 S599 T611 F615 K653L592-Q596 PolarHBondContact O-N 3.11Å; L592-Q596 VanDerWaalsContact O-N 3.15Å; I593-Q596 PolarHBondContact O-N 2.94Å; Q594-Q596 PolarHBondContact O-N 3.36Å; Q596-S598 VanDerWaalsContact C-N 3.29Å; Q596-S598 PolarHBondContact O-N 2.78Å; Q596-S599 WeakPolarHBondContact O-CA 3.37Å; Q596-S599 PolarHBondContact O-N 2.91Å; Q596-T611 HydrophobicContact CB-CG2 3.74Å; Q596-T611 HydrophobicContact CG-CG2 3.98Å; Q596-F615 HydrophobicContact CB-CD2 4.32Å; Q596-F615 HydrophobicContact CB-CE2 3.43Å; Q596-F615 VanDerWaalsContact CB-CE2 3.43Å; Q596-F615 HydrophobicContact CB-CZ 3.62Å; Q596-F615 HydrophobicContact CG-CD2 4Å; Q596-F615 HydrophobicContact CG-CE1 4.09Å; Q596-F615 HydrophobicContact CG-CE2 3.46Å; Q596-F615 VanDerWaalsContact CG-CE2 3.46Å; Q596-F615 HydrophobicContact CG-CZ 3.51Å; Q596-K653 HydrophobicContact CG-CB 4.37Å
597L96.4Very high91.6Very high0 Ų027.8 Ų27.80%015%0.151CC..Hα-helixtrans-63.8-35.3177.4-64.1-176.8000112I593 Q594 S599 F615 C649 L654 W655I593-L597 HydrophobicContact CG2-CD1 3.92Å; I593-L597 HydrophobicContact CG2-CG 4.34Å; I593-L597 WeakPolarHBondContact O-CG 3.45Å; I593-L597 PolarHBondContact O-N 3.03Å; Q594-L597 PolarHBondContact O-N 2.69Å; L597-S599 PolarHBondContact O-N 3.06Å; L597-F615 HydrophobicContact CD2-CE1 3.72Å; L597-F615 HydrophobicContact CD2-CZ 3.8Å; L597-F615 HydrophobicContact CG-CE1 4.46Å; L597-F615 HydrophobicContact CG-CZ 4.04Å; L597-C649 HydrophobicContact CD1-CB 4.17Å; L597-C649 HydrophobicContact CD2-CB 4.01Å; L597-C649 WeakPolarHBondContact CD2-O 3.39Å; L597-L654 WeakPolarHBondContact O-CA 3.48Å; L597-W655 HydrophobicContact CB-CD2 3.67Å; L597-W655 HydrophobicContact CB-CE3 4.29Å; L597-W655 HydrophobicContact CB-CG 3.87Å; L597-W655 HydrophobicContact CB-CZ2 4.04Å; L597-W655 HydrophobicContact CD1-CD2 4Å; L597-W655 HydrophobicContact CD1-CE3 3.74Å; L597-W655 HydrophobicContact CD1-CH2 3.69Å; L597-W655 HydrophobicContact CD1-CZ2 3.96Å; L597-W655 HydrophobicContact CD1-CZ3 3.57Å; L597-W655 HydrophobicContact CG-CD2 4.48Å; L597-W655 PolarHBondContact O-N 2.84Å
598S94.8Very high91.2Very high28 Ų2828.9 Ų28.920%0.19616%0.16CC..THydrogen-bonded Turntrans-75.6-4.1170.9-66.60000113.9Q594 A595 Q596 I600 W655Q594-S598 VanDerWaalsContact O-CB 3.29Å; Q594-S598 WeakPolarHBondContact O-CB 3.46Å; Q594-S598 PolarHBondContact O-N 2.95Å; Q594-S598 PolarHBondContact O-OG 2.8Å; A595-S598 CarbonylContact O-C 3.56Å; A595-S598 PolarHBondContact O-N 2.91Å; Q596-S598 VanDerWaalsContact C-N 3.29Å; Q596-S598 PolarHBondContact O-N 2.78Å; S598-I600 PolarHBondContact O-N 3.3Å; S598-W655 PolarHBondContact OG-NE1 2.84Å
599S93.8Very high90.6Very high11 Ų1132.8 Ų32.88%0.07718%0.178CC..THydrogen-bonded Turntrans54.333.9-174.3-63.90000114.9A595 Q596 L597 L654 K663A595-S599 PolarHBondContact O-N 2.65Å; A595-S599 VanDerWaalsContact O-N 3.12Å; Q596-S599 WeakPolarHBondContact O-CA 3.37Å; Q596-S599 PolarHBondContact O-N 2.91Å; L597-S599 PolarHBondContact O-N 3.06Å; S599-L654 VanDerWaalsContact OG-CD2 3.26Å; S599-L654 WeakPolarHBondContact OG-CD2 3.45Å; S599-K663 PolarHBondContact OG-NZ 3.04Å
600I92.4Very high90.2Very high26 Ų2633.7 Ų33.713%0.13318%0.182CC..  trans-78.3130.6176-60167000109L565 A572 T573 A595 S598 I602L565-I600 HydrophobicContact CD2-CB 4.49Å; L565-I600 HydrophobicContact CD2-CG2 3.58Å; A572-I600 HydrophobicContact CB-CD1 4.48Å; A572-I600 HydrophobicContact CB-CG1 4.32Å; T573-I600 VanDerWaalsContact C-CD1 3.41Å; T573-I600 WeakPolarHBondContact O-CD1 3.48Å; A595-I600 PolarHBondContact O-N 2.87Å; S598-I600 PolarHBondContact O-N 3.3Å; I600-I602 PolarHBondContact O-N 3.04Å
601S86.9Confident90Very high85 Ų8533.8 Ų33.859%0.59418%0.183SC*.  trans-68125.9179.9-175.30000112
602I87Confident89.6Confident21 Ų2136.2 Ų36.211%0.10820%0.203CC..  trans-102.6104176.9-58.7174.9000108L565 L592 A595 I600 D604 L607 T608L565-I602 HydrophobicContact CD1-CG1 4.45Å; L592-I602 HydrophobicContact CD2-CD1 3.96Å; A595-I602 HydrophobicContact CB-CD1 4.22Å; I600-I602 PolarHBondContact O-N 3.04Å; I602-D604 VanDerWaalsContact C-N 3.31Å; I602-D604 PolarHBondContact O-N 3.39Å; I602-L607 HydrophobicContact CG2-CB 3.63Å; I602-L607 HydrophobicContact CG2-CD1 4.42Å; I602-T608 WeakPolarHBondContact CB-OG1 3.34Å; I602-T608 WeakPolarHBondContact CG2-OG1 3.37Å; I602-T608 PolarHBondContact O-OG1 3.08Å; I602-T608 VanDerWaalsContact O-OG1 3.05Å
603Q81.8Confident89.1Confident174 Ų17439.9 Ų39.981%0.81322%0.219SC*.  trans-74-17.6-177.5-65.7-179.4-48.800113.9
604D82.6Confident89Confident45 Ų4539.9 Ų39.924%0.24122%0.219CC..  trans-85117.9177.8-174.7-72.9000110.9I602 G606 L607 T608I602-D604 VanDerWaalsContact C-N 3.31Å; I602-D604 PolarHBondContact O-N 3.39Å; D604-G606 VanDerWaalsContact C-N 3.28Å; D604-G606 PolarHBondContact O-N 3.07Å; D604-G606 VanDerWaalsContact OD1-CA 3.29Å; D604-G606 WeakPolarHBondContact OD1-CA 3.32Å; D604-G606 PolarHBondContact OD1-N 3.25Å; D604-L607 HydrophobicContact CB-CB 4.13Å; D604-L607 HydrophobicContact CB-CD1 4.03Å; D604-L607 HydrophobicContact CB-CG 4.03Å; D604-L607 PolarHBondContact O-N 3.22Å; D604-L607 PolarHBondContact OD1-N 3.19Å; D604-T608 PolarHBondContact O-N 3.27Å; D604-T608 PolarHBondContact O-OG1 3.1Å
605F75.1Confident88.8Confident83 Ų8340.1 Ų40.136%0.36422%0.22SC..Hα-helixtrans-61.8-32.4-178.1-172.4-97.5000113.6Q609 W1029F605-Q609 HydrophobicContact CD1-CG 4.22Å; F605-Q609 HydrophobicContact CE1-CG 3.9Å; F605-Q609 VanDerWaalsContact CE1-NE2 3.35Å; F605-Q609 HydrophobicContact CZ-CG 4.19Å; F605-Q609 WeakPolarHBondContact O-CG 3.41Å; F605-Q609 PolarHBondContact O-N 3.49Å; F605-W1029 AromaticContact CE2-CH2 3.75Å; F605-W1029 HydrophobicContact CE2-CH2 3.75Å; F605-W1029 HydrophobicContact CE2-CZ2 4.35Å; F605-W1029 HydrophobicContact CZ-CH2 4.18Å
606G77.1Confident88.5Confident19 Ų1947.8 Ų47.820%0.19625%0.249CC..Hα-helixtrans-68.4-47.817700000111.5D604 T608 Q609 E610D604-G606 VanDerWaalsContact C-N 3.28Å; D604-G606 PolarHBondContact O-N 3.07Å; D604-G606 VanDerWaalsContact OD1-CA 3.29Å; D604-G606 WeakPolarHBondContact OD1-CA 3.32Å; D604-G606 PolarHBondContact OD1-N 3.25Å; G606-T608 VanDerWaalsContact C-N 3.31Å; G606-T608 PolarHBondContact O-N 3.37Å; G606-Q609 PolarHBondContact O-N 2.88Å; G606-E610 WeakPolarHBondContact O-CG 3.27Å; G606-E610 PolarHBondContact O-N 3Å
607L87.6Confident88.4Confident0 Ų046.8 Ų46.80%024%0.244CC..Hα-helixtrans-60.8-39.2173.7-65-176.8000111.8E558 T561 L562 L592 I602 D604 E610 T611E558-L607 HydrophobicContact CB-CD1 4.41Å; E558-L607 HydrophobicContact CB-CD2 4.18Å; E558-L607 HydrophobicContact CG-CD1 4.42Å; E558-L607 HydrophobicContact CG-CD2 3.86Å; E558-L607 HydrophobicContact CG-CG 4.13Å; T561-L607 HydrophobicContact CG2-CD1 4.12Å; L562-L607 HydrophobicContact CD1-CD2 4.39Å; L562-L607 HydrophobicContact CD2-CD1 4.02Å; L562-L607 HydrophobicContact CD2-CD2 4.26Å; L562-L607 HydrophobicContact CG-CD1 4.08Å; L562-L607 HydrophobicContact CG-CD2 4.48Å; L592-L607 HydrophobicContact CD1-CD2 4.3Å; L592-L607 HydrophobicContact CD2-CB 4.13Å; L592-L607 HydrophobicContact CD2-CD2 4.34Å; I602-L607 HydrophobicContact CG2-CB 3.63Å; I602-L607 HydrophobicContact CG2-CD1 4.42Å; D604-L607 HydrophobicContact CB-CB 4.13Å; D604-L607 HydrophobicContact CB-CD1 4.03Å; D604-L607 HydrophobicContact CB-CG 4.03Å; D604-L607 PolarHBondContact O-N 3.22Å; D604-L607 PolarHBondContact OD1-N 3.19Å; L607-E610 PolarHBondContact O-N 3.46Å; L607-T611 PolarHBondContact O-N 2.93Å; L607-T611 PolarHBondContact O-OG1 2.9Å; L607-T611 VanDerWaalsContact O-OG1 3.04Å
608T86.9Confident88.3Confident62 Ų6246.8 Ų46.838%0.3824%0.244SC..Hα-helixtrans-66.7-41177.2-660000112.6I602 D604 G606 E610 T611 A612I602-T608 WeakPolarHBondContact CB-OG1 3.34Å; I602-T608 WeakPolarHBondContact CG2-OG1 3.37Å; I602-T608 PolarHBondContact O-OG1 3.08Å; I602-T608 VanDerWaalsContact O-OG1 3.05Å; D604-T608 PolarHBondContact O-N 3.27Å; D604-T608 PolarHBondContact O-OG1 3.1Å; G606-T608 VanDerWaalsContact C-N 3.31Å; G606-T608 PolarHBondContact O-N 3.37Å; T608-E610 VanDerWaalsContact C-N 3.3Å; T608-E610 PolarHBondContact O-N 3.01Å; T608-T611 PolarHBondContact O-N 3.33Å; T608-A612 PolarHBondContact O-N 3.34Å; T608-A612 VanDerWaalsContact O-N 3.07Å
609Q83.3Confident88.2Confident82 Ų8248.5 Ų48.538%0.38325%0.25SS..Hα-helixtrans-64-35.1172.7-72.7-165.9-44.800112.3F605 G606 A612 K613F605-Q609 HydrophobicContact CD1-CG 4.22Å; F605-Q609 HydrophobicContact CE1-CG 3.9Å; F605-Q609 VanDerWaalsContact CE1-NE2 3.35Å; F605-Q609 HydrophobicContact CZ-CG 4.19Å; F605-Q609 WeakPolarHBondContact O-CG 3.41Å; F605-Q609 PolarHBondContact O-N 3.49Å; G606-Q609 PolarHBondContact O-N 2.88Å; Q609-A612 PolarHBondContact O-N 3.03Å; Q609-K613 PolarHBondContact O-N 3.02Å; Q609-K613 VanDerWaalsContact O-N 3.13Å
610E88.5Confident88.1Confident20 Ų2051.8 Ų51.89%0.09326%0.261CS..Hα-helixtrans-72.9-41.4176.1-76.2166.9-160.700112.9R555 K588 G606 L607 T608 A612 K613 I614R555-E610 IonicContact CZ-OE1 2.65Å; R555-E610 IonicContact NH1-OE1 3.27Å; R555-E610 PolarHBondContact NH1-OE1 3.48Å; R555-E610 IonicContact NH1-OE2 3.52Å; R555-E610 IonicContact NH2-OE1 3.89Å; R555-E610 PolarHBondContact NH2-OE1 2.92Å; K588-E610 WeakPolarHBondContact CE-OE2 3.41Å; K588-E610 IonicContact NZ-OE1 3.29Å; K588-E610 IonicContact NZ-OE2 2.81Å; K588-E610 PolarHBondContact NZ-OE2 3.21Å; G606-E610 WeakPolarHBondContact O-CG 3.27Å; G606-E610 PolarHBondContact O-N 3Å; L607-E610 PolarHBondContact O-N 3.46Å; T608-E610 VanDerWaalsContact C-N 3.3Å; T608-E610 PolarHBondContact O-N 3.01Å; E610-A612 PolarHBondContact O-N 3.13Å; E610-K613 CarbonylContact O-C 3.58Å; E610-K613 PolarHBondContact O-N 3.48Å; E610-K613 VanDerWaalsContact O-N 3.07Å; E610-I614 WeakPolarHBondContact O-CB 3.32Å; E610-I614 VanDerWaalsContact O-CG1 3.23Å; E610-I614 WeakPolarHBondContact O-CG1 3.42Å; E610-I614 PolarHBondContact O-N 3.2Å
611T93.1Very high88.3Confident5 Ų550.6 Ų50.63%0.03126%0.255CS..Hα-helixtrans-54.6-42.1169.9-63.30000110.9Q596 L607 T608 I614 F615Q596-T611 HydrophobicContact CB-CG2 3.74Å; Q596-T611 HydrophobicContact CG-CG2 3.98Å; L607-T611 PolarHBondContact O-N 2.93Å; L607-T611 PolarHBondContact O-OG1 2.9Å; L607-T611 VanDerWaalsContact O-OG1 3.04Å; T608-T611 PolarHBondContact O-N 3.33Å; T611-I614 PolarHBondContact O-N 2.99Å; T611-F615 HydrophobicContact CG2-CD2 4.02Å; T611-F615 HydrophobicContact CG2-CE2 4.15Å; T611-F615 WeakPolarHBondContact O-CD2 3.35Å; T611-F615 PolarHBondContact O-N 3.09Å
612A89.1Confident88.8Confident52 Ų5246.6 Ų46.643%0.4323%0.227SC..Hα-helixtrans-63.3-40.6175.100000113.2T608 Q609 E610 R616T608-A612 PolarHBondContact O-N 3.34Å; T608-A612 VanDerWaalsContact O-N 3.07Å; Q609-A612 PolarHBondContact O-N 3.03Å; E610-A612 PolarHBondContact O-N 3.13Å; A612-R616 VanDerWaalsContact O-CG 3.3Å; A612-R616 WeakPolarHBondContact O-CG 3.46Å; A612-R616 PolarHBondContact O-N 3.47Å
613K88.1Confident89.1Confident77 Ų7747.7 Ų47.734%0.33523%0.231SC..Hα-helixtrans-64.3-44.5171.6-178.4178.6175.9-179.80111.3D551 Q609 E610 F615 R616 I617D551-K613 IonicContact OD2-NZ 2.74Å; D551-K613 PolarHBondContact OD2-NZ 3.26Å; Q609-K613 PolarHBondContact O-N 3.02Å; Q609-K613 VanDerWaalsContact O-N 3.13Å; E610-K613 CarbonylContact O-C 3.58Å; E610-K613 PolarHBondContact O-N 3.48Å; E610-K613 VanDerWaalsContact O-N 3.07Å; K613-F615 PolarHBondContact O-N 3.14Å; K613-R616 PolarHBondContact O-N 3.14Å; K613-I617 HydrophobicContact CD-CD1 4.42Å; K613-I617 HydrophobicContact CG-CD1 3.86Å; K613-I617 WeakPolarHBondContact O-CG1 3.43Å; K613-I617 PolarHBondContact O-N 2.97Å; K613-I617 VanDerWaalsContact O-N 3.07Å
614I94.8Very high89.7Confident0 Ų039.5 Ų39.50%019%0.193CC..Hα-helixtrans-60.2-43.2-178.5-71.9163000110.8F549 V552 V589 L592 I593 E610 T611 G618F549-I614 HydrophobicContact CD1-CG1 4.26Å; F549-I614 HydrophobicContact CE1-CB 4.26Å; F549-I614 HydrophobicContact CE1-CG1 4.3Å; F549-I614 HydrophobicContact CE1-CG2 4.02Å; F549-I614 HydrophobicContact CZ-CG2 4.34Å; V552-I614 HydrophobicContact CG1-CD1 4.32Å; V552-I614 HydrophobicContact CG2-CG1 4.23Å; V589-I614 HydrophobicContact CG1-CD1 4.43Å; V589-I614 HydrophobicContact CG1-CG2 4.24Å; V589-I614 HydrophobicContact CG2-CD1 4.22Å; L592-I614 HydrophobicContact CB-CD1 4.09Å; L592-I614 HydrophobicContact CD1-CD1 3.75Å; I593-I614 HydrophobicContact CD1-CG2 4.14Å; I593-I614 HydrophobicContact CG1-CG2 3.61Å; E610-I614 WeakPolarHBondContact O-CB 3.32Å; E610-I614 VanDerWaalsContact O-CG1 3.23Å; E610-I614 WeakPolarHBondContact O-CG1 3.42Å; E610-I614 PolarHBondContact O-N 3.2Å; T611-I614 PolarHBondContact O-N 2.99Å; I614-G618 WeakPolarHBondContact O-CA 3.32Å; I614-G618 PolarHBondContact O-N 3.48Å
615F94.6Very high90.4Very high7 Ų737.4 Ų37.43%0.03118%0.182CC..Hα-helixtrans-72.5-39.7178.3-87.3-100.8000113.4I593 Q596 L597 T611 K613 I617 G618 M619 F650 K653I593-F615 HydrophobicContact CG2-CZ 4.43Å; Q596-F615 HydrophobicContact CB-CD2 4.32Å; Q596-F615 HydrophobicContact CB-CE2 3.43Å; Q596-F615 VanDerWaalsContact CB-CE2 3.43Å; Q596-F615 HydrophobicContact CB-CZ 3.62Å; Q596-F615 HydrophobicContact CG-CD2 4Å; Q596-F615 HydrophobicContact CG-CE1 4.09Å; Q596-F615 HydrophobicContact CG-CE2 3.46Å; Q596-F615 VanDerWaalsContact CG-CE2 3.46Å; Q596-F615 HydrophobicContact CG-CZ 3.51Å; L597-F615 HydrophobicContact CD2-CE1 3.72Å; L597-F615 HydrophobicContact CD2-CZ 3.8Å; L597-F615 HydrophobicContact CG-CE1 4.46Å; L597-F615 HydrophobicContact CG-CZ 4.04Å; T611-F615 HydrophobicContact CG2-CD2 4.02Å; T611-F615 HydrophobicContact CG2-CE2 4.15Å; T611-F615 WeakPolarHBondContact O-CD2 3.35Å; T611-F615 PolarHBondContact O-N 3.09Å; K613-F615 PolarHBondContact O-N 3.14Å; F615-I617 PolarHBondContact O-N 3.16Å; F615-G618 PolarHBondContact O-N 3.26Å; F615-M619 VanDerWaalsContact O-CG 3.29Å; F615-M619 WeakPolarHBondContact O-CG 3.37Å; F615-M619 PolarHBondContact O-N 2.8Å; F615-F650 AromaticContact CD1-CD1 3.69Å; F615-F650 HydrophobicContact CD1-CD1 3.69Å; F615-F650 HydrophobicContact CD1-CE1 4.3Å; F615-F650 AromaticContact CE1-CD1 3.75Å; F615-F650 HydrophobicContact CE1-CD1 3.75Å; F615-F650 HydrophobicContact CE1-CE1 4.21Å; F615-F650 HydrophobicContact CE1-CG 4.49Å; F615-F650 HydrophobicContact CG-CD1 4.29Å; F615-F650 HydrophobicContact CZ-CD1 4.37Å; F615-F650 HydrophobicContact CZ-CE1 4.38Å; F615-K653 HydrophobicContact CD1-CB 4.39Å; F615-K653 HydrophobicContact CD1-CG 3.88Å; F615-K653 HydrophobicContact CE1-CB 4.3Å; F615-K653 HydrophobicContact CE1-CG 4.27Å
616R89.9Confident91.3Very high162 Ų16233.6 Ų33.661%0.61117%0.165SC*.Hα-helixtrans-56.9-39.3174.1-74171.7177-128.92.5111.9D98 A612 K613D98-R616 IonicContact OD1-CZ 3.95Å; D98-R616 IonicContact OD1-NH1 3.64Å; D98-R616 PolarHBondContact OD1-NH1 2.65Å; D98-R616 IonicContact OD1-NH2 2.78Å; A612-R616 VanDerWaalsContact O-CG 3.3Å; A612-R616 WeakPolarHBondContact O-CG 3.46Å; A612-R616 PolarHBondContact O-N 3.47Å; K613-R616 PolarHBondContact O-N 3.14Å
617I92.1Very high92.1Very high23 Ų2333.7 Ų33.712%0.11816%0.161CC..Hα-helixtrans-80.1-41.3176.1-68.4174.5000111.5E548 F549 K613 F615 M619 R620 I621E548-I617 HydrophobicContact CB-CG2 3.52Å; E548-I617 HydrophobicContact CG-CG2 4.21Å; F549-I617 HydrophobicContact CD1-CG2 4.09Å; F549-I617 HydrophobicContact CE1-CB 3.77Å; F549-I617 HydrophobicContact CE1-CG2 3.44Å; F549-I617 VanDerWaalsContact CE1-CG2 3.44Å; F549-I617 HydrophobicContact CZ-CB 4.36Å; F549-I617 HydrophobicContact CZ-CG2 3.79Å; K613-I617 HydrophobicContact CD-CD1 4.42Å; K613-I617 HydrophobicContact CG-CD1 3.86Å; K613-I617 WeakPolarHBondContact O-CG1 3.43Å; K613-I617 PolarHBondContact O-N 2.97Å; K613-I617 VanDerWaalsContact O-N 3.07Å; F615-I617 PolarHBondContact O-N 3.16Å; I617-M619 PolarHBondContact O-N 2.89Å; I617-R620 WeakPolarHBondContact O-CG 3.3Å; I617-R620 PolarHBondContact O-N 2.81Å; I617-I621 HydrophobicContact CG2-CD1 3.6Å; I617-I621 HydrophobicContact CG2-CG1 4.38Å; I617-I621 WeakPolarHBondContact O-CG1 3.19Å; I617-I621 PolarHBondContact O-N 3.35Å
618G95.1Very high92.4Very high0 Ų034 Ų340%016%0.162CC..Hα-helixtrans-61.4-41.8-177.500000112.6I614 F615 R620 I621 S622I614-G618 WeakPolarHBondContact O-CA 3.32Å; I614-G618 PolarHBondContact O-N 3.48Å; F615-G618 PolarHBondContact O-N 3.26Å; G618-R620 VanDerWaalsContact C-N 3.29Å; G618-R620 PolarHBondContact O-N 2.98Å; G618-I621 PolarHBondContact O-N 2.89Å; G618-I621 VanDerWaalsContact O-N 3.09Å; G618-S622 WeakPolarHBondContact O-CB 3.23Å; G618-S622 PolarHBondContact O-N 2.96Å; G618-S622 PolarHBondContact O-OG 3.09Å
619M93.1Very high92.7Very high64 Ų6431.1 Ų31.132%0.31514%0.144SC..Hα-helixtrans-51.6-43177-77.4168.456.100113.3F615 I617 S622 K623 F650F615-M619 VanDerWaalsContact O-CG 3.29Å; F615-M619 WeakPolarHBondContact O-CG 3.37Å; F615-M619 PolarHBondContact O-N 2.8Å; I617-M619 PolarHBondContact O-N 2.89Å; M619-S622 PolarHBondContact O-OG 2.96Å; M619-K623 VanDerWaalsContact O-CB 3.24Å; M619-K623 WeakPolarHBondContact O-CB 3.41Å; M619-K623 PolarHBondContact O-N 3.39Å; M619-F650 HydrophobicContact CG-CB 4.22Å
620R92.3Very high93Very high81 Ų8128.4 Ų28.431%0.30613%0.133SC..Hα-helixtrans-75.7-37178.257.3171.2-167.8143.8-0.9112.7Y517 C518 I617 G618 C624Y517-R620 PolarHBondContact O-NH1 3.11Å; C518-R620 PolarHBondContact O-NH1 3.1Å; I617-R620 WeakPolarHBondContact O-CG 3.3Å; I617-R620 PolarHBondContact O-N 2.81Å; G618-R620 VanDerWaalsContact C-N 3.29Å; G618-R620 PolarHBondContact O-N 2.98Å; R620-C624 VanDerWaalsContact O-CB 3.31Å; R620-C624 WeakPolarHBondContact O-CB 3.4Å; R620-C624 PolarHBondContact O-N 2.97Å
621I96.4Very high92.8Very high0 Ų032.9 Ų32.90%015%0.154CC..Hα-helixtrans-68.1-50.5178.6-64.1174.2000110.4T523 F527 V543 E548 F549 I617 G618 K623 C624 L625T523-I621 HydrophobicContact CG2-CG2 4.2Å; F527-I621 HydrophobicContact CE1-CG2 4.19Å; F527-I621 HydrophobicContact CZ-CG2 3.95Å; V543-I621 HydrophobicContact CG1-CG2 4.21Å; V543-I621 HydrophobicContact CG2-CG2 4.25Å; E548-I621 HydrophobicContact CB-CD1 3.9Å; E548-I621 HydrophobicContact CG-CD1 3.96Å; F549-I621 HydrophobicContact CE2-CD1 3.9Å; F549-I621 HydrophobicContact CZ-CD1 3.99Å; I617-I621 HydrophobicContact CG2-CD1 3.6Å; I617-I621 HydrophobicContact CG2-CG1 4.38Å; I617-I621 WeakPolarHBondContact O-CG1 3.19Å; I617-I621 PolarHBondContact O-N 3.35Å; G618-I621 PolarHBondContact O-N 2.89Å; G618-I621 VanDerWaalsContact O-N 3.09Å; I621-K623 VanDerWaalsContact C-N 3.29Å; I621-K623 PolarHBondContact O-N 3.02Å; I621-C624 PolarHBondContact O-N 2.87Å; I621-L625 WeakPolarHBondContact O-CB 3.24Å; I621-L625 PolarHBondContact O-N 2.77Å
622S96.3Very high91.9Very high1 Ų136.5 Ų36.51%0.00717%0.171CC..Hα-helixtrans-63.6-35.4178.562.60000112G618 M619 S626 F650G618-S622 WeakPolarHBondContact O-CB 3.23Å; G618-S622 PolarHBondContact O-N 2.96Å; G618-S622 PolarHBondContact O-OG 3.09Å; M619-S622 PolarHBondContact O-OG 2.96Å; S622-S626 WeakPolarHBondContact O-CB 3.42Å; S622-S626 PolarHBondContact O-N 3.41Å; S622-S626 PolarHBondContact O-OG 3.12Å; S622-F650 VanDerWaalsContact CB-CD2 3.45Å; S622-F650 WeakPolarHBondContact OG-CB 3.45Å; S622-F650 WeakPolarHBondContact OG-CD2 3.45Å
623K93.8Very high90.6Very high45 Ų4540.1 Ų40.120%0.19619%0.192CC..Hα-helixtrans-65.7-48.9173.4-165.870.9173.7-166.60111.1Y517 M619 I621 L625 S626 E627 Y759Y517-K623 HydrophobicContact CD1-CB 4.48Å; Y517-K623 HydrophobicContact CE1-CB 4.02Å; Y517-K623 HydrophobicContact CE1-CG 3.64Å; Y517-K623 WeakPolarHBondContact OH-CG 3.32Å; M619-K623 VanDerWaalsContact O-CB 3.24Å; M619-K623 WeakPolarHBondContact O-CB 3.41Å; M619-K623 PolarHBondContact O-N 3.39Å; I621-K623 VanDerWaalsContact C-N 3.29Å; I621-K623 PolarHBondContact O-N 3.02Å; K623-L625 PolarHBondContact O-N 3.22Å; K623-S626 PolarHBondContact O-N 2.71Å; K623-S626 PolarHBondContact O-OG 2.9Å; K623-E627 WeakPolarHBondContact O-CG 3.36Å; K623-E627 PolarHBondContact O-N 2.91Å; K623-Y759 PolarHBondContact NZ-OH 3.24Å
624C95.4Very high89.5Confident2 Ų245.7 Ų45.71%0.01422%0.217CC..Hα-helixtrans-58.2-46176.8-166.90000112Y517 V519 F527 R620 I621 E627 F628Y517-C624 HydrophobicContact CD2-CB 3.59Å; Y517-C624 HydrophobicContact CE2-CB 4.39Å; Y517-C624 HydrophobicContact CG-CB 3.81Å; V519-C624 HydrophobicContact CG2-CB 3.89Å; F527-C624 HydrophobicContact CE2-CB 4.09Å; R620-C624 VanDerWaalsContact O-CB 3.31Å; R620-C624 WeakPolarHBondContact O-CB 3.4Å; R620-C624 PolarHBondContact O-N 2.97Å; I621-C624 PolarHBondContact O-N 2.87Å; C624-E627 PolarHBondContact O-N 3.35Å; C624-F628 WeakPolarHBondContact O-CB 3.43Å; C624-F628 PolarHBondContact O-N 3.01Å
625L96.3Very high88.7Confident1 Ų146.4 Ų46.41%0.00522%0.221CC..Hα-helixtrans-57.6-47.7174.4176.464.8000111.4F527 L542 V543 I621 K623 E627 F628 L629F527-L625 HydrophobicContact CB-CD1 4.23Å; F527-L625 HydrophobicContact CD1-CB 4.47Å; F527-L625 HydrophobicContact CD1-CD1 3.65Å; F527-L625 HydrophobicContact CD2-CD1 4.36Å; F527-L625 HydrophobicContact CE1-CB 4.07Å; F527-L625 HydrophobicContact CE1-CD1 4.05Å; F527-L625 HydrophobicContact CE2-CB 4.15Å; F527-L625 HydrophobicContact CG-CD1 3.83Å; F527-L625 HydrophobicContact CZ-CB 3.89Å; L542-L625 HydrophobicContact CD2-CD1 4.4Å; L542-L625 HydrophobicContact CD2-CD2 4.32Å; V543-L625 HydrophobicContact CG2-CD2 3.83Å; I621-L625 WeakPolarHBondContact O-CB 3.24Å; I621-L625 PolarHBondContact O-N 2.77Å; K623-L625 PolarHBondContact O-N 3.22Å; L625-E627 PolarHBondContact O-N 3.09Å; L625-F628 PolarHBondContact O-N 2.85Å; L625-L629 HydrophobicContact CD1-CD1 3.62Å; L625-L629 HydrophobicContact CD1-CG 4Å; L625-L629 HydrophobicContact CG-CD1 4Å; L625-L629 WeakPolarHBondContact O-CB 3.21Å; L625-L629 WeakPolarHBondContact O-CG 3.41Å; L625-L629 PolarHBondContact O-N 3.34Å
626S94.9Very high88.4Confident2 Ų246.5 Ų46.51%0.01422%0.224CC..Hα-helixtrans-63-42.7178.672.40000112.4S622 K623 T630 S643S622-S626 WeakPolarHBondContact O-CB 3.42Å; S622-S626 PolarHBondContact O-N 3.41Å; S622-S626 PolarHBondContact O-OG 3.12Å; K623-S626 PolarHBondContact O-N 2.71Å; K623-S626 PolarHBondContact O-OG 2.9Å; S626-T630 WeakPolarHBondContact O-CB 3.14Å; S626-T630 WeakPolarHBondContact O-CG2 3.48Å; S626-T630 PolarHBondContact O-N 3.12Å; S626-T630 VanDerWaalsContact O-N 3.11Å; S626-T630 PolarHBondContact O-OG1 3.25Å; S626-S643 WeakPolarHBondContact CA-OG 3.3Å; S626-S643 WeakPolarHBondContact CB-O 3.38Å
627E93.8Very high88.6Confident22 Ų2239.8 Ų39.810%0.10320%0.199CC..Hα-helixtrans-69.8-40.1178.5-62.2-145.8127.100111.4L513 R516 Y517 K623 C624 L625 T630 Q631 K776L513-E627 HydrophobicContact CD1-CB 4.12Å; L513-E627 HydrophobicContact CD2-CB 3.56Å; L513-E627 HydrophobicContact CD2-CG 4.44Å; R516-E627 IonicContact NH1-OE2 2.77Å; R516-E627 PolarHBondContact NH1-OE2 3.46Å; Y517-E627 VanDerWaalsContact OH-CD 3.31Å; Y517-E627 PolarHBondContact OH-OE2 2.85Å; K623-E627 WeakPolarHBondContact O-CG 3.36Å; K623-E627 PolarHBondContact O-N 2.91Å; C624-E627 PolarHBondContact O-N 3.35Å; L625-E627 PolarHBondContact O-N 3.09Å; E627-T630 WeakPolarHBondContact CA-OG1 3.3Å; E627-T630 PolarHBondContact O-N 3.38Å; E627-T630 PolarHBondContact O-OG1 3.28Å; E627-Q631 VanDerWaalsContact O-CG 3.3Å; E627-Q631 WeakPolarHBondContact O-CG 3.43Å; E627-Q631 PolarHBondContact O-N 2.93Å; E627-K776 IonicContact OE1-NZ 2.84Å; E627-K776 PolarHBondContact OE1-NZ 3.33Å
