A0A3Q0KP61_SCHMA Loading...

XPG_I_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KP61, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 791 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
1M53.6Low81.6Confident98 Ų9840.4 Ų40.448%0.48321%0.209SC..  0128.30-70.1-177.6-176.700105.6R77 S162 D244M1-R77 VanDerWaalsContact CE-NH1 3.35Å; M1-R77 PolarHBondContact SD-NH1 2.74Å; M1-S162 PolarHBondContact O-OG 3.06Å; M1-D244 WeakPolarHBondContact CA-OD2 3.28Å; M1-D244 WeakPolarHBondContact CB-OD2 3.34Å; M1-D244 VanDerWaalsContact CG-OD2 3.24Å; M1-D244 WeakPolarHBondContact CG-OD2 3.29Å
2T72.9Confident81.9Confident26 Ų2645.8 Ų45.816%0.1623%0.233CC..  trans-175151.5-157.942.10000111.5L4 S163T2-L4 PolarHBondContact O-N 2.87Å; T2-S163 WeakPolarHBondContact CA-OG 3.35Å; T2-S163 WeakPolarHBondContact CB-OG 3.26Å; T2-S163 VanDerWaalsContact CG2-N 3.28Å; T2-S163 WeakPolarHBondContact CG2-OG 3.49Å
3V81.1Confident82.1Confident0 Ų045.8 Ų45.80%024%0.239CC..SBendtrans-49.8121.7149.6-1720000109.7G5 L6 S163 D164 I167 A238 L241 F317V3-G5 PolarHBondContact O-N 2.97Å; V3-G5 VanDerWaalsContact O-N 3.16Å; V3-L6 HydrophobicContact CB-CB 3.96Å; V3-L6 HydrophobicContact CB-CD2 3.98Å; V3-L6 HydrophobicContact CG1-CB 3.83Å; V3-L6 HydrophobicContact CG1-CD2 4.04Å; V3-L6 HydrophobicContact CG2-CD2 4.23Å; V3-S163 PolarHBondContact N-OG 3.4Å; V3-S163 PolarHBondContact O-OG 2.96Å; V3-D164 PolarHBondContact N-OD1 3.21Å; V3-I167 HydrophobicContact CG2-CG1 4.19Å; V3-A238 HydrophobicContact CG2-CB 3.87Å; V3-L241 HydrophobicContact CG1-CB 3.88Å; V3-L241 HydrophobicContact CG1-CD1 3.89Å; V3-F317 HydrophobicContact CG2-CE1 4.49Å; V3-F317 HydrophobicContact CG2-CZ 3.99Å
4L79.6Confident82.3Confident63 Ų6356 Ų5633%0.3328%0.282SS..THydrogen-bonded Turntrans-68.4116.8-168.4-62.9177.2000111.7T2 L6 Y89 G242T2-L4 PolarHBondContact O-N 2.87Å; L4-L6 PolarHBondContact O-N 2.93Å; L4-Y89 HydrophobicContact CD2-CE2 3.92Å; L4-G242 PolarHBondContact N-O 2.83Å
5G82.4Confident82.7Confident22 Ų2256.3 Ų56.323%0.22730%0.296CS..THydrogen-bonded Turntrans77.9-5.9172.900000115.7V3 D7 K8 I9V3-G5 PolarHBondContact O-N 2.97Å; V3-G5 VanDerWaalsContact O-N 3.16Å; G5-D7 VanDerWaalsContact C-N 3.26Å; G5-D7 VanDerWaalsContact C-OD1 3.24Å; G5-D7 WeakPolarHBondContact CA-OD1 3.48Å; G5-D7 PolarHBondContact O-N 3.01Å; G5-K8 PolarHBondContact O-N 2.88Å; G5-K8 VanDerWaalsContact O-N 3.12Å; G5-I9 WeakPolarHBondContact O-CG1 3.46Å; G5-I9 PolarHBondContact O-N 3.07Å
6L89.1Confident83.2Confident2 Ų252.8 Ų52.81%0.0128%0.277CS..Hα-helixtrans-57-41.3-180177.262000112.2V3 L4 K8 I9 L10 Y166 I167 L226 L273V3-L6 HydrophobicContact CB-CB 3.96Å; V3-L6 HydrophobicContact CB-CD2 3.98Å; V3-L6 HydrophobicContact CG1-CB 3.83Å; V3-L6 HydrophobicContact CG1-CD2 4.04Å; V3-L6 HydrophobicContact CG2-CD2 4.23Å; L4-L6 PolarHBondContact O-N 2.93Å; L6-K8 PolarHBondContact O-N 3.2Å; L6-I9 PolarHBondContact O-N 3.21Å; L6-L10 HydrophobicContact CD1-CD1 3.93Å; L6-L10 HydrophobicContact CD1-CG 4.06Å; L6-L10 HydrophobicContact CD2-CD1 4.49Å; L6-L10 HydrophobicContact CG-CD1 3.9Å; L6-L10 HydrophobicContact CG-CG 4.39Å; L6-L10 WeakPolarHBondContact O-CG 3.39Å; L6-L10 PolarHBondContact O-N 3.25Å; L6-Y166 HydrophobicContact CD2-CD2 4.47Å; L6-Y166 HydrophobicContact CG-CD2 4.48Å; L6-I167 HydrophobicContact CD2-CD1 3.75Å; L6-I167 HydrophobicContact CD2-CG1 3.95Å; L6-L226 HydrophobicContact CD1-CD2 4.22Å; L6-L273 HydrophobicContact CD1-CD2 4.25Å
7D87.8Confident83.8Confident13 Ų1351.2 Ų51.27%0.0727%0.267CS..Hα-helixtrans-54.8-48.1174.861.9-36.2000112.6G5 I9 L10 L11 Y166 R193G5-D7 VanDerWaalsContact C-N 3.26Å; G5-D7 VanDerWaalsContact C-OD1 3.24Å; G5-D7 WeakPolarHBondContact CA-OD1 3.48Å; G5-D7 PolarHBondContact O-N 3.01Å; D7-I9 VanDerWaalsContact C-N 3.27Å; D7-I9 PolarHBondContact O-N 3.2Å; D7-L10 PolarHBondContact O-N 3Å; D7-L11 WeakPolarHBondContact O-CB 3.45Å; D7-L11 WeakPolarHBondContact O-CD1 3.48Å; D7-L11 WeakPolarHBondContact O-CG 3.36Å; D7-L11 PolarHBondContact O-N 3.49Å; D7-Y166 HydrophobicContact CB-CE2 4.16Å; D7-R193 IonicContact OD2-CZ 3.17Å; D7-R193 IonicContact OD2-NH1 3.56Å; D7-R193 PolarHBondContact OD2-NH1 2.97Å; D7-R193 IonicContact OD2-NH2 2.66Å; D7-R193 PolarHBondContact OD2-NH2 2.99Å
8K86.3Confident84.4Confident141 Ų14153 Ų5361%0.61327%0.274SS*.Hα-helixtrans-63.5-36.6179.4-66.1-177-179.6-179.20111.5G5 L6 E12G5-K8 PolarHBondContact O-N 2.88Å; G5-K8 VanDerWaalsContact O-N 3.12Å; L6-K8 PolarHBondContact O-N 3.2Å; K8-E12 WeakPolarHBondContact O-CG 3.34Å
9I88Confident84.9Confident21 Ų2153.8 Ų53.811%0.10828%0.283CS..Hα-helixtrans-67.9-48.4179.3-56.9171.3000110.5G5 L6 D7 E12 A269 Q270 L273G5-I9 WeakPolarHBondContact O-CG1 3.46Å; G5-I9 PolarHBondContact O-N 3.07Å; L6-I9 PolarHBondContact O-N 3.21Å; D7-I9 VanDerWaalsContact C-N 3.27Å; D7-I9 PolarHBondContact O-N 3.2Å; I9-E12 PolarHBondContact O-N 3.27Å; I9-A269 HydrophobicContact CD1-CB 4.15Å; I9-Q270 HydrophobicContact CB-CG 4.26Å; I9-Q270 HydrophobicContact CD1-CG 4.1Å; I9-Q270 HydrophobicContact CG1-CG 3.59Å; I9-Q270 HydrophobicContact CG2-CG 3.96Å; I9-L273 HydrophobicContact CD1-CB 4.22Å; I9-L273 HydrophobicContact CD1-CD2 4.01Å; I9-L273 HydrophobicContact CG2-CD2 3.89Å
10L89.5Confident85.4Confident3 Ų353.6 Ų53.62%0.01628%0.28CS..Hα-helixtrans-69.3-35.4-176.3-66.9175000112.3L6 D7 E12 S13 W17 Y166 F219 I225 L226L6-L10 HydrophobicContact CD1-CD1 3.93Å; L6-L10 HydrophobicContact CD1-CG 4.06Å; L6-L10 HydrophobicContact CD2-CD1 4.49Å; L6-L10 HydrophobicContact CG-CD1 3.9Å; L6-L10 HydrophobicContact CG-CG 4.39Å; L6-L10 WeakPolarHBondContact O-CG 3.39Å; L6-L10 PolarHBondContact O-N 3.25Å; D7-L10 PolarHBondContact O-N 3Å; L10-E12 PolarHBondContact O-N 2.97Å; L10-S13 PolarHBondContact O-N 3.16Å; L10-S13 VanDerWaalsContact O-N 3.12Å; L10-W17 HydrophobicContact CB-CZ2 4.07Å; L10-W17 WeakPolarHBondContact O-CZ2 3.46Å; L10-W17 PolarHBondContact O-NE1 3.13Å; L10-Y166 HydrophobicContact CD1-CD1 3.7Å; L10-Y166 HydrophobicContact CD1-CD2 3.57Å; L10-Y166 HydrophobicContact CD1-CE1 4.29Å; L10-Y166 HydrophobicContact CD1-CE2 4.17Å; L10-Y166 HydrophobicContact CD1-CG 3.32Å; L10-F219 HydrophobicContact CD1-CE2 4.28Å; L10-F219 HydrophobicContact CD1-CZ 4.32Å; L10-I225 HydrophobicContact CD2-CG2 4.03Å; L10-L226 HydrophobicContact CD1-CD1 4.1Å; L10-L226 HydrophobicContact CD2-CG 4.4Å
11L87.1Confident85.8Confident55 Ų5557.5 Ų57.529%0.28830%0.295SS..Hα-helixtrans-66.9-18.7177.9-71.7169.5000113.3D7 S13 W17 L194D7-L11 WeakPolarHBondContact O-CB 3.45Å; D7-L11 WeakPolarHBondContact O-CD1 3.48Å; D7-L11 WeakPolarHBondContact O-CG 3.36Å; D7-L11 PolarHBondContact O-N 3.49Å; L11-S13 VanDerWaalsContact C-N 3.3Å; L11-W17 HydrophobicContact CD2-CH2 4.07Å; L11-W17 HydrophobicContact CD2-CZ2 3.74Å; L11-W17 HydrophobicContact CG-CZ2 4.23Å; L11-L194 HydrophobicContact CD2-CD1 3.86Å; L11-L194 HydrophobicContact CD2-CD2 4.01Å; L11-L194 HydrophobicContact CD2-CG 4Å
12E85.7Confident87.8Confident106 Ų10652.9 Ų52.950%0.49527%0.272SS..THydrogen-bonded Turntrans-77-16.2174.1-71179.5-163.600112.5K8 I9 L10 K267 Q270K8-E12 WeakPolarHBondContact O-CG 3.34Å; I9-E12 PolarHBondContact O-N 3.27Å; L10-E12 PolarHBondContact O-N 2.97Å; E12-K267 IonicContact OE1-NZ 2.74Å; E12-K267 PolarHBondContact OE1-NZ 3.2Å; E12-Q270 VanDerWaalsContact CD-NE2 3.34Å; E12-Q270 PolarHBondContact OE2-NE2 3.07Å
13S84.7Confident88.8Confident45 Ų4554 Ų5432%0.31527%0.274SS..  trans-94.2107.1179.7174.10000111.8L10 L11 A15 S16 W17L10-S13 PolarHBondContact O-N 3.16Å; L10-S13 VanDerWaalsContact O-N 3.12Å; L11-S13 VanDerWaalsContact C-N 3.3Å; S13-A15 VanDerWaalsContact C-N 3.33Å; S13-A15 PolarHBondContact O-N 3.31Å; S13-S16 PolarHBondContact O-N 3.16Å; S13-S16 PolarHBondContact OG-OG 3.08Å; S13-W17 PolarHBondContact O-NE1 3.19Å
14F84.9Confident89.5Confident189 Ų18958.4 Ų58.483%0.82930%0.298SS*.G310 helixtrans-63-36.3178.2-173.8-98.4000113.2S16 W17F14-S16 PolarHBondContact O-N 2.93Å; F14-S16 VanDerWaalsContact O-N 3.11Å; F14-W17 PolarHBondContact O-N 2.63Å
15A88.1Confident90.3Very high60 Ų6057.5 Ų57.550%0.49630%0.295SS..G310 helixtrans-65-17.5-175.500000114.1S13 W17 L223S13-A15 VanDerWaalsContact C-N 3.33Å; S13-A15 PolarHBondContact O-N 3.31Å; A15-W17 VanDerWaalsContact C-N 3.27Å; A15-W17 PolarHBondContact O-N 3.22Å; A15-L223 WeakPolarHBondContact O-CB 3.15Å; A15-L223 WeakPolarHBondContact O-CD1 3.19Å
16S90.4Very high90.9Very high0 Ų059.3 Ų59.30%030%0.297CS..G310 helixtrans-875.6-177.4-49.70000113.3S13 F14 I220 L223 S224S13-S16 PolarHBondContact O-N 3.16Å; S13-S16 PolarHBondContact OG-OG 3.08Å; F14-S16 PolarHBondContact O-N 2.93Å; F14-S16 VanDerWaalsContact O-N 3.11Å; S16-I220 PolarHBondContact O-N 3.33Å; S16-L223 PolarHBondContact OG-O 3.38Å; S16-S224 WeakPolarHBondContact OG-CA 3.35Å
17W94Very high91.3Very high26 Ų2659.2 Ų59.210%0.09830%0.296CS..EExtended strand (participates in β ladder)trans-133.7144.3-174.5-44.6100.4000112L10 L11 S13 F14 A15 Y166 P191 L194 H217 K218 F219L10-W17 HydrophobicContact CB-CZ2 4.07Å; L10-W17 WeakPolarHBondContact O-CZ2 3.46Å; L10-W17 PolarHBondContact O-NE1 3.13Å; L11-W17 HydrophobicContact CD2-CH2 4.07Å; L11-W17 HydrophobicContact CD2-CZ2 3.74Å; L11-W17 HydrophobicContact CG-CZ2 4.23Å; S13-W17 PolarHBondContact O-NE1 3.19Å; F14-W17 PolarHBondContact O-N 2.63Å; A15-W17 VanDerWaalsContact C-N 3.27Å; A15-W17 PolarHBondContact O-N 3.22Å; W17-Y166 HydrophobicContact CH2-CD1 4.43Å; W17-Y166 AromaticContact CH2-CE1 3.42Å; W17-Y166 HydrophobicContact CH2-CE1 3.42Å; W17-Y166 VanDerWaalsContact CH2-CE1 3.42Å; W17-Y166 AromaticContact CH2-CZ 3.78Å; W17-Y166 AromaticContact CZ3-CE1 3.9Å; W17-Y166 HydrophobicContact CZ3-CE1 3.9Å; W17-P191 HydrophobicContact CE3-CG 4.3Å; W17-P191 HydrophobicContact CZ3-CG 3.78Å; W17-L194 HydrophobicContact CD2-CD1 3.63Å; W17-L194 HydrophobicContact CE3-CD1 3.55Å; W17-L194 HydrophobicContact CG-CD1 4.09Å; W17-L194 HydrophobicContact CH2-CD1 4.46Å; W17-L194 HydrophobicContact CZ3-CD1 4Å; W17-H217 HydrophobicContact CB-CB 4.43Å; W17-K218 WeakPolarHBondContact CA-O 3.43Å; W17-F219 HydrophobicContact CE3-CB 4.15Å; W17-F219 HydrophobicContact CE3-CD2 4.11Å; W17-F219 AromaticContact CH2-CD2 3.73Å; W17-F219 HydrophobicContact CH2-CD2 3.73Å; W17-F219 HydrophobicContact CH2-CE2 4.42Å; W17-F219 HydrophobicContact CH2-CG 4.49Å; W17-F219 HydrophobicContact CZ2-CD2 4.34Å; W17-F219 HydrophobicContact CZ3-CB 3.69Å; W17-F219 AromaticContact CZ3-CD2 3.59Å; W17-F219 HydrophobicContact CZ3-CD2 3.59Å; W17-F219 HydrophobicContact CZ3-CG 4.05Å
18E93.9Very high91.8Very high84 Ų8458.6 Ų58.639%0.39329%0.293SS..EExtended strand (participates in β ladder)trans-140.5141.7173.3179.4-165.1146.100109.5F20 H217 K218 I220E18-F20 PolarHBondContact O-N 3.04Å; E18-H217 CarbonylContact O-C 3.4Å; E18-H217 VanDerWaalsContact O-CA 3.24Å; E18-H217 WeakPolarHBondContact O-CA 3.31Å; E18-K218 HydrophobicContact CB-CG 4.24Å; E18-K218 PolarHBondContact N-O 3.4Å; E18-K218 PolarHBondContact O-N 3.29Å; E18-K218 WeakPolarHBondContact OE1-CE 3.49Å; E18-K218 IonicContact OE1-NZ 2.88Å; E18-K218 PolarHBondContact OE1-NZ 3.36Å; E18-K218 WeakPolarHBondContact OE2-CE 3.37Å; E18-K218 IonicContact OE2-NZ 2.78Å; E18-K218 PolarHBondContact OE2-NZ 3.29Å; E18-I220 HydrophobicContact CB-CD1 3.66Å; E18-I220 HydrophobicContact CB-CG1 4.42Å
19P94.4Very high92.3Very high68 Ų6851.9 Ų51.944%0.44226%0.264SS..EExtended strand (participates in β ladder)trans-52.8137.1170.4-26.436.1000112L215 F216P19-L215 HydrophobicContact CB-CD1 4.08Å; P19-F216 CarbonylContact C-O 3.49Å
20F94.5Very high92.8Very high50 Ų5051 Ų5122%0.21926%0.259CS..EExtended strand (participates in β ladder)trans-136.6120.9177.6-176.1-92.3000109.4E18 L22 P157 T188 L190 F216 K218E18-F20 PolarHBondContact O-N 3.04Å; F20-L22 HydrophobicContact CD1-CB 4.24Å; F20-L22 HydrophobicContact CE1-CB 4.03Å; F20-L22 HydrophobicContact CE1-CD1 3.85Å; F20-P157 HydrophobicContact CE1-CG 4.25Å; F20-P157 HydrophobicContact CZ-CG 4.08Å; F20-T188 HydrophobicContact CD2-CG2 4.45Å; F20-T188 HydrophobicContact CE2-CG2 4.46Å; F20-L190 HydrophobicContact CB-CD2 4.11Å; F20-L190 HydrophobicContact CD1-CD1 3.95Å; F20-L190 HydrophobicContact CD1-CD2 3.59Å; F20-L190 HydrophobicContact CD1-CG 4.44Å; F20-L190 HydrophobicContact CE1-CD1 3.99Å; F20-L190 HydrophobicContact CE1-CD2 4.2Å; F20-L190 HydrophobicContact CG-CD2 3.91Å; F20-F216 PolarHBondContact N-O 2.76Å; F20-F216 PolarHBondContact O-N 2.99Å; F20-K218 HydrophobicContact CB-CB 4.04Å; F20-K218 HydrophobicContact CB-CD 4.37Å; F20-K218 HydrophobicContact CB-CG 4.22Å; F20-K218 HydrophobicContact CD2-CD 3.94Å; F20-K218 HydrophobicContact CG-CB 4.46Å
21F94Very high93.1Very high136 Ų13650.9 Ų50.960%0.59626%0.258SS*.EExtended strand (participates in β ladder)trans-93.6102.8176.8-65.9-82.8000108.9K23 A213 L215F21-K23 PolarHBondContact O-N 3.16Å; F21-A213 HydrophobicContact CB-CB 3.93Å; F21-A213 HydrophobicContact CD1-CB 4.29Å; F21-L215 HydrophobicContact CD1-CB 4.45Å; F21-L215 HydrophobicContact CD1-CD1 4.12Å; F21-L215 HydrophobicContact CE1-CB 4.35Å; F21-L215 HydrophobicContact CE1-CD1 3.81Å; F21-L215 HydrophobicContact CE2-CD1 4.39Å; F21-L215 HydrophobicContact CZ-CD1 3.96Å
22L94.7Very high93.5Very high0 Ų049.9 Ų49.90%025%0.254CS..EExtended strand (participates in β ladder)trans-76.3114.2179.3-178.173.6000109.6F20 T25 L65 V70 P157 I159 L190 M214 F216F20-L22 HydrophobicContact CD1-CB 4.24Å; F20-L22 HydrophobicContact CE1-CB 4.03Å; F20-L22 HydrophobicContact CE1-CD1 3.85Å; L22-T25 HydrophobicContact CD1-CG2 3.47Å; L22-T25 VanDerWaalsContact CD1-CG2 3.47Å; L22-T25 HydrophobicContact CG-CG2 4.42Å; L22-L65 HydrophobicContact CD2-CD2 4.19Å; L22-V70 HydrophobicContact CD2-CG1 4.18Å; L22-V70 HydrophobicContact CD2-CG2 4.19Å; L22-V70 HydrophobicContact CG-CG1 4.39Å; L22-V70 HydrophobicContact CG-CG2 3.81Å; L22-P157 HydrophobicContact CD1-CG 4.25Å; L22-I159 HydrophobicContact CD2-CD1 4.04Å; L22-L190 HydrophobicContact CD1-CD1 3.96Å; L22-L190 HydrophobicContact CD2-CD1 4.42Å; L22-M214 HydrophobicContact CB-CB 4.28Å; L22-M214 PolarHBondContact N-O 3.22Å; L22-M214 PolarHBondContact O-N 2.98Å; L22-F216 HydrophobicContact CB-CD2 4.03Å; L22-F216 HydrophobicContact CB-CE2 4.19Å; L22-F216 HydrophobicContact CD2-CD2 4.33Å; L22-F216 HydrophobicContact CD2-CE2 3.78Å; L22-F216 HydrophobicContact CD2-CZ 4.48Å
23K94.7Very high93.9Very high50 Ų5045.9 Ų45.922%0.21724%0.235CC..  trans-159.1153.4-179.2-163.4-166.8168.6-142.20109.9F21 T25 S68 E211 A213F21-K23 PolarHBondContact O-N 3.16Å; K23-T25 VanDerWaalsContact C-N 3.31Å; K23-T25 PolarHBondContact O-N 2.78Å; K23-S68 CarbonylContact C-O 3.45Å; K23-S68 VanDerWaalsContact CA-O 3.25Å; K23-S68 WeakPolarHBondContact CA-O 3.32Å; K23-S68 VanDerWaalsContact CG-O 3.26Å; K23-S68 WeakPolarHBondContact CG-O 3.17Å; K23-E211 HydrophobicContact CD-CB 4.47Å; K23-E211 IonicContact NZ-OE1 3.09Å; K23-E211 PolarHBondContact NZ-OE1 3.43Å; K23-E211 IonicContact NZ-OE2 2.93Å; K23-E211 PolarHBondContact NZ-OE2 3.31Å; K23-A213 HydrophobicContact CB-CB 4Å; K23-A213 HydrophobicContact CD-CB 4.38Å; K23-A213 HydrophobicContact CG-CB 4.4Å
24D95.3Very high94.5Very high92 Ų9243.7 Ų43.749%0.49222%0.22SC..SBendtrans50.844.8169.2-61-50.9000113.7S68 N69D24-S68 PolarHBondContact N-O 3.45Å; D24-N69 WeakPolarHBondContact CA-O 3.43Å; D24-N69 PolarHBondContact N-O 3.02Å; D24-N69 VanDerWaalsContact OD1-CB 3.31Å; D24-N69 WeakPolarHBondContact OD1-CB 3.35Å; D24-N69 PolarHBondContact OD1-ND2 2.86Å
25T95.8Very high95.1Very high44 Ų4435 Ų3527%0.2718%0.182SC..EExtended strand (participates in β ladder)trans-153.4161.5-173.3-165.80000112.7L22 K23 N69 V70 E71L22-T25 HydrophobicContact CD1-CG2 3.47Å; L22-T25 VanDerWaalsContact CD1-CG2 3.47Å; L22-T25 HydrophobicContact CG-CG2 4.42Å; K23-T25 VanDerWaalsContact C-N 3.31Å; K23-T25 PolarHBondContact O-N 2.78Å; T25-N69 PolarHBondContact N-O 3.2Å; T25-V70 CarbonylContact O-C 3.4Å; T25-V70 VanDerWaalsContact O-CA 3.25Å; T25-V70 WeakPolarHBondContact O-CA 3.5Å; T25-E71 PolarHBondContact O-N 3.45Å
26K96.3Very high95.3Very high61 Ų6133.5 Ų33.527%0.26517%0.173SC..EExtended strand (participates in β ladder)trans-75.4157.6166.1-64.2178.5-178.6175.30109.1E71 Y73 L154 C156 P157K26-E71 CarbonylContact C-O 3.5Å; K26-E71 VanDerWaalsContact CA-O 3.31Å; K26-E71 WeakPolarHBondContact CA-O 3.49Å; K26-E71 VanDerWaalsContact CE-OE2 3.3Å; K26-E71 WeakPolarHBondContact CE-OE2 3.37Å; K26-E71 HydrophobicContact CG-CB 4.26Å; K26-E71 WeakPolarHBondContact CG-OE2 3.41Å; K26-Y73 HydrophobicContact CB-CE2 4.09Å; K26-Y73 HydrophobicContact CD-CE2 3.96Å; K26-Y73 HydrophobicContact CG-CE2 4Å; K26-L154 HydrophobicContact CD-CB 4.47Å; K26-L154 HydrophobicContact CD-CD2 4.35Å; K26-C156 HydrophobicContact CB-CB 3.77Å; K26-C156 VanDerWaalsContact O-CB 3.28Å; K26-C156 WeakPolarHBondContact O-CB 3.03Å; K26-P157 WeakPolarHBondContact O-CD 3.49Å
27V97.4Very high95.6Very high0 Ų034.2 Ų34.20%018%0.176CC..EExtended strand (participates in β ladder)trans-147.2138.217069.60000110.7V29 V70 E71 P72 Y73 P157 I159V27-V29 HydrophobicContact CG1-CG2 4.01Å; V27-V70 HydrophobicContact CB-CG1 4.03Å; V27-V70 HydrophobicContact CG1-CG1 3.41Å; V27-V70 VanDerWaalsContact CG1-CG1 3.41Å; V27-E71 PolarHBondContact N-O 3.39Å; V27-P72 HydrophobicContact CG1-CB 3.93Å; V27-P72 CarbonylContact O-C 3.43Å; V27-P72 WeakPolarHBondContact O-CA 3.48Å; V27-Y73 PolarHBondContact O-N 2.71Å; V27-P157 HydrophobicContact CG2-CB 4.31Å; V27-P157 WeakPolarHBondContact CG2-O 3.22Å; V27-I159 HydrophobicContact CG1-CD1 4.4Å; V27-I159 HydrophobicContact CG2-CD1 3.59Å; V27-I159 HydrophobicContact CG2-CG1 3.68Å
28V97.5Very high95.6Very high0 Ų033 Ų330%017%0.172CC..EExtended strand (participates in β ladder)trans-94.8134.4170.9-174.90000109.3Y73 I75 C147 I150 A151 L154 P157 V158 I159V28-Y73 WeakPolarHBondContact CA-O 3.35Å; V28-I75 HydrophobicContact CG1-CG1 3.72Å; V28-C147 HydrophobicContact CG1-CB 3.79Å; V28-I150 HydrophobicContact CG1-CG2 4.48Å; V28-I150 HydrophobicContact CG2-CB 4.2Å; V28-I150 HydrophobicContact CG2-CG2 3.63Å; V28-A151 HydrophobicContact CB-CB 4.2Å; V28-A151 HydrophobicContact CG2-CB 3.85Å; V28-L154 HydrophobicContact CG2-CD1 4.34Å; V28-P157 PolarHBondContact N-O 3.35Å; V28-V158 HydrophobicContact CB-CG2 4.38Å; V28-V158 CarbonylContact O-C 3.56Å; V28-V158 VanDerWaalsContact O-CA 3.27Å; V28-V158 WeakPolarHBondContact O-CA 3.19Å; V28-I159 PolarHBondContact O-N 3.38Å
29V98Very high95.6Very high0 Ų029.2 Ų29.20%015%0.154CC..EExtended strand (participates in β ladder)trans-125123.8-175-173.20000109.9V27 T31 L34 P72 Y73 F74 I75 I159V27-V29 HydrophobicContact CG1-CG2 4.01Å; V29-T31 PolarHBondContact O-N 2.95Å; V29-T31 VanDerWaalsContact O-N 3.14Å; V29-L34 HydrophobicContact CG1-CB 4.08Å; V29-L34 HydrophobicContact CG1-CD2 3.82Å; V29-P72 HydrophobicContact CG2-CB 4.37Å; V29-Y73 PolarHBondContact N-O 3.46Å; V29-F74 HydrophobicContact CB-CD1 3.79Å; V29-F74 HydrophobicContact CB-CE1 3.93Å; V29-F74 HydrophobicContact CG1-CD1 3.95Å; V29-F74 HydrophobicContact CG1-CE1 3.85Å; V29-F74 HydrophobicContact CG2-CD1 4.37Å; V29-F74 HydrophobicContact CG2-CE1 4.11Å; V29-I75 PolarHBondContact O-N 3.08Å; V29-I159 HydrophobicContact CG1-CB 4.34Å; V29-I159 HydrophobicContact CG1-CG2 4.34Å; V29-I159 HydrophobicContact CG2-CB 4.3Å; V29-I159 HydrophobicContact CG2-CD1 4.28Å
30D97.1Very high95.5Very high1 Ų129.3 Ų29.31%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-70.6106.7162.1-173.5-38.7000108.9D32 D33 L34 I159 Y165D30-D32 VanDerWaalsContact C-N 3.34Å; D30-D32 PolarHBondContact O-N 3.47Å; D30-D32 PolarHBondContact OD1-N 2.85Å; D30-D33 HydrophobicContact CB-CB 4.02Å; D30-D33 PolarHBondContact O-N 3.49Å; D30-D33 PolarHBondContact OD1-N 2.9Å; D30-L34 PolarHBondContact O-N 3.11Å; D30-I159 PolarHBondContact N-O 3.04Å; D30-Y165 HydrophobicContact CB-CE2 4.47Å; D30-Y165 VanDerWaalsContact CB-OH 3.31Å; D30-Y165 WeakPolarHBondContact CB-OH 3Å
31T97.1Very high95.2Very high1 Ų131.7 Ų31.71%0.00616%0.161CC..Hα-helixtrans-68.1-36.6-172.8-55.20000112V29 L34 V35 F74 I75 L76 F125V29-T31 PolarHBondContact O-N 2.95Å; V29-T31 VanDerWaalsContact O-N 3.14Å; T31-L34 PolarHBondContact O-N 2.99Å; T31-V35 HydrophobicContact CG2-CG2 4.28Å; T31-V35 WeakPolarHBondContact O-CB 3.46Å; T31-V35 WeakPolarHBondContact O-CG2 3.43Å; T31-V35 PolarHBondContact O-N 3.1Å; T31-F74 HydrophobicContact CG2-CD1 4.49Å; T31-F74 WeakPolarHBondContact OG1-CB 3.27Å; T31-I75 WeakPolarHBondContact CB-O 3.37Å; T31-I75 PolarHBondContact N-O 3.23Å; T31-I75 PolarHBondContact OG1-N 3.28Å; T31-I75 PolarHBondContact OG1-O 2.81Å; T31-L76 HydrophobicContact CG2-CD2 3.43Å; T31-L76 VanDerWaalsContact CG2-CD2 3.43Å; T31-L76 HydrophobicContact CG2-CG 4.33Å; T31-F125 HydrophobicContact CG2-CD1 3.95Å; T31-F125 HydrophobicContact CG2-CE1 3.28Å; T31-F125 HydrophobicContact CG2-CZ 3.86Å
32D94.1Very high94.9Very high35 Ų3528.6 Ų28.619%0.18715%0.148CC..Hα-helixtrans-68.4-38.9-178.8-82.2-88.1000111.1D30 G36 R77 R122D30-D32 VanDerWaalsContact C-N 3.34Å; D30-D32 PolarHBondContact O-N 3.47Å; D30-D32 PolarHBondContact OD1-N 2.85Å; D32-G36 PolarHBondContact O-N 3.47Å; D32-G36 VanDerWaalsContact O-N 3.14Å; D32-R77 WeakPolarHBondContact OD2-CB 3.06Å; D32-R77 PolarHBondContact OD2-N 3.34Å; D32-R122 IonicContact OD1-CZ 3.37Å; D32-R122 VanDerWaalsContact OD1-CZ 3.24Å; D32-R122 IonicContact OD1-NH1 3.48Å; D32-R122 PolarHBondContact OD1-NH1 3.35Å; D32-R122 IonicContact OD1-NH2 3.48Å; D32-R122 PolarHBondContact OD1-NH2 3.05Å; D32-R122 IonicContact OD2-CZ 3.73Å; D32-R122 IonicContact OD2-NH1 3.41Å; D32-R122 IonicContact OD2-NH2 2.71Å; D32-R122 PolarHBondContact OD2-NH2 3.34Å
33D95.6Very high94.6Very high21 Ų2129.4 Ų29.411%0.11215%0.153CC..Hα-helixtrans-65.4-43.2172.9-81.6-7.8000111.9D30 G36 F37 L161 S162 L192D30-D33 HydrophobicContact CB-CB 4.02Å; D30-D33 PolarHBondContact O-N 3.49Å; D30-D33 PolarHBondContact OD1-N 2.9Å; D33-G36 PolarHBondContact O-N 2.92Å; D33-F37 WeakPolarHBondContact O-CB 3.34Å; D33-F37 PolarHBondContact O-N 3.21Å; D33-L161 HydrophobicContact CB-CB 3.64Å; D33-L161 WeakPolarHBondContact OD2-CA 3.48Å; D33-L161 PolarHBondContact OD2-N 3.36Å; D33-S162 PolarHBondContact OD2-N 2.8Å; D33-L192 HydrophobicContact CB-CD1 4.2Å
34L97.2Very high94.1Very high0 Ų028.9 Ų28.90%015%0.154CC..Hα-helixtrans-64.6-44.9177.5-179.964.3000112.3V29 D30 T31 G36 F37 L38 F61 F74 F125 L192V29-L34 HydrophobicContact CG1-CB 4.08Å; V29-L34 HydrophobicContact CG1-CD2 3.82Å; D30-L34 PolarHBondContact O-N 3.11Å; T31-L34 PolarHBondContact O-N 2.99Å; L34-G36 VanDerWaalsContact C-N 3.33Å; L34-G36 PolarHBondContact O-N 2.91Å; L34-F37 PolarHBondContact O-N 3.03Å; L34-L38 HydrophobicContact CD1-CD1 3.8Å; L34-L38 HydrophobicContact CD1-CD2 4.33Å; L34-L38 HydrophobicContact CD1-CG 3.76Å; L34-L38 HydrophobicContact CD2-CD1 4.41Å; L34-L38 HydrophobicContact CG-CD1 3.88Å; L34-L38 HydrophobicContact CG-CG 4.21Å; L34-L38 WeakPolarHBondContact O-CG 3.45Å; L34-L38 PolarHBondContact O-N 2.96Å; L34-F61 HydrophobicContact CD1-CE1 4.04Å; L34-F61 HydrophobicContact CD1-CE2 4.2Å; L34-F61 HydrophobicContact CD1-CZ 3.85Å; L34-F61 HydrophobicContact CD2-CD1 4.12Å; L34-F61 HydrophobicContact CD2-CE1 3.51Å; L34-F61 HydrophobicContact CD2-CZ 4.05Å; L34-F61 HydrophobicContact CG-CE1 4.43Å; L34-F74 HydrophobicContact CD2-CE1 3.82Å; L34-F125 HydrophobicContact CD2-CE2 3.77Å; L34-F125 HydrophobicContact CD2-CZ 3.75Å; L34-F125 HydrophobicContact CG-CE2 4Å; L34-F125 HydrophobicContact CG-CZ 4.34Å; L34-L192 HydrophobicContact CB-CD1 4.27Å; L34-L192 HydrophobicContact CD1-CD1 4.37Å; L34-L192 HydrophobicContact CD1-CD2 3.7Å
35V96.6Very high93.6Very high5 Ų524.7 Ų24.73%0.0313%0.133CC..Hα-helixtrans-56.5-49.3176.2168.10000110.4T31 F37 H39 L117 F125T31-V35 HydrophobicContact CG2-CG2 4.28Å; T31-V35 WeakPolarHBondContact O-CB 3.46Å; T31-V35 WeakPolarHBondContact O-CG2 3.43Å; T31-V35 PolarHBondContact O-N 3.1Å; V35-F37 VanDerWaalsContact C-N 3.35Å; V35-F37 PolarHBondContact O-N 3.17Å; V35-H39 VanDerWaalsContact O-CB 3.25Å; V35-H39 WeakPolarHBondContact O-CB 3.28Å; V35-H39 PolarHBondContact O-N 2.63Å; V35-L117 HydrophobicContact CG1-CD1 4.08Å; V35-L117 HydrophobicContact CG1-CD2 4.32Å; V35-F125 HydrophobicContact CG2-CB 3.75Å; V35-F125 HydrophobicContact CG2-CD1 3.65Å; V35-F125 HydrophobicContact CG2-CD2 3.55Å; V35-F125 HydrophobicContact CG2-CE1 4.13Å; V35-F125 HydrophobicContact CG2-CE2 4.01Å; V35-F125 HydrophobicContact CG2-CG 3.35Å; V35-F125 HydrophobicContact CG2-CZ 4.28Å
36G93.7Very high93.4Very high29 Ų2924 Ų2430%0.29913%0.127SC..Hα-helixtrans-59.4-45.9178.400000112D32 D33 L34 D40D32-G36 PolarHBondContact O-N 3.47Å; D32-G36 VanDerWaalsContact O-N 3.14Å; D33-G36 PolarHBondContact O-N 2.92Å; L34-G36 VanDerWaalsContact C-N 3.33Å; L34-G36 PolarHBondContact O-N 2.91Å; G36-D40 WeakPolarHBondContact O-CB 3.42Å; G36-D40 PolarHBondContact O-N 3.34Å
37F94.9Very high93.2Very high16 Ų1623 Ų237%0.0712%0.122CC..Hα-helixtrans-65.5-49.2-179.1176.2-108000113.7D33 L34 V35 H39 D40 K41 L192 L197D33-F37 WeakPolarHBondContact O-CB 3.34Å; D33-F37 PolarHBondContact O-N 3.21Å; L34-F37 PolarHBondContact O-N 3.03Å; V35-F37 VanDerWaalsContact C-N 3.35Å; V35-F37 PolarHBondContact O-N 3.17Å; F37-H39 VanDerWaalsContact C-N 3.32Å; F37-H39 PolarHBondContact O-N 3.24Å; F37-D40 PolarHBondContact O-N 2.97Å; F37-K41 HydrophobicContact CE1-CD 4.06Å; F37-K41 HydrophobicContact CE2-CD 4Å; F37-K41 VanDerWaalsContact CE2-CE 3.44Å; F37-K41 HydrophobicContact CE2-CG 4.46Å; F37-K41 HydrophobicContact CZ-CD 3.66Å; F37-K41 VanDerWaalsContact CZ-NZ 3.31Å; F37-K41 PolarHBondContact O-N 3.33Å; F37-L192 HydrophobicContact CB-CB 4.34Å; F37-L192 HydrophobicContact CB-CD1 4.02Å; F37-L192 HydrophobicContact CD1-CB 3.99Å; F37-L192 HydrophobicContact CD1-CD1 4.49Å; F37-L192 HydrophobicContact CD1-CD2 3.82Å; F37-L192 HydrophobicContact CD1-CG 4.32Å; F37-L192 HydrophobicContact CD2-CB 4.03Å; F37-L192 HydrophobicContact CE1-CB 4.18Å; F37-L192 HydrophobicContact CE1-CD2 4.08Å; F37-L192 HydrophobicContact CE2-CB 4.25Å; F37-L192 VanDerWaalsContact CE2-O 3.23Å; F37-L192 WeakPolarHBondContact CE2-O 3.12Å; F37-L192 HydrophobicContact CG-CB 3.87Å; F37-L192 HydrophobicContact CG-CD1 4.35Å; F37-L192 HydrophobicContact CG-CD2 4.42Å; F37-L192 HydrophobicContact CG-CG 4.45Å; F37-L192 HydrophobicContact CZ-CB 4.3Å; F37-L192 WeakPolarHBondContact CZ-O 2.82Å; F37-L197 HydrophobicContact CD1-CD1 4.22Å; F37-L197 HydrophobicContact CE1-CD1 3.51Å; F37-L197 HydrophobicContact CE1-CG 4.07Å; F37-L197 HydrophobicContact CZ-CD1 4.43Å
38L95.2Very high93.1Very high0 Ų023 Ų230%012%0.122CC..Hα-helixtrans-64.6-40.3179.6-69.3178.9000110.9L34 D40 K41 F42 F54 V58 F61 F125 L197L34-L38 HydrophobicContact CD1-CD1 3.8Å; L34-L38 HydrophobicContact CD1-CD2 4.33Å; L34-L38 HydrophobicContact CD1-CG 3.76Å; L34-L38 HydrophobicContact CD2-CD1 4.41Å; L34-L38 HydrophobicContact CG-CD1 3.88Å; L34-L38 HydrophobicContact CG-CG 4.21Å; L34-L38 WeakPolarHBondContact O-CG 3.45Å; L34-L38 PolarHBondContact O-N 2.96Å; L38-D40 VanDerWaalsContact C-N 3.33Å; L38-D40 PolarHBondContact O-N 3.11Å; L38-K41 PolarHBondContact O-N 3.09Å; L38-F42 HydrophobicContact CB-CD2 4.48Å; L38-F42 HydrophobicContact CD2-CD2 4.1Å; L38-F42 HydrophobicContact CD2-CE2 3.85Å; L38-F42 VanDerWaalsContact O-CD2 3.32Å; L38-F42 WeakPolarHBondContact O-CD2 3.31Å; L38-F42 PolarHBondContact O-N 3.26Å; L38-F54 HydrophobicContact CB-CE2 3.75Å; L38-F54 HydrophobicContact CB-CZ 4.45Å; L38-V58 HydrophobicContact CD1-CG2 3.95Å; L38-F61 HydrophobicContact CD1-CB 4.37Å; L38-F61 HydrophobicContact CD1-CD1 4.44Å; L38-F61 HydrophobicContact CD1-CG 4.31Å; L38-F61 HydrophobicContact CD2-CD2 4.4Å; L38-F125 HydrophobicContact CD1-CE2 4.2Å; L38-L197 HydrophobicContact CD2-CD1 3.37Å
39H94.7Very high92.9Very high5 Ų523 Ų232%0.02312%0.122CC..Hα-helixtrans-65.4-39.8179.1179.8-78.7000111.2V35 F37 K41 S43 F54 V116 L117 S118V35-H39 VanDerWaalsContact O-CB 3.25Å; V35-H39 WeakPolarHBondContact O-CB 3.28Å; V35-H39 PolarHBondContact O-N 2.63Å; F37-H39 VanDerWaalsContact C-N 3.32Å; F37-H39 PolarHBondContact O-N 3.24Å; H39-K41 VanDerWaalsContact C-N 3.26Å; H39-K41 PolarHBondContact O-N 3.09Å; H39-S43 CarbonylContact O-C 3.51Å; H39-S43 VanDerWaalsContact O-C 3.27Å; H39-S43 WeakPolarHBondContact O-CA 3.46Å; H39-S43 PolarHBondContact O-N 3.39Å; H39-F54 VanDerWaalsContact CA-CE2 3.45Å; H39-F54 HydrophobicContact CB-CD2 4.19Å; H39-F54 HydrophobicContact CB-CE2 3.72Å; H39-F54 HydrophobicContact CB-CZ 4.09Å; H39-F54 VanDerWaalsContact N-CE2 3.29Å; H39-V116 PolarHBondContact CE1-O 3.09Å; H39-L117 HydrophobicContact CB-CD1 3.51Å; H39-L117 VanDerWaalsContact CG-CD1 3.45Å; H39-S118 PolarHBondContact CE1-N 3.4Å; H39-S118 WeakPolarHBondContact NE2-CB 3.37Å; H39-S118 PolarHBondContact NE2-N 2.8Å; H39-S118 PolarHBondContact NE2-OG 2.75Å
40D90.9Very high92.7Very high70 Ų7023.4 Ų23.437%0.37412%0.124SC..Hα-helixtrans-61.9-32177.3-165.276.3000113.9G36 F37 L38 K115G36-D40 WeakPolarHBondContact O-CB 3.42Å; G36-D40 PolarHBondContact O-N 3.34Å; F37-D40 PolarHBondContact O-N 2.97Å; L38-D40 VanDerWaalsContact C-N 3.33Å; L38-D40 PolarHBondContact O-N 3.11Å; D40-K115 VanDerWaalsContact CG-NZ 3.32Å; D40-K115 PolarHBondContact O-NZ 3.18Å; D40-K115 WeakPolarHBondContact OD1-CD 3.41Å; D40-K115 IonicContact OD1-NZ 3.74Å; D40-K115 PolarHBondContact OD1-NZ 3.33Å; D40-K115 IonicContact OD2-NZ 3.53Å; D40-K115 PolarHBondContact OD2-NZ 3.29Å
41K88.7Confident92.7Very high100 Ų10023.4 Ų23.444%0.43512%0.124SC..Hα-helixtrans-87.6-39.3-178.9-78.9-163.5169.2-172.20113.9F37 L38 H39F37-K41 HydrophobicContact CE1-CD 4.06Å; F37-K41 HydrophobicContact CE2-CD 4Å; F37-K41 VanDerWaalsContact CE2-CE 3.44Å; F37-K41 HydrophobicContact CE2-CG 4.46Å; F37-K41 HydrophobicContact CZ-CD 3.66Å; F37-K41 VanDerWaalsContact CZ-NZ 3.31Å; F37-K41 PolarHBondContact O-N 3.33Å; L38-K41 PolarHBondContact O-N 3.09Å; H39-K41 VanDerWaalsContact C-N 3.26Å; H39-K41 PolarHBondContact O-N 3.09Å
42F88Confident92.6Very high71 Ų7123.5 Ų23.531%0.31112%0.124SC..Hα-helixtrans-120.7-0.4-166.3-56.6-72.1000114.4L38 A57 L197 L199L38-F42 HydrophobicContact CB-CD2 4.48Å; L38-F42 HydrophobicContact CD2-CD2 4.1Å; L38-F42 HydrophobicContact CD2-CE2 3.85Å; L38-F42 VanDerWaalsContact O-CD2 3.32Å; L38-F42 WeakPolarHBondContact O-CD2 3.31Å; L38-F42 PolarHBondContact O-N 3.26Å; F42-A57 HydrophobicContact CB-CB 3.46Å; F42-A57 VanDerWaalsContact CB-CB 3.46Å; F42-A57 HydrophobicContact CD1-CB 4.16Å; F42-A57 HydrophobicContact CD2-CB 3.75Å; F42-A57 HydrophobicContact CG-CB 3.52Å; F42-L197 HydrophobicContact CE2-CD1 3.91Å; F42-L197 HydrophobicContact CZ-CD1 4.36Å; F42-L199 HydrophobicContact CD1-CD1 4.41Å; F42-L199 HydrophobicContact CD2-CD1 4.07Å; F42-L199 HydrophobicContact CE1-CD1 3.84Å; F42-L199 HydrophobicContact CE1-CG 4.42Å; F42-L199 HydrophobicContact CE2-CD1 3.45Å; F42-L199 VanDerWaalsContact CE2-CD1 3.45Å; F42-L199 HydrophobicContact CE2-CG 4.4Å; F42-L199 HydrophobicContact CZ-CB 4.48Å; F42-L199 HydrophobicContact CZ-CD1 3.33Å; F42-L199 HydrophobicContact CZ-CG 3.9Å
43S88.1Confident92.6Very high16 Ų1623.2 Ų23.211%0.11213%0.125CC..  trans-141.4-178.4176.2-158.40000110.3H39 E50H39-S43 CarbonylContact O-C 3.51Å; H39-S43 VanDerWaalsContact O-C 3.27Å; H39-S43 WeakPolarHBondContact O-CA 3.46Å; H39-S43 PolarHBondContact O-N 3.39Å; S43-E50 PolarHBondContact OG-N 3.45Å; S43-E50 VanDerWaalsContact OG-N 3.12Å; S43-E50 PolarHBondContact OG-O 3.12Å
44T84Confident92.6Very high40 Ų4022.2 Ų22.225%0.24512%0.12CC..  trans-150.4138.2173.1-179.30000110.8L46 Y47 G49 E50T44-L46 HydrophobicContact CG2-CB 4.16Å; T44-L46 PolarHBondContact O-N 3.06Å; T44-L46 WeakPolarHBondContact OG1-CB 3.49Å; T44-L46 PolarHBondContact OG1-N 3.02Å; T44-Y47 HydrophobicContact CG2-CD2 4.45Å; T44-G49 VanDerWaalsContact O-CA 3.24Å; T44-G49 WeakPolarHBondContact O-CA 3.46Å; T44-G49 PolarHBondContact O-N 2.98Å; T44-E50 HydrophobicContact CG2-CG 4.44Å
45G85.6Confident92.5Very high4 Ų422.6 Ų22.64%0.04112%0.121CC..G310 helixtrans-75-8.2169.600000113.2Y47 G48 V116 V408G45-Y47 PolarHBondContact O-N 3.33Å; G45-G48 PolarHBondContact O-N 3.18Å; G45-V116 WeakPolarHBondContact CA-O 3.45Å; G45-V116 PolarHBondContact N-O 3.34Å; G45-V408 WeakPolarHBondContact O-CG2 3.35Å
46L90.7Very high92.3Very high29 Ų2923.3 Ų23.315%0.15213%0.126CC..G310 helixtrans-55.4-37.8-175.3179.361.5000113.2T44 P110 V113 Y580T44-L46 HydrophobicContact CG2-CB 4.16Å; T44-L46 PolarHBondContact O-N 3.06Å; T44-L46 WeakPolarHBondContact OG1-CB 3.49Å; T44-L46 PolarHBondContact OG1-N 3.02Å; L46-P110 HydrophobicContact CD1-CB 4.01Å; L46-P110 HydrophobicContact CD2-CB 4.17Å; L46-V113 HydrophobicContact CD1-CB 3.93Å; L46-V113 HydrophobicContact CD1-CG1 4.09Å; L46-V113 HydrophobicContact CD1-CG2 3.99Å; L46-Y580 HydrophobicContact CD1-CE2 3.75Å; L46-Y580 HydrophobicContact CG-CE2 3.85Å; L46-Y580 PolarHBondContact O-OH 3.2Å
47Y93Very high92.3Very high39 Ų3922.3 Ų22.315%0.15312%0.115CC..G310 helixtrans-108.118.5177.6-65.4-85.5000112.3T44 G45 G49 Y580 V585 F588 G630 K631 H634T44-Y47 HydrophobicContact CG2-CD2 4.45Å; G45-Y47 PolarHBondContact O-N 3.33Å; Y47-G49 VanDerWaalsContact C-N 3.32Å; Y47-Y580 HydrophobicContact CD1-CD2 4.32Å; Y47-Y580 AromaticContact CD1-CE2 4Å; Y47-Y580 HydrophobicContact CD1-CE2 4Å; Y47-Y580 AromaticContact CE1-CD2 3.57Å; Y47-Y580 HydrophobicContact CE1-CD2 3.57Å; Y47-Y580 AromaticContact CE1-CE2 3.7Å; Y47-Y580 HydrophobicContact CE1-CE2 3.7Å; Y47-Y580 AromaticContact CZ-CD2 3.79Å; Y47-V585 HydrophobicContact CD1-CG2 4.31Å; Y47-F588 WeakPolarHBondContact O-CD1 3.27Å; Y47-F588 WeakPolarHBondContact O-CE1 3.41Å; Y47-G630 VanDerWaalsContact O-CA 3.24Å; Y47-G630 WeakPolarHBondContact O-CA 3.26Å; Y47-K631 HydrophobicContact CD1-CG 4.07Å; Y47-K631 HydrophobicContact CD2-CD 4.26Å; Y47-K631 HydrophobicContact CD2-CG 3.42Å; Y47-K631 VanDerWaalsContact CD2-CG 3.42Å; Y47-K631 HydrophobicContact CE1-CG 4.36Å; Y47-K631 HydrophobicContact CE2-CD 4.37Å; Y47-K631 HydrophobicContact CE2-CG 3.76Å; Y47-K631 HydrophobicContact CG-CB 4.48Å; Y47-K631 HydrophobicContact CG-CG 3.59Å; Y47-H634 HydrophobicContact CD1-CB 3.88Å; Y47-H634 AromaticContact CD1-CG 3.83Å; Y47-H634 HydrophobicContact CE1-CB 4.42Å; Y47-H634 AromaticContact CE1-CG 3.94Å; Y47-H634 AromaticContact CE1-ND1 3.77Å
48G93.7Very high92.4Very high1 Ų121.6 Ų21.61%0.0111%0.112CC..THydrogen-bonded Turntrans82.31.4-175.500000115.4G45 S118 N589 Q592G45-G48 PolarHBondContact O-N 3.18Å; G48-S118 WeakPolarHBondContact O-CB 3.47Å; G48-N589 WeakPolarHBondContact CA-OD1 3.35Å; G48-Q592 PolarHBondContact O-NE2 3.42Å
49G93.9Very high92.3Very high0 Ų026.1 Ų26.10%013%0.129CC..  trans121.6134.6173.400000114.1T44 Y47 N51 G630T44-G49 VanDerWaalsContact O-CA 3.24Å; T44-G49 WeakPolarHBondContact O-CA 3.46Å; T44-G49 PolarHBondContact O-N 2.98Å; Y47-G49 VanDerWaalsContact C-N 3.32Å; G49-N51 PolarHBondContact O-N 3.02Å; G49-G630 PolarHBondContact O-N 3.46Å
50E94.7Very high92.2Very high9 Ų926.3 Ų26.34%0.04213%0.131CC..  trans-97.277.5167-62.5-55.3133.900108.4S43 T44 F54 S629 G630 K631S43-E50 PolarHBondContact OG-N 3.45Å; S43-E50 VanDerWaalsContact OG-N 3.12Å; S43-E50 PolarHBondContact OG-O 3.12Å; T44-E50 HydrophobicContact CG2-CG 4.44Å; E50-F54 VanDerWaalsContact O-CB 3.23Å; E50-F54 WeakPolarHBondContact O-CB 3.3Å; E50-F54 PolarHBondContact O-N 3.27Å; E50-S629 WeakPolarHBondContact OE2-CA 3.41Å; E50-S629 WeakPolarHBondContact OE2-CB 3.22Å; E50-S629 PolarHBondContact OE2-OG 3.4Å; E50-G630 PolarHBondContact OE1-N 3.11Å; E50-K631 WeakPolarHBondContact OE1-CB 3.42Å; E50-K631 WeakPolarHBondContact OE1-CG 3.2Å; E50-K631 PolarHBondContact OE1-N 3.45Å
51N96.4Very high92.4Very high0 Ų023 Ų230%011%0.113CC..Hα-helixtrans-69.2-36-167.1-64.2-44.9000112.7G49 Y55 V124 W624 F627 P628G49-N51 PolarHBondContact O-N 3.02Å; N51-Y55 VanDerWaalsContact O-CB 3.25Å; N51-Y55 WeakPolarHBondContact O-CB 3.22Å; N51-Y55 PolarHBondContact O-N 3Å; N51-V124 HydrophobicContact CB-CG2 3.92Å; N51-W624 HydrophobicContact CB-CB 3.97Å; N51-W624 WeakPolarHBondContact O-CB 3.36Å; N51-F627 VanDerWaalsContact CB-O 3.32Å; N51-F627 WeakPolarHBondContact CB-O 3.22Å; N51-F627 PolarHBondContact ND2-O 3.01Å; N51-P628 PolarHBondContact N-O 2.89Å
52L95.1Very high92.7Very high3 Ų318.2 Ų18.22%0.0169%0.092CC..Hα-helixtrans-66.4-48.1176.6-171.869.7000111.1F54 Y55 V56 I553 L556 C557 Y560 W624 P628L52-F54 VanDerWaalsContact C-N 3.32Å; L52-F54 PolarHBondContact O-N 3.38Å; L52-Y55 WeakPolarHBondContact O-CB 3.27Å; L52-Y55 PolarHBondContact O-N 2.75Å; L52-V56 WeakPolarHBondContact O-CG2 3.23Å; L52-V56 PolarHBondContact O-N 3.39Å; L52-I553 HydrophobicContact CD1-CG2 3.79Å; L52-I553 HydrophobicContact CG-CG2 4.25Å; L52-L556 HydrophobicContact CD2-CB 4.27Å; L52-L556 HydrophobicContact CD2-CD2 4.24Å; L52-L556 HydrophobicContact CD2-CG 4Å; L52-C557 VanDerWaalsContact CG-SG 3.54Å; L52-Y560 HydrophobicContact CD2-CD2 3.85Å; L52-Y560 HydrophobicContact CD2-CE2 3.96Å; L52-W624 HydrophobicContact CD1-CD2 4.44Å; L52-W624 HydrophobicContact CD1-CE3 3.46Å; L52-W624 VanDerWaalsContact CD1-CE3 3.46Å; L52-W624 HydrophobicContact CD1-CZ3 3.96Å; L52-P628 HydrophobicContact CB-CB 4.11Å; L52-P628 VanDerWaalsContact CB-O 3.32Å; L52-P628 WeakPolarHBondContact CB-O 3.18Å; L52-P628 HydrophobicContact CD2-CB 4.47Å; L52-P628 PolarHBondContact N-O 2.87Å
53S93.3Very high92.9Very high29 Ų2916.4 Ų16.420%0.2039%0.086CC..Hα-helixtrans-64-38.6176.6-54.80000112V56 A57S53-V56 PolarHBondContact O-N 2.87Å; S53-A57 PolarHBondContact O-N 3.14Å
54F95.8Very high93.1Very high0 Ų016.7 Ų16.70%09%0.086CC..Hα-helixtrans-63.9-44.7174.7-176.2-120.5000111.9L38 H39 E50 L52 V56 A57 V58 A121 V124 F125L38-F54 HydrophobicContact CB-CE2 3.75Å; L38-F54 HydrophobicContact CB-CZ 4.45Å; H39-F54 VanDerWaalsContact CA-CE2 3.45Å; H39-F54 HydrophobicContact CB-CD2 4.19Å; H39-F54 HydrophobicContact CB-CE2 3.72Å; H39-F54 HydrophobicContact CB-CZ 4.09Å; H39-F54 VanDerWaalsContact N-CE2 3.29Å; E50-F54 VanDerWaalsContact O-CB 3.23Å; E50-F54 WeakPolarHBondContact O-CB 3.3Å; E50-F54 PolarHBondContact O-N 3.27Å; L52-F54 VanDerWaalsContact C-N 3.32Å; L52-F54 PolarHBondContact O-N 3.38Å; F54-V56 VanDerWaalsContact C-N 3.35Å; F54-V56 PolarHBondContact O-N 3.21Å; F54-A57 PolarHBondContact O-N 3.06Å; F54-V58 HydrophobicContact CD1-CG2 4.4Å; F54-V58 HydrophobicContact CD2-CG2 4.22Å; F54-V58 HydrophobicContact CE1-CG2 3.95Å; F54-V58 HydrophobicContact CE2-CG2 3.74Å; F54-V58 HydrophobicContact CZ-CG2 3.61Å; F54-V58 WeakPolarHBondContact O-CG2 3.46Å; F54-V58 PolarHBondContact O-N 2.82Å; F54-A121 HydrophobicContact CE1-CB 4.15Å; F54-A121 VanDerWaalsContact CE1-O 3.29Å; F54-A121 WeakPolarHBondContact CE1-O 3.47Å; F54-V124 HydrophobicContact CD1-CB 3.95Å; F54-V124 HydrophobicContact CD1-CG1 3.66Å; F54-V124 HydrophobicContact CE1-CB 4.29Å; F54-V124 HydrophobicContact CE1-CG1 4.27Å; F54-F125 HydrophobicContact CE1-CB 4.23Å; F54-F125 HydrophobicContact CZ-CB 4.49Å
55Y95.7Very high93.6Very high8 Ų814.8 Ų14.83%0.0317%0.074CC..Hα-helixtrans-57.3-46.2175172.7-102.1000111.8N51 L52 A57 V58 R59 V124 A128 E131 I553 W624N51-Y55 VanDerWaalsContact O-CB 3.25Å; N51-Y55 WeakPolarHBondContact O-CB 3.22Å; N51-Y55 PolarHBondContact O-N 3Å; L52-Y55 WeakPolarHBondContact O-CB 3.27Å; L52-Y55 PolarHBondContact O-N 2.75Å; Y55-A57 PolarHBondContact O-N 2.84Å; Y55-V58 PolarHBondContact O-N 3.3Å; Y55-R59 WeakPolarHBondContact O-CB 3.39Å; Y55-R59 PolarHBondContact O-N 3.18Å; Y55-V124 HydrophobicContact CD2-CG1 4.37Å; Y55-A128 HydrophobicContact CD2-CB 3.83Å; Y55-A128 HydrophobicContact CE2-CB 3.81Å; Y55-E131 WeakPolarHBondContact CE2-OE1 3.29Å; Y55-E131 VanDerWaalsContact CZ-OE1 3.32Å; Y55-E131 PolarHBondContact OH-OE1 3.44Å; Y55-E131 PolarHBondContact OH-OE2 3.18Å; Y55-I553 HydrophobicContact CD1-CG2 4.45Å; Y55-I553 HydrophobicContact CE1-CD1 3.96Å; Y55-W624 AromaticContact CD1-CD2 3.95Å; Y55-W624 HydrophobicContact CD1-CD2 3.95Å; Y55-W624 AromaticContact CD1-CE2 4Å; Y55-W624 HydrophobicContact CD1-CE3 4.28Å; Y55-W624 HydrophobicContact CD1-CG 4.3Å; Y55-W624 HydrophobicContact CD1-CZ2 4.39Å; Y55-W624 AromaticContact CD2-CD1 3.5Å; Y55-W624 VanDerWaalsContact CD2-CD1 3.5Å; Y55-W624 HydrophobicContact CD2-CD2 4.24Å; Y55-W624 AromaticContact CD2-CE2 3.86Å; Y55-W624 HydrophobicContact CD2-CG 4.03Å; Y55-W624 AromaticContact CD2-NE1 3.34Å; Y55-W624 VanDerWaalsContact CD2-NE1 3.34Å; Y55-W624 HydrophobicContact CE1-CD2 4.25Å; Y55-W624 AromaticContact CE1-CE2 3.89Å; Y55-W624 HydrophobicContact CE1-CH2 4.14Å; Y55-W624 AromaticContact CE1-CZ2 3.85Å; Y55-W624 HydrophobicContact CE1-CZ2 3.85Å; Y55-W624 HydrophobicContact CE1-CZ3 4.46Å; Y55-W624 AromaticContact CE2-CE2 3.76Å; Y55-W624 HydrophobicContact CE2-CZ2 4.09Å; Y55-W624 AromaticContact CE2-NE1 3.4Å; Y55-W624 HydrophobicContact CG-CB 4.43Å; Y55-W624 AromaticContact CG-CD1 3.76Å; Y55-W624 AromaticContact CG-CD2 3.94Å; Y55-W624 HydrophobicContact CG-CD2 3.94Å; Y55-W624 AromaticContact CG-CE2 3.98Å; Y55-W624 AromaticContact CG-CG 3.81Å; Y55-W624 HydrophobicContact CG-CG 3.81Å; Y55-W624 AromaticContact CG-NE1 3.82Å; Y55-W624 AromaticContact CZ-CE2 3.77Å; Y55-W624 AromaticContact CZ-CZ2 3.69Å; Y55-W624 AromaticContact CZ-NE1 3.92Å
56V93.4Very high93.9Very high21 Ų2120.2 Ų20.213%0.12710%0.098CC..Hα-helixtrans-58.2-46.9175.1172.80000111.4L52 S53 F54 V58 R59 S60 L201 I553L52-V56 WeakPolarHBondContact O-CG2 3.23Å; L52-V56 PolarHBondContact O-N 3.39Å; S53-V56 PolarHBondContact O-N 2.87Å; F54-V56 VanDerWaalsContact C-N 3.35Å; F54-V56 PolarHBondContact O-N 3.21Å; V56-V58 PolarHBondContact O-N 3.33Å; V56-R59 PolarHBondContact O-N 3.24Å; V56-S60 WeakPolarHBondContact O-CB 3.41Å; V56-S60 PolarHBondContact O-N 3.1Å; V56-S60 PolarHBondContact O-OG 3.42Å; V56-L201 HydrophobicContact CG1-CD2 3.54Å; V56-I553 HydrophobicContact CG2-CB 4.21Å; V56-I553 HydrophobicContact CG2-CG2 3.26Å
57A93.2Very high94Very high8 Ų822 Ų227%0.06611%0.112CC..Hα-helixtrans-63-41.9-179.900000112.5F42 S53 F54 Y55 S60 F61 L199F42-A57 HydrophobicContact CB-CB 3.46Å; F42-A57 VanDerWaalsContact CB-CB 3.46Å; F42-A57 HydrophobicContact CD1-CB 4.16Å; F42-A57 HydrophobicContact CD2-CB 3.75Å; F42-A57 HydrophobicContact CG-CB 3.52Å; S53-A57 PolarHBondContact O-N 3.14Å; F54-A57 PolarHBondContact O-N 3.06Å; Y55-A57 PolarHBondContact O-N 2.84Å; A57-S60 PolarHBondContact O-N 2.94Å; A57-F61 PolarHBondContact O-N 3.21Å; A57-L199 HydrophobicContact CB-CD1 4.05Å; A57-L199 WeakPolarHBondContact O-CD1 3.31Å
58V95.6Very high93.9Very high0 Ų020.2 Ų20.20%011%0.106CC..Hα-helixtrans-63.2-46.3175.6174.90000110.6L38 F54 Y55 V56 S60 F61 F62 F125 A128L38-V58 HydrophobicContact CD1-CG2 3.95Å; F54-V58 HydrophobicContact CD1-CG2 4.4Å; F54-V58 HydrophobicContact CD2-CG2 4.22Å; F54-V58 HydrophobicContact CE1-CG2 3.95Å; F54-V58 HydrophobicContact CE2-CG2 3.74Å; F54-V58 HydrophobicContact CZ-CG2 3.61Å; F54-V58 WeakPolarHBondContact O-CG2 3.46Å; F54-V58 PolarHBondContact O-N 2.82Å; Y55-V58 PolarHBondContact O-N 3.3Å; V56-V58 PolarHBondContact O-N 3.33Å; V58-S60 PolarHBondContact O-N 2.88Å; V58-F61 WeakPolarHBondContact O-CB 3.43Å; V58-F61 PolarHBondContact O-N 2.79Å; V58-F62 HydrophobicContact CG1-CD2 3.89Å; V58-F62 HydrophobicContact CG1-CE1 4.31Å; V58-F62 HydrophobicContact CG1-CE2 3.26Å; V58-F62 HydrophobicContact CG1-CZ 3.52Å; V58-F62 WeakPolarHBondContact O-CG 3.26Å; V58-F62 PolarHBondContact O-N 2.91Å; V58-F125 HydrophobicContact CB-CD2 4.46Å; V58-F125 HydrophobicContact CG1-CD2 3.7Å; V58-F125 HydrophobicContact CG1-CE2 3.99Å; V58-F125 HydrophobicContact CG1-CG 4.34Å; V58-F125 HydrophobicContact CG2-CD2 3.8Å; V58-A128 HydrophobicContact CB-CB 4.2Å; V58-A128 HydrophobicContact CG1-CB 3.58Å
59R94.1Very high93.9Very high95 Ų9525.2 Ų25.236%0.35813%0.132SC..Hα-helixtrans-61.7-42.4177.5-171.9173.7175.1-92-1.8111.9Y55 V56 F61 F62 L63 E131 F132Y55-R59 WeakPolarHBondContact O-CB 3.39Å; Y55-R59 PolarHBondContact O-N 3.18Å; V56-R59 PolarHBondContact O-N 3.24Å; R59-F61 VanDerWaalsContact C-N 3.33Å; R59-F61 PolarHBondContact O-N 3.13Å; R59-F62 PolarHBondContact O-N 3.34Å; R59-L63 HydrophobicContact CG-CD1 4.25Å; R59-L63 WeakPolarHBondContact O-CB 3.31Å; R59-L63 WeakPolarHBondContact O-CG 3.47Å; R59-L63 PolarHBondContact O-N 3.33Å; R59-E131 IonicContact NE-OE2 3.03Å; R59-F132 HydrophobicContact CG-CE2 3.97Å; R59-F132 HydrophobicContact CG-CZ 3.81Å