628F93.9Very high88.6Confident6 Ų640.3 Ų40.33%0.02621%0.205CC..Hα-helixtrans-58.3-51.9176.7179.4-83.9000111.7A510 L513 V524 F527 T528 C624 L625 T630 Q631 Q632A510-F628 HydrophobicContact CB-CD2 4.05Å; A510-F628 HydrophobicContact CB-CE2 3.8Å; L513-F628 HydrophobicContact CD1-CB 4.06Å; V524-F628 HydrophobicContact CG1-CD2 4.33Å; V524-F628 HydrophobicContact CG1-CE2 3.84Å; F527-F628 HydrophobicContact CB-CD1 3.78Å; F527-F628 HydrophobicContact CB-CE1 3.6Å; F527-F628 HydrophobicContact CB-CE2 4.35Å; F527-F628 HydrophobicContact CB-CG 4.25Å; F527-F628 HydrophobicContact CB-CZ 3.9Å; F527-F628 HydrophobicContact CD2-CB 4.36Å; F527-F628 HydrophobicContact CD2-CD1 4.48Å; F527-F628 HydrophobicContact CD2-CD2 4.36Å; F527-F628 HydrophobicContact CD2-CG 4.18Å; T528-F628 HydrophobicContact CG2-CZ 3.86Å; C624-F628 WeakPolarHBondContact O-CB 3.43Å; C624-F628 PolarHBondContact O-N 3.01Å; L625-F628 PolarHBondContact O-N 2.85Å; F628-T630 VanDerWaalsContact C-N 3.26Å; F628-T630 PolarHBondContact O-N 3.07Å; F628-Q631 PolarHBondContact O-N 2.99Å; F628-Q632 VanDerWaalsContact CE1-NE2 3.31Å; F628-Q632 VanDerWaalsContact CZ-NE2 3.33Å; F628-Q632 PolarHBondContact O-N 2.65Å
629L93.1Very high88.6Confident2 Ų240.3 Ų40.31%0.0121%0.205CC..Hα-helixtrans-68.4-21.7178.9-68.6179.3000113.4V530 L625 T635V530-L629 HydrophobicContact CB-CD2 3.83Å; V530-L629 HydrophobicContact CG1-CD1 4.06Å; V530-L629 HydrophobicContact CG1-CD2 3.64Å; V530-L629 HydrophobicContact CG2-CD2 4.27Å; L625-L629 HydrophobicContact CD1-CD1 3.62Å; L625-L629 HydrophobicContact CD1-CG 4Å; L625-L629 HydrophobicContact CG-CD1 4Å; L625-L629 WeakPolarHBondContact O-CB 3.21Å; L625-L629 WeakPolarHBondContact O-CG 3.41Å; L625-L629 PolarHBondContact O-N 3.34Å; L629-T635 HydrophobicContact CB-CG2 4.1Å; L629-T635 HydrophobicContact CD2-CG2 3.96Å; L629-T635 WeakPolarHBondContact O-CB 3.28Å; L629-T635 PolarHBondContact O-OG1 3.49Å
630T89.1Confident88.7Confident24 Ų2437.4 Ų37.415%0.14719%0.191CC..Hα-helixtrans-84.4-13173.758.10000115.1S626 E627 F628 L644 L774S626-T630 WeakPolarHBondContact O-CB 3.14Å; S626-T630 WeakPolarHBondContact O-CG2 3.48Å; S626-T630 PolarHBondContact O-N 3.12Å; S626-T630 VanDerWaalsContact O-N 3.11Å; S626-T630 PolarHBondContact O-OG1 3.25Å; E627-T630 WeakPolarHBondContact CA-OG1 3.3Å; E627-T630 PolarHBondContact O-N 3.38Å; E627-T630 PolarHBondContact O-OG1 3.28Å; F628-T630 VanDerWaalsContact C-N 3.26Å; F628-T630 PolarHBondContact O-N 3.07Å; T630-L644 HydrophobicContact CG2-CD1 4.37Å; T630-L644 HydrophobicContact CG2-CD2 4.2Å; T630-L644 HydrophobicContact CG2-CG 4.28Å; T630-L774 VanDerWaalsContact CB-CD2 3.42Å; T630-L774 HydrophobicContact CG2-CD2 3.47Å; T630-L774 VanDerWaalsContact CG2-CD2 3.47Å
631Q84.1Confident88.9Confident115 Ų11534.6 Ų34.654%0.53718%0.182SC..Hα-helixtrans-96.2-24179.3-68-71.910.400113E627 F628 S633E627-Q631 VanDerWaalsContact O-CG 3.3Å; E627-Q631 WeakPolarHBondContact O-CG 3.43Å; E627-Q631 PolarHBondContact O-N 2.93Å; F628-Q631 PolarHBondContact O-N 2.99Å; Q631-S633 PolarHBondContact O-N 2.9Å
632Q73.5Confident88.9Confident81 Ų8135.2 Ų35.238%0.37919%0.186SC..  trans-75.7115.4178.9-75.8-171.6-7.400111.3F628 K634 T635F628-Q632 VanDerWaalsContact CE1-NE2 3.31Å; F628-Q632 VanDerWaalsContact CZ-NE2 3.33Å; F628-Q632 PolarHBondContact O-N 2.65Å; Q632-K634 PolarHBondContact O-N 2.88Å; Q632-T635 VanDerWaalsContact CB-OG1 3.25Å; Q632-T635 WeakPolarHBondContact CB-OG1 3.35Å; Q632-T635 PolarHBondContact O-N 3.5Å; Q632-T635 VanDerWaalsContact O-N 3.08Å; Q632-T635 PolarHBondContact OE1-OG1 3.05Å
633S62.7Low88.9Confident127 Ų12735.2 Ų35.289%0.88819%0.186SC*.THydrogen-bonded Turntrans-62.5-7.4179.156.50000115.3Q631Q631-S633 PolarHBondContact O-N 2.9Å
634K65.3Low89Confident195 Ų19533.6 Ų33.685%0.84818%0.18SC*.THydrogen-bonded Turntrans-106.4-6.1178.4-63.3-179.9-178.5174.30113.7Q632 G636Q632-K634 PolarHBondContact O-N 2.88Å; K634-G636 PolarHBondContact O-N 2.94Å
635T77.4Confident89.1Confident14 Ų1434.2 Ų34.29%0.08618%0.183CC..  trans-74.3126.2-176.9-58.80000111.1L629 Q632 A639L629-T635 HydrophobicContact CB-CG2 4.1Å; L629-T635 HydrophobicContact CD2-CG2 3.96Å; L629-T635 WeakPolarHBondContact O-CB 3.28Å; L629-T635 PolarHBondContact O-OG1 3.49Å; Q632-T635 VanDerWaalsContact CB-OG1 3.25Å; Q632-T635 WeakPolarHBondContact CB-OG1 3.35Å; Q632-T635 PolarHBondContact O-N 3.5Å; Q632-T635 VanDerWaalsContact O-N 3.08Å; Q632-T635 PolarHBondContact OE1-OG1 3.05Å; T635-A639 HydrophobicContact CG2-CB 4.09Å
636G88.9Confident89.2Confident9 Ų934.2 Ų34.29%0.09318%0.183CC..  trans-64.7147.6176.400000113.5G532 K634 C638 A639 A640 N769G532-G636 CarbonylContact O-C 3.6Å; G532-G636 VanDerWaalsContact O-CA 3.3Å; G532-G636 WeakPolarHBondContact O-CA 3.3Å; K634-G636 PolarHBondContact O-N 2.94Å; G636-C638 VanDerWaalsContact C-N 3.27Å; G636-C638 PolarHBondContact O-N 2.77Å; G636-A639 PolarHBondContact O-N 2.91Å; G636-A640 PolarHBondContact O-N 2.93Å; G636-A640 VanDerWaalsContact O-N 3.09Å; G636-N769 CarbonylContact C-O 3.51Å; G636-N769 VanDerWaalsContact CA-O 3.3Å; G636-N769 WeakPolarHBondContact CA-O 3.3Å
637F92.3Very high89.3Confident21 Ų2134.7 Ų34.79%0.09219%0.186CC..Hα-helixtrans-54.1-37.5-176.8164.9-104.9000113.7A640 L641 I763 G765 N769 V771F637-A640 PolarHBondContact O-N 3.12Å; F637-L641 HydrophobicContact CE1-CD2 4.17Å; F637-L641 HydrophobicContact CE2-CB 4.45Å; F637-L641 HydrophobicContact CE2-CD2 4.31Å; F637-L641 HydrophobicContact CZ-CD2 3.78Å; F637-L641 VanDerWaalsContact O-CB 3.22Å; F637-L641 WeakPolarHBondContact O-CB 3.42Å; F637-L641 PolarHBondContact O-N 3.16Å; F637-I763 HydrophobicContact CD2-CD1 3.86Å; F637-I763 HydrophobicContact CD2-CG1 3.95Å; F637-I763 HydrophobicContact CE2-CD1 4.18Å; F637-I763 HydrophobicContact CE2-CG1 4Å; F637-I763 HydrophobicContact CE2-CG2 4.27Å; F637-G765 VanDerWaalsContact CD2-CA 3.42Å; F637-G765 VanDerWaalsContact CE2-N 3.31Å; F637-N769 PolarHBondContact N-O 2.8Å; F637-N769 PolarHBondContact N-OD1 2.9Å; F637-V771 HydrophobicContact CB-CG2 3.86Å; F637-V771 HydrophobicContact CD2-CG2 4.42Å
638C93.3Very high89.4Confident35 Ų3533.7 Ų33.724%0.23618%0.182CC..Hα-helixtrans-59.8-50.7178.4-172.50000111.8S533 E534 G636 S642 N769S533-C638 PolarHBondContact O-SG 3.04Å; S533-C638 VanDerWaalsContact O-SG 3.36Å; E534-C638 CarbonylContact O-C 3.56Å; G636-C638 VanDerWaalsContact C-N 3.27Å; G636-C638 PolarHBondContact O-N 2.77Å; C638-S642 WeakPolarHBondContact O-CB 3.5Å; C638-S642 PolarHBondContact O-N 3.44Å; C638-S642 PolarHBondContact O-OG 2.86Å; C638-N769 VanDerWaalsContact CB-OD1 3.29Å; C638-N769 WeakPolarHBondContact CB-OD1 3.39Å; C638-N769 PolarHBondContact N-OD1 2.71Å
639A95.2Very high89.6Confident0 Ų033.4 Ų33.40%018%0.181CC..Hα-helixtrans-68.2-40.7177.600000111.7V530 G532 E534 T635 G636 S642 S643V530-A639 HydrophobicContact CG1-CB 3.9Å; G532-A639 PolarHBondContact O-N 2.84Å; E534-A639 HydrophobicContact CB-CB 4.33Å; E534-A639 WeakPolarHBondContact O-CA 3.33Å; E534-A639 PolarHBondContact O-N 3.48Å; T635-A639 HydrophobicContact CG2-CB 4.09Å; G636-A639 PolarHBondContact O-N 2.91Å; A639-S642 PolarHBondContact O-N 2.93Å; A639-S643 VanDerWaalsContact O-CB 3.24Å; A639-S643 WeakPolarHBondContact O-CB 3.25Å; A639-S643 PolarHBondContact O-N 3.17Å; A639-S643 PolarHBondContact O-OG 3.43Å
640A94.9Very high89.7Confident3 Ų333.3 Ų33.33%0.02518%0.18CC..Hα-helixtrans-60.1-51.4176.500000111.7G636 F637 S643 L644 I763 V771G636-A640 PolarHBondContact O-N 2.93Å; G636-A640 VanDerWaalsContact O-N 3.09Å; F637-A640 PolarHBondContact O-N 3.12Å; A640-S643 PolarHBondContact O-N 2.91Å; A640-S643 PolarHBondContact O-OG 3.05Å; A640-L644 WeakPolarHBondContact O-CG 3.31Å; A640-L644 PolarHBondContact O-N 3.46Å; A640-L644 VanDerWaalsContact O-N 3.13Å; A640-I763 HydrophobicContact CB-CD1 3.82Å; A640-V771 HydrophobicContact CB-CG2 4.45Å
641L95.6Very high89.9Confident21 Ų2136.1 Ų36.111%0.1119%0.188CC..Hα-helixtrans-62.3-47.5176.5177.559.6000111.8F637 S643 L644 I645 I763 N806 I808F637-L641 HydrophobicContact CE1-CD2 4.17Å; F637-L641 HydrophobicContact CE2-CB 4.45Å; F637-L641 HydrophobicContact CE2-CD2 4.31Å; F637-L641 HydrophobicContact CZ-CD2 3.78Å; F637-L641 VanDerWaalsContact O-CB 3.22Å; F637-L641 WeakPolarHBondContact O-CB 3.42Å; F637-L641 PolarHBondContact O-N 3.16Å; L641-S643 VanDerWaalsContact C-N 3.27Å; L641-S643 PolarHBondContact O-N 3.21Å; L641-L644 PolarHBondContact O-N 2.84Å; L641-I645 HydrophobicContact CD1-CD1 3.84Å; L641-I645 HydrophobicContact CD1-CG1 4.24Å; L641-I645 HydrophobicContact CG-CD1 3.88Å; L641-I645 WeakPolarHBondContact O-CB 3.45Å; L641-I645 WeakPolarHBondContact O-CG1 3.46Å; L641-I645 PolarHBondContact O-N 3.42Å; L641-I763 HydrophobicContact CD1-CG2 3.85Å; L641-N806 HydrophobicContact CD1-CB 3.81Å; L641-I808 HydrophobicContact CD1-CD1 4.03Å; L641-I808 HydrophobicContact CD1-CG1 3.84Å
642S96.7Very high90.4Very high14 Ų1431.5 Ų31.510%0.09817%0.17CC..Hα-helixtrans-60.6-36.1178.7-63.10000112L536 C638 A639 L646L536-S642 PolarHBondContact N-OG 3.29Å; C638-S642 WeakPolarHBondContact O-CB 3.5Å; C638-S642 PolarHBondContact O-N 3.44Å; C638-S642 PolarHBondContact O-OG 2.86Å; A639-S642 PolarHBondContact O-N 2.93Å; S642-L646 VanDerWaalsContact O-CB 3.28Å; S642-L646 WeakPolarHBondContact O-CB 3.25Å; S642-L646 PolarHBondContact O-N 2.89Å
643S96.8Very high91.5Very high1 Ų132.4 Ų32.41%0.00717%0.172CC..Hα-helixtrans-72-39.7178.375.70000113.1S626 A639 A640 L641 L646 A647S626-S643 WeakPolarHBondContact CA-OG 3.3Å; S626-S643 WeakPolarHBondContact CB-O 3.38Å; A639-S643 VanDerWaalsContact O-CB 3.24Å; A639-S643 WeakPolarHBondContact O-CB 3.25Å; A639-S643 PolarHBondContact O-N 3.17Å; A639-S643 PolarHBondContact O-OG 3.43Å; A640-S643 PolarHBondContact O-N 2.91Å; A640-S643 PolarHBondContact O-OG 3.05Å; L641-S643 VanDerWaalsContact C-N 3.27Å; L641-S643 PolarHBondContact O-N 3.21Å; S643-L646 PolarHBondContact O-N 3.29Å; S643-A647 WeakPolarHBondContact O-CB 3.41Å; S643-A647 PolarHBondContact O-N 3.35Å
644L96.4Very high93.1Very high11 Ų1126.4 Ų26.46%0.05813%0.13CC..Hα-helixtrans-62.6-43.6172.6-71.4169.2000110.9T630 A640 L641 K648 I763 L774 I808T630-L644 HydrophobicContact CG2-CD1 4.37Å; T630-L644 HydrophobicContact CG2-CD2 4.2Å; T630-L644 HydrophobicContact CG2-CG 4.28Å; A640-L644 WeakPolarHBondContact O-CG 3.31Å; A640-L644 PolarHBondContact O-N 3.46Å; A640-L644 VanDerWaalsContact O-N 3.13Å; L641-L644 PolarHBondContact O-N 2.84Å; L644-K648 PolarHBondContact O-N 3.09Å; L644-I763 HydrophobicContact CD1-CD1 4.37Å; L644-I763 HydrophobicContact CD1-CG2 4.43Å; L644-L774 HydrophobicContact CD1-CD1 4.09Å; L644-I808 HydrophobicContact CB-CG2 4.3Å
645I97.5Very high94.6Very high15 Ų1517.5 Ų17.58%0.0779%0.091CC..Hα-helixtrans-61.7-48.4174.7-71.7172000110.7L536 L641 A647 K648 C649 E656 I808L536-I645 HydrophobicContact CD1-CG2 4.17Å; L536-I645 HydrophobicContact CD2-CG2 4.18Å; L641-I645 HydrophobicContact CD1-CD1 3.84Å; L641-I645 HydrophobicContact CD1-CG1 4.24Å; L641-I645 HydrophobicContact CG-CD1 3.88Å; L641-I645 WeakPolarHBondContact O-CB 3.45Å; L641-I645 WeakPolarHBondContact O-CG1 3.46Å; L641-I645 PolarHBondContact O-N 3.42Å; I645-A647 PolarHBondContact O-N 3.31Å; I645-K648 PolarHBondContact O-N 2.9Å; I645-C649 PolarHBondContact O-N 3.47Å; I645-C649 PolarHBondContact O-SG 2.8Å; I645-E656 HydrophobicContact CG2-CB 3.66Å; I645-E656 HydrophobicContact CG2-CG 3.86Å; I645-I808 HydrophobicContact CD1-CD1 4.42Å; I645-I808 HydrophobicContact CG1-CD1 4.08Å; I645-I808 HydrophobicContact CG1-CG1 4.47Å; I645-I808 HydrophobicContact CG1-CG2 4.41Å
646L97.6Very high95.4Very high1 Ų118.6 Ų18.61%0.00510%0.095CC..Hα-helixtrans-62.7-40.4-179.5-176.655.7000112.3L536 L539 V540 V543 S642 S643 K648 C649 F650L536-L646 HydrophobicContact CD1-CB 3.79Å; L536-L646 HydrophobicContact CD1-CD1 4.05Å; L536-L646 HydrophobicContact CD1-CG 4.4Å; L539-L646 HydrophobicContact CB-CD2 3.62Å; V540-L646 HydrophobicContact CG2-CD1 3.58Å; V540-L646 HydrophobicContact CG2-CD2 4.28Å; V543-L646 HydrophobicContact CG2-CD2 4.12Å; S642-L646 VanDerWaalsContact O-CB 3.28Å; S642-L646 WeakPolarHBondContact O-CB 3.25Å; S642-L646 PolarHBondContact O-N 2.89Å; S643-L646 PolarHBondContact O-N 3.29Å; L646-K648 VanDerWaalsContact C-N 3.34Å; L646-K648 PolarHBondContact O-N 2.96Å; L646-C649 WeakPolarHBondContact O-CB 3.42Å; L646-C649 PolarHBondContact O-N 3.22Å; L646-C649 VanDerWaalsContact O-N 3.16Å; L646-F650 HydrophobicContact CD1-CD2 3.82Å; L646-F650 HydrophobicContact CD1-CE2 3.7Å; L646-F650 HydrophobicContact CD2-CE2 4.48Å; L646-F650 HydrophobicContact CG-CD2 4.01Å; L646-F650 HydrophobicContact CG-CE2 4.01Å; L646-F650 WeakPolarHBondContact O-CD2 3.32Å; L646-F650 PolarHBondContact O-N 2.96Å
647A96.8Very high95.7Very high11 Ų1123.1 Ų23.19%0.09112%0.118CC..Hα-helixtrans-60.3-43175.900000112.1S643 I645 R651S643-A647 WeakPolarHBondContact O-CB 3.41Å; S643-A647 PolarHBondContact O-N 3.35Å; I645-A647 PolarHBondContact O-N 3.31Å; A647-R651 PolarHBondContact O-N 3.49Å
648K96.3Very high95.8Very high1 Ų122.6 Ų22.60%0.00412%0.116CC..Hα-helixtrans-63.4-43.8171.7-174.3-171.467.3-124.30111.7L644 I645 L646 F650 R651 A652 S809 V813 D816L644-K648 PolarHBondContact O-N 3.09Å; I645-K648 PolarHBondContact O-N 2.9Å; L646-K648 VanDerWaalsContact C-N 3.34Å; L646-K648 PolarHBondContact O-N 2.96Å; K648-F650 VanDerWaalsContact C-N 3.31Å; K648-F650 PolarHBondContact O-N 3.02Å; K648-R651 PolarHBondContact O-N 3.05Å; K648-A652 WeakPolarHBondContact O-CB 3.45Å; K648-A652 PolarHBondContact O-N 3.05Å; K648-S809 VanDerWaalsContact CD-O 3.31Å; K648-S809 WeakPolarHBondContact CD-O 3.25Å; K648-V813 HydrophobicContact CD-CG2 4.37Å; K648-D816 VanDerWaalsContact CE-OD2 3.25Å; K648-D816 WeakPolarHBondContact CE-OD2 3.49Å; K648-D816 IonicContact NZ-OD1 2.64Å; K648-D816 PolarHBondContact NZ-OD1 3.11Å; K648-D816 IonicContact NZ-OD2 2.75Å; K648-D816 PolarHBondContact NZ-OD2 3.07Å
649C97.4Very high95.9Very high0 Ų023.2 Ų23.20%012%0.12CC..Hα-helixtrans-58.8-41179.9-66.20000112.1L597 I645 L646 K653 L654L597-C649 HydrophobicContact CD1-CB 4.17Å; L597-C649 HydrophobicContact CD2-CB 4.01Å; L597-C649 WeakPolarHBondContact CD2-O 3.39Å; I645-C649 PolarHBondContact O-N 3.47Å; I645-C649 PolarHBondContact O-SG 2.8Å; L646-C649 WeakPolarHBondContact O-CB 3.42Å; L646-C649 PolarHBondContact O-N 3.22Å; L646-C649 VanDerWaalsContact O-N 3.16Å; C649-K653 VanDerWaalsContact O-CA 3.29Å; C649-K653 WeakPolarHBondContact O-CA 3.33Å; C649-K653 PolarHBondContact O-N 3.13Å; C649-L654 VanDerWaalsContact CA-O 3.23Å; C649-L654 WeakPolarHBondContact CA-O 3.27Å; C649-L654 VanDerWaalsContact CB-O 3.29Å; C649-L654 WeakPolarHBondContact CB-O 3.4Å; C649-L654 PolarHBondContact O-N 2.94Å; C649-L654 PolarHBondContact SG-O 2.89Å
650F96.6Very high95.9Very high0 Ų025 Ų250%013%0.128CC..Hα-helixtrans-64.9-37.8173.4-90.6-75.5000113.4V543 I593 F615 M619 S622 L646 K648V543-F650 HydrophobicContact CG1-CE2 4.01Å; V543-F650 HydrophobicContact CG1-CZ 3.83Å; I593-F650 HydrophobicContact CD1-CE1 4.43Å; I593-F650 HydrophobicContact CD1-CZ 3.9Å; I593-F650 HydrophobicContact CG1-CE1 4.18Å; I593-F650 HydrophobicContact CG1-CZ 4.06Å; I593-F650 HydrophobicContact CG2-CE1 4.31Å; I593-F650 HydrophobicContact CG2-CZ 3.92Å; F615-F650 AromaticContact CD1-CD1 3.69Å; F615-F650 HydrophobicContact CD1-CD1 3.69Å; F615-F650 HydrophobicContact CD1-CE1 4.3Å; F615-F650 AromaticContact CE1-CD1 3.75Å; F615-F650 HydrophobicContact CE1-CD1 3.75Å; F615-F650 HydrophobicContact CE1-CE1 4.21Å; F615-F650 HydrophobicContact CE1-CG 4.49Å; F615-F650 HydrophobicContact CG-CD1 4.29Å; F615-F650 HydrophobicContact CZ-CD1 4.37Å; F615-F650 HydrophobicContact CZ-CE1 4.38Å; M619-F650 HydrophobicContact CG-CB 4.22Å; S622-F650 VanDerWaalsContact CB-CD2 3.45Å; S622-F650 WeakPolarHBondContact OG-CB 3.45Å; S622-F650 WeakPolarHBondContact OG-CD2 3.45Å; L646-F650 HydrophobicContact CD1-CD2 3.82Å; L646-F650 HydrophobicContact CD1-CE2 3.7Å; L646-F650 HydrophobicContact CD2-CE2 4.48Å; L646-F650 HydrophobicContact CG-CD2 4.01Å; L646-F650 HydrophobicContact CG-CE2 4.01Å; L646-F650 WeakPolarHBondContact O-CD2 3.32Å; L646-F650 PolarHBondContact O-N 2.96Å; K648-F650 VanDerWaalsContact C-N 3.31Å; K648-F650 PolarHBondContact O-N 3.02Å
651R93.2Very high95.9Very high84 Ų8425 Ų2532%0.31713%0.128SC..Hα-helixtrans-70.3-49.7177.9-17956.6168.5154.82.6112.2A647 K648 K653 E811A647-R651 PolarHBondContact O-N 3.49Å; K648-R651 PolarHBondContact O-N 3.05Å; R651-K653 VanDerWaalsContact C-N 3.29Å; R651-K653 PolarHBondContact O-N 3Å; R651-E811 IonicContact CZ-OE2 2.91Å; R651-E811 IonicContact NE-OE1 2.7Å; R651-E811 PolarHBondContact NE-OE1 3.24Å; R651-E811 IonicContact NE-OE2 2.77Å; R651-E811 PolarHBondContact NE-OE2 3.32Å; R651-E811 IonicContact NH2-OE2 3.74Å; R651-E811 PolarHBondContact NH2-OE2 2.76Å
652A94.3Very high95.9Very high18 Ų1824 Ų2415%0.14912%0.122CC..Hα-helixtrans-71.7-19.7177.900000113.9K648 L654 V813K648-A652 WeakPolarHBondContact O-CB 3.45Å; K648-A652 PolarHBondContact O-N 3.05Å; A652-L654 HydrophobicContact CB-CB 4.3Å; A652-L654 PolarHBondContact O-N 3.49Å; A652-V813 HydrophobicContact CB-CB 4.41Å; A652-V813 HydrophobicContact CB-CG2 3.71Å
653K95.9Very high95.7Very high100 Ų10025.5 Ų25.544%0.43513%0.127SC..THydrogen-bonded Turntrans56.737.9-171.7-50.3170.6-171162.20112.4Q596 F615 C649 R651Q596-K653 HydrophobicContact CG-CB 4.37Å; F615-K653 HydrophobicContact CD1-CB 4.39Å; F615-K653 HydrophobicContact CD1-CG 3.88Å; F615-K653 HydrophobicContact CE1-CB 4.3Å; F615-K653 HydrophobicContact CE1-CG 4.27Å; C649-K653 VanDerWaalsContact O-CA 3.29Å; C649-K653 WeakPolarHBondContact O-CA 3.33Å; C649-K653 PolarHBondContact O-N 3.13Å; R651-K653 VanDerWaalsContact C-N 3.29Å; R651-K653 PolarHBondContact O-N 3Å
654L96.8Very high95.6Very high0 Ų027 Ų270%013%0.134CC..SBendtrans-146.8149.4-175.8-70.3-179.3000110.5L597 S599 C649 A652 F660 K663 Q664 V813L597-L654 WeakPolarHBondContact O-CA 3.48Å; S599-L654 VanDerWaalsContact OG-CD2 3.26Å; S599-L654 WeakPolarHBondContact OG-CD2 3.45Å; C649-L654 VanDerWaalsContact CA-O 3.23Å; C649-L654 WeakPolarHBondContact CA-O 3.27Å; C649-L654 VanDerWaalsContact CB-O 3.29Å; C649-L654 WeakPolarHBondContact CB-O 3.4Å; C649-L654 PolarHBondContact O-N 2.94Å; C649-L654 PolarHBondContact SG-O 2.89Å; A652-L654 HydrophobicContact CB-CB 4.3Å; A652-L654 PolarHBondContact O-N 3.49Å; L654-F660 WeakPolarHBondContact CD1-O 3.39Å; L654-F660 HydrophobicContact CD2-CB 3.99Å; L654-K663 HydrophobicContact CD2-CD 3.82Å; L654-Q664 HydrophobicContact CD1-CG 3.76Å; L654-V813 HydrophobicContact CB-CB 4.49Å; L654-V813 HydrophobicContact CB-CG2 4.09Å
655W97.1Very high95.3Very high8 Ų827 Ų273%0.0313%0.134CC..  trans-64.1154.4163.8-69.4117.6000112.1L536 V540 R575 F576 Q594 L597 S598 N657 S658 V813L536-W655 HydrophobicContact CD2-CE3 3.96Å; L536-W655 HydrophobicContact CD2-CZ3 3.81Å; L536-W655 HydrophobicContact CG-CZ3 4.03Å; V540-W655 HydrophobicContact CG2-CH2 4.18Å; V540-W655 HydrophobicContact CG2-CZ3 4.35Å; R575-W655 HydrophobicContact CB-CZ2 3.99Å; R575-W655 VanDerWaalsContact NH1-CE3 3.35Å; F576-W655 AromaticContact CD2-CH2 3.86Å; F576-W655 HydrophobicContact CD2-CH2 3.86Å; F576-W655 HydrophobicContact CD2-CZ2 4.14Å; F576-W655 AromaticContact CE2-CH2 3.54Å; F576-W655 HydrophobicContact CE2-CH2 3.54Å; F576-W655 HydrophobicContact CE2-CZ2 4.03Å; F576-W655 AromaticContact CE2-CZ3 3.9Å; F576-W655 HydrophobicContact CE2-CZ3 3.9Å; Q594-W655 HydrophobicContact CB-CZ2 4Å; Q594-W655 HydrophobicContact CG-CH2 4.16Å; Q594-W655 HydrophobicContact CG-CZ2 3.84Å; L597-W655 HydrophobicContact CB-CD2 3.67Å; L597-W655 HydrophobicContact CB-CE3 4.29Å; L597-W655 HydrophobicContact CB-CG 3.87Å; L597-W655 HydrophobicContact CB-CZ2 4.04Å; L597-W655 HydrophobicContact CD1-CD2 4Å; L597-W655 HydrophobicContact CD1-CE3 3.74Å; L597-W655 HydrophobicContact CD1-CH2 3.69Å; L597-W655 HydrophobicContact CD1-CZ2 3.96Å; L597-W655 HydrophobicContact CD1-CZ3 3.57Å; L597-W655 HydrophobicContact CG-CD2 4.48Å; L597-W655 PolarHBondContact O-N 2.84Å; S598-W655 PolarHBondContact OG-NE1 2.84Å; W655-N657 PolarHBondContact O-N 3.2Å; W655-S658 WeakPolarHBondContact O-CB 3.42Å; W655-S658 PolarHBondContact O-N 2.68Å; W655-V813 VanDerWaalsContact O-CG1 3.23Å; W655-V813 WeakPolarHBondContact O-CG1 3.28Å
656E95.1Very high94.7Very high37 Ų3732.8 Ų32.817%0.17316%0.16CC..THydrogen-bonded Turntrans-61.9-24.7-17978.5-66.2167.900114.5L536 R575 I645L536-E656 WeakPolarHBondContact CD2-OE2 3.49Å; R575-E656 IonicContact CZ-OE1 3.91Å; R575-E656 VanDerWaalsContact CZ-OE1 3.23Å; R575-E656 IonicContact CZ-OE2 3.78Å; R575-E656 IonicContact NH1-OE1 2.71Å; R575-E656 PolarHBondContact NH1-OE1 2.71Å; R575-E656 IonicContact NH1-OE2 2.83Å; R575-E656 PolarHBondContact NH1-OE2 3.43Å; R575-E656 IonicContact NH2-OE1 3.73Å; R575-E656 PolarHBondContact NH2-OE1 2.88Å; I645-E656 HydrophobicContact CG2-CB 3.66Å; I645-E656 HydrophobicContact CG2-CG 3.86Å
657N93.6Very high94.2Very high105 Ų10539.6 Ų39.656%0.56119%0.19SC*.THydrogen-bonded Turntrans-108.517.8176.967.4-14.2000112.9W655W655-N657 PolarHBondContact O-N 3.2Å
658S95.3Very high93.9Very high10 Ų1039.4 Ų39.47%0.0719%0.188CC..  trans-69.5133.2-175.2-175.20000112.5W655 F660 V661W655-S658 WeakPolarHBondContact O-CB 3.42Å; W655-S658 PolarHBondContact O-N 2.68Å; S658-F660 PolarHBondContact O-N 2.8Å; S658-F660 PolarHBondContact OG-N 3.17Å; S658-V661 WeakPolarHBondContact O-CG1 3.37Å
659P94.6Very high93.6Very high48 Ų4839.9 Ų39.931%0.31219%0.192SC..SBendtrans-72.2-15.9174.831-35.7000113V661 V677 T682P659-V661 PolarHBondContact O-N 3.28Å; P659-V677 HydrophobicContact CB-CG1 4.24Å; P659-V677 HydrophobicContact CB-CG2 4.17Å; P659-V677 HydrophobicContact CG-CG1 4.3Å; P659-V677 WeakPolarHBondContact O-CG2 3.32Å; P659-T682 HydrophobicContact CB-CG2 3.85Å
660F95.7Very high93.2Very high36 Ų3642.4 Ų42.416%0.15821%0.205CC..  trans-77.933.9-175.9-64.2-88.2000113.3L654 S658 S662 K663 L670 V677L654-F660 WeakPolarHBondContact CD1-O 3.39Å; L654-F660 HydrophobicContact CD2-CB 3.99Å; S658-F660 PolarHBondContact O-N 2.8Å; S658-F660 PolarHBondContact OG-N 3.17Å; F660-S662 PolarHBondContact O-N 3.15Å; F660-K663 HydrophobicContact CB-CB 4.48Å; F660-K663 WeakPolarHBondContact O-CB 3.27Å; F660-K663 PolarHBondContact O-N 3.12Å; F660-L670 HydrophobicContact CE1-CD1 4.47Å; F660-V677 HydrophobicContact CD1-CG2 3.78Å; F660-V677 HydrophobicContact CE1-CB 4.38Å; F660-V677 HydrophobicContact CE1-CG2 4.08Å; F660-V677 HydrophobicContact CG-CG2 4.1Å
661V95.2Very high93Very high4 Ų447.8 Ų47.82%0.02424%0.238CC..G310 helixtrans-57.6-28.2-174.6-58.40000113.3S658 P659 K663 Q664 F684 I687 V813S658-V661 WeakPolarHBondContact O-CG1 3.37Å; P659-V661 PolarHBondContact O-N 3.28Å; V661-K663 VanDerWaalsContact C-N 3.26Å; V661-K663 PolarHBondContact O-N 3Å; V661-Q664 WeakPolarHBondContact O-CB 3.48Å; V661-Q664 PolarHBondContact O-N 3.16Å; V661-Q664 PolarHBondContact O-NE2 3.32Å; V661-F684 HydrophobicContact CB-CE1 4.22Å; V661-F684 HydrophobicContact CB-CE2 4.23Å; V661-F684 HydrophobicContact CB-CZ 4.05Å; V661-F684 HydrophobicContact CG2-CD1 4.19Å; V661-F684 HydrophobicContact CG2-CE1 4.24Å; V661-F684 HydrophobicContact CG2-CG 4.4Å; V661-I687 HydrophobicContact CG2-CD1 4.18Å; V661-V813 HydrophobicContact CG1-CG1 4.4Å
662S94.6Very high93Very high0 Ų045.1 Ų45.10%023%0.23CC..G310 helixtrans-64.2-26177.453.10000113.6F660 Q664 M665 I668 S673 M676F660-S662 PolarHBondContact O-N 3.15Å; S662-Q664 PolarHBondContact O-N 2.68Å; S662-M665 WeakPolarHBondContact O-CB 3.31Å; S662-M665 PolarHBondContact O-N 3.12Å; S662-I668 WeakPolarHBondContact O-CB 3.38Å; S662-S673 WeakPolarHBondContact OG-CB 3.4Å; S662-S673 PolarHBondContact OG-OG 2.88Å; S662-M676 WeakPolarHBondContact CB-SD 3.41Å
663K94Very high93Very high46 Ų4644.2 Ų44.220%0.222%0.223CC..G310 helixtrans-61.4-11.4175.6-162.3-166-179.6-171.90113.7S599 L654 F660 V661 S673S599-K663 PolarHBondContact OG-NZ 3.04Å; L654-K663 HydrophobicContact CD2-CD 3.82Å; F660-K663 HydrophobicContact CB-CB 4.48Å; F660-K663 WeakPolarHBondContact O-CB 3.27Å; F660-K663 PolarHBondContact O-N 3.12Å; V661-K663 VanDerWaalsContact C-N 3.26Å; V661-K663 PolarHBondContact O-N 3Å; K663-S673 PolarHBondContact N-OG 2.93Å
664Q93.3Very high92.9Very high33 Ų3341.7 Ų41.715%0.15422%0.216CC..G310 helixtrans-89.6-7.3176.4-57.3170.3110.100112.7L654 V661 S662 Y812 V813L654-Q664 HydrophobicContact CD1-CG 3.76Å; V661-Q664 WeakPolarHBondContact O-CB 3.48Å; V661-Q664 PolarHBondContact O-N 3.16Å; V661-Q664 PolarHBondContact O-NE2 3.32Å; S662-Q664 PolarHBondContact O-N 2.68Å; Q664-Y812 HydrophobicContact CB-CD1 4.34Å; Q664-V813 PolarHBondContact NE2-O 3.29Å
665M90.9Very high92.8Very high11 Ų1143.2 Ų43.25%0.05423%0.229CC..SBendtrans-88.7148.3177.5-55.5-68.484.800110.6S662 K667 I668 F684 V713 L716 Y812S662-M665 WeakPolarHBondContact O-CB 3.31Å; S662-M665 PolarHBondContact O-N 3.12Å; M665-K667 PolarHBondContact O-N 3.4Å; M665-I668 HydrophobicContact CB-CD1 3.8Å; M665-I668 HydrophobicContact CB-CG1 4.04Å; M665-I668 HydrophobicContact CG-CD1 4.31Å; M665-I668 PolarHBondContact O-N 2.93Å; M665-F684 HydrophobicContact CE-CE1 3.82Å; M665-F684 HydrophobicContact CE-CZ 4.06Å; M665-F684 HydrophobicContact CG-CE1 4.38Å; M665-F684 HydrophobicContact SD-CE1 4.02Å; M665-V713 HydrophobicContact CG-CG2 4.43Å; M665-V713 HydrophobicContact SD-CG2 3.8Å; M665-L716 HydrophobicContact CE-CD1 3.95Å; M665-L716 HydrophobicContact CE-CD2 4.3Å; M665-L716 HydrophobicContact SD-CD1 4.22Å; M665-Y812 HydrophobicContact CE-CE1 4.12Å
666E85.1Confident92.7Very high135 Ų13542.8 Ų42.863%0.63123%0.227SC*.THydrogen-bonded Turntrans-54.5137.8177.7-151.8-156.3125.900111I668E666-I668 PolarHBondContact O-N 3.16Å; E666-I668 VanDerWaalsContact O-N 3.12Å
667K86.8Confident92.7Very high145 Ų14542.4 Ų42.463%0.6323%0.227SC*.THydrogen-bonded Turntrans62.89178.7-54173.4174.8108.30115.9M665 F705M665-K667 PolarHBondContact O-N 3.4Å; K667-F705 HydrophobicContact CB-CE2 4.31Å
668I90.9Very high92.8Very high7 Ų743.8 Ų43.84%0.03623%0.234CC..  trans-99.689.7173-51.8-167.8000111.4S662 M665 E666 L672 M676 I709S662-I668 WeakPolarHBondContact O-CB 3.38Å; M665-I668 HydrophobicContact CB-CD1 3.8Å; M665-I668 HydrophobicContact CB-CG1 4.04Å; M665-I668 HydrophobicContact CG-CD1 4.31Å; M665-I668 PolarHBondContact O-N 2.93Å; E666-I668 PolarHBondContact O-N 3.16Å; E666-I668 VanDerWaalsContact O-N 3.12Å; I668-L672 HydrophobicContact CG2-CB 3.88Å; I668-M676 HydrophobicContact CD1-SD 4.03Å; I668-M676 HydrophobicContact CG2-SD 4.39Å; I668-I709 HydrophobicContact CD1-CD1 3.72Å; I668-I709 HydrophobicContact CD1-CG1 3.93Å; I668-I709 HydrophobicContact CD1-CG2 4.06Å; I668-I709 HydrophobicContact CG1-CD1 4.29Å; I668-I709 HydrophobicContact CG1-CG1 4.49Å
669G88.8Confident92.8Very high10 Ų1045.7 Ų45.710%0.10325%0.251CS..  trans-69.6174.6172.100000114.8T671 L672 S673 E1028G669-T671 VanDerWaalsContact C-N 3.31Å; G669-T671 PolarHBondContact O-N 3.03Å; G669-L672 PolarHBondContact O-N 3.42Å; G669-S673 PolarHBondContact O-N 2.98Å; G669-E1028 WeakPolarHBondContact CA-OE1 3.49Å
670L89.8Confident92.8Very high53 Ų5344.9 Ų44.928%0.27725%0.251SS..Hα-helixtrans-55.7-42.2-177.417958.8000113F660 S673 T674F660-L670 HydrophobicContact CE1-CD1 4.47Å; L670-S673 PolarHBondContact O-N 2.87Å; L670-T674 WeakPolarHBondContact O-CB 3.35Å; L670-T674 PolarHBondContact O-N 3.05Å; L670-T674 PolarHBondContact O-OG1 3.14Å
671T91.4Very high92.8Very high113 Ų11343.8 Ų43.869%0.69325%0.247SC*.Hα-helixtrans-62.3-46.5179.3-47.40000111.7G669 T674 A675G669-T671 VanDerWaalsContact C-N 3.31Å; G669-T671 PolarHBondContact O-N 3.03Å; T671-T674 WeakPolarHBondContact O-CB 3.45Å; T671-T674 PolarHBondContact O-N 2.92Å; T671-A675 PolarHBondContact O-N 3.45Å
672L93.6Very high92.8Very high28 Ų2846 Ų4615%0.14726%0.26CS..Hα-helixtrans-66.9-42.7178.4-62.3-176.6000111.3I668 G669 T674 A675 M676 L699 F705I668-L672 HydrophobicContact CG2-CB 3.88Å; G669-L672 PolarHBondContact O-N 3.42Å; L672-T674 VanDerWaalsContact C-N 3.29Å; L672-T674 PolarHBondContact O-N 3.37Å; L672-A675 PolarHBondContact O-N 2.95Å; L672-M676 WeakPolarHBondContact O-CG 3.29Å; L672-M676 PolarHBondContact O-N 2.99Å; L672-M676 VanDerWaalsContact O-N 3.1Å; L672-L699 HydrophobicContact CB-CD2 3.87Å; L672-L699 HydrophobicContact CD2-CD2 4.14Å; L672-L699 WeakPolarHBondContact O-CD2 3.39Å; L672-F705 HydrophobicContact CD1-CZ 4.39Å
673S93.9Very high92.9Very high0 Ų047.9 Ų47.90%027%0.274CS..Hα-helixtrans-63.1-35.6175.1-169.30000112S662 K663 G669 L670 M676 V677S662-S673 WeakPolarHBondContact OG-CB 3.4Å; S662-S673 PolarHBondContact OG-OG 2.88Å; K663-S673 PolarHBondContact N-OG 2.93Å; G669-S673 PolarHBondContact O-N 2.98Å; L670-S673 PolarHBondContact O-N 2.87Å; S673-M676 PolarHBondContact O-N 2.92Å; S673-V677 WeakPolarHBondContact O-CG2 3.49Å; S673-V677 PolarHBondContact O-N 2.86Å
674T94.3Very high93Very high47 Ų4746.3 Ų46.329%0.28827%0.267SS..Hα-helixtrans-65.1-41.9174.7-55.70000111.9L670 T671 L672 M676 V677 N678L670-T674 WeakPolarHBondContact O-CB 3.35Å; L670-T674 PolarHBondContact O-N 3.05Å; L670-T674 PolarHBondContact O-OG1 3.14Å; T671-T674 WeakPolarHBondContact O-CB 3.45Å; T671-T674 PolarHBondContact O-N 2.92Å; L672-T674 VanDerWaalsContact C-N 3.29Å; L672-T674 PolarHBondContact O-N 3.37Å; T674-M676 VanDerWaalsContact C-N 3.33Å; T674-M676 PolarHBondContact O-N 2.91Å; T674-V677 PolarHBondContact O-N 3.32Å; T674-N678 WeakPolarHBondContact O-CB 3.47Å; T674-N678 VanDerWaalsContact O-CG 3.22Å; T674-N678 PolarHBondContact O-N 2.96Å; T674-N678 PolarHBondContact O-ND2 3.42Å
675A95.1Very high93Very high31 Ų3147.8 Ų47.826%0.25628%0.281SS..Hα-helixtrans-60.1-42.5173.800000111.9T671 L672 N678 A679 I698 L699T671-A675 PolarHBondContact O-N 3.45Å; L672-A675 PolarHBondContact O-N 2.95Å; A675-N678 PolarHBondContact O-N 3.45Å; A675-A679 WeakPolarHBondContact O-CB 3.36Å; A675-A679 PolarHBondContact O-N 3.24Å; A675-I698 HydrophobicContact CB-CG2 4.44Å; A675-L699 HydrophobicContact CB-CD2 4.47Å
676M95.3Very high93.2Very high0 Ų051.2 Ų51.20%030%0.295CS..Hα-helixtrans-64.1-43.3175.3-66.1179.877.400112.8S662 I668 L672 S673 T674 N678 A679 G680 L681 I687 L695 L699S662-M676 WeakPolarHBondContact CB-SD 3.41Å; I668-M676 HydrophobicContact CD1-SD 4.03Å; I668-M676 HydrophobicContact CG2-SD 4.39Å; L672-M676 WeakPolarHBondContact O-CG 3.29Å; L672-M676 PolarHBondContact O-N 2.99Å; L672-M676 VanDerWaalsContact O-N 3.1Å; S673-M676 PolarHBondContact O-N 2.92Å; T674-M676 VanDerWaalsContact C-N 3.33Å; T674-M676 PolarHBondContact O-N 2.91Å; M676-N678 VanDerWaalsContact C-N 3.35Å; M676-A679 CarbonylContact O-C 3.48Å; M676-A679 PolarHBondContact O-N 3.46Å; M676-G680 PolarHBondContact O-N 2.85Å; M676-L681 HydrophobicContact CB-CB 4.16Å; M676-L681 HydrophobicContact CB-CD1 4.42Å; M676-L681 HydrophobicContact CE-CD1 4.09Å; M676-L681 HydrophobicContact CG-CD1 4.45Å; M676-L681 WeakPolarHBondContact O-CB 3.31Å; M676-L681 PolarHBondContact O-N 2.87Å; M676-I687 HydrophobicContact CE-CB 4.49Å; M676-I687 HydrophobicContact CE-CD1 3.73Å; M676-I687 HydrophobicContact CE-CG1 3.71Å; M676-I687 HydrophobicContact CE-CG2 3.95Å; M676-L695 HydrophobicContact CE-CD2 4.18Å; M676-L699 HydrophobicContact CG-CD2 3.64Å; M676-L699 HydrophobicContact CG-CG 4.34Å; M676-L699 HydrophobicContact SD-CD1 4.24Å; M676-L699 HydrophobicContact SD-CD2 4.09Å
677V95.4Very high93.7Very high28 Ų2844.8 Ų44.817%0.1727%0.265CS..Hα-helixtrans-63.7-40.5176.3169.30000111.2P659 F660 S673 T674 A679 G680P659-V677 HydrophobicContact CB-CG1 4.24Å; P659-V677 HydrophobicContact CB-CG2 4.17Å; P659-V677 HydrophobicContact CG-CG1 4.3Å; P659-V677 WeakPolarHBondContact O-CG2 3.32Å; F660-V677 HydrophobicContact CD1-CG2 3.78Å; F660-V677 HydrophobicContact CE1-CB 4.38Å; F660-V677 HydrophobicContact CE1-CG2 4.08Å; F660-V677 HydrophobicContact CG-CG2 4.1Å; S673-V677 WeakPolarHBondContact O-CG2 3.49Å; S673-V677 PolarHBondContact O-N 2.86Å; T674-V677 PolarHBondContact O-N 3.32Å; V677-A679 VanDerWaalsContact C-N 3.31Å; V677-A679 PolarHBondContact O-N 2.84Å; V677-G680 WeakPolarHBondContact O-CA 3.33Å; V677-G680 PolarHBondContact O-N 2.95Å
678N94.9Very high94.1Very high134 Ų13440 Ų4072%0.71725%0.245SC*.Hα-helixtrans-65.7-32.5174.9-70.5-16.6000112.6T674 A675 M676 G680T674-N678 WeakPolarHBondContact O-CB 3.47Å; T674-N678 VanDerWaalsContact O-CG 3.22Å; T674-N678 PolarHBondContact O-N 2.96Å; T674-N678 PolarHBondContact O-ND2 3.42Å; A675-N678 PolarHBondContact O-N 3.45Å; M676-N678 VanDerWaalsContact C-N 3.35Å; N678-G680 PolarHBondContact O-N 3.21Å
679A95.3Very high94.3Very high50 Ų5046.3 Ų46.341%0.41328%0.275SS..THydrogen-bonded Turntrans-76.7416900000113.7A675 M676 V677 L681 I698A675-A679 WeakPolarHBondContact O-CB 3.36Å; A675-A679 PolarHBondContact O-N 3.24Å; M676-A679 CarbonylContact O-C 3.48Å; M676-A679 PolarHBondContact O-N 3.46Å; V677-A679 VanDerWaalsContact C-N 3.31Å; V677-A679 PolarHBondContact O-N 2.84Å; A679-L681 VanDerWaalsContact C-N 3.35Å; A679-L681 HydrophobicContact CB-CG 4.34Å; A679-L681 PolarHBondContact O-N 3.18Å; A679-I698 HydrophobicContact CB-CD1 3.77Å; A679-I698 HydrophobicContact CB-CG1 4.09Å; A679-I698 HydrophobicContact CB-CG2 3.87Å
680G95.1Very high94.6Very high31 Ų3146.4 Ų46.432%0.3227%0.273SS..THydrogen-bonded Turntrans80.56.7177.500000115.3M676 V677 N678 T682 K686M676-G680 PolarHBondContact O-N 2.85Å; V677-G680 WeakPolarHBondContact O-CA 3.33Å; V677-G680 PolarHBondContact O-N 2.95Å; N678-G680 PolarHBondContact O-N 3.21Å; G680-T682 PolarHBondContact O-N 3.34Å; G680-K686 WeakPolarHBondContact O-CD 3.28Å; G680-K686 PolarHBondContact O-NZ 2.89Å
681L95.2Very high94.9Very high14 Ų1448.1 Ų48.17%0.07328%0.283CS..  trans-79.957.8-177.5-55.7-178000112.5M676 A679 S683 K686 I687 T690 L695 I698M676-L681 HydrophobicContact CB-CB 4.16Å; M676-L681 HydrophobicContact CB-CD1 4.42Å; M676-L681 HydrophobicContact CE-CD1 4.09Å; M676-L681 HydrophobicContact CG-CD1 4.45Å; M676-L681 WeakPolarHBondContact O-CB 3.31Å; M676-L681 PolarHBondContact O-N 2.87Å; A679-L681 VanDerWaalsContact C-N 3.35Å; A679-L681 HydrophobicContact CB-CG 4.34Å; A679-L681 PolarHBondContact O-N 3.18Å; L681-S683 VanDerWaalsContact C-N 3.34Å; L681-S683 PolarHBondContact O-N 3.09Å; L681-K686 HydrophobicContact CD2-CB 4.33Å; L681-I687 HydrophobicContact CB-CG1 4.08Å; L681-T690 HydrophobicContact CD1-CG2 4.39Å; L681-T690 HydrophobicContact CD2-CG2 4.42Å; L681-T690 VanDerWaalsContact CD2-OG1 3.22Å; L681-T690 WeakPolarHBondContact CD2-OG1 3.23Å; L681-L695 HydrophobicContact CD1-CD2 3.54Å; L681-I698 HydrophobicContact CD1-CD1 3.96Å
682T95.5Very high95.1Very high49 Ų4943.4 Ų43.430%0.30125%0.254SS..  trans-85.68.5-170.5660000115.4P659 G680 K686P659-T682 HydrophobicContact CB-CG2 3.85Å; G680-T682 PolarHBondContact O-N 3.34Å; T682-K686 PolarHBondContact OG1-NZ 2.69Å
683S96Very high95.2Very high41 Ų4147.9 Ų47.929%0.28727%0.269SS..SBendtrans-153.9152.8179.369.60000111.4L681 S685 K686 I687L681-S683 VanDerWaalsContact C-N 3.34Å; L681-S683 PolarHBondContact O-N 3.09Å; S683-S685 VanDerWaalsContact C-N 3.29Å; S683-S685 PolarHBondContact O-N 2.88Å; S683-K686 WeakPolarHBondContact O-CB 3.1Å; S683-K686 PolarHBondContact O-N 3.16Å; S683-K686 VanDerWaalsContact O-N 3.12Å; S683-K686 WeakPolarHBondContact OG-CG 3.35Å; S683-I687 WeakPolarHBondContact O-CG1 3.35Å; S683-I687 PolarHBondContact O-N 3.34Å
684F95.7Very high95.2Very high13 Ų1352.9 Ų52.96%0.05729%0.292CS..Hα-helixtrans-56.5-42.2178.7-70.3-53.1000112.6V661 M665 K686 I687 E688 V713 L716 V813 L815V661-F684 HydrophobicContact CB-CE1 4.22Å; V661-F684 HydrophobicContact CB-CE2 4.23Å; V661-F684 HydrophobicContact CB-CZ 4.05Å; V661-F684 HydrophobicContact CG2-CD1 4.19Å; V661-F684 HydrophobicContact CG2-CE1 4.24Å; V661-F684 HydrophobicContact CG2-CG 4.4Å; M665-F684 HydrophobicContact CE-CE1 3.82Å; M665-F684 HydrophobicContact CE-CZ 4.06Å; M665-F684 HydrophobicContact CG-CE1 4.38Å; M665-F684 HydrophobicContact SD-CE1 4.02Å; F684-K686 VanDerWaalsContact C-N 3.31Å; F684-K686 PolarHBondContact O-N 3.15Å; F684-I687 HydrophobicContact CD1-CD1 4.5Å; F684-I687 PolarHBondContact O-N 2.98Å; F684-I687 VanDerWaalsContact O-N 3.1Å; F684-E688 PolarHBondContact O-N 2.97Å; F684-V713 HydrophobicContact CB-CG1 3.81Å; F684-V713 HydrophobicContact CD1-CG1 4.1Å; F684-V713 HydrophobicContact CD1-CG2 3.97Å; F684-V713 HydrophobicContact CG-CG1 4.35Å; F684-V713 WeakPolarHBondContact O-CG1 3.23Å; F684-L716 HydrophobicContact CD1-CD1 3.7Å; F684-L716 HydrophobicContact CD2-CD1 4.02Å; F684-L716 HydrophobicContact CE1-CD1 3.64Å; F684-L716 HydrophobicContact CE2-CD1 3.94Å; F684-L716 HydrophobicContact CG-CD1 3.89Å; F684-L716 HydrophobicContact CZ-CD1 3.75Å; F684-V813 WeakPolarHBondContact CE2-O 3.48Å; F684-L815 HydrophobicContact CD2-CD2 3.74Å; F684-L815 HydrophobicContact CD2-CG 4.39Å; F684-L815 HydrophobicContact CE2-CD2 4.12Å; F684-L815 HydrophobicContact CE2-CG 4.29Å
685S94.4Very high95.2Very high63 Ų6350.6 Ų50.644%0.44128%0.278SS..Hα-helixtrans-54.7-42.4175.6-175.30000112.9S683 Q689S683-S685 VanDerWaalsContact C-N 3.29Å; S683-S685 PolarHBondContact O-N 2.88Å; S685-Q689 VanDerWaalsContact O-CD 3.29Å; S685-Q689 WeakPolarHBondContact O-CG 3.39Å; S685-Q689 PolarHBondContact O-N 3.44Å; S685-Q689 VanDerWaalsContact O-N 3.17Å; S685-Q689 PolarHBondContact OG-NE2 2.96Å
686K95.5Very high95.2Very high83 Ų8349.6 Ų49.636%0.36127%0.268SS..Hα-helixtrans-66.2-44.4174.9-69.8174.6175-179.80112.1G680 L681 T682 S683 F684 E688 Q689 T690G680-K686 WeakPolarHBondContact O-CD 3.28Å; G680-K686 PolarHBondContact O-NZ 2.89Å; L681-K686 HydrophobicContact CD2-CB 4.33Å; T682-K686 PolarHBondContact OG1-NZ 2.69Å; S683-K686 WeakPolarHBondContact O-CB 3.1Å; S683-K686 PolarHBondContact O-N 3.16Å; S683-K686 VanDerWaalsContact O-N 3.12Å; S683-K686 WeakPolarHBondContact OG-CG 3.35Å; F684-K686 VanDerWaalsContact C-N 3.31Å; F684-K686 PolarHBondContact O-N 3.15Å; K686-E688 VanDerWaalsContact C-N 3.3Å; K686-E688 PolarHBondContact O-N 2.85Å; K686-Q689 PolarHBondContact O-N 3.48Å; K686-Q689 VanDerWaalsContact O-N 3.17Å; K686-T690 PolarHBondContact O-N 2.77Å; K686-T690 PolarHBondContact O-OG1 3.41Å
687I95.1Very high95.1Very high0 Ų056.4 Ų56.40%030%0.304CS..Hα-helixtrans-62.5-40-179-60.9165.6000110.5V661 M676 L681 S683 F684 T690 L695 I709 V713V661-I687 HydrophobicContact CG2-CD1 4.18Å; M676-I687 HydrophobicContact CE-CB 4.49Å; M676-I687 HydrophobicContact CE-CD1 3.73Å; M676-I687 HydrophobicContact CE-CG1 3.71Å; M676-I687 HydrophobicContact CE-CG2 3.95Å; L681-I687 HydrophobicContact CB-CG1 4.08Å; S683-I687 WeakPolarHBondContact O-CG1 3.35Å; S683-I687 PolarHBondContact O-N 3.34Å; F684-I687 HydrophobicContact CD1-CD1 4.5Å; F684-I687 PolarHBondContact O-N 2.98Å; F684-I687 VanDerWaalsContact O-N 3.1Å; I687-T690 PolarHBondContact O-N 3.17Å; I687-L695 HydrophobicContact CG2-CD1 4.38Å; I687-L695 HydrophobicContact CG2-CD2 4.49Å; I687-I709 HydrophobicContact CG2-CG2 3.84Å; I687-V713 HydrophobicContact CB-CG2 4.48Å; I687-V713 HydrophobicContact CG2-CG2 3.98Å
688E94.6Very high95Very high44 Ų4457.4 Ų57.421%0.20631%0.308CS..Hα-helixtrans-65.1-36.1174.6178.4174.3-143.200113.4F684 K686 R710 V713 V714 K718F684-E688 PolarHBondContact O-N 2.97Å; K686-E688 VanDerWaalsContact C-N 3.3Å; K686-E688 PolarHBondContact O-N 2.85Å; E688-R710 VanDerWaalsContact O-CZ 3.31Å; E688-R710 PolarHBondContact O-NE 3.48Å; E688-R710 PolarHBondContact O-NH2 3.32Å; E688-V713 HydrophobicContact CB-CG1 4.07Å; E688-V714 HydrophobicContact CG-CG2 4.07Å; E688-V714 WeakPolarHBondContact OE1-CG2 3.27Å; E688-K718 IonicContact OE1-NZ 3.63Å; E688-K718 PolarHBondContact OE1-NZ 2.72Å; E688-K718 IonicContact OE2-NZ 3.76Å; E688-K718 PolarHBondContact OE2-NZ 3.03Å
689Q94.9Very high94.9Very high141 Ų14151.4 Ų51.466%0.65928%0.276SS*.Hα-helixtrans-76.7-22.1178.5-70.616415.500112.9S685 K686S685-Q689 VanDerWaalsContact O-CD 3.29Å; S685-Q689 WeakPolarHBondContact O-CG 3.39Å; S685-Q689 PolarHBondContact O-N 3.44Å; S685-Q689 VanDerWaalsContact O-N 3.17Å; S685-Q689 PolarHBondContact OG-NE2 2.96Å; K686-Q689 PolarHBondContact O-N 3.48Å; K686-Q689 VanDerWaalsContact O-N 3.17Å
690T96Very high94.9Very high12 Ų1256.1 Ų56.17%0.07429%0.294CS..SBendtrans-71.5146-178.5-52.50000111.3L681 K686 I687 E694 L695L681-T690 HydrophobicContact CD1-CG2 4.39Å; L681-T690 HydrophobicContact CD2-CG2 4.42Å; L681-T690 VanDerWaalsContact CD2-OG1 3.22Å; L681-T690 WeakPolarHBondContact CD2-OG1 3.23Å; K686-T690 PolarHBondContact O-N 2.77Å; K686-T690 PolarHBondContact O-OG1 3.41Å; I687-T690 PolarHBondContact O-N 3.17Å; T690-E694 HydrophobicContact CG2-CB 4.06Å; T690-E694 HydrophobicContact CG2-CG 3.96Å; T690-E694 WeakPolarHBondContact CG2-OE2 3.46Å; T690-L695 HydrophobicContact CG2-CD2 3.64Å; T690-L695 HydrophobicContact CG2-CG 3.82Å
691N95.4Very high94.7Very high89 Ų8961.3 Ų61.348%0.47630%0.304SS..  trans-69.9133.6177.4-172.2-45.8000110.4R693 E694 L695N691-R693 PolarHBondContact O-N 3.37Å; N691-R693 VanDerWaalsContact O-N 3.08Å; N691-R693 PolarHBondContact OD1-N 2.63Å; N691-E694 HydrophobicContact CB-CB 3.99Å; N691-E694 WeakPolarHBondContact O-CA 3.46Å; N691-E694 WeakPolarHBondContact O-CB 3.18Å; N691-E694 PolarHBondContact O-N 2.68Å; N691-L695 PolarHBondContact O-N 3.17Å
692P95.1Very high94.5Very high14 Ų1468.5 Ų68.59%0.09134%0.337CS..Hα-helixtrans-49.5-34.6173.9-3237.5000115.2E696 N707P692-E696 WeakPolarHBondContact O-CB 3.48Å; P692-E696 VanDerWaalsContact O-CD 3.31Å; P692-E696 VanDerWaalsContact O-CG 3.28Å; P692-E696 WeakPolarHBondContact O-CG 3.45Å; P692-E696 PolarHBondContact O-N 2.85Å; P692-N707 HydrophobicContact CB-CB 4.41Å; P692-N707 VanDerWaalsContact CB-OD1 3.29Å; P692-N707 WeakPolarHBondContact CB-OD1 3.27Å
693R96Very high94.4Very high122 Ų12270 Ų7046%0.4635%0.347SS..Hα-helixtrans-74.1-29.6177.7-55.3-48.6-178.4-152.7-3.8112.9N691 E696 L697 N707N691-R693 PolarHBondContact O-N 3.37Å; N691-R693 VanDerWaalsContact O-N 3.08Å; N691-R693 PolarHBondContact OD1-N 2.63Å; R693-E696 WeakPolarHBondContact CD-OE2 3.27Å; R693-E696 IonicContact CZ-OE2 3Å; R693-E696 IonicContact NE-OE2 2.88Å; R693-E696 VanDerWaalsContact NH1-CD 3.32Å; R693-E696 IonicContact NH1-OE1 3.82Å; R693-E696 PolarHBondContact NH1-OE1 3.12Å; R693-E696 VanDerWaalsContact NH1-OE1 3.09Å; R693-E696 IonicContact NH1-OE2 2.66Å; R693-E696 PolarHBondContact NH1-OE2 2.77Å; R693-L697 VanDerWaalsContact O-CG 3.27Å; R693-L697 WeakPolarHBondContact O-CG 3.32Å; R693-L697 PolarHBondContact O-N 3.34Å; R693-N707 PolarHBondContact NH1-ND2 3.11Å
694E95Very high94.2Very high104 Ų10471.6 Ų71.649%0.48636%0.357SS..Hα-helixtrans-73.7-39.8173.7-176.4178-166.400110.7T690 N691 E696 L697 I698T690-E694 HydrophobicContact CG2-CB 4.06Å; T690-E694 HydrophobicContact CG2-CG 3.96Å; T690-E694 WeakPolarHBondContact CG2-OE2 3.46Å; N691-E694 HydrophobicContact CB-CB 3.99Å; N691-E694 WeakPolarHBondContact O-CA 3.46Å; N691-E694 WeakPolarHBondContact O-CB 3.18Å; N691-E694 PolarHBondContact O-N 2.68Å; E694-E696 VanDerWaalsContact C-N 3.35Å; E694-E696 PolarHBondContact O-N 3.07Å; E694-L697 PolarHBondContact O-N 2.98Å; E694-I698 HydrophobicContact CG-CD1 3.97Å; E694-I698 WeakPolarHBondContact O-CB 3.48Å; E694-I698 WeakPolarHBondContact O-CD1 3.43Å; E694-I698 VanDerWaalsContact O-CG1 3.26Å; E694-I698 WeakPolarHBondContact O-CG1 3.38Å; E694-I698 PolarHBondContact O-N 3.29Å
695L93.7Very high94.1Very high0 Ų072.4 Ų72.40%036%0.36CS..Hα-helixtrans-59.3-43.9169.7-64.5177000111.8M676 L681 I687 T690 N691 L697 I698 L699 I709 R710M676-L695 HydrophobicContact CE-CD2 4.18Å; L681-L695 HydrophobicContact CD1-CD2 3.54Å; I687-L695 HydrophobicContact CG2-CD1 4.38Å; I687-L695 HydrophobicContact CG2-CD2 4.49Å; T690-L695 HydrophobicContact CG2-CD2 3.64Å; T690-L695 HydrophobicContact CG2-CG 3.82Å; N691-L695 PolarHBondContact O-N 3.17Å; L695-L697 VanDerWaalsContact C-N 3.35Å; L695-L697 PolarHBondContact O-N 3.27Å; L695-I698 PolarHBondContact O-N 2.77Å; L695-L699 VanDerWaalsContact O-CB 3.27Å; L695-L699 WeakPolarHBondContact O-CB 3.39Å; L695-L699 VanDerWaalsContact O-CG 3.23Å; L695-L699 WeakPolarHBondContact O-CG 3.32Å; L695-L699 PolarHBondContact O-N 3.44Å; L695-I709 HydrophobicContact CD1-CG2 4.3Å; L695-R710 HydrophobicContact CD1-CB 4.44Å
696E94.9Very high94Very high9 Ų969.4 Ų69.44%0.04234%0.339CS..Hα-helixtrans-61-40.2176-78.5158.1-170.400112.3P692 R693 E694 N700 R701 P703 F705 G706 N707P692-E696 WeakPolarHBondContact O-CB 3.48Å; P692-E696 VanDerWaalsContact O-CD 3.31Å; P692-E696 VanDerWaalsContact O-CG 3.28Å; P692-E696 WeakPolarHBondContact O-CG 3.45Å; P692-E696 PolarHBondContact O-N 2.85Å; R693-E696 WeakPolarHBondContact CD-OE2 3.27Å; R693-E696 IonicContact CZ-OE2 3Å; R693-E696 IonicContact NE-OE2 2.88Å; R693-E696 VanDerWaalsContact NH1-CD 3.32Å; R693-E696 IonicContact NH1-OE1 3.82Å; R693-E696 PolarHBondContact NH1-OE1 3.12Å; R693-E696 VanDerWaalsContact NH1-OE1 3.09Å; R693-E696 IonicContact NH1-OE2 2.66Å; R693-E696 PolarHBondContact NH1-OE2 2.77Å; E694-E696 VanDerWaalsContact C-N 3.35Å; E694-E696 PolarHBondContact O-N 3.07Å; E696-N700 PolarHBondContact O-N 3.22Å; E696-N700 VanDerWaalsContact O-N 3.1Å; E696-R701 WeakPolarHBondContact CB-O 3.48Å; E696-R701 PolarHBondContact O-N 3.27Å; E696-P703 WeakPolarHBondContact OE2-CG 3.49Å; E696-F705 HydrophobicContact CG-CB 4.49Å; E696-F705 PolarHBondContact OE1-N 3.23Å; E696-G706 VanDerWaalsContact CG-N 3.3Å; E696-G706 PolarHBondContact OE1-N 2.57Å; E696-N707 PolarHBondContact OE1-ND2 3.35Å