60S92.2Very high94Very high9 Ų925.5 Ų25.56%0.06313%0.134CC..Hα-helixtrans-62-39.3174.3-68.80000112.3V56 A57 V58 L63 N64V56-S60 WeakPolarHBondContact O-CB 3.41Å; V56-S60 PolarHBondContact O-N 3.1Å; V56-S60 PolarHBondContact O-OG 3.42Å; A57-S60 PolarHBondContact O-N 2.94Å; V58-S60 PolarHBondContact O-N 2.88Å; S60-L63 PolarHBondContact O-N 3.46Å; S60-N64 WeakPolarHBondContact O-CB 3.36Å; S60-N64 PolarHBondContact O-N 3.48Å
61F94.4Very high94.1Very high0 Ų028.6 Ų28.60%015%0.148CC..Hα-helixtrans-62.5-44.3174.8176.6-93.4000111.6L34 L38 A57 V58 R59 N64 L65 L197 L199 M214L34-F61 HydrophobicContact CD1-CE1 4.04Å; L34-F61 HydrophobicContact CD1-CE2 4.2Å; L34-F61 HydrophobicContact CD1-CZ 3.85Å; L34-F61 HydrophobicContact CD2-CD1 4.12Å; L34-F61 HydrophobicContact CD2-CE1 3.51Å; L34-F61 HydrophobicContact CD2-CZ 4.05Å; L34-F61 HydrophobicContact CG-CE1 4.43Å; L38-F61 HydrophobicContact CD1-CB 4.37Å; L38-F61 HydrophobicContact CD1-CD1 4.44Å; L38-F61 HydrophobicContact CD1-CG 4.31Å; L38-F61 HydrophobicContact CD2-CD2 4.4Å; A57-F61 PolarHBondContact O-N 3.21Å; V58-F61 WeakPolarHBondContact O-CB 3.43Å; V58-F61 PolarHBondContact O-N 2.79Å; R59-F61 VanDerWaalsContact C-N 3.33Å; R59-F61 PolarHBondContact O-N 3.13Å; F61-N64 PolarHBondContact O-N 3.19Å; F61-L65 HydrophobicContact CD1-CD1 4.12Å; F61-L65 HydrophobicContact CE1-CD1 3.6Å; F61-L65 HydrophobicContact CE1-CG 4.24Å; F61-L65 HydrophobicContact CZ-CD1 4.22Å; F61-L65 PolarHBondContact O-N 3.22Å; F61-L65 VanDerWaalsContact O-N 3.11Å; F61-L197 HydrophobicContact CD2-CD1 4.23Å; F61-L197 HydrophobicContact CD2-CD2 3.76Å; F61-L197 HydrophobicContact CE2-CD2 3.68Å; F61-L199 HydrophobicContact CB-CD2 4.2Å; F61-M214 HydrophobicContact CD2-CE 3.78Å; F61-M214 HydrophobicContact CE2-CE 3.48Å; F61-M214 VanDerWaalsContact CE2-CE 3.48Å; F61-M214 HydrophobicContact CZ-CE 4.15Å
62F95.4Very high94.1Very high0 Ų028.6 Ų28.60%015%0.149CC..Hα-helixtrans-67.3-39.4177-66-21.7000113.4V58 R59 N64 L65 Q66 F74 F125 A128 L129 F132 F134V58-F62 HydrophobicContact CG1-CD2 3.89Å; V58-F62 HydrophobicContact CG1-CE1 4.31Å; V58-F62 HydrophobicContact CG1-CE2 3.26Å; V58-F62 HydrophobicContact CG1-CZ 3.52Å; V58-F62 WeakPolarHBondContact O-CG 3.26Å; V58-F62 PolarHBondContact O-N 2.91Å; R59-F62 PolarHBondContact O-N 3.34Å; F62-N64 VanDerWaalsContact C-N 3.29Å; F62-N64 PolarHBondContact O-N 3.12Å; F62-L65 HydrophobicContact CD1-CD1 4.22Å; F62-L65 WeakPolarHBondContact O-CB 3.41Å; F62-L65 PolarHBondContact O-N 2.79Å; F62-Q66 PolarHBondContact O-N 2.69Å; F62-F74 HydrophobicContact CD1-CZ 4.03Å; F62-F74 AromaticContact CE1-CE1 3.9Å; F62-F74 HydrophobicContact CE1-CE1 3.9Å; F62-F74 HydrophobicContact CE1-CE2 4.28Å; F62-F74 AromaticContact CE1-CZ 3.43Å; F62-F74 HydrophobicContact CE1-CZ 3.43Å; F62-F74 VanDerWaalsContact CE1-CZ 3.43Å; F62-F74 HydrophobicContact CZ-CZ 4.19Å; F62-F125 HydrophobicContact CE1-CE2 4.24Å; F62-F125 HydrophobicContact CE1-CZ 4.01Å; F62-F125 HydrophobicContact CZ-CD2 4.45Å; F62-F125 HydrophobicContact CZ-CE1 4.05Å; F62-F125 AromaticContact CZ-CE2 3.77Å; F62-F125 HydrophobicContact CZ-CE2 3.77Å; F62-F125 AromaticContact CZ-CZ 3.53Å; F62-F125 HydrophobicContact CZ-CZ 3.53Å; F62-A128 HydrophobicContact CD2-CB 4.45Å; F62-A128 HydrophobicContact CE2-CB 4.06Å; F62-L129 HydrophobicContact CE1-CD1 4.38Å; F62-L129 VanDerWaalsContact CE2-CA 3.48Å; F62-L129 HydrophobicContact CE2-CB 3.91Å; F62-L129 HydrophobicContact CE2-CD1 4.13Å; F62-L129 HydrophobicContact CZ-CB 4.09Å; F62-L129 HydrophobicContact CZ-CD1 3.87Å; F62-F132 HydrophobicContact CB-CD1 3.78Å; F62-F132 HydrophobicContact CB-CD2 3.76Å; F62-F132 HydrophobicContact CB-CE1 3.6Å; F62-F132 HydrophobicContact CB-CE2 3.61Å; F62-F132 HydrophobicContact CB-CG 3.86Å; F62-F132 HydrophobicContact CB-CZ 3.52Å; F62-F132 AromaticContact CD2-CD2 3.6Å; F62-F132 HydrophobicContact CD2-CD2 3.6Å; F62-F132 AromaticContact CD2-CE2 3.73Å; F62-F132 HydrophobicContact CD2-CE2 3.73Å; F62-F132 HydrophobicContact CD2-CG 4.29Å; F62-F132 HydrophobicContact CD2-CZ 4.49Å; F62-F132 HydrophobicContact CG-CD2 4.08Å; F62-F132 HydrophobicContact CG-CE2 4.18Å; F62-F132 HydrophobicContact CG-CG 4.4Å; F62-F134 HydrophobicContact CB-CE2 3.86Å; F62-F134 HydrophobicContact CD1-CD2 4.47Å; F62-F134 HydrophobicContact CD1-CE2 4.14Å; F62-F134 HydrophobicContact CG-CD2 4.48Å; F62-F134 HydrophobicContact CG-CE2 4.02Å
63L92.8Very high94.2Very high34 Ų3428.6 Ų28.618%0.17815%0.148CC..Hα-helixtrans-61.2-39.3171.9-73.2166.9000111.4R59 S60 L65 Q66 C67 F132 L202R59-L63 HydrophobicContact CG-CD1 4.25Å; R59-L63 WeakPolarHBondContact O-CB 3.31Å; R59-L63 WeakPolarHBondContact O-CG 3.47Å; R59-L63 PolarHBondContact O-N 3.33Å; S60-L63 PolarHBondContact O-N 3.46Å; L63-L65 VanDerWaalsContact C-N 3.35Å; L63-L65 PolarHBondContact O-N 3.03Å; L63-Q66 PolarHBondContact O-N 2.78Å; L63-C67 WeakPolarHBondContact O-CB 3.22Å; L63-C67 PolarHBondContact O-N 3.15Å; L63-C67 PolarHBondContact O-SG 2.84Å; L63-F132 HydrophobicContact CD2-CE1 3.85Å; L63-F132 HydrophobicContact CD2-CZ 4.14Å; L63-F132 HydrophobicContact CG-CE1 3.94Å; L63-F132 HydrophobicContact CG-CZ 3.9Å; L63-L202 HydrophobicContact CB-CD1 3.41Å; L63-L202 VanDerWaalsContact CB-CD1 3.41Å; L63-L202 HydrophobicContact CD1-CD1 3.68Å; L63-L202 HydrophobicContact CG-CD1 4.15Å
64N92.2Very high94.4Very high21 Ų2127.2 Ų27.211%0.11214%0.139CC..Hα-helixtrans-64.6-37.2175.8-77.9-11.6000112.5S60 F61 F62 S68 M214S60-N64 WeakPolarHBondContact O-CB 3.36Å; S60-N64 PolarHBondContact O-N 3.48Å; F61-N64 PolarHBondContact O-N 3.19Å; F62-N64 VanDerWaalsContact C-N 3.29Å; F62-N64 PolarHBondContact O-N 3.12Å; N64-S68 VanDerWaalsContact O-CB 3.32Å; N64-S68 WeakPolarHBondContact O-CB 3.13Å; N64-S68 PolarHBondContact O-N 3.23Å; N64-S68 PolarHBondContact O-OG 3.29Å; N64-M214 HydrophobicContact CB-CE 4.24Å; N64-M214 HydrophobicContact CB-CG 4.19Å; N64-M214 HydrophobicContact CB-SD 3.95Å
65L94.2Very high94.5Very high0 Ų027.2 Ų27.20%014%0.139CC..Hα-helixtrans-61.6-48.3171.6-70170.4000110.9L22 F61 F62 L63 S68 N69 V70 P72 F74 M214L22-L65 HydrophobicContact CD2-CD2 4.19Å; F61-L65 HydrophobicContact CD1-CD1 4.12Å; F61-L65 HydrophobicContact CE1-CD1 3.6Å; F61-L65 HydrophobicContact CE1-CG 4.24Å; F61-L65 HydrophobicContact CZ-CD1 4.22Å; F61-L65 PolarHBondContact O-N 3.22Å; F61-L65 VanDerWaalsContact O-N 3.11Å; F62-L65 HydrophobicContact CD1-CD1 4.22Å; F62-L65 WeakPolarHBondContact O-CB 3.41Å; F62-L65 PolarHBondContact O-N 2.79Å; L63-L65 VanDerWaalsContact C-N 3.35Å; L63-L65 PolarHBondContact O-N 3.03Å; L65-S68 CarbonylContact O-C 3.55Å; L65-S68 PolarHBondContact O-N 3.39Å; L65-N69 PolarHBondContact O-N 3.21Å; L65-V70 HydrophobicContact CB-CB 4.28Å; L65-V70 HydrophobicContact CD2-CB 3.94Å; L65-V70 HydrophobicContact CD2-CG1 3.68Å; L65-V70 HydrophobicContact CD2-CG2 4.46Å; L65-V70 WeakPolarHBondContact O-CB 3.38Å; L65-V70 PolarHBondContact O-N 3.1Å; L65-P72 HydrophobicContact CD1-CB 4.2Å; L65-P72 HydrophobicContact CD1-CG 4.15Å; L65-F74 HydrophobicContact CD1-CZ 4.37Å; L65-M214 HydrophobicContact CB-SD 4.47Å; L65-M214 HydrophobicContact CD2-CE 4.31Å; L65-M214 HydrophobicContact CD2-SD 3.51Å; L65-M214 VanDerWaalsContact CD2-SD 3.51Å; L65-M214 HydrophobicContact CG-CE 4.49Å; L65-M214 HydrophobicContact CG-SD 3.85Å
66Q92.9Very high94.4Very high118 Ų11826.9 Ų26.955%0.55114%0.137SC*.Hα-helixtrans-63.7-44179.7-171179.1-4.800112.3F62 L63 S68 N69F62-Q66 PolarHBondContact O-N 2.69Å; L63-Q66 PolarHBondContact O-N 2.78Å; Q66-S68 PolarHBondContact O-N 3.2Å; Q66-N69 PolarHBondContact O-N 3.32Å
67C91.2Very high94.2Very high66 Ų6628.7 Ų28.745%0.44614%0.142SC..Hα-helixtrans-65.2-25.4175.8-71.90000113.1L63 N69 K212L63-C67 WeakPolarHBondContact O-CB 3.22Å; L63-C67 PolarHBondContact O-N 3.15Å; L63-C67 PolarHBondContact O-SG 2.84Å; C67-N69 VanDerWaalsContact C-N 3.28Å; C67-K212 HydrophobicContact CB-CB 4.24Å; C67-K212 HydrophobicContact CB-CD 3.94Å
68S92.3Very high93.7Very high2 Ų228.3 Ų28.31%0.01414%0.139CC..THydrogen-bonded Turntrans-89.97.3174.1-47.60000112.3K23 D24 N64 L65 Q66 V70 K212K23-S68 CarbonylContact C-O 3.45Å; K23-S68 VanDerWaalsContact CA-O 3.25Å; K23-S68 WeakPolarHBondContact CA-O 3.32Å; K23-S68 VanDerWaalsContact CG-O 3.26Å; K23-S68 WeakPolarHBondContact CG-O 3.17Å; D24-S68 PolarHBondContact N-O 3.45Å; N64-S68 VanDerWaalsContact O-CB 3.32Å; N64-S68 WeakPolarHBondContact O-CB 3.13Å; N64-S68 PolarHBondContact O-N 3.23Å; N64-S68 PolarHBondContact O-OG 3.29Å; L65-S68 CarbonylContact O-C 3.55Å; L65-S68 PolarHBondContact O-N 3.39Å; Q66-S68 PolarHBondContact O-N 3.2Å; S68-V70 PolarHBondContact O-N 3Å; S68-K212 VanDerWaalsContact CA-O 3.26Å; S68-K212 WeakPolarHBondContact CA-O 3.48Å; S68-K212 WeakPolarHBondContact CB-O 3.32Å; S68-K212 PolarHBondContact OG-O 3.28Å
69N93.9Very high92.3Very high107 Ų10730.1 Ų30.157%0.57215%0.152SC*.THydrogen-bonded Turntrans51.642.8-176.1-170.736.8000112.7D24 T25 L65 Q66 C67D24-N69 WeakPolarHBondContact CA-O 3.43Å; D24-N69 PolarHBondContact N-O 3.02Å; D24-N69 VanDerWaalsContact OD1-CB 3.31Å; D24-N69 WeakPolarHBondContact OD1-CB 3.35Å; D24-N69 PolarHBondContact OD1-ND2 2.86Å; T25-N69 PolarHBondContact N-O 3.2Å; L65-N69 PolarHBondContact O-N 3.21Å; Q66-N69 PolarHBondContact O-N 3.32Å; C67-N69 VanDerWaalsContact C-N 3.28Å
70V95.9Very high90.9Very high6 Ų626.2 Ų26.24%0.03614%0.138CC..EExtended strand (participates in β ladder)trans-98129.5178.2177.60000109.3L22 T25 V27 L65 S68 P72L22-V70 HydrophobicContact CD2-CG1 4.18Å; L22-V70 HydrophobicContact CD2-CG2 4.19Å; L22-V70 HydrophobicContact CG-CG1 4.39Å; L22-V70 HydrophobicContact CG-CG2 3.81Å; T25-V70 CarbonylContact O-C 3.4Å; T25-V70 VanDerWaalsContact O-CA 3.25Å; T25-V70 WeakPolarHBondContact O-CA 3.5Å; V27-V70 HydrophobicContact CB-CG1 4.03Å; V27-V70 HydrophobicContact CG1-CG1 3.41Å; V27-V70 VanDerWaalsContact CG1-CG1 3.41Å; L65-V70 HydrophobicContact CB-CB 4.28Å; L65-V70 HydrophobicContact CD2-CB 3.94Å; L65-V70 HydrophobicContact CD2-CG1 3.68Å; L65-V70 HydrophobicContact CD2-CG2 4.46Å; L65-V70 WeakPolarHBondContact O-CB 3.38Å; L65-V70 PolarHBondContact O-N 3.1Å; S68-V70 PolarHBondContact O-N 3Å; V70-P72 WeakPolarHBondContact O-CD 3.13Å
71E96.1Very high89.8Confident73 Ų7327 Ų2734%0.34114%0.142SC..EExtended strand (participates in β ladder)trans-99101.4175.6-171.9-164.7170.400110.6T25 K26 V27 Y73 K135T25-E71 PolarHBondContact O-N 3.45Å; K26-E71 CarbonylContact C-O 3.5Å; K26-E71 VanDerWaalsContact CA-O 3.31Å; K26-E71 WeakPolarHBondContact CA-O 3.49Å; K26-E71 VanDerWaalsContact CE-OE2 3.3Å; K26-E71 WeakPolarHBondContact CE-OE2 3.37Å; K26-E71 HydrophobicContact CG-CB 4.26Å; K26-E71 WeakPolarHBondContact CG-OE2 3.41Å; V27-E71 PolarHBondContact N-O 3.39Å; E71-Y73 HydrophobicContact CG-CE2 3.99Å; E71-Y73 PolarHBondContact OE1-OH 3.27Å; E71-K135 IonicContact OE1-NZ 3.67Å; E71-K135 PolarHBondContact OE1-NZ 3.4Å
72P97.2Very high88.4Confident1 Ų127.6 Ų27.61%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-86.1141.6-177.234.7-37.9000113.9V27 V29 L65 V70 F74 F134V27-P72 HydrophobicContact CG1-CB 3.93Å; V27-P72 CarbonylContact O-C 3.43Å; V27-P72 WeakPolarHBondContact O-CA 3.48Å; V29-P72 HydrophobicContact CG2-CB 4.37Å; L65-P72 HydrophobicContact CD1-CB 4.2Å; L65-P72 HydrophobicContact CD1-CG 4.15Å; V70-P72 WeakPolarHBondContact O-CD 3.13Å; P72-F74 HydrophobicContact CB-CD2 4.08Å; P72-F74 HydrophobicContact CB-CE2 3.46Å; P72-F74 VanDerWaalsContact CB-CE2 3.46Å; P72-F74 HydrophobicContact CB-CZ 3.8Å; P72-F74 HydrophobicContact CG-CD2 4.27Å; P72-F74 HydrophobicContact CG-CE2 3.45Å; P72-F74 VanDerWaalsContact CG-CE2 3.45Å; P72-F74 HydrophobicContact CG-CZ 4.04Å; P72-F134 HydrophobicContact CG-CB 4.02Å; P72-F134 HydrophobicContact CG-CD1 3.66Å; P72-F134 HydrophobicContact CG-CD2 3.59Å; P72-F134 HydrophobicContact CG-CE1 3.93Å; P72-F134 HydrophobicContact CG-CE2 3.83Å; P72-F134 HydrophobicContact CG-CG 3.5Å; P72-F134 VanDerWaalsContact CG-CG 3.5Å; P72-F134 HydrophobicContact CG-CZ 4.01Å
73Y97.3Very high87Confident2 Ų232.2 Ų32.21%0.00817%0.165CC..EExtended strand (participates in β ladder)trans-114.6100.6171.7-67.1-110000108.4K26 V27 V28 V29 E71 K135 L154 L331K26-Y73 HydrophobicContact CB-CE2 4.09Å; K26-Y73 HydrophobicContact CD-CE2 3.96Å; K26-Y73 HydrophobicContact CG-CE2 4Å; V27-Y73 PolarHBondContact O-N 2.71Å; V28-Y73 WeakPolarHBondContact CA-O 3.35Å; V29-Y73 PolarHBondContact N-O 3.46Å; E71-Y73 HydrophobicContact CG-CE2 3.99Å; E71-Y73 PolarHBondContact OE1-OH 3.27Å; Y73-K135 HydrophobicContact CD1-CB 4.16Å; Y73-K135 HydrophobicContact CD1-CD 3.71Å; Y73-K135 HydrophobicContact CE1-CD 3.26Å; Y73-K135 HydrophobicContact CE2-CD 4.4Å; Y73-K135 HydrophobicContact CG-CD 4.48Å; Y73-K135 PolarHBondContact OH-NZ 2.83Å; Y73-L154 HydrophobicContact CD1-CD1 3.84Å; Y73-L154 HydrophobicContact CD2-CD1 3.9Å; Y73-L154 HydrophobicContact CE1-CD1 3.77Å; Y73-L154 HydrophobicContact CE2-CD1 3.9Å; Y73-L154 HydrophobicContact CG-CD1 3.9Å; Y73-L331 HydrophobicContact CD1-CB 4.34Å; Y73-L331 HydrophobicContact CD1-CD1 4.22Å; Y73-L331 HydrophobicContact CD1-CD2 4.43Å; Y73-L331 HydrophobicContact CE1-CB 4.45Å
74F97.5Very high85.8Confident0 Ų030.6 Ų30.60%016%0.157CC..EExtended strand (participates in β ladder)trans-84.7123.5-176.4-71.9-79.5000111.7V29 T31 L34 F62 L65 P72 F125 L129 F134 K135 C136 I137V29-F74 HydrophobicContact CB-CD1 3.79Å; V29-F74 HydrophobicContact CB-CE1 3.93Å; V29-F74 HydrophobicContact CG1-CD1 3.95Å; V29-F74 HydrophobicContact CG1-CE1 3.85Å; V29-F74 HydrophobicContact CG2-CD1 4.37Å; V29-F74 HydrophobicContact CG2-CE1 4.11Å; T31-F74 HydrophobicContact CG2-CD1 4.49Å; T31-F74 WeakPolarHBondContact OG1-CB 3.27Å; L34-F74 HydrophobicContact CD2-CE1 3.82Å; F62-F74 HydrophobicContact CD1-CZ 4.03Å; F62-F74 AromaticContact CE1-CE1 3.9Å; F62-F74 HydrophobicContact CE1-CE1 3.9Å; F62-F74 HydrophobicContact CE1-CE2 4.28Å; F62-F74 AromaticContact CE1-CZ 3.43Å; F62-F74 HydrophobicContact CE1-CZ 3.43Å; F62-F74 VanDerWaalsContact CE1-CZ 3.43Å; F62-F74 HydrophobicContact CZ-CZ 4.19Å; L65-F74 HydrophobicContact CD1-CZ 4.37Å; P72-F74 HydrophobicContact CB-CD2 4.08Å; P72-F74 HydrophobicContact CB-CE2 3.46Å; P72-F74 VanDerWaalsContact CB-CE2 3.46Å; P72-F74 HydrophobicContact CB-CZ 3.8Å; P72-F74 HydrophobicContact CG-CD2 4.27Å; P72-F74 HydrophobicContact CG-CE2 3.45Å; P72-F74 VanDerWaalsContact CG-CE2 3.45Å; P72-F74 HydrophobicContact CG-CZ 4.04Å; F74-F125 HydrophobicContact CD1-CZ 4.38Å; F74-F125 HydrophobicContact CE1-CZ 4.15Å; F74-L129 HydrophobicContact CB-CD2 4.21Å; F74-L129 HydrophobicContact CD2-CD1 3.41Å; F74-L129 VanDerWaalsContact CD2-CD1 3.41Å; F74-L129 HydrophobicContact CD2-CD2 4.2Å; F74-L129 HydrophobicContact CD2-CG 4.44Å; F74-L129 HydrophobicContact CE2-CD1 3.34Å; F74-L129 HydrophobicContact CG-CD1 4.06Å; F74-L129 HydrophobicContact CG-CD2 4.13Å; F74-L129 HydrophobicContact CZ-CD1 3.99Å; F74-F134 HydrophobicContact CD2-CB 3.99Å; F74-F134 HydrophobicContact CE2-CB 3.82Å; F74-F134 AromaticContact CE2-CD2 3.66Å; F74-F134 HydrophobicContact CE2-CD2 3.66Å; F74-F134 HydrophobicContact CE2-CG 4.07Å; F74-F134 HydrophobicContact CZ-CD2 4.37Å; F74-K135 WeakPolarHBondContact CB-O 3.27Å; F74-K135 PolarHBondContact N-O 3.35Å; F74-C136 HydrophobicContact CB-CB 4.03Å; F74-C136 VanDerWaalsContact O-CA 3.32Å; F74-C136 WeakPolarHBondContact O-CA 3.24Å; F74-I137 PolarHBondContact O-N 3.05Å
75I96.4Very high84.7Confident0 Ų031.5 Ų31.50%016%0.159CC..EExtended strand (participates in β ladder)trans-111.1111.9-179.3-52.8-56.1000109.3V28 V29 T31 I137 V139 P143 C147 I150 L331V28-I75 HydrophobicContact CG1-CG1 3.72Å; V29-I75 PolarHBondContact O-N 3.08Å; T31-I75 WeakPolarHBondContact CB-O 3.37Å; T31-I75 PolarHBondContact N-O 3.23Å; T31-I75 PolarHBondContact OG1-N 3.28Å; T31-I75 PolarHBondContact OG1-O 2.81Å; I75-I137 WeakPolarHBondContact CA-O 3.42Å; I75-I137 HydrophobicContact CD1-CG2 3.77Å; I75-V139 HydrophobicContact CG2-CB 4.4Å; I75-V139 HydrophobicContact CG2-CG1 3.53Å; I75-V139 HydrophobicContact CG2-CG2 3.92Å; I75-P143 HydrophobicContact CG2-CB 4.48Å; I75-C147 WeakPolarHBondContact CB-SG 3.41Å; I75-I150 HydrophobicContact CD1-CD1 3.61Å; I75-I150 HydrophobicContact CG1-CD1 4.3Å; I75-L331 HydrophobicContact CD1-CD1 4.17Å
76L95Very high83.6Confident1 Ų131.8 Ų31.81%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-90140.9177.6-64.4161000110.5T31 G78 R122 M126 C136 I137 R138 V139T31-L76 HydrophobicContact CG2-CD2 3.43Å; T31-L76 VanDerWaalsContact CG2-CD2 3.43Å; T31-L76 HydrophobicContact CG2-CG 4.33Å; L76-G78 PolarHBondContact O-N 3.26Å; L76-R122 VanDerWaalsContact CD2-NH2 3.28Å; L76-M126 HydrophobicContact CD1-CE 3.9Å; L76-M126 HydrophobicContact CD1-SD 4.05Å; L76-M126 HydrophobicContact CD2-SD 3.66Å; L76-M126 HydrophobicContact CG-SD 4.43Å; L76-C136 WeakPolarHBondContact CD1-SG 3.48Å; L76-I137 PolarHBondContact N-O 3.47Å; L76-R138 HydrophobicContact CB-CB 3.86Å; L76-R138 HydrophobicContact CB-CG 3.96Å; L76-R138 HydrophobicContact CD1-CB 4.29Å; L76-R138 CarbonylContact O-C 3.55Å; L76-R138 VanDerWaalsContact O-CA 3.29Å; L76-R138 WeakPolarHBondContact O-CA 2.87Å; L76-V139 WeakPolarHBondContact O-CG2 3.48Å; L76-V139 PolarHBondContact O-N 2.92Å
77R89.1Confident82.8Confident59 Ų5927.3 Ų27.322%0.22314%0.141CC..EExtended strand (participates in β ladder)trans-69.1130.1170-172.3177.1-61.4169.14.4111.6M1 D32 R138 P143M1-R77 VanDerWaalsContact CE-NH1 3.35Å; M1-R77 PolarHBondContact SD-NH1 2.74Å; D32-R77 WeakPolarHBondContact OD2-CB 3.06Å; D32-R77 PolarHBondContact OD2-N 3.34Å; R77-R138 WeakPolarHBondContact O-CG 3.47Å; R77-R138 PolarHBondContact O-NH1 3.2Å; R77-P143 HydrophobicContact CB-CG 4.24Å; R77-P143 HydrophobicContact CG-CG 4.33Å
78G81.7Confident82.2Confident1 Ų132.3 Ų32.31%0.0116%0.155CC..  trans-128.9-3168.900000114.3L76 C80 V139 Y373L76-G78 PolarHBondContact O-N 3.26Å; G78-C80 PolarHBondContact O-N 2.88Å; G78-V139 CarbonylContact C-O 3.53Å; G78-V139 WeakPolarHBondContact CA-O 3.45Å; G78-V139 PolarHBondContact N-O 3.46Å; G78-Y373 PolarHBondContact O-OH 3.41Å
79C67.3Low81.6Confident38 Ų3836 Ų3626%0.25717%0.169SC..  trans-62.5128.5179.862.40000112.1V139 K140C79-V139 PolarHBondContact N-O 2.81Å; C79-K140 WeakPolarHBondContact CA-O 3.48Å; C79-K140 VanDerWaalsContact CB-O 3.26Å; C79-K140 WeakPolarHBondContact CB-O 3.3Å
80C64.1Low81.1Confident12 Ų1233.6 Ų33.68%0.08115%0.153CC..  trans-101118163.9-67.60000107.1G78 M82 Y373G78-C80 PolarHBondContact O-N 2.88Å; C80-M82 VanDerWaalsContact C-N 3.31Å; C80-M82 PolarHBondContact O-N 2.93Å; C80-Y373 HydrophobicContact CB-CD1 4.09Å; C80-Y373 HydrophobicContact CB-CE1 3.69Å
81D69.5Low80.6Confident27 Ų2734.5 Ų34.514%0.14416%0.157CC..  trans-69.393.5170.71804.1000108.3K83 N84 K85 H86 S398D81-K83 PolarHBondContact O-N 3.44Å; D81-K83 PolarHBondContact OD1-N 3.12Å; D81-N84 PolarHBondContact O-N 3.31Å; D81-N84 PolarHBondContact OD1-N 2.93Å; D81-N84 VanDerWaalsContact OD2-C 3.24Å; D81-N84 WeakPolarHBondContact OD2-CA 3.26Å; D81-N84 PolarHBondContact OD2-N 3.2Å; D81-K85 PolarHBondContact OD2-N 3.45Å; D81-H86 IonicContact OD2-CD2 3.89Å; D81-H86 PolarHBondContact OD2-CD2 3.43Å; D81-H86 VanDerWaalsContact OD2-CD2 3.24Å; D81-S398 PolarHBondContact O-OG 2.84Å
82M63.6Low80.1Confident12 Ų1238.3 Ų38.36%0.05917%0.169CC..THydrogen-bonded Turntrans-55.8-33.8-177.2-58.4-67.7-73.300111.5C80 E371 Y373 Y397 S399 V446C80-M82 VanDerWaalsContact C-N 3.31Å; C80-M82 PolarHBondContact O-N 2.93Å; M82-E371 HydrophobicContact CE-CB 4.44Å; M82-Y373 HydrophobicContact SD-CD1 4.35Å; M82-Y397 WeakPolarHBondContact CE-O 3.32Å; M82-S399 WeakPolarHBondContact O-CB 3.41Å; M82-S399 PolarHBondContact O-N 3.03Å; M82-S399 PolarHBondContact O-OG 3.08Å; M82-V446 HydrophobicContact CE-CG1 4.35Å; M82-V446 HydrophobicContact CE-CG2 3.56Å
83K67.9Low79.5Confident96 Ų9644.5 Ų44.542%0.41719%0.192SC..THydrogen-bonded Turntrans-91-10.7179.4-65.3-176-179.3174.80113.3D81 K85 R400D81-K83 PolarHBondContact O-N 3.44Å; D81-K83 PolarHBondContact OD1-N 3.12Å; K83-K85 VanDerWaalsContact C-N 3.26Å; K83-K85 HydrophobicContact CB-CG 4.17Å; K83-K85 PolarHBondContact O-N 2.87Å; K83-R400 WeakPolarHBondContact O-CD 3.45Å; K83-R400 PolarHBondContact O-NE 2.95Å
84N67.2Low79.1Confident1 Ų145 Ų451%0.00519%0.194CC..  trans41.951-174.7-151.71.1000112.5D81 H86 L87 K90 S398 R400 G401D81-N84 PolarHBondContact O-N 3.31Å; D81-N84 PolarHBondContact OD1-N 2.93Å; D81-N84 VanDerWaalsContact OD2-C 3.24Å; D81-N84 WeakPolarHBondContact OD2-CA 3.26Å; D81-N84 PolarHBondContact OD2-N 3.2Å; N84-H86 PolarHBondContact O-N 3.1Å; N84-H86 VanDerWaalsContact O-N 3.09Å; N84-L87 WeakPolarHBondContact ND2-CD1 3.45Å; N84-L87 WeakPolarHBondContact O-CB 3.38Å; N84-L87 PolarHBondContact O-N 2.85Å; N84-K90 PolarHBondContact OD1-NZ 3.48Å; N84-S398 WeakPolarHBondContact CB-OG 3.4Å; N84-R400 HydrophobicContact CB-CB 3.82Å; N84-R400 HydrophobicContact CB-CG 4.1Å; N84-G401 PolarHBondContact ND2-O 3.01Å
85K68.2Low78.6Confident39 Ų3946.4 Ų46.417%0.1720%0.2CC..THydrogen-bonded Turntrans-58.7-25.2-179.8-70.7-161176.4-1610111.8D81 K83 L87 V245 N308 D309 H312D81-K85 PolarHBondContact OD2-N 3.45Å; K83-K85 VanDerWaalsContact C-N 3.26Å; K83-K85 HydrophobicContact CB-CG 4.17Å; K83-K85 PolarHBondContact O-N 2.87Å; K85-L87 VanDerWaalsContact C-N 3.29Å; K85-L87 PolarHBondContact O-N 2.93Å; K85-V245 HydrophobicContact CB-CG1 3.76Å; K85-V245 HydrophobicContact CD-CG1 4.05Å; K85-N308 PolarHBondContact NZ-O 3.14Å; K85-D309 IonicContact NZ-OD1 3.42Å; K85-D309 PolarHBondContact NZ-OD1 3.01Å; K85-H312 HydrophobicContact CD-CB 4.24Å
86H70.5Confident78.2Confident7 Ų749.8 Ų49.83%0.03222%0.219CC..THydrogen-bonded Turntrans-76.3-1.1175.6-60.9-72.1000116.1D81 N84 K88 Y89 K90 D244 V245 R316D81-H86 IonicContact OD2-CD2 3.89Å; D81-H86 PolarHBondContact OD2-CD2 3.43Å; D81-H86 VanDerWaalsContact OD2-CD2 3.24Å; N84-H86 PolarHBondContact O-N 3.1Å; N84-H86 VanDerWaalsContact O-N 3.09Å; H86-K88 VanDerWaalsContact C-N 3.32Å; H86-K88 PolarHBondContact O-N 3.41Å; H86-Y89 PolarHBondContact O-N 3.16Å; H86-K90 HydrophobicContact CB-CD 4.22Å; H86-K90 HydrophobicContact CB-CG 4.19Å; H86-K90 PolarHBondContact O-N 3.31Å; H86-D244 IonicContact CE1-OD1 2.65Å; H86-D244 PolarHBondContact CE1-OD1 3.32Å; H86-D244 IonicContact CE1-OD2 2.73Å; H86-D244 PolarHBondContact ND1-O 3.25Å; H86-D244 IonicContact ND1-OD1 2.9Å; H86-D244 IonicContact ND1-OD2 2.88Å; H86-V245 WeakPolarHBondContact CE1-CG2 3.47Å; H86-V245 PolarHBondContact CE1-N 3.43Å; H86-V245 PolarHBondContact ND1-N 2.92Å; H86-R316 PolarHBondContact CE1-NH1 3.22Å
87L76.2Confident77.9Confident24 Ų2451.2 Ų51.213%0.12623%0.226CC..Hα-helixtrans-50.7-50.2-169.8-173.779.3000112.3N84 K85 Y89 K90 Q91 R400 F403 Y455N84-L87 WeakPolarHBondContact ND2-CD1 3.45Å; N84-L87 WeakPolarHBondContact O-CB 3.38Å; N84-L87 PolarHBondContact O-N 2.85Å; K85-L87 VanDerWaalsContact C-N 3.29Å; K85-L87 PolarHBondContact O-N 2.93Å; L87-Y89 VanDerWaalsContact C-N 3.33Å; L87-Y89 PolarHBondContact O-N 3.04Å; L87-K90 PolarHBondContact O-N 3.17Å; L87-Q91 VanDerWaalsContact O-CB 3.28Å; L87-Q91 WeakPolarHBondContact O-CB 3.3Å; L87-Q91 PolarHBondContact O-N 2.88Å; L87-R400 HydrophobicContact CD1-CB 4.22Å; L87-R400 HydrophobicContact CD2-CB 4.09Å; L87-F403 HydrophobicContact CD1-CD2 4.48Å; L87-F403 HydrophobicContact CD1-CE2 3.46Å; L87-F403 VanDerWaalsContact CD1-CE2 3.46Å; L87-F403 HydrophobicContact CD1-CZ 3.86Å; L87-F403 HydrophobicContact CG-CE2 4.24Å; L87-F403 HydrophobicContact CG-CZ 4.42Å; L87-Y455 HydrophobicContact CD1-CD2 4.38Å; L87-Y455 HydrophobicContact CD1-CE2 3.53Å
88K79.4Confident77.8Confident171 Ų17149 Ų4974%0.74322%0.219SC*.Hα-helixtrans-61.5-40.2-179.2-66.6-174.3179-178.40112.6H86 R92H86-K88 VanDerWaalsContact C-N 3.32Å; H86-K88 PolarHBondContact O-N 3.41Å; K88-R92 WeakPolarHBondContact O-CB 3.43Å; K88-R92 PolarHBondContact O-N 2.85Å
89Y80.1Confident78.2Confident78 Ų7850.9 Ų50.931%0.30623%0.231SC..Hα-helixtrans-68.1-46.9177.7176.5-92.6000111.3L4 H86 L87 R92 R93 D244L4-Y89 HydrophobicContact CD2-CE2 3.92Å; H86-Y89 PolarHBondContact O-N 3.16Å; L87-Y89 VanDerWaalsContact C-N 3.33Å; L87-Y89 PolarHBondContact O-N 3.04Å; Y89-R92 PolarHBondContact O-N 3.23Å; Y89-R93 WeakPolarHBondContact O-CB 3.41Å; Y89-R93 PolarHBondContact O-N 3.24Å; Y89-D244 WeakPolarHBondContact CB-O 3.34Å; Y89-D244 HydrophobicContact CD1-CB 3.61Å; Y89-D244 HydrophobicContact CD2-CB 4.28Å; Y89-D244 HydrophobicContact CE1-CB 3.72Å; Y89-D244 HydrophobicContact CE2-CB 4.37Å; Y89-D244 HydrophobicContact CG-CB 3.91Å
90K83.4Confident79.3Confident57 Ų5754 Ų5425%0.24824%0.242CC..Hα-helixtrans-58.8-48.5175.7-71.1177.1-175.7165.50110.4N84 H86 L87 R92 R93 E94 F403N84-K90 PolarHBondContact OD1-NZ 3.48Å; H86-K90 HydrophobicContact CB-CD 4.22Å; H86-K90 HydrophobicContact CB-CG 4.19Å; H86-K90 PolarHBondContact O-N 3.31Å; L87-K90 PolarHBondContact O-N 3.17Å; K90-R92 PolarHBondContact O-N 3.16Å; K90-R93 PolarHBondContact O-N 2.92Å; K90-R93 VanDerWaalsContact O-N 3.14Å; K90-E94 WeakPolarHBondContact O-CG 3.47Å; K90-E94 PolarHBondContact O-N 3.39Å; K90-F403 HydrophobicContact CB-CD2 3.54Å; K90-F403 HydrophobicContact CB-CE2 3.51Å; K90-F403 HydrophobicContact CB-CG 4.37Å; K90-F403 HydrophobicContact CB-CZ 4.39Å; K90-F403 HydrophobicContact CD-CD2 3.98Å; K90-F403 HydrophobicContact CD-CE2 4.37Å; K90-F403 HydrophobicContact CG-CD2 4.4Å
91Q85.8Confident80.4Confident26 Ų2653.7 Ų53.712%0.12124%0.239CC..Hα-helixtrans-54.6-50.3176.5-168.1-173.3-700111.7L87 R93 E94 F95 F403 L462 L708L87-Q91 VanDerWaalsContact O-CB 3.28Å; L87-Q91 WeakPolarHBondContact O-CB 3.3Å; L87-Q91 PolarHBondContact O-N 2.88Å; Q91-R93 VanDerWaalsContact C-N 3.34Å; Q91-R93 PolarHBondContact O-N 3.3Å; Q91-E94 PolarHBondContact O-N 2.99Å; Q91-F95 WeakPolarHBondContact O-CB 3.47Å; Q91-F95 PolarHBondContact O-N 3.4Å; Q91-F403 HydrophobicContact CB-CE1 4.07Å; Q91-F403 HydrophobicContact CB-CE2 4.5Å; Q91-F403 HydrophobicContact CB-CZ 3.61Å; Q91-F403 HydrophobicContact CG-CE1 4.27Å; Q91-F403 HydrophobicContact CG-CZ 4.15Å; Q91-L462 HydrophobicContact CG-CD2 4.02Å; Q91-L708 HydrophobicContact CG-CD1 4.23Å
92R84.7Confident81.2Confident153 Ų15353.2 Ų53.258%0.57724%0.237SC*.Hα-helixtrans-61.9-41.4178.3-175.5176.6-178-173.80112K88 Y89 K90 N96K88-R92 WeakPolarHBondContact O-CB 3.43Å; K88-R92 PolarHBondContact O-N 2.85Å; Y89-R92 PolarHBondContact O-N 3.23Å; K90-R92 PolarHBondContact O-N 3.16Å; R92-N96 WeakPolarHBondContact O-CB 3.27Å; R92-N96 PolarHBondContact O-N 3.12Å; R92-N96 PolarHBondContact O-ND2 3.09Å
93R85.3Confident82.5Confident130 Ų13056.4 Ų56.449%0.49126%0.257SS..Hα-helixtrans-63.9-51177.6176.7179.8172.7-103.33.6111.2Y89 K90 Q91 F95 N96 L97Y89-R93 WeakPolarHBondContact O-CB 3.41Å; Y89-R93 PolarHBondContact O-N 3.24Å; K90-R93 PolarHBondContact O-N 2.92Å; K90-R93 VanDerWaalsContact O-N 3.14Å; Q91-R93 VanDerWaalsContact C-N 3.34Å; Q91-R93 PolarHBondContact O-N 3.3Å; R93-F95 VanDerWaalsContact C-N 3.34Å; R93-N96 PolarHBondContact O-N 2.73Å; R93-L97 HydrophobicContact CG-CD1 4.07Å; R93-L97 WeakPolarHBondContact O-CG 3.49Å; R93-L97 PolarHBondContact O-N 3.14Å
94E87.8Confident83.5Confident13 Ų1352 Ų526%0.06124%0.239CC..Hα-helixtrans-64.7-40-180-62.2-44.7118.700111K90 Q91 N96 L97 L98 F403 T406 L462K90-E94 WeakPolarHBondContact O-CG 3.47Å; K90-E94 PolarHBondContact O-N 3.39Å; Q91-E94 PolarHBondContact O-N 2.99Å; E94-N96 PolarHBondContact O-N 2.65Å; E94-L97 PolarHBondContact O-N 3.38Å; E94-L98 VanDerWaalsContact O-CB 3.24Å; E94-L98 WeakPolarHBondContact O-CB 3.31Å; E94-L98 PolarHBondContact O-N 3.25Å; E94-F403 HydrophobicContact CB-CD1 4.35Å; E94-F403 HydrophobicContact CG-CB 4.16Å; E94-F403 HydrophobicContact CG-CD1 3.97Å; E94-F403 HydrophobicContact CG-CG 4.14Å; E94-T406 WeakPolarHBondContact OE2-CB 3.49Å; E94-T406 PolarHBondContact OE2-OG1 3.48Å; E94-L462 HydrophobicContact CB-CD2 4.36Å
95F87Confident84.5Confident30 Ų3052.9 Ų52.913%0.13224%0.243CC..Hα-helixtrans-60.2-45.9174.2-178.7-93.4000112.5Q91 R93 L98 S99 Y712Q91-F95 WeakPolarHBondContact O-CB 3.47Å; Q91-F95 PolarHBondContact O-N 3.4Å; R93-F95 VanDerWaalsContact C-N 3.34Å; F95-L98 PolarHBondContact O-N 2.78Å; F95-S99 WeakPolarHBondContact O-CB 3.32Å; F95-S99 PolarHBondContact O-N 2.82Å; F95-S99 PolarHBondContact O-OG 2.97Å; F95-Y712 VanDerWaalsContact CE1-O 3.3Å; F95-Y712 WeakPolarHBondContact CE1-O 3.31Å; F95-Y712 VanDerWaalsContact CZ-O 3.24Å; F95-Y712 WeakPolarHBondContact CZ-O 3.19Å
96N88.4Confident85.3Confident71 Ų7157 Ų5738%0.3826%0.261SS..Hα-helixtrans-63.8-42.8177.2-73.3-17.5000111.7R92 R93 E94 Q100R92-N96 WeakPolarHBondContact O-CB 3.27Å; R92-N96 PolarHBondContact O-N 3.12Å; R92-N96 PolarHBondContact O-ND2 3.09Å; R93-N96 PolarHBondContact O-N 2.73Å; E94-N96 PolarHBondContact O-N 2.65Å; N96-Q100 WeakPolarHBondContact O-CB 3.06Å; N96-Q100 VanDerWaalsContact O-CG 3.26Å; N96-Q100 WeakPolarHBondContact O-CG 3.27Å; N96-Q100 PolarHBondContact O-N 3.31Å
97L88.3Confident86.1Confident30 Ų3062.2 Ų62.216%0.15729%0.288CS..Hα-helixtrans-62.5-49.8176.5-73.4172.7000110.6R93 E94 S99 Q100 H101 P114 T406R93-L97 HydrophobicContact CG-CD1 4.07Å; R93-L97 WeakPolarHBondContact O-CG 3.49Å; R93-L97 PolarHBondContact O-N 3.14Å; E94-L97 PolarHBondContact O-N 3.38Å; L97-S99 VanDerWaalsContact C-N 3.34Å; L97-S99 PolarHBondContact O-N 2.99Å; L97-Q100 PolarHBondContact O-N 3.4Å; L97-H101 PolarHBondContact O-N 3.47Å; L97-H101 PolarHBondContact O-ND1 2.96Å; L97-P114 HydrophobicContact CD2-CB 4.21Å; L97-P114 HydrophobicContact CD2-CG 4.28Å; L97-T406 HydrophobicContact CB-CG2 4.33Å
98L88.3Confident86.4Confident14 Ų1465.5 Ų65.57%0.07331%0.306CS..Hα-helixtrans-57.1-47.5178.3177.461.3000111.4E94 F95 Q100 H101 I102 R457E94-L98 VanDerWaalsContact O-CB 3.24Å; E94-L98 WeakPolarHBondContact O-CB 3.31Å; E94-L98 PolarHBondContact O-N 3.25Å; F95-L98 PolarHBondContact O-N 2.78Å; L98-Q100 VanDerWaalsContact C-N 3.32Å; L98-Q100 PolarHBondContact O-N 3.25Å; L98-H101 PolarHBondContact O-N 2.92Å; L98-I102 HydrophobicContact CD1-CD1 3.67Å; L98-I102 HydrophobicContact CD1-CG1 4.06Å; L98-I102 HydrophobicContact CD2-CD1 4.44Å; L98-I102 HydrophobicContact CG-CD1 3.7Å; L98-I102 HydrophobicContact CG-CG1 4.47Å; L98-I102 WeakPolarHBondContact O-CG1 3.38Å; L98-I102 PolarHBondContact O-N 2.68Å; L98-R457 HydrophobicContact CD1-CB 4.38Å; L98-R457 VanDerWaalsContact CD1-CD 3.46Å; L98-R457 HydrophobicContact CD1-CG 3.73Å; L98-R457 HydrophobicContact CD2-CG 4.04Å
99S88.5Confident86.7Confident39 Ų3958 Ų5827%0.27328%0.276SS..Hα-helixtrans-59.6-42.1178.3-60.10000112.2F95 L97 T103F95-S99 WeakPolarHBondContact O-CB 3.32Å; F95-S99 PolarHBondContact O-N 2.82Å; F95-S99 PolarHBondContact O-OG 2.97Å; L97-S99 VanDerWaalsContact C-N 3.34Å; L97-S99 PolarHBondContact O-N 2.99Å; S99-T103 VanDerWaalsContact O-CB 3.32Å; S99-T103 WeakPolarHBondContact O-CB 3.31Å; S99-T103 PolarHBondContact O-N 3.33Å; S99-T103 PolarHBondContact O-OG1 3.37Å
100Q90.3Very high86.8Confident104 Ų10456 Ų5649%0.48627%0.273SS..Hα-helixtrans-66.3-43.2176.4-73.3172.113.700112N96 L97 L98 T103 A104 P114N96-Q100 WeakPolarHBondContact O-CB 3.06Å; N96-Q100 VanDerWaalsContact O-CG 3.26Å; N96-Q100 WeakPolarHBondContact O-CG 3.27Å; N96-Q100 PolarHBondContact O-N 3.31Å; L97-Q100 PolarHBondContact O-N 3.4Å; L98-Q100 VanDerWaalsContact C-N 3.32Å; L98-Q100 PolarHBondContact O-N 3.25Å; Q100-T103 PolarHBondContact O-N 2.93Å; Q100-A104 VanDerWaalsContact O-CB 3.3Å; Q100-A104 WeakPolarHBondContact O-CB 3.18Å; Q100-A104 PolarHBondContact O-N 3.31Å; Q100-P114 HydrophobicContact CB-CG 3.99Å
101H88.1Confident86.8Confident5 Ų559.5 Ų59.52%0.02329%0.294CS..Hα-helixtrans-59.2-53.5175.3-7789000111.2L97 L98 T103 A104 L105 P114 V116L97-H101 PolarHBondContact O-N 3.47Å; L97-H101 PolarHBondContact O-ND1 2.96Å; L98-H101 PolarHBondContact O-N 2.92Å; H101-T103 VanDerWaalsContact C-N 3.29Å; H101-T103 PolarHBondContact O-N 2.76Å; H101-A104 PolarHBondContact O-N 3.14Å; H101-L105 WeakPolarHBondContact O-CB 3.29Å; H101-L105 VanDerWaalsContact O-CG 3.25Å; H101-L105 WeakPolarHBondContact O-CG 3.2Å; H101-L105 PolarHBondContact O-N 3.28Å; H101-P114 WeakPolarHBondContact CE1-CG 3.33Å; H101-P114 WeakPolarHBondContact ND1-CG 3.27Å; H101-V116 WeakPolarHBondContact CE1-CG1 3.39Å; H101-V116 WeakPolarHBondContact NE2-CG1 3.22Å
102I87.4Confident86.9Confident17 Ų1764.9 Ų64.99%0.08732%0.317CS..Hα-helixtrans-58-45.6-178.9-69164.7000110.2L98 L105 K106 P411 D460L98-I102 HydrophobicContact CD1-CD1 3.67Å; L98-I102 HydrophobicContact CD1-CG1 4.06Å; L98-I102 HydrophobicContact CD2-CD1 4.44Å; L98-I102 HydrophobicContact CG-CD1 3.7Å; L98-I102 HydrophobicContact CG-CG1 4.47Å; L98-I102 WeakPolarHBondContact O-CG1 3.38Å; L98-I102 PolarHBondContact O-N 2.68Å; I102-L105 PolarHBondContact O-N 2.75Å; I102-K106 HydrophobicContact CG2-CD 3.7Å; I102-K106 VanDerWaalsContact CG2-CE 3.43Å; I102-K106 HydrophobicContact CG2-CG 4.21Å; I102-K106 VanDerWaalsContact O-CB 3.3Å; I102-K106 WeakPolarHBondContact O-CB 3.49Å; I102-K106 VanDerWaalsContact O-CG 3.29Å; I102-K106 WeakPolarHBondContact O-CG 3.36Å; I102-K106 PolarHBondContact O-N 2.99Å; I102-P411 HydrophobicContact CG2-CB 4.4Å; I102-D460 HydrophobicContact CD1-CB 3.95Å
103T90.4Very high86.9Confident79 Ų7958.4 Ų58.449%0.48529%0.294SS..Hα-helixtrans-62-48.3179.1-56.80000111.1S99 Q100 H101 L105 K106 L107S99-T103 VanDerWaalsContact O-CB 3.32Å; S99-T103 WeakPolarHBondContact O-CB 3.31Å; S99-T103 PolarHBondContact O-N 3.33Å; S99-T103 PolarHBondContact O-OG1 3.37Å; Q100-T103 PolarHBondContact O-N 2.93Å; H101-T103 VanDerWaalsContact C-N 3.29Å; H101-T103 PolarHBondContact O-N 2.76Å; T103-L105 PolarHBondContact O-N 2.85Å; T103-K106 PolarHBondContact O-N 3.36Å; T103-L107 HydrophobicContact CG2-CD1 3.9Å; T103-L107 WeakPolarHBondContact O-CB 3.49Å; T103-L107 WeakPolarHBondContact O-CG 3.3Å; T103-L107 PolarHBondContact O-N 3.12Å
104A89Confident86.9Confident4 Ų453.3 Ų53.33%0.03328%0.278CS..Hα-helixtrans-61.5-42.5179.400000112.1Q100 H101 L107 N108 A109 K112 V113Q100-A104 VanDerWaalsContact O-CB 3.3Å; Q100-A104 WeakPolarHBondContact O-CB 3.18Å; Q100-A104 PolarHBondContact O-N 3.31Å; H101-A104 PolarHBondContact O-N 3.14Å; A104-L107 CarbonylContact O-C 3.34Å; A104-L107 PolarHBondContact O-N 3.19Å; A104-N108 PolarHBondContact O-N 2.76Å; A104-A109 PolarHBondContact O-N 3.09Å; A104-K112 HydrophobicContact CB-CB 4.04Å; A104-V113 HydrophobicContact CB-CG2 3.78Å
105L87Confident86.9Confident20 Ų2059.3 Ų59.311%0.10530%0.304CS..Hα-helixtrans-72-40.4-179.8-66.8176.5000112.7H101 I102 T103 L107 N108 V113 V408 E409 P411 Y580 A582H101-L105 WeakPolarHBondContact O-CB 3.29Å; H101-L105 VanDerWaalsContact O-CG 3.25Å; H101-L105 WeakPolarHBondContact O-CG 3.2Å; H101-L105 PolarHBondContact O-N 3.28Å; I102-L105 PolarHBondContact O-N 2.75Å; T103-L105 PolarHBondContact O-N 2.85Å; L105-L107 PolarHBondContact O-N 3.3Å; L105-N108 PolarHBondContact O-N 3.48Å; L105-V113 HydrophobicContact CD2-CG2 3.97Å; L105-V113 HydrophobicContact CG-CG2 4.33Å; L105-V408 HydrophobicContact CD1-CG1 4.21Å; L105-E409 WeakPolarHBondContact CD1-O 3.4Å; L105-P411 HydrophobicContact CB-CG 4.03Å; L105-Y580 HydrophobicContact CD2-CD1 4.21Å; L105-Y580 HydrophobicContact CD2-CE1 3.49Å; L105-Y580 VanDerWaalsContact CD2-CE1 3.49Å; L105-A582 HydrophobicContact CD1-CB 4.36Å; L105-A582 HydrophobicContact CD2-CB 4.26Å
106K86.1Confident87Confident125 Ų12558.6 Ų58.654%0.54330%0.302SS..Hα-helixtrans-62.9-32.3173.5-75.7-179.6179.4172.70112I102 T103 N108 D460I102-K106 HydrophobicContact CG2-CD 3.7Å; I102-K106 VanDerWaalsContact CG2-CE 3.43Å; I102-K106 HydrophobicContact CG2-CG 4.21Å; I102-K106 VanDerWaalsContact O-CB 3.3Å; I102-K106 WeakPolarHBondContact O-CB 3.49Å; I102-K106 VanDerWaalsContact O-CG 3.29Å; I102-K106 WeakPolarHBondContact O-CG 3.36Å; I102-K106 PolarHBondContact O-N 2.99Å; T103-K106 PolarHBondContact O-N 3.36Å; K106-N108 VanDerWaalsContact C-N 3.28Å; K106-D460 IonicContact NZ-OD1 2.73Å; K106-D460 PolarHBondContact NZ-OD1 2.83Å; K106-D460 IonicContact NZ-OD2 2.85Å; K106-D460 PolarHBondContact NZ-OD2 3.22Å
107L86.8Confident87.2Confident116 Ų11657.8 Ų57.861%0.60730%0.297SS*.THydrogen-bonded Turntrans-841.6174.8-65.9175.9000113.7T103 A104 L105 A109T103-L107 HydrophobicContact CG2-CD1 3.9Å; T103-L107 WeakPolarHBondContact O-CB 3.49Å; T103-L107 WeakPolarHBondContact O-CG 3.3Å; T103-L107 PolarHBondContact O-N 3.12Å; A104-L107 CarbonylContact O-C 3.34Å; A104-L107 PolarHBondContact O-N 3.19Å; L105-L107 PolarHBondContact O-N 3.3Å; L107-A109 HydrophobicContact CB-CB 4.3Å; L107-A109 PolarHBondContact O-N 3.36Å
108N81.9Confident87.5Confident94 Ų9456.5 Ų56.550%0.50329%0.291SS..THydrogen-bonded Turntrans48.240.7-172.9-161.828000113.1A104 L105 K106 P110A104-N108 PolarHBondContact O-N 2.76Å; L105-N108 PolarHBondContact O-N 3.48Å; K106-N108 VanDerWaalsContact C-N 3.28Å; N108-P110 WeakPolarHBondContact O-CD 3.37Å
109A86.3Confident87.9Confident13 Ų1357 Ų5711%0.10729%0.294CS..  trans-11373-178.600000109.9A104 L107 D111 K112A104-A109 PolarHBondContact O-N 3.09Å; L107-A109 HydrophobicContact CB-CB 4.3Å; L107-A109 PolarHBondContact O-N 3.36Å; A109-D111 VanDerWaalsContact C-OD1 3.23Å; A109-D111 WeakPolarHBondContact CA-OD1 3.49Å; A109-D111 PolarHBondContact O-N 2.83Å; A109-K112 HydrophobicContact CB-CB 4.22Å; A109-K112 HydrophobicContact CB-CD 3.9Å; A109-K112 HydrophobicContact CB-CG 4.07Å; A109-K112 WeakPolarHBondContact O-CB 3.41Å; A109-K112 PolarHBondContact O-N 3.39Å
110P82.6Confident88.2Confident36 Ų3655.2 Ų55.223%0.23428%0.281CS..G310 helixtrans-62-23-177.326.1-35000113.2L46 N108 K112 V113 Y580L46-P110 HydrophobicContact CD1-CB 4.01Å; L46-P110 HydrophobicContact CD2-CB 4.17Å; N108-P110 WeakPolarHBondContact O-CD 3.37Å; P110-K112 PolarHBondContact O-N 3.11Å; P110-V113 WeakPolarHBondContact O-CB 3.34Å; P110-V113 PolarHBondContact O-N 2.82Å; P110-Y580 HydrophobicContact CB-CD1 4.3Å; P110-Y580 HydrophobicContact CB-CD2 4.19Å; P110-Y580 HydrophobicContact CB-CG 4.02Å; P110-Y580 HydrophobicContact CG-CG 4.38Å
111D83.8Confident88.5Confident131 Ų13150.2 Ų50.270%0.70126%0.258SS*.G310 helixtrans-64.9-25172.363.4-54.2000113.2A109A109-D111 VanDerWaalsContact C-OD1 3.23Å; A109-D111 WeakPolarHBondContact CA-OD1 3.49Å; A109-D111 PolarHBondContact O-N 2.83Å
112K86.5Confident88.8Confident139 Ų13952.2 Ų52.260%0.60427%0.265SS*.G310 helixtrans-93.8-3.7178.1-60.6-176.9-175.6172.90113.4A104 A109 P110A104-K112 HydrophobicContact CB-CB 4.04Å; A109-K112 HydrophobicContact CB-CB 4.22Å; A109-K112 HydrophobicContact CB-CD 3.9Å; A109-K112 HydrophobicContact CB-CG 4.07Å; A109-K112 WeakPolarHBondContact O-CB 3.41Å; A109-K112 PolarHBondContact O-N 3.39Å; P110-K112 PolarHBondContact O-N 3.11Å
113V86.2Confident89.2Confident16 Ų1652.1 Ų52.110%0.09726%0.264CS..SBendtrans-64.8124.2175.4174.30000108.1L46 A104 L105 P110 V408L46-V113 HydrophobicContact CD1-CB 3.93Å; L46-V113 HydrophobicContact CD1-CG1 4.09Å; L46-V113 HydrophobicContact CD1-CG2 3.99Å; A104-V113 HydrophobicContact CB-CG2 3.78Å; L105-V113 HydrophobicContact CD2-CG2 3.97Å; L105-V113 HydrophobicContact CG-CG2 4.33Å; P110-V113 WeakPolarHBondContact O-CB 3.34Å; P110-V113 PolarHBondContact O-N 2.82Å; V113-V408 HydrophobicContact CG1-CG2 4.06Å
114P85.1Confident89.4Confident23 Ų2348.3 Ų48.315%0.14924%0.241CC..PPolyproline II helixtrans-65.9146.6-177.729-35.3000110.1L97 Q100 H101 V116L97-P114 HydrophobicContact CD2-CB 4.21Å; L97-P114 HydrophobicContact CD2-CG 4.28Å; Q100-P114 HydrophobicContact CB-CG 3.99Å; H101-P114 WeakPolarHBondContact CE1-CG 3.33Å; H101-P114 WeakPolarHBondContact ND1-CG 3.27Å; P114-V116 PolarHBondContact O-N 3.26Å
115K86.9Confident89.9Confident139 Ų13948.1 Ų48.160%0.60424%0.239SC*.PPolyproline II helixtrans-66.1123.7-178.2-62.6-171.6-179.2-170.60110.6D40D40-K115 VanDerWaalsContact CG-NZ 3.32Å; D40-K115 PolarHBondContact O-NZ 3.18Å; D40-K115 WeakPolarHBondContact OD1-CD 3.41Å; D40-K115 IonicContact OD1-NZ 3.74Å; D40-K115 PolarHBondContact OD1-NZ 3.33Å; D40-K115 IonicContact OD2-NZ 3.53Å; D40-K115 PolarHBondContact OD2-NZ 3.29Å
116V89.8Confident90.2Very high15 Ų1547.9 Ų47.99%0.09124%0.238CC..  trans-122.5147175.6-67.30000110.9H39 G45 H101 P114 T406 V408H39-V116 PolarHBondContact CE1-O 3.09Å; G45-V116 WeakPolarHBondContact CA-O 3.45Å; G45-V116 PolarHBondContact N-O 3.34Å; H101-V116 WeakPolarHBondContact CE1-CG1 3.39Å; H101-V116 WeakPolarHBondContact NE2-CG1 3.22Å; P114-V116 PolarHBondContact O-N 3.26Å; V116-T406 HydrophobicContact CG1-CG2 4.33Å; V116-V408 HydrophobicContact CG2-CG2 4.04Å
117L92.4Very high90.6Very high54 Ų5444 Ų4428%0.28322%0.22SC..  trans-74.4128.2176.3-176.769.9000109.2V35 H39 A121 K405V35-L117 HydrophobicContact CG1-CD1 4.08Å; V35-L117 HydrophobicContact CG1-CD2 4.32Å; H39-L117 HydrophobicContact CB-CD1 3.51Å; H39-L117 VanDerWaalsContact CG-CD1 3.45Å; L117-A121 HydrophobicContact CD1-CB 3.45Å; L117-A121 VanDerWaalsContact CD1-CB 3.45Å; L117-A121 HydrophobicContact CG-CB 3.86Å; L117-K405 VanDerWaalsContact CG-NZ 3.28Å; L117-K405 WeakPolarHBondContact O-CE 3.38Å; L117-K405 PolarHBondContact O-NZ 3.45Å
118S94.7Very high91Very high3 Ų338.5 Ų38.52%0.02119%0.191CC..  trans-63.2156.9178.475.90000112.2H39 G48 S120 A121 K405H39-S118 PolarHBondContact CE1-N 3.4Å; H39-S118 WeakPolarHBondContact NE2-CB 3.37Å; H39-S118 PolarHBondContact NE2-N 2.8Å; H39-S118 PolarHBondContact NE2-OG 2.75Å; G48-S118 WeakPolarHBondContact O-CB 3.47Å; S118-S120 VanDerWaalsContact C-N 3.25Å; S118-S120 PolarHBondContact O-N 3.15Å; S118-A121 PolarHBondContact O-N 3Å; S118-A121 WeakPolarHBondContact OG-CB 3.45Å; S118-A121 PolarHBondContact OG-N 3.48Å; S118-A121 VanDerWaalsContact OG-N 3.16Å; S118-K405 PolarHBondContact O-NZ 2.92Å
119L95.5Very high91.7Very high26 Ų2634.1 Ų34.114%0.13617%0.168CC..SBendtrans-60.4-37.9-179.4-71170.6000112K405 V407 Y418 N589 Q592L119-K405 HydrophobicContact CD2-CD 4.41Å; L119-V407 HydrophobicContact CD1-CG1 4.35Å; L119-V407 HydrophobicContact CD2-CG1 3.73Å; L119-V407 HydrophobicContact CG-CG1 3.79Å; L119-Y418 HydrophobicContact CD2-CE1 4.2Å; L119-Y418 VanDerWaalsContact CD2-OH 3.27Å; L119-Y418 WeakPolarHBondContact CD2-OH 3.42Å; L119-N589 HydrophobicContact CD1-CB 4.24Å; L119-N589 WeakPolarHBondContact CD1-O 3.46Å; L119-Q592 HydrophobicContact CB-CB 4.35Å; L119-Q592 HydrophobicContact CD1-CB 4.11Å
120S95.1Very high92Very high0 Ų038.4 Ų38.40%019%0.189CC..SBendtrans-86.8-13-176.3-61.60000114.4S118 R122 K123 V124 Q592S118-S120 VanDerWaalsContact C-N 3.25Å; S118-S120 PolarHBondContact O-N 3.15Å; S120-R122 VanDerWaalsContact C-N 3.33Å; S120-R122 PolarHBondContact O-N 2.82Å; S120-K123 PolarHBondContact O-N 3.5Å; S120-V124 WeakPolarHBondContact O-CG2 3.37Å; S120-V124 PolarHBondContact O-N 3.19Å; S120-Q592 PolarHBondContact OG-OE1 2.84Å
121A96Very high92.5Very high0 Ų040.6 Ų40.60%020%0.196CC..Hα-helixtrans-49.7-48.6-173.500000113.5F54 L117 S118 K123 V124 F125F54-A121 HydrophobicContact CE1-CB 4.15Å; F54-A121 VanDerWaalsContact CE1-O 3.29Å; F54-A121 WeakPolarHBondContact CE1-O 3.47Å; L117-A121 HydrophobicContact CD1-CB 3.45Å; L117-A121 VanDerWaalsContact CD1-CB 3.45Å; L117-A121 HydrophobicContact CG-CB 3.86Å; S118-A121 PolarHBondContact O-N 3Å; S118-A121 WeakPolarHBondContact OG-CB 3.45Å; S118-A121 PolarHBondContact OG-N 3.48Å; S118-A121 VanDerWaalsContact OG-N 3.16Å; A121-K123 VanDerWaalsContact C-N 3.35Å; A121-K123 PolarHBondContact O-N 3.02Å; A121-V124 PolarHBondContact O-N 3.34Å; A121-F125 WeakPolarHBondContact O-CB 3.25Å; A121-F125 PolarHBondContact O-N 3.27Å
122R95.2Very high93Very high47 Ų4735.8 Ų35.818%0.17717%0.169CC..Hα-helixtrans-62.9-41.7-179.4-175.3165.2-174.2142.821.4112D32 L76 S120 F125 M126 F391D32-R122 IonicContact OD1-CZ 3.37Å; D32-R122 VanDerWaalsContact OD1-CZ 3.24Å; D32-R122 IonicContact OD1-NH1 3.48Å; D32-R122 PolarHBondContact OD1-NH1 3.35Å; D32-R122 IonicContact OD1-NH2 3.48Å; D32-R122 PolarHBondContact OD1-NH2 3.05Å; D32-R122 IonicContact OD2-CZ 3.73Å; D32-R122 IonicContact OD2-NH1 3.41Å; D32-R122 IonicContact OD2-NH2 2.71Å; D32-R122 PolarHBondContact OD2-NH2 3.34Å; L76-R122 VanDerWaalsContact CD2-NH2 3.28Å; S120-R122 VanDerWaalsContact C-N 3.33Å; S120-R122 PolarHBondContact O-N 2.82Å; R122-F125 PolarHBondContact O-N 3.45Å; R122-M126 VanDerWaalsContact O-CG 3.28Å; R122-M126 WeakPolarHBondContact O-CG 3.43Å; R122-M126 PolarHBondContact O-N 3.2Å; R122-F391 HydrophobicContact CG-CE1 4.16Å