697L94.1Very high94Very high144 Ų14468.1 Ų68.175%0.75434%0.337SS*.Hα-helixtrans-68.4-47.7174.5-73.2166.1000112.9R693 E694 L695 L699 N700R693-L697 VanDerWaalsContact O-CG 3.27Å; R693-L697 WeakPolarHBondContact O-CG 3.32Å; R693-L697 PolarHBondContact O-N 3.34Å; E694-L697 PolarHBondContact O-N 2.98Å; L695-L697 VanDerWaalsContact C-N 3.35Å; L695-L697 PolarHBondContact O-N 3.27Å; L697-L699 PolarHBondContact O-N 2.61Å; L697-N700 PolarHBondContact O-N 3.19Å
698I93.6Very high93.9Very high49 Ų4972.4 Ų72.425%0.25136%0.357SS..Hα-helixtrans-59.4-36.6178.8-71.2162.6000111.4A675 A679 L681 E694 L695A675-I698 HydrophobicContact CB-CG2 4.44Å; A679-I698 HydrophobicContact CB-CD1 3.77Å; A679-I698 HydrophobicContact CB-CG1 4.09Å; A679-I698 HydrophobicContact CB-CG2 3.87Å; L681-I698 HydrophobicContact CD1-CD1 3.96Å; E694-I698 HydrophobicContact CG-CD1 3.97Å; E694-I698 WeakPolarHBondContact O-CB 3.48Å; E694-I698 WeakPolarHBondContact O-CD1 3.43Å; E694-I698 VanDerWaalsContact O-CG1 3.26Å; E694-I698 WeakPolarHBondContact O-CG1 3.38Å; E694-I698 PolarHBondContact O-N 3.29Å; L695-I698 PolarHBondContact O-N 2.77Å
699L92.9Very high93.9Very high8 Ų870.6 Ų70.64%0.04235%0.348CS..THydrogen-bonded Turntrans-93-4.9-175.5-64.7173.8000113.7L672 A675 M676 L695 L697 R701 F705 I709L672-L699 HydrophobicContact CB-CD2 3.87Å; L672-L699 HydrophobicContact CD2-CD2 4.14Å; L672-L699 WeakPolarHBondContact O-CD2 3.39Å; A675-L699 HydrophobicContact CB-CD2 4.47Å; M676-L699 HydrophobicContact CG-CD2 3.64Å; M676-L699 HydrophobicContact CG-CG 4.34Å; M676-L699 HydrophobicContact SD-CD1 4.24Å; M676-L699 HydrophobicContact SD-CD2 4.09Å; L695-L699 VanDerWaalsContact O-CB 3.27Å; L695-L699 WeakPolarHBondContact O-CB 3.39Å; L695-L699 VanDerWaalsContact O-CG 3.23Å; L695-L699 WeakPolarHBondContact O-CG 3.32Å; L695-L699 PolarHBondContact O-N 3.44Å; L697-L699 PolarHBondContact O-N 2.61Å; L699-R701 VanDerWaalsContact C-N 3.32Å; L699-R701 HydrophobicContact CB-CG 4.3Å; L699-R701 PolarHBondContact O-N 3.04Å; L699-F705 HydrophobicContact CD1-CD1 4.27Å; L699-F705 HydrophobicContact CD1-CE1 3.91Å; L699-I709 HydrophobicContact CD1-CD1 3.31Å
700N93.4Very high93.8Very high149 Ų14968.6 Ų68.680%0.79734%0.335SS*.THydrogen-bonded Turntrans49.349.6-171.5-168.532.3000112.6E696 L697E696-N700 PolarHBondContact O-N 3.22Å; E696-N700 VanDerWaalsContact O-N 3.1Å; L697-N700 PolarHBondContact O-N 3.19Å
701R92.8Very high93.6Very high140 Ų14071.7 Ų71.753%0.52835%0.348SS..  trans-128.1148.3179.4-66.6-61.2-173.8170.80.9110.8E696 L699 F705E696-R701 WeakPolarHBondContact CB-O 3.48Å; E696-R701 PolarHBondContact O-N 3.27Å; L699-R701 VanDerWaalsContact C-N 3.32Å; L699-R701 HydrophobicContact CB-CG 4.3Å; L699-R701 PolarHBondContact O-N 3.04Å; R701-F705 HydrophobicContact CB-CB 4.06Å; R701-F705 HydrophobicContact CB-CD1 3.47Å; R701-F705 VanDerWaalsContact CB-CD1 3.47Å; R701-F705 HydrophobicContact CB-CE1 4.1Å; R701-F705 HydrophobicContact CB-CG 3.95Å; R701-F705 HydrophobicContact CG-CD1 3.67Å; R701-F705 HydrophobicContact CG-CE1 3.75Å; R701-F705 HydrophobicContact CG-CG 4.36Å
702H91.1Very high93.5Very high164 Ų16468.4 Ų68.476%0.75933%0.333SS*.  trans-77.2156.3-178.2-66.9-53.5000113.1F705H702-F705 VanDerWaalsContact O-CB 3.3Å; H702-F705 WeakPolarHBondContact O-CB 3.19Å; H702-F705 PolarHBondContact O-N 3.13Å; H702-F705 VanDerWaalsContact O-N 3.12Å
703P91.4Very high93.5Very high80 Ų8067.9 Ų67.952%0.51933%0.329SS..THydrogen-bonded Turntrans-45.5138.7161.9-29.835.3000112.6E696E696-P703 WeakPolarHBondContact OE2-CG 3.49Å
704P93.7Very high93.4Very high76 Ų7663.8 Ų63.849%0.49432%0.317SS..THydrogen-bonded Turncis-98.621.2639.5-36.3000114.6G706 N707 Q708P704-G706 VanDerWaalsContact C-N 3.32Å; P704-G706 PolarHBondContact O-N 3.1Å; P704-G706 VanDerWaalsContact O-N 3.13Å; P704-N707 HydrophobicContact CB-CB 4.5Å; P704-N707 WeakPolarHBondContact O-CA 3.47Å; P704-N707 VanDerWaalsContact O-CB 3.25Å; P704-N707 WeakPolarHBondContact O-CB 3.1Å; P704-N707 PolarHBondContact O-N 2.73Å; P704-N707 PolarHBondContact O-ND2 3.4Å; P704-Q708 PolarHBondContact O-N 2.92Å
705F92.6Very high93.4Very high29 Ų2959.8 Ų59.813%0.12730%0.299CS..Hα-helixtrans-52.4-40.1-166.3-171.2-115000115.2K667 L672 E696 L699 R701 H702 N707 Q708 I709K667-F705 HydrophobicContact CB-CE2 4.31Å; L672-F705 HydrophobicContact CD1-CZ 4.39Å; E696-F705 HydrophobicContact CG-CB 4.49Å; E696-F705 PolarHBondContact OE1-N 3.23Å; L699-F705 HydrophobicContact CD1-CD1 4.27Å; L699-F705 HydrophobicContact CD1-CE1 3.91Å; R701-F705 HydrophobicContact CB-CB 4.06Å; R701-F705 HydrophobicContact CB-CD1 3.47Å; R701-F705 VanDerWaalsContact CB-CD1 3.47Å; R701-F705 HydrophobicContact CB-CE1 4.1Å; R701-F705 HydrophobicContact CB-CG 3.95Å; R701-F705 HydrophobicContact CG-CD1 3.67Å; R701-F705 HydrophobicContact CG-CE1 3.75Å; R701-F705 HydrophobicContact CG-CG 4.36Å; H702-F705 VanDerWaalsContact O-CB 3.3Å; H702-F705 WeakPolarHBondContact O-CB 3.19Å; H702-F705 PolarHBondContact O-N 3.13Å; H702-F705 VanDerWaalsContact O-N 3.12Å; F705-N707 VanDerWaalsContact C-N 3.26Å; F705-N707 PolarHBondContact O-N 3.02Å; F705-Q708 WeakPolarHBondContact O-CB 3.37Å; F705-Q708 PolarHBondContact O-N 2.89Å; F705-I709 HydrophobicContact CD1-CD1 3.88Å; F705-I709 HydrophobicContact CE1-CD1 3.59Å; F705-I709 HydrophobicContact CE1-CG1 4.47Å; F705-I709 HydrophobicContact CZ-CD1 4.09Å; F705-I709 PolarHBondContact O-N 3.28Å; F705-I709 VanDerWaalsContact O-N 3.11Å
706G93.3Very high93.4Very high0 Ų059.9 Ų59.90%030%0.299CS..Hα-helixtrans-70.8-2317900000113.2E696 P704 R710E696-G706 VanDerWaalsContact CG-N 3.3Å; E696-G706 PolarHBondContact OE1-N 2.57Å; P704-G706 VanDerWaalsContact C-N 3.32Å; P704-G706 PolarHBondContact O-N 3.1Å; P704-G706 VanDerWaalsContact O-N 3.13Å; G706-R710 WeakPolarHBondContact O-CB 3.46Å; G706-R710 PolarHBondContact O-N 3.34Å; G706-R710 VanDerWaalsContact O-N 3.09Å
707N94.1Very high93.4Very high57 Ų5759.5 Ų59.531%0.30530%0.298SS..Hα-helixtrans-73.3-40.1173.5-54.6-93.2000109.9P692 R693 E696 P704 F705 R710 E711P692-N707 HydrophobicContact CB-CB 4.41Å; P692-N707 VanDerWaalsContact CB-OD1 3.29Å; P692-N707 WeakPolarHBondContact CB-OD1 3.27Å; R693-N707 PolarHBondContact NH1-ND2 3.11Å; E696-N707 PolarHBondContact OE1-ND2 3.35Å; P704-N707 HydrophobicContact CB-CB 4.5Å; P704-N707 WeakPolarHBondContact O-CA 3.47Å; P704-N707 VanDerWaalsContact O-CB 3.25Å; P704-N707 WeakPolarHBondContact O-CB 3.1Å; P704-N707 PolarHBondContact O-N 2.73Å; P704-N707 PolarHBondContact O-ND2 3.4Å; F705-N707 VanDerWaalsContact C-N 3.26Å; F705-N707 PolarHBondContact O-N 3.02Å; N707-R710 PolarHBondContact O-N 3.12Å; N707-E711 VanDerWaalsContact O-CB 3.24Å; N707-E711 WeakPolarHBondContact O-CB 3.31Å; N707-E711 PolarHBondContact O-N 3Å
708Q93.9Very high93.4Very high90 Ų9055.1 Ų55.142%0.42127%0.273SS..Hα-helixtrans-62.5-45.7175.6-63174.3-1800111.2P704 F705 R710 E711 S712P704-Q708 PolarHBondContact O-N 2.92Å; F705-Q708 WeakPolarHBondContact O-CB 3.37Å; F705-Q708 PolarHBondContact O-N 2.89Å; Q708-R710 PolarHBondContact O-N 3.29Å; Q708-E711 PolarHBondContact O-N 3.1Å; Q708-S712 PolarHBondContact O-N 3.06Å; Q708-S712 PolarHBondContact O-OG 3.49Å; Q708-S712 VanDerWaalsContact O-OG 3.12Å
709I93.1Very high93.5Very high6 Ų653.6 Ų53.63%0.03126%0.264CS..Hα-helixtrans-59.7-48.9175.3-65.3174.7000110.9I668 I687 L695 L699 F705 E711 S712 V713I668-I709 HydrophobicContact CD1-CD1 3.72Å; I668-I709 HydrophobicContact CD1-CG1 3.93Å; I668-I709 HydrophobicContact CD1-CG2 4.06Å; I668-I709 HydrophobicContact CG1-CD1 4.29Å; I668-I709 HydrophobicContact CG1-CG1 4.49Å; I687-I709 HydrophobicContact CG2-CG2 3.84Å; L695-I709 HydrophobicContact CD1-CG2 4.3Å; L699-I709 HydrophobicContact CD1-CD1 3.31Å; F705-I709 HydrophobicContact CD1-CD1 3.88Å; F705-I709 HydrophobicContact CE1-CD1 3.59Å; F705-I709 HydrophobicContact CE1-CG1 4.47Å; F705-I709 HydrophobicContact CZ-CD1 4.09Å; F705-I709 PolarHBondContact O-N 3.28Å; F705-I709 VanDerWaalsContact O-N 3.11Å; I709-E711 PolarHBondContact O-N 2.93Å; I709-S712 PolarHBondContact O-N 3.31Å; I709-V713 WeakPolarHBondContact O-CG2 3.46Å; I709-V713 PolarHBondContact O-N 3.25Å; I709-V713 VanDerWaalsContact O-N 3.12Å
710R93.7Very high93.6Very high98 Ų9855.8 Ų55.837%0.3728%0.275SS..Hα-helixtrans-63.1-42.4-179.7-167.9177.2-171.9-134.1-0.8111.6E688 L695 G706 N707 Q708 V713 V714E688-R710 VanDerWaalsContact O-CZ 3.31Å; E688-R710 PolarHBondContact O-NE 3.48Å; E688-R710 PolarHBondContact O-NH2 3.32Å; L695-R710 HydrophobicContact CD1-CB 4.44Å; G706-R710 WeakPolarHBondContact O-CB 3.46Å; G706-R710 PolarHBondContact O-N 3.34Å; G706-R710 VanDerWaalsContact O-N 3.09Å; N707-R710 PolarHBondContact O-N 3.12Å; Q708-R710 PolarHBondContact O-N 3.29Å; R710-V713 PolarHBondContact O-N 3Å; R710-V714 VanDerWaalsContact O-CG2 3.26Å; R710-V714 WeakPolarHBondContact O-CG2 3.38Å; R710-V714 PolarHBondContact O-N 3.35Å
711E92.5Very high93.7Very high77 Ų7749.3 Ų49.336%0.3624%0.24SC..Hα-helixtrans-61.8-44.2176-170-171.4-165.600111.9N707 Q708 I709 V713 V714 H715 R751N707-E711 VanDerWaalsContact O-CB 3.24Å; N707-E711 WeakPolarHBondContact O-CB 3.31Å; N707-E711 PolarHBondContact O-N 3Å; Q708-E711 PolarHBondContact O-N 3.1Å; I709-E711 PolarHBondContact O-N 2.93Å; E711-V713 VanDerWaalsContact C-N 3.27Å; E711-V713 PolarHBondContact O-N 3.17Å; E711-V714 PolarHBondContact O-N 2.94Å; E711-H715 PolarHBondContact O-N 3.22Å; E711-H715 PolarHBondContact O-ND1 3.33Å; E711-R751 IonicContact OE1-CZ 2.68Å; E711-R751 IonicContact OE1-NH1 3.09Å; E711-R751 PolarHBondContact OE1-NH1 3.42Å; E711-R751 IonicContact OE2-CZ 3.29Å; E711-R751 IonicContact OE2-NH1 2.74Å; E711-R751 PolarHBondContact OE2-NH1 3.48Å
712S92.9Very high93.8Very high21 Ų2146.6 Ų46.615%0.14724%0.236CC..Hα-helixtrans-57-41.6174.3-660000111.6Q708 I709 T753Q708-S712 PolarHBondContact O-N 3.06Å; Q708-S712 PolarHBondContact O-OG 3.49Å; Q708-S712 VanDerWaalsContact O-OG 3.12Å; I709-S712 PolarHBondContact O-N 3.31Å; S712-T753 WeakPolarHBondContact CA-OG1 3.39Å; S712-T753 VanDerWaalsContact O-CB 3.3Å; S712-T753 WeakPolarHBondContact O-CB 3.35Å; S712-T753 PolarHBondContact O-OG1 3.2Å
713V94.5Very high93.9Very high3 Ų340.4 Ų40.42%0.01821%0.209CC..Hα-helixtrans-74.1-37.3-179.1177.50000112.8M665 F684 I687 E688 I709 R710 E711 H715 L716M665-V713 HydrophobicContact CG-CG2 4.43Å; M665-V713 HydrophobicContact SD-CG2 3.8Å; F684-V713 HydrophobicContact CB-CG1 3.81Å; F684-V713 HydrophobicContact CD1-CG1 4.1Å; F684-V713 HydrophobicContact CD1-CG2 3.97Å; F684-V713 HydrophobicContact CG-CG1 4.35Å; F684-V713 WeakPolarHBondContact O-CG1 3.23Å; I687-V713 HydrophobicContact CB-CG2 4.48Å; I687-V713 HydrophobicContact CG2-CG2 3.98Å; E688-V713 HydrophobicContact CB-CG1 4.07Å; I709-V713 WeakPolarHBondContact O-CG2 3.46Å; I709-V713 PolarHBondContact O-N 3.25Å; I709-V713 VanDerWaalsContact O-N 3.12Å; R710-V713 PolarHBondContact O-N 3Å; E711-V713 VanDerWaalsContact C-N 3.27Å; E711-V713 PolarHBondContact O-N 3.17Å; V713-H715 PolarHBondContact O-N 3.44Å; V713-L716 PolarHBondContact O-N 3.16Å
714V94.6Very high94Very high35 Ų3542.6 Ų42.621%0.21221%0.212CC..Hα-helixtrans-58.5-35.4175.7167.80000111.8E688 R710 E711 N744 Q747E688-V714 HydrophobicContact CG-CG2 4.07Å; E688-V714 WeakPolarHBondContact OE1-CG2 3.27Å; R710-V714 VanDerWaalsContact O-CG2 3.26Å; R710-V714 WeakPolarHBondContact O-CG2 3.38Å; R710-V714 PolarHBondContact O-N 3.35Å; E711-V714 PolarHBondContact O-N 2.94Å; V714-N744 PolarHBondContact O-ND2 2.76Å; V714-Q747 HydrophobicContact CG1-CG 4.32Å
715H94.4Very high93.9Very high20 Ų2040.6 Ų40.69%0.09320%0.196CC..THydrogen-bonded Turntrans-95.217.8-179.1-58.2104.7000114E711 V713 Q747 L748 R751 T753E711-H715 PolarHBondContact O-N 3.22Å; E711-H715 PolarHBondContact O-ND1 3.33Å; V713-H715 PolarHBondContact O-N 3.44Å; H715-Q747 PolarHBondContact CD2-O 3.33Å; H715-L748 WeakPolarHBondContact O-CD2 3.29Å; H715-R751 PolarHBondContact CD2-O 2.77Å; H715-T753 WeakPolarHBondContact CB-OG1 3.48Å; H715-T753 PolarHBondContact O-N 2.83Å
716L94.5Very high93.7Very high2 Ų240.8 Ų40.81%0.0120%0.199CC..SBendtrans-83145.6162-72.6171.8000110.8M665 F684 V713 K718 N744 T753 Y812M665-L716 HydrophobicContact CE-CD1 3.95Å; M665-L716 HydrophobicContact CE-CD2 4.3Å; M665-L716 HydrophobicContact SD-CD1 4.22Å; F684-L716 HydrophobicContact CD1-CD1 3.7Å; F684-L716 HydrophobicContact CD2-CD1 4.02Å; F684-L716 HydrophobicContact CE1-CD1 3.64Å; F684-L716 HydrophobicContact CE2-CD1 3.94Å; F684-L716 HydrophobicContact CG-CD1 3.89Å; F684-L716 HydrophobicContact CZ-CD1 3.75Å; V713-L716 PolarHBondContact O-N 3.16Å; L716-K718 PolarHBondContact O-N 3.08Å; L716-N744 PolarHBondContact O-ND2 2.72Å; L716-T753 HydrophobicContact CD2-CG2 3.82Å; L716-T753 HydrophobicContact CG-CG2 4.31Å; L716-Y812 HydrophobicContact CD2-CD1 4.25Å; L716-Y812 HydrophobicContact CD2-CD2 4.37Å; L716-Y812 HydrophobicContact CD2-CE1 3.92Å; L716-Y812 HydrophobicContact CD2-CE2 4.05Å; L716-Y812 HydrophobicContact CD2-CG 4.47Å
717P94Very high93.2Very high2 Ų246.6 Ų46.61%0.01324%0.236CC..  trans-58.9129.5174.6-25.735.2000113.8Y719 L742 A754 D779P717-Y719 HydrophobicContact CB-CE1 4.06Å; P717-Y719 HydrophobicContact CB-CE2 3.66Å; P717-Y719 WeakPolarHBondContact CB-OH 3.26Å; P717-L742 HydrophobicContact CB-CD1 4.13Å; P717-A754 HydrophobicContact CG-CB 3.82Å; P717-D779 WeakPolarHBondContact CG-OD2 3.49Å
718K94.5Very high92.3Very high52 Ų5253 Ų5323%0.22626%0.256CS..  trans-114.6107174.9-56.4-179.8-159.3-178.60110.1E688 L716 L742 Q743 N744E688-K718 IonicContact OE1-NZ 3.63Å; E688-K718 PolarHBondContact OE1-NZ 2.72Å; E688-K718 IonicContact OE2-NZ 3.76Å; E688-K718 PolarHBondContact OE2-NZ 3.03Å; L716-K718 PolarHBondContact O-N 3.08Å; K718-L742 CarbonylContact O-C 3.58Å; K718-Q743 HydrophobicContact CB-CB 4.26Å; K718-Q743 PolarHBondContact O-N 2.95Å; K718-N744 WeakPolarHBondContact CB-OD1 3.28Å; K718-N744 HydrophobicContact CD-CB 4.22Å; K718-N744 PolarHBondContact N-OD1 3.27Å
719Y95.1Very high91.4Very high17 Ų1754.1 Ų54.17%0.06726%0.257CS..EExtended strand (participates in β ladder)trans-91.8156.7-179.1-50-77.2000111.8P717 T741 L742 H758 V760 D779 L782 L807 I817P717-Y719 HydrophobicContact CB-CE1 4.06Å; P717-Y719 HydrophobicContact CB-CE2 3.66Å; P717-Y719 WeakPolarHBondContact CB-OH 3.26Å; Y719-T741 CarbonylContact C-O 3.47Å; Y719-T741 WeakPolarHBondContact CA-O 3.27Å; Y719-L742 HydrophobicContact CD1-CD1 4.13Å; Y719-L742 HydrophobicContact CE1-CD1 4.01Å; Y719-H758 PolarHBondContact OH-CE1 3.44Å; Y719-H758 PolarHBondContact OH-ND1 2.95Å; Y719-V760 HydrophobicContact CD1-CG2 4.35Å; Y719-V760 HydrophobicContact CD2-CG1 3.98Å; Y719-V760 HydrophobicContact CE1-CG1 4.11Å; Y719-V760 HydrophobicContact CE1-CG2 3.95Å; Y719-V760 HydrophobicContact CE2-CG1 3.38Å; Y719-V760 VanDerWaalsContact CZ-CG1 3.44Å; Y719-D779 PolarHBondContact OH-OD1 3.13Å; Y719-D779 PolarHBondContact OH-OD2 3.19Å; Y719-L782 HydrophobicContact CD1-CD1 4.1Å; Y719-L782 HydrophobicContact CE1-CD1 3.75Å; Y719-L807 HydrophobicContact CD1-CD2 4.45Å; Y719-L807 HydrophobicContact CD2-CD2 4.37Å; Y719-L807 HydrophobicContact CG-CD2 3.91Å; Y719-I817 WeakPolarHBondContact O-CD1 3.4Å
720D95.4Very high90.8Very high53 Ų5355.6 Ų55.628%0.28327%0.268SS..EExtended strand (participates in β ladder)trans-137.8149.2169.1177.939.5000109.2N722 V740 T741 Q743D720-N722 PolarHBondContact OD2-ND2 2.91Å; D720-V740 CarbonylContact O-C 3.58Å; D720-V740 VanDerWaalsContact O-CA 3.31Å; D720-V740 WeakPolarHBondContact O-CA 3.46Å; D720-T741 PolarHBondContact N-O 2.99Å; D720-T741 PolarHBondContact O-N 2.87Å; D720-Q743 HydrophobicContact CB-CG 4.01Å
721I95.6Very high90.1Very high13 Ų1353.2 Ų53.27%0.06727%0.267CS..EExtended strand (participates in β ladder)trans-132.3116.5-178.6-49.2177.4000109.7L723 V738 K739 L807 I817 L819I721-L723 HydrophobicContact CG2-CD1 3.94Å; I721-L723 HydrophobicContact CG2-CG 4.36Å; I721-V738 HydrophobicContact CG2-CG1 4.14Å; I721-K739 WeakPolarHBondContact CA-O 3.32Å; I721-L807 HydrophobicContact CD1-CB 3.53Å; I721-L807 HydrophobicContact CD1-CD2 3.94Å; I721-L807 HydrophobicContact CD1-CG 4.29Å; I721-L807 HydrophobicContact CG1-CD2 4.12Å; I721-I817 HydrophobicContact CD1-CB 3.82Å; I721-I817 HydrophobicContact CD1-CD1 4.22Å; I721-I817 HydrophobicContact CD1-CG2 3.62Å; I721-I817 HydrophobicContact CG1-CD1 4Å; I721-I817 HydrophobicContact CG1-CG2 4.19Å; I721-L819 HydrophobicContact CB-CD1 4.07Å; I721-L819 HydrophobicContact CG2-CD1 4.37Å
722N94.8Very high89.6Confident83 Ų8353.7 Ų53.744%0.44428%0.275SS..EExtended strand (participates in β ladder)trans-108.1136.1171.4-64.9-92.2000109.1D720 K739D720-N722 PolarHBondContact OD2-ND2 2.91Å; N722-K739 PolarHBondContact N-O 3.35Å; N722-K739 PolarHBondContact O-N 3.02Å
723L93.9Very high89.3Confident34 Ų3455.7 Ų55.718%0.17829%0.286CS..EExtended strand (participates in β ladder)trans-123.6126.5178.6-72.7122.9000109I721 I736 V737 V738 V805 L819 F821I721-L723 HydrophobicContact CG2-CD1 3.94Å; I721-L723 HydrophobicContact CG2-CG 4.36Å; L723-I736 HydrophobicContact CD2-CD1 4.16Å; L723-V737 WeakPolarHBondContact CA-O 3.41Å; L723-V738 HydrophobicContact CD2-CG1 4.29Å; L723-V738 HydrophobicContact CD2-CG2 3.95Å; L723-V738 HydrophobicContact CG-CG1 4.48Å; L723-V805 HydrophobicContact CD1-CB 4.42Å; L723-V805 HydrophobicContact CD1-CG1 4.23Å; L723-V805 HydrophobicContact CD1-CG2 4.21Å; L723-V805 HydrophobicContact CD2-CG1 4.46Å; L723-V805 HydrophobicContact CD2-CG2 3.83Å; L723-L819 HydrophobicContact CD1-CD1 4.02Å; L723-F821 HydrophobicContact CB-CD2 3.66Å; L723-F821 HydrophobicContact CB-CE2 3.64Å; L723-F821 HydrophobicContact CB-CG 4.38Å; L723-F821 HydrophobicContact CB-CZ 4.35Å; L723-F821 HydrophobicContact CD1-CD2 4.49Å; L723-F821 HydrophobicContact CG-CD2 4.47Å
724E93Very high89Confident126 Ų12655.5 Ų55.559%0.58929%0.285SS*.EExtended strand (participates in β ladder)trans-128.4125.6178.7-175.6-178.8174.600108.6I736 V737E724-I736 CarbonylContact O-C 3.5Å; E724-I736 WeakPolarHBondContact O-CA 3.34Å; E724-V737 PolarHBondContact N-O 2.91Å; E724-V737 PolarHBondContact O-N 3.43Å
725Q91.4Very high88.8Confident35 Ų3555 Ų5516%0.16428%0.28CS..EExtended strand (participates in β ladder)trans-85.7127.4170.8179.3172.2-17.800109.3I736 F821 Y824Q725-I736 HydrophobicContact CB-CG2 4.2Å; Q725-I736 HydrophobicContact CG-CG2 4.29Å; Q725-F821 HydrophobicContact CB-CE1 4.32Å; Q725-F821 HydrophobicContact CB-CZ 4.21Å; Q725-Y824 PolarHBondContact NE2-O 3.5Å
726L89.3Confident88.8Confident33 Ų3354 Ų5417%0.17328%0.276CS..EExtended strand (participates in β ladder)trans-78.4153.6177.2-64.9-180000111R728 E735 V737L726-R728 PolarHBondContact O-N 3.4Å; L726-E735 HydrophobicContact CB-CB 4.46Å; L726-E735 HydrophobicContact CD1-CG 4.03Å; L726-E735 PolarHBondContact N-O 2.82Å; L726-V737 HydrophobicContact CD1-CG2 3.7Å; L726-V737 HydrophobicContact CD2-CG2 4.04Å; L726-V737 HydrophobicContact CG-CG2 3.84Å
727P80.8Confident88.8Confident121 Ų12155 Ų5579%0.78628%0.282SS*.EExtended strand (participates in β ladder)trans-69.114.2177.229.5-36.5000114.4
728R75.2Confident88.8Confident191 Ų19154.9 Ų54.972%0.72128%0.281SS*.EExtended strand (participates in β ladder)trans-100.394168.9-77.1-176.4170-175.9-3.7109.4L726 E735L726-R728 PolarHBondContact O-N 3.4Å; R728-E735 HydrophobicContact CB-CB 4.43Å; R728-E735 PolarHBondContact O-N 3.4Å; R728-E735 VanDerWaalsContact O-N 3.1Å
729Y76.2Confident88.9Confident114 Ų11456.5 Ų56.545%0.44729%0.288SS..EExtended strand (participates in β ladder)trans-141.6144.2171.752.8-95.4000110.8T733Y729-T733 WeakPolarHBondContact CA-O 3.31Å
730S80.9Confident88.9Confident38 Ų3855.7 Ų55.727%0.26629%0.285SS..  trans-111.6-172.5179.375.80000110.1T732 T733 Y825 S826S730-T732 PolarHBondContact O-N 2.72Å; S730-T732 PolarHBondContact OG-N 3.05Å; S730-T732 VanDerWaalsContact OG-N 3.14Å; S730-T732 PolarHBondContact OG-OG1 2.81Å; S730-T733 PolarHBondContact N-O 3.05Å; S730-T733 PolarHBondContact OG-N 3.07Å; S730-T733 PolarHBondContact OG-O 3.06Å; S730-T733 PolarHBondContact OG-OG1 3.24Å; S730-Y825 WeakPolarHBondContact O-CB 3.43Å; S730-S826 WeakPolarHBondContact CA-OG 3.48Å; S730-S826 PolarHBondContact O-N 2.95Å; S730-S826 PolarHBondContact O-OG 3.48Å
731S77.8Confident88.9Confident48 Ų4854.7 Ų54.734%0.33628%0.281SS..SBendtrans-75-10.9173.455.30000113.3K796 S826S731-K796 WeakPolarHBondContact O-CD 3.19Å; S731-K796 PolarHBondContact O-NZ 3.03Å; S731-S826 PolarHBondContact N-OG 2.67Å; S731-S826 VanDerWaalsContact N-OG 3.14Å
732T82.4Confident88.8Confident87 Ų8754.3 Ų54.353%0.53428%0.279SS..SBendtrans-125.6-21.7-17456.80000114.7S730 K796S730-T732 PolarHBondContact O-N 2.72Å; S730-T732 PolarHBondContact OG-N 3.05Å; S730-T732 VanDerWaalsContact OG-N 3.14Å; S730-T732 PolarHBondContact OG-OG1 2.81Å; T732-K796 WeakPolarHBondContact O-CB 3.44Å; T732-K796 PolarHBondContact O-N 3.09Å
733T87.1Confident88.8Confident62 Ų6256.5 Ų56.538%0.3829%0.287SS..EExtended strand (participates in β ladder)trans-144152.5-175.2550000112.1Y729 S730 V794Y729-T733 WeakPolarHBondContact CA-O 3.31Å; S730-T733 PolarHBondContact N-O 3.05Å; S730-T733 PolarHBondContact OG-N 3.07Å; S730-T733 PolarHBondContact OG-O 3.06Å; S730-T733 PolarHBondContact OG-OG1 3.24Å; T733-V794 CarbonylContact C-O 3.56Å; T733-V794 WeakPolarHBondContact CA-O 3.5Å
734A88.2Confident88.7Confident0 Ų055.1 Ų55.10%028%0.279CS..EExtended strand (participates in β ladder)trans-142.3135.2174.500000111.4V794 V823 Y825A734-V794 PolarHBondContact N-O 3.44Å; A734-V794 PolarHBondContact O-N 3.46Å; A734-V823 HydrophobicContact CB-CG1 3.49Å; A734-V823 VanDerWaalsContact CB-CG1 3.49Å; A734-Y825 HydrophobicContact CB-CD1 3.97Å; A734-Y825 HydrophobicContact CB-CE1 3.67Å
735E91.3Very high88.7Confident23 Ų2351.9 Ų51.911%0.10726%0.264CS..EExtended strand (participates in β ladder)trans-88.8120.2-179.6-167.2-176-177.600110.8L726 R728 K791L726-E735 HydrophobicContact CB-CB 4.46Å; L726-E735 HydrophobicContact CD1-CG 4.03Å; L726-E735 PolarHBondContact N-O 2.82Å; R728-E735 HydrophobicContact CB-CB 4.43Å; R728-E735 PolarHBondContact O-N 3.4Å; R728-E735 VanDerWaalsContact O-N 3.1Å; E735-K791 VanDerWaalsContact OE1-CD 3.24Å; E735-K791 WeakPolarHBondContact OE1-CD 3.49Å; E735-K791 WeakPolarHBondContact OE1-CE 3.49Å; E735-K791 WeakPolarHBondContact OE1-CG 3.39Å; E735-K791 IonicContact OE1-NZ 2.64Å; E735-K791 PolarHBondContact OE1-NZ 2.89Å; E735-K791 IonicContact OE2-NZ 2.77Å