123K95Very high93Very high14 Ų1440.4 Ų40.46%0.06118%0.182CC..Hα-helixtrans-65.7-47177.5-75-171.6-179.51760111.4S120 A121 F125 M126 Y127 F391 N596 E599 P623S120-K123 PolarHBondContact O-N 3.5Å; A121-K123 VanDerWaalsContact C-N 3.35Å; A121-K123 PolarHBondContact O-N 3.02Å; K123-F125 VanDerWaalsContact C-N 3.25Å; K123-F125 PolarHBondContact O-N 3.05Å; K123-M126 PolarHBondContact O-N 2.94Å; K123-M126 VanDerWaalsContact O-N 3.07Å; K123-Y127 HydrophobicContact CB-CD2 4.41Å; K123-Y127 HydrophobicContact CB-CE2 4.2Å; K123-Y127 WeakPolarHBondContact O-CD2 3.37Å; K123-Y127 PolarHBondContact O-N 2.77Å; K123-F391 HydrophobicContact CG-CE2 4.19Å; K123-F391 HydrophobicContact CG-CZ 3.76Å; K123-N596 VanDerWaalsContact CD-OD1 3.29Å; K123-N596 WeakPolarHBondContact CD-OD1 3.3Å; K123-N596 WeakPolarHBondContact CE-OD1 3.32Å; K123-N596 PolarHBondContact NZ-O 2.91Å; K123-N596 PolarHBondContact NZ-OD1 3.42Å; K123-E599 WeakPolarHBondContact CE-OE2 3.06Å; K123-E599 IonicContact NZ-OE2 2.62Å; K123-E599 PolarHBondContact NZ-OE2 2.88Å; K123-P623 HydrophobicContact CB-CG 3.96Å; K123-P623 HydrophobicContact CD-CG 4.32Å
124V96.7Very high93.4Very high0 Ų041.5 Ų41.50%019%0.186CC..Hα-helixtrans-55-44.6176.5175.30000111N51 F54 Y55 S120 A121 Y127 A128 P623 W624N51-V124 HydrophobicContact CB-CG2 3.92Å; F54-V124 HydrophobicContact CD1-CB 3.95Å; F54-V124 HydrophobicContact CD1-CG1 3.66Å; F54-V124 HydrophobicContact CE1-CB 4.29Å; F54-V124 HydrophobicContact CE1-CG1 4.27Å; Y55-V124 HydrophobicContact CD2-CG1 4.37Å; S120-V124 WeakPolarHBondContact O-CG2 3.37Å; S120-V124 PolarHBondContact O-N 3.19Å; A121-V124 PolarHBondContact O-N 3.34Å; V124-Y127 PolarHBondContact O-N 2.87Å; V124-A128 PolarHBondContact O-N 3.07Å; V124-A128 VanDerWaalsContact O-N 3.11Å; V124-P623 HydrophobicContact CG2-CB 3.93Å; V124-W624 HydrophobicContact CG1-CB 4.34Å; V124-W624 HydrophobicContact CG2-CB 4.35Å
125F97.4Very high93.9Very high0 Ų043.7 Ų43.70%019%0.193CC..Hα-helixtrans-61.6-47.2175.5-178.1-82.1000112.3T31 L34 V35 L38 F54 V58 F62 F74 A121 R122 K123 Y127 A128 L129T31-F125 HydrophobicContact CG2-CD1 3.95Å; T31-F125 HydrophobicContact CG2-CE1 3.28Å; T31-F125 HydrophobicContact CG2-CZ 3.86Å; L34-F125 HydrophobicContact CD2-CE2 3.77Å; L34-F125 HydrophobicContact CD2-CZ 3.75Å; L34-F125 HydrophobicContact CG-CE2 4Å; L34-F125 HydrophobicContact CG-CZ 4.34Å; V35-F125 HydrophobicContact CG2-CB 3.75Å; V35-F125 HydrophobicContact CG2-CD1 3.65Å; V35-F125 HydrophobicContact CG2-CD2 3.55Å; V35-F125 HydrophobicContact CG2-CE1 4.13Å; V35-F125 HydrophobicContact CG2-CE2 4.01Å; V35-F125 HydrophobicContact CG2-CG 3.35Å; V35-F125 HydrophobicContact CG2-CZ 4.28Å; L38-F125 HydrophobicContact CD1-CE2 4.2Å; F54-F125 HydrophobicContact CE1-CB 4.23Å; F54-F125 HydrophobicContact CZ-CB 4.49Å; V58-F125 HydrophobicContact CB-CD2 4.46Å; V58-F125 HydrophobicContact CG1-CD2 3.7Å; V58-F125 HydrophobicContact CG1-CE2 3.99Å; V58-F125 HydrophobicContact CG1-CG 4.34Å; V58-F125 HydrophobicContact CG2-CD2 3.8Å; F62-F125 HydrophobicContact CE1-CE2 4.24Å; F62-F125 HydrophobicContact CE1-CZ 4.01Å; F62-F125 HydrophobicContact CZ-CD2 4.45Å; F62-F125 HydrophobicContact CZ-CE1 4.05Å; F62-F125 AromaticContact CZ-CE2 3.77Å; F62-F125 HydrophobicContact CZ-CE2 3.77Å; F62-F125 AromaticContact CZ-CZ 3.53Å; F62-F125 HydrophobicContact CZ-CZ 3.53Å; F74-F125 HydrophobicContact CD1-CZ 4.38Å; F74-F125 HydrophobicContact CE1-CZ 4.15Å; A121-F125 WeakPolarHBondContact O-CB 3.25Å; A121-F125 PolarHBondContact O-N 3.27Å; R122-F125 PolarHBondContact O-N 3.45Å; K123-F125 VanDerWaalsContact C-N 3.25Å; K123-F125 PolarHBondContact O-N 3.05Å; F125-Y127 VanDerWaalsContact C-N 3.33Å; F125-Y127 PolarHBondContact O-N 3.13Å; F125-A128 PolarHBondContact O-N 2.8Å; F125-L129 HydrophobicContact CE1-CB 4.43Å; F125-L129 HydrophobicContact CE1-CD2 4.14Å; F125-L129 WeakPolarHBondContact O-CB 3.31Å; F125-L129 PolarHBondContact O-N 3.17Å
126M95.4Very high94.3Very high14 Ų1437.7 Ų37.77%0.06917%0.168CC..Hα-helixtrans-63-38.4-179.9-70.5-52.7-57.700112.3L76 R122 K123 L129 N130L76-M126 HydrophobicContact CD1-CE 3.9Å; L76-M126 HydrophobicContact CD1-SD 4.05Å; L76-M126 HydrophobicContact CD2-SD 3.66Å; L76-M126 HydrophobicContact CG-SD 4.43Å; R122-M126 VanDerWaalsContact O-CG 3.28Å; R122-M126 WeakPolarHBondContact O-CG 3.43Å; R122-M126 PolarHBondContact O-N 3.2Å; K123-M126 PolarHBondContact O-N 2.94Å; K123-M126 VanDerWaalsContact O-N 3.07Å; M126-L129 HydrophobicContact CE-CD2 4.12Å; M126-L129 PolarHBondContact O-N 3.22Å; M126-L129 HydrophobicContact SD-CD2 4.27Å; M126-N130 PolarHBondContact O-N 3.1Å; M126-N130 PolarHBondContact O-ND2 3.21Å
127Y94Very high94.5Very high45 Ų4537.3 Ų37.318%0.17617%0.166CC..Hα-helixtrans-63.9-46.9175-76.5-63.5000112.2K123 V124 F125 L129 N130 E599 Q622 P623K123-Y127 HydrophobicContact CB-CD2 4.41Å; K123-Y127 HydrophobicContact CB-CE2 4.2Å; K123-Y127 WeakPolarHBondContact O-CD2 3.37Å; K123-Y127 PolarHBondContact O-N 2.77Å; V124-Y127 PolarHBondContact O-N 2.87Å; F125-Y127 VanDerWaalsContact C-N 3.33Å; F125-Y127 PolarHBondContact O-N 3.13Å; Y127-L129 PolarHBondContact O-N 3.29Å; Y127-N130 PolarHBondContact O-N 3.05Å; Y127-E599 PolarHBondContact OH-OE1 3.42Å; Y127-Q622 HydrophobicContact CD1-CB 4.34Å; Y127-Q622 HydrophobicContact CD1-CG 3.55Å; Y127-Q622 HydrophobicContact CD2-CB 3.81Å; Y127-Q622 HydrophobicContact CD2-CG 3.96Å; Y127-Q622 HydrophobicContact CE1-CG 3.76Å; Y127-Q622 HydrophobicContact CE2-CB 4.04Å; Y127-Q622 HydrophobicContact CE2-CG 4.16Å; Y127-Q622 HydrophobicContact CG-CB 3.98Å; Y127-Q622 HydrophobicContact CG-CG 3.66Å; Y127-P623 HydrophobicContact CE2-CG 4.4Å
128A95Very high94.6Very high0 Ų034.8 Ų34.80%015%0.152CC..Hα-helixtrans-58.6-40.3174.200000111.2Y55 V58 F62 V124 F125 N130 E131 F132Y55-A128 HydrophobicContact CD2-CB 3.83Å; Y55-A128 HydrophobicContact CE2-CB 3.81Å; V58-A128 HydrophobicContact CB-CB 4.2Å; V58-A128 HydrophobicContact CG1-CB 3.58Å; F62-A128 HydrophobicContact CD2-CB 4.45Å; F62-A128 HydrophobicContact CE2-CB 4.06Å; V124-A128 PolarHBondContact O-N 3.07Å; V124-A128 VanDerWaalsContact O-N 3.11Å; F125-A128 PolarHBondContact O-N 2.8Å; A128-N130 VanDerWaalsContact C-N 3.33Å; A128-N130 PolarHBondContact O-N 3.28Å; A128-E131 WeakPolarHBondContact O-CB 3.41Å; A128-E131 PolarHBondContact O-N 3.4Å; A128-F132 VanDerWaalsContact O-CD2 3.26Å; A128-F132 WeakPolarHBondContact O-CD2 3.49Å
129L95.9Very high94.5Very high2 Ų234.6 Ų34.61%0.0115%0.151CC..Hα-helixtrans-63.6-38.8-180179.961.2000112.3F62 F74 F125 M126 Y127 E131 F132 F134 C136F62-L129 HydrophobicContact CE1-CD1 4.38Å; F62-L129 VanDerWaalsContact CE2-CA 3.48Å; F62-L129 HydrophobicContact CE2-CB 3.91Å; F62-L129 HydrophobicContact CE2-CD1 4.13Å; F62-L129 HydrophobicContact CZ-CB 4.09Å; F62-L129 HydrophobicContact CZ-CD1 3.87Å; F74-L129 HydrophobicContact CB-CD2 4.21Å; F74-L129 HydrophobicContact CD2-CD1 3.41Å; F74-L129 VanDerWaalsContact CD2-CD1 3.41Å; F74-L129 HydrophobicContact CD2-CD2 4.2Å; F74-L129 HydrophobicContact CD2-CG 4.44Å; F74-L129 HydrophobicContact CE2-CD1 3.34Å; F74-L129 HydrophobicContact CG-CD1 4.06Å; F74-L129 HydrophobicContact CG-CD2 4.13Å; F74-L129 HydrophobicContact CZ-CD1 3.99Å; F125-L129 HydrophobicContact CE1-CB 4.43Å; F125-L129 HydrophobicContact CE1-CD2 4.14Å; F125-L129 WeakPolarHBondContact O-CB 3.31Å; F125-L129 PolarHBondContact O-N 3.17Å; M126-L129 HydrophobicContact CE-CD2 4.12Å; M126-L129 PolarHBondContact O-N 3.22Å; M126-L129 HydrophobicContact SD-CD2 4.27Å; Y127-L129 PolarHBondContact O-N 3.29Å; L129-E131 PolarHBondContact O-N 2.98Å; L129-F132 PolarHBondContact O-N 3Å; L129-F134 HydrophobicContact CD1-CB 3.84Å; L129-F134 HydrophobicContact CD1-CD2 3.93Å; L129-F134 HydrophobicContact CD1-CG 4.41Å; L129-C136 HydrophobicContact CD2-CB 3.76Å
130N93Very high93.8Very high103 Ų10334.7 Ų34.755%0.55115%0.151SC*.Hα-helixtrans-64.7-20.7-179.6-71.5-20.9000113.3M126 Y127 A128M126-N130 PolarHBondContact O-N 3.1Å; M126-N130 PolarHBondContact O-ND2 3.21Å; Y127-N130 PolarHBondContact O-N 3.05Å; A128-N130 VanDerWaalsContact C-N 3.33Å; A128-N130 PolarHBondContact O-N 3.28Å
131E93.7Very high93.1Very high82 Ų8234.8 Ų34.838%0.38315%0.151SC..Hα-helixtrans-72-29.3175.8-66.6171.3-155.900113.1Y55 R59 A128 L129Y55-E131 WeakPolarHBondContact CE2-OE1 3.29Å; Y55-E131 VanDerWaalsContact CZ-OE1 3.32Å; Y55-E131 PolarHBondContact OH-OE1 3.44Å; Y55-E131 PolarHBondContact OH-OE2 3.18Å; R59-E131 IonicContact NE-OE2 3.03Å; A128-E131 WeakPolarHBondContact O-CB 3.41Å; A128-E131 PolarHBondContact O-N 3.4Å; L129-E131 PolarHBondContact O-N 2.98Å
132F93Very high92.5Very high29 Ų2936 Ų3613%0.12716%0.156CC..THydrogen-bonded Turntrans-92.60.2-172.8-70.5-98.5000113.8R59 F62 L63 A128 L129 F134R59-F132 HydrophobicContact CG-CE2 3.97Å; R59-F132 HydrophobicContact CG-CZ 3.81Å; F62-F132 HydrophobicContact CB-CD1 3.78Å; F62-F132 HydrophobicContact CB-CD2 3.76Å; F62-F132 HydrophobicContact CB-CE1 3.6Å; F62-F132 HydrophobicContact CB-CE2 3.61Å; F62-F132 HydrophobicContact CB-CG 3.86Å; F62-F132 HydrophobicContact CB-CZ 3.52Å; F62-F132 AromaticContact CD2-CD2 3.6Å; F62-F132 HydrophobicContact CD2-CD2 3.6Å; F62-F132 AromaticContact CD2-CE2 3.73Å; F62-F132 HydrophobicContact CD2-CE2 3.73Å; F62-F132 HydrophobicContact CD2-CG 4.29Å; F62-F132 HydrophobicContact CD2-CZ 4.49Å; F62-F132 HydrophobicContact CG-CD2 4.08Å; F62-F132 HydrophobicContact CG-CE2 4.18Å; F62-F132 HydrophobicContact CG-CG 4.4Å; L63-F132 HydrophobicContact CD2-CE1 3.85Å; L63-F132 HydrophobicContact CD2-CZ 4.14Å; L63-F132 HydrophobicContact CG-CE1 3.94Å; L63-F132 HydrophobicContact CG-CZ 3.9Å; A128-F132 VanDerWaalsContact O-CD2 3.26Å; A128-F132 WeakPolarHBondContact O-CD2 3.49Å; L129-F132 PolarHBondContact O-N 3Å; F132-F134 HydrophobicContact CB-CD1 4.09Å; F132-F134 HydrophobicContact CB-CD2 3.41Å; F132-F134 VanDerWaalsContact CB-CD2 3.41Å; F132-F134 HydrophobicContact CB-CE1 4.05Å; F132-F134 HydrophobicContact CB-CE2 3.39Å; F132-F134 HydrophobicContact CB-CG 3.79Å; F132-F134 HydrophobicContact CB-CZ 3.72Å; F132-F134 AromaticContact CD1-CE2 3.88Å; F132-F134 HydrophobicContact CD1-CE2 3.88Å; F132-F134 AromaticContact CD1-CZ 3.85Å; F132-F134 HydrophobicContact CD1-CZ 3.85Å; F132-F134 HydrophobicContact CG-CD2 4.18Å; F132-F134 AromaticContact CG-CE2 3.74Å; F132-F134 HydrophobicContact CG-CE2 3.74Å; F132-F134 HydrophobicContact CG-CZ 4.09Å; F132-F134 WeakPolarHBondContact O-CD1 3.41Å; F132-F134 PolarHBondContact O-N 2.59Å
133R87.8Confident92.2Very high236 Ų23634 Ų3489%0.89115%0.149SC*.THydrogen-bonded Turntrans50.723.6-175.3-58.7-175.3179.1178.4-0114
134F94.7Very high91.9Very high40 Ų4033.6 Ų33.618%0.17515%0.149CC..  trans-68.1152.4177.9-66.3-32.7000111.3F62 P72 F74 L129 F132 C136F62-F134 HydrophobicContact CB-CE2 3.86Å; F62-F134 HydrophobicContact CD1-CD2 4.47Å; F62-F134 HydrophobicContact CD1-CE2 4.14Å; F62-F134 HydrophobicContact CG-CD2 4.48Å; F62-F134 HydrophobicContact CG-CE2 4.02Å; P72-F134 HydrophobicContact CG-CB 4.02Å; P72-F134 HydrophobicContact CG-CD1 3.66Å; P72-F134 HydrophobicContact CG-CD2 3.59Å; P72-F134 HydrophobicContact CG-CE1 3.93Å; P72-F134 HydrophobicContact CG-CE2 3.83Å; P72-F134 HydrophobicContact CG-CG 3.5Å; P72-F134 VanDerWaalsContact CG-CG 3.5Å; P72-F134 HydrophobicContact CG-CZ 4.01Å; F74-F134 HydrophobicContact CD2-CB 3.99Å; F74-F134 HydrophobicContact CE2-CB 3.82Å; F74-F134 AromaticContact CE2-CD2 3.66Å; F74-F134 HydrophobicContact CE2-CD2 3.66Å; F74-F134 HydrophobicContact CE2-CG 4.07Å; F74-F134 HydrophobicContact CZ-CD2 4.37Å; L129-F134 HydrophobicContact CD1-CB 3.84Å; L129-F134 HydrophobicContact CD1-CD2 3.93Å; L129-F134 HydrophobicContact CD1-CG 4.41Å; F132-F134 HydrophobicContact CB-CD1 4.09Å; F132-F134 HydrophobicContact CB-CD2 3.41Å; F132-F134 VanDerWaalsContact CB-CD2 3.41Å; F132-F134 HydrophobicContact CB-CE1 4.05Å; F132-F134 HydrophobicContact CB-CE2 3.39Å; F132-F134 HydrophobicContact CB-CG 3.79Å; F132-F134 HydrophobicContact CB-CZ 3.72Å; F132-F134 AromaticContact CD1-CE2 3.88Å; F132-F134 HydrophobicContact CD1-CE2 3.88Å; F132-F134 AromaticContact CD1-CZ 3.85Å; F132-F134 HydrophobicContact CD1-CZ 3.85Å; F132-F134 HydrophobicContact CG-CD2 4.18Å; F132-F134 AromaticContact CG-CE2 3.74Å; F132-F134 HydrophobicContact CG-CE2 3.74Å; F132-F134 HydrophobicContact CG-CZ 4.09Å; F132-F134 WeakPolarHBondContact O-CD1 3.41Å; F132-F134 PolarHBondContact O-N 2.59Å; F134-C136 PolarHBondContact O-N 3.17Å
135K94.5Very high91.5Very high69 Ų6933.8 Ų33.830%0.315%0.15SC..EExtended strand (participates in β ladder)trans-70.6127179.1-72.2171.9177.1156.10109.3E71 Y73 F74 L331E71-K135 IonicContact OE1-NZ 3.67Å; E71-K135 PolarHBondContact OE1-NZ 3.4Å; Y73-K135 HydrophobicContact CD1-CB 4.16Å; Y73-K135 HydrophobicContact CD1-CD 3.71Å; Y73-K135 HydrophobicContact CE1-CD 3.26Å; Y73-K135 HydrophobicContact CE2-CD 4.4Å; Y73-K135 HydrophobicContact CG-CD 4.48Å; Y73-K135 PolarHBondContact OH-NZ 2.83Å; F74-K135 WeakPolarHBondContact CB-O 3.27Å; F74-K135 PolarHBondContact N-O 3.35Å; K135-L331 HydrophobicContact CB-CD2 3.98Å; K135-L331 WeakPolarHBondContact CD-O 2.95Å; K135-L331 WeakPolarHBondContact CE-O 3.45Å
136C94.9Very high91.1Very high12 Ų1233.8 Ų33.88%0.08115%0.15CC..EExtended strand (participates in β ladder)trans-144.1131.7-178.7-177.20000110.9F74 L76 L129 F134F74-C136 HydrophobicContact CB-CB 4.03Å; F74-C136 VanDerWaalsContact O-CA 3.32Å; F74-C136 WeakPolarHBondContact O-CA 3.24Å; L76-C136 WeakPolarHBondContact CD1-SG 3.48Å; L129-C136 HydrophobicContact CD2-CB 3.76Å; F134-C136 PolarHBondContact O-N 3.17Å
137I95.3Very high91Very high7 Ų733.1 Ų33.14%0.03615%0.147CC..EExtended strand (participates in β ladder)trans-147.7141.3178.5-168.7163.8000112.1F74 I75 L76 V327 L330 L331 R386F74-I137 PolarHBondContact O-N 3.05Å; I75-I137 WeakPolarHBondContact CA-O 3.42Å; I75-I137 HydrophobicContact CD1-CG2 3.77Å; L76-I137 PolarHBondContact N-O 3.47Å; I137-V327 HydrophobicContact CD1-CG1 4.28Å; I137-V327 HydrophobicContact CD1-CG2 4.31Å; I137-V327 HydrophobicContact CG2-CG1 3.75Å; I137-L330 HydrophobicContact CD1-CB 3.65Å; I137-L330 HydrophobicContact CD1-CD1 3.62Å; I137-L330 HydrophobicContact CD1-CG 4.3Å; I137-L331 HydrophobicContact CB-CD2 4.08Å; I137-L331 HydrophobicContact CB-CG 4.5Å; I137-L331 HydrophobicContact CG2-CD1 3.8Å; I137-L331 HydrophobicContact CG2-CD2 3.75Å; I137-L331 HydrophobicContact CG2-CG 3.91Å; I137-R386 CarbonylContact C-O 3.58Å; I137-R386 WeakPolarHBondContact CA-O 3.4Å; I137-R386 HydrophobicContact CG1-CB 4.47Å
138R94.4Very high90.8Very high1 Ų131.4 Ų31.40%0.00414%0.141CC..EExtended strand (participates in β ladder)trans-90.2131.2172.5-168.5-171.6-63.6-88.99.3111.1L76 R77 F385 R386 G388 V390L76-R138 HydrophobicContact CB-CB 3.86Å; L76-R138 HydrophobicContact CB-CG 3.96Å; L76-R138 HydrophobicContact CD1-CB 4.29Å; L76-R138 CarbonylContact O-C 3.55Å; L76-R138 VanDerWaalsContact O-CA 3.29Å; L76-R138 WeakPolarHBondContact O-CA 2.87Å; R77-R138 WeakPolarHBondContact O-CG 3.47Å; R77-R138 PolarHBondContact O-NH1 3.2Å; R138-F385 VanDerWaalsContact CD-CZ 3.43Å; R138-F385 WeakPolarHBondContact CD-O 3.39Å; R138-F385 HydrophobicContact CG-CE1 4.49Å; R138-F385 HydrophobicContact CG-CZ 4.37Å; R138-F385 PolarHBondContact NE-O 3.46Å; R138-R386 WeakPolarHBondContact CB-O 3.46Å; R138-R386 PolarHBondContact N-O 2.89Å; R138-R386 WeakPolarHBondContact O-CD 3.47Å; R138-R386 PolarHBondContact O-NH1 3.3Å; R138-G388 PolarHBondContact NH2-O 3.16Å; R138-V390 PolarHBondContact NH2-O 3.35Å
139V91.2Very high90.5Very high0 Ų031.5 Ų31.50%014%0.142CC..EExtended strand (participates in β ladder)trans-103.1149.6-177.2-58.10000112.2I75 L76 G78 C79 S141 P143 V146 E323 V327I75-V139 HydrophobicContact CG2-CB 4.4Å; I75-V139 HydrophobicContact CG2-CG1 3.53Å; I75-V139 HydrophobicContact CG2-CG2 3.92Å; L76-V139 WeakPolarHBondContact O-CG2 3.48Å; L76-V139 PolarHBondContact O-N 2.92Å; G78-V139 CarbonylContact C-O 3.53Å; G78-V139 WeakPolarHBondContact CA-O 3.45Å; G78-V139 PolarHBondContact N-O 3.46Å; C79-V139 PolarHBondContact N-O 2.81Å; V139-S141 WeakPolarHBondContact CG2-O 3.32Å; V139-P143 HydrophobicContact CG2-CB 4.4Å; V139-V146 HydrophobicContact CB-CG1 4.47Å; V139-V146 HydrophobicContact CB-CG2 4.35Å; V139-V146 HydrophobicContact CG1-CB 4.32Å; V139-V146 HydrophobicContact CG1-CG1 3.75Å; V139-V146 HydrophobicContact CG1-CG2 4.49Å; V139-V146 HydrophobicContact CG2-CG2 4.39Å; V139-E323 VanDerWaalsContact CA-OE1 3.28Å; V139-E323 WeakPolarHBondContact CA-OE1 3.49Å; V139-V327 HydrophobicContact CG1-CG2 3.85Å
140K82.2Confident90.2Very high28 Ų2831.4 Ų31.412%0.12214%0.142CC..SBendtrans-84.4-15.3178.2-64.3171.8178.5-178.30113C79 E323 H370 D372 T374C79-K140 WeakPolarHBondContact CA-O 3.48Å; C79-K140 VanDerWaalsContact CB-O 3.26Å; C79-K140 WeakPolarHBondContact CB-O 3.3Å; K140-E323 PolarHBondContact N-OE1 2.89Å; K140-H370 WeakPolarHBondContact CB-NE2 3.39Å; K140-D372 WeakPolarHBondContact CD-OD1 3.42Å; K140-D372 VanDerWaalsContact CE-OD1 3.31Å; K140-D372 WeakPolarHBondContact CE-OD1 3.38Å; K140-D372 VanDerWaalsContact NZ-CG 3.25Å; K140-D372 IonicContact NZ-OD1 3.68Å; K140-D372 PolarHBondContact NZ-OD1 2.59Å; K140-D372 VanDerWaalsContact NZ-OD1 3.17Å; K140-D372 IonicContact NZ-OD2 2.83Å; K140-D372 PolarHBondContact NZ-OD2 3.03Å; K140-T374 WeakPolarHBondContact CE-OG1 3.21Å; K140-T374 PolarHBondContact NZ-OG1 3.19Å
141S79Confident90.2Very high1 Ų126.5 Ų26.51%0.00712%0.115CC..SBendtrans-107.2-173.1-178.9-164.50000112.7V139V139-S141 WeakPolarHBondContact CG2-O 3.32Å
142F83.8Confident90Very high25 Ų2523.3 Ų23.311%0.1110%0.101CC..  trans-62.5124.2174.6-67.6-70.2000110.6A144 T145 V146 R316 W369F142-A144 VanDerWaalsContact C-N 3.35Å; F142-A144 PolarHBondContact O-N 3.2Å; F142-T145 PolarHBondContact O-N 3.44Å; F142-V146 PolarHBondContact O-N 3.01Å; F142-R316 HydrophobicContact CD2-CB 4.46Å; F142-R316 HydrophobicContact CD2-CG 4.08Å; F142-R316 HydrophobicContact CE1-CG 4.28Å; F142-R316 HydrophobicContact CE2-CG 3.78Å; F142-R316 HydrophobicContact CG-CG 4.47Å; F142-R316 HydrophobicContact CZ-CG 3.88Å; F142-W369 AromaticContact CD2-CH2 3.89Å; F142-W369 HydrophobicContact CD2-CH2 3.89Å; F142-W369 AromaticContact CD2-CZ2 3.71Å; F142-W369 HydrophobicContact CD2-CZ2 3.71Å; F142-W369 AromaticContact CE2-CD2 3.79Å; F142-W369 HydrophobicContact CE2-CD2 3.79Å; F142-W369 AromaticContact CE2-CE2 3.62Å; F142-W369 AromaticContact CE2-CE3 3.9Å; F142-W369 HydrophobicContact CE2-CE3 3.9Å; F142-W369 HydrophobicContact CE2-CG 4.41Å; F142-W369 AromaticContact CE2-CH2 3.34Å; F142-W369 HydrophobicContact CE2-CH2 3.34Å; F142-W369 AromaticContact CE2-CZ2 3.48Å; F142-W369 HydrophobicContact CE2-CZ2 3.48Å; F142-W369 VanDerWaalsContact CE2-CZ2 3.48Å; F142-W369 AromaticContact CE2-CZ3 3.63Å; F142-W369 HydrophobicContact CE2-CZ3 3.63Å; F142-W369 HydrophobicContact CZ-CE3 4.46Å; F142-W369 HydrophobicContact CZ-CH2 4.44Å; F142-W369 HydrophobicContact CZ-CZ3 4.37Å
143P88.8Confident89.7Confident5 Ų522.6 Ų22.63%0.03210%0.098CC..Hα-helixtrans-62-41.3-174.923.8-33.8000111.8I75 R77 V139 T145 V146 C147I75-P143 HydrophobicContact CG2-CB 4.48Å; R77-P143 HydrophobicContact CB-CG 4.24Å; R77-P143 HydrophobicContact CG-CG 4.33Å; V139-P143 HydrophobicContact CG2-CB 4.4Å; P143-T145 VanDerWaalsContact C-N 3.29Å; P143-T145 PolarHBondContact O-N 3.34Å; P143-V146 PolarHBondContact O-N 3.17Å; P143-C147 VanDerWaalsContact O-CB 3.3Å; P143-C147 WeakPolarHBondContact O-CB 3.18Å; P143-C147 PolarHBondContact O-N 3.14Å; P143-C147 PolarHBondContact O-SG 2.89Å
144A90Very high89.8Confident6 Ų612 Ų125%0.056%0.059CC..Hα-helixtrans-56.1-42.2-178.100000113.5F142 T148 D164 Y165 L168F142-A144 VanDerWaalsContact C-N 3.35Å; F142-A144 PolarHBondContact O-N 3.2Å; A144-T148 WeakPolarHBondContact O-CB 3.43Å; A144-T148 PolarHBondContact O-N 2.92Å; A144-T148 PolarHBondContact O-OG1 3.2Å; A144-D164 HydrophobicContact CB-CB 4.3Å; A144-Y165 WeakPolarHBondContact CA-OH 3.35Å; A144-Y165 HydrophobicContact CB-CE1 4.05Å; A144-Y165 HydrophobicContact CB-CE2 4.16Å; A144-Y165 WeakPolarHBondContact O-CE1 3.39Å; A144-L168 HydrophobicContact CB-CD1 3.86Å
145T87.3Confident89.5Confident5 Ų515.3 Ų15.33%0.0318%0.075CC..Hα-helixtrans-71.7-43.7-179.3-27.90000111.7F142 P143 T148 A149 L168 R316 V318F142-T145 PolarHBondContact O-N 3.44Å; P143-T145 VanDerWaalsContact C-N 3.29Å; P143-T145 PolarHBondContact O-N 3.34Å; T145-T148 PolarHBondContact O-N 2.81Å; T145-A149 WeakPolarHBondContact O-CB 2.89Å; T145-A149 PolarHBondContact O-N 3.04Å; T145-L168 HydrophobicContact CG2-CD2 4.16Å; T145-R316 PolarHBondContact OG1-O 2.72Å; T145-V318 WeakPolarHBondContact CG2-O 3.37Å
146V89.4Confident89.5Confident0 Ų012.2 Ų12.20%06%0.062CC..Hα-helixtrans-66-44.3176.5179.80000110.6V139 F142 P143 T148 A149 I150 P320 E323V139-V146 HydrophobicContact CB-CG1 4.47Å; V139-V146 HydrophobicContact CB-CG2 4.35Å; V139-V146 HydrophobicContact CG1-CB 4.32Å; V139-V146 HydrophobicContact CG1-CG1 3.75Å; V139-V146 HydrophobicContact CG1-CG2 4.49Å; V139-V146 HydrophobicContact CG2-CG2 4.39Å; F142-V146 PolarHBondContact O-N 3.01Å; P143-V146 PolarHBondContact O-N 3.17Å; V146-T148 VanDerWaalsContact C-N 3.29Å; V146-T148 PolarHBondContact O-N 3.02Å; V146-A149 PolarHBondContact O-N 3.37Å; V146-I150 HydrophobicContact CG1-CD1 3.59Å; V146-I150 HydrophobicContact CG1-CG1 4.21Å; V146-I150 WeakPolarHBondContact O-CB 3.19Å; V146-I150 VanDerWaalsContact O-CG1 3.27Å; V146-I150 WeakPolarHBondContact O-CG1 3.36Å; V146-I150 PolarHBondContact O-N 3.37Å; V146-P320 HydrophobicContact CG2-CG 3.53Å; V146-E323 HydrophobicContact CG2-CG 4.48Å
147C92.9Very high89.6Confident0 Ų012 Ų120%06%0.061CC..Hα-helixtrans-55.3-46.2174.7-70.80000111.5V28 I75 P143 A151 V158 Y165V28-C147 HydrophobicContact CG1-CB 3.79Å; I75-C147 WeakPolarHBondContact CB-SG 3.41Å; P143-C147 VanDerWaalsContact O-CB 3.3Å; P143-C147 WeakPolarHBondContact O-CB 3.18Å; P143-C147 PolarHBondContact O-N 3.14Å; P143-C147 PolarHBondContact O-SG 2.89Å; C147-A151 VanDerWaalsContact O-CB 3.23Å; C147-A151 WeakPolarHBondContact O-CB 3.24Å; C147-A151 PolarHBondContact O-N 2.88Å; C147-V158 HydrophobicContact CB-CG2 3.92Å; C147-Y165 HydrophobicContact CB-CE1 4.17Å; C147-Y165 WeakPolarHBondContact CB-OH 2.75Å
148T91.1Very high89.6Confident8 Ų811.7 Ų11.75%0.0496%0.059CC..Hα-helixtrans-63.1-46.5178.8-61.20000111.3A144 T145 V146 A151 I152 L168 M169 P187A144-T148 WeakPolarHBondContact O-CB 3.43Å; A144-T148 PolarHBondContact O-N 2.92Å; A144-T148 PolarHBondContact O-OG1 3.2Å; T145-T148 PolarHBondContact O-N 2.81Å; V146-T148 VanDerWaalsContact C-N 3.29Å; V146-T148 PolarHBondContact O-N 3.02Å; T148-A151 PolarHBondContact O-N 2.9Å; T148-I152 HydrophobicContact CG2-CD1 4.03Å; T148-I152 WeakPolarHBondContact O-CG1 3.38Å; T148-I152 PolarHBondContact O-N 2.98Å; T148-L168 HydrophobicContact CG2-CB 4.17Å; T148-M169 HydrophobicContact CG2-CE 3.38Å; T148-M169 WeakPolarHBondContact OG1-CE 3.3Å; T148-P187 HydrophobicContact CG2-CG 4.43Å
149A87.6Confident89.8Confident3 Ų311.7 Ų11.73%0.0256%0.059CC..Hα-helixtrans-62.2-45.1-179.900000112T145 V146 A151 I152 I153 C319 T324T145-A149 WeakPolarHBondContact O-CB 2.89Å; T145-A149 PolarHBondContact O-N 3.04Å; V146-A149 PolarHBondContact O-N 3.37Å; A149-A151 VanDerWaalsContact C-N 3.34Å; A149-A151 PolarHBondContact O-N 2.76Å; A149-I152 PolarHBondContact O-N 2.91Å; A149-I153 WeakPolarHBondContact O-CG1 3.24Å; A149-I153 PolarHBondContact O-N 3.34Å; A149-I153 VanDerWaalsContact O-N 3.08Å; A149-C319 VanDerWaalsContact CB-SG 3.56Å; A149-T324 HydrophobicContact CB-CG2 3.72Å
150I90.5Very high90Very high0 Ų011.7 Ų11.70%06%0.059CC..Hα-helixtrans-62.4-42.3175.6-65.8170.1000110.7V28 I75 V146 I152 I153 L154 T324 V327 M328 L331V28-I150 HydrophobicContact CG1-CG2 4.48Å; V28-I150 HydrophobicContact CG2-CB 4.2Å; V28-I150 HydrophobicContact CG2-CG2 3.63Å; I75-I150 HydrophobicContact CD1-CD1 3.61Å; I75-I150 HydrophobicContact CG1-CD1 4.3Å; V146-I150 HydrophobicContact CG1-CD1 3.59Å; V146-I150 HydrophobicContact CG1-CG1 4.21Å; V146-I150 WeakPolarHBondContact O-CB 3.19Å; V146-I150 VanDerWaalsContact O-CG1 3.27Å; V146-I150 WeakPolarHBondContact O-CG1 3.36Å; V146-I150 PolarHBondContact O-N 3.37Å; I150-I152 VanDerWaalsContact C-N 3.28Å; I150-I152 PolarHBondContact O-N 3Å; I150-I153 PolarHBondContact O-N 3.03Å; I150-L154 HydrophobicContact CG2-CD1 3.64Å; I150-L154 HydrophobicContact CG2-CG 4.15Å; I150-L154 WeakPolarHBondContact O-CB 3.3Å; I150-L154 WeakPolarHBondContact O-CG 3.42Å; I150-L154 PolarHBondContact O-N 3.48Å; I150-T324 HydrophobicContact CG1-CG2 4.46Å; I150-V327 HydrophobicContact CD1-CG1 3.49Å; I150-V327 VanDerWaalsContact CD1-CG1 3.49Å; I150-M328 HydrophobicContact CB-SD 4.23Å; I150-M328 HydrophobicContact CG1-CG 4.37Å; I150-M328 HydrophobicContact CG1-SD 3.91Å; I150-M328 HydrophobicContact CG2-SD 3.76Å; I150-L331 HydrophobicContact CD1-CD1 4.15Å
151A92.2Very high90.5Very high0 Ų012.5 Ų12.50%06%0.064CC..Hα-helixtrans-63.7-34.3178.900000112.2V28 C147 T148 A149 Q155 C156 V158 P187V28-A151 HydrophobicContact CB-CB 4.2Å; V28-A151 HydrophobicContact CG2-CB 3.85Å; C147-A151 VanDerWaalsContact O-CB 3.23Å; C147-A151 WeakPolarHBondContact O-CB 3.24Å; C147-A151 PolarHBondContact O-N 2.88Å; T148-A151 PolarHBondContact O-N 2.9Å; A149-A151 VanDerWaalsContact C-N 3.34Å; A149-A151 PolarHBondContact O-N 2.76Å; A151-Q155 WeakPolarHBondContact O-CA 3.46Å; A151-Q155 PolarHBondContact O-N 2.89Å; A151-C156 PolarHBondContact O-N 3.39Å; A151-V158 HydrophobicContact CB-CB 4.06Å; A151-P187 HydrophobicContact CB-CB 3.75Å; A151-P187 HydrophobicContact CB-CG 4.08Å
152I88.5Confident91.1Very high15 Ų1512.8 Ų12.88%0.0777%0.066CC..Hα-helixtrans-66.8-47.6172.6-62.5159000110.7T148 A149 I150 L154 Q155 L176 I180 Y184 P187T148-I152 HydrophobicContact CG2-CD1 4.03Å; T148-I152 WeakPolarHBondContact O-CG1 3.38Å; T148-I152 PolarHBondContact O-N 2.98Å; A149-I152 PolarHBondContact O-N 2.91Å; I150-I152 VanDerWaalsContact C-N 3.28Å; I150-I152 PolarHBondContact O-N 3Å; I152-L154 VanDerWaalsContact C-N 3.34Å; I152-L154 PolarHBondContact O-N 3.39Å; I152-Q155 PolarHBondContact O-N 3.39Å; I152-Q155 VanDerWaalsContact O-N 3.12Å; I152-L176 HydrophobicContact CB-CD2 3.67Å; I152-L176 HydrophobicContact CD1-CD1 3.77Å; I152-L176 HydrophobicContact CD1-CD2 3.73Å; I152-L176 HydrophobicContact CD1-CG 4.33Å; I152-L176 HydrophobicContact CG1-CD2 4.26Å; I152-L176 HydrophobicContact CG2-CD2 3.37Å; I152-I180 HydrophobicContact CG2-CD1 4.37Å; I152-Y184 HydrophobicContact CG2-CD2 3.61Å; I152-Y184 HydrophobicContact CG2-CE2 4.48Å; I152-Y184 HydrophobicContact CG2-CG 3.79Å; I152-P187 VanDerWaalsContact CG1-CD 3.42Å; I152-P187 HydrophobicContact CG1-CG 3.8Å
153I86.9Confident91.4Very high13 Ų1311.6 Ų11.67%0.0676%0.061CC..Hα-helixtrans-60.2-45.3-179.7-66.3163.1000111.1A149 I150 Q155 I180 T324 M328 Y336 F337A149-I153 WeakPolarHBondContact O-CG1 3.24Å; A149-I153 PolarHBondContact O-N 3.34Å; A149-I153 VanDerWaalsContact O-N 3.08Å; I150-I153 PolarHBondContact O-N 3.03Å; I153-Q155 PolarHBondContact O-N 3.14Å; I153-I180 HydrophobicContact CB-CD1 4.34Å; I153-I180 HydrophobicContact CG1-CD1 3.78Å; I153-I180 HydrophobicContact CG1-CG1 4.46Å; I153-T324 HydrophobicContact CD1-CG2 3.8Å; I153-M328 HydrophobicContact CD1-CG 3.88Å; I153-M328 HydrophobicContact CD1-SD 4.44Å; I153-M328 HydrophobicContact CG2-CE 3.75Å; I153-M328 HydrophobicContact CG2-SD 4.39Å; I153-Y336 HydrophobicContact CG2-CD1 3.45Å; I153-Y336 VanDerWaalsContact CG2-CD1 3.45Å; I153-Y336 HydrophobicContact CG2-CD2 4.02Å; I153-Y336 HydrophobicContact CG2-CE1 4.07Å; I153-Y336 HydrophobicContact CG2-CG 3.42Å; I153-Y336 VanDerWaalsContact CG2-CG 3.42Å; I153-F337 HydrophobicContact CD1-CE1 3.89Å; I153-F337 HydrophobicContact CD1-CZ 3.59Å
154L89.9Confident91.5Very high15 Ų1511.7 Ų11.78%0.0796%0.061CC..THydrogen-bonded Turntrans-80.7-1.5179.2-64.6179.9000113.7K26 V28 Y73 I150 I152 C156 M328 Y336K26-L154 HydrophobicContact CD-CB 4.47Å; K26-L154 HydrophobicContact CD-CD2 4.35Å; V28-L154 HydrophobicContact CG2-CD1 4.34Å; Y73-L154 HydrophobicContact CD1-CD1 3.84Å; Y73-L154 HydrophobicContact CD2-CD1 3.9Å; Y73-L154 HydrophobicContact CE1-CD1 3.77Å; Y73-L154 HydrophobicContact CE2-CD1 3.9Å; Y73-L154 HydrophobicContact CG-CD1 3.9Å; I150-L154 HydrophobicContact CG2-CD1 3.64Å; I150-L154 HydrophobicContact CG2-CG 4.15Å; I150-L154 WeakPolarHBondContact O-CB 3.3Å; I150-L154 WeakPolarHBondContact O-CG 3.42Å; I150-L154 PolarHBondContact O-N 3.48Å; I152-L154 VanDerWaalsContact C-N 3.34Å; I152-L154 PolarHBondContact O-N 3.39Å; L154-C156 VanDerWaalsContact C-N 3.3Å; L154-C156 HydrophobicContact CB-CB 4.39Å; L154-C156 PolarHBondContact O-N 3.33Å; L154-M328 HydrophobicContact CD2-CE 3.96Å; L154-M328 HydrophobicContact CG-CE 4.35Å; L154-Y336 HydrophobicContact CD2-CE2 4.42Å
155Q89.6Confident91.6Very high109 Ų10911.4 Ų11.451%0.5096%0.059SC..THydrogen-bonded Turntrans48.147.6-175.5-59.1-1731.700113.6A151 I152 I153A151-Q155 WeakPolarHBondContact O-CA 3.46Å; A151-Q155 PolarHBondContact O-N 2.89Å; I152-Q155 PolarHBondContact O-N 3.39Å; I152-Q155 VanDerWaalsContact O-N 3.12Å; I153-Q155 PolarHBondContact O-N 3.14Å
156C93.8Very high91.8Very high4 Ų411.3 Ų11.33%0.0276%0.058CC..  trans-134165.1-170.777.40000113.2K26 A151 L154 P187K26-C156 HydrophobicContact CB-CB 3.77Å; K26-C156 VanDerWaalsContact O-CB 3.28Å; K26-C156 WeakPolarHBondContact O-CB 3.03Å; A151-C156 PolarHBondContact O-N 3.39Å; L154-C156 VanDerWaalsContact C-N 3.3Å; L154-C156 HydrophobicContact CB-CB 4.39Å; L154-C156 PolarHBondContact O-N 3.33Å; C156-P187 WeakPolarHBondContact O-CB 3.3Å
157P96.4Very high91.8Very high8 Ų811.3 Ų11.35%0.0526%0.058CC..  trans-66.4160.2176.1-21.234.3000113.1F20 L22 K26 V27 V28 T188 L190F20-P157 HydrophobicContact CE1-CG 4.25Å; F20-P157 HydrophobicContact CZ-CG 4.08Å; L22-P157 HydrophobicContact CD1-CG 4.25Å; K26-P157 WeakPolarHBondContact O-CD 3.49Å; V27-P157 HydrophobicContact CG2-CB 4.31Å; V27-P157 WeakPolarHBondContact CG2-O 3.22Å; V28-P157 PolarHBondContact N-O 3.35Å; P157-T188 CarbonylContact C-O 3.55Å; P157-T188 WeakPolarHBondContact CA-O 3.24Å; P157-T188 WeakPolarHBondContact CB-O 3.2Å; P157-L190 HydrophobicContact CB-CD1 3.68Å; P157-L190 HydrophobicContact CB-CG 4Å; P157-L190 HydrophobicContact CG-CD1 4.43Å
158V96.7Very high91.5Very high0 Ų011.9 Ų11.90%06%0.061CC..EExtended strand (participates in β ladder)trans-121.4132.3171.659.20000110.9V28 C147 A151 Y165 M169 T188 F189 L190V28-V158 HydrophobicContact CB-CG2 4.38Å; V28-V158 CarbonylContact O-C 3.56Å; V28-V158 VanDerWaalsContact O-CA 3.27Å; V28-V158 WeakPolarHBondContact O-CA 3.19Å; C147-V158 HydrophobicContact CB-CG2 3.92Å; A151-V158 HydrophobicContact CB-CB 4.06Å; V158-Y165 HydrophobicContact CG1-CD1 4.4Å; V158-Y165 HydrophobicContact CG1-CE1 4.45Å; V158-Y165 HydrophobicContact CG2-CD1 4.41Å; V158-Y165 HydrophobicContact CG2-CE1 3.7Å; V158-M169 HydrophobicContact CG1-CE 3.57Å; V158-M169 HydrophobicContact CG1-SD 3.96Å; V158-T188 PolarHBondContact N-O 3.13Å; V158-F189 HydrophobicContact CG1-CB 4.23Å; V158-F189 HydrophobicContact CG1-CD2 4.08Å; V158-F189 WeakPolarHBondContact O-CD2 3.48Å; V158-L190 PolarHBondContact O-N 3.01Å
159I97.6Very high91.2Very high0 Ų011.5 Ų11.50%06%0.059CC..EExtended strand (participates in β ladder)trans-103.6130.7176-65.8170.5000109.1L22 V27 V28 V29 D30 L190 L192 F216L22-I159 HydrophobicContact CD2-CD1 4.04Å; V27-I159 HydrophobicContact CG1-CD1 4.4Å; V27-I159 HydrophobicContact CG2-CD1 3.59Å; V27-I159 HydrophobicContact CG2-CG1 3.68Å; V28-I159 PolarHBondContact O-N 3.38Å; V29-I159 HydrophobicContact CG1-CB 4.34Å; V29-I159 HydrophobicContact CG1-CG2 4.34Å; V29-I159 HydrophobicContact CG2-CB 4.3Å; V29-I159 HydrophobicContact CG2-CD1 4.28Å; D30-I159 PolarHBondContact N-O 3.04Å; I159-L190 WeakPolarHBondContact CA-O 3.5Å; I159-L190 HydrophobicContact CG1-CB 3.93Å; I159-L190 HydrophobicContact CG1-CD1 4.14Å; I159-L192 HydrophobicContact CG2-CD1 4.23Å; I159-L192 HydrophobicContact CG2-CD2 3.43Å; I159-L192 VanDerWaalsContact CG2-CD2 3.43Å; I159-L192 HydrophobicContact CG2-CG 3.64Å; I159-F216 HydrophobicContact CD1-CE1 4.21Å; I159-F216 HydrophobicContact CD1-CE2 4.49Å; I159-F216 HydrophobicContact CD1-CZ 3.86Å; I159-F216 HydrophobicContact CG1-CE1 4.32Å; I159-F216 HydrophobicContact CG1-CZ 4.44Å; I159-F216 HydrophobicContact CG2-CE1 4.45Å
160G95.8Very high90.4Very high0 Ų011.7 Ų11.70%06%0.06CC..EExtended strand (participates in β ladder)trans-169.9177.8178.500000113.6L190 P191 L192G160-L190 PolarHBondContact N-O 3.05Å; G160-P191 WeakPolarHBondContact O-CA 3.41Å; G160-L192 PolarHBondContact O-N 3.48Å
161L93.8Very high89.1Confident45 Ų4517 Ų1724%0.2368%0.083CC..  trans-121.5-25.7-178.6-173.464.3000112.4D33 L192 R193D33-L161 HydrophobicContact CB-CB 3.64Å; D33-L161 WeakPolarHBondContact OD2-CA 3.48Å; D33-L161 PolarHBondContact OD2-N 3.36Å; L161-L192 HydrophobicContact CB-CD1 4.28Å; L161-L192 HydrophobicContact CD1-CB 4.43Å; L161-R193 HydrophobicContact CD1-CG 3.39Å
162S90.5Very high87.5Confident7 Ų719 Ų195%0.0499%0.09CC..  trans-59135.4180-177.70000112.4M1 D33 D164 Y165M1-S162 PolarHBondContact O-OG 3.06Å; D33-S162 PolarHBondContact OD2-N 2.8Å; S162-D164 PolarHBondContact O-N 2.87Å; S162-D164 WeakPolarHBondContact OG-CB 3.37Å; S162-D164 PolarHBondContact OG-N 2.72Å; S162-Y165 VanDerWaalsContact O-CD2 3.27Å; S162-Y165 WeakPolarHBondContact O-CD2 3.33Å; S162-Y165 PolarHBondContact O-N 2.85Å
163S90.9Very high85.6Confident0 Ų024.5 Ų24.50%012%0.116CC..THydrogen-bonded Turntrans-67.4-14.2172.171.40000113T2 V3 Y165 Y166T2-S163 WeakPolarHBondContact CA-OG 3.35Å; T2-S163 WeakPolarHBondContact CB-OG 3.26Å; T2-S163 VanDerWaalsContact CG2-N 3.28Å; T2-S163 WeakPolarHBondContact CG2-OG 3.49Å; V3-S163 PolarHBondContact N-OG 3.4Å; V3-S163 PolarHBondContact O-OG 2.96Å; S163-Y165 PolarHBondContact O-N 3Å; S163-Y166 WeakPolarHBondContact O-CB 3.46Å; S163-Y166 VanDerWaalsContact O-CD2 3.31Å; S163-Y166 WeakPolarHBondContact O-CD2 3.32Å; S163-Y166 PolarHBondContact O-N 3.34Å; S163-Y166 VanDerWaalsContact O-N 3.1Å
164D90.1Very high83.6Confident7 Ų728.8 Ų28.84%0.03714%0.139CC..Hα-helixtrans-62.3-29.6178.2-63.1-7.4000110.6V3 A144 S162 Y166 I167 L168 R316 F317V3-D164 PolarHBondContact N-OD1 3.21Å; A144-D164 HydrophobicContact CB-CB 4.3Å; S162-D164 PolarHBondContact O-N 2.87Å; S162-D164 WeakPolarHBondContact OG-CB 3.37Å; S162-D164 PolarHBondContact OG-N 2.72Å; D164-Y166 PolarHBondContact O-N 2.81Å; D164-I167 PolarHBondContact O-N 3.29Å; D164-I167 VanDerWaalsContact O-N 3.09Å; D164-L168 WeakPolarHBondContact O-CG 3.33Å; D164-L168 PolarHBondContact O-N 3Å; D164-R316 IonicContact OD1-NH2 3.19Å; D164-R316 IonicContact OD2-CZ 3.91Å; D164-R316 IonicContact OD2-NE 3.72Å; D164-R316 PolarHBondContact OD2-NE 2.67Å; D164-R316 IonicContact OD2-NH2 3.67Å; D164-R316 PolarHBondContact OD2-NH2 3.38Å; D164-F317 HydrophobicContact CB-CE1 3.91Å
165Y92.5Very high81.9Confident0 Ų029 Ų290%014%0.14CC..Hα-helixtrans-57.4-35173.7-72.5-64.8000112.8D30 A144 C147 V158 S162 S163 I167 L168 M169 F189D30-Y165 HydrophobicContact CB-CE2 4.47Å; D30-Y165 VanDerWaalsContact CB-OH 3.31Å; D30-Y165 WeakPolarHBondContact CB-OH 3Å; A144-Y165 WeakPolarHBondContact CA-OH 3.35Å; A144-Y165 HydrophobicContact CB-CE1 4.05Å; A144-Y165 HydrophobicContact CB-CE2 4.16Å; A144-Y165 WeakPolarHBondContact O-CE1 3.39Å; C147-Y165 HydrophobicContact CB-CE1 4.17Å; C147-Y165 WeakPolarHBondContact CB-OH 2.75Å; V158-Y165 HydrophobicContact CG1-CD1 4.4Å; V158-Y165 HydrophobicContact CG1-CE1 4.45Å; V158-Y165 HydrophobicContact CG2-CD1 4.41Å; V158-Y165 HydrophobicContact CG2-CE1 3.7Å; S162-Y165 VanDerWaalsContact O-CD2 3.27Å; S162-Y165 WeakPolarHBondContact O-CD2 3.33Å; S162-Y165 PolarHBondContact O-N 2.85Å; S163-Y165 PolarHBondContact O-N 3Å; Y165-I167 PolarHBondContact O-N 3.33Å; Y165-L168 HydrophobicContact CD1-CD1 4.41Å; Y165-L168 PolarHBondContact O-N 3.05Å; Y165-M169 HydrophobicContact CD1-CE 4.17Å; Y165-M169 VanDerWaalsContact O-CB 3.27Å; Y165-M169 WeakPolarHBondContact O-CB 3.29Å; Y165-M169 WeakPolarHBondContact O-CG 3.39Å; Y165-M169 PolarHBondContact O-N 3Å; Y165-F189 VanDerWaalsContact CB-CZ 3.47Å; Y165-F189 HydrophobicContact CD1-CD2 4.3Å; Y165-F189 HydrophobicContact CD1-CE2 4.29Å; Y165-F189 HydrophobicContact CD2-CD2 4.35Å; Y165-F189 AromaticContact CD2-CE2 3.56Å; Y165-F189 HydrophobicContact CD2-CE2 3.56Å; Y165-F189 AromaticContact CD2-CZ 3.8Å; Y165-F189 HydrophobicContact CD2-CZ 3.8Å; Y165-F189 HydrophobicContact CE2-CE2 4.34Å; Y165-F189 AromaticContact CG-CD2 3.9Å; Y165-F189 HydrophobicContact CG-CD2 3.9Å; Y165-F189 HydrophobicContact CG-CE1 4.46Å; Y165-F189 AromaticContact CG-CE2 3.54Å; Y165-F189 HydrophobicContact CG-CE2 3.54Å; Y165-F189 AromaticContact CG-CZ 3.86Å; Y165-F189 HydrophobicContact CG-CZ 3.86Å
166Y90.7Very high80.1Confident3 Ų324.4 Ų24.41%0.01212%0.119CC..Hα-helixtrans-63.2-31.6178.2-58.5-58.8000113L6 D7 L10 W17 S163 D164 F189 F219L6-Y166 HydrophobicContact CD2-CD2 4.47Å; L6-Y166 HydrophobicContact CG-CD2 4.48Å; D7-Y166 HydrophobicContact CB-CE2 4.16Å; L10-Y166 HydrophobicContact CD1-CD1 3.7Å; L10-Y166 HydrophobicContact CD1-CD2 3.57Å; L10-Y166 HydrophobicContact CD1-CE1 4.29Å; L10-Y166 HydrophobicContact CD1-CE2 4.17Å; L10-Y166 HydrophobicContact CD1-CG 3.32Å; W17-Y166 HydrophobicContact CH2-CD1 4.43Å; W17-Y166 AromaticContact CH2-CE1 3.42Å; W17-Y166 HydrophobicContact CH2-CE1 3.42Å; W17-Y166 VanDerWaalsContact CH2-CE1 3.42Å; W17-Y166 AromaticContact CH2-CZ 3.78Å; W17-Y166 AromaticContact CZ3-CE1 3.9Å; W17-Y166 HydrophobicContact CZ3-CE1 3.9Å; S163-Y166 WeakPolarHBondContact O-CB 3.46Å; S163-Y166 VanDerWaalsContact O-CD2 3.31Å; S163-Y166 WeakPolarHBondContact O-CD2 3.32Å; S163-Y166 PolarHBondContact O-N 3.34Å; S163-Y166 VanDerWaalsContact O-N 3.1Å; D164-Y166 PolarHBondContact O-N 2.81Å; Y166-F189 HydrophobicContact CD1-CD1 4.07Å; Y166-F189 AromaticContact CD1-CE1 3.92Å; Y166-F189 HydrophobicContact CD1-CE1 3.92Å; Y166-F189 AromaticContact CE1-CD1 3.87Å; Y166-F189 HydrophobicContact CE1-CD1 3.87Å; Y166-F189 AromaticContact CE1-CE1 3.45Å; Y166-F189 HydrophobicContact CE1-CE1 3.45Å; Y166-F189 VanDerWaalsContact CE1-CE1 3.45Å; Y166-F189 AromaticContact CZ-CE1 3.83Å; Y166-F219 AromaticContact CD1-CD1 3.83Å; Y166-F219 HydrophobicContact CD1-CD1 3.83Å; Y166-F219 AromaticContact CD1-CD2 3.88Å; Y166-F219 HydrophobicContact CD1-CD2 3.88Å; Y166-F219 AromaticContact CD1-CE1 3.87Å; Y166-F219 HydrophobicContact CD1-CE1 3.87Å; Y166-F219 AromaticContact CD1-CE2 3.91Å; Y166-F219 HydrophobicContact CD1-CE2 3.91Å; Y166-F219 AromaticContact CD1-CG 3.83Å; Y166-F219 HydrophobicContact CD1-CG 3.83Å; Y166-F219 AromaticContact CD1-CZ 3.9Å; Y166-F219 HydrophobicContact CD1-CZ 3.9Å; Y166-F219 HydrophobicContact CE1-CB 4.43Å; Y166-F219 HydrophobicContact CE1-CD1 4.49Å; Y166-F219 HydrophobicContact CE1-CD2 4.01Å; Y166-F219 HydrophobicContact CE1-CE2 4.38Å; Y166-F219 HydrophobicContact CE1-CG 4.07Å
167I89.3Confident77.9Confident0 Ų028.6 Ų28.60%014%0.141CC..Hα-helixtrans-84.4-29.8176.8-53.2-62.3000111.5V3 L6 D164 Y165 S170 L226 L234 A238 F317V3-I167 HydrophobicContact CG2-CG1 4.19Å; L6-I167 HydrophobicContact CD2-CD1 3.75Å; L6-I167 HydrophobicContact CD2-CG1 3.95Å; D164-I167 PolarHBondContact O-N 3.29Å; D164-I167 VanDerWaalsContact O-N 3.09Å; Y165-I167 PolarHBondContact O-N 3.33Å; I167-S170 PolarHBondContact O-OG 3.48Å; I167-L226 HydrophobicContact CD1-CD1 4.02Å; I167-L226 HydrophobicContact CD1-CD2 4.32Å; I167-L234 HydrophobicContact CG2-CB 4.35Å; I167-A238 HydrophobicContact CD1-CB 4.23Å; I167-A238 HydrophobicContact CG1-CB 4.01Å; I167-A238 HydrophobicContact CG2-CB 4.25Å; I167-F317 HydrophobicContact CB-CD1 3.78Å; I167-F317 HydrophobicContact CB-CE1 3.65Å; I167-F317 HydrophobicContact CB-CZ 4.46Å; I167-F317 HydrophobicContact CG1-CE1 4.02Å; I167-F317 HydrophobicContact CG1-CZ 4.48Å; I167-F317 HydrophobicContact CG2-CD1 3.56Å; I167-F317 HydrophobicContact CG2-CE1 3.76Å; I167-F317 HydrophobicContact CG2-CG 4.01Å; I167-F317 HydrophobicContact CG2-CZ 4.35Å
168L87.9Confident75.8Confident12 Ų1232.8 Ų32.86%0.06316%0.163CC..Hα-helixtrans-76.1-25.3177.2-73.4167.7000113A144 T145 T148 D164 Y165 F317A144-L168 HydrophobicContact CB-CD1 3.86Å; T145-L168 HydrophobicContact CG2-CD2 4.16Å; T148-L168 HydrophobicContact CG2-CB 4.17Å; D164-L168 WeakPolarHBondContact O-CG 3.33Å; D164-L168 PolarHBondContact O-N 3Å; Y165-L168 HydrophobicContact CD1-CD1 4.41Å; Y165-L168 PolarHBondContact O-N 3.05Å; L168-F317 HydrophobicContact CD2-CB 4.2Å; L168-F317 HydrophobicContact CD2-CD1 4.36Å; L168-F317 HydrophobicContact CG-CD1 4.19Å
169M84.1Confident73.8Confident1 Ų133.1 Ų33.11%0.00517%0.165CC..SBendtrans-97.5-10.1-175.9-59-73.9133.300113.2T148 V158 Y165 I186 P187 F189 F219 P221T148-M169 HydrophobicContact CG2-CE 3.38Å; T148-M169 WeakPolarHBondContact OG1-CE 3.3Å; V158-M169 HydrophobicContact CG1-CE 3.57Å; V158-M169 HydrophobicContact CG1-SD 3.96Å; Y165-M169 HydrophobicContact CD1-CE 4.17Å; Y165-M169 VanDerWaalsContact O-CB 3.27Å; Y165-M169 WeakPolarHBondContact O-CB 3.29Å; Y165-M169 WeakPolarHBondContact O-CG 3.39Å; Y165-M169 PolarHBondContact O-N 3Å; M169-I186 VanDerWaalsContact O-CG2 3.27Å; M169-I186 WeakPolarHBondContact O-CG2 2.72Å; M169-P187 HydrophobicContact CE-CG 3.81Å; M169-P187 HydrophobicContact SD-CB 4.37Å; M169-P187 HydrophobicContact SD-CG 3.71Å; M169-F189 HydrophobicContact CB-CB 4.45Å; M169-F189 HydrophobicContact CG-CB 3.56Å; M169-F189 HydrophobicContact CG-CG 4.28Å; M169-F189 HydrophobicContact SD-CB 3.83Å; M169-F219 HydrophobicContact CB-CD1 4.41Å; M169-P221 HydrophobicContact CB-CG 4.25Å; M169-P221 WeakPolarHBondContact O-CG 3.44Å
170S71.8Confident71.9Confident7 Ų734.4 Ų34.45%0.04917%0.171CC..SBendtrans-63.8151.7163.749.60000109.8I167 R172 L234I167-S170 PolarHBondContact O-OG 3.48Å; S170-R172 PolarHBondContact O-N 2.94Å; S170-L234 WeakPolarHBondContact OG-CD1 3.2Å
171K61.2Low70Confident110 Ų11038.8 Ų38.848%0.47820%0.202SC..  trans-44.6130.3-173.9-62.1171.5-177.2175.80110I186 D231K171-I186 HydrophobicContact CB-CD1 4.22Å; K171-I186 HydrophobicContact CG-CD1 4.03Å; K171-D231 VanDerWaalsContact CB-OD1 3.32Å; K171-D231 WeakPolarHBondContact CB-OD1 3.41Å; K171-D231 WeakPolarHBondContact CB-OD2 3.28Å; K171-D231 WeakPolarHBondContact O-CB 3.35Å; K171-D231 VanDerWaalsContact O-OD1 3.06Å
172R58.7Low68.3Low42 Ų4242.5 Ų42.516%0.15822%0.218CC..  trans-145.287.8171.8-83-163.4174.5-157.69.7107.6S170 Y184 F317S170-R172 PolarHBondContact O-N 2.94Å; R172-Y184 PolarHBondContact O-OH 2.91Å; R172-F317 PolarHBondContact NH1-O 2.9Å; R172-F317 PolarHBondContact NH2-O 2.81Å
173Q48.7Very low67Low132 Ų13248 Ų4862%0.61725%0.254SS*.  trans-78.9-26.7172.7-75.7174.7-19.800111.6N177 Y184Q173-N177 PolarHBondContact O-ND2 3.43Å; Q173-N177 PolarHBondContact O-OD1 3.14Å; Q173-Y184 VanDerWaalsContact C-OH 3.23Å; Q173-Y184 VanDerWaalsContact CA-OH 3.31Å; Q173-Y184 WeakPolarHBondContact CA-OH 3.46Å; Q173-Y184 PolarHBondContact O-OH 3.48Å
174N46.4Very low65.9Low102 Ų10249.9 Ų49.955%0.54526%0.261SS..THydrogen-bonded Turntrans-85-25.7-162-68-11.4000116.2
175I52.7Low65.1Low19 Ų1955.9 Ų55.910%0.09729%0.293CS..THydrogen-bonded Turntrans-87.3-33.2-172.8-50.6-163.5000112.7V318 C319I175-V318 HydrophobicContact CD1-CG1 4.47Å; I175-C319 HydrophobicContact CG2-CB 4.09Å
176L52.5Low64.5Low14 Ų1459.3 Ų59.37%0.07331%0.31CS..THydrogen-bonded Turntrans-92.8-10.2-178.7-95.889.5000114.8I152 N178 L179 I180 Y184I152-L176 HydrophobicContact CB-CD2 3.67Å; I152-L176 HydrophobicContact CD1-CD1 3.77Å; I152-L176 HydrophobicContact CD1-CD2 3.73Å; I152-L176 HydrophobicContact CD1-CG 4.33Å; I152-L176 HydrophobicContact CG1-CD2 4.26Å; I152-L176 HydrophobicContact CG2-CD2 3.37Å; L176-N178 PolarHBondContact O-N 3.19Å; L176-L179 HydrophobicContact CD1-CD1 4.5Å; L176-L179 HydrophobicContact CG-CB 4.49Å; L176-L179 HydrophobicContact CG-CD1 3.91Å; L176-L179 WeakPolarHBondContact O-CB 3.22Å; L176-L179 PolarHBondContact O-N 3.3Å; L176-I180 HydrophobicContact CD2-CD1 4.17Å; L176-Y184 HydrophobicContact CB-CD1 4.46Å; L176-Y184 HydrophobicContact CB-CE1 3.88Å; L176-Y184 HydrophobicContact CB-CE2 4.03Å
177N47.6Very low64.3Low91 Ų9159.7 Ų59.749%0.48731%0.313SS..THydrogen-bonded Turntrans-56.3-25.3176.8-77.8-1.6000113.1Q173 Y184Q173-N177 PolarHBondContact O-ND2 3.43Å; Q173-N177 PolarHBondContact O-OD1 3.14Å; N177-Y184 WeakPolarHBondContact OD1-CE1 3.37Å; N177-Y184 PolarHBondContact OD1-OH 2.85Å
178N52.6Low64.4Low97 Ų9761.8 Ų61.852%0.51933%0.326SS..THydrogen-bonded Turntrans-86.2-5.9177.7-66.7-16.3000114L176 I343L176-N178 PolarHBondContact O-N 3.19Å; N178-I343 HydrophobicContact CB-CD1 4.39Å
179L54.3Low64.8Low6 Ų661.2 Ų61.23%0.03132%0.323CS..THydrogen-bonded Turntrans-105.7-34.5-165.8-65.4-178.5000114.5L176 L321L176-L179 HydrophobicContact CD1-CD1 4.5Å; L176-L179 HydrophobicContact CG-CB 4.49Å; L176-L179 HydrophobicContact CG-CD1 3.91Å; L176-L179 WeakPolarHBondContact O-CB 3.22Å; L176-L179 PolarHBondContact O-N 3.3Å; L179-L321 HydrophobicContact CD1-CD1 3.76Å; L179-L321 HydrophobicContact CD2-CD1 3.14Å; L179-L321 HydrophobicContact CD2-CD2 3.58Å; L179-L321 HydrophobicContact CD2-CG 3.95Å; L179-L321 HydrophobicContact CG-CD1 4.07Å
180I58Low65.3Low27 Ų2761.2 Ų61.214%0.13832%0.323CS..  trans-132.9129.3-174.4-49.4171.5000107.6I152 I153 L176 Q182I152-I180 HydrophobicContact CG2-CD1 4.37Å; I153-I180 HydrophobicContact CB-CD1 4.34Å; I153-I180 HydrophobicContact CG1-CD1 3.78Å; I153-I180 HydrophobicContact CG1-CG1 4.46Å; L176-I180 HydrophobicContact CD2-CD1 4.17Å; I180-Q182 HydrophobicContact CG2-CB 4.02Å; I180-Q182 PolarHBondContact O-N 3.47Å
181S55.7Low66.4Low93 Ų9361 Ų6165%0.6532%0.321SS*.SBendtrans-65.9-14.3177.5-44.60000113.5N338S181-N338 PolarHBondContact OG-ND2 3.23Å; S181-N338 PolarHBondContact OG-OD1 2.56Å; S181-N338 VanDerWaalsContact OG-OD1 3.13Å
182Q58.7Low68Low122 Ų12255.7 Ų55.757%0.5730%0.298SS*.SBendtrans-98.8148-173.3-64.4-175.5-7.200111.6I180 Y184I180-Q182 HydrophobicContact CG2-CB 4.02Å; I180-Q182 PolarHBondContact O-N 3.47Å; Q182-Y184 PolarHBondContact O-N 3.44Å
183P62.5Low69.4Low122 Ų12258.7 Ų58.779%0.79231%0.309SS*.  trans-57.7124167.925.7-33000109
184Y68.1Low71.2Confident41 Ų4154.8 Ų54.816%0.16129%0.292CS..  trans-105.8149.9177.959.8-88.4000111.1I152 R172 Q173 L176 N177 Q182I152-Y184 HydrophobicContact CG2-CD2 3.61Å; I152-Y184 HydrophobicContact CG2-CE2 4.48Å; I152-Y184 HydrophobicContact CG2-CG 3.79Å; R172-Y184 PolarHBondContact O-OH 2.91Å; Q173-Y184 VanDerWaalsContact C-OH 3.23Å; Q173-Y184 VanDerWaalsContact CA-OH 3.31Å; Q173-Y184 WeakPolarHBondContact CA-OH 3.46Å; Q173-Y184 PolarHBondContact O-OH 3.48Å; L176-Y184 HydrophobicContact CB-CD1 4.46Å; L176-Y184 HydrophobicContact CB-CE1 3.88Å; L176-Y184 HydrophobicContact CB-CE2 4.03Å; N177-Y184 WeakPolarHBondContact OD1-CE1 3.37Å; N177-Y184 PolarHBondContact OD1-OH 2.85Å; Q182-Y184 PolarHBondContact O-N 3.44Å
185L73.4Confident73.1Confident133 Ų13350.2 Ų50.270%0.69627%0.269SS*.PPolyproline II helixtrans-97.3146.9171.4-67.6170.7000109.4
186I80Confident74.6Confident71 Ų7152.7 Ų52.736%0.36428%0.282SS..PPolyproline II helixtrans-62.9127.5168.3-61.3165.5000107.3M169 K171M169-I186 VanDerWaalsContact O-CG2 3.27Å; M169-I186 WeakPolarHBondContact O-CG2 2.72Å; K171-I186 HydrophobicContact CB-CD1 4.22Å; K171-I186 HydrophobicContact CG-CD1 4.03Å
187P85.8Confident75.9Confident11 Ų1152.4 Ų52.47%0.07128%0.281CS..PPolyproline II helixtrans-64.4149.7-178.623.7-32.9000110.4T148 A151 I152 C156 M169 F189T148-P187 HydrophobicContact CG2-CG 4.43Å; A151-P187 HydrophobicContact CB-CB 3.75Å; A151-P187 HydrophobicContact CB-CG 4.08Å; I152-P187 VanDerWaalsContact CG1-CD 3.42Å; I152-P187 HydrophobicContact CG1-CG 3.8Å; C156-P187 WeakPolarHBondContact O-CB 3.3Å; M169-P187 HydrophobicContact CE-CG 3.81Å; M169-P187 HydrophobicContact SD-CB 4.37Å; M169-P187 HydrophobicContact SD-CG 3.71Å; P187-F189 PolarHBondContact O-N 2.98Å
188T92.4Very high77.2Confident44 Ų4453.8 Ų53.827%0.2729%0.288SS..PPolyproline II helixtrans-77.8118.8175.8-63.20000108.8F20 P157 V158 L190 K218F20-T188 HydrophobicContact CD2-CG2 4.45Å; F20-T188 HydrophobicContact CE2-CG2 4.46Å; P157-T188 CarbonylContact C-O 3.55Å; P157-T188 WeakPolarHBondContact CA-O 3.24Å; P157-T188 WeakPolarHBondContact CB-O 3.2Å; V158-T188 PolarHBondContact N-O 3.13Å; T188-L190 HydrophobicContact CG2-CD2 3.74Å; T188-L190 HydrophobicContact CG2-CG 4.46Å; T188-K218 HydrophobicContact CG2-CB 3.4Å; T188-K218 HydrophobicContact CG2-CD 3.84Å; T188-K218 HydrophobicContact CG2-CG 4.19Å
189F94.8Very high78.1Confident1 Ų150.7 Ų50.70%0.00427%0.271CS..EExtended strand (participates in β ladder)trans-86124.6173.5173.6-129.5000111.9V158 Y165 Y166 M169 P187 P191 K218 F219V158-F189 HydrophobicContact CG1-CB 4.23Å; V158-F189 HydrophobicContact CG1-CD2 4.08Å; V158-F189 WeakPolarHBondContact O-CD2 3.48Å; Y165-F189 VanDerWaalsContact CB-CZ 3.47Å; Y165-F189 HydrophobicContact CD1-CD2 4.3Å; Y165-F189 HydrophobicContact CD1-CE2 4.29Å; Y165-F189 HydrophobicContact CD2-CD2 4.35Å; Y165-F189 AromaticContact CD2-CE2 3.56Å; Y165-F189 HydrophobicContact CD2-CE2 3.56Å; Y165-F189 AromaticContact CD2-CZ 3.8Å; Y165-F189 HydrophobicContact CD2-CZ 3.8Å; Y165-F189 HydrophobicContact CE2-CE2 4.34Å; Y165-F189 AromaticContact CG-CD2 3.9Å; Y165-F189 HydrophobicContact CG-CD2 3.9Å; Y165-F189 HydrophobicContact CG-CE1 4.46Å; Y165-F189 AromaticContact CG-CE2 3.54Å; Y165-F189 HydrophobicContact CG-CE2 3.54Å; Y165-F189 AromaticContact CG-CZ 3.86Å; Y165-F189 HydrophobicContact CG-CZ 3.86Å; Y166-F189 HydrophobicContact CD1-CD1 4.07Å; Y166-F189 AromaticContact CD1-CE1 3.92Å; Y166-F189 HydrophobicContact CD1-CE1 3.92Å; Y166-F189 AromaticContact CE1-CD1 3.87Å; Y166-F189 HydrophobicContact CE1-CD1 3.87Å; Y166-F189 AromaticContact CE1-CE1 3.45Å; Y166-F189 HydrophobicContact CE1-CE1 3.45Å; Y166-F189 VanDerWaalsContact CE1-CE1 3.45Å; Y166-F189 AromaticContact CZ-CE1 3.83Å; M169-F189 HydrophobicContact CB-CB 4.45Å; M169-F189 HydrophobicContact CG-CB 3.56Å; M169-F189 HydrophobicContact CG-CG 4.28Å; M169-F189 HydrophobicContact SD-CB 3.83Å; P187-F189 PolarHBondContact O-N 2.98Å; F189-P191 HydrophobicContact CE1-CB 4Å; F189-P191 HydrophobicContact CZ-CB 4Å; F189-P191 VanDerWaalsContact O-CD 3.27Å; F189-P191 WeakPolarHBondContact O-CD 3.2Å; F189-K218 WeakPolarHBondContact O-CA 3.42Å; F189-F219 HydrophobicContact CB-CB 4.41Å; F189-F219 HydrophobicContact CD1-CB 3.98Å; F189-F219 PolarHBondContact O-N 3.23Å
190L96Very high78.4Confident0 Ų054.6 Ų54.60%030%0.299CS..EExtended strand (participates in β ladder)trans-109.589.5-179.7-56.5-176.7000109.2F20 L22 P157 V158 I159 G160 T188 L192 F216 K218F20-L190 HydrophobicContact CB-CD2 4.11Å; F20-L190 HydrophobicContact CD1-CD1 3.95Å; F20-L190 HydrophobicContact CD1-CD2 3.59Å; F20-L190 HydrophobicContact CD1-CG 4.44Å; F20-L190 HydrophobicContact CE1-CD1 3.99Å; F20-L190 HydrophobicContact CE1-CD2 4.2Å; F20-L190 HydrophobicContact CG-CD2 3.91Å; L22-L190 HydrophobicContact CD1-CD1 3.96Å; L22-L190 HydrophobicContact CD2-CD1 4.42Å; P157-L190 HydrophobicContact CB-CD1 3.68Å; P157-L190 HydrophobicContact CB-CG 4Å; P157-L190 HydrophobicContact CG-CD1 4.43Å; V158-L190 PolarHBondContact O-N 3.01Å; I159-L190 WeakPolarHBondContact CA-O 3.5Å; I159-L190 HydrophobicContact CG1-CB 3.93Å; I159-L190 HydrophobicContact CG1-CD1 4.14Å; G160-L190 PolarHBondContact N-O 3.05Å; T188-L190 HydrophobicContact CG2-CD2 3.74Å; T188-L190 HydrophobicContact CG2-CG 4.46Å; L190-L192 PolarHBondContact O-N 3.44Å; L190-F216 HydrophobicContact CB-CB 4.22Å; L190-F216 HydrophobicContact CB-CD1 3.89Å; L190-F216 HydrophobicContact CB-CG 4.13Å; L190-F216 HydrophobicContact CD1-CB 4.45Å; L190-F216 HydrophobicContact CD1-CD2 4.37Å; L190-F216 HydrophobicContact CD1-CG 4.26Å; L190-F216 HydrophobicContact CD2-CB 4.01Å; L190-F216 HydrophobicContact CG-CB 4.45Å; L190-K218 HydrophobicContact CD2-CB 3.79Å
191P95Very high77.9Confident2 Ų257.6 Ų57.61%0.01332%0.315CS..EExtended strand (participates in β ladder)trans-63.1127.717827.3-38.7000111.6W17 G160 F189 R193 L194 H217W17-P191 HydrophobicContact CE3-CG 4.3Å; W17-P191 HydrophobicContact CZ3-CG 3.78Å; G160-P191 WeakPolarHBondContact O-CA 3.41Å; F189-P191 HydrophobicContact CE1-CB 4Å; F189-P191 HydrophobicContact CZ-CB 4Å; F189-P191 VanDerWaalsContact O-CD 3.27Å; F189-P191 WeakPolarHBondContact O-CD 3.2Å; P191-R193 PolarHBondContact O-N 2.92Å; P191-R193 VanDerWaalsContact O-N 3.16Å; P191-L194 HydrophobicContact CG-CB 4.28Å; P191-L194 HydrophobicContact CG-CD1 4.08Å; P191-L194 HydrophobicContact CG-CG 4.3Å; P191-L194 PolarHBondContact O-N 3.23Å; P191-L194 VanDerWaalsContact O-N 3.14Å; P191-H217 WeakPolarHBondContact CD-O 3.34Å; P191-H217 WeakPolarHBondContact CG-O 3.5Å
192L94.2Very high77.4Confident0 Ų055.5 Ų55.50%030%0.296CS..G310 helixtrans-56.9-33.2177-76.5166000112.8D33 L34 F37 I159 G160 L161 L190 L194 A195D33-L192 HydrophobicContact CB-CD1 4.2Å; L34-L192 HydrophobicContact CB-CD1 4.27Å; L34-L192 HydrophobicContact CD1-CD1 4.37Å; L34-L192 HydrophobicContact CD1-CD2 3.7Å; F37-L192 HydrophobicContact CB-CB 4.34Å; F37-L192 HydrophobicContact CB-CD1 4.02Å; F37-L192 HydrophobicContact CD1-CB 3.99Å; F37-L192 HydrophobicContact CD1-CD1 4.49Å; F37-L192 HydrophobicContact CD1-CD2 3.82Å; F37-L192 HydrophobicContact CD1-CG 4.32Å; F37-L192 HydrophobicContact CD2-CB 4.03Å; F37-L192 HydrophobicContact CE1-CB 4.18Å; F37-L192 HydrophobicContact CE1-CD2 4.08Å; F37-L192 HydrophobicContact CE2-CB 4.25Å; F37-L192 VanDerWaalsContact CE2-O 3.23Å; F37-L192 WeakPolarHBondContact CE2-O 3.12Å; F37-L192 HydrophobicContact CG-CB 3.87Å; F37-L192 HydrophobicContact CG-CD1 4.35Å; F37-L192 HydrophobicContact CG-CD2 4.42Å; F37-L192 HydrophobicContact CG-CG 4.45Å; F37-L192 HydrophobicContact CZ-CB 4.3Å; F37-L192 WeakPolarHBondContact CZ-O 2.82Å; I159-L192 HydrophobicContact CG2-CD1 4.23Å; I159-L192 HydrophobicContact CG2-CD2 3.43Å; I159-L192 VanDerWaalsContact CG2-CD2 3.43Å; I159-L192 HydrophobicContact CG2-CG 3.64Å; G160-L192 PolarHBondContact O-N 3.48Å; L161-L192 HydrophobicContact CB-CD1 4.28Å; L161-L192 HydrophobicContact CD1-CB 4.43Å; L190-L192 PolarHBondContact O-N 3.44Å; L192-L194 PolarHBondContact O-N 3.46Å; L192-A195 WeakPolarHBondContact O-CB 3.39Å; L192-A195 PolarHBondContact O-N 2.73Å
193R88.4Confident76.6Confident105 Ų10554.4 Ų54.440%0.39629%0.294SS..G310 helixtrans-59.7-30-179.7-66.9-175.1-178.1178.97.4114.1D7 L161 P191D7-R193 IonicContact OD2-CZ 3.17Å; D7-R193 IonicContact OD2-NH1 3.56Å; D7-R193 PolarHBondContact OD2-NH1 2.97Å; D7-R193 IonicContact OD2-NH2 2.66Å; D7-R193 PolarHBondContact OD2-NH2 2.99Å; L161-R193 HydrophobicContact CD1-CG 3.39Å; P191-R193 PolarHBondContact O-N 2.92Å; P191-R193 VanDerWaalsContact O-N 3.16Å
194L85.6Confident75.6Confident49 Ų4954.2 Ų54.226%0.25729%0.287SS..G310 helixtrans-10415.2-179.7-55.6178000111.8L11 W17 P191 L192 H217L11-L194 HydrophobicContact CD2-CD1 3.86Å; L11-L194 HydrophobicContact CD2-CD2 4.01Å; L11-L194 HydrophobicContact CD2-CG 4Å; W17-L194 HydrophobicContact CD2-CD1 3.63Å; W17-L194 HydrophobicContact CE3-CD1 3.55Å; W17-L194 HydrophobicContact CG-CD1 4.09Å; W17-L194 HydrophobicContact CH2-CD1 4.46Å; W17-L194 HydrophobicContact CZ3-CD1 4Å; P191-L194 HydrophobicContact CG-CB 4.28Å; P191-L194 HydrophobicContact CG-CD1 4.08Å; P191-L194 HydrophobicContact CG-CG 4.3Å; P191-L194 PolarHBondContact O-N 3.23Å; P191-L194 VanDerWaalsContact O-N 3.14Å; L192-L194 PolarHBondContact O-N 3.46Å; L194-H217 HydrophobicContact CB-CB 3.7Å; L194-H217 HydrophobicContact CD1-CB 3.82Å; L194-H217 HydrophobicContact CG-CB 4.4Å; L194-H217 PolarHBondContact O-N 3.22Å; L194-H217 PolarHBondContact O-ND1 3.01Å
195A86.7Confident74.4Confident6 Ų658.1 Ų58.15%0.0532%0.32CS..  trans-79.5124.5173.700000110.2L192 L197 F216L192-A195 WeakPolarHBondContact O-CB 3.39Å; L192-A195 PolarHBondContact O-N 2.73Å; A195-L197 HydrophobicContact CB-CD2 3.89Å; A195-L197 HydrophobicContact CB-CG 4.33Å; A195-L197 PolarHBondContact O-N 2.71Å; A195-F216 HydrophobicContact CB-CD1 3.54Å; A195-F216 HydrophobicContact CB-CE1 3.41Å; A195-F216 VanDerWaalsContact CB-CE1 3.41Å; A195-F216 HydrophobicContact CB-CG 4.41Å; A195-F216 HydrophobicContact CB-CZ 4.19Å
196N84.1Confident72.8Confident72 Ų7254.9 Ų54.939%0.38531%0.308SS..BIsolated β-bridgetrans-89.199165-173.91.9000108.6N198 L215N196-N198 PolarHBondContact ND2-ND2 3.41Å; N196-N198 VanDerWaalsContact OD1-CG 3.24Å; N196-N198 PolarHBondContact OD1-N 2.92Å; N196-N198 PolarHBondContact OD1-OD1 3.2Å; N196-L215 HydrophobicContact CB-CB 4.29Å; N196-L215 HydrophobicContact CB-CD2 4.25Å; N196-L215 HydrophobicContact CB-CG 4.45Å; N196-L215 PolarHBondContact N-O 3.22Å
197L80Confident71.1Confident8 Ų860.6 Ų60.64%0.04233%0.331CS..  trans-80.1-15.1-174.4-67-169.5000114.5F37 L38 F42 F61 A195 L199 M214F37-L197 HydrophobicContact CD1-CD1 4.22Å; F37-L197 HydrophobicContact CE1-CD1 3.51Å; F37-L197 HydrophobicContact CE1-CG 4.07Å; F37-L197 HydrophobicContact CZ-CD1 4.43Å; L38-L197 HydrophobicContact CD2-CD1 3.37Å; F42-L197 HydrophobicContact CE2-CD1 3.91Å; F42-L197 HydrophobicContact CZ-CD1 4.36Å; F61-L197 HydrophobicContact CD2-CD1 4.23Å; F61-L197 HydrophobicContact CD2-CD2 3.76Å; F61-L197 HydrophobicContact CE2-CD2 3.68Å; A195-L197 HydrophobicContact CB-CD2 3.89Å; A195-L197 HydrophobicContact CB-CG 4.33Å; A195-L197 PolarHBondContact O-N 2.71Å; L197-L199 HydrophobicContact CB-CD2 4.24Å; L197-L199 HydrophobicContact CB-CG 4.04Å; L197-L199 WeakPolarHBondContact O-CD2 3.47Å; L197-L199 WeakPolarHBondContact O-CG 3.38Å; L197-L199 PolarHBondContact O-N 3.29Å; L197-M214 HydrophobicContact CD2-CE 4.35Å
198N74.1Confident69.2Low120 Ų12066.6 Ų66.664%0.64236%0.362SS*.  trans17.764.4-177.6-84-12.5000113.3N196 S200N196-N198 PolarHBondContact ND2-ND2 3.41Å; N196-N198 VanDerWaalsContact OD1-CG 3.24Å; N196-N198 PolarHBondContact OD1-N 2.92Å; N196-N198 PolarHBondContact OD1-OD1 3.2Å; N198-S200 PolarHBondContact O-N 2.96Å
199L73.4Confident66.9Low31 Ų3172.4 Ų72.416%0.16239%0.391CS..  trans-81.563-179.2-57.7-177.3000107.9F42 A57 F61 L197 L201F42-L199 HydrophobicContact CD1-CD1 4.41Å; F42-L199 HydrophobicContact CD2-CD1 4.07Å; F42-L199 HydrophobicContact CE1-CD1 3.84Å; F42-L199 HydrophobicContact CE1-CG 4.42Å; F42-L199 HydrophobicContact CE2-CD1 3.45Å; F42-L199 VanDerWaalsContact CE2-CD1 3.45Å; F42-L199 HydrophobicContact CE2-CG 4.4Å; F42-L199 HydrophobicContact CZ-CB 4.48Å; F42-L199 HydrophobicContact CZ-CD1 3.33Å; F42-L199 HydrophobicContact CZ-CG 3.9Å; A57-L199 HydrophobicContact CB-CD1 4.05Å; A57-L199 WeakPolarHBondContact O-CD1 3.31Å; F61-L199 HydrophobicContact CB-CD2 4.2Å; L197-L199 HydrophobicContact CB-CD2 4.24Å; L197-L199 HydrophobicContact CB-CG 4.04Å; L197-L199 WeakPolarHBondContact O-CD2 3.47Å; L197-L199 WeakPolarHBondContact O-CG 3.38Å; L197-L199 PolarHBondContact O-N 3.29Å; L199-L201 PolarHBondContact O-N 3.19Å; L199-L201 VanDerWaalsContact O-N 3.14Å
200S58.6Low65Low88 Ų8874.8 Ų74.862%0.61542%0.416SS*.  trans-59.9119.6164.854.80000106.3N198 L202N198-S200 PolarHBondContact O-N 2.96Å; S200-L202 PolarHBondContact O-N 3.4Å
201L48.9Very low63.4Low90 Ų9082.2 Ų82.247%0.47145%0.451SS..  trans-44.8113.3174-68.2156.3000107.1V56 L199 N203 S554V56-L201 HydrophobicContact CG1-CD2 3.54Å; L199-L201 PolarHBondContact O-N 3.19Å; L199-L201 VanDerWaalsContact O-N 3.14Å; L201-N203 PolarHBondContact O-N 3.19Å; L201-S554 WeakPolarHBondContact CD1-OG 3.46Å
202L45.3Very low62.8Low49 Ų4986 Ų8626%0.25747%0.467SS..THydrogen-bonded Turntrans-6941.6-178.1-75.8158.6000111.6L63 S200L63-L202 HydrophobicContact CB-CD1 3.41Å; L63-L202 VanDerWaalsContact CB-CD1 3.41Å; L63-L202 HydrophobicContact CD1-CD1 3.68Å; L63-L202 HydrophobicContact CG-CD1 4.15Å; S200-L202 PolarHBondContact O-N 3.4Å
203N42.2Very low62.5Low99 Ų9987.9 Ų87.953%0.52948%0.483SS..THydrogen-bonded Turntrans-72.8-18.9167.2-73-4.4000111.1L201 S205 S554L201-N203 PolarHBondContact O-N 3.19Å; N203-S205 PolarHBondContact O-N 2.95Å; N203-S554 PolarHBondContact ND2-OG 3.15Å
204D41.3Very low62.7Low118 Ų11883.3 Ų83.363%0.63147%0.466SS*.  trans-87.184.4166.2-82.9-43.3000110.2S206D204-S206 WeakPolarHBondContact CB-OG 3.16Å; D204-S206 PolarHBondContact O-N 2.8Å; D204-S206 PolarHBondContact OD1-OG 2.63Å
205S42.3Very low63Low124 Ų12483.1 Ų83.187%0.86747%0.465SS*.  trans-632.3148.154.20000111.9N203 K207N203-S205 PolarHBondContact O-N 2.95Å; S205-K207 PolarHBondContact O-N 3.48Å
206S40.5Very low63.4Low64 Ų6482.9 Ų82.945%0.44846%0.463SS..SBendtrans-79.4100.9178.571.90000111.9D204 N208D204-S206 WeakPolarHBondContact CB-OG 3.16Å; D204-S206 PolarHBondContact O-N 2.8Å; D204-S206 PolarHBondContact OD1-OG 2.63Å; S206-N208 PolarHBondContact O-N 2.76Å
207K44.3Very low63.9Low191 Ų19182.5 Ų82.583%0.8346%0.459SS*.SBendtrans63.512.8135.4-68.6-174.6176.2179.40121.8S205 N209S205-K207 PolarHBondContact O-N 3.48Å; K207-N209 PolarHBondContact O-N 2.81Å
208N44.7Very low64.6Low137 Ų13784.2 Ų84.273%0.73347%0.466SS*.  trans-89.783.6160.7-81.4-8.1000110.7S206 G210S206-N208 PolarHBondContact O-N 2.76Å; N208-G210 PolarHBondContact O-N 3.37Å; N208-G210 VanDerWaalsContact O-N 3.09Å
209N45.2Very low65.6Low166 Ų16678.8 Ų78.889%0.88844%0.437SS*.  trans-66.210.2163.4-80.4-1.3000113K207K207-N209 PolarHBondContact O-N 2.81Å
210G54.9Low66.5Low51 Ų5178.9 Ų78.953%0.52644%0.437SS..SBendtrans-65.6137.8170.700000109.7N208 K212N208-G210 PolarHBondContact O-N 3.37Å; N208-G210 VanDerWaalsContact O-N 3.09Å; G210-K212 PolarHBondContact O-N 3.03Å
211E61.8Low67.9Low157 Ų15776.1 Ų76.173%0.73442%0.417SS*.  trans-51.4109.1172.5-61.9-166.214500109.8K23 A213K23-E211 HydrophobicContact CD-CB 4.47Å; K23-E211 IonicContact NZ-OE1 3.09Å; K23-E211 PolarHBondContact NZ-OE1 3.43Å; K23-E211 IonicContact NZ-OE2 2.93Å; K23-E211 PolarHBondContact NZ-OE2 3.31Å; E211-A213 PolarHBondContact O-N 3.35Å
212K82.1Confident69.7Low81 Ų8179.4 Ų79.435%0.35243%0.427SS..  trans-78.2124.8175.4-72-175.2-179.3177.30107.5C67 S68 G210C67-K212 HydrophobicContact CB-CB 4.24Å; C67-K212 HydrophobicContact CB-CD 3.94Å; S68-K212 VanDerWaalsContact CA-O 3.26Å; S68-K212 WeakPolarHBondContact CA-O 3.48Å; S68-K212 WeakPolarHBondContact CB-O 3.32Å; S68-K212 PolarHBondContact OG-O 3.28Å; G210-K212 PolarHBondContact O-N 3.03Å
213A88.3Confident71.9Confident39 Ų3981.8 Ų81.832%0.32244%0.44SS..  trans-130.4144.7171.200000108.8F21 K23 E211F21-A213 HydrophobicContact CB-CB 3.93Å; F21-A213 HydrophobicContact CD1-CB 4.29Å; K23-A213 HydrophobicContact CB-CB 4Å; K23-A213 HydrophobicContact CD-CB 4.38Å; K23-A213 HydrophobicContact CG-CB 4.4Å; E211-A213 PolarHBondContact O-N 3.35Å
214M91.9Very high74.1Confident10 Ų1077.4 Ų77.45%0.04942%0.417CS..EExtended strand (participates in β ladder)trans-89.3125.8178.3-62.4177.46900110L22 F61 N64 L65 L197 F216L22-M214 HydrophobicContact CB-CB 4.28Å; L22-M214 PolarHBondContact N-O 3.22Å; L22-M214 PolarHBondContact O-N 2.98Å; F61-M214 HydrophobicContact CD2-CE 3.78Å; F61-M214 HydrophobicContact CE2-CE 3.48Å; F61-M214 VanDerWaalsContact CE2-CE 3.48Å; F61-M214 HydrophobicContact CZ-CE 4.15Å; N64-M214 HydrophobicContact CB-CE 4.24Å; N64-M214 HydrophobicContact CB-CG 4.19Å; N64-M214 HydrophobicContact CB-SD 3.95Å; L65-M214 HydrophobicContact CB-SD 4.47Å; L65-M214 HydrophobicContact CD2-CE 4.31Å; L65-M214 HydrophobicContact CD2-SD 3.51Å; L65-M214 VanDerWaalsContact CD2-SD 3.51Å; L65-M214 HydrophobicContact CG-CE 4.49Å; L65-M214 HydrophobicContact CG-SD 3.85Å; L197-M214 HydrophobicContact CD2-CE 4.35Å; M214-F216 HydrophobicContact CB-CD2 4.25Å; M214-F216 HydrophobicContact CB-CE2 3.72Å; M214-F216 HydrophobicContact CE-CE2 4.23Å; M214-F216 HydrophobicContact CE-CZ 4.3Å
215L93.4Very high76.4Confident45 Ų4574.3 Ų74.324%0.23640%0.4CS..EExtended strand (participates in β ladder)trans-86.2119.5-179.3177.865.6000111.5P19 F21 N196P19-L215 HydrophobicContact CB-CD1 4.08Å; F21-L215 HydrophobicContact CD1-CB 4.45Å; F21-L215 HydrophobicContact CD1-CD1 4.12Å; F21-L215 HydrophobicContact CE1-CB 4.35Å; F21-L215 HydrophobicContact CE1-CD1 3.81Å; F21-L215 HydrophobicContact CE2-CD1 4.39Å; F21-L215 HydrophobicContact CZ-CD1 3.96Å; N196-L215 HydrophobicContact CB-CB 4.29Å; N196-L215 HydrophobicContact CB-CD2 4.25Å; N196-L215 HydrophobicContact CB-CG 4.45Å; N196-L215 PolarHBondContact N-O 3.22Å
216F95.2Very high78.6Confident1 Ų168.4 Ų68.40%0.00436%0.359CS..EExtended strand (participates in β ladder)trans-118.5169.9168-69.4-98.3000109.7P19 F20 L22 I159 L190 A195 M214P19-F216 CarbonylContact C-O 3.49Å; F20-F216 PolarHBondContact N-O 2.76Å; F20-F216 PolarHBondContact O-N 2.99Å; L22-F216 HydrophobicContact CB-CD2 4.03Å; L22-F216 HydrophobicContact CB-CE2 4.19Å; L22-F216 HydrophobicContact CD2-CD2 4.33Å; L22-F216 HydrophobicContact CD2-CE2 3.78Å; L22-F216 HydrophobicContact CD2-CZ 4.48Å; I159-F216 HydrophobicContact CD1-CE1 4.21Å; I159-F216 HydrophobicContact CD1-CE2 4.49Å; I159-F216 HydrophobicContact CD1-CZ 3.86Å; I159-F216 HydrophobicContact CG1-CE1 4.32Å; I159-F216 HydrophobicContact CG1-CZ 4.44Å; I159-F216 HydrophobicContact CG2-CE1 4.45Å; L190-F216 HydrophobicContact CB-CB 4.22Å; L190-F216 HydrophobicContact CB-CD1 3.89Å; L190-F216 HydrophobicContact CB-CG 4.13Å; L190-F216 HydrophobicContact CD1-CB 4.45Å; L190-F216 HydrophobicContact CD1-CD2 4.37Å; L190-F216 HydrophobicContact CD1-CG 4.26Å; L190-F216 HydrophobicContact CD2-CB 4.01Å; L190-F216 HydrophobicContact CG-CB 4.45Å; A195-F216 HydrophobicContact CB-CD1 3.54Å; A195-F216 HydrophobicContact CB-CE1 3.41Å; A195-F216 VanDerWaalsContact CB-CE1 3.41Å; A195-F216 HydrophobicContact CB-CG 4.41Å; A195-F216 HydrophobicContact CB-CZ 4.19Å; M214-F216 HydrophobicContact CB-CD2 4.25Å; M214-F216 HydrophobicContact CB-CE2 3.72Å; M214-F216 HydrophobicContact CE-CE2 4.23Å; M214-F216 HydrophobicContact CE-CZ 4.3Å
217H94.5Very high80.8Confident63 Ų6368.2 Ų68.229%0.29236%0.36SS..EExtended strand (participates in β ladder)trans-113.6111.9163.3-62.870.8000107.9W17 E18 P191 L194W17-H217 HydrophobicContact CB-CB 4.43Å; E18-H217 CarbonylContact O-C 3.4Å; E18-H217 VanDerWaalsContact O-CA 3.24Å; E18-H217 WeakPolarHBondContact O-CA 3.31Å; P191-H217 WeakPolarHBondContact CD-O 3.34Å; P191-H217 WeakPolarHBondContact CG-O 3.5Å; L194-H217 HydrophobicContact CB-CB 3.7Å; L194-H217 HydrophobicContact CD1-CB 3.82Å; L194-H217 HydrophobicContact CG-CB 4.4Å; L194-H217 PolarHBondContact O-N 3.22Å; L194-H217 PolarHBondContact O-ND1 3.01Å
218K94.6Very high82.9Confident44 Ų4466.1 Ų66.119%0.19135%0.351CS..EExtended strand (participates in β ladder)trans-71.4144.5179.566.9-179.2177.4-163.70110.6W17 E18 F20 T188 F189 L190W17-K218 WeakPolarHBondContact CA-O 3.43Å; E18-K218 HydrophobicContact CB-CG 4.24Å; E18-K218 PolarHBondContact N-O 3.4Å; E18-K218 PolarHBondContact O-N 3.29Å; E18-K218 WeakPolarHBondContact OE1-CE 3.49Å; E18-K218 IonicContact OE1-NZ 2.88Å; E18-K218 PolarHBondContact OE1-NZ 3.36Å; E18-K218 WeakPolarHBondContact OE2-CE 3.37Å; E18-K218 IonicContact OE2-NZ 2.78Å; E18-K218 PolarHBondContact OE2-NZ 3.29Å; F20-K218 HydrophobicContact CB-CB 4.04Å; F20-K218 HydrophobicContact CB-CD 4.37Å; F20-K218 HydrophobicContact CB-CG 4.22Å; F20-K218 HydrophobicContact CD2-CD 3.94Å; F20-K218 HydrophobicContact CG-CB 4.46Å; T188-K218 HydrophobicContact CG2-CB 3.4Å; T188-K218 HydrophobicContact CG2-CD 3.84Å; T188-K218 HydrophobicContact CG2-CG 4.19Å; F189-K218 WeakPolarHBondContact O-CA 3.42Å; L190-K218 HydrophobicContact CD2-CB 3.79Å
219F94Very high84.9Confident7 Ų760 Ų603%0.03132%0.319CS..EExtended strand (participates in β ladder)trans-74.8134.4168.9-179.6-122.6000110.2L10 W17 Y166 M169 F189 P221L10-F219 HydrophobicContact CD1-CE2 4.28Å; L10-F219 HydrophobicContact CD1-CZ 4.32Å; W17-F219 HydrophobicContact CE3-CB 4.15Å; W17-F219 HydrophobicContact CE3-CD2 4.11Å; W17-F219 AromaticContact CH2-CD2 3.73Å; W17-F219 HydrophobicContact CH2-CD2 3.73Å; W17-F219 HydrophobicContact CH2-CE2 4.42Å; W17-F219 HydrophobicContact CH2-CG 4.49Å; W17-F219 HydrophobicContact CZ2-CD2 4.34Å; W17-F219 HydrophobicContact CZ3-CB 3.69Å; W17-F219 AromaticContact CZ3-CD2 3.59Å; W17-F219 HydrophobicContact CZ3-CD2 3.59Å; W17-F219 HydrophobicContact CZ3-CG 4.05Å; Y166-F219 AromaticContact CD1-CD1 3.83Å; Y166-F219 HydrophobicContact CD1-CD1 3.83Å; Y166-F219 AromaticContact CD1-CD2 3.88Å; Y166-F219 HydrophobicContact CD1-CD2 3.88Å; Y166-F219 AromaticContact CD1-CE1 3.87Å; Y166-F219 HydrophobicContact CD1-CE1 3.87Å; Y166-F219 AromaticContact CD1-CE2 3.91Å; Y166-F219 HydrophobicContact CD1-CE2 3.91Å; Y166-F219 AromaticContact CD1-CG 3.83Å; Y166-F219 HydrophobicContact CD1-CG 3.83Å; Y166-F219 AromaticContact CD1-CZ 3.9Å; Y166-F219 HydrophobicContact CD1-CZ 3.9Å; Y166-F219 HydrophobicContact CE1-CB 4.43Å; Y166-F219 HydrophobicContact CE1-CD1 4.49Å; Y166-F219 HydrophobicContact CE1-CD2 4.01Å; Y166-F219 HydrophobicContact CE1-CE2 4.38Å; Y166-F219 HydrophobicContact CE1-CG 4.07Å; M169-F219 HydrophobicContact CB-CD1 4.41Å; F189-F219 HydrophobicContact CB-CB 4.41Å; F189-F219 HydrophobicContact CD1-CB 3.98Å; F189-F219 PolarHBondContact O-N 3.23Å; F219-P221 HydrophobicContact CD1-CG 3.87Å; F219-P221 HydrophobicContact CE1-CB 4Å; F219-P221 HydrophobicContact CE1-CG 3.84Å; F219-P221 WeakPolarHBondContact O-CD 3.23Å
220I91.6Very high86.9Confident33 Ų3353.3 Ų53.317%0.16929%0.286CS..  trans-109.597.7173.8-55.1176000109S16 E18 K222 L223 S224S16-I220 PolarHBondContact O-N 3.33Å; E18-I220 HydrophobicContact CB-CD1 3.66Å; E18-I220 HydrophobicContact CB-CG1 4.42Å; I220-K222 VanDerWaalsContact C-N 3.28Å; I220-K222 HydrophobicContact CG2-CB 4.45Å; I220-K222 PolarHBondContact O-N 3.34Å; I220-L223 HydrophobicContact CB-CB 4.33Å; I220-L223 HydrophobicContact CB-CD1 4.35Å; I220-L223 HydrophobicContact CB-CG 4.42Å; I220-L223 HydrophobicContact CD1-CD1 4.01Å; I220-L223 HydrophobicContact CG2-CB 4.05Å; I220-L223 HydrophobicContact CG2-CD1 3.9Å; I220-L223 HydrophobicContact CG2-CG 3.72Å; I220-L223 PolarHBondContact O-N 3Å; I220-L223 VanDerWaalsContact O-N 3.14Å; I220-S224 PolarHBondContact O-N 2.8Å
221P88.8Confident88.2Confident29 Ų2953.1 Ų53.119%0.18827%0.273CS..G310 helixtrans-57.4-39.3-176.9-23.129.6000113.4M169 F219 L223 S224M169-P221 HydrophobicContact CB-CG 4.25Å; M169-P221 WeakPolarHBondContact O-CG 3.44Å; F219-P221 HydrophobicContact CD1-CG 3.87Å; F219-P221 HydrophobicContact CE1-CB 4Å; F219-P221 HydrophobicContact CE1-CG 3.84Å; F219-P221 WeakPolarHBondContact O-CD 3.23Å; P221-L223 PolarHBondContact O-N 3.48Å; P221-S224 WeakPolarHBondContact O-CB 3.27Å; P221-S224 PolarHBondContact O-N 2.91Å; P221-S224 PolarHBondContact O-OG 3.26Å
222K87.5Confident89.3Confident159 Ų15946.5 Ų46.569%0.69124%0.241SC*.G310 helixtrans-62.6-27.5-178.8-66-179.4-178.7176.50113.8I220I220-K222 VanDerWaalsContact C-N 3.28Å; I220-K222 HydrophobicContact CG2-CB 4.45Å; I220-K222 PolarHBondContact O-N 3.34Å
223L90Very high89.6Confident99 Ų9942.9 Ų42.952%0.51823%0.226SC..G310 helixtrans-100.55.1179.3-58.6-179.7000111.8A15 S16 I220 P221A15-L223 WeakPolarHBondContact O-CB 3.15Å; A15-L223 WeakPolarHBondContact O-CD1 3.19Å; S16-L223 PolarHBondContact OG-O 3.38Å; I220-L223 HydrophobicContact CB-CB 4.33Å; I220-L223 HydrophobicContact CB-CD1 4.35Å; I220-L223 HydrophobicContact CB-CG 4.42Å; I220-L223 HydrophobicContact CD1-CD1 4.01Å; I220-L223 HydrophobicContact CG2-CB 4.05Å; I220-L223 HydrophobicContact CG2-CD1 3.9Å; I220-L223 HydrophobicContact CG2-CG 3.72Å; I220-L223 PolarHBondContact O-N 3Å; I220-L223 VanDerWaalsContact O-N 3.14Å; P221-L223 PolarHBondContact O-N 3.48Å
224S90.2Very high89.7Confident8 Ų841.1 Ų41.16%0.05621%0.211CC..SBendtrans-90.1156.4176.581.50000111.2S16 I220 P221 L226 A227S16-S224 WeakPolarHBondContact OG-CA 3.35Å; I220-S224 PolarHBondContact O-N 2.8Å; P221-S224 WeakPolarHBondContact O-CB 3.27Å; P221-S224 PolarHBondContact O-N 2.91Å; P221-S224 PolarHBondContact O-OG 3.26Å; S224-L226 PolarHBondContact O-N 3.38Å; S224-L226 VanDerWaalsContact O-N 3.11Å; S224-L226 WeakPolarHBondContact OG-CB 3.4Å; S224-L226 PolarHBondContact OG-N 3.28Å; S224-A227 VanDerWaalsContact O-CB 3.26Å; S224-A227 WeakPolarHBondContact O-CB 3.23Å; S224-A227 PolarHBondContact O-N 3.49Å
225I88Confident89.5Confident52 Ų5240.7 Ų40.727%0.26721%0.209SC..G310 helixtrans-59.7-22.9174.5-158.3-179000112.4L10 A227 K228 L273 L277L10-I225 HydrophobicContact CD2-CG2 4.03Å; I225-A227 PolarHBondContact O-N 3.19Å; I225-K228 HydrophobicContact CG1-CD 4.38Å; I225-K228 WeakPolarHBondContact O-CB 3.42Å; I225-K228 PolarHBondContact O-N 3.08Å; I225-L273 HydrophobicContact CG2-CD2 3.82Å; I225-L277 HydrophobicContact CB-CD1 4.38Å; I225-L277 HydrophobicContact CD1-CD1 3.85Å; I225-L277 HydrophobicContact CG1-CD1 3.61Å; I225-L277 HydrophobicContact CG2-CD1 4.25Å; I225-L277 WeakPolarHBondContact O-CD1 3.2Å
226L89.4Confident89.5Confident1 Ų138.7 Ų38.71%0.00520%0.198CC..G310 helixtrans-67.8-20.7176.9-59.6176.2000112.7L6 L10 I167 S224 K228 S229 L234 L237 L273L6-L226 HydrophobicContact CD1-CD2 4.22Å; L10-L226 HydrophobicContact CD1-CD1 4.1Å; L10-L226 HydrophobicContact CD2-CG 4.4Å; I167-L226 HydrophobicContact CD1-CD1 4.02Å; I167-L226 HydrophobicContact CD1-CD2 4.32Å; S224-L226 PolarHBondContact O-N 3.38Å; S224-L226 VanDerWaalsContact O-N 3.11Å; S224-L226 WeakPolarHBondContact OG-CB 3.4Å; S224-L226 PolarHBondContact OG-N 3.28Å; L226-K228 PolarHBondContact O-N 2.99Å; L226-K228 VanDerWaalsContact O-N 3.09Å; L226-S229 PolarHBondContact O-N 2.87Å; L226-S229 VanDerWaalsContact O-N 3.09Å; L226-L234 HydrophobicContact CB-CD2 4.23Å; L226-L234 HydrophobicContact CD2-CD2 4.39Å; L226-L237 HydrophobicContact CD2-CD2 4.2Å; L226-L273 HydrophobicContact CD2-CD1 4.38Å
227A87.2Confident89.3Confident59 Ų5938.6 Ų38.649%0.48820%0.198SC..G310 helixtrans-63.2-14.1176.200000113.7S224 I225 S229S224-A227 VanDerWaalsContact O-CB 3.26Å; S224-A227 WeakPolarHBondContact O-CB 3.23Å; S224-A227 PolarHBondContact O-N 3.49Å; I225-A227 PolarHBondContact O-N 3.19Å; A227-S229 VanDerWaalsContact C-N 3.3Å
228K86.9Confident89.1Confident147 Ų14735.6 Ų35.664%0.63918%0.184SC*.G310 helixtrans-75.3-16.7175.2-63-175.7178.4-1730113.5I225 L226I225-K228 HydrophobicContact CG1-CD 4.38Å; I225-K228 WeakPolarHBondContact O-CB 3.42Å; I225-K228 PolarHBondContact O-N 3.08Å; L226-K228 PolarHBondContact O-N 2.99Å; L226-K228 VanDerWaalsContact O-N 3.09Å
229S87.3Confident88.9Confident9 Ų933.5 Ų33.56%0.06318%0.175CC..SBendtrans-98.6149.1177.9-177.10000110.3L226 A227L226-S229 PolarHBondContact O-N 2.87Å; L226-S229 VanDerWaalsContact O-N 3.09Å; A227-S229 VanDerWaalsContact C-N 3.3Å
230S87.3Confident88.9Confident25 Ų2533.2 Ų33.218%0.17517%0.174CC..  trans-71155.3170.281.40000111.6F232 H233 L234 S285S230-F232 PolarHBondContact O-N 3.13Å; S230-H233 PolarHBondContact O-N 2.96Å; S230-H233 VanDerWaalsContact O-N 3.1Å; S230-H233 PolarHBondContact OG-N 3.32Å; S230-H233 PolarHBondContact OG-ND1 3.03Å; S230-L234 VanDerWaalsContact O-CG 3.32Å; S230-L234 WeakPolarHBondContact O-CG 3.47Å; S230-L234 PolarHBondContact O-N 3.45Å; S230-L234 VanDerWaalsContact O-N 3.12Å; S230-S285 VanDerWaalsContact CB-O 3.22Å; S230-S285 WeakPolarHBondContact CB-O 3.4Å; S230-S285 PolarHBondContact OG-O 2.87Å
231D81.4Confident88.8Confident48 Ų4832.6 Ų32.626%0.25717%0.171SC..THydrogen-bonded Turntrans-58.4-36177.6-59.6-0.3000112.3K171K171-D231 VanDerWaalsContact CB-OD1 3.32Å; K171-D231 WeakPolarHBondContact CB-OD1 3.41Å; K171-D231 WeakPolarHBondContact CB-OD2 3.28Å; K171-D231 WeakPolarHBondContact O-CB 3.35Å; K171-D231 VanDerWaalsContact O-OD1 3.06Å
232F85.3Confident88.8Confident17 Ų1731.3 Ų31.38%0.07516%0.162CC..THydrogen-bonded Turntrans-65.7-39.3177.1176.3-101000111.9S230 P235 S285 I288 L360 K361S230-F232 PolarHBondContact O-N 3.13Å; F232-P235 WeakPolarHBondContact O-CD 3.31Å; F232-S285 WeakPolarHBondContact CB-O 3.41Å; F232-I288 HydrophobicContact CZ-CG2 4.23Å; F232-L360 HydrophobicContact CD2-CB 3.98Å; F232-L360 HydrophobicContact CE1-CD1 4.36Å; F232-L360 HydrophobicContact CE2-CB 3.49Å; F232-L360 VanDerWaalsContact CE2-CB 3.49Å; F232-L360 HydrophobicContact CE2-CD1 4.36Å; F232-L360 HydrophobicContact CZ-CB 3.96Å; F232-L360 HydrophobicContact CZ-CD1 3.95Å; F232-K361 HydrophobicContact CD2-CG 4.49Å; F232-K361 HydrophobicContact CE2-CG 3.94Å
233H89.4Confident88.6Confident5 Ų523.7 Ų23.72%0.02313%0.129CC..THydrogen-bonded Turntrans-84.1-23.4-177-64.4139.5000114.3S230 P235 F236 L237 F280 D284 S287S230-H233 PolarHBondContact O-N 2.96Å; S230-H233 VanDerWaalsContact O-N 3.1Å; S230-H233 PolarHBondContact OG-N 3.32Å; S230-H233 PolarHBondContact OG-ND1 3.03Å; H233-P235 VanDerWaalsContact C-CD 3.43Å; H233-F236 CarbonylContact O-C 3.6Å; H233-F236 WeakPolarHBondContact O-CA 3.25Å; H233-F236 WeakPolarHBondContact O-CB 3.32Å; H233-F236 PolarHBondContact O-N 2.92Å; H233-L237 PolarHBondContact O-N 3.12Å; H233-F280 HydrophobicContact CB-CD1 3.68Å; H233-F280 HydrophobicContact CB-CE1 3.72Å; H233-F280 HydrophobicContact CB-CG 4.41Å; H233-F280 HydrophobicContact CB-CZ 4.47Å; H233-F280 AromaticContact CD2-CE1 3.95Å; H233-F280 AromaticContact CG-CD1 3.6Å; H233-F280 AromaticContact CG-CE1 3.79Å; H233-F280 AromaticContact ND1-CD1 3.8Å; H233-D284 PolarHBondContact CE1-O 3.4Å; H233-D284 VanDerWaalsContact CE1-O 3.24Å; H233-S287 PolarHBondContact NE2-O 3.02Å
234L89.5Confident88Confident2 Ų219.2 Ų19.21%0.0111%0.106CC..Hα-helixtrans-55.2-40.2-173.5-80.2167.4000116.1I167 S170 L226 S230 F236 L237 A238I167-L234 HydrophobicContact CG2-CB 4.35Å; S170-L234 WeakPolarHBondContact OG-CD1 3.2Å; L226-L234 HydrophobicContact CB-CD2 4.23Å; L226-L234 HydrophobicContact CD2-CD2 4.39Å; S230-L234 VanDerWaalsContact O-CG 3.32Å; S230-L234 WeakPolarHBondContact O-CG 3.47Å; S230-L234 PolarHBondContact O-N 3.45Å; S230-L234 VanDerWaalsContact O-N 3.12Å; L234-F236 VanDerWaalsContact C-N 3.3Å; L234-F236 PolarHBondContact O-N 2.86Å; L234-L237 HydrophobicContact CD2-CD2 3.92Å; L234-L237 WeakPolarHBondContact O-CB 3.34Å; L234-L237 PolarHBondContact O-N 2.94Å; L234-A238 PolarHBondContact O-N 2.9Å
235P88.9Confident87.3Confident2 Ų219.9 Ų19.91%0.01311%0.11CC..Hα-helixtrans-67.2-37177-21.537.7000111.3F232 H233 A238 V239 I314 F317 L360F232-P235 WeakPolarHBondContact O-CD 3.31Å; H233-P235 VanDerWaalsContact C-CD 3.43Å; P235-A238 WeakPolarHBondContact O-CB 3.26Å; P235-A238 PolarHBondContact O-N 2.7Å; P235-V239 PolarHBondContact O-N 3.17Å; P235-V239 VanDerWaalsContact O-N 3.16Å; P235-I314 HydrophobicContact CB-CG1 4.45Å; P235-I314 HydrophobicContact CB-CG2 4.11Å; P235-F317 HydrophobicContact CB-CB 4.17Å; P235-F317 HydrophobicContact CB-CD2 4.03Å; P235-F317 HydrophobicContact CB-CG 4.37Å; P235-F317 HydrophobicContact CG-CB 4.43Å; P235-L360 HydrophobicContact CB-CD2 3.97Å; P235-L360 HydrophobicContact CG-CD2 4.27Å
236F91.5Very high86.8Confident2 Ų218.3 Ų18.31%0.00910%0.102CC..Hα-helixtrans-69.5-42.6176.1-173.4-128.1000111H233 L234 A238 V239 L240 F280 P290 L291 V294 M310 I314 L360H233-F236 CarbonylContact O-C 3.6Å; H233-F236 WeakPolarHBondContact O-CA 3.25Å; H233-F236 WeakPolarHBondContact O-CB 3.32Å; H233-F236 PolarHBondContact O-N 2.92Å; L234-F236 VanDerWaalsContact C-N 3.3Å; L234-F236 PolarHBondContact O-N 2.86Å; F236-A238 VanDerWaalsContact C-N 3.27Å; F236-A238 PolarHBondContact O-N 2.9Å; F236-V239 WeakPolarHBondContact O-CA 3.49Å; F236-V239 WeakPolarHBondContact O-CB 3.39Å; F236-V239 PolarHBondContact O-N 3.17Å; F236-L240 HydrophobicContact CD1-CD1 4.1Å; F236-L240 HydrophobicContact CD1-CG 4.45Å; F236-L240 HydrophobicContact CD2-CG 4.48Å; F236-L240 HydrophobicContact CE1-CD1 3.74Å; F236-L240 HydrophobicContact CE1-CD2 4.4Å; F236-L240 HydrophobicContact CE1-CG 4.2Å; F236-L240 HydrophobicContact CE2-CD2 3.97Å; F236-L240 HydrophobicContact CE2-CG 4.24Å; F236-L240 HydrophobicContact CZ-CD1 4.04Å; F236-L240 HydrophobicContact CZ-CD2 3.84Å; F236-L240 HydrophobicContact CZ-CG 4.09Å; F236-L240 WeakPolarHBondContact O-CG 3.25Å; F236-L240 PolarHBondContact O-N 3.33Å; F236-F280 AromaticContact CD1-CE1 3.93Å; F236-F280 HydrophobicContact CD1-CE1 3.93Å; F236-F280 AromaticContact CD1-CZ 3.66Å; F236-F280 HydrophobicContact CD1-CZ 3.66Å; F236-F280 HydrophobicContact CE1-CE1 4.47Å; F236-F280 HydrophobicContact CE1-CZ 4.18Å; F236-P290 HydrophobicContact CE1-CB 4.12Å; F236-L291 HydrophobicContact CD2-CD1 4.36Å; F236-L291 HydrophobicContact CE1-CB 4.38Å; F236-L291 HydrophobicContact CE2-CD1 3.72Å; F236-L291 HydrophobicContact CZ-CB 4.34Å; F236-L291 HydrophobicContact CZ-CD1 3.89Å; F236-V294 HydrophobicContact CE1-CG2 4.31Å; F236-V294 HydrophobicContact CZ-CB 3.97Å; F236-V294 HydrophobicContact CZ-CG1 4.26Å; F236-V294 HydrophobicContact CZ-CG2 3.87Å; F236-M310 HydrophobicContact CE2-CE 4.24Å; F236-M310 HydrophobicContact CE2-SD 4.04Å; F236-I314 HydrophobicContact CD2-CD1 4.42Å; F236-L360 HydrophobicContact CB-CD2 4.09Å
237L92.3Very high86.1Confident0 Ų021.1 Ų21.10%012%0.121CC..Hα-helixtrans-53.3-45.2170.8174.968.2000111.3L226 H233 L234 V239 L240 L241 L273 L276 L277 F280L226-L237 HydrophobicContact CD2-CD2 4.2Å; H233-L237 PolarHBondContact O-N 3.12Å; L234-L237 HydrophobicContact CD2-CD2 3.92Å; L234-L237 WeakPolarHBondContact O-CB 3.34Å; L234-L237 PolarHBondContact O-N 2.94Å; L237-V239 VanDerWaalsContact C-N 3.31Å; L237-V239 PolarHBondContact O-N 3.02Å; L237-L240 PolarHBondContact O-N 3.48Å; L237-L241 HydrophobicContact CD1-CD1 4.49Å; L237-L241 HydrophobicContact CD1-CG 4.32Å; L237-L241 HydrophobicContact CG-CD1 4.15Å; L237-L241 HydrophobicContact CG-CG 4.42Å; L237-L241 WeakPolarHBondContact O-CB 3.26Å; L237-L241 VanDerWaalsContact O-CG 3.31Å; L237-L241 WeakPolarHBondContact O-CG 3.31Å; L237-L241 PolarHBondContact O-N 3.41Å; L237-L273 HydrophobicContact CD1-CD1 4.42Å; L237-L273 HydrophobicContact CD2-CD1 4.25Å; L237-L276 HydrophobicContact CD1-CB 3.6Å; L237-L276 HydrophobicContact CD1-CD1 4.04Å; L237-L276 HydrophobicContact CD1-CG 4.42Å; L237-L277 HydrophobicContact CD2-CD2 3.66Å; L237-L277 HydrophobicContact CD2-CG 4.48Å; L237-F280 HydrophobicContact CB-CD2 4.45Å; L237-F280 HydrophobicContact CB-CE2 3.88Å; L237-F280 HydrophobicContact CB-CZ 4.39Å; L237-F280 HydrophobicContact CD1-CD2 3.9Å; L237-F280 HydrophobicContact CD1-CE2 3.65Å; L237-F280 HydrophobicContact CG-CE2 4.36Å
238A90.7Very high85.6Confident0 Ų025 Ų250%013%0.134CC..Hα-helixtrans-60.7-39.2177.300000112.5V3 I167 L234 P235 F236 G242 F317V3-A238 HydrophobicContact CG2-CB 3.87Å; I167-A238 HydrophobicContact CD1-CB 4.23Å; I167-A238 HydrophobicContact CG1-CB 4.01Å; I167-A238 HydrophobicContact CG2-CB 4.25Å; L234-A238 PolarHBondContact O-N 2.9Å; P235-A238 WeakPolarHBondContact O-CB 3.26Å; P235-A238 PolarHBondContact O-N 2.7Å; F236-A238 VanDerWaalsContact C-N 3.27Å; F236-A238 PolarHBondContact O-N 2.9Å; A238-G242 PolarHBondContact O-N 2.91Å; A238-F317 HydrophobicContact CB-CD2 4.44Å; A238-F317 HydrophobicContact CB-CE1 4.33Å; A238-F317 HydrophobicContact CB-CE2 3.55Å; A238-F317 HydrophobicContact CB-CZ 3.49Å; A238-F317 VanDerWaalsContact CB-CZ 3.49Å
239V90.7Very high85.7Confident0 Ų018.5 Ų18.50%011%0.106CC..Hα-helixtrans-65-43.3172.8167.10000111.9P235 F236 L237 G242 I246 V249 M310 I314P235-V239 PolarHBondContact O-N 3.17Å; P235-V239 VanDerWaalsContact O-N 3.16Å; F236-V239 WeakPolarHBondContact O-CA 3.49Å; F236-V239 WeakPolarHBondContact O-CB 3.39Å; F236-V239 PolarHBondContact O-N 3.17Å; L237-V239 VanDerWaalsContact C-N 3.31Å; L237-V239 PolarHBondContact O-N 3.02Å; V239-G242 PolarHBondContact O-N 3.28Å; V239-I246 HydrophobicContact CG1-CD1 3.78Å; V239-I246 HydrophobicContact CG2-CD1 4.37Å; V239-V249 HydrophobicContact CG1-CG2 4.05Å; V239-M310 HydrophobicContact CG1-CG 4.25Å; V239-I314 HydrophobicContact CG2-CG1 4Å
240L92.5Very high85.8Confident0 Ų024 Ų240%013%0.125CC..Hα-helixtrans-69-33.8179.2-64.1-173.5000113.4F236 L237 G242 V249 L251 R272 L276 W279 F280 V294F236-L240 HydrophobicContact CD1-CD1 4.1Å; F236-L240 HydrophobicContact CD1-CG 4.45Å; F236-L240 HydrophobicContact CD2-CG 4.48Å; F236-L240 HydrophobicContact CE1-CD1 3.74Å; F236-L240 HydrophobicContact CE1-CD2 4.4Å; F236-L240 HydrophobicContact CE1-CG 4.2Å; F236-L240 HydrophobicContact CE2-CD2 3.97Å; F236-L240 HydrophobicContact CE2-CG 4.24Å; F236-L240 HydrophobicContact CZ-CD1 4.04Å; F236-L240 HydrophobicContact CZ-CD2 3.84Å; F236-L240 HydrophobicContact CZ-CG 4.09Å; F236-L240 WeakPolarHBondContact O-CG 3.25Å; F236-L240 PolarHBondContact O-N 3.33Å; L237-L240 PolarHBondContact O-N 3.48Å; L240-G242 PolarHBondContact O-N 2.94Å; L240-V249 HydrophobicContact CD2-CB 4.04Å; L240-V249 HydrophobicContact CD2-CG1 3.65Å; L240-V249 HydrophobicContact CD2-CG2 4.47Å; L240-L251 HydrophobicContact CB-CD2 4.42Å; L240-L251 HydrophobicContact CD1-CD2 4.45Å; L240-L251 HydrophobicContact CD2-CD2 4.17Å; L240-R272 PolarHBondContact O-NE 3.49Å; L240-R272 VanDerWaalsContact O-NE 3.15Å; L240-R272 PolarHBondContact O-NH2 3.31Å; L240-L276 HydrophobicContact CB-CD1 3.99Å; L240-L276 HydrophobicContact CB-CD2 4.23Å; L240-L276 HydrophobicContact CD1-CD2 4.03Å; L240-W279 HydrophobicContact CD1-CZ3 3.83Å; L240-F280 HydrophobicContact CD1-CE2 3.96Å; L240-F280 HydrophobicContact CD1-CZ 3.75Å; L240-V294 HydrophobicContact CD1-CG2 4.34Å; L240-V294 HydrophobicContact CD2-CG1 4.03Å; L240-V294 HydrophobicContact CD2-CG2 4.01Å
241L90Very high86Confident21 Ų2123 Ų2311%0.1112%0.118CC..Hα-helixtrans-62.7-33.7172.4-76.3171.3000111.9V3 L237 L273 L276V3-L241 HydrophobicContact CG1-CB 3.88Å; V3-L241 HydrophobicContact CG1-CD1 3.89Å; L237-L241 HydrophobicContact CD1-CD1 4.49Å; L237-L241 HydrophobicContact CD1-CG 4.32Å; L237-L241 HydrophobicContact CG-CD1 4.15Å; L237-L241 HydrophobicContact CG-CG 4.42Å; L237-L241 WeakPolarHBondContact O-CB 3.26Å; L237-L241 VanDerWaalsContact O-CG 3.31Å; L237-L241 WeakPolarHBondContact O-CG 3.31Å; L237-L241 PolarHBondContact O-N 3.41Å; L241-L273 HydrophobicContact CD1-CD1 3.85Å; L241-L273 HydrophobicContact CD2-CB 3.87Å; L241-L273 HydrophobicContact CD2-CD1 3.89Å; L241-L273 HydrophobicContact CD2-CG 4.48Å; L241-L273 HydrophobicContact CG-CD1 4.37Å; L241-L276 HydrophobicContact CD2-CD1 3.87Å; L241-L276 HydrophobicContact CG-CD1 4.16Å
242G88Confident86.6Confident1 Ų121.7 Ų21.71%0.0111%0.112CC..  trans109.8127.3-177.500000111.3L4 A238 V239 L240 I246L4-G242 PolarHBondContact N-O 2.83Å; A238-G242 PolarHBondContact O-N 2.91Å; V239-G242 PolarHBondContact O-N 3.28Å; L240-G242 PolarHBondContact O-N 2.94Å; G242-I246 CarbonylContact C-O 3.48Å; G242-I246 VanDerWaalsContact CA-O 3.26Å; G242-I246 WeakPolarHBondContact CA-O 3.21Å
243T84.8Confident86.9Confident0 Ų026.9 Ų26.90%014%0.14CC..  trans-110.3174.8170.865.20000109.8V245 I246T243-V245 PolarHBondContact O-N 3.09Å; T243-V245 PolarHBondContact OG1-N 3.01Å; T243-I246 PolarHBondContact N-O 2.81Å; T243-I246 CarbonylContact O-C 3.27Å; T243-I246 PolarHBondContact O-N 3.21Å; T243-I246 PolarHBondContact OG1-N 3.3Å; T243-I246 PolarHBondContact OG1-O 2.99Å
244D75.9Confident87Confident5 Ų533 Ų333%0.02717%0.169CC..SBendtrans-68.9-12.1169.453.5-10000113.5M1 H86 Y89 R316M1-D244 WeakPolarHBondContact CA-OD2 3.28Å; M1-D244 WeakPolarHBondContact CB-OD2 3.34Å; M1-D244 VanDerWaalsContact CG-OD2 3.24Å; M1-D244 WeakPolarHBondContact CG-OD2 3.29Å; H86-D244 IonicContact CE1-OD1 2.65Å; H86-D244 PolarHBondContact CE1-OD1 3.32Å; H86-D244 IonicContact CE1-OD2 2.73Å; H86-D244 PolarHBondContact ND1-O 3.25Å; H86-D244 IonicContact ND1-OD1 2.9Å; H86-D244 IonicContact ND1-OD2 2.88Å; Y89-D244 WeakPolarHBondContact CB-O 3.34Å; Y89-D244 HydrophobicContact CD1-CB 3.61Å; Y89-D244 HydrophobicContact CD2-CB 4.28Å; Y89-D244 HydrophobicContact CE1-CB 3.72Å; Y89-D244 HydrophobicContact CE2-CB 4.37Å; Y89-D244 HydrophobicContact CG-CB 3.91Å; D244-R316 IonicContact OD1-CZ 2.87Å; D244-R316 IonicContact OD1-NH1 2.71Å; D244-R316 PolarHBondContact OD1-NH1 3.44Å; D244-R316 IonicContact OD1-NH2 2.8Å; D244-R316 IonicContact OD2-NH1 3.72Å
245V75.6Confident87.1Confident22 Ų2233 Ų3313%0.13317%0.169CC..SBendtrans-87.4-50.8170.7-169.20000109.8K85 H86 T243 H312K85-V245 HydrophobicContact CB-CG1 3.76Å; K85-V245 HydrophobicContact CD-CG1 4.05Å; H86-V245 WeakPolarHBondContact CE1-CG2 3.47Å; H86-V245 PolarHBondContact CE1-N 3.43Å; H86-V245 PolarHBondContact ND1-N 2.92Å; T243-V245 PolarHBondContact O-N 3.09Å; T243-V245 PolarHBondContact OG1-N 3.01Å; V245-H312 WeakPolarHBondContact CG1-CD2 3.4Å
246I78Confident87.2Confident19 Ų1936.3 Ų36.310%0.09718%0.184CC..  trans-127.2104.8-168.8-50.9162.2000107.2V239 G242 T243 V249 D309V239-I246 HydrophobicContact CG1-CD1 3.78Å; V239-I246 HydrophobicContact CG2-CD1 4.37Å; G242-I246 CarbonylContact C-O 3.48Å; G242-I246 VanDerWaalsContact CA-O 3.26Å; G242-I246 WeakPolarHBondContact CA-O 3.21Å; T243-I246 PolarHBondContact N-O 2.81Å; T243-I246 CarbonylContact O-C 3.27Å; T243-I246 PolarHBondContact O-N 3.21Å; T243-I246 PolarHBondContact OG1-N 3.3Å; T243-I246 PolarHBondContact OG1-O 2.99Å; I246-V249 HydrophobicContact CG2-CG2 3.3Å; I246-D309 HydrophobicContact CD1-CB 4.16Å; I246-D309 WeakPolarHBondContact CD1-O 3.38Å; I246-D309 HydrophobicContact CG1-CB 4.1Å
247S75.3Confident87.1Confident60 Ų6042.1 Ų42.142%0.4221%0.212SC..  trans-102.1-22.8-177.345.40000114