736I93.2Very high88.6Confident0 Ų053.8 Ų53.80%029%0.286CS..EExtended strand (participates in β ladder)trans-112.5149.5172.770.8173.6000111.6L723 E724 Q725 V738 K791 V792 V794 I803 F821L723-I736 HydrophobicContact CD2-CD1 4.16Å; E724-I736 CarbonylContact O-C 3.5Å; E724-I736 WeakPolarHBondContact O-CA 3.34Å; Q725-I736 HydrophobicContact CB-CG2 4.2Å; Q725-I736 HydrophobicContact CG-CG2 4.29Å; I736-V738 HydrophobicContact CD1-CG2 4.1Å; I736-V738 HydrophobicContact CG1-CG2 4.31Å; I736-K791 CarbonylContact O-C 3.59Å; I736-K791 WeakPolarHBondContact O-CA 3.31Å; I736-V792 HydrophobicContact CG1-CB 3.94Å; I736-V792 WeakPolarHBondContact CG1-O 3.25Å; I736-V792 PolarHBondContact N-O 3.31Å; I736-V792 PolarHBondContact O-N 3.19Å; I736-V794 HydrophobicContact CD1-CG2 3.74Å; I736-V794 HydrophobicContact CG1-CG2 3.86Å; I736-V794 HydrophobicContact CG2-CG2 4.04Å; I736-I803 HydrophobicContact CD1-CD1 3.54Å; I736-F821 HydrophobicContact CG2-CE1 4.31Å
737V94.4Very high88.7Confident23 Ų2356.2 Ų56.214%0.13930%0.296CS..EExtended strand (participates in β ladder)trans-105.5124.7169.1175.70000108.5L723 E724 L726 T789 K791L723-V737 WeakPolarHBondContact CA-O 3.41Å; E724-V737 PolarHBondContact N-O 2.91Å; E724-V737 PolarHBondContact O-N 3.43Å; L726-V737 HydrophobicContact CD1-CG2 3.7Å; L726-V737 HydrophobicContact CD2-CG2 4.04Å; L726-V737 HydrophobicContact CG-CG2 3.84Å; V737-T789 HydrophobicContact CG1-CG2 3.45Å; V737-T789 VanDerWaalsContact CG1-CG2 3.45Å; V737-K791 HydrophobicContact CG2-CG 3.94Å
738V95.1Very high89.1Confident0 Ų050.8 Ų50.80%026%0.261CS..EExtended strand (participates in β ladder)trans-108.2121.2173.6-1670000108.3I721 L723 I736 L762 I764 T789 K790 V792I721-V738 HydrophobicContact CG2-CG1 4.14Å; L723-V738 HydrophobicContact CD2-CG1 4.29Å; L723-V738 HydrophobicContact CD2-CG2 3.95Å; L723-V738 HydrophobicContact CG-CG1 4.48Å; I736-V738 HydrophobicContact CD1-CG2 4.1Å; I736-V738 HydrophobicContact CG1-CG2 4.31Å; V738-L762 HydrophobicContact CG1-CD2 4.02Å; V738-I764 HydrophobicContact CG2-CD1 3.8Å; V738-T789 WeakPolarHBondContact O-CA 3.39Å; V738-K790 PolarHBondContact N-O 3.25Å; V738-K790 PolarHBondContact O-N 3.08Å; V738-V792 HydrophobicContact CG2-CG2 4.09Å
739K95.4Very high89.7Confident85 Ų8547.3 Ų47.337%0.3726%0.256SS..EExtended strand (participates in β ladder)trans-117.5115.6176.1179.8179.2177.6-172.90110.6I721 N722 T741 S787 W788 T789I721-K739 WeakPolarHBondContact CA-O 3.32Å; N722-K739 PolarHBondContact N-O 3.35Å; N722-K739 PolarHBondContact O-N 3.02Å; K739-T741 WeakPolarHBondContact CE-OG1 3.39Å; K739-S787 WeakPolarHBondContact CE-OG 3.42Å; K739-W788 CarbonylContact C-O 3.57Å; K739-W788 WeakPolarHBondContact CA-O 3.38Å; K739-T789 HydrophobicContact CB-CG2 4.38Å
740V96.1Very high90.3Very high0 Ų046.5 Ų46.50%027%0.267CS..EExtended strand (participates in β ladder)trans-98.6125.5172.3-177.40000108.6D720 L762 L777 S787 W788 L807D720-V740 CarbonylContact O-C 3.58Å; D720-V740 VanDerWaalsContact O-CA 3.31Å; D720-V740 WeakPolarHBondContact O-CA 3.46Å; V740-L762 HydrophobicContact CG2-CD2 4.35Å; V740-L777 HydrophobicContact CB-CD1 4.11Å; V740-L777 HydrophobicContact CG1-CD1 4.21Å; V740-L777 HydrophobicContact CG2-CD1 3.97Å; V740-S787 CarbonylContact O-C 3.51Å; V740-S787 WeakPolarHBondContact O-CA 3.37Å; V740-S787 VanDerWaalsContact O-CB 3.28Å; V740-S787 WeakPolarHBondContact O-CB 3.35Å; V740-W788 HydrophobicContact CG2-CE3 4.22Å; V740-W788 PolarHBondContact N-O 3.03Å; V740-W788 PolarHBondContact O-N 3.23Å; V740-L807 HydrophobicContact CG1-CD2 4Å
741T94.7Very high90.7Very high32 Ų3250.4 Ų50.420%0.19628%0.276CS..EExtended strand (participates in β ladder)trans-121.2144.1-176.5-52.20000110.6Y719 D720 K739Y719-T741 CarbonylContact C-O 3.47Å; Y719-T741 WeakPolarHBondContact CA-O 3.27Å; D720-T741 PolarHBondContact N-O 2.99Å; D720-T741 PolarHBondContact O-N 2.87Å; K739-T741 WeakPolarHBondContact CE-OG1 3.39Å
742L94.3Very high91.2Very high6 Ų652.5 Ų52.53%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-103.196.5178.4-17662.8000109.8P717 K718 Y719 N744 Q745 L748 L782 L783 G786P717-L742 HydrophobicContact CB-CD1 4.13Å; K718-L742 CarbonylContact O-C 3.58Å; Y719-L742 HydrophobicContact CD1-CD1 4.13Å; Y719-L742 HydrophobicContact CE1-CD1 4.01Å; L742-N744 VanDerWaalsContact C-N 3.33Å; L742-N744 PolarHBondContact O-N 3Å; L742-Q745 HydrophobicContact CD2-CB 4.47Å; L742-Q745 HydrophobicContact CG-CB 4.48Å; L742-Q745 PolarHBondContact O-N 2.83Å; L742-L748 HydrophobicContact CD1-CD1 3.7Å; L742-L748 HydrophobicContact CD2-CD1 3.84Å; L742-L748 HydrophobicContact CG-CD1 3.9Å; L742-L782 HydrophobicContact CB-CB 4.33Å; L742-L782 HydrophobicContact CD2-CB 4.07Å; L742-L783 HydrophobicContact CD2-CD2 3.61Å; L742-L783 HydrophobicContact CD2-CG 3.88Å; L742-G786 PolarHBondContact N-O 3.28Å
743Q93.4Very high91.6Very high129 Ų12950.2 Ų50.260%0.60326%0.262SS*.THydrogen-bonded Turntrans-62.7-34.8-167.6-65.5-173-17.900113.9K718 D720K718-Q743 HydrophobicContact CB-CB 4.26Å; K718-Q743 PolarHBondContact O-N 2.95Å; D720-Q743 HydrophobicContact CB-CG 4.01Å
744N93.4Very high91.6Very high5 Ų547.6 Ų47.63%0.02725%0.247CC..THydrogen-bonded Turntrans-105.233.4-178.665.4-33.1000113.4V714 L716 K718 L742 A746 Q747 L748V714-N744 PolarHBondContact O-ND2 2.76Å; L716-N744 PolarHBondContact O-ND2 2.72Å; K718-N744 WeakPolarHBondContact CB-OD1 3.28Å; K718-N744 HydrophobicContact CD-CB 4.22Å; K718-N744 PolarHBondContact N-OD1 3.27Å; L742-N744 VanDerWaalsContact C-N 3.33Å; L742-N744 PolarHBondContact O-N 3Å; N744-A746 PolarHBondContact O-N 3.5Å; N744-Q747 VanDerWaalsContact C-OE1 3.3Å; N744-Q747 HydrophobicContact CB-CB 4.46Å; N744-Q747 PolarHBondContact O-N 3.05Å; N744-Q747 VanDerWaalsContact O-N 3.16Å; N744-Q747 PolarHBondContact O-OE1 3.5Å; N744-L748 WeakPolarHBondContact O-CG 3.31Å; N744-L748 PolarHBondContact O-N 3.25Å; N744-L748 VanDerWaalsContact O-N 3.07Å; N744-L748 WeakPolarHBondContact OD1-CD1 3.37Å
745Q92.1Very high91.5Very high57 Ų5749.4 Ų49.427%0.26626%0.258SS..Hα-helixtrans-49-43.5177.9-174.3-172.68.900112.6L742 Q747 L748 L749 L783L742-Q745 HydrophobicContact CD2-CB 4.47Å; L742-Q745 HydrophobicContact CG-CB 4.48Å; L742-Q745 PolarHBondContact O-N 2.83Å; Q745-Q747 PolarHBondContact O-N 2.79Å; Q745-L748 PolarHBondContact O-N 2.74Å; Q745-L749 HydrophobicContact CG-CD1 4.24Å; Q745-L749 WeakPolarHBondContact O-CG 3.31Å; Q745-L749 PolarHBondContact O-N 2.95Å; Q745-L783 HydrophobicContact CG-CD2 4.43Å; Q745-L783 PolarHBondContact NE2-O 3.15Å
746A89.4Confident91.1Very high75 Ų7553.3 Ų53.362%0.6228%0.28SS*.Hα-helixtrans-63-40.8-17800000113.1N744N744-A746 PolarHBondContact O-N 3.5Å
747Q90.4Very high90.6Very high84 Ų8457 Ų5739%0.39330%0.297SS..Hα-helixtrans-69.1-41175.9-64.280.9-300111.2V714 H715 N744 Q745 L749 S750 R751V714-Q747 HydrophobicContact CG1-CG 4.32Å; H715-Q747 PolarHBondContact CD2-O 3.33Å; N744-Q747 VanDerWaalsContact C-OE1 3.3Å; N744-Q747 HydrophobicContact CB-CB 4.46Å; N744-Q747 PolarHBondContact O-N 3.05Å; N744-Q747 VanDerWaalsContact O-N 3.16Å; N744-Q747 PolarHBondContact O-OE1 3.5Å; Q745-Q747 PolarHBondContact O-N 2.79Å; Q747-L749 PolarHBondContact O-N 3.3Å; Q747-S750 PolarHBondContact O-N 2.98Å; Q747-S750 VanDerWaalsContact O-N 3.08Å; Q747-S750 PolarHBondContact O-OG 3.15Å; Q747-R751 PolarHBondContact O-N 3.07Å; Q747-R751 VanDerWaalsContact O-N 3.12Å
748L89.8Confident90.5Very high7 Ų756 Ų564%0.03729%0.291CS..Hα-helixtrans-71-17.8-178.8-64167.3000113.7H715 L742 N744 Q745 R751 R752 L783H715-L748 WeakPolarHBondContact O-CD2 3.29Å; L742-L748 HydrophobicContact CD1-CD1 3.7Å; L742-L748 HydrophobicContact CD2-CD1 3.84Å; L742-L748 HydrophobicContact CG-CD1 3.9Å; N744-L748 WeakPolarHBondContact O-CG 3.31Å; N744-L748 PolarHBondContact O-N 3.25Å; N744-L748 VanDerWaalsContact O-N 3.07Å; N744-L748 WeakPolarHBondContact OD1-CD1 3.37Å; Q745-L748 PolarHBondContact O-N 2.74Å; L748-R751 WeakPolarHBondContact CA-O 3.16Å; L748-R752 HydrophobicContact CB-CG 4.28Å; L748-R752 HydrophobicContact CD2-CG 4.17Å; L748-R752 VanDerWaalsContact O-CG 3.22Å; L748-R752 WeakPolarHBondContact O-CG 3.45Å; L748-L783 HydrophobicContact CB-CD2 3.5Å; L748-L783 HydrophobicContact CD1-CD2 4.27Å
749L88Confident90.4Very high118 Ų11857.4 Ų57.462%0.61830%0.296SS*.THydrogen-bonded Turntrans-76.5-21.8170.1-72.8169.7000112.9Q745 Q747Q745-L749 HydrophobicContact CG-CD1 4.24Å; Q745-L749 WeakPolarHBondContact O-CG 3.31Å; Q745-L749 PolarHBondContact O-N 2.95Å; Q747-L749 PolarHBondContact O-N 3.3Å
750S88.9Confident90.4Very high97 Ų9753.3 Ų53.368%0.67828%0.279SS*.THydrogen-bonded Turntrans-91.8-39.517455.50000113.6Q747Q747-S750 PolarHBondContact O-N 2.98Å; Q747-S750 VanDerWaalsContact O-N 3.08Å; Q747-S750 PolarHBondContact O-OG 3.15Å
751R89Confident90.4Very high121 Ų12153.5 Ų53.546%0.45728%0.28SS..  trans-155.4145.9179.1-176.6173.8-179.9-178.1-3.5110.3E711 H715 Q747 L748E711-R751 IonicContact OE1-CZ 2.68Å; E711-R751 IonicContact OE1-NH1 3.09Å; E711-R751 PolarHBondContact OE1-NH1 3.42Å; E711-R751 IonicContact OE2-CZ 3.29Å; E711-R751 IonicContact OE2-NH1 2.74Å; E711-R751 PolarHBondContact OE2-NH1 3.48Å; H715-R751 PolarHBondContact CD2-O 2.77Å; Q747-R751 PolarHBondContact O-N 3.07Å; Q747-R751 VanDerWaalsContact O-N 3.12Å; L748-R751 WeakPolarHBondContact CA-O 3.16Å
752R89.4Confident90.5Very high91 Ų9152 Ų5234%0.34327%0.271SS..  trans-124.9142.5174.7-66178.4-72.8166.90.5110.5L748 D756L748-R752 HydrophobicContact CB-CG 4.28Å; L748-R752 HydrophobicContact CD2-CG 4.17Å; L748-R752 VanDerWaalsContact O-CG 3.22Å; L748-R752 WeakPolarHBondContact O-CG 3.45Å; R752-D756 IonicContact CZ-OD1 2.7Å; R752-D756 IonicContact CZ-OD2 2.78Å; R752-D756 IonicContact NH1-OD1 2.59Å; R752-D756 IonicContact NH1-OD2 2.86Å; R752-D756 PolarHBondContact NH1-OD2 2.77Å; R752-D756 IonicContact NH2-OD1 3.73Å; R752-D756 PolarHBondContact NH2-OD1 2.93Å; R752-D756 IonicContact NH2-OD2 3.75Å; R752-D756 PolarHBondContact NH2-OD2 3.36Å
753T90.3Very high90.5Very high40 Ų4051.7 Ų51.725%0.24527%0.269CS..SBendtrans-95.8-29.7168.3-58.50000111.3S712 H715 L716 Y812S712-T753 WeakPolarHBondContact CA-OG1 3.39Å; S712-T753 VanDerWaalsContact O-CB 3.3Å; S712-T753 WeakPolarHBondContact O-CB 3.35Å; S712-T753 PolarHBondContact O-OG1 3.2Å; H715-T753 WeakPolarHBondContact CB-OG1 3.48Å; H715-T753 PolarHBondContact O-N 2.83Å; L716-T753 HydrophobicContact CD2-CG2 3.82Å; L716-T753 HydrophobicContact CG-CG2 4.31Å; T753-Y812 PolarHBondContact O-OH 3.34Å; T753-Y812 VanDerWaalsContact O-OH 3.13Å
754A87.7Confident90.6Very high6 Ų645.5 Ų45.55%0.0524%0.24CC..SBendtrans-75.6139.6171.900000111.2P717 H758 Y812P717-A754 HydrophobicContact CG-CB 3.82Å; A754-H758 HydrophobicContact CB-CB 4.14Å; A754-Y812 HydrophobicContact CB-CE2 3.77Å
755P85.8Confident90.6Very high38 Ų3845.3 Ų45.325%0.24724%0.239CC..  trans-70.2156.6-18029.7-35.8000112.1H757 H758P755-H757 WeakPolarHBondContact CG-NE2 3.23Å; P755-H757 PolarHBondContact O-N 3.35Å; P755-H758 HydrophobicContact CG-CB 4.35Å; P755-H758 WeakPolarHBondContact O-CB 3.21Å; P755-H758 PolarHBondContact O-N 3.13Å
756D82.2Confident90.5Very high106 Ų10643.2 Ų43.257%0.56723%0.23SC*.THydrogen-bonded Turntrans-59.2-22.1-177.9-88.575.5000115.2R752R752-D756 IonicContact CZ-OD1 2.7Å; R752-D756 IonicContact CZ-OD2 2.78Å; R752-D756 IonicContact NH1-OD1 2.59Å; R752-D756 IonicContact NH1-OD2 2.86Å; R752-D756 PolarHBondContact NH1-OD2 2.77Å; R752-D756 IonicContact NH2-OD1 3.73Å; R752-D756 PolarHBondContact NH2-OD1 2.93Å; R752-D756 IonicContact NH2-OD2 3.75Å; R752-D756 PolarHBondContact NH2-OD2 3.36Å
757H83.3Confident90.4Very high78 Ų7841.7 Ų41.736%0.36121%0.214SC..THydrogen-bonded Turntrans-86.2-0.4174.958.6-115.8000114.2D102 P755D102-H757 IonicContact OD1-ND1 2.79Å; D102-H757 PolarHBondContact OD1-ND1 3.01Å; D102-H757 IonicContact OD2-CE1 2.99Å; D102-H757 PolarHBondContact OD2-CE1 3.12Å; D102-H757 VanDerWaalsContact OD2-CE1 3.23Å; D102-H757 IonicContact OD2-ND1 3.86Å; D102-H757 PolarHBondContact OD2-ND1 3.35Å; P755-H757 WeakPolarHBondContact CG-NE2 3.23Å; P755-H757 PolarHBondContact O-N 3.35Å
758H91.6Very high90.3Very high0 Ų040 Ų400%021%0.207CC..  trans-65.3142.7177.3-178.1-117.5000112.7Y719 A754 P755 D779 S809 S810Y719-H758 PolarHBondContact OH-CE1 3.44Å; Y719-H758 PolarHBondContact OH-ND1 2.95Å; A754-H758 HydrophobicContact CB-CB 4.14Å; P755-H758 HydrophobicContact CG-CB 4.35Å; P755-H758 WeakPolarHBondContact O-CB 3.21Å; P755-H758 PolarHBondContact O-N 3.13Å; H758-D779 IonicContact CE1-OD2 2.75Å; H758-D779 IonicContact CG-OD2 2.69Å; H758-D779 IonicContact ND1-OD1 3.21Å; H758-D779 IonicContact ND1-OD2 3.9Å; H758-D779 PolarHBondContact ND1-OD2 3.09Å; H758-D779 PolarHBondContact O-N 2.64Å; H758-S809 PolarHBondContact NE2-OG 3.04Å; H758-S810 PolarHBondContact CD2-OG 2.96Å
759Y93.3Very high90.3Very high30 Ų3041.9 Ų41.912%0.11822%0.217CC..EExtended strand (participates in β ladder)trans-152.3158.2175.370-88.6000111.1K623 S761 K776 L777 S810K623-Y759 PolarHBondContact NZ-OH 3.24Å; Y759-S761 WeakPolarHBondContact CE2-OG 3.29Å; Y759-K776 HydrophobicContact CD2-CB 3.96Å; Y759-K776 HydrophobicContact CD2-CD 4.4Å; Y759-K776 HydrophobicContact CD2-CG 4.09Å; Y759-K776 HydrophobicContact CE2-CB 4.16Å; Y759-K776 HydrophobicContact CE2-CD 3.77Å; Y759-K776 HydrophobicContact CE2-CG 3.76Å; Y759-L777 CarbonylContact C-O 3.58Å; Y759-L777 VanDerWaalsContact CA-O 3.3Å; Y759-L777 WeakPolarHBondContact CA-O 3.26Å; Y759-L777 VanDerWaalsContact CB-O 3.29Å; Y759-L777 WeakPolarHBondContact CB-O 3.3Å; Y759-S810 PolarHBondContact N-OG 3.41Å; Y759-S810 VanDerWaalsContact O-CB 3.27Å; Y759-S810 WeakPolarHBondContact O-CB 3.31Å; Y759-S810 PolarHBondContact O-N 3.31Å; Y759-S810 PolarHBondContact O-OG 2.77Å; Y759-S810 VanDerWaalsContact O-OG 3.14Å
760V95.8Very high90.4Very high0 Ų041.5 Ų41.50%021%0.212CC..EExtended strand (participates in β ladder)trans-106.1144.2168.7-74.30000111.1Y719 L777 L782 L807 I808Y719-V760 HydrophobicContact CD1-CG2 4.35Å; Y719-V760 HydrophobicContact CD2-CG1 3.98Å; Y719-V760 HydrophobicContact CE1-CG1 4.11Å; Y719-V760 HydrophobicContact CE1-CG2 3.95Å; Y719-V760 HydrophobicContact CE2-CG1 3.38Å; Y719-V760 VanDerWaalsContact CZ-CG1 3.44Å; V760-L777 HydrophobicContact CG2-CB 3.94Å; V760-L777 PolarHBondContact N-O 3Å; V760-L777 PolarHBondContact O-N 3.12Å; V760-L782 HydrophobicContact CG2-CD1 4.47Å; V760-L807 HydrophobicContact CB-CD1 3.77Å; V760-L807 HydrophobicContact CB-CD2 4.47Å; V760-L807 HydrophobicContact CB-CG 3.88Å; V760-L807 HydrophobicContact CG1-CG 4.29Å; V760-L807 HydrophobicContact CG2-CD1 3.65Å; V760-L807 HydrophobicContact CG2-CD2 4.28Å; V760-L807 HydrophobicContact CG2-CG 4.06Å; V760-I808 CarbonylContact C-O 3.56Å; V760-I808 WeakPolarHBondContact CA-O 3.26Å
761S95.8Very high90.5Very high3 Ų339.6 Ų39.62%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-103.8107.9176.1-52.40000108.9Y759 H775 L807 I808Y759-S761 WeakPolarHBondContact CE2-OG 3.29Å; S761-H775 WeakPolarHBondContact CA-O 3.35Å; S761-L807 WeakPolarHBondContact O-CA 3.43Å; S761-I808 PolarHBondContact N-O 2.9Å; S761-I808 PolarHBondContact O-N 3.47Å
762L96.2Very high90.5Very high0 Ų035.5 Ų35.50%018%0.184CC..EExtended strand (participates in β ladder)trans-81117.3169.4175.664000108.3V738 V740 I764 L774 H775 W788 V805 N806 L807V738-L762 HydrophobicContact CG1-CD2 4.02Å; V740-L762 HydrophobicContact CG2-CD2 4.35Å; L762-I764 HydrophobicContact CD1-CG1 4.4Å; L762-L774 CarbonylContact O-C 3.52Å; L762-L774 WeakPolarHBondContact O-CA 3.29Å; L762-H775 PolarHBondContact N-O 2.86Å; L762-H775 PolarHBondContact O-N 2.87Å; L762-W788 HydrophobicContact CD2-CH2 3.91Å; L762-W788 HydrophobicContact CD2-CZ3 3.53Å; L762-V805 HydrophobicContact CD1-CG1 4Å; L762-N806 CarbonylContact C-O 3.57Å; L762-N806 WeakPolarHBondContact CA-O 3.26Å; L762-L807 HydrophobicContact CB-CD1 3.87Å; L762-L807 HydrophobicContact CD1-CD1 4.4Å
763I95.1Very high90.6Very high0 Ų031.8 Ų31.80%017%0.171CC..EExtended strand (participates in β ladder)trans-127.1130.3173.7-168.5177.8000110.1F637 A640 L641 L644 V771 I773 L774 N806F637-I763 HydrophobicContact CD2-CD1 3.86Å; F637-I763 HydrophobicContact CD2-CG1 3.95Å; F637-I763 HydrophobicContact CE2-CD1 4.18Å; F637-I763 HydrophobicContact CE2-CG1 4Å; F637-I763 HydrophobicContact CE2-CG2 4.27Å; A640-I763 HydrophobicContact CB-CD1 3.82Å; L641-I763 HydrophobicContact CD1-CG2 3.85Å; L644-I763 HydrophobicContact CD1-CD1 4.37Å; L644-I763 HydrophobicContact CD1-CG2 4.43Å; I763-V771 HydrophobicContact CD1-CG2 4.36Å; I763-V771 HydrophobicContact CG1-CG1 4.19Å; I763-I773 WeakPolarHBondContact CA-O 3.44Å; I763-L774 HydrophobicContact CB-CD1 3.76Å; I763-L774 HydrophobicContact CD1-CD1 4.25Å; I763-L774 HydrophobicContact CG1-CD1 4Å; I763-N806 HydrophobicContact CG2-CB 3.85Å; I763-N806 PolarHBondContact N-O 2.94Å; I763-N806 PolarHBondContact O-N 3.25Å
764I94.6Very high90.7Very high0 Ų032.3 Ų32.30%017%0.172CC..EExtended strand (participates in β ladder)trans-120.2129.8175.9-56.8-174.5000108.6V738 L762 V772 I773 I803 S804 V805V738-I764 HydrophobicContact CG2-CD1 3.8Å; L762-I764 HydrophobicContact CD1-CG1 4.4Å; I764-V772 HydrophobicContact CB-CB 4.45Å; I764-V772 HydrophobicContact CG2-CB 4.18Å; I764-V772 HydrophobicContact CG2-CG2 4.49Å; I764-V772 PolarHBondContact O-N 3.3Å; I764-I773 HydrophobicContact CB-CG2 3.68Å; I764-I773 HydrophobicContact CD1-CG2 3.66Å; I764-I773 HydrophobicContact CG1-CG2 3.67Å; I764-I773 PolarHBondContact N-O 2.92Å; I764-I773 PolarHBondContact O-N 3.33Å; I764-I803 HydrophobicContact CG2-CB 4.08Å; I764-I803 HydrophobicContact CG2-CD1 3.91Å; I764-I803 HydrophobicContact CG2-CG1 4.38Å; I764-S804 VanDerWaalsContact CA-O 3.31Å; I764-S804 WeakPolarHBondContact CA-O 3.44Å; I764-V805 HydrophobicContact CD1-CG1 4.12Å; I764-V805 HydrophobicContact CD1-CG2 3.97Å; I764-V805 HydrophobicContact CG1-CB 4.3Å; I764-V805 HydrophobicContact CG1-CG1 4.02Å; I764-V805 HydrophobicContact CG1-CG2 4.02Å; I764-V805 HydrophobicContact CG2-CG2 4.17Å
765G93Very high90.9Very high0 Ų035.3 Ų35.30%019%0.185CC..EExtended strand (participates in β ladder)trans-124.2153.2174.900000112.3F637 H770 I803 S804F637-G765 VanDerWaalsContact CD2-CA 3.42Å; F637-G765 VanDerWaalsContact CE2-N 3.31Å; G765-H770 VanDerWaalsContact CA-O 3.27Å; G765-H770 WeakPolarHBondContact CA-O 3.39Å; G765-I803 CarbonylContact O-C 3.57Å; G765-I803 VanDerWaalsContact O-CA 3.3Å; G765-I803 WeakPolarHBondContact O-CA 3.49Å; G765-I803 WeakPolarHBondContact O-CB 3.05Å; G765-S804 PolarHBondContact N-O 3.26Å; G765-S804 PolarHBondContact O-N 2.62Å
766N90.4Very high91.3Very high13 Ų1337.1 Ų37.17%0.0719%0.189CC..EExtended strand (participates in β ladder)trans-96.5172172.675.63.8000112.1E768 N769 H770 V772 A797 I803N766-E768 PolarHBondContact O-N 3.32Å; N766-E768 WeakPolarHBondContact OD1-CB 3.48Å; N766-E768 PolarHBondContact OD1-N 2.96Å; N766-N769 PolarHBondContact O-N 3.43Å; N766-N769 VanDerWaalsContact O-N 3.1Å; N766-N769 PolarHBondContact OD1-N 3.42Å; N766-H770 PolarHBondContact N-O 2.99Å; N766-H770 WeakPolarHBondContact OD1-CB 3.47Å; N766-H770 PolarHBondContact OD1-N 2.76Å; N766-H770 PolarHBondContact OD1-O 3.42Å; N766-V772 HydrophobicContact CB-CG2 4.11Å; N766-A797 HydrophobicContact CB-CB 4.3Å; N766-I803 HydrophobicContact CB-CG2 4.39Å
767S87.6Confident91.8Very high43 Ų4332.1 Ų32.130%0.30116%0.162SC..THydrogen-bonded Turntrans-60.9-10.6178.2640000115.4A797 G800S767-A797 VanDerWaalsContact OG-CB 3.26Å; S767-A797 WeakPolarHBondContact OG-CB 3.38Å; S767-G800 WeakPolarHBondContact CB-O 3.26Å; S767-G800 PolarHBondContact OG-N 2.82Å; S767-G800 PolarHBondContact OG-O 3.48Å
768E88.4Confident92.2Very high49 Ų4934.7 Ų34.723%0.22917%0.172CC..THydrogen-bonded Turntrans-92.5-0.8176.5-79.6169.9173.100114.3N766 H770 A797 S798 K799N766-E768 PolarHBondContact O-N 3.32Å; N766-E768 WeakPolarHBondContact OD1-CB 3.48Å; N766-E768 PolarHBondContact OD1-N 2.96Å; E768-H770 WeakPolarHBondContact CB-ND1 3.25Å; E768-H770 IonicContact OE2-CE1 3.67Å; E768-H770 IonicContact OE2-ND1 3.23Å; E768-H770 PolarHBondContact OE2-ND1 3.17Å; E768-A797 HydrophobicContact CB-CB 4.49Å; E768-A797 HydrophobicContact CG-CB 3.92Å; E768-S798 VanDerWaalsContact OE1-CB 3.31Å; E768-S798 WeakPolarHBondContact OE1-CB 3.47Å; E768-S798 PolarHBondContact OE1-N 3.41Å; E768-S798 PolarHBondContact OE1-OG 3.43Å; E768-K799 HydrophobicContact CG-CB 4.32Å; E768-K799 HydrophobicContact CG-CD 4.16Å; E768-K799 HydrophobicContact CG-CG 4.09Å
769N90.1Very high92Very high47 Ų4735.2 Ų35.225%0.25118%0.175SC..SBendtrans74.718.2-172.1-161.639.1000114.2G532 G636 F637 C638 N766G532-N769 PolarHBondContact O-ND2 3.28Å; G636-N769 CarbonylContact C-O 3.51Å; G636-N769 VanDerWaalsContact CA-O 3.3Å; G636-N769 WeakPolarHBondContact CA-O 3.3Å; F637-N769 PolarHBondContact N-O 2.8Å; F637-N769 PolarHBondContact N-OD1 2.9Å; C638-N769 VanDerWaalsContact CB-OD1 3.29Å; C638-N769 WeakPolarHBondContact CB-OD1 3.39Å; C638-N769 PolarHBondContact N-OD1 2.71Å; N766-N769 PolarHBondContact O-N 3.43Å; N766-N769 VanDerWaalsContact O-N 3.1Å; N766-N769 PolarHBondContact OD1-N 3.42Å
770H90Very high91.7Very high110 Ų11036.1 Ų36.151%0.50919%0.186SC..  trans-87.7138.6172.3-60.8120.8000111.2G765 N766 E768G765-H770 VanDerWaalsContact CA-O 3.27Å; G765-H770 WeakPolarHBondContact CA-O 3.39Å; N766-H770 PolarHBondContact N-O 2.99Å; N766-H770 WeakPolarHBondContact OD1-CB 3.47Å; N766-H770 PolarHBondContact OD1-N 2.76Å; N766-H770 PolarHBondContact OD1-O 3.42Å; E768-H770 WeakPolarHBondContact CB-ND1 3.25Å; E768-H770 IonicContact OE2-CE1 3.67Å; E768-H770 IonicContact OE2-ND1 3.23Å; E768-H770 PolarHBondContact OE2-ND1 3.17Å
771V90.8Very high91.3Very high57 Ų5740 Ų4035%0.34521%0.206SC..EExtended strand (participates in β ladder)trans-79119.9172.2-179.90000109.2F637 A640 I763 L774F637-V771 HydrophobicContact CB-CG2 3.86Å; F637-V771 HydrophobicContact CD2-CG2 4.42Å; A640-V771 HydrophobicContact CB-CG2 4.45Å; I763-V771 HydrophobicContact CD1-CG2 4.36Å; I763-V771 HydrophobicContact CG1-CG1 4.19Å; V771-L774 HydrophobicContact CG1-CB 4.23Å
772V89.6Confident90.9Very high34 Ų3439.9 Ų39.921%0.20621%0.205CC..EExtended strand (participates in β ladder)trans-85.7-41178.6-175.80000110.8I764 N766 V792 V794I764-V772 HydrophobicContact CB-CB 4.45Å; I764-V772 HydrophobicContact CG2-CB 4.18Å; I764-V772 HydrophobicContact CG2-CG2 4.49Å; I764-V772 PolarHBondContact O-N 3.3Å; N766-V772 HydrophobicContact CB-CG2 4.11Å; V772-V792 HydrophobicContact CG1-CG1 3.77Å; V772-V794 HydrophobicContact CG1-CG2 4.41Å
773I91Very high90.6Very high14 Ų1440.7 Ų40.77%0.07221%0.209CC..EExtended strand (participates in β ladder)trans-151.2143170.5178.1167.9000110.1I763 I764 K790 V792I763-I773 WeakPolarHBondContact CA-O 3.44Å; I764-I773 HydrophobicContact CB-CG2 3.68Å; I764-I773 HydrophobicContact CD1-CG2 3.66Å; I764-I773 HydrophobicContact CG1-CG2 3.67Å; I764-I773 PolarHBondContact N-O 2.92Å; I764-I773 PolarHBondContact O-N 3.33Å; I773-K790 HydrophobicContact CD1-CD 3.74Å; I773-V792 HydrophobicContact CB-CG1 4.24Å; I773-V792 HydrophobicContact CD1-CG2 3.92Å; I773-V792 HydrophobicContact CG2-CG1 3.94Å; I773-V792 HydrophobicContact CG2-CG2 4.15Å