248N76.9Confident87Confident141 Ų14145.7 Ų45.775%0.75423%0.227SC*.  trans-130.959.6-167.8-68.8-20.9000112R250N248-R250 PolarHBondContact O-N 3.21Å
249V87.5Confident86.8Confident9 Ų946.4 Ų46.46%0.05523%0.231CC..PPolyproline II helixtrans-70.5126.7168-170.70000108.8V239 L240 I246 L251 V294 Y298 M310V239-V249 HydrophobicContact CG1-CG2 4.05Å; L240-V249 HydrophobicContact CD2-CB 4.04Å; L240-V249 HydrophobicContact CD2-CG1 3.65Å; L240-V249 HydrophobicContact CD2-CG2 4.47Å; I246-V249 HydrophobicContact CG2-CG2 3.3Å; V249-L251 PolarHBondContact O-N 2.78Å; V249-V294 HydrophobicContact CG1-CG1 3.4Å; V249-Y298 WeakPolarHBondContact CA-OH 3.27Å; V249-M310 HydrophobicContact CG1-CE 3.93Å
250R89.8Confident86.5Confident124 Ų12452.9 Ų52.947%0.46826%0.261SS..PPolyproline II helixtrans-64.3130.3173.1-69.6-179-179.7-176.6-0.1108.3N248 C297 Y298N248-R250 PolarHBondContact O-N 3.21Å; R250-C297 HydrophobicContact CB-CB 3.91Å; R250-C297 PolarHBondContact NH1-O 3.45Å; R250-Y298 HydrophobicContact CB-CE1 4.42Å; R250-Y298 HydrophobicContact CB-CE2 3.82Å; R250-Y298 HydrophobicContact CG-CE1 3.96Å; R250-Y298 HydrophobicContact CG-CE2 4.26Å; R250-Y298 PolarHBondContact N-OH 3.03Å
251L92.7Very high85.9Confident5 Ų557.7 Ų57.73%0.02629%0.29CS..PPolyproline II helixtrans-96155.8173.6-60.5-176.7000109.3L240 V249 L255 Q256 L259 L276L240-L251 HydrophobicContact CB-CD2 4.42Å; L240-L251 HydrophobicContact CD1-CD2 4.45Å; L240-L251 HydrophobicContact CD2-CD2 4.17Å; V249-L251 PolarHBondContact O-N 2.78Å; L251-L255 HydrophobicContact CB-CB 4.08Å; L251-L255 HydrophobicContact CB-CD1 4.32Å; L251-L255 HydrophobicContact CD1-CB 4.34Å; L251-Q256 HydrophobicContact CB-CG 4.38Å; L251-Q256 PolarHBondContact O-NE2 3.22Å; L251-L259 HydrophobicContact CD1-CD1 3.87Å; L251-L276 HydrophobicContact CD1-CD2 4.05Å; L251-L276 HydrophobicContact CD2-CD2 3.95Å
252P94.2Very high84.2Confident20 Ų2063.1 Ų63.113%0.1332%0.32CS..PPolyproline II helixtrans-50148.1168.7-28.736.1000112.4E254 L255 Q256 W279 D293P252-E254 VanDerWaalsContact C-N 3.28Å; P252-E254 PolarHBondContact O-N 2.91Å; P252-L255 WeakPolarHBondContact O-CB 3.3Å; P252-L255 PolarHBondContact O-N 3.09Å; P252-Q256 PolarHBondContact O-N 3.21Å; P252-Q256 VanDerWaalsContact O-N 3.16Å; P252-W279 HydrophobicContact CG-CH2 4.44Å; P252-W279 HydrophobicContact CG-CZ2 4.01Å; P252-D293 HydrophobicContact CG-CB 3.96Å
253L91.2Very high82.7Confident126 Ų12671.1 Ų71.166%0.6636%0.362SS*.Hα-helixtrans-54-43.2-174.1-72.6171.7000112.4L255 Q256 E257L253-L255 PolarHBondContact O-N 3.45Å; L253-Q256 WeakPolarHBondContact O-CA 3.34Å; L253-Q256 WeakPolarHBondContact O-CB 3.24Å; L253-Q256 PolarHBondContact O-N 3.43Å; L253-E257 WeakPolarHBondContact O-CG 3.35Å; L253-E257 PolarHBondContact O-N 3.38Å
254E91Very high81.7Confident133 Ų13373.8 Ų73.862%0.62138%0.381SS*.Hα-helixtrans-54.5-38.5177.2-60.4176.3-173.100112.8P252 K258P252-E254 VanDerWaalsContact C-N 3.28Å; P252-E254 PolarHBondContact O-N 2.91Å; E254-K258 WeakPolarHBondContact O-CG 3.46Å; E254-K258 PolarHBondContact O-N 3.44Å; E254-K258 VanDerWaalsContact O-N 3.13Å
255L92.2Very high81.6Confident3 Ų381 Ų812%0.01643%0.425CS..Hα-helixtrans-76.3-34.1177.4-56.6-173.5000111.8L251 P252 L253 E257 K258 L259 V275 L276 W279L251-L255 HydrophobicContact CB-CB 4.08Å; L251-L255 HydrophobicContact CB-CD1 4.32Å; L251-L255 HydrophobicContact CD1-CB 4.34Å; P252-L255 WeakPolarHBondContact O-CB 3.3Å; P252-L255 PolarHBondContact O-N 3.09Å; L253-L255 PolarHBondContact O-N 3.45Å; L255-E257 VanDerWaalsContact C-N 3.32Å; L255-K258 PolarHBondContact O-N 2.81Å; L255-L259 WeakPolarHBondContact O-CB 3.34Å; L255-L259 VanDerWaalsContact O-CG 3.22Å; L255-L259 WeakPolarHBondContact O-CG 3.4Å; L255-L259 PolarHBondContact O-N 2.85Å; L255-V275 HydrophobicContact CB-CG1 4.3Å; L255-V275 HydrophobicContact CD2-CG1 3.95Å; L255-L276 HydrophobicContact CD1-CD2 4.25Å; L255-W279 HydrophobicContact CD1-CB 4.21Å; L255-W279 HydrophobicContact CD1-CD2 3.5Å; L255-W279 HydrophobicContact CD1-CE3 3.73Å; L255-W279 HydrophobicContact CD1-CG 3.74Å; L255-W279 HydrophobicContact CD1-CZ2 4.43Å; L255-W279 HydrophobicContact CD1-CZ3 4.27Å; L255-W279 HydrophobicContact CD2-CB 3.72Å; L255-W279 HydrophobicContact CD2-CD2 4.34Å; L255-W279 HydrophobicContact CD2-CG 3.66Å; L255-W279 HydrophobicContact CG-CD2 4.4Å; L255-W279 HydrophobicContact CG-CG 4.23Å
256Q90.4Very high81.7Confident72 Ų7284.1 Ų84.134%0.33644%0.44SS..Hα-helixtrans-63.4-42.1174.9-60.8-173.928.700110.6L251 P252 L253 L259 Q260L251-Q256 HydrophobicContact CB-CG 4.38Å; L251-Q256 PolarHBondContact O-NE2 3.22Å; P252-Q256 PolarHBondContact O-N 3.21Å; P252-Q256 VanDerWaalsContact O-N 3.16Å; L253-Q256 WeakPolarHBondContact O-CA 3.34Å; L253-Q256 WeakPolarHBondContact O-CB 3.24Å; L253-Q256 PolarHBondContact O-N 3.43Å; Q256-L259 WeakPolarHBondContact O-CB 3.25Å; Q256-L259 PolarHBondContact O-N 3.32Å; Q256-Q260 WeakPolarHBondContact O-CG 3.35Å; Q256-Q260 PolarHBondContact O-N 2.99Å
257E90.3Very high82Confident124 Ų12489.2 Ų89.258%0.57946%0.462SS*.Hα-helixtrans-62.9-48.1175.9-69.8174.4176.800111.6L253 L255 L259 Q260 T261L253-E257 WeakPolarHBondContact O-CG 3.35Å; L253-E257 PolarHBondContact O-N 3.38Å; L255-E257 VanDerWaalsContact C-N 3.32Å; E257-L259 PolarHBondContact O-N 2.9Å; E257-Q260 WeakPolarHBondContact O-CA 3.36Å; E257-Q260 PolarHBondContact O-N 3.24Å; E257-T261 PolarHBondContact O-N 3.16Å
258K88.4Confident82.5Confident75 Ų7592.6 Ų92.633%0.32647%0.466SS..Hα-helixtrans-58-31.4173.2-75.4-174176.8-171.30113.2E254 L255 Q260 T261 V275 E278E254-K258 WeakPolarHBondContact O-CG 3.46Å; E254-K258 PolarHBondContact O-N 3.44Å; E254-K258 VanDerWaalsContact O-N 3.13Å; L255-K258 PolarHBondContact O-N 2.81Å; K258-Q260 VanDerWaalsContact C-N 3.34Å; K258-T261 PolarHBondContact O-OG1 3.14Å; K258-V275 HydrophobicContact CB-CG1 4.18Å; K258-V275 HydrophobicContact CB-CG2 4.34Å; K258-V275 HydrophobicContact CD-CG1 4.47Å; K258-E278 IonicContact NZ-OE1 3.89Å; K258-E278 PolarHBondContact NZ-OE1 3.4Å
259L87.8Confident82.8Confident14 Ų1487.7 Ų87.77%0.07345%0.445CS..Hα-helixtrans-77.1-19.6174.3-70.3172.9000113.1L251 L255 Q256 E257 R271 R272 V275L251-L259 HydrophobicContact CD1-CD1 3.87Å; L255-L259 WeakPolarHBondContact O-CB 3.34Å; L255-L259 VanDerWaalsContact O-CG 3.22Å; L255-L259 WeakPolarHBondContact O-CG 3.4Å; L255-L259 PolarHBondContact O-N 2.85Å; Q256-L259 WeakPolarHBondContact O-CB 3.25Å; Q256-L259 PolarHBondContact O-N 3.32Å; E257-L259 PolarHBondContact O-N 2.9Å; L259-R271 HydrophobicContact CD2-CG 4.19Å; L259-R271 PolarHBondContact O-NE 3.43Å; L259-R271 PolarHBondContact O-NH1 2.82Å; L259-R271 PolarHBondContact O-NH2 2.88Å; L259-R272 HydrophobicContact CD2-CB 4.26Å; L259-V275 HydrophobicContact CD2-CB 4.15Å; L259-V275 HydrophobicContact CD2-CG1 4.46Å; L259-V275 HydrophobicContact CD2-CG2 3.94Å; L259-V275 HydrophobicContact CG-CG1 4.43Å
260Q84.3Confident82.8Confident137 Ų13788.8 Ų88.864%0.6445%0.45SS*.Hα-helixtrans-92.2-25.3178.2-71.8177.919.300113.1Q256 E257 K258 N262Q256-Q260 WeakPolarHBondContact O-CG 3.35Å; Q256-Q260 PolarHBondContact O-N 2.99Å; E257-Q260 WeakPolarHBondContact O-CA 3.36Å; E257-Q260 PolarHBondContact O-N 3.24Å; K258-Q260 VanDerWaalsContact C-N 3.34Å; Q260-N262 PolarHBondContact O-N 3.24Å
261T78.7Confident82.7Confident100 Ų10085.3 Ų85.361%0.61344%0.437SS*.  trans-58.5111.4177.250.20000110.7E257 K258E257-T261 PolarHBondContact O-N 3.16Å; K258-T261 PolarHBondContact O-OG1 3.14Å
262N55.9Low82.6Confident136 Ų13686.3 Ų86.373%0.72744%0.44SS*.  trans-83.8141.4-172.1-86.2-29.5000112.7Q260Q260-N262 PolarHBondContact O-N 3.24Å
263N56.6Low82.4Confident168 Ų16885.4 Ų85.490%0.89843%0.434SS*.  trans144.729.6154-77.5-12.2000114.4
264S63.6Low82.4Confident57 Ų5782.1 Ų82.140%0.39942%0.421SS..  trans-109.1138.2174.763.50000112.7I266S264-I266 PolarHBondContact O-N 2.99Å; S264-I266 VanDerWaalsContact O-N 3.16Å
265T74.3Confident82.4Confident155 Ų15576.4 Ų76.495%0.95140%0.396SS*.SBendtrans-67.50.9167.145.30000113
266I77.7Confident82.5Confident88 Ų8876.3 Ų76.345%0.45140%0.395SS..SBendtrans-85.9137.8-171.1-60.2174.1000109.9S264 Q270S264-I266 PolarHBondContact O-N 2.99Å; S264-I266 VanDerWaalsContact O-N 3.16Å; I266-Q270 HydrophobicContact CG2-CB 3.41Å; I266-Q270 VanDerWaalsContact CG2-CB 3.41Å; I266-Q270 HydrophobicContact CG2-CG 4.42Å
267K84Confident82.6Confident126 Ų12673.2 Ų73.255%0.54838%0.381SS..  trans-63.2144.8178.3-63.2169.1-171.3157.10110.7E12 A269 Q270 R271E12-K267 IonicContact OE1-NZ 2.74Å; E12-K267 PolarHBondContact OE1-NZ 3.2Å; K267-A269 VanDerWaalsContact C-N 3.27Å; K267-A269 PolarHBondContact O-N 3.04Å; K267-A269 VanDerWaalsContact O-N 3.1Å; K267-Q270 WeakPolarHBondContact O-CB 3.37Å; K267-Q270 PolarHBondContact O-N 2.87Å; K267-R271 PolarHBondContact O-N 3.43Å; K267-R271 VanDerWaalsContact O-N 3.11Å
268Y85Confident82.7Confident132 Ų13272 Ų7252%0.51838%0.375SS..Hα-helixtrans-48.8-43.1-178.9176.4-96000114.1Q270 R271 R272Y268-Q270 PolarHBondContact O-N 3.37Å; Y268-R271 PolarHBondContact O-N 3.4Å; Y268-R272 WeakPolarHBondContact O-CB 3.41Å; Y268-R272 PolarHBondContact O-N 2.92Å; Y268-R272 PolarHBondContact OH-NH1 2.86Å
269A84.2Confident83Confident38 Ų3868.7 Ų68.731%0.31436%0.361SS..Hα-helixtrans-64-39-179.400000112.9I9 K267 R272 L273I9-A269 HydrophobicContact CD1-CB 4.15Å; K267-A269 VanDerWaalsContact C-N 3.27Å; K267-A269 PolarHBondContact O-N 3.04Å; K267-A269 VanDerWaalsContact O-N 3.1Å; A269-R272 PolarHBondContact O-N 2.54Å; A269-L273 PolarHBondContact O-N 3.15Å
270Q87.5Confident83.2Confident31 Ų3168.2 Ų68.215%0.14536%0.358CS..Hα-helixtrans-66.1-47.2175.5-72.6173.8-42.200110.8I9 E12 I266 K267 Y268 R272 L273 S274I9-Q270 HydrophobicContact CB-CG 4.26Å; I9-Q270 HydrophobicContact CD1-CG 4.1Å; I9-Q270 HydrophobicContact CG1-CG 3.59Å; I9-Q270 HydrophobicContact CG2-CG 3.96Å; E12-Q270 VanDerWaalsContact CD-NE2 3.34Å; E12-Q270 PolarHBondContact OE2-NE2 3.07Å; I266-Q270 HydrophobicContact CG2-CB 3.41Å; I266-Q270 VanDerWaalsContact CG2-CB 3.41Å; I266-Q270 HydrophobicContact CG2-CG 4.42Å; K267-Q270 WeakPolarHBondContact O-CB 3.37Å; K267-Q270 PolarHBondContact O-N 2.87Å; Y268-Q270 PolarHBondContact O-N 3.37Å; Q270-R272 VanDerWaalsContact C-N 3.31Å; Q270-R272 PolarHBondContact O-N 3.21Å; Q270-L273 PolarHBondContact O-N 3.25Å; Q270-S274 PolarHBondContact O-N 3.37Å; Q270-S274 PolarHBondContact O-OG 3.37Å
271R87Confident83.5Confident52 Ų5265.5 Ų65.520%0.19635%0.354CS..Hα-helixtrans-57.5-45.3175.5-174.9177.164.4-173.81.3111.3L259 K267 Y268 L273 S274 V275L259-R271 HydrophobicContact CD2-CG 4.19Å; L259-R271 PolarHBondContact O-NE 3.43Å; L259-R271 PolarHBondContact O-NH1 2.82Å; L259-R271 PolarHBondContact O-NH2 2.88Å; K267-R271 PolarHBondContact O-N 3.43Å; K267-R271 VanDerWaalsContact O-N 3.11Å; Y268-R271 PolarHBondContact O-N 3.4Å; R271-L273 PolarHBondContact O-N 2.89Å; R271-S274 PolarHBondContact O-N 3.35Å; R271-V275 HydrophobicContact CG-CG2 4.42Å; R271-V275 WeakPolarHBondContact O-CG2 3.49Å; R271-V275 PolarHBondContact O-N 2.74Å
272R89.8Confident84.2Confident25 Ų2566.1 Ų66.19%0.09435%0.35CS..Hα-helixtrans-59.1-45.5177.2-171.8177.5-17985.2-1.8112L240 L259 Y268 A269 Q270 L276L240-R272 PolarHBondContact O-NE 3.49Å; L240-R272 VanDerWaalsContact O-NE 3.15Å; L240-R272 PolarHBondContact O-NH2 3.31Å; L259-R272 HydrophobicContact CD2-CB 4.26Å; Y268-R272 WeakPolarHBondContact O-CB 3.41Å; Y268-R272 PolarHBondContact O-N 2.92Å; Y268-R272 PolarHBondContact OH-NH1 2.86Å; A269-R272 PolarHBondContact O-N 2.54Å; Q270-R272 VanDerWaalsContact C-N 3.31Å; Q270-R272 PolarHBondContact O-N 3.21Å; R272-L276 HydrophobicContact CG-CD1 4.06Å; R272-L276 WeakPolarHBondContact O-CB 3.34Å; R272-L276 VanDerWaalsContact O-CG 3.27Å; R272-L276 WeakPolarHBondContact O-CG 3.13Å; R272-L276 PolarHBondContact O-N 3.16Å; R272-L276 VanDerWaalsContact O-N 3.08Å
273L90.9Very high86Confident1 Ų161.2 Ų61.21%0.00532%0.322CS..Hα-helixtrans-62-46.7175.8177.862000112L6 I9 I225 L226 L237 L241 A269 Q270 R271 L276 L277L6-L273 HydrophobicContact CD1-CD2 4.25Å; I9-L273 HydrophobicContact CD1-CB 4.22Å; I9-L273 HydrophobicContact CD1-CD2 4.01Å; I9-L273 HydrophobicContact CG2-CD2 3.89Å; I225-L273 HydrophobicContact CG2-CD2 3.82Å; L226-L273 HydrophobicContact CD2-CD1 4.38Å; L237-L273 HydrophobicContact CD1-CD1 4.42Å; L237-L273 HydrophobicContact CD2-CD1 4.25Å; L241-L273 HydrophobicContact CD1-CD1 3.85Å; L241-L273 HydrophobicContact CD2-CB 3.87Å; L241-L273 HydrophobicContact CD2-CD1 3.89Å; L241-L273 HydrophobicContact CD2-CG 4.48Å; L241-L273 HydrophobicContact CG-CD1 4.37Å; A269-L273 PolarHBondContact O-N 3.15Å; Q270-L273 PolarHBondContact O-N 3.25Å; R271-L273 PolarHBondContact O-N 2.89Å; L273-L276 PolarHBondContact O-N 2.75Å; L273-L277 HydrophobicContact CD1-CD1 3.84Å; L273-L277 HydrophobicContact CD1-CG 3.94Å; L273-L277 HydrophobicContact CG-CD1 3.87Å; L273-L277 HydrophobicContact CG-CG 4.35Å; L273-L277 WeakPolarHBondContact O-CB 3.42Å; L273-L277 VanDerWaalsContact O-CG 3.31Å; L273-L277 WeakPolarHBondContact O-CG 3.37Å; L273-L277 PolarHBondContact O-N 3.28Å
274S90Very high87.6Confident57 Ų5759.5 Ų59.540%0.39931%0.313SS..Hα-helixtrans-60.4-46.9179.7-63.20000112.4Q270 R271 L276 L277 E278Q270-S274 PolarHBondContact O-N 3.37Å; Q270-S274 PolarHBondContact O-OG 3.37Å; R271-S274 PolarHBondContact O-N 3.35Å; S274-L276 VanDerWaalsContact C-N 3.35Å; S274-L276 PolarHBondContact O-N 2.86Å; S274-L277 PolarHBondContact O-N 3.36Å; S274-E278 WeakPolarHBondContact O-CB 3.45Å; S274-E278 PolarHBondContact O-N 3.15Å
275V92.2Very high88.7Confident13 Ų1360.2 Ų60.28%0.07932%0.319CS..Hα-helixtrans-61.6-42.9177.9169.90000111.2L255 K258 L259 R271 W279L255-V275 HydrophobicContact CB-CG1 4.3Å; L255-V275 HydrophobicContact CD2-CG1 3.95Å; K258-V275 HydrophobicContact CB-CG1 4.18Å; K258-V275 HydrophobicContact CB-CG2 4.34Å; K258-V275 HydrophobicContact CD-CG1 4.47Å; L259-V275 HydrophobicContact CD2-CB 4.15Å; L259-V275 HydrophobicContact CD2-CG1 4.46Å; L259-V275 HydrophobicContact CD2-CG2 3.94Å; L259-V275 HydrophobicContact CG-CG1 4.43Å; R271-V275 HydrophobicContact CG-CG2 4.42Å; R271-V275 WeakPolarHBondContact O-CG2 3.49Å; R271-V275 PolarHBondContact O-N 2.74Å; V275-W279 WeakPolarHBondContact O-CB 3.3Å; V275-W279 PolarHBondContact O-N 3.21Å
276L93.9Very high89.3Confident1 Ų157.7 Ų57.71%0.00530%0.299CS..Hα-helixtrans-65.9-43.3177.8-72.4170.8000111.8L237 L240 L241 L251 L255 R272 L273 S274 W279 F280L237-L276 HydrophobicContact CD1-CB 3.6Å; L237-L276 HydrophobicContact CD1-CD1 4.04Å; L237-L276 HydrophobicContact CD1-CG 4.42Å; L240-L276 HydrophobicContact CB-CD1 3.99Å; L240-L276 HydrophobicContact CB-CD2 4.23Å; L240-L276 HydrophobicContact CD1-CD2 4.03Å; L241-L276 HydrophobicContact CD2-CD1 3.87Å; L241-L276 HydrophobicContact CG-CD1 4.16Å; L251-L276 HydrophobicContact CD1-CD2 4.05Å; L251-L276 HydrophobicContact CD2-CD2 3.95Å; L255-L276 HydrophobicContact CD1-CD2 4.25Å; R272-L276 HydrophobicContact CG-CD1 4.06Å; R272-L276 WeakPolarHBondContact O-CB 3.34Å; R272-L276 VanDerWaalsContact O-CG 3.27Å; R272-L276 WeakPolarHBondContact O-CG 3.13Å; R272-L276 PolarHBondContact O-N 3.16Å; R272-L276 VanDerWaalsContact O-N 3.08Å; L273-L276 PolarHBondContact O-N 2.75Å; S274-L276 VanDerWaalsContact C-N 3.35Å; S274-L276 PolarHBondContact O-N 2.86Å; L276-W279 HydrophobicContact CD2-CE3 4.3Å; L276-W279 PolarHBondContact O-N 3.14Å; L276-F280 WeakPolarHBondContact O-CD2 3.39Å; L276-F280 PolarHBondContact O-N 3.39Å
277L92.4Very high89.9Confident7 Ų754.8 Ų54.84%0.03729%0.287CS..Hα-helixtrans-65.4-40.4178.4-72.4174.5000112.4I225 L237 L273 S274 W279 F280 S281I225-L277 HydrophobicContact CB-CD1 4.38Å; I225-L277 HydrophobicContact CD1-CD1 3.85Å; I225-L277 HydrophobicContact CG1-CD1 3.61Å; I225-L277 HydrophobicContact CG2-CD1 4.25Å; I225-L277 WeakPolarHBondContact O-CD1 3.2Å; L237-L277 HydrophobicContact CD2-CD2 3.66Å; L237-L277 HydrophobicContact CD2-CG 4.48Å; L273-L277 HydrophobicContact CD1-CD1 3.84Å; L273-L277 HydrophobicContact CD1-CG 3.94Å; L273-L277 HydrophobicContact CG-CD1 3.87Å; L273-L277 HydrophobicContact CG-CG 4.35Å; L273-L277 WeakPolarHBondContact O-CB 3.42Å; L273-L277 VanDerWaalsContact O-CG 3.31Å; L273-L277 WeakPolarHBondContact O-CG 3.37Å; L273-L277 PolarHBondContact O-N 3.28Å; S274-L277 PolarHBondContact O-N 3.36Å; L277-W279 VanDerWaalsContact C-N 3.32Å; L277-F280 PolarHBondContact O-N 3.45Å; L277-S281 PolarHBondContact O-N 3.05Å; L277-S281 VanDerWaalsContact O-N 3.08Å
278E92.5Very high90.3Very high98 Ų9851.6 Ų51.646%0.45828%0.275SS..Hα-helixtrans-61-43.9173-173.9-167.1137.800110.7K258 S274 S281K258-E278 IonicContact NZ-OE1 3.89Å; K258-E278 PolarHBondContact NZ-OE1 3.4Å; S274-E278 WeakPolarHBondContact O-CB 3.45Å; S274-E278 PolarHBondContact O-N 3.15Å; E278-S281 PolarHBondContact O-N 2.97Å; E278-S281 PolarHBondContact O-OG 3.06Å
279W94.2Very high90.7Very high6 Ų650.4 Ų50.42%0.02327%0.273CS..Hα-helixtrans-63-49176.5-179.859.6000112.3L240 P252 L255 V275 L276 L277 S281 Q282 F283 P290 D293 V294L240-W279 HydrophobicContact CD1-CZ3 3.83Å; P252-W279 HydrophobicContact CG-CH2 4.44Å; P252-W279 HydrophobicContact CG-CZ2 4.01Å; L255-W279 HydrophobicContact CD1-CB 4.21Å; L255-W279 HydrophobicContact CD1-CD2 3.5Å; L255-W279 HydrophobicContact CD1-CE3 3.73Å; L255-W279 HydrophobicContact CD1-CG 3.74Å; L255-W279 HydrophobicContact CD1-CZ2 4.43Å; L255-W279 HydrophobicContact CD1-CZ3 4.27Å; L255-W279 HydrophobicContact CD2-CB 3.72Å; L255-W279 HydrophobicContact CD2-CD2 4.34Å; L255-W279 HydrophobicContact CD2-CG 3.66Å; L255-W279 HydrophobicContact CG-CD2 4.4Å; L255-W279 HydrophobicContact CG-CG 4.23Å; V275-W279 WeakPolarHBondContact O-CB 3.3Å; V275-W279 PolarHBondContact O-N 3.21Å; L276-W279 HydrophobicContact CD2-CE3 4.3Å; L276-W279 PolarHBondContact O-N 3.14Å; L277-W279 VanDerWaalsContact C-N 3.32Å; W279-S281 PolarHBondContact O-N 3.07Å; W279-Q282 WeakPolarHBondContact O-CB 3.43Å; W279-Q282 WeakPolarHBondContact O-CG 3.49Å; W279-Q282 PolarHBondContact O-N 3.48Å; W279-Q282 VanDerWaalsContact O-N 3.07Å; W279-F283 AromaticContact CD1-CE2 3.79Å; W279-F283 AromaticContact CD2-CE2 3.95Å; W279-F283 HydrophobicContact CD2-CE2 3.95Å; W279-F283 AromaticContact CE2-CE2 3.63Å; W279-F283 AromaticContact CE2-CZ 3.75Å; W279-F283 HydrophobicContact CG-CE2 4.09Å; W279-F283 HydrophobicContact CZ2-CE2 4.14Å; W279-F283 HydrophobicContact CZ2-CZ 4.01Å; W279-F283 AromaticContact NE1-CE2 3.52Å; W279-F283 AromaticContact NE1-CZ 3.5Å; W279-F283 WeakPolarHBondContact O-CD2 3.41Å; W279-F283 WeakPolarHBondContact O-CE2 3.5Å; W279-P290 HydrophobicContact CH2-CB 3.59Å; W279-P290 WeakPolarHBondContact CH2-O 3.27Å; W279-P290 HydrophobicContact CZ2-CB 4.15Å; W279-P290 HydrophobicContact CZ3-CB 3.94Å; W279-D293 HydrophobicContact CZ2-CB 4.09Å; W279-V294 HydrophobicContact CH2-CG2 3.93Å; W279-V294 HydrophobicContact CZ3-CG2 4.49Å
280F92.7Very high91.2Very high4 Ų448.7 Ų48.72%0.01826%0.258CS..Hα-helixtrans-58.7-30.9176.6-83.1-68.2000113H233 F236 L237 L240 L276 L277 Q282 F283 P290H233-F280 HydrophobicContact CB-CD1 3.68Å; H233-F280 HydrophobicContact CB-CE1 3.72Å; H233-F280 HydrophobicContact CB-CG 4.41Å; H233-F280 HydrophobicContact CB-CZ 4.47Å; H233-F280 AromaticContact CD2-CE1 3.95Å; H233-F280 AromaticContact CG-CD1 3.6Å; H233-F280 AromaticContact CG-CE1 3.79Å; H233-F280 AromaticContact ND1-CD1 3.8Å; F236-F280 AromaticContact CD1-CE1 3.93Å; F236-F280 HydrophobicContact CD1-CE1 3.93Å; F236-F280 AromaticContact CD1-CZ 3.66Å; F236-F280 HydrophobicContact CD1-CZ 3.66Å; F236-F280 HydrophobicContact CE1-CE1 4.47Å; F236-F280 HydrophobicContact CE1-CZ 4.18Å; L237-F280 HydrophobicContact CB-CD2 4.45Å; L237-F280 HydrophobicContact CB-CE2 3.88Å; L237-F280 HydrophobicContact CB-CZ 4.39Å; L237-F280 HydrophobicContact CD1-CD2 3.9Å; L237-F280 HydrophobicContact CD1-CE2 3.65Å; L237-F280 HydrophobicContact CG-CE2 4.36Å; L240-F280 HydrophobicContact CD1-CE2 3.96Å; L240-F280 HydrophobicContact CD1-CZ 3.75Å; L276-F280 WeakPolarHBondContact O-CD2 3.39Å; L276-F280 PolarHBondContact O-N 3.39Å; L277-F280 PolarHBondContact O-N 3.45Å; F280-Q282 PolarHBondContact O-N 3.13Å; F280-Q282 VanDerWaalsContact O-N 3.16Å; F280-F283 PolarHBondContact O-N 2.77Å; F280-P290 HydrophobicContact CD1-CB 4.27Å; F280-P290 HydrophobicContact CD1-CG 4.17Å; F280-P290 HydrophobicContact CE1-CB 3.71Å; F280-P290 HydrophobicContact CE1-CG 4.07Å
281S91.4Very high91.5Very high80 Ų8047.4 Ų47.456%0.55925%0.252SS*.THydrogen-bonded Turntrans-66.7-12.2178.676.20000114.6L277 E278 W279 F283L277-S281 PolarHBondContact O-N 3.05Å; L277-S281 VanDerWaalsContact O-N 3.08Å; E278-S281 PolarHBondContact O-N 2.97Å; E278-S281 PolarHBondContact O-OG 3.06Å; W279-S281 PolarHBondContact O-N 3.07Å; S281-F283 VanDerWaalsContact C-N 3.3Å
282Q92.8Very high91.8Very high114 Ų11448.9 Ų48.953%0.53326%0.261SS..THydrogen-bonded Turntrans-82.5-8177.7-58175.2-1.300113.2W279 F280W279-Q282 WeakPolarHBondContact O-CB 3.43Å; W279-Q282 WeakPolarHBondContact O-CG 3.49Å; W279-Q282 PolarHBondContact O-N 3.48Å; W279-Q282 VanDerWaalsContact O-N 3.07Å; F280-Q282 PolarHBondContact O-N 3.13Å; F280-Q282 VanDerWaalsContact O-N 3.16Å
283F92.5Very high92Very high32 Ų3250 Ų5014%0.1427%0.269CS..SBendtrans-116.1152.8-173.9-53.9-88.3000111.7W279 F280 S281 K289 P290W279-F283 AromaticContact CD1-CE2 3.79Å; W279-F283 AromaticContact CD2-CE2 3.95Å; W279-F283 HydrophobicContact CD2-CE2 3.95Å; W279-F283 AromaticContact CE2-CE2 3.63Å; W279-F283 AromaticContact CE2-CZ 3.75Å; W279-F283 HydrophobicContact CG-CE2 4.09Å; W279-F283 HydrophobicContact CZ2-CE2 4.14Å; W279-F283 HydrophobicContact CZ2-CZ 4.01Å; W279-F283 AromaticContact NE1-CE2 3.52Å; W279-F283 AromaticContact NE1-CZ 3.5Å; W279-F283 WeakPolarHBondContact O-CD2 3.41Å; W279-F283 WeakPolarHBondContact O-CE2 3.5Å; F280-F283 PolarHBondContact O-N 2.77Å; S281-F283 VanDerWaalsContact C-N 3.3Å; F283-K289 HydrophobicContact CD1-CB 3.98Å; F283-K289 HydrophobicContact CD1-CD 4.12Å; F283-K289 HydrophobicContact CD1-CG 4.22Å; F283-K289 HydrophobicContact CE1-CB 3.93Å; F283-K289 HydrophobicContact CE1-CD 3.67Å; F283-K289 HydrophobicContact CE1-CG 3.7Å; F283-P290 HydrophobicContact CB-CG 4.25Å; F283-P290 HydrophobicContact CD1-CG 3.94Å; F283-P290 HydrophobicContact CD2-CG 3.6Å; F283-P290 HydrophobicContact CE1-CG 4.1Å; F283-P290 HydrophobicContact CE2-CG 3.78Å; F283-P290 HydrophobicContact CG-CG 3.66Å; F283-P290 HydrophobicContact CZ-CG 4.02Å
284D91.7Very high92.2Very high132 Ų13249.9 Ų49.971%0.70627%0.269SS*.  trans-60.3152.3171.3-61.9-41.9000111.5H233 N286 S287H233-D284 PolarHBondContact CE1-O 3.4Å; H233-D284 VanDerWaalsContact CE1-O 3.24Å; D284-N286 PolarHBondContact O-N 3.22Å; D284-S287 VanDerWaalsContact O-CB 3.28Å; D284-S287 WeakPolarHBondContact O-CB 3.25Å; D284-S287 PolarHBondContact O-N 3.23Å
285S86.3Confident92.3Very high73 Ų7347.7 Ų47.751%0.5125%0.252SS..THydrogen-bonded Turntrans-54.7-26.6-17256.80000115.1S230 F232S230-S285 VanDerWaalsContact CB-O 3.22Å; S230-S285 WeakPolarHBondContact CB-O 3.4Å; S230-S285 PolarHBondContact OG-O 2.87Å; F232-S285 WeakPolarHBondContact CB-O 3.41Å
286N86.4Confident92.4Very high101 Ų10151.4 Ų51.454%0.5427%0.272SS..THydrogen-bonded Turntrans-116.916.4178.4-63.4-34.5000113.3D284 I288D284-N286 PolarHBondContact O-N 3.22Å; N286-I288 PolarHBondContact O-N 2.93Å
287S91.6Very high92.5Very high28 Ų2853.1 Ų53.120%0.19628%0.283CS..  trans-66132.8-177.3-175.50000111.7H233 D284 K289H233-S287 PolarHBondContact NE2-O 3.02Å; D284-S287 VanDerWaalsContact O-CB 3.28Å; D284-S287 WeakPolarHBondContact O-CB 3.25Å; D284-S287 PolarHBondContact O-N 3.23Å; S287-K289 PolarHBondContact OG-N 3.05Å
288I91.9Very high92.5Very high59 Ų5953.5 Ų53.530%0.30328%0.284SS..  trans-86.7-10.1174.363.2170000112.9F232 N286 P290 L291 E292 I357F232-I288 HydrophobicContact CZ-CG2 4.23Å; N286-I288 PolarHBondContact O-N 2.93Å; I288-P290 VanDerWaalsContact C-CD 3.45Å; I288-L291 WeakPolarHBondContact O-CA 3.45Å; I288-L291 VanDerWaalsContact O-CB 3.26Å; I288-L291 WeakPolarHBondContact O-CB 3.17Å; I288-L291 PolarHBondContact O-N 2.84Å; I288-E292 PolarHBondContact O-N 3.02Å; I288-I357 HydrophobicContact CB-CD1 4.46Å; I288-I357 HydrophobicContact CD1-CD1 4.13Å; I288-I357 HydrophobicContact CG2-CD1 3.96Å; I288-I357 HydrophobicContact CG2-CG1 3.99Å; I288-I357 HydrophobicContact CG2-CG2 4.48Å
289K93.7Very high92.5Very high107 Ų10751.5 Ų51.547%0.46528%0.28SS..Hα-helixtrans-54.5-40.7-176.5-175.4173.3170.7-1740114F283 S287 L291 E292 D293F283-K289 HydrophobicContact CD1-CB 3.98Å; F283-K289 HydrophobicContact CD1-CD 4.12Å; F283-K289 HydrophobicContact CD1-CG 4.22Å; F283-K289 HydrophobicContact CE1-CB 3.93Å; F283-K289 HydrophobicContact CE1-CD 3.67Å; F283-K289 HydrophobicContact CE1-CG 3.7Å; S287-K289 PolarHBondContact OG-N 3.05Å; K289-L291 PolarHBondContact O-N 2.84Å; K289-E292 PolarHBondContact O-N 3.44Å; K289-E292 VanDerWaalsContact O-N 3.13Å; K289-D293 VanDerWaalsContact O-CG 3.27Å; K289-D293 PolarHBondContact O-N 3.4Å
290P93.9Very high92.4Very high1 Ų156 Ų561%0.00631%0.307CS..Hα-helixtrans-57.3-34.8174-26.435.7000113.6F236 W279 F280 F283 I288 V294F236-P290 HydrophobicContact CE1-CB 4.12Å; W279-P290 HydrophobicContact CH2-CB 3.59Å; W279-P290 WeakPolarHBondContact CH2-O 3.27Å; W279-P290 HydrophobicContact CZ2-CB 4.15Å; W279-P290 HydrophobicContact CZ3-CB 3.94Å; F280-P290 HydrophobicContact CD1-CB 4.27Å; F280-P290 HydrophobicContact CD1-CG 4.17Å; F280-P290 HydrophobicContact CE1-CB 3.71Å; F280-P290 HydrophobicContact CE1-CG 4.07Å; F283-P290 HydrophobicContact CB-CG 4.25Å; F283-P290 HydrophobicContact CD1-CG 3.94Å; F283-P290 HydrophobicContact CD2-CG 3.6Å; F283-P290 HydrophobicContact CE1-CG 4.1Å; F283-P290 HydrophobicContact CE2-CG 3.78Å; F283-P290 HydrophobicContact CG-CG 3.66Å; F283-P290 HydrophobicContact CZ-CG 4.02Å; I288-P290 VanDerWaalsContact C-CD 3.45Å; P290-V294 VanDerWaalsContact O-CG2 3.23Å; P290-V294 WeakPolarHBondContact O-CG2 3.45Å; P290-V294 PolarHBondContact O-N 3.09Å
291L93.3Very high92.4Very high4 Ų463.3 Ų63.32%0.02134%0.342CS..Hα-helixtrans-69.9-45.7176.817664.9000110.6F236 I288 K289 V294 I295 M310 V353 V356 I357F236-L291 HydrophobicContact CD2-CD1 4.36Å; F236-L291 HydrophobicContact CE1-CB 4.38Å; F236-L291 HydrophobicContact CE2-CD1 3.72Å; F236-L291 HydrophobicContact CZ-CB 4.34Å; F236-L291 HydrophobicContact CZ-CD1 3.89Å; I288-L291 WeakPolarHBondContact O-CA 3.45Å; I288-L291 VanDerWaalsContact O-CB 3.26Å; I288-L291 WeakPolarHBondContact O-CB 3.17Å; I288-L291 PolarHBondContact O-N 2.84Å; K289-L291 PolarHBondContact O-N 2.84Å; L291-V294 PolarHBondContact O-N 2.78Å; L291-I295 HydrophobicContact CD1-CD1 3.85Å; L291-I295 HydrophobicContact CD1-CG1 4.24Å; L291-I295 HydrophobicContact CG-CD1 3.83Å; L291-I295 VanDerWaalsContact O-CG1 3.3Å; L291-I295 WeakPolarHBondContact O-CG1 3.32Å; L291-I295 PolarHBondContact O-N 2.99Å; L291-M310 HydrophobicContact CD1-SD 3.85Å; L291-V353 HydrophobicContact CD2-CG1 3.9Å; L291-V356 HydrophobicContact CD1-CG1 3.84Å; L291-V356 HydrophobicContact CD2-CB 3.92Å; L291-V356 HydrophobicContact CD2-CG1 3.57Å; L291-V356 HydrophobicContact CG-CG1 4.37Å; L291-I357 HydrophobicContact CD2-CG1 4.1Å
292E93.4Very high92.3Very high84 Ų8463.7 Ų63.739%0.39334%0.335SS..Hα-helixtrans-60.4-46.7177.7-64176.5148.100111.5I288 K289 V294 I295 N296I288-E292 PolarHBondContact O-N 3.02Å; K289-E292 PolarHBondContact O-N 3.44Å; K289-E292 VanDerWaalsContact O-N 3.13Å; E292-V294 VanDerWaalsContact C-N 3.28Å; E292-V294 PolarHBondContact O-N 3.48Å; E292-I295 PolarHBondContact O-N 2.97Å; E292-N296 VanDerWaalsContact O-CB 3.3Å; E292-N296 WeakPolarHBondContact O-CB 3.5Å; E292-N296 PolarHBondContact O-N 3.05Å; E292-N296 PolarHBondContact O-ND2 2.88Å; E292-N296 VanDerWaalsContact O-ND2 3.1Å
293D94.8Very high92.2Very high47 Ų4761.8 Ų61.825%0.25132%0.323SS..Hα-helixtrans-57.3-42.6178.6-70.6-17.7000111.5P252 W279 K289 C297P252-D293 HydrophobicContact CG-CB 3.96Å; W279-D293 HydrophobicContact CZ2-CB 4.09Å; K289-D293 VanDerWaalsContact O-CG 3.27Å; K289-D293 PolarHBondContact O-N 3.4Å; D293-C297 PolarHBondContact O-N 3.47Å; D293-C297 PolarHBondContact O-SG 3.44Å
294V94.6Very high92Very high0 Ų063.9 Ų63.90%034%0.338CS..Hα-helixtrans-71.4-42.2178.3174.70000111.5F236 L240 V249 W279 P290 L291 E292 N296 C297 Y298 M310F236-V294 HydrophobicContact CE1-CG2 4.31Å; F236-V294 HydrophobicContact CZ-CB 3.97Å; F236-V294 HydrophobicContact CZ-CG1 4.26Å; F236-V294 HydrophobicContact CZ-CG2 3.87Å; L240-V294 HydrophobicContact CD1-CG2 4.34Å; L240-V294 HydrophobicContact CD2-CG1 4.03Å; L240-V294 HydrophobicContact CD2-CG2 4.01Å; V249-V294 HydrophobicContact CG1-CG1 3.4Å; W279-V294 HydrophobicContact CH2-CG2 3.93Å; W279-V294 HydrophobicContact CZ3-CG2 4.49Å; P290-V294 VanDerWaalsContact O-CG2 3.23Å; P290-V294 WeakPolarHBondContact O-CG2 3.45Å; P290-V294 PolarHBondContact O-N 3.09Å; L291-V294 PolarHBondContact O-N 2.78Å; E292-V294 VanDerWaalsContact C-N 3.28Å; E292-V294 PolarHBondContact O-N 3.48Å; V294-N296 VanDerWaalsContact C-N 3.27Å; V294-N296 PolarHBondContact O-N 3.46Å; V294-C297 VanDerWaalsContact O-CB 3.29Å; V294-C297 WeakPolarHBondContact O-CB 3.35Å; V294-C297 PolarHBondContact O-N 3.25Å; V294-Y298 WeakPolarHBondContact O-CD2 3.44Å; V294-M310 HydrophobicContact CB-CE 4.38Å; V294-M310 HydrophobicContact CG1-CE 3.37Å
295I92.9Very high91.7Very high10 Ų1061.1 Ų61.15%0.05133%0.329CS..Hα-helixtrans-62.8-38.3176.8-70173000110.5L291 E292 C297 Y298 R303 I307 M310 V353L291-I295 HydrophobicContact CD1-CD1 3.85Å; L291-I295 HydrophobicContact CD1-CG1 4.24Å; L291-I295 HydrophobicContact CG-CD1 3.83Å; L291-I295 VanDerWaalsContact O-CG1 3.3Å; L291-I295 WeakPolarHBondContact O-CG1 3.32Å; L291-I295 PolarHBondContact O-N 2.99Å; E292-I295 PolarHBondContact O-N 2.97Å; I295-C297 PolarHBondContact O-N 2.97Å; I295-Y298 PolarHBondContact O-N 2.89Å; I295-Y298 VanDerWaalsContact O-N 3.1Å; I295-R303 HydrophobicContact CG2-CB 4.34Å; I295-R303 HydrophobicContact CG2-CG 3.97Å; I295-I307 HydrophobicContact CD1-CD1 4.18Å; I295-I307 HydrophobicContact CD1-CG1 3.91Å; I295-I307 HydrophobicContact CG1-CG1 4.32Å; I295-M310 HydrophobicContact CG1-SD 4.41Å; I295-V353 HydrophobicContact CD1-CG1 4.24Å; I295-V353 HydrophobicContact CD1-CG2 3.81Å
296N94.2Very high91.8Very high92 Ų9259 Ų5949%0.49231%0.312SS..Hα-helixtrans-67.9-15.3178.3-74.4-33.6000113.8E292 V294 Y298 R303E292-N296 VanDerWaalsContact O-CB 3.3Å; E292-N296 WeakPolarHBondContact O-CB 3.5Å; E292-N296 PolarHBondContact O-N 3.05Å; E292-N296 PolarHBondContact O-ND2 2.88Å; E292-N296 VanDerWaalsContact O-ND2 3.1Å; V294-N296 VanDerWaalsContact C-N 3.27Å; V294-N296 PolarHBondContact O-N 3.46Å; N296-Y298 PolarHBondContact O-N 3.04Å; N296-R303 PolarHBondContact OD1-NH2 2.98Å
297C94.5Very high91.9Very high36 Ų3654.6 Ų54.624%0.24329%0.288CS..THydrogen-bonded Turntrans-69.8-6.3170.8-63.90000113.7R250 D293 V294 I295R250-C297 HydrophobicContact CB-CB 3.91Å; R250-C297 PolarHBondContact NH1-O 3.45Å; D293-C297 PolarHBondContact O-N 3.47Å; D293-C297 PolarHBondContact O-SG 3.44Å; V294-C297 VanDerWaalsContact O-CB 3.29Å; V294-C297 WeakPolarHBondContact O-CB 3.35Å; V294-C297 PolarHBondContact O-N 3.25Å; I295-C297 PolarHBondContact O-N 2.97Å
298Y93.5Very high91.6Very high15 Ų1555.2 Ų55.26%0.05929%0.289CS..SBendtrans-116.1142-178.8-66.2-90.8000112.3V249 R250 V294 I295 N296 R303 I306V249-Y298 WeakPolarHBondContact CA-OH 3.27Å; R250-Y298 HydrophobicContact CB-CE1 4.42Å; R250-Y298 HydrophobicContact CB-CE2 3.82Å; R250-Y298 HydrophobicContact CG-CE1 3.96Å; R250-Y298 HydrophobicContact CG-CE2 4.26Å; R250-Y298 PolarHBondContact N-OH 3.03Å; V294-Y298 WeakPolarHBondContact O-CD2 3.44Å; I295-Y298 PolarHBondContact O-N 2.89Å; I295-Y298 VanDerWaalsContact O-N 3.1Å; N296-Y298 PolarHBondContact O-N 3.04Å; Y298-R303 PolarHBondContact O-NE 3.36Å; Y298-I306 HydrophobicContact CD1-CD1 4.13Å; Y298-I306 HydrophobicContact CD1-CG1 3.7Å; Y298-I306 HydrophobicContact CD2-CG1 4.24Å; Y298-I306 HydrophobicContact CD2-CG2 4.12Å; Y298-I306 HydrophobicContact CE1-CD1 3.59Å; Y298-I306 HydrophobicContact CE1-CG1 3.68Å; Y298-I306 HydrophobicContact CE2-CD1 4.49Å; Y298-I306 HydrophobicContact CE2-CG1 4.25Å; Y298-I306 HydrophobicContact CE2-CG2 3.9Å; Y298-I306 HydrophobicContact CG-CG1 3.96Å
299P93.3Very high91.2Very high56 Ų5654.7 Ų54.736%0.36429%0.287SS..  trans-55.5149.3169.7-2333.9000111.7E301 Q302 R303P299-E301 WeakPolarHBondContact CB-OE2 3.41Å; P299-E301 PolarHBondContact O-N 2.89Å; P299-E301 VanDerWaalsContact O-N 3.12Å; P299-Q302 PolarHBondContact O-N 3.14Å; P299-R303 WeakPolarHBondContact O-CG 3.18Å; P299-R303 PolarHBondContact O-N 2.89Å
300V91.7Very high90.9Very high100 Ų10049.7 Ų49.761%0.60627%0.265SS*.Hα-helixtrans-54.4-37.1-174.2177.50000111.8Q302 R303V300-Q302 PolarHBondContact O-N 2.92Å; V300-R303 PolarHBondContact O-N 3.34Å
301E91.5Very high90.4Very high159 Ų15949.6 Ų49.674%0.74327%0.265SS*.Hα-helixtrans-67.5-24.5-178.6-45.579.1-168.300112.7P299P299-E301 WeakPolarHBondContact CB-OE2 3.41Å; P299-E301 PolarHBondContact O-N 2.89Å; P299-E301 VanDerWaalsContact O-N 3.12Å
302Q89.6Confident89.8Confident88 Ų8849.4 Ų49.441%0.41126%0.264SS..Hα-helixtrans-95.3-15.2-178.8-63.3-177.411.800113.1P299 V300 T304 S305 I306P299-Q302 PolarHBondContact O-N 3.14Å; V300-Q302 PolarHBondContact O-N 2.92Å; Q302-T304 PolarHBondContact O-N 3.28Å; Q302-S305 PolarHBondContact O-N 2.78Å; Q302-S305 VanDerWaalsContact O-N 3.14Å; Q302-I306 PolarHBondContact O-N 2.54Å; Q302-I306 VanDerWaalsContact O-N 3.09Å
303R90.7Very high89.4Confident74 Ų7445.4 Ų45.428%0.27925%0.245SC..Hα-helixtrans-57.7-47.7-172.4-70.4-179.8-176.6-166-7112.2I295 N296 Y298 P299 V300 S305 I306 I307I295-R303 HydrophobicContact CG2-CB 4.34Å; I295-R303 HydrophobicContact CG2-CG 3.97Å; N296-R303 PolarHBondContact OD1-NH2 2.98Å; Y298-R303 PolarHBondContact O-NE 3.36Å; P299-R303 WeakPolarHBondContact O-CG 3.18Å; P299-R303 PolarHBondContact O-N 2.89Å; V300-R303 PolarHBondContact O-N 3.34Å; R303-S305 VanDerWaalsContact C-N 3.29Å; R303-S305 PolarHBondContact O-N 3.44Å; R303-I306 PolarHBondContact O-N 3.47Å; R303-I307 HydrophobicContact CB-CD1 4.46Å; R303-I307 WeakPolarHBondContact O-CB 3.41Å; R303-I307 WeakPolarHBondContact O-CG1 3.46Å; R303-I307 PolarHBondContact O-N 2.84Å
304T88.4Confident88.9Confident76 Ų7643.2 Ų43.247%0.46623%0.233SC..Hα-helixtrans-59.8-38.3179.4-49.60000112.5Q302 N308Q302-T304 PolarHBondContact O-N 3.28Å; T304-N308 WeakPolarHBondContact O-CB 3.47Å; T304-N308 PolarHBondContact O-N 3Å; T304-N308 PolarHBondContact O-ND2 2.97Å
305S85.6Confident88.3Confident73 Ų7343.2 Ų43.251%0.5123%0.233SC..Hα-helixtrans-66-46.5177-173.60000111.3Q302 R303 N308 D309Q302-S305 PolarHBondContact O-N 2.78Å; Q302-S305 VanDerWaalsContact O-N 3.14Å; R303-S305 VanDerWaalsContact C-N 3.29Å; R303-S305 PolarHBondContact O-N 3.44Å; S305-N308 PolarHBondContact O-N 3.28Å; S305-D309 PolarHBondContact O-N 3.11Å
306I87.7Confident87.7Confident30 Ų3043 Ų4315%0.15423%0.232CC..Hα-helixtrans-67-39.8-179.6-66.6-62.2000111.3Y298 Q302 R303 D309 M310Y298-I306 HydrophobicContact CD1-CD1 4.13Å; Y298-I306 HydrophobicContact CD1-CG1 3.7Å; Y298-I306 HydrophobicContact CD2-CG1 4.24Å; Y298-I306 HydrophobicContact CD2-CG2 4.12Å; Y298-I306 HydrophobicContact CE1-CD1 3.59Å; Y298-I306 HydrophobicContact CE1-CG1 3.68Å; Y298-I306 HydrophobicContact CE2-CD1 4.49Å; Y298-I306 HydrophobicContact CE2-CG1 4.25Å; Y298-I306 HydrophobicContact CE2-CG2 3.9Å; Y298-I306 HydrophobicContact CG-CG1 3.96Å; Q302-I306 PolarHBondContact O-N 2.54Å; Q302-I306 VanDerWaalsContact O-N 3.09Å; R303-I306 PolarHBondContact O-N 3.47Å; I306-D309 WeakPolarHBondContact O-CB 3.37Å; I306-D309 PolarHBondContact O-N 3.17Å; I306-M310 HydrophobicContact CG2-CE 3.55Å; I306-M310 HydrophobicContact CG2-CG 4.43Å; I306-M310 HydrophobicContact CG2-SD 4.25Å; I306-M310 WeakPolarHBondContact O-CG 3.41Å; I306-M310 PolarHBondContact O-N 2.9Å
307I89.1Confident87.2Confident8 Ų838.6 Ų38.64%0.04121%0.209CC..Hα-helixtrans-58.9-49.3173.7-72.7166.6000110.1I295 R303 D309 M310 I311 G351 S352 V353 V356I295-I307 HydrophobicContact CD1-CD1 4.18Å; I295-I307 HydrophobicContact CD1-CG1 3.91Å; I295-I307 HydrophobicContact CG1-CG1 4.32Å; R303-I307 HydrophobicContact CB-CD1 4.46Å; R303-I307 WeakPolarHBondContact O-CB 3.41Å; R303-I307 WeakPolarHBondContact O-CG1 3.46Å; R303-I307 PolarHBondContact O-N 2.84Å; I307-D309 PolarHBondContact O-N 2.85Å; I307-M310 WeakPolarHBondContact O-CB 3.14Å; I307-M310 PolarHBondContact O-N 3.19Å; I307-M310 VanDerWaalsContact O-N 3.11Å; I307-I311 HydrophobicContact CG2-CD1 3.86Å; I307-I311 HydrophobicContact CG2-CG1 4.32Å; I307-I311 VanDerWaalsContact O-CG1 3.3Å; I307-I311 WeakPolarHBondContact O-CG1 3.47Å; I307-I311 PolarHBondContact O-N 3.32Å; I307-G351 VanDerWaalsContact CG2-C 3.49Å; I307-G351 VanDerWaalsContact CG2-O 3.31Å; I307-G351 WeakPolarHBondContact CG2-O 3.32Å; I307-S352 VanDerWaalsContact CG2-O 3.29Å; I307-S352 WeakPolarHBondContact CG2-O 3.3Å; I307-V353 HydrophobicContact CD1-CG2 3.94Å; I307-V356 HydrophobicContact CG2-CG2 3.76Å
308N85.1Confident86.5Confident40 Ų4037 Ų3721%0.21420%0.197CC..Hα-helixtrans-61.6-31176.8-79.2-47.4000113.5K85 T304 S305 H312 S349 G351 L368K85-N308 PolarHBondContact NZ-O 3.14Å; T304-N308 WeakPolarHBondContact O-CB 3.47Å; T304-N308 PolarHBondContact O-N 3Å; T304-N308 PolarHBondContact O-ND2 2.97Å; S305-N308 PolarHBondContact O-N 3.28Å; N308-H312 WeakPolarHBondContact O-CB 3.5Å; N308-H312 PolarHBondContact O-N 2.94Å; N308-S349 PolarHBondContact OD1-OG 3.44Å; N308-G351 WeakPolarHBondContact OD1-CA 3.38Å; N308-L368 HydrophobicContact CB-CD1 4.13Å; N308-L368 VanDerWaalsContact O-CD1 3.24Å; N308-L368 WeakPolarHBondContact O-CD1 3.48Å
309D84.2Confident85.8Confident49 Ų4936.8 Ų36.826%0.26220%0.198SC..Hα-helixtrans-70.1-49.8171.7-75.7-16.7000110.5K85 I246 S305 I306 I307 I311 H312 G313K85-D309 IonicContact NZ-OD1 3.42Å; K85-D309 PolarHBondContact NZ-OD1 3.01Å; I246-D309 HydrophobicContact CD1-CB 4.16Å; I246-D309 WeakPolarHBondContact CD1-O 3.38Å; I246-D309 HydrophobicContact CG1-CB 4.1Å; S305-D309 PolarHBondContact O-N 3.11Å; I306-D309 WeakPolarHBondContact O-CB 3.37Å; I306-D309 PolarHBondContact O-N 3.17Å; I307-D309 PolarHBondContact O-N 2.85Å; D309-I311 PolarHBondContact O-N 2.81Å; D309-H312 CarbonylContact O-C 3.59Å; D309-H312 WeakPolarHBondContact O-CA 3.45Å; D309-H312 WeakPolarHBondContact O-CB 3.45Å; D309-H312 PolarHBondContact O-N 3.47Å; D309-G313 PolarHBondContact O-N 3.27Å
310M86.8Confident85.1Confident1 Ų134.3 Ų34.31%0.00518%0.182CC..Hα-helixtrans-56-46.2176.2-71.5176-178.900112.8F236 V239 V249 L291 V294 I295 I306 I307 H312 G313 I314F236-M310 HydrophobicContact CE2-CE 4.24Å; F236-M310 HydrophobicContact CE2-SD 4.04Å; V239-M310 HydrophobicContact CG1-CG 4.25Å; V249-M310 HydrophobicContact CG1-CE 3.93Å; L291-M310 HydrophobicContact CD1-SD 3.85Å; V294-M310 HydrophobicContact CB-CE 4.38Å; V294-M310 HydrophobicContact CG1-CE 3.37Å; I295-M310 HydrophobicContact CG1-SD 4.41Å; I306-M310 HydrophobicContact CG2-CE 3.55Å; I306-M310 HydrophobicContact CG2-CG 4.43Å; I306-M310 HydrophobicContact CG2-SD 4.25Å; I306-M310 WeakPolarHBondContact O-CG 3.41Å; I306-M310 PolarHBondContact O-N 2.9Å; I307-M310 WeakPolarHBondContact O-CB 3.14Å; I307-M310 PolarHBondContact O-N 3.19Å; I307-M310 VanDerWaalsContact O-N 3.11Å; M310-H312 VanDerWaalsContact C-N 3.26Å; M310-H312 PolarHBondContact O-N 3.49Å; M310-G313 PolarHBondContact O-N 3.22Å; M310-I314 HydrophobicContact CB-CD1 4.48Å; M310-I314 WeakPolarHBondContact O-CB 3.09Å; M310-I314 WeakPolarHBondContact O-CG1 3.33Å; M310-I314 PolarHBondContact O-N 2.73Å
311I84.1Confident84.4Confident0 Ų030.2 Ų30.20%016%0.157CC..Hα-helixtrans-52.7-50.4175-68.1168.6000109I307 D309 G313 I314 S315 D355 V356 L368I307-I311 HydrophobicContact CG2-CD1 3.86Å; I307-I311 HydrophobicContact CG2-CG1 4.32Å; I307-I311 VanDerWaalsContact O-CG1 3.3Å; I307-I311 WeakPolarHBondContact O-CG1 3.47Å; I307-I311 PolarHBondContact O-N 3.32Å; D309-I311 PolarHBondContact O-N 2.81Å; I311-G313 PolarHBondContact O-N 2.71Å; I311-I314 PolarHBondContact O-N 3.2Å; I311-S315 WeakPolarHBondContact O-CB 3.4Å; I311-S315 PolarHBondContact O-N 3Å; I311-S315 PolarHBondContact O-OG 2.8Å; I311-D355 HydrophobicContact CD1-CB 3.59Å; I311-D355 HydrophobicContact CG1-CB 4.38Å; I311-V356 HydrophobicContact CD1-CG2 4.23Å; I311-V356 HydrophobicContact CG1-CG2 3.56Å; I311-L368 HydrophobicContact CB-CD1 3.91Å; I311-L368 HydrophobicContact CG2-CD1 3.74Å; I311-L368 HydrophobicContact CG2-CG 4.18Å
312H80.9Confident83.8Confident0 Ų027.6 Ų27.60%014%0.144CC..Hα-helixtrans-64-36.3178.5-175.5105.7000112.8K85 V245 N308 D309 M310 W369K85-H312 HydrophobicContact CD-CB 4.24Å; V245-H312 WeakPolarHBondContact CG1-CD2 3.4Å; N308-H312 WeakPolarHBondContact O-CB 3.5Å; N308-H312 PolarHBondContact O-N 2.94Å; D309-H312 CarbonylContact O-C 3.59Å; D309-H312 WeakPolarHBondContact O-CA 3.45Å; D309-H312 WeakPolarHBondContact O-CB 3.45Å; D309-H312 PolarHBondContact O-N 3.47Å; M310-H312 VanDerWaalsContact C-N 3.26Å; M310-H312 PolarHBondContact O-N 3.49Å; H312-W369 HydrophobicContact CB-CZ3 4.46Å; H312-W369 AromaticContact CE1-CE3 3.76Å; H312-W369 AromaticContact ND1-CE3 3.48Å; H312-W369 AromaticContact ND1-CZ3 4Å; H312-W369 VanDerWaalsContact O-CZ3 3.29Å; H312-W369 WeakPolarHBondContact O-CZ3 3.22Å
313G83.7Confident83.6Confident0 Ų023.9 Ų23.90%013%0.127CC..Hα-helixtrans-67.2-45175.300000112.6D309 M310 I311 R316D309-G313 PolarHBondContact O-N 3.27Å; M310-G313 PolarHBondContact O-N 3.22Å; I311-G313 PolarHBondContact O-N 2.71Å; G313-R316 WeakPolarHBondContact O-CB 3.43Å
314I85.5Confident83.3Confident0 Ų020.5 Ų20.50%012%0.115CC..Hα-helixtrans-67.6-42.2-176.7-74.6162.3000111.5P235 F236 V239 M310 I311 R316 F317 V318 V356 L360P235-I314 HydrophobicContact CB-CG1 4.45Å; P235-I314 HydrophobicContact CB-CG2 4.11Å; F236-I314 HydrophobicContact CD2-CD1 4.42Å; V239-I314 HydrophobicContact CG2-CG1 4Å; M310-I314 HydrophobicContact CB-CD1 4.48Å; M310-I314 WeakPolarHBondContact O-CB 3.09Å; M310-I314 WeakPolarHBondContact O-CG1 3.33Å; M310-I314 PolarHBondContact O-N 2.73Å; I311-I314 PolarHBondContact O-N 3.2Å; I314-R316 PolarHBondContact O-N 3.24Å; I314-F317 WeakPolarHBondContact O-CB 3.35Å; I314-F317 WeakPolarHBondContact O-CD2 3.14Å; I314-F317 PolarHBondContact O-N 2.91Å; I314-V318 HydrophobicContact CG2-CG2 4.18Å; I314-V356 HydrophobicContact CD1-CG1 3.54Å; I314-L360 HydrophobicContact CD1-CD2 3.8Å; I314-L360 HydrophobicContact CD1-CG 4.1Å; I314-L360 HydrophobicContact CG1-CD2 4.07Å; I314-L360 HydrophobicContact CG2-CD2 3.85Å; I314-L360 HydrophobicContact CG2-CG 4.41Å
315S80.5Confident83.1Confident0 Ų018.9 Ų18.90%010%0.101CC..G310 helixtrans-67.5-14.6-172.237.70000112.5I311 F317 V318 W369I311-S315 WeakPolarHBondContact O-CB 3.4Å; I311-S315 PolarHBondContact O-N 3Å; I311-S315 PolarHBondContact O-OG 2.8Å; S315-F317 PolarHBondContact O-N 2.99Å; S315-F317 VanDerWaalsContact O-N 3.13Å; S315-V318 PolarHBondContact O-N 3.22Å; S315-W369 WeakPolarHBondContact O-CH2 3.43Å; S315-W369 WeakPolarHBondContact OG-CH2 3.41Å; S315-W369 WeakPolarHBondContact OG-CZ3 3.43Å
316R81.6Confident83.1Confident5 Ų518.5 Ų18.52%0.0199%0.093CC..G310 helixtrans-58.4-22.8169.3-67.5177.567.2122.3-10111.8H86 F142 T145 D164 D244 G313 I314H86-R316 PolarHBondContact CE1-NH1 3.22Å; F142-R316 HydrophobicContact CD2-CB 4.46Å; F142-R316 HydrophobicContact CD2-CG 4.08Å; F142-R316 HydrophobicContact CE1-CG 4.28Å; F142-R316 HydrophobicContact CE2-CG 3.78Å; F142-R316 HydrophobicContact CG-CG 4.47Å; F142-R316 HydrophobicContact CZ-CG 3.88Å; T145-R316 PolarHBondContact OG1-O 2.72Å; D164-R316 IonicContact OD1-NH2 3.19Å; D164-R316 IonicContact OD2-CZ 3.91Å; D164-R316 IonicContact OD2-NE 3.72Å; D164-R316 PolarHBondContact OD2-NE 2.67Å; D164-R316 IonicContact OD2-NH2 3.67Å; D164-R316 PolarHBondContact OD2-NH2 3.38Å; D244-R316 IonicContact OD1-CZ 2.87Å; D244-R316 IonicContact OD1-NH1 2.71Å; D244-R316 PolarHBondContact OD1-NH1 3.44Å; D244-R316 IonicContact OD1-NH2 2.8Å; D244-R316 IonicContact OD2-NH1 3.72Å; G313-R316 WeakPolarHBondContact O-CB 3.43Å; I314-R316 PolarHBondContact O-N 3.24Å
317F83.9Confident83.2Confident1 Ų117 Ų170%0.0049%0.086CC..G310 helixtrans-101.7-1.8177.7-48.4-76.4000111.4V3 D164 I167 L168 R172 P235 A238 I314 S315V3-F317 HydrophobicContact CG2-CE1 4.49Å; V3-F317 HydrophobicContact CG2-CZ 3.99Å; D164-F317 HydrophobicContact CB-CE1 3.91Å; I167-F317 HydrophobicContact CB-CD1 3.78Å; I167-F317 HydrophobicContact CB-CE1 3.65Å; I167-F317 HydrophobicContact CB-CZ 4.46Å; I167-F317 HydrophobicContact CG1-CE1 4.02Å; I167-F317 HydrophobicContact CG1-CZ 4.48Å; I167-F317 HydrophobicContact CG2-CD1 3.56Å; I167-F317 HydrophobicContact CG2-CE1 3.76Å; I167-F317 HydrophobicContact CG2-CG 4.01Å; I167-F317 HydrophobicContact CG2-CZ 4.35Å; L168-F317 HydrophobicContact CD2-CB 4.2Å; L168-F317 HydrophobicContact CD2-CD1 4.36Å; L168-F317 HydrophobicContact CG-CD1 4.19Å; R172-F317 PolarHBondContact NH1-O 2.9Å; R172-F317 PolarHBondContact NH2-O 2.81Å; P235-F317 HydrophobicContact CB-CB 4.17Å; P235-F317 HydrophobicContact CB-CD2 4.03Å; P235-F317 HydrophobicContact CB-CG 4.37Å; P235-F317 HydrophobicContact CG-CB 4.43Å; A238-F317 HydrophobicContact CB-CD2 4.44Å; A238-F317 HydrophobicContact CB-CE1 4.33Å; A238-F317 HydrophobicContact CB-CE2 3.55Å; A238-F317 HydrophobicContact CB-CZ 3.49Å; A238-F317 VanDerWaalsContact CB-CZ 3.49Å; I314-F317 WeakPolarHBondContact O-CB 3.35Å; I314-F317 WeakPolarHBondContact O-CD2 3.14Å; I314-F317 PolarHBondContact O-N 2.91Å; S315-F317 PolarHBondContact O-N 2.99Å; S315-F317 VanDerWaalsContact O-N 3.13Å
318V79.3Confident83.2Confident1 Ų116.8 Ų16.81%0.0068%0.084CC..SBendtrans-101.2130.5-175.9-179.40000111.1T145 I175 I314 S315 P320 S359 V365T145-V318 WeakPolarHBondContact CG2-O 3.37Å; I175-V318 HydrophobicContact CD1-CG1 4.47Å; I314-V318 HydrophobicContact CG2-CG2 4.18Å; S315-V318 PolarHBondContact O-N 3.22Å; V318-P320 WeakPolarHBondContact O-CD 3.33Å; V318-S359 VanDerWaalsContact CG2-O 3.25Å; V318-S359 WeakPolarHBondContact CG2-O 3.46Å; V318-V365 HydrophobicContact CB-CG1 4.3Å; V318-V365 HydrophobicContact CG1-CB 4.22Å; V318-V365 HydrophobicContact CG1-CG1 3.69Å; V318-V365 HydrophobicContact CG1-CG2 3.41Å; V318-V365 VanDerWaalsContact CG1-CG2 3.41Å
319C79.1Confident83.3Confident12 Ų1218.6 Ų18.68%0.08110%0.101CC..  trans-58.4118-176.2-176.40000111.7A149 I175 L321 Y367A149-C319 VanDerWaalsContact CB-SG 3.56Å; I175-C319 HydrophobicContact CG2-CB 4.09Å; C319-L321 VanDerWaalsContact C-N 3.32Å; C319-L321 PolarHBondContact O-N 2.99Å; C319-Y367 PolarHBondContact O-OH 3.42Å
320P78.7Confident83.5Confident4 Ų421.6 Ų21.63%0.02612%0.116CC..  trans-75.685.2173.433.1-34.7000109.6V146 V318 E322 E323 T324 Y367V146-P320 HydrophobicContact CG2-CG 3.53Å; V318-P320 WeakPolarHBondContact O-CD 3.33Å; P320-E322 PolarHBondContact O-N 2.68Å; P320-E323 HydrophobicContact CB-CB 4.29Å; P320-E323 PolarHBondContact O-N 2.97Å; P320-T324 WeakPolarHBondContact O-CB 3.26Å; P320-T324 PolarHBondContact O-N 3.41Å; P320-T324 PolarHBondContact O-OG1 3Å; P320-Y367 WeakPolarHBondContact CA-OH 3.32Å; P320-Y367 HydrophobicContact CB-CE1 4.09Å
321L76.9Confident83.6Confident13 Ų1322.2 Ų22.27%0.06812%0.119CC..Hα-helixtrans-56.1-53.4-167.5176.254.3000113.3L179 C319 E323 T324 K325 F337 I343 Y367L179-L321 HydrophobicContact CD1-CD1 3.76Å; L179-L321 HydrophobicContact CD2-CD1 3.14Å; L179-L321 HydrophobicContact CD2-CD2 3.58Å; L179-L321 HydrophobicContact CD2-CG 3.95Å; L179-L321 HydrophobicContact CG-CD1 4.07Å; C319-L321 VanDerWaalsContact C-N 3.32Å; C319-L321 PolarHBondContact O-N 2.99Å; L321-E323 VanDerWaalsContact C-N 3.34Å; L321-E323 PolarHBondContact O-N 2.78Å; L321-T324 CarbonylContact O-C 3.55Å; L321-T324 WeakPolarHBondContact O-CA 3.23Å; L321-T324 WeakPolarHBondContact O-CB 3.41Å; L321-T324 PolarHBondContact O-N 3.25Å; L321-K325 HydrophobicContact CD1-CD 4.2Å; L321-K325 HydrophobicContact CD1-CG 3.93Å; L321-K325 HydrophobicContact CG-CD 4.3Å; L321-K325 HydrophobicContact CG-CG 4.43Å; L321-K325 PolarHBondContact O-N 3.19Å; L321-F337 HydrophobicContact CD1-CE1 4.31Å; L321-I343 HydrophobicContact CD2-CB 3.93Å; L321-I343 HydrophobicContact CD2-CD1 3.83Å; L321-I343 HydrophobicContact CD2-CG1 4.32Å; L321-Y367 PolarHBondContact N-OH 3.27Å
322E79.1Confident83.5Confident104 Ų10423 Ų2349%0.48613%0.125SC..Hα-helixtrans-61.3-43.8-175.1-174.353.3-145.900111.8P320 T324 K325 N326P320-E322 PolarHBondContact O-N 2.68Å; E322-T324 VanDerWaalsContact C-N 3.33Å; E322-T324 PolarHBondContact O-N 3.28Å; E322-K325 PolarHBondContact O-N 2.84Å; E322-N326 WeakPolarHBondContact O-CB 3.46Å; E322-N326 VanDerWaalsContact O-CG 3.3Å; E322-N326 PolarHBondContact O-N 2.78Å; E322-N326 PolarHBondContact O-ND2 3.43Å; E322-N326 PolarHBondContact OE1-ND2 2.81Å
323E84.1Confident83Confident11 Ų1131.5 Ų31.55%0.05117%0.17CC..Hα-helixtrans-66.1-36.8174.7176.664.5175.700111.5V139 K140 V146 P320 L321 N326 V327 R386V139-E323 VanDerWaalsContact CA-OE1 3.28Å; V139-E323 WeakPolarHBondContact CA-OE1 3.49Å; K140-E323 PolarHBondContact N-OE1 2.89Å; V146-E323 HydrophobicContact CG2-CG 4.48Å; P320-E323 HydrophobicContact CB-CB 4.29Å; P320-E323 PolarHBondContact O-N 2.97Å; L321-E323 VanDerWaalsContact C-N 3.34Å; L321-E323 PolarHBondContact O-N 2.78Å; E323-N326 PolarHBondContact O-N 2.77Å; E323-V327 HydrophobicContact CG-CG2 4.23Å; E323-V327 VanDerWaalsContact O-CB 3.28Å; E323-V327 WeakPolarHBondContact O-CB 2.99Å; E323-V327 WeakPolarHBondContact O-CG2 3.43Å; E323-V327 PolarHBondContact O-N 3.46Å; E323-R386 IonicContact OE1-CZ 3.99Å; E323-R386 IonicContact OE1-NH1 2.76Å; E323-R386 PolarHBondContact OE1-NH1 3.44Å; E323-R386 IonicContact OE1-NH2 2.76Å; E323-R386 PolarHBondContact OE1-NH2 3.34Å; E323-R386 IonicContact OE2-CZ 3.55Å; E323-R386 IonicContact OE2-NH1 3.47Å; E323-R386 IonicContact OE2-NH2 2.8Å; E323-R386 PolarHBondContact OE2-NH2 3.41Å
324T85.5Confident82.2Confident2 Ų237.2 Ų37.21%0.01220%0.197CC..Hα-helixtrans-64.7-43.2176.9-55.10000111A149 I150 I153 P320 L321 E322 V327 M328 F337A149-T324 HydrophobicContact CB-CG2 3.72Å; I150-T324 HydrophobicContact CG1-CG2 4.46Å; I153-T324 HydrophobicContact CD1-CG2 3.8Å; P320-T324 WeakPolarHBondContact O-CB 3.26Å; P320-T324 PolarHBondContact O-N 3.41Å; P320-T324 PolarHBondContact O-OG1 3Å; L321-T324 CarbonylContact O-C 3.55Å; L321-T324 WeakPolarHBondContact O-CA 3.23Å; L321-T324 WeakPolarHBondContact O-CB 3.41Å; L321-T324 PolarHBondContact O-N 3.25Å; E322-T324 VanDerWaalsContact C-N 3.33Å; E322-T324 PolarHBondContact O-N 3.28Å; T324-V327 PolarHBondContact O-N 2.77Å; T324-M328 WeakPolarHBondContact O-CB 2.94Å; T324-M328 WeakPolarHBondContact O-CG 3.48Å; T324-M328 PolarHBondContact O-N 3.37Å; T324-F337 HydrophobicContact CG2-CZ 4.35Å
325K83.7Confident81.3Confident43 Ų4343 Ų4319%0.18724%0.237CC..Hα-helixtrans-58-52173.9-73.6-176.7176.7-176.60111.5L321 E322 V327 M328 S329 F337 S341L321-K325 HydrophobicContact CD1-CD 4.2Å; L321-K325 HydrophobicContact CD1-CG 3.93Å; L321-K325 HydrophobicContact CG-CD 4.3Å; L321-K325 HydrophobicContact CG-CG 4.43Å; L321-K325 PolarHBondContact O-N 3.19Å; E322-K325 PolarHBondContact O-N 2.84Å; K325-V327 VanDerWaalsContact C-N 3.3Å; K325-V327 PolarHBondContact O-N 2.69Å; K325-M328 PolarHBondContact O-N 2.83Å; K325-S329 PolarHBondContact O-N 3.39Å; K325-S329 PolarHBondContact O-OG 3.32Å; K325-F337 HydrophobicContact CB-CD2 4.38Å; K325-F337 HydrophobicContact CB-CE2 4.15Å; K325-F337 HydrophobicContact CB-CZ 4.22Å; K325-F337 HydrophobicContact CD-CD1 4.35Å; K325-F337 HydrophobicContact CD-CG 4.36Å; K325-F337 HydrophobicContact CG-CD1 3.66Å; K325-F337 HydrophobicContact CG-CD2 3.91Å; K325-F337 HydrophobicContact CG-CE1 3.62Å; K325-F337 HydrophobicContact CG-CE2 3.91Å; K325-F337 HydrophobicContact CG-CG 3.79Å; K325-F337 HydrophobicContact CG-CZ 3.74Å; K325-S341 PolarHBondContact NZ-OG 3.3Å
326N85.2Confident80.7Confident64 Ų6445.3 Ų45.334%0.34225%0.246SC..Hα-helixtrans-62.8-35.6179.9-73.5-45.3000113E322 E323 S329 L330E322-N326 WeakPolarHBondContact O-CB 3.46Å; E322-N326 VanDerWaalsContact O-CG 3.3Å; E322-N326 PolarHBondContact O-N 2.78Å; E322-N326 PolarHBondContact O-ND2 3.43Å; E322-N326 PolarHBondContact OE1-ND2 2.81Å; E323-N326 PolarHBondContact O-N 2.77Å; N326-S329 PolarHBondContact O-OG 2.71Å; N326-L330 WeakPolarHBondContact O-CD1 3.41Å; N326-L330 VanDerWaalsContact O-CG 3.24Å; N326-L330 WeakPolarHBondContact O-CG 3.16Å; N326-L330 PolarHBondContact O-N 2.78Å
327V89.8Confident80Confident0 Ų046.9 Ų46.90%025%0.253CS..Hα-helixtrans-72-42.3177.4166.60000110.9I137 V139 I150 E323 T324 K325 L330 L331I137-V327 HydrophobicContact CD1-CG1 4.28Å; I137-V327 HydrophobicContact CD1-CG2 4.31Å; I137-V327 HydrophobicContact CG2-CG1 3.75Å; V139-V327 HydrophobicContact CG1-CG2 3.85Å; I150-V327 HydrophobicContact CD1-CG1 3.49Å; I150-V327 VanDerWaalsContact CD1-CG1 3.49Å; E323-V327 HydrophobicContact CG-CG2 4.23Å; E323-V327 VanDerWaalsContact O-CB 3.28Å; E323-V327 WeakPolarHBondContact O-CB 2.99Å; E323-V327 WeakPolarHBondContact O-CG2 3.43Å; E323-V327 PolarHBondContact O-N 3.46Å; T324-V327 PolarHBondContact O-N 2.77Å; K325-V327 VanDerWaalsContact C-N 3.3Å; K325-V327 PolarHBondContact O-N 2.69Å; V327-L330 PolarHBondContact O-N 3.43Å; V327-L331 HydrophobicContact CG1-CD1 3.55Å; V327-L331 HydrophobicContact CG1-CG 4.25Å; V327-L331 WeakPolarHBondContact O-CB 3.28Å; V327-L331 VanDerWaalsContact O-CG 3.29Å; V327-L331 WeakPolarHBondContact O-CG 3.41Å; V327-L331 PolarHBondContact O-N 2.94Å
328M89.2Confident78.9Confident2 Ų249.8 Ų49.81%0.0127%0.269CS..Hα-helixtrans-64.3-41.7178.2-78.9-57.7-56.500112.4I150 I153 L154 T324 K325 L330 L331 S332 Y336 F337I150-M328 HydrophobicContact CB-SD 4.23Å; I150-M328 HydrophobicContact CG1-CG 4.37Å; I150-M328 HydrophobicContact CG1-SD 3.91Å; I150-M328 HydrophobicContact CG2-SD 3.76Å; I153-M328 HydrophobicContact CD1-CG 3.88Å; I153-M328 HydrophobicContact CD1-SD 4.44Å; I153-M328 HydrophobicContact CG2-CE 3.75Å; I153-M328 HydrophobicContact CG2-SD 4.39Å; L154-M328 HydrophobicContact CD2-CE 3.96Å; L154-M328 HydrophobicContact CG-CE 4.35Å; T324-M328 WeakPolarHBondContact O-CB 2.94Å; T324-M328 WeakPolarHBondContact O-CG 3.48Å; T324-M328 PolarHBondContact O-N 3.37Å; K325-M328 PolarHBondContact O-N 2.83Å; M328-L330 PolarHBondContact O-N 2.91Å; M328-L331 PolarHBondContact O-N 2.87Å; M328-L331 VanDerWaalsContact O-N 3.11Å; M328-S332 PolarHBondContact O-N 3.39Å; M328-Y336 HydrophobicContact CE-CD2 3.47Å; M328-Y336 VanDerWaalsContact CE-CD2 3.47Å; M328-Y336 HydrophobicContact CE-CE2 3.51Å; M328-Y336 HydrophobicContact CE-CG 4.25Å; M328-F337 HydrophobicContact CB-CE2 3.64Å; M328-F337 HydrophobicContact CB-CZ 4.07Å; M328-F337 HydrophobicContact CG-CE2 4.02Å; M328-F337 HydrophobicContact CG-CZ 3.96Å
329S88Confident77.8Confident79 Ų7957.8 Ų57.855%0.55231%0.312SS*.Hα-helixtrans-64.6-22.3175.9640000113.6K325 N326K325-S329 PolarHBondContact O-N 3.39Å; K325-S329 PolarHBondContact O-OG 3.32Å; N326-S329 PolarHBondContact O-OG 2.71Å
330L88.9Confident76.3Confident112 Ų11262.8 Ų62.859%0.58634%0.342SS*.Hα-helixtrans-89.7-19.8174.9-69171.6000113.4I137 N326 V327 M328I137-L330 HydrophobicContact CD1-CB 3.65Å; I137-L330 HydrophobicContact CD1-CD1 3.62Å; I137-L330 HydrophobicContact CD1-CG 4.3Å; N326-L330 WeakPolarHBondContact O-CD1 3.41Å; N326-L330 VanDerWaalsContact O-CG 3.24Å; N326-L330 WeakPolarHBondContact O-CG 3.16Å; N326-L330 PolarHBondContact O-N 2.78Å; V327-L330 PolarHBondContact O-N 3.43Å; M328-L330 PolarHBondContact O-N 2.91Å
331L88.8Confident74.9Confident14 Ų1463.6 Ų63.67%0.07335%0.348CS..Hα-helixtrans-98.2-24.4-178-74.1174000113.2Y73 I75 K135 I137 I150 V327 M328Y73-L331 HydrophobicContact CD1-CB 4.34Å; Y73-L331 HydrophobicContact CD1-CD1 4.22Å; Y73-L331 HydrophobicContact CD1-CD2 4.43Å; Y73-L331 HydrophobicContact CE1-CB 4.45Å; I75-L331 HydrophobicContact CD1-CD1 4.17Å; K135-L331 HydrophobicContact CB-CD2 3.98Å; K135-L331 WeakPolarHBondContact CD-O 2.95Å; K135-L331 WeakPolarHBondContact CE-O 3.45Å; I137-L331 HydrophobicContact CB-CD2 4.08Å; I137-L331 HydrophobicContact CB-CG 4.5Å; I137-L331 HydrophobicContact CG2-CD1 3.8Å; I137-L331 HydrophobicContact CG2-CD2 3.75Å; I137-L331 HydrophobicContact CG2-CG 3.91Å; I150-L331 HydrophobicContact CD1-CD1 4.15Å; V327-L331 HydrophobicContact CG1-CD1 3.55Å; V327-L331 HydrophobicContact CG1-CG 4.25Å; V327-L331 WeakPolarHBondContact O-CB 3.28Å; V327-L331 VanDerWaalsContact O-CG 3.29Å; V327-L331 WeakPolarHBondContact O-CG 3.41Å; V327-L331 PolarHBondContact O-N 2.94Å; M328-L331 PolarHBondContact O-N 2.87Å; M328-L331 VanDerWaalsContact O-N 3.11Å
332S80.4Confident73.3Confident16 Ų1669.3 Ų69.311%0.11238%0.383CS..  trans-141.8143-174.7-174.20000110.9M328 E334M328-S332 PolarHBondContact O-N 3.39Å; S332-E334 PolarHBondContact OG-N 3.01Å
333D70.3Confident71.8Confident179 Ų17966.6 Ų66.696%0.95737%0.371SS*.SBendtrans-79.1-9.2172.1-55.9-43000112.1
334E68.6Low70Confident120 Ų12074.5 Ų74.556%0.56141%0.406SS*.SBendtrans-82.9135-179.4-66.5177.9-175.700111.8S332 Y336S332-E334 PolarHBondContact OG-N 3.01Å; E334-Y336 HydrophobicContact CB-CD2 4.17Å; E334-Y336 HydrophobicContact CB-CE2 3.61Å; E334-Y336 VanDerWaalsContact O-CD2 3.27Å; E334-Y336 WeakPolarHBondContact O-CD2 3.29Å; E334-Y336 PolarHBondContact O-N 3.39Å; E334-Y336 PolarHBondContact OE2-OH 3.46Å
335S66.7Low68.3Low120 Ų12077.3 Ų77.384%0.83943%0.426SS*.  trans-81.7103.3172.651.10000110.9
336Y67.5Low66.4Low49 Ų4976.9 Ų76.919%0.19243%0.43CS..  trans-91.6-14.9178.9-69.8-84.3000114.7I153 L154 M328 E334I153-Y336 HydrophobicContact CG2-CD1 3.45Å; I153-Y336 VanDerWaalsContact CG2-CD1 3.45Å; I153-Y336 HydrophobicContact CG2-CD2 4.02Å; I153-Y336 HydrophobicContact CG2-CE1 4.07Å; I153-Y336 HydrophobicContact CG2-CG 3.42Å; I153-Y336 VanDerWaalsContact CG2-CG 3.42Å; L154-Y336 HydrophobicContact CD2-CE2 4.42Å; M328-Y336 HydrophobicContact CE-CD2 3.47Å; M328-Y336 VanDerWaalsContact CE-CD2 3.47Å; M328-Y336 HydrophobicContact CE-CE2 3.51Å; M328-Y336 HydrophobicContact CE-CG 4.25Å; E334-Y336 HydrophobicContact CB-CD2 4.17Å; E334-Y336 HydrophobicContact CB-CE2 3.61Å; E334-Y336 VanDerWaalsContact O-CD2 3.27Å; E334-Y336 WeakPolarHBondContact O-CD2 3.29Å; E334-Y336 PolarHBondContact O-N 3.39Å; E334-Y336 PolarHBondContact OE2-OH 3.46Å
337F66.6Low64.8Low39 Ų3980.6 Ų80.617%0.17144%0.443CS..SBendtrans-105.5144.4-170.2-59.9-83.2000112.4I153 L321 T324 K325 M328I153-F337 HydrophobicContact CD1-CE1 3.89Å; I153-F337 HydrophobicContact CD1-CZ 3.59Å; L321-F337 HydrophobicContact CD1-CE1 4.31Å; T324-F337 HydrophobicContact CG2-CZ 4.35Å; K325-F337 HydrophobicContact CB-CD2 4.38Å; K325-F337 HydrophobicContact CB-CE2 4.15Å; K325-F337 HydrophobicContact CB-CZ 4.22Å; K325-F337 HydrophobicContact CD-CD1 4.35Å; K325-F337 HydrophobicContact CD-CG 4.36Å; K325-F337 HydrophobicContact CG-CD1 3.66Å; K325-F337 HydrophobicContact CG-CD2 3.91Å; K325-F337 HydrophobicContact CG-CE1 3.62Å; K325-F337 HydrophobicContact CG-CE2 3.91Å; K325-F337 HydrophobicContact CG-CG 3.79Å; K325-F337 HydrophobicContact CG-CZ 3.74Å; M328-F337 HydrophobicContact CB-CE2 3.64Å; M328-F337 HydrophobicContact CB-CZ 4.07Å; M328-F337 HydrophobicContact CG-CE2 4.02Å; M328-F337 HydrophobicContact CG-CZ 3.96Å
338N60Low63.1Low61 Ų6190.6 Ų90.633%0.32648%0.481SS..  trans-77.8129.4166.3-67.7-20.5000110.5S181 T340 S341S181-N338 PolarHBondContact OG-ND2 3.23Å; S181-N338 PolarHBondContact OG-OD1 2.56Å; S181-N338 VanDerWaalsContact OG-OD1 3.13Å; N338-T340 PolarHBondContact O-N 2.97Å; N338-T340 VanDerWaalsContact O-N 3.09Å; N338-S341 PolarHBondContact O-N 3Å; N338-S341 PolarHBondContact O-OG 2.95Å
339D56.3Low61.8Low170 Ų17091.3 Ų91.391%0.90949%0.486SS*.THydrogen-bonded Turntrans-59.6-17.8174.1-74.1-23.3000113.1S341D339-S341 PolarHBondContact O-N 3.14Å
340T47.7Very low60.7Low117 Ų11794.3 Ų94.372%0.71850%0.496SS*.THydrogen-bonded Turntrans-82.1-4.2-175.948.30000115.4N338 T342N338-T340 PolarHBondContact O-N 2.97Å; N338-T340 VanDerWaalsContact O-N 3.09Å; T340-T342 PolarHBondContact O-N 3.21Å
341S50.1Low60Low21 Ų2189.2 Ų89.215%0.14747%0.47CS..  trans-75.490.5-178.550.60000112.5K325 N338 D339 I343K325-S341 PolarHBondContact NZ-OG 3.3Å; N338-S341 PolarHBondContact O-N 3Å; N338-S341 PolarHBondContact O-OG 2.95Å; D339-S341 PolarHBondContact O-N 3.14Å; S341-I343 VanDerWaalsContact C-N 3.26Å; S341-I343 PolarHBondContact O-N 3.44Å; S341-I343 VanDerWaalsContact O-N 3.15Å
342T42.8Very low59.7Low133 Ų13390.1 Ų90.182%0.81648%0.478SS*.  trans-83.751.5174.631.90000112.4T340 K344T340-T342 PolarHBondContact O-N 3.21Å; T342-K344 PolarHBondContact O-N 3.36Å; T342-K344 VanDerWaalsContact O-N 3.15Å
343I48.4Very low60Low46 Ų4691.2 Ų91.224%0.23648%0.484CS..  trans-78.6101165.3-64.9168.5000106.8N178 L321 S341 S345N178-I343 HydrophobicContact CB-CD1 4.39Å; L321-I343 HydrophobicContact CD2-CB 3.93Å; L321-I343 HydrophobicContact CD2-CD1 3.83Å; L321-I343 HydrophobicContact CD2-CG1 4.32Å; S341-I343 VanDerWaalsContact C-N 3.26Å; S341-I343 PolarHBondContact O-N 3.44Å; S341-I343 VanDerWaalsContact O-N 3.15Å; I343-S345 PolarHBondContact O-N 3.16Å
344K45.5Very low60.7Low178 Ų17888.1 Ų88.177%0.77446%0.464SS*.  trans-67.2118.2170.4-69.3-177.9179.8178.60108T342 A346T342-K344 PolarHBondContact O-N 3.36Å; T342-K344 VanDerWaalsContact O-N 3.15Å; K344-A346 VanDerWaalsContact C-N 3.33Å; K344-A346 PolarHBondContact O-N 3.37Å
345S49.1Very low61.4Low61 Ų6183.5 Ų83.543%0.42744%0.443SS..  trans-67.895.1161.545.10000107.9I343 F347I343-S345 PolarHBondContact O-N 3.16Å; S345-F347 PolarHBondContact O-N 3.09Å
346A45.4Very low62.3Low34 Ų3477.8 Ų77.828%0.28140%0.403SS..  trans-68.5117.3172.900000108.8K344 R348 N364K344-A346 VanDerWaalsContact C-N 3.33Å; K344-A346 PolarHBondContact O-N 3.37Å; A346-R348 PolarHBondContact O-N 2.87Å; A346-N364 WeakPolarHBondContact CB-OD1 3.2Å
347F50Low63.2Low141 Ų14176.3 Ų76.362%0.61840%0.398SS*.SBendtrans-74.5-6.7-168.7-127-87.7000114.6S345S345-F347 PolarHBondContact O-N 3.09Å
348R54.9Low63.9Low211 Ų21176.7 Ų76.780%0.79640%0.402SS*.  trans-145.1118.3-178.7-66.2-173.7178.3-179-0.9110.4A346A346-R348 PolarHBondContact O-N 2.87Å
349S61.5Low64.9Low17 Ų1773.8 Ų73.812%0.11939%0.386CS..  trans-68.3139.1162.358.70000108.3N308 G351 D355 L368N308-S349 PolarHBondContact OD1-OG 3.44Å; S349-G351 PolarHBondContact O-N 2.68Å; S349-D355 WeakPolarHBondContact CA-OD2 3.43Å; S349-D355 WeakPolarHBondContact CB-OD2 3.46Å; S349-L368 WeakPolarHBondContact OG-CD2 3.28Å; S349-L368 WeakPolarHBondContact OG-CG 3.12Å
350N65.8Low66.1Low142 Ų14266.3 Ų66.376%0.75935%0.346SS*.  trans-74.6-9.6166.8-71.1-21.3000111.1S352 D355N350-S352 VanDerWaalsContact C-N 3.35Å; N350-D355 PolarHBondContact N-OD2 2.94Å
351G74Confident67.6Low4 Ų465.8 Ų65.84%0.04133%0.334CS..  trans74.233-17400000110.8I307 N308 S349 D355I307-G351 VanDerWaalsContact CG2-C 3.49Å; I307-G351 VanDerWaalsContact CG2-O 3.31Å; I307-G351 WeakPolarHBondContact CG2-O 3.32Å; N308-G351 WeakPolarHBondContact OD1-CA 3.38Å; S349-G351 PolarHBondContact O-N 2.68Å; G351-D355 PolarHBondContact N-OD2 3.35Å
352S83.2Confident68.5Low34 Ų3465 Ų6524%0.23833%0.33CS..  trans-95.1166.8177.786.60000111.8I307 N350 E354 D355I307-S352 VanDerWaalsContact CG2-O 3.29Å; I307-S352 WeakPolarHBondContact CG2-O 3.3Å; N350-S352 VanDerWaalsContact C-N 3.35Å; S352-E354 WeakPolarHBondContact CB-OE2 3.22Å; S352-E354 PolarHBondContact O-N 2.9Å; S352-E354 PolarHBondContact OG-N 2.62Å; S352-E354 PolarHBondContact OG-OE2 2.86Å; S352-D355 PolarHBondContact N-OD2 3.39Å; S352-D355 VanDerWaalsContact N-OD2 3.14Å; S352-D355 WeakPolarHBondContact O-CB 3.36Å; S352-D355 PolarHBondContact O-N 3.37Å; S352-D355 PolarHBondContact OG-N 2.81Å
353V85.6Confident69.5Low38 Ų3862.3 Ų62.323%0.2331%0.313CS..Hα-helixtrans-65.7-34.2177.3-177.40000110.4L291 I295 I307 D355 V356 I357L291-V353 HydrophobicContact CD2-CG1 3.9Å; I295-V353 HydrophobicContact CD1-CG1 4.24Å; I295-V353 HydrophobicContact CD1-CG2 3.81Å; I307-V353 HydrophobicContact CD1-CG2 3.94Å; V353-D355 VanDerWaalsContact C-N 3.31Å; V353-D355 PolarHBondContact O-N 3.38Å; V353-V356 WeakPolarHBondContact O-CB 3.24Å; V353-V356 PolarHBondContact O-N 3.43Å; V353-V356 VanDerWaalsContact O-N 3.09Å; V353-I357 HydrophobicContact CG1-CD1 3.97Å; V353-I357 HydrophobicContact CG1-CG1 4.39Å; V353-I357 WeakPolarHBondContact O-CG1 3.33Å; V353-I357 PolarHBondContact O-N 2.88Å
354E86.1Confident70.1Confident115 Ų11562.5 Ų62.554%0.53732%0.315SS..Hα-helixtrans-59.6-40.2176.6-63.469-150.800111.6S352 V356 I357 D358S352-E354 WeakPolarHBondContact CB-OE2 3.22Å; S352-E354 PolarHBondContact O-N 2.9Å; S352-E354 PolarHBondContact OG-N 2.62Å; S352-E354 PolarHBondContact OG-OE2 2.86Å; E354-V356 PolarHBondContact O-N 3.39Å; E354-I357 PolarHBondContact O-N 2.82Å; E354-I357 VanDerWaalsContact O-N 3.15Å; E354-D358 WeakPolarHBondContact O-CB 3.15Å; E354-D358 PolarHBondContact O-N 3.39Å
355D82.9Confident70.6Confident22 Ų2254.3 Ų54.312%0.11828%0.28CS..Hα-helixtrans-59.8-36.4176.2-66.8-35000111.9I311 S349 N350 G351 S352 V353 S359I311-D355 HydrophobicContact CD1-CB 3.59Å; I311-D355 HydrophobicContact CG1-CB 4.38Å; S349-D355 WeakPolarHBondContact CA-OD2 3.43Å; S349-D355 WeakPolarHBondContact CB-OD2 3.46Å; N350-D355 PolarHBondContact N-OD2 2.94Å; G351-D355 PolarHBondContact N-OD2 3.35Å; S352-D355 PolarHBondContact N-OD2 3.39Å; S352-D355 VanDerWaalsContact N-OD2 3.14Å; S352-D355 WeakPolarHBondContact O-CB 3.36Å; S352-D355 PolarHBondContact O-N 3.37Å; S352-D355 PolarHBondContact OG-N 2.81Å; V353-D355 VanDerWaalsContact C-N 3.31Å; V353-D355 PolarHBondContact O-N 3.38Å; D355-S359 WeakPolarHBondContact O-CB 3.32Å; D355-S359 PolarHBondContact O-N 3.41Å; D355-S359 PolarHBondContact O-OG 2.95Å
356V85.7Confident70.8Confident0 Ų051.7 Ų51.70%026%0.261CS..Hα-helixtrans-70.5-46.4176.1-178.90000110.2L291 I307 I311 I314 V353 E354 D358 S359 L360L291-V356 HydrophobicContact CD1-CG1 3.84Å; L291-V356 HydrophobicContact CD2-CB 3.92Å; L291-V356 HydrophobicContact CD2-CG1 3.57Å; L291-V356 HydrophobicContact CG-CG1 4.37Å; I307-V356 HydrophobicContact CG2-CG2 3.76Å; I311-V356 HydrophobicContact CD1-CG2 4.23Å; I311-V356 HydrophobicContact CG1-CG2 3.56Å; I314-V356 HydrophobicContact CD1-CG1 3.54Å; V353-V356 WeakPolarHBondContact O-CB 3.24Å; V353-V356 PolarHBondContact O-N 3.43Å; V353-V356 VanDerWaalsContact O-N 3.09Å; E354-V356 PolarHBondContact O-N 3.39Å; V356-D358 VanDerWaalsContact C-N 3.31Å; V356-D358 PolarHBondContact O-N 2.99Å; V356-S359 WeakPolarHBondContact O-CB 3.29Å; V356-S359 PolarHBondContact O-N 3.27Å; V356-L360 HydrophobicContact CG1-CD1 4.12Å; V356-L360 HydrophobicContact CG1-CG 4.39Å; V356-L360 WeakPolarHBondContact O-CG 3.4Å; V356-L360 PolarHBondContact O-N 3.33Å
357I85.8Confident71.3Confident18 Ų1851.9 Ų51.99%0.09226%0.255CS..Hα-helixtrans-59.7-45178.8-66.7167.9000110.1I288 L291 V353 E354 S359 L360 K361I288-I357 HydrophobicContact CB-CD1 4.46Å; I288-I357 HydrophobicContact CD1-CD1 4.13Å; I288-I357 HydrophobicContact CG2-CD1 3.96Å; I288-I357 HydrophobicContact CG2-CG1 3.99Å; I288-I357 HydrophobicContact CG2-CG2 4.48Å; L291-I357 HydrophobicContact CD2-CG1 4.1Å; V353-I357 HydrophobicContact CG1-CD1 3.97Å; V353-I357 HydrophobicContact CG1-CG1 4.39Å; V353-I357 WeakPolarHBondContact O-CG1 3.33Å; V353-I357 PolarHBondContact O-N 2.88Å; E354-I357 PolarHBondContact O-N 2.82Å; E354-I357 VanDerWaalsContact O-N 3.15Å; I357-S359 VanDerWaalsContact C-N 3.33Å; I357-S359 PolarHBondContact O-N 2.86Å; I357-L360 PolarHBondContact O-N 3.12Å; I357-K361 HydrophobicContact CG2-CD 3.91Å; I357-K361 VanDerWaalsContact CG2-CE 3.45Å; I357-K361 HydrophobicContact CG2-CG 4.38Å; I357-K361 WeakPolarHBondContact O-CB 3.29Å; I357-K361 VanDerWaalsContact O-CG 3.3Å; I357-K361 WeakPolarHBondContact O-CG 3.47Å; I357-K361 PolarHBondContact O-N 3.22Å
358D81.1Confident71.4Confident47 Ų4746.4 Ų46.425%0.25123%0.232SC..Hα-helixtrans-63.6-38.8176.8-79.5-15000112.2E354 V356 K361 G362 T363 N364E354-D358 WeakPolarHBondContact O-CB 3.15Å; E354-D358 PolarHBondContact O-N 3.39Å; V356-D358 VanDerWaalsContact C-N 3.31Å; V356-D358 PolarHBondContact O-N 2.99Å; D358-K361 PolarHBondContact O-N 3.11Å; D358-G362 WeakPolarHBondContact O-CA 3.5Å; D358-G362 PolarHBondContact O-N 3.06Å; D358-T363 WeakPolarHBondContact CA-OG1 3.44Å; D358-T363 PolarHBondContact O-N 3.25Å; D358-T363 VanDerWaalsContact O-N 3.07Å; D358-T363 PolarHBondContact O-OG1 3.37Å; D358-T363 PolarHBondContact OD1-OG1 2.96Å; D358-N364 CarbonylContact C-O 3.52Å; D358-N364 HydrophobicContact CB-CB 3.95Å
359S80.3Confident71.6Confident0 Ų037.3 Ų37.30%020%0.198CC..Hα-helixtrans-65-38.9174.2-62.50000112.2V318 D355 V356 I357 G362V318-S359 VanDerWaalsContact CG2-O 3.25Å; V318-S359 WeakPolarHBondContact CG2-O 3.46Å; D355-S359 WeakPolarHBondContact O-CB 3.32Å; D355-S359 PolarHBondContact O-N 3.41Å; D355-S359 PolarHBondContact O-OG 2.95Å; V356-S359 WeakPolarHBondContact O-CB 3.29Å; V356-S359 PolarHBondContact O-N 3.27Å; I357-S359 VanDerWaalsContact C-N 3.33Å; I357-S359 PolarHBondContact O-N 2.86Å; S359-G362 PolarHBondContact O-N 3.2Å
360L82.9Confident71.3Confident14 Ų1438.5 Ų38.57%0.07320%0.201CC..Hα-helixtrans-70.8-37.7176.3-69.2173.6000112F232 P235 F236 I314 V356 I357 G362F232-L360 HydrophobicContact CD2-CB 3.98Å; F232-L360 HydrophobicContact CE1-CD1 4.36Å; F232-L360 HydrophobicContact CE2-CB 3.49Å; F232-L360 VanDerWaalsContact CE2-CB 3.49Å; F232-L360 HydrophobicContact CE2-CD1 4.36Å; F232-L360 HydrophobicContact CZ-CB 3.96Å; F232-L360 HydrophobicContact CZ-CD1 3.95Å; P235-L360 HydrophobicContact CB-CD2 3.97Å; P235-L360 HydrophobicContact CG-CD2 4.27Å; F236-L360 HydrophobicContact CB-CD2 4.09Å; I314-L360 HydrophobicContact CD1-CD2 3.8Å; I314-L360 HydrophobicContact CD1-CG 4.1Å; I314-L360 HydrophobicContact CG1-CD2 4.07Å; I314-L360 HydrophobicContact CG2-CD2 3.85Å; I314-L360 HydrophobicContact CG2-CG 4.41Å; V356-L360 HydrophobicContact CG1-CD1 4.12Å; V356-L360 HydrophobicContact CG1-CG 4.39Å; V356-L360 WeakPolarHBondContact O-CG 3.4Å; V356-L360 PolarHBondContact O-N 3.33Å; I357-L360 PolarHBondContact O-N 3.12Å; L360-G362 VanDerWaalsContact C-N 3.31Å
361K77.6Confident71.2Confident105 Ų10536.4 Ų36.446%0.45719%0.187SC..Hα-helixtrans-71.9-25.6173.5-70.6176.8-179.4171.80112.5F232 I357 D358 T363F232-K361 HydrophobicContact CD2-CG 4.49Å; F232-K361 HydrophobicContact CE2-CG 3.94Å; I357-K361 HydrophobicContact CG2-CD 3.91Å; I357-K361 VanDerWaalsContact CG2-CE 3.45Å; I357-K361 HydrophobicContact CG2-CG 4.38Å; I357-K361 WeakPolarHBondContact O-CB 3.29Å; I357-K361 VanDerWaalsContact O-CG 3.3Å; I357-K361 WeakPolarHBondContact O-CG 3.47Å; I357-K361 PolarHBondContact O-N 3.22Å; D358-K361 PolarHBondContact O-N 3.11Å; K361-T363 VanDerWaalsContact C-N 3.33Å; K361-T363 HydrophobicContact CB-CG2 3.97Å
362G69.3Low71.4Confident6 Ų638.3 Ų38.36%0.06220%0.196CC..THydrogen-bonded Turntrans74.719.7-172.600000114.1D358 S359 L360D358-G362 WeakPolarHBondContact O-CA 3.5Å; D358-G362 PolarHBondContact O-N 3.06Å; S359-G362 PolarHBondContact O-N 3.2Å; L360-G362 VanDerWaalsContact C-N 3.31Å
363T65.4Low71.4Confident76 Ų7637 Ų3747%0.46619%0.186SC..SBendtrans-85.1-38.8-175.9420000112.9D358 K361D358-T363 WeakPolarHBondContact CA-OG1 3.44Å; D358-T363 PolarHBondContact O-N 3.25Å; D358-T363 VanDerWaalsContact O-N 3.07Å; D358-T363 PolarHBondContact O-OG1 3.37Å; D358-T363 PolarHBondContact OD1-OG1 2.96Å; K361-T363 VanDerWaalsContact C-N 3.33Å; K361-T363 HydrophobicContact CB-CG2 3.97Å
364N60.1Low71.6Confident50 Ų5035.3 Ų35.327%0.26718%0.176SC..  trans-140.4129.6175.5-170.8-0.1000108.2A346 D358A346-N364 WeakPolarHBondContact CB-OD1 3.2Å; D358-N364 CarbonylContact C-O 3.52Å; D358-N364 HydrophobicContact CB-CB 3.95Å
365V56.2Low71.7Confident6 Ų634.1 Ų34.14%0.03617%0.173CC..  trans-117.697-175.3-164.30000108.3V318 Y367V318-V365 HydrophobicContact CB-CG1 4.3Å; V318-V365 HydrophobicContact CG1-CB 4.22Å; V318-V365 HydrophobicContact CG1-CG1 3.69Å; V318-V365 HydrophobicContact CG1-CG2 3.41Å; V318-V365 VanDerWaalsContact CG1-CG2 3.41Å; V365-Y367 HydrophobicContact CB-CD2 4.47Å; V365-Y367 HydrophobicContact CB-CE1 4.08Å; V365-Y367 HydrophobicContact CB-CE2 3.85Å; V365-Y367 HydrophobicContact CG1-CD1 3.74Å; V365-Y367 HydrophobicContact CG1-CD2 4.32Å; V365-Y367 HydrophobicContact CG1-CE1 3.32Å; V365-Y367 HydrophobicContact CG1-CE2 3.95Å; V365-Y367 HydrophobicContact CG1-CG 4.21Å; V365-Y367 VanDerWaalsContact CG1-CZ 3.42Å; V365-Y367 WeakPolarHBondContact O-CD2 3.37Å; V365-Y367 WeakPolarHBondContact O-CE2 3.23Å; V365-Y367 PolarHBondContact O-N 3.22Å; V365-Y367 VanDerWaalsContact O-N 3.14Å
366A52.3Low72.1Confident5 Ų535.1 Ų35.14%0.04119%0.189CC..  trans-73.998.6165.900000108.8L368A366-L368 PolarHBondContact O-N 2.93Å; A366-L368 VanDerWaalsContact O-N 3.13Å
367Y57Low72.5Confident39 Ų3935.8 Ų35.815%0.15319%0.191CC..  trans-75.9100.7175.7-57.3-80.4000109.8C319 P320 L321 V365 W369 H370C319-Y367 PolarHBondContact O-OH 3.42Å; P320-Y367 WeakPolarHBondContact CA-OH 3.32Å; P320-Y367 HydrophobicContact CB-CE1 4.09Å; L321-Y367 PolarHBondContact N-OH 3.27Å; V365-Y367 HydrophobicContact CB-CD2 4.47Å; V365-Y367 HydrophobicContact CB-CE1 4.08Å; V365-Y367 HydrophobicContact CB-CE2 3.85Å; V365-Y367 HydrophobicContact CG1-CD1 3.74Å; V365-Y367 HydrophobicContact CG1-CD2 4.32Å; V365-Y367 HydrophobicContact CG1-CE1 3.32Å; V365-Y367 HydrophobicContact CG1-CE2 3.95Å; V365-Y367 HydrophobicContact CG1-CG 4.21Å; V365-Y367 VanDerWaalsContact CG1-CZ 3.42Å; V365-Y367 WeakPolarHBondContact O-CD2 3.37Å; V365-Y367 WeakPolarHBondContact O-CE2 3.23Å; V365-Y367 PolarHBondContact O-N 3.22Å; V365-Y367 VanDerWaalsContact O-N 3.14Å; Y367-W369 AromaticContact CD1-CE2 3.97Å; Y367-W369 AromaticContact CD1-CZ2 3.96Å; Y367-W369 HydrophobicContact CD1-CZ2 3.96Å; Y367-W369 AromaticContact CD1-NE1 3.91Å; Y367-W369 PolarHBondContact O-N 3.31Å; Y367-W369 VanDerWaalsContact O-N 3.16Å; Y367-H370 HydrophobicContact CG-CB 4.49Å
368L51.1Low73Confident25 Ų2536.9 Ų36.913%0.13120%0.199CC..THydrogen-bonded Turntrans-72.2-0177-84.4176.6000115N308 I311 S349 A366N308-L368 HydrophobicContact CB-CD1 4.13Å; N308-L368 VanDerWaalsContact O-CD1 3.24Å; N308-L368 WeakPolarHBondContact O-CD1 3.48Å; I311-L368 HydrophobicContact CB-CD1 3.91Å; I311-L368 HydrophobicContact CG2-CD1 3.74Å; I311-L368 HydrophobicContact CG2-CG 4.18Å; S349-L368 WeakPolarHBondContact OG-CD2 3.28Å; S349-L368 WeakPolarHBondContact OG-CG 3.12Å; A366-L368 PolarHBondContact O-N 2.93Å; A366-L368 VanDerWaalsContact O-N 3.13Å
369W59Low73.6Confident21 Ų2140 Ų408%0.0822%0.222CC..THydrogen-bonded Turntrans-119.9-8.9-17753.978.6000115.9F142 H312 S315 Y367 E371F142-W369 AromaticContact CD2-CH2 3.89Å; F142-W369 HydrophobicContact CD2-CH2 3.89Å; F142-W369 AromaticContact CD2-CZ2 3.71Å; F142-W369 HydrophobicContact CD2-CZ2 3.71Å; F142-W369 AromaticContact CE2-CD2 3.79Å; F142-W369 HydrophobicContact CE2-CD2 3.79Å; F142-W369 AromaticContact CE2-CE2 3.62Å; F142-W369 AromaticContact CE2-CE3 3.9Å; F142-W369 HydrophobicContact CE2-CE3 3.9Å; F142-W369 HydrophobicContact CE2-CG 4.41Å; F142-W369 AromaticContact CE2-CH2 3.34Å; F142-W369 HydrophobicContact CE2-CH2 3.34Å; F142-W369 AromaticContact CE2-CZ2 3.48Å; F142-W369 HydrophobicContact CE2-CZ2 3.48Å; F142-W369 VanDerWaalsContact CE2-CZ2 3.48Å; F142-W369 AromaticContact CE2-CZ3 3.63Å; F142-W369 HydrophobicContact CE2-CZ3 3.63Å; F142-W369 HydrophobicContact CZ-CE3 4.46Å; F142-W369 HydrophobicContact CZ-CH2 4.44Å; F142-W369 HydrophobicContact CZ-CZ3 4.37Å; H312-W369 HydrophobicContact CB-CZ3 4.46Å; H312-W369 AromaticContact CE1-CE3 3.76Å; H312-W369 AromaticContact ND1-CE3 3.48Å; H312-W369 AromaticContact ND1-CZ3 4Å; H312-W369 VanDerWaalsContact O-CZ3 3.29Å; H312-W369 WeakPolarHBondContact O-CZ3 3.22Å; S315-W369 WeakPolarHBondContact O-CH2 3.43Å; S315-W369 WeakPolarHBondContact OG-CH2 3.41Å; S315-W369 WeakPolarHBondContact OG-CZ3 3.43Å; Y367-W369 AromaticContact CD1-CE2 3.97Å; Y367-W369 AromaticContact CD1-CZ2 3.96Å; Y367-W369 HydrophobicContact CD1-CZ2 3.96Å; Y367-W369 AromaticContact CD1-NE1 3.91Å; Y367-W369 PolarHBondContact O-N 3.31Å; Y367-W369 VanDerWaalsContact O-N 3.16Å; W369-E371 PolarHBondContact O-N 3.29Å
370H55.4Low74.4Confident41 Ų4143.8 Ų43.819%0.1924%0.237CC..  trans-105.259.9-162.5-157.8-69000113.2K140 Y367 D372K140-H370 WeakPolarHBondContact CB-NE2 3.39Å; Y367-H370 HydrophobicContact CG-CB 4.49Å; H370-D372 PolarHBondContact O-N 3.28Å
371E64.9Low75Confident98 Ų9843.1 Ų43.146%0.45823%0.233SC..  trans-73.4115.4150.4-74.7-176.4-175.800106.9M82 W369 Y373M82-E371 HydrophobicContact CE-CB 4.44Å; W369-E371 PolarHBondContact O-N 3.29Å; E371-Y373 VanDerWaalsContact C-N 3.27Å; E371-Y373 PolarHBondContact O-N 3.31Å
372D77.3Confident75.8Confident44 Ų4440.6 Ų40.624%0.23522%0.224CC..  trans-68.690.8173.2-179.910.9000108.9K140 H370 T374 N375K140-D372 WeakPolarHBondContact CD-OD1 3.42Å; K140-D372 VanDerWaalsContact CE-OD1 3.31Å; K140-D372 WeakPolarHBondContact CE-OD1 3.38Å; K140-D372 VanDerWaalsContact NZ-CG 3.25Å; K140-D372 IonicContact NZ-OD1 3.68Å; K140-D372 PolarHBondContact NZ-OD1 2.59Å; K140-D372 VanDerWaalsContact NZ-OD1 3.17Å; K140-D372 IonicContact NZ-OD2 2.83Å; K140-D372 PolarHBondContact NZ-OD2 3.03Å; H370-D372 PolarHBondContact O-N 3.28Å; D372-T374 PolarHBondContact O-N 2.93Å; D372-T374 VanDerWaalsContact O-N 3.09Å; D372-T374 WeakPolarHBondContact OD1-CB 3.44Å; D372-T374 PolarHBondContact OD1-N 2.9Å; D372-T374 PolarHBondContact OD1-OG1 3.44Å; D372-N375 HydrophobicContact CB-CB 4.42Å; D372-N375 WeakPolarHBondContact O-CB 3.39Å; D372-N375 PolarHBondContact O-N 3.04Å
373Y84.2Confident77Confident7 Ų746.8 Ų46.83%0.02725%0.247CC..THydrogen-bonded Turntrans-65.5-12.418069.4-96.2000112.8G78 C80 M82 E371 N375 W377 F385 Y397 K444G78-Y373 PolarHBondContact O-OH 3.41Å; C80-Y373 HydrophobicContact CB-CD1 4.09Å; C80-Y373 HydrophobicContact CB-CE1 3.69Å; M82-Y373 HydrophobicContact SD-CD1 4.35Å; E371-Y373 VanDerWaalsContact C-N 3.27Å; E371-Y373 PolarHBondContact O-N 3.31Å; Y373-N375 VanDerWaalsContact C-N 3.33Å; Y373-W377 HydrophobicContact CD2-CH2 4.14Å; Y373-W377 AromaticContact CD2-CZ2 3.91Å; Y373-W377 HydrophobicContact CD2-CZ2 3.91Å; Y373-W377 AromaticContact CE2-CH2 3.77Å; Y373-W377 HydrophobicContact CE2-CH2 3.77Å; Y373-W377 HydrophobicContact CE2-CZ2 4.02Å; Y373-W377 PolarHBondContact O-NE1 3.22Å; Y373-F385 WeakPolarHBondContact OH-CE2 3.33Å; Y373-F385 WeakPolarHBondContact OH-CZ 3.49Å; Y373-Y397 HydrophobicContact CD2-CD1 4.22Å; Y373-Y397 AromaticContact CD2-CD2 3.62Å; Y373-Y397 HydrophobicContact CD2-CD2 3.62Å; Y373-Y397 HydrophobicContact CD2-CE1 4.31Å; Y373-Y397 AromaticContact CD2-CE2 3.75Å; Y373-Y397 HydrophobicContact CD2-CE2 3.75Å; Y373-Y397 AromaticContact CD2-CG 3.9Å; Y373-Y397 HydrophobicContact CD2-CG 3.9Å; Y373-Y397 HydrophobicContact CE2-CD2 4.06Å; Y373-Y397 HydrophobicContact CE2-CE2 4.22Å; Y373-Y397 HydrophobicContact CG-CD1 4.22Å; Y373-Y397 HydrophobicContact CG-CD2 4.18Å; Y373-Y397 AromaticContact CG-CG 3.99Å; Y373-Y397 HydrophobicContact CG-CG 3.99Å; Y373-K444 WeakPolarHBondContact O-CD 3.32Å; Y373-K444 PolarHBondContact O-NZ 3.08Å
374T88.7Confident78.4Confident3 Ų344.6 Ų44.62%0.01823%0.232CC..THydrogen-bonded Turntrans-87.2-3.1174.2750000113.4K140 D372 G376 W377 F385K140-T374 WeakPolarHBondContact CE-OG1 3.21Å; K140-T374 PolarHBondContact NZ-OG1 3.19Å; D372-T374 PolarHBondContact O-N 2.93Å; D372-T374 VanDerWaalsContact O-N 3.09Å; D372-T374 WeakPolarHBondContact OD1-CB 3.44Å; D372-T374 PolarHBondContact OD1-N 2.9Å; D372-T374 PolarHBondContact OD1-OG1 3.44Å; T374-G376 PolarHBondContact O-N 2.86Å; T374-W377 HydrophobicContact CG2-CD2 4.3Å; T374-W377 HydrophobicContact CG2-CE3 3.87Å; T374-W377 HydrophobicContact CG2-CH2 3.96Å; T374-W377 HydrophobicContact CG2-CZ2 4.35Å; T374-W377 HydrophobicContact CG2-CZ3 3.7Å; T374-W377 VanDerWaalsContact O-CB 3.28Å; T374-W377 WeakPolarHBondContact O-CB 3.43Å; T374-W377 PolarHBondContact O-N 3.27Å; T374-W377 VanDerWaalsContact O-N 3.08Å; T374-F385 HydrophobicContact CG2-CD1 4.21Å; T374-F385 HydrophobicContact CG2-CE1 3.91Å; T374-F385 HydrophobicContact CG2-CZ 4.29Å
375N87.6Confident80Confident90 Ų9042.2 Ų42.248%0.48122%0.219SC..THydrogen-bonded Turntrans-56.9132.7179.4-176.230.1000110.9D372 Y373 W377 K444D372-N375 HydrophobicContact CB-CB 4.42Å; D372-N375 WeakPolarHBondContact O-CB 3.39Å; D372-N375 PolarHBondContact O-N 3.04Å; Y373-N375 VanDerWaalsContact C-N 3.33Å; N375-W377 VanDerWaalsContact C-N 3.26Å; N375-W377 PolarHBondContact O-N 2.95Å; N375-K444 PolarHBondContact O-NZ 2.97Å
376G91.2Very high81.8Confident43 Ų4343.1 Ų43.144%0.44322%0.222SC..THydrogen-bonded Turntrans78.5-4.8-177.700000115.7T374 L439T374-G376 PolarHBondContact O-N 2.86Å; G376-L439 VanDerWaalsContact O-CD1 3.28Å; G376-L439 WeakPolarHBondContact O-CD1 3.07Å
377W94.5Very high83.7Confident13 Ų1347.3 Ų47.35%0.04924%0.239CC..  trans-61.8144.5176-75.55.2000112Y373 T374 N375 L381 F385 Y397 Y432 E436Y373-W377 HydrophobicContact CD2-CH2 4.14Å; Y373-W377 AromaticContact CD2-CZ2 3.91Å; Y373-W377 HydrophobicContact CD2-CZ2 3.91Å; Y373-W377 AromaticContact CE2-CH2 3.77Å; Y373-W377 HydrophobicContact CE2-CH2 3.77Å; Y373-W377 HydrophobicContact CE2-CZ2 4.02Å; Y373-W377 PolarHBondContact O-NE1 3.22Å; T374-W377 HydrophobicContact CG2-CD2 4.3Å; T374-W377 HydrophobicContact CG2-CE3 3.87Å; T374-W377 HydrophobicContact CG2-CH2 3.96Å; T374-W377 HydrophobicContact CG2-CZ2 4.35Å; T374-W377 HydrophobicContact CG2-CZ3 3.7Å; T374-W377 VanDerWaalsContact O-CB 3.28Å; T374-W377 WeakPolarHBondContact O-CB 3.43Å; T374-W377 PolarHBondContact O-N 3.27Å; T374-W377 VanDerWaalsContact O-N 3.08Å; N375-W377 VanDerWaalsContact C-N 3.26Å; N375-W377 PolarHBondContact O-N 2.95Å; W377-L381 HydrophobicContact CB-CD2 4.2Å; W377-L381 HydrophobicContact CD2-CD2 3.68Å; W377-L381 HydrophobicContact CD2-CG 4.26Å; W377-L381 HydrophobicContact CE3-CD2 3.72Å; W377-L381 HydrophobicContact CE3-CG 3.8Å; W377-L381 HydrophobicContact CG-CD2 3.92Å; W377-L381 HydrophobicContact CZ3-CD2 4.3Å; W377-L381 HydrophobicContact CZ3-CG 4.28Å; W377-F385 HydrophobicContact CZ3-CB 4.13Å; W377-F385 HydrophobicContact CZ3-CD1 4.47Å; W377-F385 HydrophobicContact CZ3-CD2 4.03Å; W377-F385 AromaticContact CZ3-CG 3.95Å; W377-F385 HydrophobicContact CZ3-CG 3.95Å; W377-Y397 AromaticContact CZ2-CE2 3.97Å; W377-Y397 HydrophobicContact CZ2-CE2 3.97Å; W377-Y397 AromaticContact CZ2-CZ 3.93Å; W377-Y397 WeakPolarHBondContact CZ2-OH 3.11Å; W377-Y432 AromaticContact CH2-CE1 3.85Å; W377-Y432 HydrophobicContact CH2-CE1 3.85Å; W377-Y432 HydrophobicContact CZ2-CD1 4.16Å; W377-Y432 AromaticContact CZ2-CE1 3.6Å; W377-Y432 HydrophobicContact CZ2-CE1 3.6Å; W377-E436 PolarHBondContact NE1-OE1 3.46Å
378P95.8Very high85.3Confident41 Ų4145.6 Ų45.627%0.26623%0.234SC..  trans-55143.3174.2-2735000112.3R380 L381 L382 L435 L608P378-R380 VanDerWaalsContact C-N 3.25Å; P378-R380 PolarHBondContact O-N 3.41Å; P378-R380 VanDerWaalsContact O-N 3.12Å; P378-L381 PolarHBondContact O-N 2.82Å; P378-L382 PolarHBondContact O-N 3.18Å; P378-L435 HydrophobicContact CG-CD1 4.27Å; P378-L608 HydrophobicContact CG-CD2 4.03Å
379P95.1Very high87.3Confident112 Ų11247.5 Ų47.573%0.72725%0.246SC*.Hα-helixtrans-54-38.2-175.2-29.335.1000114.2L382 Y383P379-L382 PolarHBondContact O-N 2.99Å; P379-Y383 VanDerWaalsContact O-CB 3.24Å; P379-Y383 WeakPolarHBondContact O-CB 3.46Å; P379-Y383 PolarHBondContact O-N 2.85Å
380R96.5Very high88.9Confident81 Ų8146.5 Ų46.531%0.30624%0.242SC..Hα-helixtrans-66.5-40.9178.9-176.6176.1171.7166.8-3.3112.7P378 N384 N606 C607 E611 Q614P378-R380 VanDerWaalsContact C-N 3.25Å; P378-R380 PolarHBondContact O-N 3.41Å; P378-R380 VanDerWaalsContact O-N 3.12Å; R380-N384 WeakPolarHBondContact O-CB 3.11Å; R380-N384 PolarHBondContact O-N 3.25Å; R380-N384 PolarHBondContact O-ND2 2.99Å; R380-N606 PolarHBondContact NE-O 2.7Å; R380-N606 PolarHBondContact NH1-O 3.47Å; R380-N606 PolarHBondContact NH2-O 2.98Å; R380-N606 VanDerWaalsContact NH2-O 3.07Å; R380-C607 HydrophobicContact CG-CB 4.21Å; R380-E611 IonicContact NH1-OE1 2.72Å; R380-Q614 VanDerWaalsContact CZ-NE2 3.32Å
381L96.5Very high90.5Very high0 Ų046.5 Ų46.50%024%0.242CC..Hα-helixtrans-65.1-47.5175178.964.2000110.3W377 P378 Y383 N384 F385 V390 Y432 L435 T604 C607 L608W377-L381 HydrophobicContact CB-CD2 4.2Å; W377-L381 HydrophobicContact CD2-CD2 3.68Å; W377-L381 HydrophobicContact CD2-CG 4.26Å; W377-L381 HydrophobicContact CE3-CD2 3.72Å; W377-L381 HydrophobicContact CE3-CG 3.8Å; W377-L381 HydrophobicContact CG-CD2 3.92Å; W377-L381 HydrophobicContact CZ3-CD2 4.3Å; W377-L381 HydrophobicContact CZ3-CG 4.28Å; P378-L381 PolarHBondContact O-N 2.82Å; L381-Y383 PolarHBondContact O-N 3.28Å; L381-N384 PolarHBondContact O-N 3Å; L381-F385 VanDerWaalsContact O-CB 3.31Å; L381-F385 WeakPolarHBondContact O-CB 3.31Å; L381-F385 PolarHBondContact O-N 3.03Å; L381-V390 HydrophobicContact CD1-CG1 4.03Å; L381-V390 HydrophobicContact CD1-CG2 4.22Å; L381-Y432 HydrophobicContact CD2-CE1 4.4Å; L381-L435 HydrophobicContact CD2-CD2 3.62Å; L381-T604 HydrophobicContact CD1-CG2 4.31Å; L381-C607 HydrophobicContact CB-CB 4.23Å; L381-C607 HydrophobicContact CD1-CB 4.12Å; L381-L608 HydrophobicContact CB-CD2 4.42Å; L381-L608 HydrophobicContact CD2-CD2 4.01Å
382L94Very high91.7Very high51 Ų5143.3 Ų43.327%0.26723%0.23SC..Hα-helixtrans-60.8-44178.8-179.260.4000111.8P378 P379 F385 R386P378-L382 PolarHBondContact O-N 3.18Å; P379-L382 PolarHBondContact O-N 2.99Å; L382-F385 PolarHBondContact O-N 3.48Å; L382-R386 HydrophobicContact CD1-CG 4.23Å; L382-R386 WeakPolarHBondContact O-CB 3.35Å; L382-R386 VanDerWaalsContact O-CG 3.29Å; L382-R386 WeakPolarHBondContact O-CG 3.36Å; L382-R386 PolarHBondContact O-N 3.44Å
383Y94.4Very high92.3Very high137 Ų13741.6 Ų41.654%0.53722%0.22SC..Hα-helixtrans-59.3-49.8176.2174.7-98.2000111.9P379 L381 F385 R386 K387P379-Y383 VanDerWaalsContact O-CB 3.24Å; P379-Y383 WeakPolarHBondContact O-CB 3.46Å; P379-Y383 PolarHBondContact O-N 2.85Å; L381-Y383 PolarHBondContact O-N 3.28Å; Y383-F385 VanDerWaalsContact C-N 3.33Å; Y383-F385 PolarHBondContact O-N 2.84Å; Y383-R386 PolarHBondContact O-N 3.15Å; Y383-K387 HydrophobicContact CD1-CG 4.48Å; Y383-K387 HydrophobicContact CE1-CG 4.04Å; Y383-K387 HydrophobicContact CE2-CG 4.09Å; Y383-K387 PolarHBondContact O-N 2.98Å; Y383-K387 VanDerWaalsContact OH-CE 3.32Å; Y383-K387 WeakPolarHBondContact OH-CE 3.06Å
384N94.6Very high92.5Very high30 Ų3043.1 Ų43.116%0.1623%0.231CC..Hα-helixtrans-68.5-31.6179.8-79.7-78.7000112.8R380 L381 G388 T389 V390R380-N384 WeakPolarHBondContact O-CB 3.11Å; R380-N384 PolarHBondContact O-N 3.25Å; R380-N384 PolarHBondContact O-ND2 2.99Å; L381-N384 PolarHBondContact O-N 3Å; N384-G388 PolarHBondContact O-N 3.46Å; N384-T389 PolarHBondContact O-N 3.41Å; N384-V390 HydrophobicContact CB-CG2 3.83Å; N384-V390 PolarHBondContact O-N 2.86Å; N384-V390 VanDerWaalsContact O-N 3.11Å
385F94.3Very high92.7Very high0 Ų043.2 Ų43.20%023%0.232CC..Hα-helixtrans-63.9-48.6170.3172.1-98.7000111.6R138 Y373 T374 W377 L381 L382 Y383 K387 G388 V390 P392R138-F385 VanDerWaalsContact CD-CZ 3.43Å; R138-F385 WeakPolarHBondContact CD-O 3.39Å; R138-F385 HydrophobicContact CG-CE1 4.49Å; R138-F385 HydrophobicContact CG-CZ 4.37Å; R138-F385 PolarHBondContact NE-O 3.46Å; Y373-F385 WeakPolarHBondContact OH-CE2 3.33Å; Y373-F385 WeakPolarHBondContact OH-CZ 3.49Å; T374-F385 HydrophobicContact CG2-CD1 4.21Å; T374-F385 HydrophobicContact CG2-CE1 3.91Å; T374-F385 HydrophobicContact CG2-CZ 4.29Å; W377-F385 HydrophobicContact CZ3-CB 4.13Å; W377-F385 HydrophobicContact CZ3-CD1 4.47Å; W377-F385 HydrophobicContact CZ3-CD2 4.03Å; W377-F385 AromaticContact CZ3-CG 3.95Å; W377-F385 HydrophobicContact CZ3-CG 3.95Å; L381-F385 VanDerWaalsContact O-CB 3.31Å; L381-F385 WeakPolarHBondContact O-CB 3.31Å; L381-F385 PolarHBondContact O-N 3.03Å; L382-F385 PolarHBondContact O-N 3.48Å; Y383-F385 VanDerWaalsContact C-N 3.33Å; Y383-F385 PolarHBondContact O-N 2.84Å; F385-K387 PolarHBondContact O-N 3.46Å; F385-G388 PolarHBondContact O-N 3.32Å; F385-G388 VanDerWaalsContact O-N 3.1Å; F385-V390 HydrophobicContact CB-CB 4.42Å; F385-P392 HydrophobicContact CE2-CB 4.12Å; F385-P392 HydrophobicContact CE2-CG 3.82Å; F385-P392 HydrophobicContact CZ-CG 4.46Å
386R93Very high92.9Very high24 Ų2439 Ų399%0.09121%0.209CC..Hα-helixtrans-63.6-37.9178.2-73.1-68.6-162.2178.57112I137 R138 E323 L382 Y383 G388I137-R386 CarbonylContact C-O 3.58Å; I137-R386 WeakPolarHBondContact CA-O 3.4Å; I137-R386 HydrophobicContact CG1-CB 4.47Å; R138-R386 WeakPolarHBondContact CB-O 3.46Å; R138-R386 PolarHBondContact N-O 2.89Å; R138-R386 WeakPolarHBondContact O-CD 3.47Å; R138-R386 PolarHBondContact O-NH1 3.3Å; E323-R386 IonicContact OE1-CZ 3.99Å; E323-R386 IonicContact OE1-NH1 2.76Å; E323-R386 PolarHBondContact OE1-NH1 3.44Å; E323-R386 IonicContact OE1-NH2 2.76Å; E323-R386 PolarHBondContact OE1-NH2 3.34Å; E323-R386 IonicContact OE2-CZ 3.55Å; E323-R386 IonicContact OE2-NH1 3.47Å; E323-R386 IonicContact OE2-NH2 2.8Å; E323-R386 PolarHBondContact OE2-NH2 3.41Å; L382-R386 HydrophobicContact CD1-CG 4.23Å; L382-R386 WeakPolarHBondContact O-CB 3.35Å; L382-R386 VanDerWaalsContact O-CG 3.29Å; L382-R386 WeakPolarHBondContact O-CG 3.36Å; L382-R386 PolarHBondContact O-N 3.44Å; Y383-R386 PolarHBondContact O-N 3.15Å; R386-G388 PolarHBondContact O-N 2.9Å