774L92.1Very high90.2Very high51 Ų5149.5 Ų49.527%0.26725%0.248SC..EExtended strand (participates in β ladder)trans-126.1134.9162.1175.867.4000109T630 L644 L762 I763 V771T630-L774 VanDerWaalsContact CB-CD2 3.42Å; T630-L774 HydrophobicContact CG2-CD2 3.47Å; T630-L774 VanDerWaalsContact CG2-CD2 3.47Å; L644-L774 HydrophobicContact CD1-CD1 4.09Å; L762-L774 CarbonylContact O-C 3.52Å; L762-L774 WeakPolarHBondContact O-CA 3.29Å; I763-L774 HydrophobicContact CB-CD1 3.76Å; I763-L774 HydrophobicContact CD1-CD1 4.25Å; I763-L774 HydrophobicContact CG1-CD1 4Å; V771-L774 HydrophobicContact CG1-CB 4.23Å
775H93Very high89.7Confident68 Ų6852.6 Ų52.632%0.31527%0.269SS..EExtended strand (participates in β ladder)trans-149.9134.3177.9-156.260.5000112.3S761 L762 W788S761-H775 WeakPolarHBondContact CA-O 3.35Å; L762-H775 PolarHBondContact N-O 2.86Å; L762-H775 PolarHBondContact O-N 2.87Å; H775-W788 AromaticContact CD2-CE2 3.7Å; H775-W788 AromaticContact CD2-CH2 3.94Å; H775-W788 AromaticContact CD2-CZ2 3.23Å; H775-W788 WeakPolarHBondContact CD2-CZ2 3.5Å; H775-W788 AromaticContact CD2-NE1 3.98Å; H775-W788 AromaticContact CG-CZ2 3.99Å; H775-W788 AromaticContact NE2-CE2 3.9Å; H775-W788 AromaticContact NE2-CZ2 3.65Å; H775-W788 AromaticContact NE2-NE1 3.73Å
776K93.5Very high89.5Confident77 Ų7753.1 Ų53.134%0.33527%0.274SS..EExtended strand (participates in β ladder)trans-96.5112.4176-66.2-179.7-179.1168.10109.4E627 Y759E627-K776 IonicContact OE1-NZ 2.84Å; E627-K776 PolarHBondContact OE1-NZ 3.33Å; Y759-K776 HydrophobicContact CD2-CB 3.96Å; Y759-K776 HydrophobicContact CD2-CD 4.4Å; Y759-K776 HydrophobicContact CD2-CG 4.09Å; Y759-K776 HydrophobicContact CE2-CB 4.16Å; Y759-K776 HydrophobicContact CE2-CD 3.77Å; Y759-K776 HydrophobicContact CE2-CG 3.76Å
777L93.4Very high89.5Confident1 Ų154 Ų541%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-101.3109.9178.8-67.1170.8000109.9V740 Y759 V760 L782 W788V740-L777 HydrophobicContact CB-CD1 4.11Å; V740-L777 HydrophobicContact CG1-CD1 4.21Å; V740-L777 HydrophobicContact CG2-CD1 3.97Å; Y759-L777 CarbonylContact C-O 3.58Å; Y759-L777 VanDerWaalsContact CA-O 3.3Å; Y759-L777 WeakPolarHBondContact CA-O 3.26Å; Y759-L777 VanDerWaalsContact CB-O 3.29Å; Y759-L777 WeakPolarHBondContact CB-O 3.3Å; V760-L777 HydrophobicContact CG2-CB 3.94Å; V760-L777 PolarHBondContact N-O 3Å; V760-L777 PolarHBondContact O-N 3.12Å; L777-L782 HydrophobicContact CB-CD1 4.35Å; L777-W788 HydrophobicContact CD1-CD2 4.23Å; L777-W788 HydrophobicContact CD1-CE3 4.07Å; L777-W788 HydrophobicContact CD2-CB 4.09Å; L777-W788 HydrophobicContact CD2-CD2 3.61Å; L777-W788 HydrophobicContact CD2-CE3 4.27Å; L777-W788 HydrophobicContact CD2-CG 3.53Å; L777-W788 HydrophobicContact CD2-CZ2 4.38Å
778K91.3Very high89.9Confident132 Ų13253.6 Ų53.657%0.57427%0.274SS*.EExtended strand (participates in β ladder)trans-73.4142.9172-66.5-170.9176.4-170.70110.7S780 L781 L782K778-S780 PolarHBondContact O-N 3.37Å; K778-L781 WeakPolarHBondContact O-CB 3.25Å; K778-L781 PolarHBondContact O-N 2.86Å; K778-L782 PolarHBondContact O-N 3.29Å
779D87Confident90.2Very high10 Ų1055 Ų555%0.05329%0.286CS..Hα-helixtrans-60.6-35.4175-73.3-9.6000111.9P717 Y719 H758 L781 L782 L783P717-D779 WeakPolarHBondContact CG-OD2 3.49Å; Y719-D779 PolarHBondContact OH-OD1 3.13Å; Y719-D779 PolarHBondContact OH-OD2 3.19Å; H758-D779 IonicContact CE1-OD2 2.75Å; H758-D779 IonicContact CG-OD2 2.69Å; H758-D779 IonicContact ND1-OD1 3.21Å; H758-D779 IonicContact ND1-OD2 3.9Å; H758-D779 PolarHBondContact ND1-OD2 3.09Å; H758-D779 PolarHBondContact O-N 2.64Å; D779-L781 PolarHBondContact O-N 3.01Å; D779-L781 VanDerWaalsContact O-N 3.11Å; D779-L782 PolarHBondContact O-N 3.18Å; D779-L782 VanDerWaalsContact O-N 3.11Å; D779-L783 HydrophobicContact CB-CD1 4.36Å; D779-L783 VanDerWaalsContact O-CB 3.32Å; D779-L783 WeakPolarHBondContact O-CB 3.47Å; D779-L783 WeakPolarHBondContact O-CD1 3.49Å; D779-L783 WeakPolarHBondContact O-CG 3.39Å; D779-L783 PolarHBondContact O-N 3.27Å
780S85.9Confident90.4Very high49 Ų4957 Ų5734%0.34329%0.292SS..Hα-helixtrans-64.8-10.6175.352.60000115.1K778 K784K778-S780 PolarHBondContact O-N 3.37Å; S780-K784 WeakPolarHBondContact O-CG 3.49Å
781L87.9Confident90.5Very high82 Ų8257.3 Ų57.343%0.42929%0.292SS..Hα-helixtrans-89.5-49.8166.8-174.6150.5000110.4K778 D779 L783 K784 S785 W788K778-L781 WeakPolarHBondContact O-CB 3.25Å; K778-L781 PolarHBondContact O-N 2.86Å; D779-L781 PolarHBondContact O-N 3.01Å; D779-L781 VanDerWaalsContact O-N 3.11Å; L781-L783 VanDerWaalsContact C-N 3.27Å; L781-L783 PolarHBondContact O-N 3.18Å; L781-K784 PolarHBondContact O-N 2.95Å; L781-S785 PolarHBondContact O-N 3.45Å; L781-S785 PolarHBondContact O-OG 2.83Å; L781-W788 HydrophobicContact CD2-CB 4.46Å
782L88.4Confident90.6Very high0 Ų055.1 Ų55.10%028%0.279CS..Hα-helixtrans-62.1-32.8179.4-65.9172.1000112.7Y719 L742 V760 L777 K778 D779 K784 S785 G786 W788Y719-L782 HydrophobicContact CD1-CD1 4.1Å; Y719-L782 HydrophobicContact CE1-CD1 3.75Å; L742-L782 HydrophobicContact CB-CB 4.33Å; L742-L782 HydrophobicContact CD2-CB 4.07Å; V760-L782 HydrophobicContact CG2-CD1 4.47Å; L777-L782 HydrophobicContact CB-CD1 4.35Å; K778-L782 PolarHBondContact O-N 3.29Å; D779-L782 PolarHBondContact O-N 3.18Å; D779-L782 VanDerWaalsContact O-N 3.11Å; L782-K784 VanDerWaalsContact C-N 3.26Å; L782-K784 PolarHBondContact O-N 2.8Å; L782-S785 PolarHBondContact O-N 3.27Å; L782-G786 VanDerWaalsContact O-CA 3.27Å; L782-G786 WeakPolarHBondContact O-CA 3.4Å; L782-G786 PolarHBondContact O-N 2.95Å; L782-W788 HydrophobicContact CD2-CB 3.68Å
783L88.5Confident90.6Very high17 Ų1758.7 Ų58.79%0.08930%0.297CS..Hα-helixtrans-67.2-23.6174.9-72.8164.8000113.4L742 Q745 L748 D779 L781L742-L783 HydrophobicContact CD2-CD2 3.61Å; L742-L783 HydrophobicContact CD2-CG 3.88Å; Q745-L783 HydrophobicContact CG-CD2 4.43Å; Q745-L783 PolarHBondContact NE2-O 3.15Å; L748-L783 HydrophobicContact CB-CD2 3.5Å; L748-L783 HydrophobicContact CD1-CD2 4.27Å; D779-L783 HydrophobicContact CB-CD1 4.36Å; D779-L783 VanDerWaalsContact O-CB 3.32Å; D779-L783 WeakPolarHBondContact O-CB 3.47Å; D779-L783 WeakPolarHBondContact O-CD1 3.49Å; D779-L783 WeakPolarHBondContact O-CG 3.39Å; D779-L783 PolarHBondContact O-N 3.27Å; L781-L783 VanDerWaalsContact C-N 3.27Å; L781-L783 PolarHBondContact O-N 3.18Å
784K87.2Confident90.6Very high185 Ų18558.1 Ų58.180%0.80429%0.294SS*.Hα-helixtrans-85.5-33.4177.7-68.9-178.8179.8-172.70112.9S780 L781 L782S780-K784 WeakPolarHBondContact O-CG 3.49Å; L781-K784 PolarHBondContact O-N 2.95Å; L782-K784 VanDerWaalsContact C-N 3.26Å; L782-K784 PolarHBondContact O-N 2.8Å
785S85.3Confident90.3Very high66 Ų6658.8 Ų58.846%0.46230%0.301SS..Hα-helixtrans-111.6-9.1-174.361.90000115.1L781 L782 S787L781-S785 PolarHBondContact O-N 3.45Å; L781-S785 PolarHBondContact O-OG 2.83Å; L782-S785 PolarHBondContact O-N 3.27Å; S785-S787 WeakPolarHBondContact CB-O 3.41Å; S785-S787 PolarHBondContact O-N 2.96Å; S785-S787 PolarHBondContact OG-O 3.35Å
786G87.1Confident89.9Confident10 Ų1060 Ų6010%0.10331%0.306CS..SBendtrans69.5-31.6-174.300000114.6L742 L782L742-G786 PolarHBondContact N-O 3.28Å; L782-G786 VanDerWaalsContact O-CA 3.27Å; L782-G786 WeakPolarHBondContact O-CA 3.4Å; L782-G786 PolarHBondContact O-N 2.95Å
787S92.2Very high89.4Confident32 Ų3256.7 Ų56.722%0.22429%0.292CS..EExtended strand (participates in β ladder)trans-145.6159.6171.758.50000112.1K739 V740 S785K739-S787 WeakPolarHBondContact CE-OG 3.42Å; V740-S787 CarbonylContact O-C 3.51Å; V740-S787 WeakPolarHBondContact O-CA 3.37Å; V740-S787 VanDerWaalsContact O-CB 3.28Å; V740-S787 WeakPolarHBondContact O-CB 3.35Å; S785-S787 WeakPolarHBondContact CB-O 3.41Å; S785-S787 PolarHBondContact O-N 2.96Å; S785-S787 PolarHBondContact OG-O 3.35Å
788W95.1Very high88.7Confident35 Ų3561.5 Ų61.513%0.13333%0.326CS..EExtended strand (participates in β ladder)trans-120.9135.8169.6172.996.5000108.4K739 V740 L762 H775 L777 L781 L782 K790K739-W788 CarbonylContact C-O 3.57Å; K739-W788 WeakPolarHBondContact CA-O 3.38Å; V740-W788 HydrophobicContact CG2-CE3 4.22Å; V740-W788 PolarHBondContact N-O 3.03Å; V740-W788 PolarHBondContact O-N 3.23Å; L762-W788 HydrophobicContact CD2-CH2 3.91Å; L762-W788 HydrophobicContact CD2-CZ3 3.53Å; H775-W788 AromaticContact CD2-CE2 3.7Å; H775-W788 AromaticContact CD2-CH2 3.94Å; H775-W788 AromaticContact CD2-CZ2 3.23Å; H775-W788 WeakPolarHBondContact CD2-CZ2 3.5Å; H775-W788 AromaticContact CD2-NE1 3.98Å; H775-W788 AromaticContact CG-CZ2 3.99Å; H775-W788 AromaticContact NE2-CE2 3.9Å; H775-W788 AromaticContact NE2-CZ2 3.65Å; H775-W788 AromaticContact NE2-NE1 3.73Å; L777-W788 HydrophobicContact CD1-CD2 4.23Å; L777-W788 HydrophobicContact CD1-CE3 4.07Å; L777-W788 HydrophobicContact CD2-CB 4.09Å; L777-W788 HydrophobicContact CD2-CD2 3.61Å; L777-W788 HydrophobicContact CD2-CE3 4.27Å; L777-W788 HydrophobicContact CD2-CG 3.53Å; L777-W788 HydrophobicContact CD2-CZ2 4.38Å; L781-W788 HydrophobicContact CD2-CB 4.46Å; L782-W788 HydrophobicContact CD2-CB 3.68Å; W788-K790 HydrophobicContact CE3-CB 4.46Å; W788-K790 HydrophobicContact CH2-CB 3.35Å; W788-K790 HydrophobicContact CH2-CD 3.9Å; W788-K790 HydrophobicContact CH2-CG 4.15Å; W788-K790 HydrophobicContact CZ2-CB 3.53Å; W788-K790 HydrophobicContact CZ2-CD 3.77Å; W788-K790 HydrophobicContact CZ2-CG 4.23Å; W788-K790 HydrophobicContact CZ3-CB 3.83Å
789T94.6Very high88Confident79 Ų7962.6 Ų62.649%0.48533%0.331SS..EExtended strand (participates in β ladder)trans-131.8134.3-177.3-540000109.6V737 V738 K739V737-T789 HydrophobicContact CG1-CG2 3.45Å; V737-T789 VanDerWaalsContact CG1-CG2 3.45Å; V738-T789 WeakPolarHBondContact O-CA 3.39Å; K739-T789 HydrophobicContact CB-CG2 4.38Å
790K94Very high87.8Confident89 Ų8963.6 Ų63.639%0.38734%0.343SS..EExtended strand (participates in β ladder)trans-142.2138.9174.8177.7165.6175.8-176.30112.2V738 I773 W788 V792V738-K790 PolarHBondContact N-O 3.25Å; V738-K790 PolarHBondContact O-N 3.08Å; I773-K790 HydrophobicContact CD1-CD 3.74Å; W788-K790 HydrophobicContact CE3-CB 4.46Å; W788-K790 HydrophobicContact CH2-CB 3.35Å; W788-K790 HydrophobicContact CH2-CD 3.9Å; W788-K790 HydrophobicContact CH2-CG 4.15Å; W788-K790 HydrophobicContact CZ2-CB 3.53Å; W788-K790 HydrophobicContact CZ2-CD 3.77Å; W788-K790 HydrophobicContact CZ2-CG 4.23Å; W788-K790 HydrophobicContact CZ3-CB 3.83Å; K790-V792 HydrophobicContact CG-CG2 4.26Å
791K93.4Very high87.8Confident116 Ų11664.5 Ų64.550%0.50434%0.344SS..EExtended strand (participates in β ladder)trans-76.7136.5165.5-75.4159.4162.3-87.30110.2E735 I736 V737E735-K791 VanDerWaalsContact OE1-CD 3.24Å; E735-K791 WeakPolarHBondContact OE1-CD 3.49Å; E735-K791 WeakPolarHBondContact OE1-CE 3.49Å; E735-K791 WeakPolarHBondContact OE1-CG 3.39Å; E735-K791 IonicContact OE1-NZ 2.64Å; E735-K791 PolarHBondContact OE1-NZ 2.89Å; E735-K791 IonicContact OE2-NZ 2.77Å; I736-K791 CarbonylContact O-C 3.59Å; I736-K791 WeakPolarHBondContact O-CA 3.31Å; V737-K791 HydrophobicContact CG2-CG 3.94Å
792V92.1Very high88Confident10 Ų1064.5 Ų64.56%0.06134%0.342CS..EExtended strand (participates in β ladder)trans-138.5123.4-177.2-176.90000108.5I736 V738 V772 I773 K790I736-V792 HydrophobicContact CG1-CB 3.94Å; I736-V792 WeakPolarHBondContact CG1-O 3.25Å; I736-V792 PolarHBondContact N-O 3.31Å; I736-V792 PolarHBondContact O-N 3.19Å; V738-V792 HydrophobicContact CG2-CG2 4.09Å; V772-V792 HydrophobicContact CG1-CG1 3.77Å; I773-V792 HydrophobicContact CB-CG1 4.24Å; I773-V792 HydrophobicContact CD1-CG2 3.92Å; I773-V792 HydrophobicContact CG2-CG1 3.94Å; I773-V792 HydrophobicContact CG2-CG2 4.15Å; K790-V792 HydrophobicContact CG-CG2 4.26Å
793D90.3Very high88.2Confident110 Ų11064.7 Ų64.759%0.58834%0.343SS*.EExtended strand (participates in β ladder)trans-83123.6172.6-60.8-64.5000109.8
794V89.4Confident88.5Confident1 Ų165.5 Ų65.51%0.00635%0.35CS..EExtended strand (participates in β ladder)trans-100.9116.9177.8-168.60000109T733 A734 I736 V772 I803 V823 Y825T733-V794 CarbonylContact C-O 3.56Å; T733-V794 WeakPolarHBondContact CA-O 3.5Å; A734-V794 PolarHBondContact N-O 3.44Å; A734-V794 PolarHBondContact O-N 3.46Å; I736-V794 HydrophobicContact CD1-CG2 3.74Å; I736-V794 HydrophobicContact CG1-CG2 3.86Å; I736-V794 HydrophobicContact CG2-CG2 4.04Å; V772-V794 HydrophobicContact CG1-CG2 4.41Å; V794-I803 HydrophobicContact CG1-CG2 3.73Å; V794-I803 HydrophobicContact CG2-CD1 4.45Å; V794-V823 HydrophobicContact CB-CG1 4.5Å; V794-V823 HydrophobicContact CG1-CG2 4.37Å; V794-Y825 WeakPolarHBondContact CG1-OH 3.49Å
795P86.8Confident88.9Confident65 Ų6556.7 Ų56.742%0.42231%0.312SS..EExtended strand (participates in β ladder)trans-75.6140.2171.230.9-33.3000110.7A797 Y825P795-A797 PolarHBondContact O-N 2.63Å; P795-Y825 PolarHBondContact O-OH 2.92Å
796K83.8Confident89.5Confident95 Ų9553.6 Ų53.641%0.41329%0.29SS..PPolyproline II helixtrans-68.6116.2-179.6-173.9176.7179.1177.50111.5S731 T732 Y825S731-K796 WeakPolarHBondContact O-CD 3.19Å; S731-K796 PolarHBondContact O-NZ 3.03Å; T732-K796 WeakPolarHBondContact O-CB 3.44Å; T732-K796 PolarHBondContact O-N 3.09Å; K796-Y825 HydrophobicContact CB-CD1 3.87Å; K796-Y825 HydrophobicContact CB-CD2 4.3Å; K796-Y825 HydrophobicContact CB-CE1 3.64Å; K796-Y825 HydrophobicContact CB-CE2 4.1Å; K796-Y825 HydrophobicContact CB-CG 4.19Å; K796-Y825 HydrophobicContact CD-CD1 4.19Å; K796-Y825 HydrophobicContact CD-CD2 4.05Å; K796-Y825 HydrophobicContact CD-CG 3.83Å; K796-Y825 HydrophobicContact CG-CD1 4.21Å; K796-Y825 HydrophobicContact CG-CD2 3.85Å; K796-Y825 HydrophobicContact CG-CE1 4.26Å; K796-Y825 HydrophobicContact CG-CE2 3.92Å; K796-Y825 HydrophobicContact CG-CG 4.01Å
797A83.1Confident90Very high6 Ų653.1 Ų53.15%0.0529%0.285CS..PPolyproline II helixtrans-85.2140.3177.300000112.1N766 S767 E768 P795 K799 G800N766-A797 HydrophobicContact CB-CB 4.3Å; S767-A797 VanDerWaalsContact OG-CB 3.26Å; S767-A797 WeakPolarHBondContact OG-CB 3.38Å; E768-A797 HydrophobicContact CB-CB 4.49Å; E768-A797 HydrophobicContact CG-CB 3.92Å; P795-A797 PolarHBondContact O-N 2.63Å; A797-K799 VanDerWaalsContact C-N 3.32Å; A797-K799 PolarHBondContact O-N 3.33Å; A797-G800 PolarHBondContact O-N 2.96Å
798S79Confident90.2Very high102 Ų10251.7 Ų51.771%0.71328%0.275SS*.THydrogen-bonded Turntrans-66.4-29.5177.662.30000113.8E768 G800E768-S798 VanDerWaalsContact OE1-CB 3.31Å; E768-S798 WeakPolarHBondContact OE1-CB 3.47Å; E768-S798 PolarHBondContact OE1-N 3.41Å; E768-S798 PolarHBondContact OE1-OG 3.43Å; S798-G800 VanDerWaalsContact C-N 3.32Å; S798-G800 PolarHBondContact O-N 2.88Å
799K78Confident90.2Very high156 Ų15650 Ų5068%0.67827%0.269SS*.THydrogen-bonded Turntrans-84.5-0-177.1-63.8-177.5-173.6168.70114.3E768 A797E768-K799 HydrophobicContact CG-CB 4.32Å; E768-K799 HydrophobicContact CG-CD 4.16Å; E768-K799 HydrophobicContact CG-CG 4.09Å; A797-K799 VanDerWaalsContact C-N 3.32Å; A797-K799 PolarHBondContact O-N 3.33Å
800G82.1Confident90.2Very high30 Ų3046.8 Ų46.831%0.30925%0.249SC..  trans132.8157.6176.900000113.3S767 A797 S798 E802S767-G800 WeakPolarHBondContact CB-O 3.26Å; S767-G800 PolarHBondContact OG-N 2.82Å; S767-G800 PolarHBondContact OG-O 3.48Å; A797-G800 PolarHBondContact O-N 2.96Å; S798-G800 VanDerWaalsContact C-N 3.32Å; S798-G800 PolarHBondContact O-N 2.88Å; G800-E802 PolarHBondContact O-N 2.97Å
801N86.7Confident90Very high68 Ų6843.8 Ų43.836%0.36424%0.236SC..SBendtrans-89.69-169.1-56.6-17000114.9V823 Y825N801-V823 WeakPolarHBondContact CB-O 3.37Å; N801-V823 WeakPolarHBondContact O-CB 3.21Å; N801-V823 PolarHBondContact O-N 3.05Å; N801-Y825 HydrophobicContact CB-CD2 4.22Å; N801-Y825 HydrophobicContact CB-CE2 3.9Å
802E91.2Very high90.1Very high83 Ų8339.6 Ų39.639%0.38822%0.218SC..EExtended strand (participates in β ladder)trans-85.5134.8179.4-166.1-164.1-130.400110.6G800 K820G800-E802 PolarHBondContact O-N 2.97Å; E802-K820 HydrophobicContact CG-CB 4.22Å; E802-K820 HydrophobicContact CG-CG 4.4Å; E802-K820 WeakPolarHBondContact OE1-CB 3.32Å; E802-K820 WeakPolarHBondContact OE1-CD 3.5Å; E802-K820 WeakPolarHBondContact OE1-CG 3.3Å; E802-K820 IonicContact OE1-NZ 2.68Å; E802-K820 PolarHBondContact OE1-NZ 3.31Å; E802-K820 IonicContact OE2-NZ 2.61Å; E802-K820 PolarHBondContact OE2-NZ 3.27Å
803I93.4Very high90.3Very high3 Ų339.1 Ų39.12%0.01522%0.215CC..EExtended strand (participates in β ladder)trans-107.6146.4168.661.5175.4000110.5I736 I764 G765 N766 V794 V805 K820 F821 V823I736-I803 HydrophobicContact CD1-CD1 3.54Å; I764-I803 HydrophobicContact CG2-CB 4.08Å; I764-I803 HydrophobicContact CG2-CD1 3.91Å; I764-I803 HydrophobicContact CG2-CG1 4.38Å; G765-I803 CarbonylContact O-C 3.57Å; G765-I803 VanDerWaalsContact O-CA 3.3Å; G765-I803 WeakPolarHBondContact O-CA 3.49Å; G765-I803 WeakPolarHBondContact O-CB 3.05Å; N766-I803 HydrophobicContact CB-CG2 4.39Å; V794-I803 HydrophobicContact CG1-CG2 3.73Å; V794-I803 HydrophobicContact CG2-CD1 4.45Å; I803-V805 HydrophobicContact CD1-CG2 4.14Å; I803-V805 HydrophobicContact CG1-CG2 4.24Å; I803-K820 WeakPolarHBondContact O-CA 3.43Å; I803-F821 HydrophobicContact CD1-CB 4.31Å; I803-F821 HydrophobicContact CD1-CD1 4.18Å; I803-F821 HydrophobicContact CG1-CB 3.86Å; I803-F821 HydrophobicContact CG1-CD1 4.31Å; I803-F821 WeakPolarHBondContact CG1-O 3.36Å; I803-F821 PolarHBondContact N-O 2.9Å; I803-F821 PolarHBondContact O-N 2.81Å; I803-V823 HydrophobicContact CD1-CG2 3.95Å; I803-V823 HydrophobicContact CG1-CG2 4.02Å; I803-V823 HydrophobicContact CG2-CG2 4.11Å
804S94.7Very high90.4Very high34 Ų3436 Ų3624%0.23821%0.208CC..EExtended strand (participates in β ladder)trans-101.8122.8171.4-177.40000109.6I764 G765 N806 L819I764-S804 VanDerWaalsContact CA-O 3.31Å; I764-S804 WeakPolarHBondContact CA-O 3.44Å; G765-S804 PolarHBondContact N-O 3.26Å; G765-S804 PolarHBondContact O-N 2.62Å; S804-N806 PolarHBondContact OG-ND2 2.79Å; S804-L819 WeakPolarHBondContact CA-O 3.37Å
805V95.9Very high90.7Very high0 Ų037 Ų370%021%0.214CC..EExtended strand (participates in β ladder)trans-112120-176.9-179.70000108.3L723 L762 I764 I803 L819L723-V805 HydrophobicContact CD1-CB 4.42Å; L723-V805 HydrophobicContact CD1-CG1 4.23Å; L723-V805 HydrophobicContact CD1-CG2 4.21Å; L723-V805 HydrophobicContact CD2-CG1 4.46Å; L723-V805 HydrophobicContact CD2-CG2 3.83Å; L762-V805 HydrophobicContact CD1-CG1 4Å; I764-V805 HydrophobicContact CD1-CG1 4.12Å; I764-V805 HydrophobicContact CD1-CG2 3.97Å; I764-V805 HydrophobicContact CG1-CB 4.3Å; I764-V805 HydrophobicContact CG1-CG1 4.02Å; I764-V805 HydrophobicContact CG1-CG2 4.02Å; I764-V805 HydrophobicContact CG2-CG2 4.17Å; I803-V805 HydrophobicContact CD1-CG2 4.14Å; I803-V805 HydrophobicContact CG1-CG2 4.24Å; V805-L819 HydrophobicContact CB-CB 4.3Å; V805-L819 PolarHBondContact N-O 3.34Å; V805-L819 PolarHBondContact O-N 3.22Å
806N96.9Very high91.1Very high2 Ų235.6 Ų35.61%0.01120%0.202CC..EExtended strand (participates in β ladder)trans-130.2130.1-174.7-61-99.6000109.6L641 L762 I763 S804 I808 I817 Q818L641-N806 HydrophobicContact CD1-CB 3.81Å; L762-N806 CarbonylContact C-O 3.57Å; L762-N806 WeakPolarHBondContact CA-O 3.26Å; I763-N806 HydrophobicContact CG2-CB 3.85Å; I763-N806 PolarHBondContact N-O 2.94Å; I763-N806 PolarHBondContact O-N 3.25Å; S804-N806 PolarHBondContact OG-ND2 2.79Å; N806-I808 HydrophobicContact CB-CD1 4.22Å; N806-I808 HydrophobicContact CB-CG1 4.32Å; N806-I817 CarbonylContact C-O 3.54Å; N806-I817 WeakPolarHBondContact CA-O 3.42Å; N806-Q818 VanDerWaalsContact OD1-CG 3.29Å; N806-Q818 WeakPolarHBondContact OD1-CG 3.49Å
807L96.8Very high91.6Very high0 Ų032.9 Ų32.90%019%0.192CC..EExtended strand (participates in β ladder)trans-114.9108.3172.1-172.573.7000107.5Y719 I721 V740 V760 S761 L762 D816 I817Y719-L807 HydrophobicContact CD1-CD2 4.45Å; Y719-L807 HydrophobicContact CD2-CD2 4.37Å; Y719-L807 HydrophobicContact CG-CD2 3.91Å; I721-L807 HydrophobicContact CD1-CB 3.53Å; I721-L807 HydrophobicContact CD1-CD2 3.94Å; I721-L807 HydrophobicContact CD1-CG 4.29Å; I721-L807 HydrophobicContact CG1-CD2 4.12Å; V740-L807 HydrophobicContact CG1-CD2 4Å; V760-L807 HydrophobicContact CB-CD1 3.77Å; V760-L807 HydrophobicContact CB-CD2 4.47Å; V760-L807 HydrophobicContact CB-CG 3.88Å; V760-L807 HydrophobicContact CG1-CG 4.29Å; V760-L807 HydrophobicContact CG2-CD1 3.65Å; V760-L807 HydrophobicContact CG2-CD2 4.28Å; V760-L807 HydrophobicContact CG2-CG 4.06Å; S761-L807 WeakPolarHBondContact O-CA 3.43Å; L762-L807 HydrophobicContact CB-CD1 3.87Å; L762-L807 HydrophobicContact CD1-CD1 4.4Å; L807-D816 VanDerWaalsContact O-CA 3.28Å; L807-D816 WeakPolarHBondContact O-CA 3.5Å; L807-I817 HydrophobicContact CB-CB 4.31Å; L807-I817 HydrophobicContact CD2-CD1 4.36Å; L807-I817 PolarHBondContact N-O 2.63Å; L807-I817 PolarHBondContact O-N 2.93Å
808I97Very high92.2Very high1 Ų138 Ų381%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-109.2122.8-170.3-56.9-56.9000110L641 L644 I645 V760 S761 N806 D816L641-I808 HydrophobicContact CD1-CD1 4.03Å; L641-I808 HydrophobicContact CD1-CG1 3.84Å; L644-I808 HydrophobicContact CB-CG2 4.3Å; I645-I808 HydrophobicContact CD1-CD1 4.42Å; I645-I808 HydrophobicContact CG1-CD1 4.08Å; I645-I808 HydrophobicContact CG1-CG1 4.47Å; I645-I808 HydrophobicContact CG1-CG2 4.41Å; V760-I808 CarbonylContact C-O 3.56Å; V760-I808 WeakPolarHBondContact CA-O 3.26Å; S761-I808 PolarHBondContact N-O 2.9Å; S761-I808 PolarHBondContact O-N 3.47Å; N806-I808 HydrophobicContact CB-CD1 4.22Å; N806-I808 HydrophobicContact CB-CG1 4.32Å; I808-D816 WeakPolarHBondContact CA-OD1 3.4Å; I808-D816 HydrophobicContact CD1-CB 4.23Å
809S95.8Very high92.9Very high1 Ų136.3 Ų36.31%0.00720%0.198CC..EExtended strand (participates in β ladder)trans-64.7146.4174.3171.60000111.3K648 H758 E811 Y812 D816K648-S809 VanDerWaalsContact CD-O 3.31Å; K648-S809 WeakPolarHBondContact CD-O 3.25Å; H758-S809 PolarHBondContact NE2-OG 3.04Å; S809-E811 VanDerWaalsContact C-N 3.3Å; S809-E811 PolarHBondContact OG-N 3.08Å; S809-E811 VanDerWaalsContact OG-N 3.09Å; S809-Y812 WeakPolarHBondContact CB-O 3.45Å; S809-Y812 PolarHBondContact OG-N 3.49Å; S809-D816 PolarHBondContact N-OD1 3.36Å
810S93.1Very high93.7Very high10 Ų1035.6 Ų35.67%0.0719%0.194CC..SBendtrans-74.8-20.2171.467.30000113.5H758 Y759H758-S810 PolarHBondContact CD2-OG 2.96Å; Y759-S810 PolarHBondContact N-OG 3.41Å; Y759-S810 VanDerWaalsContact O-CB 3.27Å; Y759-S810 WeakPolarHBondContact O-CB 3.31Å; Y759-S810 PolarHBondContact O-N 3.31Å; Y759-S810 PolarHBondContact O-OG 2.77Å; Y759-S810 VanDerWaalsContact O-OG 3.14Å