387K92.1Very high92.9Very high94 Ų9436.9 Ų36.941%0.40919%0.188SC..Hα-helixtrans-70.5-16.5174.1-76-69.9-175.5-177.80113.9Y383 F385Y383-K387 HydrophobicContact CD1-CG 4.48Å; Y383-K387 HydrophobicContact CE1-CG 4.04Å; Y383-K387 HydrophobicContact CE2-CG 4.09Å; Y383-K387 PolarHBondContact O-N 2.98Å; Y383-K387 VanDerWaalsContact OH-CE 3.32Å; Y383-K387 WeakPolarHBondContact OH-CE 3.06Å; F385-K387 PolarHBondContact O-N 3.46Å
388G91.4Very high92.6Very high3 Ų336.5 Ų36.53%0.03119%0.187CC..THydrogen-bonded Turntrans924.6179.200000114.9R138 N384 F385 R386R138-G388 PolarHBondContact NH2-O 3.16Å; N384-G388 PolarHBondContact O-N 3.46Å; F385-G388 PolarHBondContact O-N 3.32Å; F385-G388 VanDerWaalsContact O-N 3.1Å; R386-G388 PolarHBondContact O-N 2.9Å
389T91.9Very high92.1Very high64 Ų6437.1 Ų37.139%0.39319%0.192SC..SBendtrans-71.9-42.5176.5-42.10000111.6N384 T603N384-T389 PolarHBondContact O-N 3.41Å; T389-T603 HydrophobicContact CG2-CG2 3.86Å
390V93.4Very high91.6Very high0 Ų037.3 Ų37.30%018%0.179CC..SBendtrans-93131.4173.1172.40000109.4R138 L381 N384 F385 Y432 T603R138-V390 PolarHBondContact NH2-O 3.35Å; L381-V390 HydrophobicContact CD1-CG1 4.03Å; L381-V390 HydrophobicContact CD1-CG2 4.22Å; N384-V390 HydrophobicContact CB-CG2 3.83Å; N384-V390 PolarHBondContact O-N 2.86Å; N384-V390 VanDerWaalsContact O-N 3.11Å; F385-V390 HydrophobicContact CB-CB 4.42Å; V390-Y432 WeakPolarHBondContact CG1-OH 3.4Å; V390-T603 HydrophobicContact CG2-CG2 3.96Å
391F90.1Very high91.3Very high41 Ų4133.6 Ų33.618%0.1817%0.165CC..PPolyproline II helixtrans-87.7144.6-178.6-71-91.7000112.2R122 K123 K393 D600R122-F391 HydrophobicContact CG-CE1 4.16Å; K123-F391 HydrophobicContact CG-CE2 4.19Å; K123-F391 HydrophobicContact CG-CZ 3.76Å; F391-K393 PolarHBondContact O-NZ 2.72Å; F391-D600 PolarHBondContact N-OD1 3.42Å
392P89.6Confident91Very high32 Ų3234.9 Ų34.921%0.20817%0.173CC..PPolyproline II helixtrans-55.6146.8172.7-19.828.7000112.3F385 P394F385-P392 HydrophobicContact CE2-CB 4.12Å; F385-P392 HydrophobicContact CE2-CG 3.82Å; F385-P392 HydrophobicContact CZ-CG 4.46Å; P392-P394 WeakPolarHBondContact O-CD 3.46Å
393K90.2Very high90.8Very high7 Ų733.6 Ų33.63%0.0317%0.166CC..  trans-111.964.2177.7-54.1-59179.9-128.40112.2F391 S395 I396 Y397 D428 Y432 D600F391-K393 PolarHBondContact O-NZ 2.72Å; K393-S395 PolarHBondContact O-N 3.48Å; K393-I396 HydrophobicContact CB-CD1 4.16Å; K393-I396 HydrophobicContact CB-CG1 3.95Å; K393-I396 WeakPolarHBondContact O-CG1 3.45Å; K393-I396 PolarHBondContact O-N 3.4Å; K393-Y397 HydrophobicContact CB-CD2 4.26Å; K393-Y397 HydrophobicContact CB-CE2 4.16Å; K393-Y397 WeakPolarHBondContact O-CD2 3.26Å; K393-D428 WeakPolarHBondContact CD-OD2 3.32Å; K393-D428 VanDerWaalsContact CE-CG 3.48Å; K393-D428 WeakPolarHBondContact CE-OD1 3.36Å; K393-D428 WeakPolarHBondContact CE-OD2 3.05Å; K393-D428 IonicContact NZ-OD2 3.46Å; K393-D428 PolarHBondContact NZ-OD2 3.35Å; K393-Y432 HydrophobicContact CD-CD2 4.49Å; K393-Y432 HydrophobicContact CD-CE2 3.96Å; K393-Y432 HydrophobicContact CG-CD2 3.84Å; K393-Y432 HydrophobicContact CG-CE1 4.22Å; K393-Y432 HydrophobicContact CG-CE2 3.42Å; K393-Y432 VanDerWaalsContact CG-CE2 3.42Å; K393-Y432 HydrophobicContact CG-CG 4.39Å; K393-D600 IonicContact NZ-OD1 2.74Å; K393-D600 PolarHBondContact NZ-OD1 3.32Å; K393-D600 IonicContact NZ-OD2 3.16Å; K393-D600 PolarHBondContact NZ-OD2 3.26Å
394P88.7Confident90.7Very high39 Ų3928.3 Ų28.325%0.25315%0.146SC..Hα-helixtrans-58.7-21.8-176.726.1-36.1000113.4P392 I396 Y397 S398 V402P392-P394 WeakPolarHBondContact O-CD 3.46Å; P394-I396 VanDerWaalsContact C-N 3.32Å; P394-I396 PolarHBondContact O-N 3.11Å; P394-Y397 PolarHBondContact O-N 3.29Å; P394-S398 WeakPolarHBondContact O-CA 3.45Å; P394-S398 WeakPolarHBondContact O-CB 3.2Å; P394-S398 PolarHBondContact O-N 2.87Å; P394-V402 HydrophobicContact CB-CG2 4.29Å; P394-V402 HydrophobicContact CG-CB 4.41Å; P394-V402 HydrophobicContact CG-CG2 3.8Å
395S91.2Very high90.4Very high6 Ų630.2 Ų30.24%0.04215%0.153CC..Hα-helixtrans-58.9-38.5-179.2-41.50000113.7K393 V402 Y429K393-S395 PolarHBondContact O-N 3.48Å; S395-V402 WeakPolarHBondContact OG-CG1 3.21Å; S395-Y429 PolarHBondContact OG-OH 3.44Å
396I92.4Very high90.1Very high0 Ų031.3 Ų31.30%016%0.16CC..Hα-helixtrans-95.1-19-178.854166.6000113.1K393 P394 Y429 Y432 L445 G447 V452K393-I396 HydrophobicContact CB-CD1 4.16Å; K393-I396 HydrophobicContact CB-CG1 3.95Å; K393-I396 WeakPolarHBondContact O-CG1 3.45Å; K393-I396 PolarHBondContact O-N 3.4Å; P394-I396 VanDerWaalsContact C-N 3.32Å; P394-I396 PolarHBondContact O-N 3.11Å; I396-Y429 HydrophobicContact CG2-CD1 3.91Å; I396-Y429 HydrophobicContact CG2-CG 3.95Å; I396-Y432 HydrophobicContact CD1-CD1 4.18Å; I396-Y432 HydrophobicContact CD1-CD2 4.49Å; I396-Y432 HydrophobicContact CD1-CG 3.74Å; I396-L445 HydrophobicContact CB-CD2 4.26Å; I396-L445 HydrophobicContact CD1-CD2 4.06Å; I396-L445 CarbonylContact O-C 3.56Å; I396-L445 VanDerWaalsContact O-C 3.32Å; I396-L445 WeakPolarHBondContact O-CA 3.25Å; I396-G447 WeakPolarHBondContact O-CA 3.45Å; I396-G447 PolarHBondContact O-N 3.35Å; I396-V452 HydrophobicContact CG2-CG2 3.68Å
397Y90.8Very high90.1Very high0 Ų030.4 Ų30.40%016%0.157CC..Hα-helixtrans-102.2-6.6-179.6-60.3-64.7000112.9M82 Y373 W377 K393 P394 Y432 E436 K444 L445 V446M82-Y397 WeakPolarHBondContact CE-O 3.32Å; Y373-Y397 HydrophobicContact CD2-CD1 4.22Å; Y373-Y397 AromaticContact CD2-CD2 3.62Å; Y373-Y397 HydrophobicContact CD2-CD2 3.62Å; Y373-Y397 HydrophobicContact CD2-CE1 4.31Å; Y373-Y397 AromaticContact CD2-CE2 3.75Å; Y373-Y397 HydrophobicContact CD2-CE2 3.75Å; Y373-Y397 AromaticContact CD2-CG 3.9Å; Y373-Y397 HydrophobicContact CD2-CG 3.9Å; Y373-Y397 HydrophobicContact CE2-CD2 4.06Å; Y373-Y397 HydrophobicContact CE2-CE2 4.22Å; Y373-Y397 HydrophobicContact CG-CD1 4.22Å; Y373-Y397 HydrophobicContact CG-CD2 4.18Å; Y373-Y397 AromaticContact CG-CG 3.99Å; Y373-Y397 HydrophobicContact CG-CG 3.99Å; W377-Y397 AromaticContact CZ2-CE2 3.97Å; W377-Y397 HydrophobicContact CZ2-CE2 3.97Å; W377-Y397 AromaticContact CZ2-CZ 3.93Å; W377-Y397 WeakPolarHBondContact CZ2-OH 3.11Å; K393-Y397 HydrophobicContact CB-CD2 4.26Å; K393-Y397 HydrophobicContact CB-CE2 4.16Å; K393-Y397 WeakPolarHBondContact O-CD2 3.26Å; P394-Y397 PolarHBondContact O-N 3.29Å; Y397-Y432 HydrophobicContact CE2-CD1 4.32Å; Y397-Y432 WeakPolarHBondContact OH-CD1 3.35Å; Y397-E436 HydrophobicContact CE1-CG 4.49Å; Y397-E436 PolarHBondContact OH-OE1 2.88Å; Y397-K444 HydrophobicContact CD1-CB 4.35Å; Y397-K444 WeakPolarHBondContact CD1-O 3.42Å; Y397-K444 HydrophobicContact CE1-CB 4.15Å; Y397-L445 HydrophobicContact CE1-CD2 4.12Å; Y397-V446 WeakPolarHBondContact O-CG2 3.42Å
398S87.9Confident90Very high4 Ų426 Ų263%0.02814%0.138CC..  trans-110116.3179.5-165.90000111.7D81 N84 P394 R400 G401 G447D81-S398 PolarHBondContact O-OG 2.84Å; N84-S398 WeakPolarHBondContact CB-OG 3.4Å; P394-S398 WeakPolarHBondContact O-CA 3.45Å; P394-S398 WeakPolarHBondContact O-CB 3.2Å; P394-S398 PolarHBondContact O-N 2.87Å; S398-R400 PolarHBondContact O-N 2.75Å; S398-G401 PolarHBondContact O-N 2.98Å; S398-G447 VanDerWaalsContact O-CA 3.26Å; S398-G447 WeakPolarHBondContact O-CA 3.36Å
399S86.4Confident90Very high54 Ų5426.7 Ų26.738%0.37814%0.14SC..THydrogen-bonded Turntrans-60.2-15.4-174570000116.1M82 V446M82-S399 WeakPolarHBondContact O-CB 3.41Å; M82-S399 PolarHBondContact O-N 3.03Å; M82-S399 PolarHBondContact O-OG 3.08Å; S399-V446 WeakPolarHBondContact CA-O 3Å
400R85.3Confident90Very high117 Ų11724.5 Ų24.544%0.44213%0.126SC..THydrogen-bonded Turntrans-115.715.4177.4-46.7-178.6166.5171.4-7.3113.4K83 N84 L87 S398 Y455K83-R400 WeakPolarHBondContact O-CD 3.45Å; K83-R400 PolarHBondContact O-NE 2.95Å; N84-R400 HydrophobicContact CB-CB 3.82Å; N84-R400 HydrophobicContact CB-CG 4.1Å; L87-R400 HydrophobicContact CD1-CB 4.22Å; L87-R400 HydrophobicContact CD2-CB 4.09Å; S398-R400 PolarHBondContact O-N 2.75Å; R400-Y455 WeakPolarHBondContact O-CE2 3.49Å; R400-Y455 PolarHBondContact O-OH 2.91Å
401G88.6Confident89.8Confident2 Ų225.6 Ų25.62%0.02113%0.133CC..  trans78.8-174.8-179.800000115N84 S398 I453N84-G401 PolarHBondContact ND2-O 3.01Å; S398-G401 PolarHBondContact O-N 2.98Å; G401-I453 CarbonylContact C-O 3.58Å; G401-I453 WeakPolarHBondContact CA-O 3.38Å
402V90Very high89.7Confident28 Ų2832.6 Ų32.617%0.1716%0.164CC..EExtended strand (participates in β ladder)trans-126.6143.1-177.1700000112P394 S395 L404 I453 E454 Y455P394-V402 HydrophobicContact CB-CG2 4.29Å; P394-V402 HydrophobicContact CG-CB 4.41Å; P394-V402 HydrophobicContact CG-CG2 3.8Å; S395-V402 WeakPolarHBondContact OG-CG1 3.21Å; V402-L404 HydrophobicContact CG1-CD2 4.32Å; V402-I453 PolarHBondContact N-O 3.11Å; V402-E454 HydrophobicContact CG1-CG 4.29Å; V402-E454 CarbonylContact O-C 3.39Å; V402-E454 WeakPolarHBondContact O-CA 2.92Å; V402-Y455 WeakPolarHBondContact O-CD2 3.15Å; V402-Y455 PolarHBondContact O-N 3.33Å
403F90.5Very high89.7Confident24 Ų2431.5 Ų31.511%0.10516%0.157CC..EExtended strand (participates in β ladder)trans-83121.3165.8-68-87.7000109.3L87 K90 Q91 E94 Y455 L462L87-F403 HydrophobicContact CD1-CD2 4.48Å; L87-F403 HydrophobicContact CD1-CE2 3.46Å; L87-F403 VanDerWaalsContact CD1-CE2 3.46Å; L87-F403 HydrophobicContact CD1-CZ 3.86Å; L87-F403 HydrophobicContact CG-CE2 4.24Å; L87-F403 HydrophobicContact CG-CZ 4.42Å; K90-F403 HydrophobicContact CB-CD2 3.54Å; K90-F403 HydrophobicContact CB-CE2 3.51Å; K90-F403 HydrophobicContact CB-CG 4.37Å; K90-F403 HydrophobicContact CB-CZ 4.39Å; K90-F403 HydrophobicContact CD-CD2 3.98Å; K90-F403 HydrophobicContact CD-CE2 4.37Å; K90-F403 HydrophobicContact CG-CD2 4.4Å; Q91-F403 HydrophobicContact CB-CE1 4.07Å; Q91-F403 HydrophobicContact CB-CE2 4.5Å; Q91-F403 HydrophobicContact CB-CZ 3.61Å; Q91-F403 HydrophobicContact CG-CE1 4.27Å; Q91-F403 HydrophobicContact CG-CZ 4.15Å; E94-F403 HydrophobicContact CB-CD1 4.35Å; E94-F403 HydrophobicContact CG-CB 4.16Å; E94-F403 HydrophobicContact CG-CD1 3.97Å; E94-F403 HydrophobicContact CG-CG 4.14Å; F403-Y455 HydrophobicContact CD1-CD2 4.03Å; F403-Y455 AromaticContact CD1-CG 3.87Å; F403-Y455 HydrophobicContact CD1-CG 3.87Å; F403-Y455 HydrophobicContact CD2-CD2 4.11Å; F403-Y455 VanDerWaalsContact CE1-CB 3.44Å; F403-Y455 HydrophobicContact CE1-CD1 4.14Å; F403-Y455 AromaticContact CE1-CD2 3.8Å; F403-Y455 HydrophobicContact CE1-CD2 3.8Å; F403-Y455 AromaticContact CE1-CG 3.52Å; F403-Y455 HydrophobicContact CE1-CG 3.52Å; F403-Y455 AromaticContact CE2-CD2 3.96Å; F403-Y455 HydrophobicContact CE2-CD2 3.96Å; F403-Y455 HydrophobicContact CE2-CE2 4.29Å; F403-Y455 HydrophobicContact CG-CD2 4.14Å; F403-Y455 HydrophobicContact CG-CG 4.42Å; F403-Y455 HydrophobicContact CZ-CD1 4.38Å; F403-Y455 AromaticContact CZ-CD2 3.75Å; F403-Y455 HydrophobicContact CZ-CD2 3.75Å; F403-Y455 HydrophobicContact CZ-CE2 4.18Å; F403-Y455 AromaticContact CZ-CG 3.88Å; F403-Y455 HydrophobicContact CZ-CG 3.88Å; F403-L462 HydrophobicContact CD1-CD1 4.49Å; F403-L462 HydrophobicContact CD1-CD2 4.18Å; F403-L462 HydrophobicContact CE1-CD2 3.7Å; F403-L462 HydrophobicContact CE1-CG 4.48Å
404L92.4Very high89.6Confident25 Ų2533.6 Ų33.613%0.13117%0.171CC..PPolyproline II helixtrans-65.2149.2167.3-56.9-173.9000109V402 T406 Y418 E454 Y455V402-L404 HydrophobicContact CG1-CD2 4.32Å; L404-T406 PolarHBondContact O-N 3.29Å; L404-Y418 HydrophobicContact CB-CD2 3.72Å; L404-Y418 HydrophobicContact CB-CE2 3.6Å; L404-Y418 HydrophobicContact CB-CG 4.26Å; L404-Y418 HydrophobicContact CD1-CD1 4.07Å; L404-Y418 HydrophobicContact CD1-CD2 3.63Å; L404-Y418 HydrophobicContact CD1-CE2 4.34Å; L404-Y418 HydrophobicContact CD1-CG 3.47Å; L404-Y418 VanDerWaalsContact CD1-CG 3.47Å; L404-Y418 HydrophobicContact CG-CD2 4.33Å; L404-Y418 HydrophobicContact CG-CG 4.46Å; L404-E454 HydrophobicContact CD2-CG 4.29Å; L404-E454 HydrophobicContact CG-CB 4.39Å; L404-Y455 PolarHBondContact N-O 3.45Å
405K88.5Confident89.6Confident71 Ų7132.9 Ų32.931%0.30917%0.165SC..PPolyproline II helixtrans-68.8127.7-170.2-178.5-172-170-175.40110.1L117 S118 L119 V407 Y418L117-K405 VanDerWaalsContact CG-NZ 3.28Å; L117-K405 WeakPolarHBondContact O-CE 3.38Å; L117-K405 PolarHBondContact O-NZ 3.45Å; S118-K405 PolarHBondContact O-NZ 2.92Å; L119-K405 HydrophobicContact CD2-CD 4.41Å; K405-V407 PolarHBondContact O-N 3.29Å; K405-Y418 WeakPolarHBondContact CB-OH 3.25Å; K405-Y418 PolarHBondContact N-OH 3.09Å; K405-Y418 WeakPolarHBondContact O-CE2 3.44Å; K405-Y418 PolarHBondContact O-OH 2.91Å
406T88.2Confident89.7Confident22 Ų2233 Ų3314%0.13517%0.166CC..PPolyproline II helixtrans-61127.3171.4-650000110.5E94 L97 V116 L404E94-T406 WeakPolarHBondContact OE2-CB 3.49Å; E94-T406 PolarHBondContact OE2-OG1 3.48Å; L97-T406 HydrophobicContact CB-CG2 4.33Å; V116-T406 HydrophobicContact CG1-CG2 4.33Å; L404-T406 PolarHBondContact O-N 3.29Å
407V91.8Very high89.8Confident6 Ų633 Ų334%0.03617%0.166CC..  trans-128.7175.3172.7-630000109.3L119 K405 E409 V417 N589L119-V407 HydrophobicContact CD1-CG1 4.35Å; L119-V407 HydrophobicContact CD2-CG1 3.73Å; L119-V407 HydrophobicContact CG-CG1 3.79Å; K405-V407 PolarHBondContact O-N 3.29Å; V407-E409 HydrophobicContact CG2-CG 3.83Å; V407-E409 PolarHBondContact O-N 2.83Å; V407-V417 HydrophobicContact CG2-CG1 4.36Å; V407-V417 HydrophobicContact CG2-CG2 3.54Å; V407-N589 HydrophobicContact CG2-CB 4.42Å
408V91.1Very high90Very high0 Ų033.9 Ų33.90%017%0.169CC..  trans-75.2123.7172.7-175.50000109.6G45 L105 V113 V116 Y580 V585 N589G45-V408 WeakPolarHBondContact O-CG2 3.35Å; L105-V408 HydrophobicContact CD1-CG1 4.21Å; V113-V408 HydrophobicContact CG1-CG2 4.06Å; V116-V408 HydrophobicContact CG2-CG2 4.04Å; V408-Y580 VanDerWaalsContact CG1-OH 3.23Å; V408-Y580 WeakPolarHBondContact CG1-OH 3.48Å; V408-V585 HydrophobicContact CB-CG1 4.05Å; V408-V585 HydrophobicContact CG1-CG1 4.08Å; V408-N589 PolarHBondContact O-ND2 3.01Å
409E91.7Very high90.3Very high18 Ų1834.8 Ų34.88%0.08417%0.173CC..  trans-131.9150.5-176.9-55.6-167.7-137.700110.1L105 V407 P411 S416 V417 R457 H586L105-E409 WeakPolarHBondContact CD1-O 3.4Å; V407-E409 HydrophobicContact CG2-CG 3.83Å; V407-E409 PolarHBondContact O-N 2.83Å; E409-P411 WeakPolarHBondContact O-CD 3.27Å; E409-S416 PolarHBondContact OE1-OG 2.88Å; E409-S416 WeakPolarHBondContact OE2-CA 3.47Å; E409-S416 WeakPolarHBondContact OE2-CB 3.43Å; E409-S416 PolarHBondContact OE2-OG 3.19Å; E409-V417 HydrophobicContact CG-CG1 3.89Å; E409-V417 PolarHBondContact OE2-N 3.35Å; E409-R457 IonicContact OE1-NE 2.8Å; E409-R457 IonicContact OE2-CZ 2.76Å; E409-R457 IonicContact OE2-NE 3.24Å; E409-R457 PolarHBondContact OE2-NE 3.35Å; E409-R457 IonicContact OE2-NH2 3.45Å; E409-R457 PolarHBondContact OE2-NH2 2.97Å; E409-H586 IonicContact OE2-CE1 2.72Å
410D91.2Very high90.6Very high19 Ų1932.6 Ų32.610%0.10216%0.157CC..  trans-70.5120.2173.8178.715.8000110.8K412 C413 R457 A582 D583 H586D410-K412 PolarHBondContact O-N 2.8Å; D410-K412 WeakPolarHBondContact OD1-CB 3.08Å; D410-K412 PolarHBondContact OD1-N 3.26Å; D410-C413 HydrophobicContact CB-CB 3.99Å; D410-C413 PolarHBondContact O-N 3.48Å; D410-C413 PolarHBondContact OD2-N 2.83Å; D410-R457 PolarHBondContact O-NH2 3.44Å; D410-A582 HydrophobicContact CB-CB 4.29Å; D410-D583 HydrophobicContact CB-CB 4.4Å; D410-H586 HydrophobicContact CB-CB 3.86Å; D410-H586 PolarHBondContact N-ND1 3.43Å
411P88.7Confident91.1Very high23 Ų2327 Ų2715%0.14914%0.136CC..THydrogen-bonded Turntrans-65.5-21.1176.228-36.1000113I102 L105 E409I102-P411 HydrophobicContact CG2-CB 4.4Å; L105-P411 HydrophobicContact CB-CG 4.03Å; E409-P411 WeakPolarHBondContact O-CD 3.27Å
412K88.2Confident91.3Very high187 Ų18727.1 Ų27.181%0.81314%0.136SC*.THydrogen-bonded Turntrans-78.3-25.1176.2-60.3-179.2-179.21790112.4D410 P414D410-K412 PolarHBondContact O-N 2.8Å; D410-K412 WeakPolarHBondContact OD1-CB 3.08Å; D410-K412 PolarHBondContact OD1-N 3.26Å; K412-P414 WeakPolarHBondContact O-CD 3.19Å
413C89.4Confident91.5Very high9 Ų927 Ų276%0.06113%0.134CC..  trans-76.7120.7175.3-177.10000109.7D410 L415 R457D410-C413 HydrophobicContact CB-CB 3.99Å; D410-C413 PolarHBondContact O-N 3.48Å; D410-C413 PolarHBondContact OD2-N 2.83Å; C413-L415 PolarHBondContact O-N 3.16Å; C413-L415 PolarHBondContact SG-O 2.96Å; C413-R457 VanDerWaalsContact O-CZ 3.32Å; C413-R457 PolarHBondContact O-NH1 3.31Å; C413-R457 PolarHBondContact O-NH2 3.26Å
414P87.9Confident91.8Very high52 Ų5225.9 Ų25.934%0.33813%0.129SC..SBendtrans-68.2-23.3-178.626.2-33.8000112.9K412 Q458 N459K412-P414 WeakPolarHBondContact O-CD 3.19Å; P414-Q458 CarbonylContact O-C 3.32Å; P414-Q458 WeakPolarHBondContact O-CA 3.44Å; P414-Q458 WeakPolarHBondContact O-CG 3.44Å; P414-N459 VanDerWaalsContact CA-OD1 3.31Å; P414-N459 WeakPolarHBondContact CA-OD1 3.29Å; P414-N459 WeakPolarHBondContact CB-OD1 3.4Å; P414-N459 PolarHBondContact O-N 2.52Å
415L89.3Confident92Very high24 Ų2425.5 Ų25.513%0.12613%0.126CC..BIsolated β-bridgetrans-105.4145.8-171.9-62.5169.4000111.3C413 K419 R457 T521 H586C413-L415 PolarHBondContact O-N 3.16Å; C413-L415 PolarHBondContact SG-O 2.96Å; L415-K419 HydrophobicContact CB-CB 4.25Å; L415-K419 HydrophobicContact CB-CG 4.37Å; L415-K419 HydrophobicContact CD1-CG 4.17Å; L415-R457 PolarHBondContact O-NH2 3.02Å; L415-T521 HydrophobicContact CD1-CG2 3.7Å; L415-H586 PolarHBondContact O-CE1 2.77Å
416S93.3Very high92.3Very high8 Ų824.4 Ų24.46%0.05612%0.12CC..  trans-72.1155.8175.8179.40000112.8E409 Y418 K419 T456 R457E409-S416 PolarHBondContact OE1-OG 2.88Å; E409-S416 WeakPolarHBondContact OE2-CA 3.47Å; E409-S416 WeakPolarHBondContact OE2-CB 3.43Å; E409-S416 PolarHBondContact OE2-OG 3.19Å; S416-Y418 PolarHBondContact O-N 2.82Å; S416-Y418 WeakPolarHBondContact OG-CD2 3.17Å; S416-K419 WeakPolarHBondContact O-CB 3.45Å; S416-K419 PolarHBondContact O-N 3.01Å; S416-T456 WeakPolarHBondContact CB-OG1 3.06Å; S416-T456 PolarHBondContact OG-OG1 3Å; S416-R457 VanDerWaalsContact CB-O 3.32Å; S416-R457 WeakPolarHBondContact CB-O 3.3Å
417V95Very high92.7Very high1 Ų123.4 Ų23.41%0.00611%0.114CC..G310 helixtrans-53.7-24.7172.8-59.60000113V407 E409 K419 T420 H586 N589 A590V407-V417 HydrophobicContact CG2-CG1 4.36Å; V407-V417 HydrophobicContact CG2-CG2 3.54Å; E409-V417 HydrophobicContact CG-CG1 3.89Å; E409-V417 PolarHBondContact OE2-N 3.35Å; V417-K419 PolarHBondContact O-N 3.31Å; V417-T420 PolarHBondContact O-OG1 3.39Å; V417-H586 HydrophobicContact CG1-CB 4.49Å; V417-H586 WeakPolarHBondContact CG1-ND1 3.32Å; V417-H586 WeakPolarHBondContact CG1-O 3.31Å; V417-H586 PolarHBondContact N-CE1 3.4Å; V417-N589 HydrophobicContact CB-CB 4.4Å; V417-N589 HydrophobicContact CG1-CB 3.94Å; V417-A590 HydrophobicContact CB-CB 4.06Å; V417-A590 HydrophobicContact CG1-CB 4.48Å
418Y95.1Very high92.9Very high17 Ų1723.5 Ų23.57%0.06711%0.114CC..G310 helixtrans-75.7-7.8178.4-64.7-66.7000113.7L119 L404 K405 S416 S421 L422 R425 S593L119-Y418 HydrophobicContact CD2-CE1 4.2Å; L119-Y418 VanDerWaalsContact CD2-OH 3.27Å; L119-Y418 WeakPolarHBondContact CD2-OH 3.42Å; L404-Y418 HydrophobicContact CB-CD2 3.72Å; L404-Y418 HydrophobicContact CB-CE2 3.6Å; L404-Y418 HydrophobicContact CB-CG 4.26Å; L404-Y418 HydrophobicContact CD1-CD1 4.07Å; L404-Y418 HydrophobicContact CD1-CD2 3.63Å; L404-Y418 HydrophobicContact CD1-CE2 4.34Å; L404-Y418 HydrophobicContact CD1-CG 3.47Å; L404-Y418 VanDerWaalsContact CD1-CG 3.47Å; L404-Y418 HydrophobicContact CG-CD2 4.33Å; L404-Y418 HydrophobicContact CG-CG 4.46Å; K405-Y418 WeakPolarHBondContact CB-OH 3.25Å; K405-Y418 PolarHBondContact N-OH 3.09Å; K405-Y418 WeakPolarHBondContact O-CE2 3.44Å; K405-Y418 PolarHBondContact O-OH 2.91Å; S416-Y418 PolarHBondContact O-N 2.82Å; S416-Y418 WeakPolarHBondContact OG-CD2 3.17Å; Y418-S421 PolarHBondContact O-N 2.87Å; Y418-S421 PolarHBondContact O-OG 2.59Å; Y418-L422 PolarHBondContact O-N 3.36Å; Y418-R425 PolarHBondContact O-NH1 3.49Å; Y418-R425 PolarHBondContact O-NH2 3.38Å; Y418-S593 WeakPolarHBondContact CD1-OG 3.45Å
419K92.9Very high93.2Very high24 Ų2424 Ų2410%0.10412%0.116CC..G310 helixtrans-63.5-41.5177.8177.861.7175.4172.20111.5L415 S416 V417 S421 L422 T521 S699 Y703L415-K419 HydrophobicContact CB-CB 4.25Å; L415-K419 HydrophobicContact CB-CG 4.37Å; L415-K419 HydrophobicContact CD1-CG 4.17Å; S416-K419 WeakPolarHBondContact O-CB 3.45Å; S416-K419 PolarHBondContact O-N 3.01Å; V417-K419 PolarHBondContact O-N 3.31Å; K419-S421 VanDerWaalsContact C-N 3.27Å; K419-S421 PolarHBondContact O-N 3.16Å; K419-L422 VanDerWaalsContact O-CB 3.28Å; K419-L422 WeakPolarHBondContact O-CB 3Å; K419-L422 PolarHBondContact O-N 3.17Å; K419-T521 HydrophobicContact CG-CG2 4.19Å; K419-S699 PolarHBondContact NZ-OG 2.85Å; K419-S699 VanDerWaalsContact NZ-OG 3.08Å; K419-Y703 VanDerWaalsContact NZ-CZ 3.25Å; K419-Y703 PolarHBondContact NZ-OH 3.22Å
420T93.3Very high93.4Very high7 Ų723.8 Ų23.84%0.04312%0.115CC..THydrogen-bonded Turntrans-70.3-23-177.158.10000113.3V417 F513 Q517 L518 A590 T594V417-T420 PolarHBondContact O-OG1 3.39Å; T420-F513 WeakPolarHBondContact O-CE1 3.16Å; T420-Q517 HydrophobicContact CG2-CB 4.22Å; T420-L518 HydrophobicContact CG2-CD2 3.94Å; T420-A590 HydrophobicContact CG2-CB 4.44Å; T420-T594 PolarHBondContact OG1-OG1 2.92Å
421S95.3Very high93.7Very high0 Ų022.9 Ų22.90%011%0.111CC..THydrogen-bonded Turntrans-98.33.117855.20000113.4Y418 K419 L423 I424 R425 S593Y418-S421 PolarHBondContact O-N 2.87Å; Y418-S421 PolarHBondContact O-OG 2.59Å; K419-S421 VanDerWaalsContact C-N 3.27Å; K419-S421 PolarHBondContact O-N 3.16Å; S421-L423 PolarHBondContact O-N 2.71Å; S421-I424 PolarHBondContact O-N 3.03Å; S421-R425 PolarHBondContact O-N 3.35Å; S421-R425 PolarHBondContact O-NH1 2.85Å; S421-R425 PolarHBondContact OG-NH1 3.17Å; S421-S593 PolarHBondContact OG-OG 3.09Å
422L94.4Very high94.1Very high4 Ų421.9 Ų21.92%0.02110%0.104CC..Hα-helixtrans-57.1-48-174176.566.4000113Y418 K419 I424 R425 R426 I467 Y703Y418-L422 PolarHBondContact O-N 3.36Å; K419-L422 VanDerWaalsContact O-CB 3.28Å; K419-L422 WeakPolarHBondContact O-CB 3Å; K419-L422 PolarHBondContact O-N 3.17Å; L422-I424 VanDerWaalsContact C-N 3.28Å; L422-I424 PolarHBondContact O-N 3Å; L422-R425 PolarHBondContact O-N 2.66Å; L422-R426 WeakPolarHBondContact O-CB 3.43Å; L422-R426 PolarHBondContact O-N 2.87Å; L422-I467 HydrophobicContact CD1-CD1 3.67Å; L422-I467 HydrophobicContact CD1-CG1 4.26Å; L422-Y703 HydrophobicContact CD2-CD1 3.44Å; L422-Y703 VanDerWaalsContact CD2-CD1 3.44Å; L422-Y703 HydrophobicContact CD2-CE1 3.67Å; L422-Y703 HydrophobicContact CD2-CG 4.25Å
423L93.9Very high94.5Very high25 Ų2513.3 Ų13.313%0.1317%0.067CC..Hα-helixtrans-65-34.6-178-64.8-179.4000112.1S421 R426 L427 L489 F513 F702S421-L423 PolarHBondContact O-N 2.71Å; L423-R426 PolarHBondContact O-N 3.42Å; L423-L427 PolarHBondContact O-N 3.33Å; L423-L489 HydrophobicContact CB-CD2 4.46Å; L423-F513 HydrophobicContact CB-CZ 4.15Å; L423-F513 HydrophobicContact CD1-CZ 4.49Å; L423-F702 HydrophobicContact CD2-CD1 3.7Å; L423-F702 HydrophobicContact CD2-CD2 4.22Å; L423-F702 HydrophobicContact CD2-CE1 3.84Å; L423-F702 HydrophobicContact CD2-CE2 4.36Å; L423-F702 HydrophobicContact CD2-CG 3.9Å; L423-F702 HydrophobicContact CD2-CZ 4.18Å
424I96.5Very high94.8Very high1 Ų113 Ų131%0.0057%0.065CC..Hα-helixtrans-68.9-46.4175.9-57.7168000110.2S421 L422 R426 L427 D428 L489 F513 T594 S597 L598 V601S421-I424 PolarHBondContact O-N 3.03Å; L422-I424 VanDerWaalsContact C-N 3.28Å; L422-I424 PolarHBondContact O-N 3Å; I424-R426 VanDerWaalsContact C-N 3.29Å; I424-R426 PolarHBondContact O-N 3.37Å; I424-L427 PolarHBondContact O-N 3.46Å; I424-D428 PolarHBondContact O-N 2.86Å; I424-L489 HydrophobicContact CG1-CD1 3.97Å; I424-L489 HydrophobicContact CG1-CD2 4.21Å; I424-F513 HydrophobicContact CD1-CD1 3.82Å; I424-F513 HydrophobicContact CD1-CE1 3.63Å; I424-F513 HydrophobicContact CD1-CG 4.48Å; I424-F513 HydrophobicContact CD1-CZ 4.17Å; I424-F513 HydrophobicContact CG1-CD1 4.43Å; I424-F513 HydrophobicContact CG1-CE1 3.78Å; I424-F513 HydrophobicContact CG1-CZ 3.86Å; I424-T594 HydrophobicContact CD1-CG2 3.78Å; I424-S597 VanDerWaalsContact CG2-C 3.49Å; I424-S597 WeakPolarHBondContact CG2-O 3.47Å; I424-L598 HydrophobicContact CD1-CB 4.27Å; I424-V601 HydrophobicContact CG2-CB 4.38Å; I424-V601 HydrophobicContact CG2-CG2 3.76Å
425R95.8Very high95.2Very high18 Ų1810.7 Ų10.77%0.0685%0.05CC..Hα-helixtrans-61.9-38.3175.5-67.6-162.3-50.1-72.52.1112.2Y418 S421 L422 D428 Y429 E454Y418-R425 PolarHBondContact O-NH1 3.49Å; Y418-R425 PolarHBondContact O-NH2 3.38Å; S421-R425 PolarHBondContact O-N 3.35Å; S421-R425 PolarHBondContact O-NH1 2.85Å; S421-R425 PolarHBondContact OG-NH1 3.17Å; L422-R425 PolarHBondContact O-N 2.66Å; R425-D428 WeakPolarHBondContact O-CB 3.46Å; R425-D428 PolarHBondContact O-N 2.89Å; R425-Y429 HydrophobicContact CB-CE2 4.31Å; R425-Y429 VanDerWaalsContact O-CD2 3.29Å; R425-Y429 WeakPolarHBondContact O-CD2 3.45Å; R425-Y429 VanDerWaalsContact O-CG 3.26Å; R425-Y429 PolarHBondContact O-N 2.93Å; R425-E454 IonicContact CZ-OE1 2.59Å; R425-E454 IonicContact CZ-OE2 2.6Å; R425-E454 IonicContact NE-OE1 3.41Å; R425-E454 PolarHBondContact NE-OE1 3.43Å; R425-E454 IonicContact NE-OE2 2.92Å; R425-E454 PolarHBondContact NE-OE2 3.03Å; R425-E454 IonicContact NH2-OE1 2.64Å; R425-E454 IonicContact NH2-OE2 3.52Å; R425-E454 PolarHBondContact NH2-OE2 3.43Å
426R95.5Very high95.5Very high47 Ų479.5 Ų9.518%0.1774%0.044CC..Hα-helixtrans-62.4-47.1175.2-179.3173169.7-96.85110.9L422 L423 I424 D428 Y429 Q430 I467 P468L422-R426 WeakPolarHBondContact O-CB 3.43Å; L422-R426 PolarHBondContact O-N 2.87Å; L423-R426 PolarHBondContact O-N 3.42Å; I424-R426 VanDerWaalsContact C-N 3.29Å; I424-R426 PolarHBondContact O-N 3.37Å; R426-D428 VanDerWaalsContact C-N 3.28Å; R426-D428 PolarHBondContact O-N 2.81Å; R426-Y429 WeakPolarHBondContact O-CB 3.11Å; R426-Y429 PolarHBondContact O-N 3.5Å; R426-Y429 VanDerWaalsContact O-N 3.13Å; R426-Q430 VanDerWaalsContact O-CG 3.3Å; R426-Q430 WeakPolarHBondContact O-CG 3.48Å; R426-Q430 PolarHBondContact O-N 3.36Å; R426-I467 HydrophobicContact CB-CG2 4.34Å; R426-I467 HydrophobicContact CG-CG2 4.09Å; R426-P468 PolarHBondContact NE-O 3.2Å
427L96.3Very high95.6Very high1 Ų110.1 Ų10.11%0.0055%0.048CC..Hα-helixtrans-57.3-42.8174.3175.556.2000111.5L423 I424 Y429 Q430 I431 I472 I485 N488 L489 V601L423-L427 PolarHBondContact O-N 3.33Å; I424-L427 PolarHBondContact O-N 3.46Å; L427-Y429 VanDerWaalsContact C-N 3.32Å; L427-Y429 PolarHBondContact O-N 2.76Å; L427-Q430 WeakPolarHBondContact O-CB 3.09Å; L427-Q430 PolarHBondContact O-N 3.07Å; L427-Q430 VanDerWaalsContact O-N 3.11Å; L427-I431 HydrophobicContact CD1-CD1 4.07Å; L427-I431 HydrophobicContact CD1-CG1 4.13Å; L427-I431 HydrophobicContact CG-CD1 3.91Å; L427-I431 HydrophobicContact CG-CG1 4.48Å; L427-I431 WeakPolarHBondContact O-CD1 3.24Å; L427-I431 WeakPolarHBondContact O-CG1 3.36Å; L427-I431 PolarHBondContact O-N 3.43Å; L427-I472 HydrophobicContact CD1-CD1 3.74Å; L427-I485 HydrophobicContact CD2-CD1 4.15Å; L427-N488 HydrophobicContact CD1-CB 3.54Å; L427-N488 HydrophobicContact CD2-CB 3.88Å; L427-N488 HydrophobicContact CG-CB 4.3Å; L427-L489 HydrophobicContact CB-CD2 4.24Å; L427-L489 HydrophobicContact CD2-CD1 4.32Å; L427-L489 HydrophobicContact CD2-CD2 3.81Å; L427-L489 HydrophobicContact CD2-CG 3.78Å; L427-V601 HydrophobicContact CD2-CG1 4.33Å; L427-V601 HydrophobicContact CG-CG1 4.43Å
428D96.2Very high95.6Very high8 Ų813.5 Ų13.54%0.0437%0.071CC..Hα-helixtrans-52.7-50173.9-157.410.7000111.3K393 I424 R425 R426 Q430 I431 Y432 V601K393-D428 WeakPolarHBondContact CD-OD2 3.32Å; K393-D428 VanDerWaalsContact CE-CG 3.48Å; K393-D428 WeakPolarHBondContact CE-OD1 3.36Å; K393-D428 WeakPolarHBondContact CE-OD2 3.05Å; K393-D428 IonicContact NZ-OD2 3.46Å; K393-D428 PolarHBondContact NZ-OD2 3.35Å; I424-D428 PolarHBondContact O-N 2.86Å; R425-D428 WeakPolarHBondContact O-CB 3.46Å; R425-D428 PolarHBondContact O-N 2.89Å; R426-D428 VanDerWaalsContact C-N 3.28Å; R426-D428 PolarHBondContact O-N 2.81Å; D428-Q430 VanDerWaalsContact C-N 3.35Å; D428-Q430 PolarHBondContact O-N 3.49Å; D428-I431 PolarHBondContact O-N 2.99Å; D428-Y432 WeakPolarHBondContact O-CD2 3.39Å; D428-Y432 PolarHBondContact O-N 3.13Å; D428-V601 HydrophobicContact CB-CG2 3.46Å; D428-V601 VanDerWaalsContact CB-CG2 3.46Å
429Y97Very high95.5Very high11 Ų1115.5 Ų15.54%0.0438%0.083CC..Hα-helixtrans-62-41.8176.9-54.7-29.3000112.4S395 I396 R425 R426 L427 I431 Y432 V433 V452 E454 V469S395-Y429 PolarHBondContact OG-OH 3.44Å; I396-Y429 HydrophobicContact CG2-CD1 3.91Å; I396-Y429 HydrophobicContact CG2-CG 3.95Å; R425-Y429 HydrophobicContact CB-CE2 4.31Å; R425-Y429 VanDerWaalsContact O-CD2 3.29Å; R425-Y429 WeakPolarHBondContact O-CD2 3.45Å; R425-Y429 VanDerWaalsContact O-CG 3.26Å; R425-Y429 PolarHBondContact O-N 2.93Å; R426-Y429 WeakPolarHBondContact O-CB 3.11Å; R426-Y429 PolarHBondContact O-N 3.5Å; R426-Y429 VanDerWaalsContact O-N 3.13Å; L427-Y429 VanDerWaalsContact C-N 3.32Å; L427-Y429 PolarHBondContact O-N 2.76Å; Y429-I431 VanDerWaalsContact C-N 3.31Å; Y429-I431 PolarHBondContact O-N 2.66Å; Y429-Y432 PolarHBondContact O-N 2.9Å; Y429-V433 VanDerWaalsContact O-CG2 3.31Å; Y429-V433 WeakPolarHBondContact O-CG2 3.24Å; Y429-V433 PolarHBondContact O-N 3.48Å; Y429-V452 HydrophobicContact CD2-CB 4.37Å; Y429-V452 HydrophobicContact CD2-CG1 3.94Å; Y429-V452 HydrophobicContact CD2-CG2 4.32Å; Y429-V452 HydrophobicContact CE2-CG1 3.84Å; Y429-E454 PolarHBondContact OH-OE1 3.46Å; Y429-V469 HydrophobicContact CD2-CG2 4.1Å; Y429-V469 HydrophobicContact CG-CG2 4.44Å
430Q97Very high95.6Very high14 Ų1418.9 Ų18.97%0.06511%0.11CC..Hα-helixtrans-62.6-38.2178.3-65.7-179.1-80.700112R426 L427 D428 V433 S434 V469 K470 I472R426-Q430 VanDerWaalsContact O-CG 3.3Å; R426-Q430 WeakPolarHBondContact O-CG 3.48Å; R426-Q430 PolarHBondContact O-N 3.36Å; L427-Q430 WeakPolarHBondContact O-CB 3.09Å; L427-Q430 PolarHBondContact O-N 3.07Å; L427-Q430 VanDerWaalsContact O-N 3.11Å; D428-Q430 VanDerWaalsContact C-N 3.35Å; D428-Q430 PolarHBondContact O-N 3.49Å; Q430-V433 PolarHBondContact O-N 3.08Å; Q430-S434 PolarHBondContact O-N 3.1Å; Q430-S434 PolarHBondContact O-OG 2.75Å; Q430-S434 VanDerWaalsContact O-OG 3.06Å; Q430-V469 HydrophobicContact CB-CG1 4.43Å; Q430-V469 HydrophobicContact CG-CG1 3.72Å; Q430-K470 VanDerWaalsContact CG-O 3.32Å; Q430-K470 WeakPolarHBondContact CG-O 2.97Å; Q430-K470 PolarHBondContact NE2-O 2.74Å; Q430-I472 HydrophobicContact CB-CD1 3.88Å; Q430-I472 HydrophobicContact CB-CG1 3.95Å; Q430-I472 HydrophobicContact CB-CG2 4.41Å
431I97.4Very high95.6Very high0 Ų020.6 Ų20.60%012%0.118CC..Hα-helixtrans-61.4-46.8175.7-69.8158.2000110.8L427 D428 Y429 S434 L435 I472 L474 F476 V601 T604 L605 L608L427-I431 HydrophobicContact CD1-CD1 4.07Å; L427-I431 HydrophobicContact CD1-CG1 4.13Å; L427-I431 HydrophobicContact CG-CD1 3.91Å; L427-I431 HydrophobicContact CG-CG1 4.48Å; L427-I431 WeakPolarHBondContact O-CD1 3.24Å; L427-I431 WeakPolarHBondContact O-CG1 3.36Å; L427-I431 PolarHBondContact O-N 3.43Å; D428-I431 PolarHBondContact O-N 2.99Å; Y429-I431 VanDerWaalsContact C-N 3.31Å; Y429-I431 PolarHBondContact O-N 2.66Å; I431-S434 PolarHBondContact O-N 2.85Å; I431-L435 WeakPolarHBondContact O-CB 3.42Å; I431-L435 PolarHBondContact O-N 3.1Å; I431-I472 HydrophobicContact CG1-CD1 4.35Å; I431-L474 HydrophobicContact CG1-CD1 4.16Å; I431-F476 HydrophobicContact CG2-CE1 4.3Å; I431-F476 HydrophobicContact CG2-CZ 4.38Å; I431-V601 HydrophobicContact CD1-CG1 3.71Å; I431-T604 HydrophobicContact CG2-CG2 4.49Å; I431-L605 HydrophobicContact CD1-CD1 3.92Å; I431-L605 HydrophobicContact CD1-CD2 3.72Å; I431-L605 HydrophobicContact CD1-CG 3.74Å; I431-L605 HydrophobicContact CG1-CD2 3.98Å; I431-L605 HydrophobicContact CG2-CD2 4.06Å; I431-L608 HydrophobicContact CG2-CD1 3.7Å
432Y95.9Very high95.4Very high1 Ų125 Ų250%0.00414%0.138CC..Hα-helixtrans-68-37177.8-84.3-89.1000112.6W377 L381 V390 K393 I396 Y397 D428 Y429 S434 L435 E436 T604W377-Y432 AromaticContact CH2-CE1 3.85Å; W377-Y432 HydrophobicContact CH2-CE1 3.85Å; W377-Y432 HydrophobicContact CZ2-CD1 4.16Å; W377-Y432 AromaticContact CZ2-CE1 3.6Å; W377-Y432 HydrophobicContact CZ2-CE1 3.6Å; L381-Y432 HydrophobicContact CD2-CE1 4.4Å; V390-Y432 WeakPolarHBondContact CG1-OH 3.4Å; K393-Y432 HydrophobicContact CD-CD2 4.49Å; K393-Y432 HydrophobicContact CD-CE2 3.96Å; K393-Y432 HydrophobicContact CG-CD2 3.84Å; K393-Y432 HydrophobicContact CG-CE1 4.22Å; K393-Y432 HydrophobicContact CG-CE2 3.42Å; K393-Y432 VanDerWaalsContact CG-CE2 3.42Å; K393-Y432 HydrophobicContact CG-CG 4.39Å; I396-Y432 HydrophobicContact CD1-CD1 4.18Å; I396-Y432 HydrophobicContact CD1-CD2 4.49Å; I396-Y432 HydrophobicContact CD1-CG 3.74Å; Y397-Y432 HydrophobicContact CE2-CD1 4.32Å; Y397-Y432 WeakPolarHBondContact OH-CD1 3.35Å; D428-Y432 WeakPolarHBondContact O-CD2 3.39Å; D428-Y432 PolarHBondContact O-N 3.13Å; Y429-Y432 PolarHBondContact O-N 2.9Å; Y432-S434 VanDerWaalsContact C-N 3.31Å; Y432-S434 PolarHBondContact O-N 3.1Å; Y432-L435 HydrophobicContact CD1-CD2 4.23Å; Y432-L435 HydrophobicContact CE1-CD2 4.5Å; Y432-L435 WeakPolarHBondContact O-CB 3.29Å; Y432-L435 PolarHBondContact O-N 2.68Å; Y432-E436 WeakPolarHBondContact O-CG 3.41Å; Y432-E436 PolarHBondContact O-N 3.44Å; Y432-T604 HydrophobicContact CD2-CG2 4.5Å; Y432-T604 HydrophobicContact CE2-CG2 3.63Å
433V96.3Very high95.2Very high8 Ų830 Ų305%0.04817%0.165CC..Hα-helixtrans-59.9-45173.1171.40000110.5Y429 Q430 E436 S437 L445 L448 V469 Q471Y429-V433 VanDerWaalsContact O-CG2 3.31Å; Y429-V433 WeakPolarHBondContact O-CG2 3.24Å; Y429-V433 PolarHBondContact O-N 3.48Å; Q430-V433 PolarHBondContact O-N 3.08Å; V433-E436 PolarHBondContact O-N 3.37Å; V433-S437 WeakPolarHBondContact O-CB 3.42Å; V433-S437 PolarHBondContact O-N 3.46Å; V433-S437 PolarHBondContact O-OG 3.18Å; V433-L445 HydrophobicContact CB-CD1 4.4Å; V433-L445 HydrophobicContact CG1-CD1 4.3Å; V433-L445 HydrophobicContact CG2-CD1 4.09Å; V433-L445 HydrophobicContact CG2-CD2 4.49Å; V433-L448 HydrophobicContact CG1-CD2 4.37Å; V433-L448 HydrophobicContact CG2-CD2 3.79Å; V433-V469 HydrophobicContact CG2-CG1 3.78Å; V433-Q471 HydrophobicContact CG1-CB 3.99Å; V433-Q471 HydrophobicContact CG1-CG 4.44Å
434S96.6Very high95Very high2 Ų229.1 Ų29.11%0.01416%0.16CC..Hα-helixtrans-64.6-38.5176-60.80000112.8Q430 I431 Y432 S438 Q471 I472Q430-S434 PolarHBondContact O-N 3.1Å; Q430-S434 PolarHBondContact O-OG 2.75Å; Q430-S434 VanDerWaalsContact O-OG 3.06Å; I431-S434 PolarHBondContact O-N 2.85Å; Y432-S434 VanDerWaalsContact C-N 3.31Å; Y432-S434 PolarHBondContact O-N 3.1Å; S434-S438 WeakPolarHBondContact O-CB 3.33Å; S434-S438 PolarHBondContact O-N 3.32Å; S434-Q471 WeakPolarHBondContact OG-CG 3.4Å; S434-I472 WeakPolarHBondContact CB-O 3.42Å; S434-I472 WeakPolarHBondContact OG-CG1 3.25Å; S434-I472 PolarHBondContact OG-N 2.84Å; S434-I472 VanDerWaalsContact OG-N 3.14Å; S434-I472 PolarHBondContact OG-O 3.45Å
435L96.5Very high94.7Very high3 Ų329.6 Ų29.62%0.01616%0.163CC..Hα-helixtrans-59.4-54.8172.5174.964.2000111.2P378 L381 I431 Y432 S437 S438 L439 F476 L608P378-L435 HydrophobicContact CG-CD1 4.27Å; L381-L435 HydrophobicContact CD2-CD2 3.62Å; I431-L435 WeakPolarHBondContact O-CB 3.42Å; I431-L435 PolarHBondContact O-N 3.1Å; Y432-L435 HydrophobicContact CD1-CD2 4.23Å; Y432-L435 HydrophobicContact CE1-CD2 4.5Å; Y432-L435 WeakPolarHBondContact O-CB 3.29Å; Y432-L435 PolarHBondContact O-N 2.68Å; L435-S437 VanDerWaalsContact C-N 3.26Å; L435-S437 PolarHBondContact O-N 3.37Å; L435-S438 PolarHBondContact O-N 3Å; L435-S438 VanDerWaalsContact O-N 3.11Å; L435-S438 PolarHBondContact O-OG 3.11Å; L435-L439 HydrophobicContact CD1-CD1 3.95Å; L435-L439 HydrophobicContact CD1-CG 4.39Å; L435-L439 HydrophobicContact CG-CD1 4.09Å; L435-L439 WeakPolarHBondContact O-CG 3.32Å; L435-L439 PolarHBondContact O-N 3.07Å; L435-L439 VanDerWaalsContact O-N 3.13Å; L435-F476 HydrophobicContact CB-CE2 4.19Å; L435-F476 HydrophobicContact CB-CZ 4.32Å; L435-F476 HydrophobicContact CD1-CE2 4.41Å; L435-L608 HydrophobicContact CD1-CD2 3.8Å; L435-L608 HydrophobicContact CD2-CD2 4.07Å
436E95.6Very high94.5Very high0 Ų031.1 Ų31.10%017%0.174CC..Hα-helixtrans-65.2-33.2-177.1-60.4-57.9-175.400112.4W377 Y397 Y432 V433 L439 S440 M441 K444 L445W377-E436 PolarHBondContact NE1-OE1 3.46Å; Y397-E436 HydrophobicContact CE1-CG 4.49Å; Y397-E436 PolarHBondContact OH-OE1 2.88Å; Y432-E436 WeakPolarHBondContact O-CG 3.41Å; Y432-E436 PolarHBondContact O-N 3.44Å; V433-E436 PolarHBondContact O-N 3.37Å; E436-L439 CarbonylContact O-C 3.51Å; E436-L439 PolarHBondContact O-N 3.5Å; E436-S440 PolarHBondContact O-N 2.96Å; E436-S440 VanDerWaalsContact O-N 3.1Å; E436-M441 PolarHBondContact O-N 3.49Å; E436-K444 IonicContact OE1-NZ 3.55Å; E436-K444 PolarHBondContact OE1-NZ 3.49Å; E436-K444 WeakPolarHBondContact OE2-CE 3.48Å; E436-K444 IonicContact OE2-NZ 2.81Å; E436-K444 PolarHBondContact OE2-NZ 2.85Å; E436-L445 HydrophobicContact CB-CD1 4.05Å; E436-L445 HydrophobicContact CB-CD2 4.28Å; E436-L445 HydrophobicContact CB-CG 4.14Å; E436-L445 HydrophobicContact CG-CD1 4.46Å; E436-L445 HydrophobicContact CG-CD2 3.77Å; E436-L445 HydrophobicContact CG-CG 4.1Å
437S94.7Very high94.3Very high20 Ų2029.1 Ų29.114%0.1417%0.168CC..Hα-helixtrans-65.5-41.9173.1-50.40000111.8V433 L435 L439 S440 E442 Q471V433-S437 WeakPolarHBondContact O-CB 3.42Å; V433-S437 PolarHBondContact O-N 3.46Å; V433-S437 PolarHBondContact O-OG 3.18Å; L435-S437 VanDerWaalsContact C-N 3.26Å; L435-S437 PolarHBondContact O-N 3.37Å; S437-L439 PolarHBondContact O-N 2.99Å; S437-S440 PolarHBondContact O-N 2.93Å; S437-S440 VanDerWaalsContact O-N 3.08Å; S437-E442 WeakPolarHBondContact CA-OE1 3.42Å; S437-Q471 VanDerWaalsContact CB-NE2 3.33Å
438S94.8Very high94.1Very high72 Ų7231 Ų3150%0.50318%0.178SC..Hα-helixtrans-64.2-22.3175.975.40000113.4S434 L435S434-S438 WeakPolarHBondContact O-CB 3.33Å; S434-S438 PolarHBondContact O-N 3.32Å; L435-S438 PolarHBondContact O-N 3Å; L435-S438 VanDerWaalsContact O-N 3.11Å; L435-S438 PolarHBondContact O-OG 3.11Å
439L94.4Very high93.8Very high59 Ų5937.1 Ų37.131%0.30921%0.21SC..THydrogen-bonded Turntrans-95.2-4.3177.3-62.7172.4000112.9G376 L435 E436 S437 M441G376-L439 VanDerWaalsContact O-CD1 3.28Å; G376-L439 WeakPolarHBondContact O-CD1 3.07Å; L435-L439 HydrophobicContact CD1-CD1 3.95Å; L435-L439 HydrophobicContact CD1-CG 4.39Å; L435-L439 HydrophobicContact CG-CD1 4.09Å; L435-L439 WeakPolarHBondContact O-CG 3.32Å; L435-L439 PolarHBondContact O-N 3.07Å; L435-L439 VanDerWaalsContact O-N 3.13Å; E436-L439 CarbonylContact O-C 3.51Å; E436-L439 PolarHBondContact O-N 3.5Å; S437-L439 PolarHBondContact O-N 2.99Å; L439-M441 VanDerWaalsContact C-N 3.27Å; L439-M441 HydrophobicContact CB-CB 4.36Å; L439-M441 HydrophobicContact CB-CG 4.05Å; L439-M441 WeakPolarHBondContact O-CG 3.28Å; L439-M441 PolarHBondContact O-N 3.3Å
440S94.1Very high93.4Very high95 Ų9541.2 Ų41.266%0.66424%0.238SC*.THydrogen-bonded Turntrans55.539.7-170.8-53.60000113.1E436 S437 E442E436-S440 PolarHBondContact O-N 2.96Å; E436-S440 VanDerWaalsContact O-N 3.1Å; S437-S440 PolarHBondContact O-N 2.93Å; S437-S440 VanDerWaalsContact O-N 3.08Å; S440-E442 WeakPolarHBondContact CA-OE2 3.43Å
441M92.4Very high93.3Very high44 Ų4442 Ų4222%0.21724%0.243CC..  trans-126.333.6-176.5-60.5-74.6-68.800112.9E436 L439 N443 K444E436-M441 PolarHBondContact O-N 3.49Å; L439-M441 VanDerWaalsContact C-N 3.27Å; L439-M441 HydrophobicContact CB-CB 4.36Å; L439-M441 HydrophobicContact CB-CG 4.05Å; L439-M441 WeakPolarHBondContact O-CG 3.28Å; L439-M441 PolarHBondContact O-N 3.3Å; M441-N443 VanDerWaalsContact C-OD1 3.23Å; M441-N443 WeakPolarHBondContact CA-OD1 3.43Å; M441-N443 PolarHBondContact O-N 3.43Å; M441-N443 VanDerWaalsContact O-N 3.15Å; M441-N443 PolarHBondContact O-OD1 2.89Å; M441-K444 HydrophobicContact CB-CD 4.44Å; M441-K444 HydrophobicContact CE-CD 4.12Å; M441-K444 HydrophobicContact CE-CG 4.46Å; M441-K444 WeakPolarHBondContact O-CB 3.39Å; M441-K444 PolarHBondContact O-N 3.36Å; M441-K444 VanDerWaalsContact O-N 3.08Å
442E91.6Very high93.2Very high92 Ų9242 Ų4243%0.4324%0.243SC..G310 helixtrans-62-20.3178.9-57.493.6145.700112.4S437 S440 K444 L445S437-E442 WeakPolarHBondContact CA-OE1 3.42Å; S440-E442 WeakPolarHBondContact CA-OE2 3.43Å; E442-K444 PolarHBondContact O-N 2.96Å; E442-K444 VanDerWaalsContact O-N 3.1Å; E442-L445 HydrophobicContact CB-CD1 4.28Å; E442-L445 VanDerWaalsContact O-CB 3.29Å; E442-L445 WeakPolarHBondContact O-CB 3.45Å; E442-L445 PolarHBondContact O-N 2.88Å
443N90.2Very high93.1Very high109 Ų10943.3 Ų43.358%0.58325%0.25SC*.G310 helixtrans-56.7-24172.568.8-53.2000113.1M441 L445M441-N443 VanDerWaalsContact C-OD1 3.23Å; M441-N443 WeakPolarHBondContact CA-OD1 3.43Å; M441-N443 PolarHBondContact O-N 3.43Å; M441-N443 VanDerWaalsContact O-N 3.15Å; M441-N443 PolarHBondContact O-OD1 2.89Å; N443-L445 VanDerWaalsContact C-N 3.3Å
444K89.3Confident93Very high6 Ų643 Ų433%0.02625%0.248CC..G310 helixtrans-71.1-23.9174.2-68.8-173.9-84155.80113.1Y373 N375 Y397 E436 M441 E442 V446Y373-K444 WeakPolarHBondContact O-CD 3.32Å; Y373-K444 PolarHBondContact O-NZ 3.08Å; N375-K444 PolarHBondContact O-NZ 2.97Å; Y397-K444 HydrophobicContact CD1-CB 4.35Å; Y397-K444 WeakPolarHBondContact CD1-O 3.42Å; Y397-K444 HydrophobicContact CE1-CB 4.15Å; E436-K444 IonicContact OE1-NZ 3.55Å; E436-K444 PolarHBondContact OE1-NZ 3.49Å; E436-K444 WeakPolarHBondContact OE2-CE 3.48Å; E436-K444 IonicContact OE2-NZ 2.81Å; E436-K444 PolarHBondContact OE2-NZ 2.85Å; M441-K444 HydrophobicContact CB-CD 4.44Å; M441-K444 HydrophobicContact CE-CD 4.12Å; M441-K444 HydrophobicContact CE-CG 4.46Å; M441-K444 WeakPolarHBondContact O-CB 3.39Å; M441-K444 PolarHBondContact O-N 3.36Å; M441-K444 VanDerWaalsContact O-N 3.08Å; E442-K444 PolarHBondContact O-N 2.96Å; E442-K444 VanDerWaalsContact O-N 3.1Å; K444-V446 PolarHBondContact O-N 3.21Å
445L91.9Very high92.9Very high12 Ų1243.6 Ų43.66%0.06325%0.25CC..  trans-77.947.3-174.5-59.5172.2000112.4I396 Y397 V433 E436 E442 N443 G447 L448I396-L445 HydrophobicContact CB-CD2 4.26Å; I396-L445 HydrophobicContact CD1-CD2 4.06Å; I396-L445 CarbonylContact O-C 3.56Å; I396-L445 VanDerWaalsContact O-C 3.32Å; I396-L445 WeakPolarHBondContact O-CA 3.25Å; Y397-L445 HydrophobicContact CE1-CD2 4.12Å; V433-L445 HydrophobicContact CB-CD1 4.4Å; V433-L445 HydrophobicContact CG1-CD1 4.3Å; V433-L445 HydrophobicContact CG2-CD1 4.09Å; V433-L445 HydrophobicContact CG2-CD2 4.49Å; E436-L445 HydrophobicContact CB-CD1 4.05Å; E436-L445 HydrophobicContact CB-CD2 4.28Å; E436-L445 HydrophobicContact CB-CG 4.14Å; E436-L445 HydrophobicContact CG-CD1 4.46Å; E436-L445 HydrophobicContact CG-CD2 3.77Å; E436-L445 HydrophobicContact CG-CG 4.1Å; E442-L445 HydrophobicContact CB-CD1 4.28Å; E442-L445 VanDerWaalsContact O-CB 3.29Å; E442-L445 WeakPolarHBondContact O-CB 3.45Å; E442-L445 PolarHBondContact O-N 2.88Å; N443-L445 VanDerWaalsContact C-N 3.3Å; L445-G447 PolarHBondContact O-N 2.89Å; L445-G447 VanDerWaalsContact O-N 3.09Å; L445-L448 HydrophobicContact CB-CB 4.22Å; L445-L448 HydrophobicContact CD1-CD2 4.4Å; L445-L448 WeakPolarHBondContact O-CB 3.47Å; L445-L448 PolarHBondContact O-N 3.29Å
446V90.2Very high92.7Very high50 Ų5043.8 Ų43.830%0.30325%0.251SS..THydrogen-bonded Turntrans-63.8-18.1-176.1-57.60000113.6M82 Y397 S399 K444 L448M82-V446 HydrophobicContact CE-CG1 4.35Å; M82-V446 HydrophobicContact CE-CG2 3.56Å; Y397-V446 WeakPolarHBondContact O-CG2 3.42Å; S399-V446 WeakPolarHBondContact CA-O 3Å; K444-V446 PolarHBondContact O-N 3.21Å; V446-L448 VanDerWaalsContact C-N 3.34Å
447G91.3Very high92.4Very high5 Ų544.3 Ų44.35%0.05225%0.253CS..THydrogen-bonded Turntrans-82.4-8.3173.600000114.3I396 S398 L445I396-G447 WeakPolarHBondContact O-CA 3.45Å; I396-G447 PolarHBondContact O-N 3.35Å; S398-G447 VanDerWaalsContact O-CA 3.26Å; S398-G447 WeakPolarHBondContact O-CA 3.36Å; L445-G447 PolarHBondContact O-N 2.89Å; L445-G447 VanDerWaalsContact O-N 3.09Å