811E91.1Very high94.2Very high26 Ų2636 Ų3612%0.12119%0.188CC..SBendtrans-128.1-43.8-167.3-60-71.7108.500114.1R651 S809R651-E811 IonicContact CZ-OE2 2.91Å; R651-E811 IonicContact NE-OE1 2.7Å; R651-E811 PolarHBondContact NE-OE1 3.24Å; R651-E811 IonicContact NE-OE2 2.77Å; R651-E811 PolarHBondContact NE-OE2 3.32Å; R651-E811 IonicContact NH2-OE2 3.74Å; R651-E811 PolarHBondContact NH2-OE2 2.76Å; S809-E811 VanDerWaalsContact C-N 3.3Å; S809-E811 PolarHBondContact OG-N 3.08Å; S809-E811 VanDerWaalsContact OG-N 3.09Å
812Y94.8Very high94.4Very high28 Ų2835.9 Ų35.911%0.1119%0.191CC..  trans-112.7117.3-163.3-65.3-79000114.3Q664 M665 L716 T753 A754 S809 L815Q664-Y812 HydrophobicContact CB-CD1 4.34Å; M665-Y812 HydrophobicContact CE-CE1 4.12Å; L716-Y812 HydrophobicContact CD2-CD1 4.25Å; L716-Y812 HydrophobicContact CD2-CD2 4.37Å; L716-Y812 HydrophobicContact CD2-CE1 3.92Å; L716-Y812 HydrophobicContact CD2-CE2 4.05Å; L716-Y812 HydrophobicContact CD2-CG 4.47Å; T753-Y812 PolarHBondContact O-OH 3.34Å; T753-Y812 VanDerWaalsContact O-OH 3.13Å; A754-Y812 HydrophobicContact CB-CE2 3.77Å; S809-Y812 WeakPolarHBondContact CB-O 3.45Å; S809-Y812 PolarHBondContact OG-N 3.49Å; Y812-L815 HydrophobicContact CD2-CD1 4.01Å; Y812-L815 HydrophobicContact CG-CD1 4.08Å
813V95.7Very high94.3Very high1 Ų132 Ų321%0.00617%0.173CC..THydrogen-bonded Turntrans-64.3133.1164.2168.60000109.6K648 A652 L654 W655 V661 Q664 F684K648-V813 HydrophobicContact CD-CG2 4.37Å; A652-V813 HydrophobicContact CB-CB 4.41Å; A652-V813 HydrophobicContact CB-CG2 3.71Å; L654-V813 HydrophobicContact CB-CB 4.49Å; L654-V813 HydrophobicContact CB-CG2 4.09Å; W655-V813 VanDerWaalsContact O-CG1 3.23Å; W655-V813 WeakPolarHBondContact O-CG1 3.28Å; V661-V813 HydrophobicContact CG1-CG1 4.4Å; Q664-V813 PolarHBondContact NE2-O 3.29Å; F684-V813 WeakPolarHBondContact CE2-O 3.48Å
814G93.4Very high94Very high43 Ų4339 Ų3944%0.44320%0.2SC..THydrogen-bonded Turntrans94.73.6-179.700000115.5
815L94.6Very high93.6Very high23 Ų2338.7 Ų38.712%0.1219%0.194CC..  trans-105.60.9166.6-58.2-173.1000113.2F684 Y812F684-L815 HydrophobicContact CD2-CD2 3.74Å; F684-L815 HydrophobicContact CD2-CG 4.39Å; F684-L815 HydrophobicContact CE2-CD2 4.12Å; F684-L815 HydrophobicContact CE2-CG 4.29Å; Y812-L815 HydrophobicContact CD2-CD1 4.01Å; Y812-L815 HydrophobicContact CG-CD1 4.08Å
816D95.6Very high92.9Very high35 Ų3540.8 Ų40.819%0.18721%0.208CC..  trans-72.9147.6179.7-51.8-59.9000111.8K648 L807 I808 S809K648-D816 VanDerWaalsContact CE-OD2 3.25Å; K648-D816 WeakPolarHBondContact CE-OD2 3.49Å; K648-D816 IonicContact NZ-OD1 2.64Å; K648-D816 PolarHBondContact NZ-OD1 3.11Å; K648-D816 IonicContact NZ-OD2 2.75Å; K648-D816 PolarHBondContact NZ-OD2 3.07Å; L807-D816 VanDerWaalsContact O-CA 3.28Å; L807-D816 WeakPolarHBondContact O-CA 3.5Å; I808-D816 WeakPolarHBondContact CA-OD1 3.4Å; I808-D816 HydrophobicContact CD1-CB 4.23Å; S809-D816 PolarHBondContact N-OD1 3.36Å
817I95.6Very high91.3Very high39 Ų3945.1 Ų45.120%0.225%0.245CC..EExtended strand (participates in β ladder)trans-122.1129.1171-60.7172000108.3Y719 I721 N806 L807 L819Y719-I817 WeakPolarHBondContact O-CD1 3.4Å; I721-I817 HydrophobicContact CD1-CB 3.82Å; I721-I817 HydrophobicContact CD1-CD1 4.22Å; I721-I817 HydrophobicContact CD1-CG2 3.62Å; I721-I817 HydrophobicContact CG1-CD1 4Å; I721-I817 HydrophobicContact CG1-CG2 4.19Å; N806-I817 CarbonylContact C-O 3.54Å; N806-I817 WeakPolarHBondContact CA-O 3.42Å; L807-I817 HydrophobicContact CB-CB 4.31Å; L807-I817 HydrophobicContact CD2-CD1 4.36Å; L807-I817 PolarHBondContact N-O 2.63Å; L807-I817 PolarHBondContact O-N 2.93Å; I817-L819 HydrophobicContact CG2-CD1 4.03Å; I817-L819 HydrophobicContact CG2-CG 3.94Å
818Q94.9Very high89.1Confident113 Ų11348.5 Ų48.553%0.52827%0.272SS..EExtended strand (participates in β ladder)trans-126.4124.9176.5-57.4-170-8.900109.2N806N806-Q818 VanDerWaalsContact OD1-CG 3.29Å; N806-Q818 WeakPolarHBondContact OD1-CG 3.49Å
819L94.6Very high86.4Confident67 Ų6752.8 Ų52.835%0.35131%0.308SS..EExtended strand (participates in β ladder)trans-133.7155.6-175.7-64.5171000110.5I721 L723 S804 V805 I817I721-L819 HydrophobicContact CB-CD1 4.07Å; I721-L819 HydrophobicContact CG2-CD1 4.37Å; L723-L819 HydrophobicContact CD1-CD1 4.02Å; S804-L819 WeakPolarHBondContact CA-O 3.37Å; V805-L819 HydrophobicContact CB-CB 4.3Å; V805-L819 PolarHBondContact N-O 3.34Å; V805-L819 PolarHBondContact O-N 3.22Å; I817-L819 HydrophobicContact CG2-CD1 4.03Å; I817-L819 HydrophobicContact CG2-CG 3.94Å
820K93.6Very high83.6Confident140 Ų14061 Ų6161%0.60935%0.346SS*.EExtended strand (participates in β ladder)trans-118.4135.7168.1-83.7158.4155.5-83.30107.7E802 I803E802-K820 HydrophobicContact CG-CB 4.22Å; E802-K820 HydrophobicContact CG-CG 4.4Å; E802-K820 WeakPolarHBondContact OE1-CB 3.32Å; E802-K820 WeakPolarHBondContact OE1-CD 3.5Å; E802-K820 WeakPolarHBondContact OE1-CG 3.3Å; E802-K820 IonicContact OE1-NZ 2.68Å; E802-K820 PolarHBondContact OE1-NZ 3.31Å; E802-K820 IonicContact OE2-NZ 2.61Å; E802-K820 PolarHBondContact OE2-NZ 3.27Å; I803-K820 WeakPolarHBondContact O-CA 3.43Å
821F92.6Very high80.9Confident38 Ų3867.9 Ų67.917%0.16738%0.382CS..EExtended strand (participates in β ladder)trans-132.6121.7-178-174.2-89.3000109.8L723 Q725 I736 I803 V823L723-F821 HydrophobicContact CB-CD2 3.66Å; L723-F821 HydrophobicContact CB-CE2 3.64Å; L723-F821 HydrophobicContact CB-CG 4.38Å; L723-F821 HydrophobicContact CB-CZ 4.35Å; L723-F821 HydrophobicContact CD1-CD2 4.49Å; L723-F821 HydrophobicContact CG-CD2 4.47Å; Q725-F821 HydrophobicContact CB-CE1 4.32Å; Q725-F821 HydrophobicContact CB-CZ 4.21Å; I736-F821 HydrophobicContact CG2-CE1 4.31Å; I803-F821 HydrophobicContact CD1-CB 4.31Å; I803-F821 HydrophobicContact CD1-CD1 4.18Å; I803-F821 HydrophobicContact CG1-CB 3.86Å; I803-F821 HydrophobicContact CG1-CD1 4.31Å; I803-F821 WeakPolarHBondContact CG1-O 3.36Å; I803-F821 PolarHBondContact N-O 2.9Å; I803-F821 PolarHBondContact O-N 2.81Å; F821-V823 HydrophobicContact CD1-CG2 3.91Å; F821-V823 HydrophobicContact CE1-CG2 4.24Å
822P90.9Very high78.1Confident66 Ų6674.1 Ų74.143%0.42942%0.416SS..EExtended strand (participates in β ladder)trans-78.3124.817431.2-31.6000110Y824P822-Y824 HydrophobicContact CB-CE2 4.48Å; P822-Y824 HydrophobicContact CG-CE2 4.37Å
823V89.6Confident75Confident2 Ų281.8 Ų81.81%0.01245%0.452CS..PPolyproline II helixtrans-97.4138.2175.9-1760000109.7A734 V794 N801 I803 F821 Y825A734-V823 HydrophobicContact CB-CG1 3.49Å; A734-V823 VanDerWaalsContact CB-CG1 3.49Å; V794-V823 HydrophobicContact CB-CG1 4.5Å; V794-V823 HydrophobicContact CG1-CG2 4.37Å; N801-V823 WeakPolarHBondContact CB-O 3.37Å; N801-V823 WeakPolarHBondContact O-CB 3.21Å; N801-V823 PolarHBondContact O-N 3.05Å; I803-V823 HydrophobicContact CD1-CG2 3.95Å; I803-V823 HydrophobicContact CG1-CG2 4.02Å; I803-V823 HydrophobicContact CG2-CG2 4.11Å; F821-V823 HydrophobicContact CD1-CG2 3.91Å; F821-V823 HydrophobicContact CE1-CG2 4.24Å; V823-Y825 HydrophobicContact CB-CE2 4.02Å; V823-Y825 HydrophobicContact CG1-CE1 4.21Å; V823-Y825 HydrophobicContact CG1-CE2 3.81Å
824Y86.9Confident71.9Confident150 Ų15088 Ų8859%0.58849%0.491SS*.PPolyproline II helixtrans-103138.6178.6-60.5-86.4000110.5Q725 P822Q725-Y824 PolarHBondContact NE2-O 3.5Å; P822-Y824 HydrophobicContact CB-CE2 4.48Å; P822-Y824 HydrophobicContact CG-CE2 4.37Å
825Y86.4Confident68.8Low28 Ų2894.8 Ų94.811%0.1151%0.511CS..  trans-124.5150.8177.8-61-85.1000108.2S730 A734 V794 P795 K796 N801 V823S730-Y825 WeakPolarHBondContact O-CB 3.43Å; A734-Y825 HydrophobicContact CB-CD1 3.97Å; A734-Y825 HydrophobicContact CB-CE1 3.67Å; V794-Y825 WeakPolarHBondContact CG1-OH 3.49Å; P795-Y825 PolarHBondContact O-OH 2.92Å; K796-Y825 HydrophobicContact CB-CD1 3.87Å; K796-Y825 HydrophobicContact CB-CD2 4.3Å; K796-Y825 HydrophobicContact CB-CE1 3.64Å; K796-Y825 HydrophobicContact CB-CE2 4.1Å; K796-Y825 HydrophobicContact CB-CG 4.19Å; K796-Y825 HydrophobicContact CD-CD1 4.19Å; K796-Y825 HydrophobicContact CD-CD2 4.05Å; K796-Y825 HydrophobicContact CD-CG 3.83Å; K796-Y825 HydrophobicContact CG-CD1 4.21Å; K796-Y825 HydrophobicContact CG-CD2 3.85Å; K796-Y825 HydrophobicContact CG-CE1 4.26Å; K796-Y825 HydrophobicContact CG-CE2 3.92Å; K796-Y825 HydrophobicContact CG-CG 4.01Å; N801-Y825 HydrophobicContact CB-CD2 4.22Å; N801-Y825 HydrophobicContact CB-CE2 3.9Å; V823-Y825 HydrophobicContact CB-CE2 4.02Å; V823-Y825 HydrophobicContact CG1-CE1 4.21Å; V823-Y825 HydrophobicContact CG1-CE2 3.81Å
826S80.8Confident65.7Low43 Ų43101 Ų10130%0.30154%0.543SS..PPolyproline II helixtrans-69145.9177.759.60000110.2S730 S731 A828S730-S826 WeakPolarHBondContact CA-OG 3.48Å; S730-S826 PolarHBondContact O-N 2.95Å; S730-S826 PolarHBondContact O-OG 3.48Å; S731-S826 PolarHBondContact N-OG 2.67Å; S731-S826 VanDerWaalsContact N-OG 3.14Å; S826-A828 PolarHBondContact O-N 3.22Å
827A64.1Low62.6Low94 Ų94104.8 Ų104.878%0.77757%0.569SS**PPolyproline II helixtrans-60.2134.316800000108.2A829A827-A829 PolarHBondContact O-N 2.95Å
828A50.4Low59.2Low70 Ų70111.2 Ų111.258%0.57960%0.599SS**PPolyproline II helixtrans-62.7126.7168.300000107.6S826 Q830S826-A828 PolarHBondContact O-N 3.22Å; A828-Q830 PolarHBondContact O-N 3.17Å
829A39.4Very low55.9Low91 Ų91110.8 Ų110.875%0.75261%0.608SS**  trans-62.3107.3171.100000107.9A827 N831A827-A829 PolarHBondContact O-N 2.95Å; A829-N831 PolarHBondContact O-N 3.15Å
830Q38.3Very low52.5Low174 Ų174116.6 Ų116.681%0.81363%0.63SS**  trans-68.1128161.8-71.9-177.8-27.400106.7A828 L832A828-Q830 PolarHBondContact O-N 3.17Å; Q830-L832 VanDerWaalsContact C-N 3.33Å; Q830-L832 PolarHBondContact O-N 3.27Å
831N36Very low49.2Very low155 Ų155115.2 Ų115.283%0.82963%0.634SS**  trans-66.793.9176.8-68.7-15.6000109.1A829A829-N831 PolarHBondContact O-N 3.15Å
832L32.8Very low46Very low157 Ų157120 Ų12082%0.82266%0.661SS**  trans-84114.7156.8-91.4138000107Q830Q830-L832 VanDerWaalsContact C-N 3.33Å; Q830-L832 PolarHBondContact O-N 3.27Å
833E29.6Very low42.9Very low188 Ų188124.4 Ų124.488%0.87968%0.681SS**  trans-64.1138.6178.8-66177.212800110.3E835E833-E835 PolarHBondContact O-N 2.92Å
834T30.6Very low39.9Very low133 Ų133131.3 Ų131.382%0.81672%0.717SS**  trans-81.9101.1-175.348.20000111.4
835E27.2Very low36.9Very low184 Ų184130.8 Ų130.886%0.8673%0.729SS**  trans-112.3121.7153.7-69.3-155149.300110.6E833E833-E835 PolarHBondContact O-N 2.92Å
836I28.9Very low34.1Very low154 Ų154133 Ų13379%0.7976%0.761SS**  trans-135120.6170.5-61.6174.2000107.1
837P30.4Very low31.4Very low115 Ų115139.9 Ų139.975%0.74779%0.788SS**  trans-129.6112.6135.76.415.7000113.5
838Q25.5Very low29.4Very low174 Ų174147 Ų14781%0.81380%0.795SS**  trans51.698.5130.5-57.4-178.55.200120.1
839S24.4Very low28.1Very low103 Ų103147.8 Ų147.872%0.7280%0.801SS**  trans21.9129.7131.262.30000121.2
840K24.1Very low27.4Very low190 Ų190151.7 Ų151.783%0.82680%0.804SS**  -173.1151.4112.1-105169.3-176.1177.50115.3
841T24.3Very low26.7Very low111 Ų111150.8 Ų150.868%0.68180%0.799SS**  trans52.2111.7152.553.40000121.3
842D24.7Very low26.1Very low139 Ų139147.1 Ų147.174%0.74379%0.786SS**  30.5125.5125.3-43.1-40.9000120.2
843N26.8Very low25.7Very low157 Ų157148.7 Ų148.784%0.8479%0.789SS**  -167.8172.7104-109-72.5000116.5
844L25.4Very low25.2Very low147 Ų147144.3 Ų144.377%0.7778%0.778SS**  trans-77.8153.4-167.4-77.3152.7000117.1
845V25.3Very low24.9Very low140 Ų140143.3 Ų143.385%0.84878%0.777SS**  trans68.5126.7144.3170.80000119.9
846G26.3Very low24.7Very low75 Ų75142.1 Ų142.177%0.77377%0.771SS**  trans-173.4117.4161.500000112.9
847Q24Very low24.4Very low187 Ų187139 Ų13987%0.87476%0.759SS**  trans-104133.9177.8-70.9-178.6-13.300112.4
848R23.3Very low24.1Very low242 Ų242140.9 Ų140.991%0.91376%0.758SS**  trans159.3124.5142.9-87.7156.6-177.5-168.30.1107.6
849A22.6Very low24.1Very low87 Ų87141.1 Ų141.172%0.71976%0.756SS**  cis84.2142.738.600000114.3
850Q24.5Very low24Very low174 Ų174141.3 Ų141.381%0.81375%0.753SS**  trans76.6147.5171-53.3-167.5-32.700116.5
851H24.7Very low24Very low154 Ų154136.9 Ų136.971%0.71375%0.746SS**  cis-154.2157.9-17-124.2-67.1000113.3
852S22.2Very low24Very low79 Ų79137.1 Ų137.155%0.55275%0.752SS**  trans-10.9142.6157.352.90000122.8
853H24.1Very low24Very low190 Ų190134.2 Ų134.288%0.8875%0.748SS**  -144.5135.9122.1-94.3-84.3000107.7
854C20.8Very low23.8Very low96 Ų96135 Ų13565%0.64974%0.744SS**  cis90.682.812.6-156.30000117.3
855S23.2Very low23.7Very low112 Ų112134.8 Ų134.878%0.78374%0.739SS**  trans-149.514113854.30000107.3
856E22.8Very low23.6Very low158 Ų158134.4 Ų134.474%0.73873%0.732SS**  cis76.3133.429.3-60.4-141.3130.500114.4
857T23Very low23.5Very low90 Ų90138.3 Ų138.355%0.55273%0.733SS**  cis-159.6159.23.85.50000114.1
858Q25.1Very low23.4Very low153 Ų153136.6 Ų136.672%0.71573%0.73SS**  trans66.2159.9149.9-67.4164.229.400117.8
859K24.9Very low23.4Very low179 Ų179129 Ų12978%0.77872%0.719SS**  cis-125.8133.915.4-75.8177.5-178.9176.90110.1
860T21.8Very low23.4Very low107 Ų107133.8 Ų133.866%0.65673%0.727SS**  53.8131.172.667.30000113.9
861S24.4Very low23.4Very low97 Ų97129.3 Ų129.368%0.67872%0.715SS**  cis-176.3156.52.141.30000112.9
862S23.4Very low23.5Very low116 Ų116132.4 Ų132.481%0.81172%0.722SS**  trans63.7159.7151.865.80000118.6
863A24.6Very low23.8Very low78 Ų78133.9 Ų133.965%0.64573%0.732SS**  cis-139.3155.42.200000109.7
864K23.8Very low24.3Very low175 Ų175128.7 Ų128.776%0.76172%0.722SS**  52.7141.591.7-56-173171-171.30114.5
865Q23.6Very low25.5Very low142 Ų142128.2 Ų128.266%0.66472%0.72SS**  cis-155.3155.114.3-141.2149-20.400112.9
866D22.1Very low26.8Very low131 Ų131129 Ų12970%0.70171%0.709SS**  trans4162.6135.4-40.7-43.2000118.5
867I24.9Very low28.6Very low157 Ų157128.8 Ų128.881%0.80570%0.702SS**  cis-151.5150.644.1-56.6171.9000112.8
868N21.8Very low30.2Very low151 Ų151131.8 Ų131.881%0.80771%0.709SS**  trans-31.6168.7152-79.1-26.6000117.2
869A23.7Very low32.3Very low83 Ų83125 Ų12569%0.68668%0.679SS**  cis-166.5-156.1-14.300000108.6
870E22.9Very low34.1Very low187 Ų187123.2 Ų123.287%0.87468%0.678SS**  trans73.3151.3175.8-55.7-175-169.600117.4
871S24.5Very low36.2Very low81 Ų81122 Ų12257%0.56667%0.665SS**  cis-159.9154.5-42.357.70000108.8
872Y25.8Very low37.7Very low218 Ų218127.5 Ų127.586%0.85568%0.676SS**  trans56121.9175.2-55.1-82.2000116.6
873S28.3Very low40.1Very low110 Ų110123.4 Ų123.477%0.76965%0.648SS**  cis-178.5159.845.847.70000113.4
874A35.6Very low42Very low81 Ų81130.8 Ų130.867%0.66967%0.665SS**  trans44.377.5147.700000121.6K876A874-K876 PolarHBondContact O-N 3.05Å
875S45.3Very low44Very low86 Ų86126.4 Ų126.460%0.60165%0.65SS**  62.340.7119.4700000121.4A899S875-A899 WeakPolarHBondContact O-CA 3.33Å
876K50Low45.9Very low128 Ų128122.9 Ų122.956%0.55763%0.633SS**EExtended strand (participates in β ladder)trans-133.4136.9166.1-61.1-173.4-172.3176.50113.9A874 V896 V898A874-K876 PolarHBondContact O-N 3.05Å; K876-V896 WeakPolarHBondContact CD-O 3.36Å; K876-V896 PolarHBondContact NZ-O 3.39Å; K876-V898 CarbonylContact C-O 3.53Å; K876-V898 WeakPolarHBondContact CA-O 3.37Å
877R60.9Low47.7Very low154 Ų154123.6 Ų123.658%0.58164%0.636SS**EExtended strand (participates in β ladder)trans-99.1158.7171.167.2170.7177.4166.50.6111.7V898 V900R877-V898 HydrophobicContact CG-CB 4.26Å; R877-V898 WeakPolarHBondContact CG-O 3.46Å; R877-V898 PolarHBondContact N-O 3.27Å; R877-V898 PolarHBondContact O-N 2.98Å; R877-V900 HydrophobicContact CB-CG2 3.89Å; R877-V900 HydrophobicContact CG-CG2 3.7Å
878Q57.1Low49.6Very low153 Ų153123.2 Ų123.272%0.71564%0.635SS**PPolyproline II helixtrans-65.6151.4169.3-66.4-169.35.600111.7
879C69.1Low51.9Low11 Ų11116.7 Ų116.77%0.07460%0.601CS.*PPolyproline II helixtrans-83.5145.8173.567.30000112.4H881 K886 C893 C894 V898C879-H881 PolarHBondContact O-N 2.79Å; C879-H881 VanDerWaalsContact O-N 3.15Å; C879-K886 PolarHBondContact O-NZ 2.89Å; C879-C893 HydrophobicContact CB-CB 4.13Å; C879-C893 PolarHBondContact SG-O 3.42Å; C879-C893 VanDerWaalsContact SG-O 3.36Å; C879-C894 PolarHBondContact SG-SG 2.79Å; C879-V898 HydrophobicContact CB-CG2 3.94Å
880N62.4Low53.9Low141 Ų141116.7 Ų116.775%0.75460%0.601SS**  trans-81.621.8176.1-68.57.4000113.4F882N880-F882 PolarHBondContact O-N 3.23Å
881H66.4Low56Low83 Ų83112 Ų11238%0.38458%0.579SS.*  trans-75124.4179-139.7148.8000110.3C879 C883 K886 H891C879-H881 PolarHBondContact O-N 2.79Å; C879-H881 VanDerWaalsContact O-N 3.15Å; H881-C883 PolarHBondContact O-N 3.45Å; H881-K886 WeakPolarHBondContact O-CE 3.11Å; H881-H891 AromaticContact CE1-CE1 3.26Å; H881-H891 PolarHBondContact CE1-CE1 2.82Å; H881-H891 AromaticContact CE1-CG 3.99Å; H881-H891 AromaticContact CE1-ND1 3.24Å; H881-H891 PolarHBondContact CE1-ND1 3.34Å; H881-H891 AromaticContact ND1-CE1 3.89Å; H881-H891 AromaticContact ND1-ND1 3.38Å; H881-H891 PolarHBondContact ND1-ND1 2.6Å; H881-H891 AromaticContact NE2-CE1 3.68Å; H881-H891 AromaticContact NE2-ND1 3.88Å
882F56.4Low58Low211 Ų211112.9 Ų112.993%0.92558%0.578SS**  trans-8080.9178-78.6-87.9000111.2N880N880-F882 PolarHBondContact O-N 3.23Å
883C72.6Confident60Low31 Ų31104.7 Ų104.721%0.20955%0.552CS.*  trans-108.6131.8178.2-55.40000110.7H881 N885 K886 C889H881-C883 PolarHBondContact O-N 3.45Å; C883-N885 PolarHBondContact O-N 2.97Å; C883-N885 VanDerWaalsContact O-N 3.11Å; C883-K886 HydrophobicContact CB-CG 4.46Å; C883-C889 HydrophobicContact CB-CB 4.2Å; C883-C889 PolarHBondContact SG-SG 3.35Å
884K64.6Low61.9Low232 Ų232100.5 Ų100.5100%1.00952%0.522SS*.SBendtrans-59.7-25.9-172.1-146.1176.8-172.5-179.10114
885N65.5Low63.3Low83 Ų83102.4 Ų102.444%0.44452%0.515SS..  trans-144.6125.7160.8-179.6-21.2000107.1C883 N887C883-N885 PolarHBondContact O-N 2.97Å; C883-N885 VanDerWaalsContact O-N 3.11Å; N885-N887 PolarHBondContact OD1-N 2.73Å
886K64.9Low64.3Low69 Ų69102.4 Ų102.430%0.351%0.511SS..SBendtrans-75.8-27-178.1-69.6-168.2-179.2-177.90113.2C879 H881 C883 C889C879-K886 PolarHBondContact O-NZ 2.89Å; H881-K886 WeakPolarHBondContact O-CE 3.11Å; C883-K886 HydrophobicContact CB-CG 4.46Å; K886-C889 WeakPolarHBondContact O-CB 3.44Å; K886-C889 PolarHBondContact O-N 2.91Å
887N60Low65.1Low145 Ų14597.5 Ų97.578%0.77550%0.498SS*.THydrogen-bonded Turntrans-77.8-22.9-176.3-61.34.3000112.7N885N885-N887 PolarHBondContact OD1-N 2.73Å
888L63.1Low65.1Low149 Ų14992.5 Ų92.578%0.7848%0.484SS*.THydrogen-bonded Turntrans-102.910174.4-64.6173.8000112.5
889C70.5Confident64.8Low15 Ų1588.6 Ų88.610%0.10148%0.478CS..  trans-79135.6-179.9-174.50000111.1C883 K886 H891 C894 K895C883-C889 HydrophobicContact CB-CB 4.2Å; C883-C889 PolarHBondContact SG-SG 3.35Å; K886-C889 WeakPolarHBondContact O-CB 3.44Å; K886-C889 PolarHBondContact O-N 2.91Å; C889-H891 VanDerWaalsContact C-N 3.26Å; C889-H891 PolarHBondContact O-N 3.04Å; C889-H891 PolarHBondContact SG-ND1 2.95Å; C889-H891 VanDerWaalsContact SG-ND1 3.36Å; C889-C894 HydrophobicContact CB-CB 3.93Å; C889-C894 VanDerWaalsContact SG-SG 3.64Å; C889-K895 WeakPolarHBondContact O-CE 3.44Å
890A65.8Low63.6Low83 Ų8392.1 Ų92.169%0.68650%0.499SS*.SBendtrans-68.7-21.4177.200000113.8D892 K895A890-D892 PolarHBondContact O-N 2.67Å; A890-K895 PolarHBondContact O-NZ 3.11Å
891H68.1Low62.4Low87 Ų8789 Ų8940%0.40350%0.5SS..  trans-73.5123.7-177.6-55.2135.6000112.5H881 C889 C893 C894H881-H891 AromaticContact CE1-CE1 3.26Å; H881-H891 PolarHBondContact CE1-CE1 2.82Å; H881-H891 AromaticContact CE1-CG 3.99Å; H881-H891 AromaticContact CE1-ND1 3.24Å; H881-H891 PolarHBondContact CE1-ND1 3.34Å; H881-H891 AromaticContact ND1-CE1 3.89Å; H881-H891 AromaticContact ND1-ND1 3.38Å; H881-H891 PolarHBondContact ND1-ND1 2.6Å; H881-H891 AromaticContact NE2-CE1 3.68Å; H881-H891 AromaticContact NE2-ND1 3.88Å; C889-H891 VanDerWaalsContact C-N 3.26Å; C889-H891 PolarHBondContact O-N 3.04Å; C889-H891 PolarHBondContact SG-ND1 2.95Å; C889-H891 VanDerWaalsContact SG-ND1 3.36Å; H891-C893 PolarHBondContact O-N 3.2Å; H891-C894 VanDerWaalsContact O-CB 3.28Å; H891-C894 WeakPolarHBondContact O-CB 3.39Å; H891-C894 PolarHBondContact O-N 2.7Å
892D64.6Low60.9Low101 Ų10194.3 Ų94.354%0.5453%0.525SS..Hα-helixtrans-68.8-21.5-177.1-57.8-47000113.5A890 C894 K895 V896A890-D892 PolarHBondContact O-N 2.67Å; D892-C894 PolarHBondContact O-N 2.69Å; D892-K895 PolarHBondContact O-N 2.94Å; D892-K895 VanDerWaalsContact O-N 3.16Å; D892-K895 IonicContact OD1-NZ 2.97Å; D892-K895 PolarHBondContact OD1-NZ 3.41Å; D892-V896 HydrophobicContact CB-CG2 4.38Å; D892-V896 WeakPolarHBondContact O-CB 3.49Å; D892-V896 WeakPolarHBondContact O-CG2 3.45Å; D892-V896 PolarHBondContact O-N 3.35Å
893C68.9Low59.7Low45 Ų4594.2 Ų94.230%0.30452%0.524SS..Hα-helixtrans-63.1-24.5169.568.40000113.3C879 H891 G897 V898C879-C893 HydrophobicContact CB-CB 4.13Å; C879-C893 PolarHBondContact SG-O 3.42Å; C879-C893 VanDerWaalsContact SG-O 3.36Å; H891-C893 PolarHBondContact O-N 3.2Å; C893-G897 PolarHBondContact O-N 2.8Å; C893-V898 HydrophobicContact CB-CG2 4.1Å
894C68.9Low57.6Low22 Ų22104.3 Ų104.315%0.14956%0.558CS.*Hα-helixtrans-79.9-33.9173.9-63.60000112.1C879 C889 H891 D892C879-C894 PolarHBondContact SG-SG 2.79Å; C889-C894 HydrophobicContact CB-CB 3.93Å; C889-C894 VanDerWaalsContact SG-SG 3.64Å; H891-C894 VanDerWaalsContact O-CB 3.28Å; H891-C894 WeakPolarHBondContact O-CB 3.39Å; H891-C894 PolarHBondContact O-N 2.7Å; D892-C894 PolarHBondContact O-N 2.69Å
895K65.2Low55.9Low122 Ų12299 Ų9953%0.5355%0.55SS..Hα-helixtrans-83.6-39.2-179-60.4173.8-164.2150.50113.5C889 A890 D892C889-K895 WeakPolarHBondContact O-CE 3.44Å; A890-K895 PolarHBondContact O-NZ 3.11Å; D892-K895 PolarHBondContact O-N 2.94Å; D892-K895 VanDerWaalsContact O-N 3.16Å; D892-K895 IonicContact OD1-NZ 2.97Å; D892-K895 PolarHBondContact OD1-NZ 3.41Å
896V64.6Low54.7Low85 Ų8599.4 Ų99.452%0.51557%0.565SS.*Hα-helixtrans-117-8.5-164.2-156.60000113.1K876 D892K876-V896 WeakPolarHBondContact CD-O 3.36Å; K876-V896 PolarHBondContact NZ-O 3.39Å; D892-V896 HydrophobicContact CB-CG2 4.38Å; D892-V896 WeakPolarHBondContact O-CB 3.49Å; D892-V896 WeakPolarHBondContact O-CG2 3.45Å; D892-V896 PolarHBondContact O-N 3.35Å
897G67Low53Low26 Ų26104 Ų10427%0.26859%0.593SS.*  trans75171.8178.600000114.9C893C893-G897 PolarHBondContact O-N 2.8Å
898V62.3Low52.2Low49 Ų49106 Ų10630%0.29760%0.597SS.*EExtended strand (participates in β ladder)trans-117.5128.1-172.4-176.30000110.1K876 R877 C879 C893K876-V898 CarbonylContact C-O 3.53Å; K876-V898 WeakPolarHBondContact CA-O 3.37Å; R877-V898 HydrophobicContact CG-CB 4.26Å; R877-V898 WeakPolarHBondContact CG-O 3.46Å; R877-V898 PolarHBondContact N-O 3.27Å; R877-V898 PolarHBondContact O-N 2.98Å; C879-V898 HydrophobicContact CB-CG2 3.94Å; C893-V898 HydrophobicContact CB-CG2 4.1Å
899A49.5Very low50.9Low71 Ų71107.6 Ų107.659%0.58760%0.601SS**EExtended strand (participates in β ladder)trans-65.8154.4-179.700000113.1S875S875-A899 WeakPolarHBondContact O-CA 3.33Å
900V44.3Very low49.6Very low85 Ų85112 Ų11252%0.51563%0.631SS.*  trans-119.6109.1179.4-177.60000110.1R877R877-V900 HydrophobicContact CB-CG2 3.89Å; R877-V900 HydrophobicContact CG-CG2 3.7Å
901G38.2Very low48.6Very low76 Ų76113 Ų11378%0.78463%0.633SS**PPolyproline II helixtrans-84.7136.9170.500000111.8
902Q33.5Very low47.5Very low194 Ų194115.5 Ų115.591%0.90764%0.643SS**PPolyproline II helixtrans-80.9152.9170.9-72.5-178.6-29.800111.3
903K31.8Very low46.6Very low208 Ų208114.6 Ų114.690%0.90465%0.645SS**PPolyproline II helixtrans-62.4141.4176.7-75.6-176.1173.6-177.70111.9
904R28.1Very low45.4Very low244 Ų244116.4 Ų116.492%0.92166%0.658SS**  trans-128.1164.5151.5-81.4-170.1169.7-174.9-3.1110.1
905S29.9Very low44.3Very low120 Ų120122 Ų12284%0.83968%0.677SS**  trans-71.9168.5-175.6430000113.3
906A39.1Very low43.5Very low92 Ų92120.2 Ų120.276%0.7667%0.673SS**  trans-66.3140.5-172.500000114.2
907N29.5Very low42.6Very low164 Ų164122.5 Ų122.588%0.87768%0.678SS**  trans-155.5141.3139.5-99.8-14.9000107.4
908H42.6Very low41.5Very low188 Ų188124.4 Ų124.487%0.8768%0.682SS**  trans-120.351.5-152.2-163.6-67.6000113.8
909E36.4Very low40.5Very low183 Ų183126.1 Ų126.186%0.85569%0.689SS**SBendtrans-144.6-24.6-175-124.4161.7-146.100117
910S44.3Very low40.1Very low107 Ų107132 Ų13275%0.74870%0.696SS**SBendtrans-89.8-10.4-172.854.30000116.2
911S42.8Very low39.9Very low104 Ų104133.8 Ų133.873%0.72770%0.703SS**Hα-helixtrans-72.7-32.8-174.6-167.80000113.7
912F46.3Very low40Very low139 Ų139138.2 Ų138.261%0.6170%0.696SS**Hα-helixtrans-76-39.3-168.2-167.3-116.5000113.3S914 Y915 L916F912-S914 PolarHBondContact O-N 2.92Å; F912-Y915 WeakPolarHBondContact O-CB 3.37Å; F912-Y915 PolarHBondContact O-N 3.48Å; F912-Y915 VanDerWaalsContact O-N 3.17Å; F912-L916 HydrophobicContact CD1-CD1 3.99Å; F912-L916 HydrophobicContact CD1-CG 4.5Å; F912-L916 HydrophobicContact CE1-CD1 3.68Å; F912-L916 HydrophobicContact CE1-CG 4.27Å; F912-L916 HydrophobicContact CZ-CD1 4.3Å; F912-L916 HydrophobicContact CZ-CD2 4.4Å; F912-L916 HydrophobicContact CZ-CG 4.49Å; F912-L916 PolarHBondContact O-N 3.42Å
913S45.7Very low40.1Very low82 Ų82133.2 Ų133.257%0.57368%0.682SS**Hα-helixtrans-62.7-42.6-178.1-50.20000112.6Y915 L916 E917S913-Y915 PolarHBondContact O-N 3.15Å; S913-L916 PolarHBondContact O-N 2.88Å; S913-E917 PolarHBondContact O-N 3.27Å; S913-E917 VanDerWaalsContact O-N 3.16Å
914S44.2Very low40.4Very low83 Ų83130.1 Ų130.158%0.5868%0.675SS**Hα-helixtrans-61.4-29.2177.1178.60000113F912 D918F912-S914 PolarHBondContact O-N 2.92Å; S914-D918 PolarHBondContact O-N 3.38Å
915Y45.9Very low41.1Very low139 Ų139124.3 Ų124.355%0.54567%0.667SS.*Hα-helixtrans-78.2-36.4178.8-177.8-111.4000112.3F912 S913 E917 L919F912-Y915 WeakPolarHBondContact O-CB 3.37Å; F912-Y915 PolarHBondContact O-N 3.48Å; F912-Y915 VanDerWaalsContact O-N 3.17Å; S913-Y915 PolarHBondContact O-N 3.15Å; Y915-E917 VanDerWaalsContact C-N 3.33Å; Y915-L919 HydrophobicContact CD1-CD1 3.93Å; Y915-L919 HydrophobicContact CE1-CD1 3.55Å; Y915-L919 HydrophobicContact CE1-CG 4.49Å; Y915-L919 WeakPolarHBondContact O-CG 3.41Å; Y915-L919 PolarHBondContact O-N 3.24Å; Y915-L919 VanDerWaalsContact O-N 3.11Å
916L47.6Very low41.3Very low86 Ų86126.9 Ų126.945%0.4567%0.67SS.*Hα-helixtrans-69.5-30.3175.1-66.2179.7000112.8F912 S913 L919 R920F912-L916 HydrophobicContact CD1-CD1 3.99Å; F912-L916 HydrophobicContact CD1-CG 4.5Å; F912-L916 HydrophobicContact CE1-CD1 3.68Å; F912-L916 HydrophobicContact CE1-CG 4.27Å; F912-L916 HydrophobicContact CZ-CD1 4.3Å; F912-L916 HydrophobicContact CZ-CD2 4.4Å; F912-L916 HydrophobicContact CZ-CG 4.49Å; F912-L916 PolarHBondContact O-N 3.42Å; S913-L916 PolarHBondContact O-N 2.88Å; L916-L919 HydrophobicContact CD2-CD1 4.5Å; L916-R920 PolarHBondContact O-N 3.38Å
917E44.8Very low40.9Very low132 Ų132127.1 Ų127.162%0.61767%0.672SS**Hα-helixtrans-73.9-42.4178.2-160.3156-13200111.9S913 Y915 L919 R920 N921S913-E917 PolarHBondContact O-N 3.27Å; S913-E917 VanDerWaalsContact O-N 3.16Å; Y915-E917 VanDerWaalsContact C-N 3.33Å; E917-L919 VanDerWaalsContact C-N 3.28Å; E917-L919 PolarHBondContact O-N 3.02Å; E917-R920 PolarHBondContact O-N 2.64Å; E917-N921 PolarHBondContact O-N 3.17Å; E917-N921 PolarHBondContact O-ND2 2.68Å
918D44.9Very low40.9Very low67 Ų67128.1 Ų128.136%0.35867%0.671SS.*Hα-helixtrans-65.9-27.9171.3-175.540.8000112.6S914 R922S914-D918 PolarHBondContact O-N 3.38Å; D918-R922 VanDerWaalsContact O-CD 3.23Å; D918-R922 WeakPolarHBondContact O-CD 3.2Å; D918-R922 VanDerWaalsContact O-CG 3.24Å; D918-R922 WeakPolarHBondContact O-CG 3.42Å; D918-R922 PolarHBondContact O-NE 3.2Å; D918-R922 IonicContact OD1-CZ 3.62Å; D918-R922 IonicContact OD1-NE 3.05Å; D918-R922 PolarHBondContact OD1-NE 2.87Å; D918-R922 IonicContact OD1-NH2 3.31Å; D918-R922 PolarHBondContact OD1-NH2 2.83Å; D918-R922 IonicContact OD2-CZ 3.3Å; D918-R922 VanDerWaalsContact OD2-CZ 3.3Å; D918-R922 IonicContact OD2-NE 3.22Å; D918-R922 PolarHBondContact OD2-NE 3.12Å; D918-R922 IonicContact OD2-NH2 2.68Å; D918-R922 PolarHBondContact OD2-NH2 2.61Å
919L40.3Very low40.2Very low85 Ų85125.9 Ų125.945%0.44567%0.671SS.*Hα-helixtrans-71.3-34.4172-83.6169000113.5Y915 L916 E917Y915-L919 HydrophobicContact CD1-CD1 3.93Å; Y915-L919 HydrophobicContact CE1-CD1 3.55Å; Y915-L919 HydrophobicContact CE1-CG 4.49Å; Y915-L919 WeakPolarHBondContact O-CG 3.41Å; Y915-L919 PolarHBondContact O-N 3.24Å; Y915-L919 VanDerWaalsContact O-N 3.11Å; L916-L919 HydrophobicContact CD2-CD1 4.5Å; E917-L919 VanDerWaalsContact C-N 3.28Å; E917-L919 PolarHBondContact O-N 3.02Å
920R42Very low40.1Very low194 Ų194122.4 Ų122.473%0.73267%0.665SS**Hα-helixtrans-68-45.7174.3-80.6-175171.9-179.7-1.8111.9L916 E917 R922 S923L916-R920 PolarHBondContact O-N 3.38Å; E917-R920 PolarHBondContact O-N 2.64Å; R920-R922 PolarHBondContact O-N 3.49Å; R920-S923 PolarHBondContact O-N 2.88Å; R920-S923 VanDerWaalsContact O-N 3.08Å; R920-S923 PolarHBondContact O-OG 3.45Å
921N40.3Very low39.3Very low122 Ų122124 Ų12465%0.65267%0.67SS**THydrogen-bonded Turntrans-65.5-9.2-177.9-66.4-25.9000114E917E917-N921 PolarHBondContact O-N 3.17Å; E917-N921 PolarHBondContact O-ND2 2.68Å
922R40.8Very low38.7Very low170 Ų170128.6 Ų128.664%0.64268%0.676SS**THydrogen-bonded Turntrans-96.4-5.3176.9-67.8168-171.4-125.210.1114.3D918 R920D918-R922 VanDerWaalsContact O-CD 3.23Å; D918-R922 WeakPolarHBondContact O-CD 3.2Å; D918-R922 VanDerWaalsContact O-CG 3.24Å; D918-R922 WeakPolarHBondContact O-CG 3.42Å; D918-R922 PolarHBondContact O-NE 3.2Å; D918-R922 IonicContact OD1-CZ 3.62Å; D918-R922 IonicContact OD1-NE 3.05Å; D918-R922 PolarHBondContact OD1-NE 2.87Å; D918-R922 IonicContact OD1-NH2 3.31Å; D918-R922 PolarHBondContact OD1-NH2 2.83Å; D918-R922 IonicContact OD2-CZ 3.3Å; D918-R922 VanDerWaalsContact OD2-CZ 3.3Å; D918-R922 IonicContact OD2-NE 3.22Å; D918-R922 PolarHBondContact OD2-NE 3.12Å; D918-R922 IonicContact OD2-NH2 2.68Å; D918-R922 PolarHBondContact OD2-NH2 2.61Å; R920-R922 PolarHBondContact O-N 3.49Å
923S35.5Very low37.9Very low88 Ų88133.3 Ų133.362%0.61569%0.69SS**SBendtrans-85.5-20.1179.859.10000114.9R920R920-S923 PolarHBondContact O-N 2.88Å; R920-S923 VanDerWaalsContact O-N 3.08Å; R920-S923 PolarHBondContact O-OG 3.45Å
924D37.8Very low36.9Very low143 Ų143138 Ų13877%0.76571%0.708SS**SBendtrans-90.40.5-171.1-68.8-22.6000114.8
925V43.3Very low36Very low123 Ų123143.6 Ų143.675%0.74572%0.722SS**SBendtrans-13486.6178.3-171.10000111.9
926L32.5Very low35.1Very low174 Ų174144.9 Ų144.991%0.91174%0.737SS**  trans-169.7143.3138-104.5164.1000111.2
927A30.9Very low34Very low96 Ų96150.1 Ų150.179%0.79376%0.756SS**  trans-89.9166-172.400000114
928Q30.6Very low33.1Very low185 Ų185152.1 Ų152.186%0.86477%0.767SS**  trans-72.1153.4-173.3-55.8171.43.600114.2
929T27Very low32.2Very low142 Ų142154.6 Ų154.687%0.87179%0.789SS**  trans-160.3154.8134.512.20000109.6
930P35.3Very low31.6Very low110 Ų110159 Ų15971%0.71481%0.808SS**  trans-113150.5-140.239.3-35.2000117.3
931V27.2Very low31Very low141 Ų141158.4 Ų158.486%0.85581%0.813SS**  trans-106118.8159.6179.30000109.2R933V931-R933 PolarHBondContact O-N 2.91Å
932K29.5Very low31Very low199 Ų199157.5 Ų157.587%0.86581%0.814SS**  trans-79101.5179.8-74.8-178.3176.8176.20111.6
933R29Very low30.4Very low239 Ų239158.2 Ų158.290%0.90283%0.83SS**  trans-77.7131.6158-90-178.9168.9162.1-3.3110V931V931-R933 PolarHBondContact O-N 2.91Å
934L25.3Very low30Very low181 Ų181159.3 Ų159.395%0.94884%0.838SS**  trans-69.2128.6168-79.9160.2000109.8
935K26.2Very low29.5Very low199 Ų199159.2 Ų159.287%0.86584%0.842SS**  trans-105.2135.4164.9-88.9-168.9173-174.10109.3
936I25.5Very low28.8Very low167 Ų167157.9 Ų157.986%0.85684%0.838SS**  trans-64.5142.2167.2-63.9164.5000108.6
937K25.5Very low28.9Very low196 Ų196158.7 Ų158.785%0.85284%0.839SS**  trans-111.4138163.3-83.7-168.6171.9-170.60109.2
938M26.1Very low29Very low173 Ų173163.1 Ų163.185%0.85284%0.841SS**  trans-89.6156156.8-69.117362.800109.2
939S25.8Very low29.1Very low119 Ų119165.8 Ų165.883%0.83284%0.843SS**  trans-153135.1169.152.30000108.1
940E28.1Very low29Very low178 Ų178169.6 Ų169.683%0.83285%0.847SS**  trans-97.8138.4-170.4-66.1166.7137.900111.9
941E27.9Very low28.6Very low181 Ų181168.9 Ų168.985%0.84685%0.851SS**  trans61.2166.1150.5-71-155.2177.100121
942P41.3Very low28.7Very low104 Ų104171.7 Ų171.768%0.67585%0.848SS**  cis-132.7135.2-42.833.5-19000112.6
943L27.3Very low28.7Very low185 Ų185171.3 Ų171.397%0.96985%0.846SS**  trans-137.9125.2163.5-83.1176.4000111.5
944S28.4Very low28.9Very low111 Ų111164.1 Ų164.178%0.77683%0.83SS**  trans-91.2153.8173.565.80000111.1
945V27.6Very low29Very low141 Ų141166.9 Ų166.986%0.85583%0.828SS**  trans-173.6123.5135.1142.60000111.3
946S26.7Very low29Very low94 Ų94166.2 Ų166.266%0.65783%0.828SS**  trans16.6120.9155-158.10000121.5K948S946-K948 PolarHBondContact O-N 3.39Å
947M34.7Very low29.2Very low191 Ų191164.6 Ų164.694%0.94183%0.826SS**  trans-73.3111.1153.7-71.8-160.8-60.800111.7
948K34Very low29.5Very low190 Ų190163.5 Ų163.583%0.82683%0.829SS**  trans-143.5143.3152.9-72.4-165.2177.2177.60111.3S946S946-K948 PolarHBondContact O-N 3.39Å
949R32.1Very low29.6Very low241 Ų241161 Ų16191%0.90983%0.825SS**  trans67.167.8177.3-64-177.9170.2163.2-2.7117.1
950F26.1Very low29.8Very low221 Ų221160.7 Ų160.797%0.96982%0.824SS**  trans-99.2124.6131.3-96.1-94000108.2
951A25.9Very low29.7Very low95 Ų95156.3 Ų156.379%0.78583%0.826SS**  trans-126.797.7175.700000108.2K953A951-K953 PolarHBondContact O-N 3.36Å
952Y30.1Very low29.7Very low200 Ų200153.4 Ų153.478%0.78483%0.825SS**  trans-69.1125.6177.2175.6-107.4000109.9P954Y952-P954 HydrophobicContact CD1-CG 4.4Å; Y952-P954 HydrophobicContact CE1-CB 3.8Å; Y952-P954 HydrophobicContact CE1-CG 3.88Å
953K30.2Very low28.9Very low191 Ų191154.7 Ų154.783%0.8384%0.835SS**  trans-114.4105.2166.9-81-165.9171.3-168.20108.8A951A951-K953 PolarHBondContact O-N 3.36Å
954P31.8Very low28.9Very low89 Ų89154.4 Ų154.458%0.57883%0.829SS**PPolyproline II helixtrans-66.5155.6163.330.4-30.8000109Y952Y952-P954 HydrophobicContact CD1-CG 4.4Å; Y952-P954 HydrophobicContact CE1-CB 3.8Å; Y952-P954 HydrophobicContact CE1-CG 3.88Å
955R27.2Very low28.8Very low239 Ų239155.2 Ų155.290%0.90283%0.829SS**PPolyproline II helixtrans-100.1149.6172.2-138.5175.2-175.4175.90.5109.5
956E27.3Very low28.6Very low184 Ų184158.4 Ų158.486%0.8683%0.832SS**PPolyproline II helixtrans-71.6134.3-158.9-64.6135.1149.300114.1
957T30Very low28.6Very low134 Ų134160.5 Ų160.582%0.82284%0.841SS**PPolyproline II helixtrans-82.3128.8159.2480000109.3
958L30.4Very low28.1Very low172 Ų172156.4 Ų156.490%0.90183%0.831SS**PPolyproline II helixtrans-62.2136173.2-73.2164.5000110.5
959P29.5Very low27.7Very low120 Ų120152.4 Ų152.478%0.77983%0.827SS**PPolyproline II helixtrans-78.4142.5-168.330-35.5000113.5
960S30.2Very low27.4Very low114 Ų114148.2 Ų148.280%0.79782%0.822SS**PPolyproline II helixtrans-71.7121.1164.250.90000110.6S962S960-S962 PolarHBondContact O-N 2.97Å; S960-S962 VanDerWaalsContact O-N 3.16Å
961G26.4Very low27.3Very low85 Ų85144.3 Ų144.388%0.87682%0.82SS**  trans-75.698.7179.100000113.4
962S27.6Very low27.2Very low120 Ų120144.7 Ų144.784%0.83982%0.817SS**  trans-82.6124.4161.953.60000110S960S960-S962 PolarHBondContact O-N 2.97Å; S960-S962 VanDerWaalsContact O-N 3.16Å
963C24.5Very low27Very low131 Ų131140.2 Ų140.289%0.88582%0.815SS**  trans-115.897-176.1-169.20000111.6
964E25.5Very low26.8Very low179 Ų179135.8 Ų135.884%0.83681%0.808SS**  trans-140.3160.9161.7-78.9-163.1149.500110
965T26.4Very low26.4Very low128 Ų128143 Ų14379%0.78582%0.824SS**  trans54.976175.7570000118.3
966F24.9Very low26.3Very low208 Ų208137.3 Ų137.391%0.91282%0.821SS**  trans-130.8106.9132.1-111.5-84.6000110.3
967V26.4Very low26.3Very low138 Ų138132 Ų13284%0.83681%0.808SS**  trans-126.8102.4177.41780000109.1
968S24.6Very low26.1Very low105 Ų105134.6 Ų134.673%0.73481%0.811SS**  trans177.4161.315446.70000110.5
969S24.8Very low25.9Very low106 Ų106130.9 Ų130.974%0.74181%0.805SS**  trans55.883.4171.7-175.90000115.6
970L25.4Very low25.8Very low154 Ų154128.4 Ų128.481%0.80680%0.801SS**  -165.2124.882.6-93.7156.1000111.5
971C23.8Very low25.7Very low139 Ų139130.8 Ų130.894%0.93981%0.805SS**  trans-124.9100.5171.5-750000111.8
972S25Very low25.7Very low102 Ų102129.5 Ų129.571%0.71379%0.792SS**  trans-162.7133.3165.552.70000108
973S25.5Very low25.7Very low106 Ų106134 Ų13474%0.74179%0.792SS**  cis-164.3170.71.549.20000110.4
974S25Very low25.9Very low99 Ų99136.4 Ų136.469%0.69279%0.787SS**  trans51.4109.7159.450.10000118.9
975R24.6Very low26Very low239 Ų239132.9 Ų132.990%0.90278%0.782SS**  74.613664.8-76.2-170.5168.1-174.1-2.6116.3
976S24.2Very low26.2Very low120 Ų120130.7 Ų130.784%0.83978%0.777SS**  trans74.6151.8158.573.20000119
977A26.6Very low26.2Very low72 Ų72127.5 Ų127.560%0.59577%0.77SS**  cis-172165.1-27.300000110.8
978H26.8Very low26.2Very low189 Ų189127.8 Ų127.888%0.87576%0.763SS**  trans67.7151.2161-62.6-53.1000118
979A27Very low26.2Very low95 Ų95130 Ų13079%0.78576%0.762SS**  cis-155.8173.4-11.600000112.5
980G25.8Very low26.3Very low67 Ų67131.7 Ų131.769%0.69176%0.762SS**  trans-16.6175.7165.800000122.7
981N27.9Very low26.3Very low164 Ų164131.1 Ų131.188%0.87777%0.765SS**  cis-147.2168.28.7-80.8-30.1000108.1
982G26.6Very low26.5Very low58 Ų58128.7 Ų128.760%0.59876%0.755SS**  cis155.9167.5-2.200000111.3
983Y29.4Very low26.6Very low216 Ų216131.7 Ų131.785%0.84776%0.758SS**  trans69.3147173.6-59.3-74.3000117
984K28.3Very low26.8Very low181 Ų181133.1 Ų133.179%0.78775%0.753SS**  cis-150.4150.811.1-133.5173.1-171.2-178.70112.1
985S26.8Very low26.8Very low104 Ų104138.1 Ų138.173%0.72776%0.758SS**  trans0.6147.1150.856.50000120.7
986A30Very low26.9Very low82 Ų82130.6 Ų130.668%0.67875%0.747SS**  cis-172.5-158.8-8.200000107.6
987D25.1Very low27Very low142 Ų142133.9 Ų133.976%0.75975%0.749SS**  cis-161.7-167.96.1-137.2-43.4000113.1
988M26.7Very low27.1Very low143 Ų143138.1 Ų138.170%0.70476%0.761SS**  trans-35.4161.2162.2-81.1161.558.500117.9
989E25.7Very low27.7Very low151 Ų151134.3 Ų134.371%0.70675%0.753SS**  cis-154.9-179.324.8-139.5168.9179.200115.7
990L25.7Very low27.6Very low143 Ų143136.5 Ų136.575%0.74975%0.751SS**  trans-40.7165.4170.8-60.8160.4000116
991T26.9Very low27.7Very low141 Ų141139.2 Ų139.287%0.86575%0.754SS**  -157.9-179.754.947.10000115.2
992A27.2Very low27.5Very low88 Ų88137.8 Ų137.873%0.72775%0.751SS**  trans-129.8-164.1173.500000110.9
993E28Very low27.5Very low166 Ų166140.3 Ų140.378%0.77676%0.758SS**  trans76.6149.9171.5-60.4179.3-160.600116.1
994H27.8Very low27.3Very low135 Ų135137.3 Ų137.363%0.62576%0.756SS**  cis-162.2154.6-8.6-115.4-19.4000113.7
995Y26.2Very low27.1Very low204 Ų204137 Ų13780%0.876%0.757SS**  trans55.5165.3146.7-80.1-65.6000125.3
996A26.3Very low27.1Very low81 Ų81138.6 Ų138.667%0.66976%0.758SS**  trans75.2140.4166.600000118
997E26.6Very low26.9Very low190 Ų190144.3 Ų144.389%0.88877%0.768SS**  cis-157.4163.9-11.5-123.6162.1-162.600110.9
998L28.3Very low26.9Very low160 Ų160142.2 Ų142.284%0.83876%0.757SS**  trans-99.4156.2166.7-79.6166.8000109.3
999P38.6Very low26.9Very low110 Ų110144.8 Ų144.871%0.71476%0.758SS**  -146.8154.8100.737.9-22.7000116.6
1000D26.4Very low26.8Very low141 Ų141144.2 Ų144.275%0.75476%0.76SS**  trans40.9111.5138.3-56.9-16.6000120.2
1001V27.2Very low26.8Very low123 Ų123146.9 Ų146.975%0.74577%0.766SS**  73.3106.177.4173.30000114.1
1002V24.4Very low26.8Very low134 Ų134145.5 Ų145.581%0.81276%0.762SS**  trans-138.1126.8135.9179.80000107.5
1003C25.3Very low26.9Very low111 Ų111146.5 Ų146.575%0.7576%0.761SS**  trans-119.4132.9167.2-70.30000109.7
1004L25.2Very low26.7Very low154 Ų154143 Ų14381%0.80676%0.755SS**  trans-141.8118.2158.5-71.4174.8000103.1
1005E25.3Very low26.8Very low174 Ų174142.2 Ų142.281%0.81376%0.764SS**  50.8133.258.6-65.1-169.8-175.200113.4
1006D26.3Very low26.7Very low137 Ų137140.6 Ų140.673%0.73377%0.769SS**  cis-166.8147.6-29.2-153-19000105.3
1007F25.6Very low26.6Very low203 Ų203145.8 Ų145.889%0.8978%0.779SS**  trans-172.374.3160.3-103.1-59.2000114.7
1008D25.5Very low26.5Very low98 Ų98144.4 Ų144.452%0.52478%0.776SS.*  66.9144116.1-150.29.1000122.6
1009R26.1Very low26.3Very low197 Ų197141.7 Ų141.774%0.74377%0.768SS**  trans73.898.6161.2-85.7161.3-121.4-120.8-10.9123
1010D24.2Very low25.6Very low138 Ų138141.8 Ų141.874%0.73877%0.771SS**  49.3111.5109.1-67.1-28.1000120.7
1011K24.6Very low25.3Very low200 Ų200140.4 Ų140.487%0.8777%0.768SS**  -170.1133.399.3-99.2152.6-172.31680112.8
1012S27.2Very low25.1Very low112 Ų112140.5 Ų140.578%0.78377%0.769SS**  trans-81.7155.4146.463.80000108.7
1013P30.3Very low25Very low109 Ų109143.1 Ų143.171%0.70877%0.769SS**  -148.8161.397.840.7-25.7000116.1
1014S22.9Very low24.8Very low93 Ų93144.7 Ų144.765%0.6577%0.771SS**  trans39.7110.714564.80000120.9
1015S29.7Very low24.9Very low117 Ų117144 Ų14482%0.81877%0.767SS**  trans28.1103.3130.260.90000118.7
1016L24.9Very low24.9Very low171 Ų171139.6 Ų139.690%0.89577%0.768SS**PPolyproline II helixtrans-103.3129.4157.7-92.4161.5000110.1
1017Q23.6Very low24.8Very low189 Ų189139.2 Ų139.288%0.88377%0.766SS**PPolyproline II helixtrans-70.9130.6172.8-68.5174.4-4100109.5P1019Q1017-P1019 WeakPolarHBondContact O-CD 3.36Å
1018I26Very low25Very low162 Ų162136.8 Ų136.883%0.83176%0.757SS**PPolyproline II helixtrans-74.1118172.2-58.2172.7000107.8S1020I1018-S1020 PolarHBondContact O-N 3.47Å
1019P23.3Very low25.4Very low103 Ų103141.2 Ų141.267%0.66977%0.767SS**PPolyproline II helixtrans-70.1131174.329.2-33.2000109.7Q1017 V1021Q1017-P1019 WeakPolarHBondContact O-CD 3.36Å; P1019-V1021 PolarHBondContact O-N 2.89Å
1020S22.8Very low25.3Very low111 Ų111139.3 Ų139.378%0.77677%0.772SS**  trans-71.596.9176.555.30000110.7I1018 T1022I1018-S1020 PolarHBondContact O-N 3.47Å; S1020-T1022 PolarHBondContact O-N 3.15Å; S1020-T1022 VanDerWaalsContact O-N 3.11Å
1021V22.1Very low25.4Very low112 Ų112138.9 Ų138.968%0.67977%0.769SS**  trans-75.496.8175.5-177.90000109.8P1019P1019-V1021 PolarHBondContact O-N 2.89Å
1022T21.2Very low25.7Very low125 Ų125140.6 Ų140.677%0.76777%0.77SS**  trans-73.4120.2164.638.40000110S1020 D1024S1020-T1022 PolarHBondContact O-N 3.15Å; S1020-T1022 VanDerWaalsContact O-N 3.11Å; T1022-D1024 PolarHBondContact O-N 3.25Å; T1022-D1024 VanDerWaalsContact O-N 3.16Å
1023F23.1Very low25.6Very low189 Ų189145.9 Ų145.983%0.82977%0.773SS**  trans-71.6102.8171.3-73.7-92.6000110.3
1024D21.9Very low25.4Very low145 Ų145147.8 Ų147.878%0.77578%0.777SS**  trans-91.2105.3173.9-165.815.2000109.8T1022 G1026T1022-D1024 PolarHBondContact O-N 3.25Å; T1022-D1024 VanDerWaalsContact O-N 3.16Å; D1024-G1026 PolarHBondContact O-N 2.88Å
1025L27.4Very low25.5Very low140 Ų140153.5 Ų153.573%0.73379%0.791SS**  trans-81.6115.9179.3-70.5170.4000109N1027L1025-N1027 PolarHBondContact O-N 3.04Å; L1025-N1027 VanDerWaalsContact O-N 3.15Å; L1025-N1027 PolarHBondContact O-ND2 3.31Å
1026G23.9Very low25.4Very low81 Ų81155.6 Ų155.684%0.83579%0.793SS**  trans-54.8114-168.600000114.9D1024D1024-G1026 PolarHBondContact O-N 2.88Å
1027N25.8Very low25.6Very low129 Ų129155.7 Ų155.769%0.6979%0.794SS**  trans-91.4114.3179-63.2-60.9000111.8L1025L1025-N1027 PolarHBondContact O-N 3.04Å; L1025-N1027 VanDerWaalsContact O-N 3.15Å; L1025-N1027 PolarHBondContact O-ND2 3.31Å
1028E28.9Very low25.7Very low151 Ų151155 Ų15571%0.70679%0.791SS**  trans-96.550.8163.1-67.8-163.8116.600111.3G669G669-E1028 WeakPolarHBondContact CA-OE1 3.49Å
1029W33.6Very low25.9Very low192 Ų192155 Ų15573%0.72779%0.793SS**  trans-133.863.3-170.6-71.762.7000111.8F605F605-W1029 AromaticContact CE2-CH2 3.75Å; F605-W1029 HydrophobicContact CE2-CH2 3.75Å; F605-W1029 HydrophobicContact CE2-CZ2 4.35Å; F605-W1029 HydrophobicContact CZ-CH2 4.18Å
1030D23.8Very low26.1Very low157 Ų157157.8 Ų157.884%0.8480%0.801SS**  trans-134.1155.5169.9-96.7-47.6000110.2
1031D27.6Very low26.3Very low129 Ų129160.3 Ų160.369%0.6981%0.805SS**  trans61.4133.2-164.3-48.4-38.2000113.5
1032W30.2Very low26.6Very low236 Ų236163 Ų16389%0.89482%0.815SS**  cis-138.5161.622.7-74.874.6000112.3
1033R24.5Very low26.9Very low222 Ų222161.5 Ų161.584%0.83882%0.816SS**  trans-106.1175.6162.3-67.5-174.7179.9175.41.7110.6
1034D25.7Very low27.1Very low150 Ų150158 Ų15880%0.80282%0.815SS**  trans73.1115167.7-48.8-22.5000116.6
1035F26.2Very low27.4Very low213 Ų213159.6 Ų159.693%0.93482%0.818SS**  trans-156.2129.5161.2-116.9-78.7000109
1036D26.1Very low27.4Very low160 Ų160159.5 Ų159.586%0.85682%0.823SS**  trans-82.7142.9-174.5-64.6-66.4000113.7E1038D1036-E1038 PolarHBondContact O-N 3.22Å
1037D30Very low27.7Very low174 Ų174165 Ų16593%0.9385%0.85SS**  trans-90.253.9-176.1-106.6-31.5000112.9
1038E26.6Very low27.8Very low174 Ų174166.9 Ų166.981%0.81386%0.858SS**  trans-130.599.5166.8-78.3-156.6171.300112.7D1036D1036-E1038 PolarHBondContact O-N 3.22Å
1039N28.5Very low27.7Very low163 Ų163167.7 Ų167.787%0.87287%0.866SS**SBendtrans166.869.4143.6-97.5-74.9000111.3
1040L28.3Very low27.4Very low161 Ų161166.3 Ų166.384%0.84387%0.873SS**  trans-155.933.3168.5-118.2168.6000115.4
1041L28.1Very low27.6Very low164 Ų164166.9 Ų166.986%0.85988%0.875SS**  trans-106.7138.7160.5-71.6168.3000108
1042N28Very low27.6Very low167 Ų167169.3 Ų169.389%0.89389%0.887SS**SBendtrans97.257.4-171.3-55.3-20.1000116.2
1043A27.7Very low27.4Very low95 Ų95164.8 Ų164.879%0.78589%0.886SS**  trans-151.345.316500000111.6
1044S27.6Very low27.6Very low116 Ų116160.7 Ų160.781%0.81189%0.89SS**  trans-142.140.9-17463.20000113
1045E26.9Very low27.8Very low177 Ų177161.5 Ų161.583%0.82790%0.896SS**  trans-145.9148.3170.9-113.3170.1-148.800109.9
1046T28.3Very low27.9Very low138 Ų138157.3 Ų157.385%0.84789%0.893SS**  trans72.5131.1-172.968.90000117.7
1047S29.3Very low28.1Very low198 Ų198157 Ų157100%1.38590%0.897SS**  trans49.20176730000118.5

Retrieved 1,047 of 1,047 residues in 356.3 ms (Link to these results)

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