448L93.3Very high92.2Very high41 Ų4145.2 Ų45.222%0.21526%0.255CS..  trans-99.786173.8-176.867.4000109.5V433 L445 V446 P450 V452 V469V433-L448 HydrophobicContact CG1-CD2 4.37Å; V433-L448 HydrophobicContact CG2-CD2 3.79Å; L445-L448 HydrophobicContact CB-CB 4.22Å; L445-L448 HydrophobicContact CD1-CD2 4.4Å; L445-L448 WeakPolarHBondContact O-CB 3.47Å; L445-L448 PolarHBondContact O-N 3.29Å; V446-L448 VanDerWaalsContact C-N 3.34Å; L448-P450 VanDerWaalsContact CD1-O 3.29Å; L448-P450 WeakPolarHBondContact CD1-O 3.26Å; L448-V452 HydrophobicContact CD1-CG2 3.97Å; L448-V469 HydrophobicContact CD1-CB 3.92Å
449N89.5Confident91.8Very high135 Ų13545.8 Ų45.872%0.72225%0.253SS*.SBendtrans-152.296.5178.6-174.38.5000113.5
450P89.1Confident91.4Very high97 Ų9746.3 Ų46.363%0.6326%0.256SS*.SBendcis-72.7-17.4-2432.5-34.9000112.3L448L448-P450 VanDerWaalsContact CD1-O 3.29Å; L448-P450 WeakPolarHBondContact CD1-O 3.26Å
451D94.1Very high91.1Very high32 Ų3245.5 Ų45.517%0.17124%0.24CC..SBendtrans-112.6157-174.5-60.8-39.7000111.1R466 P468D451-R466 HydrophobicContact CB-CB 3.97Å; D451-P468 VanDerWaalsContact OD1-CA 3.31Å; D451-P468 WeakPolarHBondContact OD1-CA 3.35Å
452V95.2Very high91Very high0 Ų044 Ų440%023%0.233CC..EExtended strand (participates in β ladder)trans-73.9138.4169.1171.40000109.8I396 Y429 L448 R466 I467 V469I396-V452 HydrophobicContact CG2-CG2 3.68Å; Y429-V452 HydrophobicContact CD2-CB 4.37Å; Y429-V452 HydrophobicContact CD2-CG1 3.94Å; Y429-V452 HydrophobicContact CD2-CG2 4.32Å; Y429-V452 HydrophobicContact CE2-CG1 3.84Å; L448-V452 HydrophobicContact CD1-CG2 3.97Å; V452-R466 CarbonylContact O-C 3.56Å; V452-R466 WeakPolarHBondContact O-CA 3.4Å; V452-I467 HydrophobicContact CB-CB 4.42Å; V452-I467 PolarHBondContact N-O 3.31Å; V452-I467 PolarHBondContact O-N 3.11Å; V452-V469 HydrophobicContact CB-CG2 4.07Å; V452-V469 HydrophobicContact CG2-CB 4.16Å; V452-V469 HydrophobicContact CG2-CG2 3.59Å
453I94.3Very high91Very high28 Ų2839.9 Ų39.914%0.14421%0.214CC..EExtended strand (participates in β ladder)trans-108.2120.6-179.1-62172.9000111.3G401 V402 Y455 M464 F465G401-I453 CarbonylContact C-O 3.58Å; G401-I453 WeakPolarHBondContact CA-O 3.38Å; V402-I453 PolarHBondContact N-O 3.11Å; I453-Y455 HydrophobicContact CG2-CE1 4.31Å; I453-Y455 HydrophobicContact CG2-CE2 3.93Å; I453-M464 HydrophobicContact CD1-SD 4.23Å; I453-M464 HydrophobicContact CG1-SD 4.5Å; I453-M464 HydrophobicContact CG2-CG 3.52Å; I453-M464 HydrophobicContact CG2-SD 3.8Å; I453-F465 WeakPolarHBondContact CA-O 3.29Å
454E94.5Very high91.1Very high0 Ų035.9 Ų35.90%019%0.192CC..EExtended strand (participates in β ladder)trans-115.2134.4167.9-67.7-175.1159.800110V402 L404 R425 Y429 F465 I467V402-E454 HydrophobicContact CG1-CG 4.29Å; V402-E454 CarbonylContact O-C 3.39Å; V402-E454 WeakPolarHBondContact O-CA 2.92Å; L404-E454 HydrophobicContact CD2-CG 4.29Å; L404-E454 HydrophobicContact CG-CB 4.39Å; R425-E454 IonicContact CZ-OE1 2.59Å; R425-E454 IonicContact CZ-OE2 2.6Å; R425-E454 IonicContact NE-OE1 3.41Å; R425-E454 PolarHBondContact NE-OE1 3.43Å; R425-E454 IonicContact NE-OE2 2.92Å; R425-E454 PolarHBondContact NE-OE2 3.03Å; R425-E454 IonicContact NH2-OE1 2.64Å; R425-E454 IonicContact NH2-OE2 3.52Å; R425-E454 PolarHBondContact NH2-OE2 3.43Å; Y429-E454 PolarHBondContact OH-OE1 3.46Å; E454-F465 HydrophobicContact CB-CB 4.25Å; E454-F465 PolarHBondContact N-O 3.24Å; E454-F465 PolarHBondContact O-N 3.21Å; E454-I467 HydrophobicContact CB-CD1 4.36Å; E454-I467 VanDerWaalsContact CD-CD1 3.47Å; E454-I467 HydrophobicContact CG-CD1 3.81Å; E454-I467 WeakPolarHBondContact OE2-CD1 3.41Å
455Y93.6Very high91.3Very high15 Ų1536.1 Ų36.16%0.05919%0.193CC..EExtended strand (participates in β ladder)trans-99.9126.7167.2-54.3-85.5000109.2L87 R400 V402 F403 L404 I453 V463 M464 L708L87-Y455 HydrophobicContact CD1-CD2 4.38Å; L87-Y455 HydrophobicContact CD1-CE2 3.53Å; R400-Y455 WeakPolarHBondContact O-CE2 3.49Å; R400-Y455 PolarHBondContact O-OH 2.91Å; V402-Y455 WeakPolarHBondContact O-CD2 3.15Å; V402-Y455 PolarHBondContact O-N 3.33Å; F403-Y455 HydrophobicContact CD1-CD2 4.03Å; F403-Y455 AromaticContact CD1-CG 3.87Å; F403-Y455 HydrophobicContact CD1-CG 3.87Å; F403-Y455 HydrophobicContact CD2-CD2 4.11Å; F403-Y455 VanDerWaalsContact CE1-CB 3.44Å; F403-Y455 HydrophobicContact CE1-CD1 4.14Å; F403-Y455 AromaticContact CE1-CD2 3.8Å; F403-Y455 HydrophobicContact CE1-CD2 3.8Å; F403-Y455 AromaticContact CE1-CG 3.52Å; F403-Y455 HydrophobicContact CE1-CG 3.52Å; F403-Y455 AromaticContact CE2-CD2 3.96Å; F403-Y455 HydrophobicContact CE2-CD2 3.96Å; F403-Y455 HydrophobicContact CE2-CE2 4.29Å; F403-Y455 HydrophobicContact CG-CD2 4.14Å; F403-Y455 HydrophobicContact CG-CG 4.42Å; F403-Y455 HydrophobicContact CZ-CD1 4.38Å; F403-Y455 AromaticContact CZ-CD2 3.75Å; F403-Y455 HydrophobicContact CZ-CD2 3.75Å; F403-Y455 HydrophobicContact CZ-CE2 4.18Å; F403-Y455 AromaticContact CZ-CG 3.88Å; F403-Y455 HydrophobicContact CZ-CG 3.88Å; L404-Y455 PolarHBondContact N-O 3.45Å; I453-Y455 HydrophobicContact CG2-CE1 4.31Å; I453-Y455 HydrophobicContact CG2-CE2 3.93Å; Y455-V463 WeakPolarHBondContact CA-O 3.21Å; Y455-M464 HydrophobicContact CD1-CB 4.04Å; Y455-M464 HydrophobicContact CD1-CG 4.22Å; Y455-M464 HydrophobicContact CE1-CB 3.99Å; Y455-M464 HydrophobicContact CE1-CG 3.86Å; Y455-M464 HydrophobicContact CE1-SD 4.19Å; Y455-L708 HydrophobicContact CD1-CD1 4.32Å; Y455-L708 HydrophobicContact CD1-CD2 3.99Å; Y455-L708 HydrophobicContact CE1-CD2 3.75Å
456T92.5Very high91.5Very high8 Ų840 Ų405%0.04921%0.207CC..EExtended strand (participates in β ladder)trans-148.7170.2-177.6-166.70000110.9S416 V463 F465S416-T456 WeakPolarHBondContact CB-OG1 3.06Å; S416-T456 PolarHBondContact OG-OG1 3Å; T456-V463 PolarHBondContact N-O 2.97Å; T456-V463 VanDerWaalsContact N-O 3.08Å; T456-V463 WeakPolarHBondContact O-CG2 3.35Å; T456-V463 PolarHBondContact O-N 3.39Å; T456-F465 HydrophobicContact CG2-CD2 3.53Å; T456-F465 HydrophobicContact CG2-CE1 4.42Å; T456-F465 HydrophobicContact CG2-CE2 3.43Å; T456-F465 VanDerWaalsContact CG2-CE2 3.43Å; T456-F465 HydrophobicContact CG2-CG 4.11Å; T456-F465 HydrophobicContact CG2-CZ 3.91Å
457R90.3Very high91.7Very high11 Ų1137.7 Ų37.74%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-74.9139.1176.4-172.8-167.872.188.5-5.1110.8L98 E409 D410 C413 L415 S416 N459 K461L98-R457 HydrophobicContact CD1-CB 4.38Å; L98-R457 VanDerWaalsContact CD1-CD 3.46Å; L98-R457 HydrophobicContact CD1-CG 3.73Å; L98-R457 HydrophobicContact CD2-CG 4.04Å; E409-R457 IonicContact OE1-NE 2.8Å; E409-R457 IonicContact OE2-CZ 2.76Å; E409-R457 IonicContact OE2-NE 3.24Å; E409-R457 PolarHBondContact OE2-NE 3.35Å; E409-R457 IonicContact OE2-NH2 3.45Å; E409-R457 PolarHBondContact OE2-NH2 2.97Å; D410-R457 PolarHBondContact O-NH2 3.44Å; C413-R457 VanDerWaalsContact O-CZ 3.32Å; C413-R457 PolarHBondContact O-NH1 3.31Å; C413-R457 PolarHBondContact O-NH2 3.26Å; L415-R457 PolarHBondContact O-NH2 3.02Å; S416-R457 VanDerWaalsContact CB-O 3.32Å; S416-R457 WeakPolarHBondContact CB-O 3.3Å; R457-N459 WeakPolarHBondContact CG-O 3.47Å; R457-N459 PolarHBondContact NH1-O 3.28Å; R457-K461 WeakPolarHBondContact CA-O 3.37Å
458Q89.7Confident91.9Very high39 Ų3939.1 Ų39.118%0.18220%0.202CC..EExtended strand (participates in β ladder)trans-141.2127.1158.7-173.4173.30.600109P414 D460 K461 V463P414-Q458 CarbonylContact O-C 3.32Å; P414-Q458 WeakPolarHBondContact O-CA 3.44Å; P414-Q458 WeakPolarHBondContact O-CG 3.44Å; Q458-D460 PolarHBondContact O-N 3.17Å; Q458-K461 PolarHBondContact N-O 2.85Å; Q458-K461 PolarHBondContact O-N 2.98Å; Q458-K461 VanDerWaalsContact O-O 3.09Å; Q458-V463 HydrophobicContact CB-CB 4.46Å; Q458-V463 HydrophobicContact CB-CG1 4.09Å; Q458-V463 HydrophobicContact CB-CG2 3.5Å
459N86.9Confident91.9Very high83 Ų8337.8 Ų37.844%0.44420%0.195SC..THydrogen-bonded Turntrans51.4-130.9-166.7-55.5-52.7000110.3P414 R457 K461P414-N459 VanDerWaalsContact CA-OD1 3.31Å; P414-N459 WeakPolarHBondContact CA-OD1 3.29Å; P414-N459 WeakPolarHBondContact CB-OD1 3.4Å; P414-N459 PolarHBondContact O-N 2.52Å; R457-N459 WeakPolarHBondContact CG-O 3.47Å; R457-N459 PolarHBondContact NH1-O 3.28Å; N459-K461 VanDerWaalsContact C-N 3.32Å
460D85.2Confident92Very high70 Ų7038.7 Ų38.737%0.37419%0.192SC..THydrogen-bonded Turntrans-89.98.4176.3-67.7-27.1000113.4I102 K106 Q458I102-D460 HydrophobicContact CD1-CB 3.95Å; K106-D460 IonicContact NZ-OD1 2.73Å; K106-D460 PolarHBondContact NZ-OD1 2.83Å; K106-D460 IonicContact NZ-OD2 2.85Å; K106-D460 PolarHBondContact NZ-OD2 3.22Å; Q458-D460 PolarHBondContact O-N 3.17Å
461K88Confident92.2Very high79 Ų7939.6 Ų39.634%0.34319%0.188SC..EExtended strand (participates in β ladder)trans-114.4154.5-172.8-64.1-179.7179.4-1780112.1R457 Q458 N459 V463 E707R457-K461 WeakPolarHBondContact CA-O 3.37Å; Q458-K461 PolarHBondContact N-O 2.85Å; Q458-K461 PolarHBondContact O-N 2.98Å; Q458-K461 VanDerWaalsContact O-O 3.09Å; N459-K461 VanDerWaalsContact C-N 3.32Å; K461-V463 HydrophobicContact CB-CG1 4.32Å; K461-E707 IonicContact NZ-OE1 3.35Å; K461-E707 PolarHBondContact NZ-OE1 3.02Å; K461-E707 IonicContact NZ-OE2 3.33Å; K461-E707 PolarHBondContact NZ-OE2 3.31Å
462L90.2Very high92.2Very high12 Ų1238.9 Ų38.96%0.06318%0.184CC..EExtended strand (participates in β ladder)trans-90.4123.5164.8-171.366.2000108Q91 E94 F403 L708Q91-L462 HydrophobicContact CG-CD2 4.02Å; E94-L462 HydrophobicContact CB-CD2 4.36Å; F403-L462 HydrophobicContact CD1-CD1 4.49Å; F403-L462 HydrophobicContact CD1-CD2 4.18Å; F403-L462 HydrophobicContact CE1-CD2 3.7Å; F403-L462 HydrophobicContact CE1-CG 4.48Å; L462-L708 HydrophobicContact CB-CD1 4.22Å; L462-L708 HydrophobicContact CD2-CD1 4.1Å; L462-L708 HydrophobicContact CG-CD1 3.98Å; L462-L708 WeakPolarHBondContact O-CD1 3.4Å
463V92.1Very high92Very high5 Ų545 Ų453%0.0322%0.224CC..EExtended strand (participates in β ladder)trans-124.4159.2-176.1-63.60000110.9Y455 T456 Q458 K461 F465 I705Y455-V463 WeakPolarHBondContact CA-O 3.21Å; T456-V463 PolarHBondContact N-O 2.97Å; T456-V463 VanDerWaalsContact N-O 3.08Å; T456-V463 WeakPolarHBondContact O-CG2 3.35Å; T456-V463 PolarHBondContact O-N 3.39Å; Q458-V463 HydrophobicContact CB-CB 4.46Å; Q458-V463 HydrophobicContact CB-CG1 4.09Å; Q458-V463 HydrophobicContact CB-CG2 3.5Å; K461-V463 HydrophobicContact CB-CG1 4.32Å; V463-F465 HydrophobicContact CG2-CD2 3.91Å; V463-F465 HydrophobicContact CG2-CE2 3.6Å; V463-I705 HydrophobicContact CB-CG2 4Å; V463-I705 HydrophobicContact CG1-CG2 4.33Å; V463-I705 HydrophobicContact CG2-CG2 4.12Å
464M92.8Very high92Very high25 Ų2544.9 Ų44.912%0.12322%0.223CC..EExtended strand (participates in β ladder)trans-100.7117.1176.7-175.4-178.56200109.8I453 Y455 R466 H706 L708I453-M464 HydrophobicContact CD1-SD 4.23Å; I453-M464 HydrophobicContact CG1-SD 4.5Å; I453-M464 HydrophobicContact CG2-CG 3.52Å; I453-M464 HydrophobicContact CG2-SD 3.8Å; Y455-M464 HydrophobicContact CD1-CB 4.04Å; Y455-M464 HydrophobicContact CD1-CG 4.22Å; Y455-M464 HydrophobicContact CE1-CB 3.99Å; Y455-M464 HydrophobicContact CE1-CG 3.86Å; Y455-M464 HydrophobicContact CE1-SD 4.19Å; M464-R466 HydrophobicContact CE-CG 4.28Å; M464-H706 HydrophobicContact CB-CB 4.29Å; M464-H706 HydrophobicContact CE-CB 3.51Å; M464-H706 PolarHBondContact N-O 3.25Å; M464-H706 PolarHBondContact O-N 3.25Å; M464-L708 HydrophobicContact CB-CD2 4.04Å
465F93.6Very high92Very high12 Ų1247.9 Ų47.95%0.05324%0.24CC..EExtended strand (participates in β ladder)trans-89.4122169.8-82.4-134.4000108.3I453 E454 T456 V463 I467 Y703 S704 I705I453-F465 WeakPolarHBondContact CA-O 3.29Å; E454-F465 HydrophobicContact CB-CB 4.25Å; E454-F465 PolarHBondContact N-O 3.24Å; E454-F465 PolarHBondContact O-N 3.21Å; T456-F465 HydrophobicContact CG2-CD2 3.53Å; T456-F465 HydrophobicContact CG2-CE1 4.42Å; T456-F465 HydrophobicContact CG2-CE2 3.43Å; T456-F465 VanDerWaalsContact CG2-CE2 3.43Å; T456-F465 HydrophobicContact CG2-CG 4.11Å; T456-F465 HydrophobicContact CG2-CZ 3.91Å; V463-F465 HydrophobicContact CG2-CD2 3.91Å; V463-F465 HydrophobicContact CG2-CE2 3.6Å; F465-I467 HydrophobicContact CB-CG1 4.39Å; F465-Y703 AromaticContact CD1-CD2 3.44Å; F465-Y703 HydrophobicContact CD1-CD2 3.44Å; F465-Y703 VanDerWaalsContact CD1-CD2 3.44Å; F465-Y703 AromaticContact CD1-CE2 3.89Å; F465-Y703 HydrophobicContact CD1-CE2 3.89Å; F465-Y703 AromaticContact CD1-CG 3.97Å; F465-Y703 HydrophobicContact CD1-CG 3.97Å; F465-Y703 AromaticContact CE1-CD2 3.49Å; F465-Y703 HydrophobicContact CE1-CD2 3.49Å; F465-Y703 VanDerWaalsContact CE1-CD2 3.49Å; F465-Y703 AromaticContact CE1-CE2 3.4Å; F465-Y703 HydrophobicContact CE1-CE2 3.4Å; F465-Y703 HydrophobicContact CE1-CG 4.22Å; F465-Y703 HydrophobicContact CG-CD2 4.15Å; F465-Y703 HydrophobicContact CZ-CD2 4.23Å; F465-Y703 AromaticContact CZ-CE2 3.88Å; F465-Y703 HydrophobicContact CZ-CE2 3.88Å; F465-S704 WeakPolarHBondContact CA-O 3.41Å; F465-I705 HydrophobicContact CD2-CG1 4.39Å; F465-I705 HydrophobicContact CE2-CD1 4.41Å; F465-I705 HydrophobicContact CE2-CG1 4.08Å; F465-I705 HydrophobicContact CZ-CD1 4.34Å; F465-I705 HydrophobicContact CZ-CG1 4.29Å
466R94.8Very high92.1Very high94 Ų9448.2 Ų48.236%0.35524%0.241SC..EExtended strand (participates in β ladder)trans-98118165.4-66.6-173.2-179.8-179.70.7108.2D451 V452 M464 Y703 S704D451-R466 HydrophobicContact CB-CB 3.97Å; V452-R466 CarbonylContact O-C 3.56Å; V452-R466 WeakPolarHBondContact O-CA 3.4Å; M464-R466 HydrophobicContact CE-CG 4.28Å; R466-Y703 CarbonylContact O-C 3.5Å; R466-Y703 WeakPolarHBondContact O-CA 3.2Å; R466-Y703 VanDerWaalsContact O-CB 3.3Å; R466-Y703 WeakPolarHBondContact O-CB 3.44Å; R466-S704 PolarHBondContact N-O 2.93Å; R466-S704 PolarHBondContact O-N 2.96Å
467I95.4Very high92.2Very high0 Ų051.2 Ų51.20%026%0.263CS..EExtended strand (participates in β ladder)trans-110.7110.1-174.8-57.7169.8000107.7L422 R426 V452 E454 F465 V469L422-I467 HydrophobicContact CD1-CD1 3.67Å; L422-I467 HydrophobicContact CD1-CG1 4.26Å; R426-I467 HydrophobicContact CB-CG2 4.34Å; R426-I467 HydrophobicContact CG-CG2 4.09Å; V452-I467 HydrophobicContact CB-CB 4.42Å; V452-I467 PolarHBondContact N-O 3.31Å; V452-I467 PolarHBondContact O-N 3.11Å; E454-I467 HydrophobicContact CB-CD1 4.36Å; E454-I467 VanDerWaalsContact CD-CD1 3.47Å; E454-I467 HydrophobicContact CG-CD1 3.81Å; E454-I467 WeakPolarHBondContact OE2-CD1 3.41Å; F465-I467 HydrophobicContact CB-CG1 4.39Å; I467-V469 HydrophobicContact CG2-CG2 4.14Å; I467-V469 PolarHBondContact O-N 3.48Å; I467-V469 VanDerWaalsContact O-N 3.15Å
468P94.6Very high92.5Very high36 Ų3657.4 Ų57.423%0.23429%0.29CS..  trans-64114.7172.2-23.735000110.9R426 D451 F702R426-P468 PolarHBondContact NE-O 3.2Å; D451-P468 VanDerWaalsContact OD1-CA 3.31Å; D451-P468 WeakPolarHBondContact OD1-CA 3.35Å; P468-F702 VanDerWaalsContact CD-O 3.29Å; P468-F702 WeakPolarHBondContact CD-O 3.33Å
469V94.6Very high92.8Very high12 Ų1256.8 Ų56.87%0.07329%0.289CS..  trans-112.5117.3177.5177.10000107.7Y429 Q430 V433 L448 V452 I467Y429-V469 HydrophobicContact CD2-CG2 4.1Å; Y429-V469 HydrophobicContact CG-CG2 4.44Å; Q430-V469 HydrophobicContact CB-CG1 4.43Å; Q430-V469 HydrophobicContact CG-CG1 3.72Å; V433-V469 HydrophobicContact CG2-CG1 3.78Å; L448-V469 HydrophobicContact CD1-CB 3.92Å; V452-V469 HydrophobicContact CB-CG2 4.07Å; V452-V469 HydrophobicContact CG2-CB 4.16Å; V452-V469 HydrophobicContact CG2-CG2 3.59Å; I467-V469 HydrophobicContact CG2-CG2 4.14Å; I467-V469 PolarHBondContact O-N 3.48Å; I467-V469 VanDerWaalsContact O-N 3.15Å
470K91.2Very high93.2Very high155 Ų15553.3 Ų53.367%0.67427%0.272SS*.  trans-110.7143.6175.5-65.1-177.1179.6-178.90109.4Q430 I472Q430-K470 VanDerWaalsContact CG-O 3.32Å; Q430-K470 WeakPolarHBondContact CG-O 2.97Å; Q430-K470 PolarHBondContact NE2-O 2.74Å; K470-I472 PolarHBondContact O-N 2.76Å
471Q92.9Very high93.8Very high115 Ų11550 Ų5054%0.53725%0.254SS..  trans-54.6133.3170.8-171.1-174.93.200110V433 S434 S437V433-Q471 HydrophobicContact CG1-CB 3.99Å; V433-Q471 HydrophobicContact CG1-CG 4.44Å; S434-Q471 WeakPolarHBondContact OG-CG 3.4Å; S437-Q471 VanDerWaalsContact CB-NE2 3.33Å
472I93.6Very high94.1Very high17 Ų1747.3 Ų47.39%0.08724%0.244CC..  trans-101.7134.3168.847177.5000108.4L427 Q430 I431 S434 K470 L474L427-I472 HydrophobicContact CD1-CD1 3.74Å; Q430-I472 HydrophobicContact CB-CD1 3.88Å; Q430-I472 HydrophobicContact CB-CG1 3.95Å; Q430-I472 HydrophobicContact CB-CG2 4.41Å; I431-I472 HydrophobicContact CG1-CD1 4.35Å; S434-I472 WeakPolarHBondContact CB-O 3.42Å; S434-I472 WeakPolarHBondContact OG-CG1 3.25Å; S434-I472 PolarHBondContact OG-N 2.84Å; S434-I472 VanDerWaalsContact OG-N 3.14Å; S434-I472 PolarHBondContact OG-O 3.45Å; K470-I472 PolarHBondContact O-N 2.76Å; I472-L474 VanDerWaalsContact C-N 3.35Å; I472-L474 HydrophobicContact CB-CG 4.46Å; I472-L474 HydrophobicContact CD1-CD1 3.57Å; I472-L474 HydrophobicContact CD1-CD2 4.32Å; I472-L474 HydrophobicContact CD1-CG 3.97Å; I472-L474 HydrophobicContact CG1-CD1 3.76Å; I472-L474 HydrophobicContact CG1-CG 3.82Å; I472-L474 PolarHBondContact O-N 2.76Å
473P91.5Very high94.3Very high129 Ų12952 Ų5284%0.83827%0.266SS*.  trans-70.291.7-177.428.9-34000109.9
474L94.6Very high94.4Very high25 Ų2552 Ų5213%0.13127%0.266CS..  trans-110.7113.7178.5-64.4179.1000109.6I431 I472 F476 V479 V484I431-L474 HydrophobicContact CG1-CD1 4.16Å; I472-L474 VanDerWaalsContact C-N 3.35Å; I472-L474 HydrophobicContact CB-CG 4.46Å; I472-L474 HydrophobicContact CD1-CD1 3.57Å; I472-L474 HydrophobicContact CD1-CD2 4.32Å; I472-L474 HydrophobicContact CD1-CG 3.97Å; I472-L474 HydrophobicContact CG1-CD1 3.76Å; I472-L474 HydrophobicContact CG1-CG 3.82Å; I472-L474 PolarHBondContact O-N 2.76Å; L474-F476 HydrophobicContact CB-CD1 4.49Å; L474-F476 HydrophobicContact CB-CE1 4.08Å; L474-F476 HydrophobicContact CB-CE2 4.39Å; L474-F476 HydrophobicContact CB-CZ 4.02Å; L474-F476 HydrophobicContact CD1-CE1 3.83Å; L474-F476 HydrophobicContact CD1-CZ 3.98Å; L474-V479 HydrophobicContact CD2-CG1 4.34Å; L474-V479 HydrophobicContact CD2-CG2 4.43Å; L474-V484 HydrophobicContact CD2-CG1 4.39Å; L474-V484 HydrophobicContact CD2-CG2 3.77Å
475D94.8Very high94.5Very high64 Ų6450.9 Ų50.934%0.34226%0.26SS..  trans-91.496.3162.5-178.9-12.5000107.5S477 K478 V479D475-S477 PolarHBondContact O-N 2.99Å; D475-S477 WeakPolarHBondContact OD1-CB 3.41Å; D475-S477 PolarHBondContact OD1-N 2.81Å; D475-S477 VanDerWaalsContact OD1-N 3.1Å; D475-S477 PolarHBondContact OD1-OG 2.93Å; D475-K478 HydrophobicContact CB-CB 4.16Å; D475-K478 HydrophobicContact CB-CG 4.48Å; D475-K478 WeakPolarHBondContact O-CA 3.2Å; D475-K478 PolarHBondContact O-N 2.86Å; D475-K478 WeakPolarHBondContact OD2-CD 3.28Å; D475-K478 WeakPolarHBondContact OD2-CE 3.46Å; D475-K478 WeakPolarHBondContact OD2-CG 3.34Å; D475-K478 IonicContact OD2-NZ 2.71Å; D475-K478 PolarHBondContact OD2-NZ 2.99Å; D475-V479 WeakPolarHBondContact O-CG2 3.45Å; D475-V479 PolarHBondContact O-N 2.85Å
476F95.5Very high94.5Very high22 Ų2254.2 Ų54.210%0.09627%0.274CS..THydrogen-bonded Turntrans-59.6-16.9-176.5-63.6-70.3000113.6I431 L435 L474 L608 P610I431-F476 HydrophobicContact CG2-CE1 4.3Å; I431-F476 HydrophobicContact CG2-CZ 4.38Å; L435-F476 HydrophobicContact CB-CE2 4.19Å; L435-F476 HydrophobicContact CB-CZ 4.32Å; L435-F476 HydrophobicContact CD1-CE2 4.41Å; L474-F476 HydrophobicContact CB-CD1 4.49Å; L474-F476 HydrophobicContact CB-CE1 4.08Å; L474-F476 HydrophobicContact CB-CE2 4.39Å; L474-F476 HydrophobicContact CB-CZ 4.02Å; L474-F476 HydrophobicContact CD1-CE1 3.83Å; L474-F476 HydrophobicContact CD1-CZ 3.98Å; F476-L608 HydrophobicContact CD1-CB 3.72Å; F476-L608 HydrophobicContact CD1-CD1 4.19Å; F476-L608 HydrophobicContact CE1-CB 4.09Å; F476-L608 HydrophobicContact CE1-CD1 3.68Å; F476-L608 HydrophobicContact CE1-CG 4.5Å; F476-L608 HydrophobicContact CG-CB 4.22Å; F476-L608 HydrophobicContact CZ-CD1 3.98Å; F476-P610 WeakPolarHBondContact O-CD 3.5Å
477S94.4Very high94.4Very high71 Ų7154.8 Ų54.850%0.49729%0.285SS..THydrogen-bonded Turntrans-77.4-23.317277.10000112.8D475 K613D475-S477 PolarHBondContact O-N 2.99Å; D475-S477 WeakPolarHBondContact OD1-CB 3.41Å; D475-S477 PolarHBondContact OD1-N 2.81Å; D475-S477 VanDerWaalsContact OD1-N 3.1Å; D475-S477 PolarHBondContact OD1-OG 2.93Å; S477-K613 PolarHBondContact O-NZ 3.14Å
478K95Very high94.3Very high140 Ų14057.4 Ų57.461%0.60930%0.299SS*.THydrogen-bonded Turntrans-107.7-37.3-173.3-68.1-176.3-165.3137.40114.4D475 K613D475-K478 HydrophobicContact CB-CB 4.16Å; D475-K478 HydrophobicContact CB-CG 4.48Å; D475-K478 WeakPolarHBondContact O-CA 3.2Å; D475-K478 PolarHBondContact O-N 2.86Å; D475-K478 WeakPolarHBondContact OD2-CD 3.28Å; D475-K478 WeakPolarHBondContact OD2-CE 3.46Å; D475-K478 WeakPolarHBondContact OD2-CG 3.34Å; D475-K478 IonicContact OD2-NZ 2.71Å; D475-K478 PolarHBondContact OD2-NZ 2.99Å; K478-K613 VanDerWaalsContact C-NZ 3.26Å; K478-K613 WeakPolarHBondContact O-CE 3.18Å; K478-K613 PolarHBondContact O-NZ 2.97Å
479V96.2Very high94.2Very high27 Ų2755.9 Ų55.916%0.16429%0.288CS..  trans-77.8146.8-173.9-59.40000112.9L474 D475 V484 V609L474-V479 HydrophobicContact CD2-CG1 4.34Å; L474-V479 HydrophobicContact CD2-CG2 4.43Å; D475-V479 WeakPolarHBondContact O-CG2 3.45Å; D475-V479 PolarHBondContact O-N 2.85Å; V479-V484 HydrophobicContact CB-CG2 3.97Å; V479-V484 HydrophobicContact CG2-CG2 3.94Å; V479-V609 HydrophobicContact CG2-CG1 4.25Å
480G96.3Very high94Very high9 Ų958.5 Ų58.59%0.09330%0.302CS..  trans-91151.9167.800000113.2D482 E483 V484 K613G480-D482 PolarHBondContact O-N 3.08Å; G480-E483 PolarHBondContact N-OE2 2.83Å; G480-E483 PolarHBondContact O-N 3.25Å; G480-V484 WeakPolarHBondContact O-CG2 3.34Å; G480-V484 PolarHBondContact O-N 2.81Å; G480-V484 VanDerWaalsContact O-N 3.12Å; G480-K613 WeakPolarHBondContact CA-O 3.5Å
481T96.8Very high94Very high0 Ų051.6 Ų51.60%027%0.272CS..Hα-helixtrans-61.6-45.5177.2-63.80000111.5E483 V484 I485 I602 L605 N606 V609 K613T481-E483 VanDerWaalsContact C-N 3.33Å; T481-E483 PolarHBondContact O-N 2.91Å; T481-V484 PolarHBondContact O-N 3.1Å; T481-I485 WeakPolarHBondContact O-CG1 3.15Å; T481-I485 PolarHBondContact O-N 3.24Å; T481-I602 HydrophobicContact CG2-CG2 4.12Å; T481-L605 HydrophobicContact CG2-CB 3.79Å; T481-L605 HydrophobicContact CG2-CD1 4.07Å; T481-N606 PolarHBondContact OG1-OD1 3.25Å; T481-V609 WeakPolarHBondContact OG1-CG2 3.43Å; T481-K613 PolarHBondContact N-O 2.85Å
482D94.6Very high93.7Very high24 Ų2450.1 Ų50.113%0.12827%0.271CS..Hα-helixtrans-65.4-36.7-178.4-62.5-40.5000112.4G480 I485 K486 S615 N616 Y617 F618G480-D482 PolarHBondContact O-N 3.08Å; D482-I485 PolarHBondContact O-N 2.83Å; D482-K486 VanDerWaalsContact O-CB 3.28Å; D482-K486 WeakPolarHBondContact O-CB 3.42Å; D482-K486 PolarHBondContact O-N 3.32Å; D482-S615 WeakPolarHBondContact OD1-CA 3.5Å; D482-S615 WeakPolarHBondContact OD1-CB 3.48Å; D482-S615 PolarHBondContact OD1-OG 3.11Å; D482-S615 WeakPolarHBondContact OD2-CA 3.36Å; D482-N616 PolarHBondContact OD2-N 3.15Å; D482-Y617 HydrophobicContact CB-CD2 4.23Å; D482-Y617 WeakPolarHBondContact OD2-CD2 3.49Å; D482-F618 WeakPolarHBondContact OD1-CD2 3.49Å
483E93.9Very high93.4Very high111 Ų11155.4 Ų55.452%0.51929%0.293SS..Hα-helixtrans-62.7-50.1175.6-62.9172.516800110.4G480 T481 I485 K486 D487G480-E483 PolarHBondContact N-OE2 2.83Å; G480-E483 PolarHBondContact O-N 3.25Å; T481-E483 VanDerWaalsContact C-N 3.33Å; T481-E483 PolarHBondContact O-N 2.91Å; E483-I485 VanDerWaalsContact C-N 3.33Å; E483-I485 PolarHBondContact O-N 2.8Å; E483-K486 PolarHBondContact O-N 3.47Å; E483-D487 VanDerWaalsContact O-CB 3.31Å; E483-D487 WeakPolarHBondContact O-CB 3.27Å; E483-D487 PolarHBondContact O-N 2.89Å
484V95.7Very high93Very high5 Ų550 Ų503%0.0326%0.257CS..Hα-helixtrans-59.4-44.3178.5174.70000111.2L474 V479 G480 T481 N488 L605L474-V484 HydrophobicContact CD2-CG1 4.39Å; L474-V484 HydrophobicContact CD2-CG2 3.77Å; V479-V484 HydrophobicContact CB-CG2 3.97Å; V479-V484 HydrophobicContact CG2-CG2 3.94Å; G480-V484 WeakPolarHBondContact O-CG2 3.34Å; G480-V484 PolarHBondContact O-N 2.81Å; G480-V484 VanDerWaalsContact O-N 3.12Å; T481-V484 PolarHBondContact O-N 3.1Å; V484-N488 VanDerWaalsContact O-CB 3.29Å; V484-N488 WeakPolarHBondContact O-CB 3.32Å; V484-N488 PolarHBondContact O-N 3.01Å; V484-N488 VanDerWaalsContact O-N 3.1Å; V484-N488 PolarHBondContact O-ND2 3.3Å; V484-L605 HydrophobicContact CB-CD1 4.16Å; V484-L605 HydrophobicContact CG1-CD1 3.85Å; V484-L605 HydrophobicContact CG1-CD2 4.1Å
485I95.3Very high92.5Very high0 Ų050 Ų500%026%0.259CS..Hα-helixtrans-63-49.3177.7-68.4-56.2000111.3L427 T481 D482 E483 L489 F491 V601 I602 L605 F618L427-I485 HydrophobicContact CD2-CD1 4.15Å; T481-I485 WeakPolarHBondContact O-CG1 3.15Å; T481-I485 PolarHBondContact O-N 3.24Å; D482-I485 PolarHBondContact O-N 2.83Å; E483-I485 VanDerWaalsContact C-N 3.33Å; E483-I485 PolarHBondContact O-N 2.8Å; I485-L489 HydrophobicContact CG2-CD1 4.21Å; I485-L489 VanDerWaalsContact O-CB 3.29Å; I485-L489 WeakPolarHBondContact O-CB 3.29Å; I485-L489 PolarHBondContact O-N 2.77Å; I485-F491 HydrophobicContact CG2-CD2 4.4Å; I485-F491 HydrophobicContact CG2-CE2 4.13Å; I485-V601 HydrophobicContact CD1-CG1 3.75Å; I485-I602 HydrophobicContact CD1-CD1 4.47Å; I485-I602 HydrophobicContact CD1-CG1 3.86Å; I485-I602 HydrophobicContact CG1-CD1 4.24Å; I485-I602 HydrophobicContact CG1-CG1 3.93Å; I485-L605 HydrophobicContact CD1-CD1 3.88Å; I485-L605 HydrophobicContact CG1-CD1 4.2Å; I485-F618 HydrophobicContact CG2-CE2 4.04Å; I485-F618 HydrophobicContact CG2-CZ 4.22Å
486K93.7Very high91.9Very high82 Ų8253.7 Ų53.736%0.35727%0.274SS..Hα-helixtrans-60.2-50.4-178.5-178.5-169.3169-1640111.2D482 E483 N490 F491 L494D482-K486 VanDerWaalsContact O-CB 3.28Å; D482-K486 WeakPolarHBondContact O-CB 3.42Å; D482-K486 PolarHBondContact O-N 3.32Å; E483-K486 PolarHBondContact O-N 3.47Å; K486-N490 PolarHBondContact O-N 3.38Å; K486-F491 HydrophobicContact CG-CB 4.13Å; K486-F491 PolarHBondContact O-N 3.33Å; K486-F491 VanDerWaalsContact O-N 3.13Å; K486-L494 HydrophobicContact CB-CD1 4.24Å
487D91.9Very high91.2Very high107 Ų10753.7 Ų53.757%0.57228%0.275SS*.Hα-helixtrans-73.6-31.4-170.9-65.4-11.7000112.4E483E483-D487 VanDerWaalsContact O-CB 3.31Å; E483-D487 WeakPolarHBondContact O-CB 3.27Å; E483-D487 PolarHBondContact O-N 2.89Å
488N93.2Very high90.4Very high54 Ų5457.3 Ų57.329%0.28929%0.289SS..Hα-helixtrans-98.2-17.2-176.2-65.8-89.9000114.3L427 V484L427-N488 HydrophobicContact CD1-CB 3.54Å; L427-N488 HydrophobicContact CD2-CB 3.88Å; L427-N488 HydrophobicContact CG-CB 4.3Å; V484-N488 VanDerWaalsContact O-CB 3.29Å; V484-N488 WeakPolarHBondContact O-CB 3.32Å; V484-N488 PolarHBondContact O-N 3.01Å; V484-N488 VanDerWaalsContact O-N 3.1Å; V484-N488 PolarHBondContact O-ND2 3.3Å
489L93.1Very high90.1Very high4 Ų457.4 Ų57.42%0.02130%0.295CS..THydrogen-bonded Turntrans-102.911.1172.4-59.8-175.6000113L423 I424 L427 I485 F491 F513 L598 I693L423-L489 HydrophobicContact CB-CD2 4.46Å; I424-L489 HydrophobicContact CG1-CD1 3.97Å; I424-L489 HydrophobicContact CG1-CD2 4.21Å; L427-L489 HydrophobicContact CB-CD2 4.24Å; L427-L489 HydrophobicContact CD2-CD1 4.32Å; L427-L489 HydrophobicContact CD2-CD2 3.81Å; L427-L489 HydrophobicContact CD2-CG 3.78Å; I485-L489 HydrophobicContact CG2-CD1 4.21Å; I485-L489 VanDerWaalsContact O-CB 3.29Å; I485-L489 WeakPolarHBondContact O-CB 3.29Å; I485-L489 PolarHBondContact O-N 2.77Å; L489-F491 VanDerWaalsContact C-N 3.31Å; L489-F491 HydrophobicContact CB-CD2 3.82Å; L489-F491 HydrophobicContact CB-CE2 3.63Å; L489-F491 HydrophobicContact CD1-CE2 4.05Å; L489-F491 HydrophobicContact CG-CE2 4.48Å; L489-F491 PolarHBondContact O-N 2.75Å; L489-F513 HydrophobicContact CB-CE2 4.2Å; L489-F513 HydrophobicContact CD1-CE2 4.45Å; L489-L598 HydrophobicContact CD1-CD1 4.17Å; L489-I693 WeakPolarHBondContact O-CG2 3.48Å
490N89.4Confident90Very high68 Ų6856.6 Ų56.636%0.36429%0.29SS..THydrogen-bonded Turntrans56.336.8175.3-60.4-19.2000114.4K486 V492 I693 S694K486-N490 PolarHBondContact O-N 3.38Å; N490-V492 PolarHBondContact O-N 2.74Å; N490-I693 HydrophobicContact CB-CG2 4.49Å; N490-I693 WeakPolarHBondContact O-CA 3.5Å; N490-S694 WeakPolarHBondContact CB-O 3.18Å; N490-S694 PolarHBondContact ND2-O 3.45Å; N490-S694 VanDerWaalsContact ND2-O 3.17Å; N490-S694 PolarHBondContact O-N 2.91Å
491F90.8Very high89.8Confident9 Ų959 Ų594%0.03930%0.304CS..BIsolated β-bridgetrans-68.8122.7171.9-74.9-81.5000109.5I485 K486 L489 K493 L494 V509 F513 I691 I693I485-F491 HydrophobicContact CG2-CD2 4.4Å; I485-F491 HydrophobicContact CG2-CE2 4.13Å; K486-F491 HydrophobicContact CG-CB 4.13Å; K486-F491 PolarHBondContact O-N 3.33Å; K486-F491 VanDerWaalsContact O-N 3.13Å; L489-F491 VanDerWaalsContact C-N 3.31Å; L489-F491 HydrophobicContact CB-CD2 3.82Å; L489-F491 HydrophobicContact CB-CE2 3.63Å; L489-F491 HydrophobicContact CD1-CE2 4.05Å; L489-F491 HydrophobicContact CG-CE2 4.48Å; L489-F491 PolarHBondContact O-N 2.75Å; F491-K493 VanDerWaalsContact C-N 3.3Å; F491-K493 PolarHBondContact O-N 3.45Å; F491-L494 HydrophobicContact CB-CD2 4.23Å; F491-L494 HydrophobicContact CB-CG 4.46Å; F491-L494 HydrophobicContact CD1-CD2 3.94Å; F491-L494 HydrophobicContact CD2-CD2 4.29Å; F491-L494 HydrophobicContact CE1-CD2 4.37Å; F491-L494 HydrophobicContact CG-CD2 3.89Å; F491-V509 HydrophobicContact CE1-CG1 3.84Å; F491-V509 HydrophobicContact CE2-CG1 4.49Å; F491-V509 HydrophobicContact CZ-CG1 3.53Å; F491-F513 HydrophobicContact CE2-CD2 4.43Å; F491-F513 AromaticContact CZ-CD2 3.88Å; F491-F513 HydrophobicContact CZ-CD2 3.88Å; F491-I691 HydrophobicContact CD1-CG2 4.14Å; F491-I691 HydrophobicContact CE1-CG2 3.94Å; F491-I693 HydrophobicContact CD1-CD1 4.33Å; F491-I693 HydrophobicContact CD1-CG1 3.62Å; F491-I693 HydrophobicContact CE1-CD1 3.77Å; F491-I693 HydrophobicContact CE1-CG1 3.59Å; F491-I693 HydrophobicContact CG-CG1 4.4Å; F491-I693 HydrophobicContact CZ-CD1 4.28Å; F491-I693 HydrophobicContact CZ-CG1 4.34Å
492V87.9Confident89.6Confident84 Ų8461.8 Ų61.851%0.50932%0.319SS..SBendtrans-59.8-47.3178177.80000109.5N490 E692N490-V492 PolarHBondContact O-N 2.74Å; V492-E692 HydrophobicContact CB-CB 4.1Å; V492-E692 HydrophobicContact CG2-CB 3.94Å; V492-E692 PolarHBondContact N-O 2.76Å
493K86Confident89.6Confident129 Ų12963.4 Ų63.456%0.56133%0.325SS*.  trans-153.2140.2169.4-177.3174.4178.1-179.80108.7F491 P495F491-K493 VanDerWaalsContact C-N 3.3Å; F491-K493 PolarHBondContact O-N 3.45Å; K493-P495 WeakPolarHBondContact O-CD 3.49Å
494L83.9Confident89.8Confident14 Ų1458.1 Ų58.17%0.07330%0.3CS..  trans-81.5113.6162-70.4177.2000107.4K486 F491 E496 F618K486-L494 HydrophobicContact CB-CD1 4.24Å; F491-L494 HydrophobicContact CB-CD2 4.23Å; F491-L494 HydrophobicContact CB-CG 4.46Å; F491-L494 HydrophobicContact CD1-CD2 3.94Å; F491-L494 HydrophobicContact CD2-CD2 4.29Å; F491-L494 HydrophobicContact CE1-CD2 4.37Å; F491-L494 HydrophobicContact CG-CD2 3.89Å; L494-E496 PolarHBondContact O-N 3.42Å; L494-F618 HydrophobicContact CD1-CE2 4.14Å; L494-F618 HydrophobicContact CD1-CZ 4.24Å; L494-F618 HydrophobicContact CD2-CZ 4.17Å
495P83.5Confident89.8Confident26 Ų2657.9 Ų57.917%0.16930%0.299CS..  trans-62.2138.7178.623.8-31.8000109.9K493 Y505 L687 I691K493-P495 WeakPolarHBondContact O-CD 3.49Å; P495-Y505 HydrophobicContact CG-CE2 4.17Å; P495-Y505 VanDerWaalsContact O-CE2 3.26Å; P495-Y505 WeakPolarHBondContact O-CE2 3.31Å; P495-Y505 PolarHBondContact O-OH 3.32Å; P495-L687 HydrophobicContact CB-CD1 3.98Å; P495-L687 HydrophobicContact CG-CD1 3.47Å; P495-L687 VanDerWaalsContact CG-CD1 3.47Å; P495-I691 HydrophobicContact CG-CD1 4.44Å; P495-I691 HydrophobicContact CG-CG1 3.74Å
496E82.6Confident89.9Confident141 Ų14157.9 Ų57.966%0.65930%0.299SS*.  trans-62135.7169.2-71.4174.2-155.600109.1L494L494-E496 PolarHBondContact O-N 3.42Å
497N80.6Confident90.1Very high22 Ų2254 Ų5412%0.11828%0.282CS..  trans-124.8109.2-178.2171.547.8000111.5L499 I500 Y505N497-L499 PolarHBondContact OD1-N 2.63Å; N497-I500 PolarHBondContact ND2-O 3.03Å; N497-I500 VanDerWaalsContact OD1-CG1 3.22Å; N497-I500 WeakPolarHBondContact OD1-CG1 3.3Å; N497-I500 PolarHBondContact OD1-N 3.39Å; N497-I500 VanDerWaalsContact OD1-N 3.15Å; N497-I500 PolarHBondContact OD1-O 2.69Å; N497-Y505 HydrophobicContact CB-CD2 3.3Å; N497-Y505 HydrophobicContact CB-CE2 3.65Å; N497-Y505 HydrophobicContact CB-CG 4.09Å; N497-Y505 WeakPolarHBondContact ND2-CB 3.29Å
498N79.2Confident90.4Very high148 Ų14848.9 Ų48.979%0.79125%0.254SS*.SBendtrans-117.90.6172-60.3-20.9000112.1
499L88.3Confident90.5Very high142 Ų14246.3 Ų46.374%0.74324%0.241SC*.SBendtrans-106.1-27.3-166.5-59.8176.3000113.5N497 T683N497-L499 PolarHBondContact OD1-N 2.63Å; L499-T683 HydrophobicContact CB-CG2 3.66Å; L499-T683 HydrophobicContact CD1-CG2 3.75Å; L499-T683 HydrophobicContact CG-CG2 4.37Å
500I92.8Very high90.8Very high9 Ų946.1 Ų46.15%0.04624%0.24CC..SBendtrans-126.2155177.160.6172000110.2N497 L504 T680 T683 F684 L687N497-I500 PolarHBondContact ND2-O 3.03Å; N497-I500 VanDerWaalsContact OD1-CG1 3.22Å; N497-I500 WeakPolarHBondContact OD1-CG1 3.3Å; N497-I500 PolarHBondContact OD1-N 3.39Å; N497-I500 VanDerWaalsContact OD1-N 3.15Å; N497-I500 PolarHBondContact OD1-O 2.69Å; I500-L504 HydrophobicContact CB-CB 4.34Å; I500-L504 HydrophobicContact CD1-CB 3.9Å; I500-L504 HydrophobicContact CG1-CB 4.4Å; I500-T680 HydrophobicContact CG2-CG2 4.24Å; I500-T683 HydrophobicContact CG2-CG2 3.98Å; I500-F684 HydrophobicContact CD1-CD2 3.99Å; I500-L687 HydrophobicContact CD1-CD2 3.55Å; I500-L687 HydrophobicContact CG1-CD2 4.36Å
501P92.7Very high91.2Very high60 Ų6042.9 Ų42.939%0.3922%0.222SC..  trans-55.4145.1172.2-2633.7000113.1F503 L504 Y505P501-F503 HydrophobicContact CB-CD1 3.78Å; P501-F503 HydrophobicContact CB-CE1 3.33Å; P501-F503 HydrophobicContact CB-CE2 4.19Å; P501-F503 HydrophobicContact CB-CG 4.39Å; P501-F503 HydrophobicContact CB-CZ 3.56Å; P501-F503 HydrophobicContact CG-CE1 4.12Å; P501-F503 HydrophobicContact CG-CZ 3.95Å; P501-F503 PolarHBondContact O-N 3.42Å; P501-F503 VanDerWaalsContact O-N 3.07Å; P501-L504 WeakPolarHBondContact O-CA 3.31Å; P501-L504 WeakPolarHBondContact O-CB 3.35Å; P501-L504 PolarHBondContact O-N 2.89Å; P501-Y505 PolarHBondContact O-N 3.38Å
502N93.6Very high91.5Very high59 Ų5942.5 Ų42.532%0.31622%0.221SC..Hα-helixtrans-57.4-26.6-177.1-73.23.9000114.3Y505 S506 N616 T619N502-Y505 WeakPolarHBondContact O-CB 3.29Å; N502-Y505 PolarHBondContact O-N 3.36Å; N502-S506 PolarHBondContact O-N 3Å; N502-S506 PolarHBondContact O-OG 3.03Å; N502-N616 PolarHBondContact ND2-O 2.66Å; N502-N616 VanDerWaalsContact ND2-O 3.1Å; N502-T619 VanDerWaalsContact C-OG1 3.32Å; N502-T619 HydrophobicContact CB-CG2 4.14Å; N502-T619 WeakPolarHBondContact CB-OG1 3.2Å
503F94.6Very high91.8Very high57 Ų5738.7 Ų38.725%0.2520%0.197CC..Hα-helixtrans-73.9-30.3174.662.4-100.1000113.8P501 L507 I546 T619 A621P501-F503 HydrophobicContact CB-CD1 3.78Å; P501-F503 HydrophobicContact CB-CE1 3.33Å; P501-F503 HydrophobicContact CB-CE2 4.19Å; P501-F503 HydrophobicContact CB-CG 4.39Å; P501-F503 HydrophobicContact CB-CZ 3.56Å; P501-F503 HydrophobicContact CG-CE1 4.12Å; P501-F503 HydrophobicContact CG-CZ 3.95Å; P501-F503 PolarHBondContact O-N 3.42Å; P501-F503 VanDerWaalsContact O-N 3.07Å; F503-L507 PolarHBondContact O-N 3.01Å; F503-I546 HydrophobicContact CD2-CD1 4.43Å; F503-I546 HydrophobicContact CE2-CD1 3.64Å; F503-I546 HydrophobicContact CE2-CG1 4.18Å; F503-T619 WeakPolarHBondContact CA-O 3.33Å; F503-T619 PolarHBondContact N-OG1 3.07Å; F503-A621 HydrophobicContact CB-CB 3.76Å; F503-A621 HydrophobicContact CD2-CB 3.73Å; F503-A621 HydrophobicContact CG-CB 3.84Å
504L96.8Very high92.4Very high1 Ų132.7 Ų32.71%0.00517%0.171CC..Hα-helixtrans-74.4-36.1169-75.8-177.3000110.7I500 P501 S506 L507 A508 I543 I546 T680 F684I500-L504 HydrophobicContact CB-CB 4.34Å; I500-L504 HydrophobicContact CD1-CB 3.9Å; I500-L504 HydrophobicContact CG1-CB 4.4Å; P501-L504 WeakPolarHBondContact O-CA 3.31Å; P501-L504 WeakPolarHBondContact O-CB 3.35Å; P501-L504 PolarHBondContact O-N 2.89Å; L504-S506 VanDerWaalsContact C-N 3.31Å; L504-S506 PolarHBondContact O-N 3.08Å; L504-L507 HydrophobicContact CD2-CD2 4.47Å; L504-L507 PolarHBondContact O-N 3.34Å; L504-A508 PolarHBondContact O-N 3.49Å; L504-I543 HydrophobicContact CD1-CD1 4.47Å; L504-I543 HydrophobicContact CD1-CG1 4.06Å; L504-I543 HydrophobicContact CD2-CG1 3.97Å; L504-I546 HydrophobicContact CD1-CD1 4.18Å; L504-I546 HydrophobicContact CD2-CD1 3.49Å; L504-I546 VanDerWaalsContact CD2-CD1 3.49Å; L504-I546 HydrophobicContact CG-CD1 3.97Å; L504-T680 HydrophobicContact CD1-CG2 3.94Å; L504-F684 HydrophobicContact CB-CD2 4.1Å; L504-F684 HydrophobicContact CB-CE2 4.19Å; L504-F684 HydrophobicContact CD2-CD2 4.35Å; L504-F684 HydrophobicContact CD2-CE2 4.13Å; L504-F684 WeakPolarHBondContact O-CE2 3.22Å
505Y96.6Very high92.9Very high0 Ų032.4 Ų32.40%017%0.169CC..Hα-helixtrans-55.6-48170.9179.3-93.1000112P495 N497 P501 N502 L507 A508 V509 Y617 F618 L687P495-Y505 HydrophobicContact CG-CE2 4.17Å; P495-Y505 VanDerWaalsContact O-CE2 3.26Å; P495-Y505 WeakPolarHBondContact O-CE2 3.31Å; P495-Y505 PolarHBondContact O-OH 3.32Å; N497-Y505 HydrophobicContact CB-CD2 3.3Å; N497-Y505 HydrophobicContact CB-CE2 3.65Å; N497-Y505 HydrophobicContact CB-CG 4.09Å; N497-Y505 WeakPolarHBondContact ND2-CB 3.29Å; P501-Y505 PolarHBondContact O-N 3.38Å; N502-Y505 WeakPolarHBondContact O-CB 3.29Å; N502-Y505 PolarHBondContact O-N 3.36Å; Y505-L507 VanDerWaalsContact C-N 3.31Å; Y505-L507 PolarHBondContact O-N 3.29Å; Y505-A508 WeakPolarHBondContact O-CB 3.19Å; Y505-A508 PolarHBondContact O-N 3.21Å; Y505-A508 VanDerWaalsContact O-N 3.08Å; Y505-V509 HydrophobicContact CD1-CG2 4.19Å; Y505-V509 HydrophobicContact CE1-CG2 3.73Å; Y505-V509 PolarHBondContact O-N 3.22Å; Y505-Y617 AromaticContact CE1-CD1 3.92Å; Y505-Y617 HydrophobicContact CE1-CD1 3.92Å; Y505-Y617 HydrophobicContact CE1-CG 4.29Å; Y505-Y617 AromaticContact CZ-CD1 3.82Å; Y505-F618 HydrophobicContact CD1-CD1 4.46Å; Y505-F618 HydrophobicContact CD1-CE1 4.37Å; Y505-F618 HydrophobicContact CE1-CD1 4.44Å; Y505-F618 AromaticContact CE1-CE1 3.99Å; Y505-F618 HydrophobicContact CE1-CE1 3.99Å; Y505-F618 HydrophobicContact CE1-CZ 4.3Å; Y505-L687 HydrophobicContact CD2-CD2 3.77Å; Y505-L687 HydrophobicContact CE2-CD2 4.33Å
506S97Very high93.4Very high0 Ų032.1 Ų32.10%017%0.166CC..Hα-helixtrans-60.8-40.6178-55.60000111.9N502 L504 V509 V510 F618 T619N502-S506 PolarHBondContact O-N 3Å; N502-S506 PolarHBondContact O-OG 3.03Å; L504-S506 VanDerWaalsContact C-N 3.31Å; L504-S506 PolarHBondContact O-N 3.08Å; S506-V509 PolarHBondContact O-N 3.36Å; S506-V510 VanDerWaalsContact O-CG2 3.31Å; S506-V510 WeakPolarHBondContact O-CG2 3.32Å; S506-V510 PolarHBondContact O-N 3.05Å; S506-F618 WeakPolarHBondContact OG-CA 3.28Å; S506-T619 VanDerWaalsContact CB-O 3.25Å; S506-T619 WeakPolarHBondContact CB-O 3.48Å; S506-T619 PolarHBondContact OG-N 2.99Å; S506-T619 PolarHBondContact OG-O 3.39Å
507L98Very high93.9Very high0 Ų026 Ų260%014%0.137CC..Hα-helixtrans-64.6-39.8173.2-178.263.3000112.2F503 L504 Y505 V509 V510 L511 A542 F595 L626 F627 F684F503-L507 PolarHBondContact O-N 3.01Å; L504-L507 HydrophobicContact CD2-CD2 4.47Å; L504-L507 PolarHBondContact O-N 3.34Å; Y505-L507 VanDerWaalsContact C-N 3.31Å; Y505-L507 PolarHBondContact O-N 3.29Å; L507-V509 VanDerWaalsContact C-N 3.34Å; L507-V509 PolarHBondContact O-N 2.88Å; L507-V510 WeakPolarHBondContact O-CB 3.35Å; L507-V510 PolarHBondContact O-N 2.92Å; L507-L511 HydrophobicContact CD1-CD1 4.39Å; L507-L511 HydrophobicContact CD1-CG 4.2Å; L507-L511 HydrophobicContact CG-CD1 4.13Å; L507-L511 HydrophobicContact CG-CG 4.34Å; L507-L511 WeakPolarHBondContact O-CG 3.34Å; L507-L511 PolarHBondContact O-N 3.5Å; L507-A542 HydrophobicContact CD2-CB 3.71Å; L507-F595 HydrophobicContact CD1-CD2 4.4Å; L507-L626 HydrophobicContact CB-CD1 4.43Å; L507-L626 HydrophobicContact CD1-CD1 4.5Å; L507-L626 HydrophobicContact CD2-CB 4.49Å; L507-L626 HydrophobicContact CD2-CD2 4.12Å; L507-F627 HydrophobicContact CD1-CE1 4.06Å; L507-F627 HydrophobicContact CD1-CZ 3.95Å; L507-F684 HydrophobicContact CB-CE2 4.27Å; L507-F684 HydrophobicContact CB-CZ 4.33Å; L507-F684 HydrophobicContact CD2-CE2 4.32Å; L507-F684 HydrophobicContact CD2-CZ 4.06Å; L507-F684 HydrophobicContact CG-CE2 4.34Å; L507-F684 HydrophobicContact CG-CZ 3.98Å
508A97.6Very high94.4Very high0 Ų025.8 Ų25.80%014%0.136CC..Hα-helixtrans-62-42.8176.700000111.3L504 Y505 L511 S512 F684 L687 I691L504-A508 PolarHBondContact O-N 3.49Å; Y505-A508 WeakPolarHBondContact O-CB 3.19Å; Y505-A508 PolarHBondContact O-N 3.21Å; Y505-A508 VanDerWaalsContact O-N 3.08Å; A508-L511 PolarHBondContact O-N 3.36Å; A508-S512 VanDerWaalsContact O-CB 3.31Å; A508-S512 WeakPolarHBondContact O-CB 3.43Å; A508-S512 PolarHBondContact O-N 3.16Å; A508-S512 PolarHBondContact O-OG 3.38Å; A508-F684 HydrophobicContact CB-CD2 4.27Å; A508-F684 HydrophobicContact CB-CE2 3.83Å; A508-F684 HydrophobicContact CB-CZ 3.99Å; A508-L687 HydrophobicContact CB-CD2 3.7Å; A508-L687 HydrophobicContact CB-CG 4.14Å; A508-I691 HydrophobicContact CB-CD1 4.39Å
509V96.6Very high94.8Very high0 Ų024.3 Ų24.30%012%0.123CC..Hα-helixtrans-60.9-45.2173.5173.40000111.1F491 Y505 S506 L507 L511 S512 F513 L598 F618 I691F491-V509 HydrophobicContact CE1-CG1 3.84Å; F491-V509 HydrophobicContact CE2-CG1 4.49Å; F491-V509 HydrophobicContact CZ-CG1 3.53Å; Y505-V509 HydrophobicContact CD1-CG2 4.19Å; Y505-V509 HydrophobicContact CE1-CG2 3.73Å; Y505-V509 PolarHBondContact O-N 3.22Å; S506-V509 PolarHBondContact O-N 3.36Å; L507-V509 VanDerWaalsContact C-N 3.34Å; L507-V509 PolarHBondContact O-N 2.88Å; V509-L511 PolarHBondContact O-N 2.85Å; V509-S512 PolarHBondContact O-N 3.38Å; V509-F513 WeakPolarHBondContact O-CB 3.32Å; V509-F513 PolarHBondContact O-N 2.97Å; V509-L598 HydrophobicContact CG1-CD2 4.19Å; V509-F618 HydrophobicContact CB-CE1 4.02Å; V509-F618 HydrophobicContact CG1-CE1 3.93Å; V509-F618 HydrophobicContact CG1-CZ 4.31Å; V509-F618 HydrophobicContact CG2-CE1 3.9Å; V509-F618 HydrophobicContact CG2-CZ 4.42Å; V509-I691 HydrophobicContact CG2-CD1 3.86Å
510V97.8Very high94.5Very high0 Ų020 Ų200%010%0.1CC..Hα-helixtrans-59-48176.6165.60000112S506 L507 F513 W514 T594 F595 L598S506-V510 VanDerWaalsContact O-CG2 3.31Å; S506-V510 WeakPolarHBondContact O-CG2 3.32Å; S506-V510 PolarHBondContact O-N 3.05Å; L507-V510 WeakPolarHBondContact O-CB 3.35Å; L507-V510 PolarHBondContact O-N 2.92Å; V510-F513 PolarHBondContact O-N 3.29Å; V510-W514 VanDerWaalsContact O-CB 3.31Å; V510-W514 WeakPolarHBondContact O-CB 3.4Å; V510-W514 PolarHBondContact O-N 2.92Å; V510-T594 HydrophobicContact CG1-CG2 4.04Å; V510-F595 HydrophobicContact CG1-CB 3.88Å; V510-F595 HydrophobicContact CG1-CD2 4.47Å; V510-F595 HydrophobicContact CG2-CB 4.4Å; V510-F595 HydrophobicContact CG2-CD2 4.1Å; V510-L598 HydrophobicContact CG2-CB 4.28Å; V510-L598 HydrophobicContact CG2-CD2 3.58Å
511L98.3Very high93.9Very high0 Ų019.9 Ų19.90%010%0.1CC..Hα-helixtrans-67.2-41.5-178.3-72178.4000111.6L507 A508 V509 F515 F529 V538 A539 I591 F684L507-L511 HydrophobicContact CD1-CD1 4.39Å; L507-L511 HydrophobicContact CD1-CG 4.2Å; L507-L511 HydrophobicContact CG-CD1 4.13Å; L507-L511 HydrophobicContact CG-CG 4.34Å; L507-L511 WeakPolarHBondContact O-CG 3.34Å; L507-L511 PolarHBondContact O-N 3.5Å; A508-L511 PolarHBondContact O-N 3.36Å; V509-L511 PolarHBondContact O-N 2.85Å; L511-F515 WeakPolarHBondContact O-CB 3.32Å; L511-F515 PolarHBondContact O-N 3.4Å; L511-F529 HydrophobicContact CB-CE2 3.77Å; L511-F529 HydrophobicContact CB-CZ 4.16Å; L511-F529 HydrophobicContact CD1-CE2 4.26Å; L511-F529 HydrophobicContact CD1-CZ 3.9Å; L511-F529 HydrophobicContact CG-CE2 4.43Å; L511-V538 HydrophobicContact CD1-CG1 4.46Å; L511-V538 HydrophobicContact CD2-CB 4.46Å; L511-V538 HydrophobicContact CD2-CG1 4.11Å; L511-A539 HydrophobicContact CD1-CB 4.26Å; L511-I591 HydrophobicContact CD2-CB 4.49Å; L511-I591 HydrophobicContact CD2-CD1 3.79Å; L511-I591 HydrophobicContact CD2-CG1 4.03Å; L511-I591 HydrophobicContact CD2-CG2 3.63Å; L511-F684 HydrophobicContact CD1-CE1 3.82Å; L511-F684 HydrophobicContact CD1-CZ 3.79Å
512S96.6Very high93Very high1 Ų123.2 Ų23.21%0.00712%0.124CC..Hα-helixtrans-64.5-43.8176.7-52.40000111.2A508 V509 F515 Q516 C688A508-S512 VanDerWaalsContact O-CB 3.31Å; A508-S512 WeakPolarHBondContact O-CB 3.43Å; A508-S512 PolarHBondContact O-N 3.16Å; A508-S512 PolarHBondContact O-OG 3.38Å; V509-S512 PolarHBondContact O-N 3.38Å; S512-F515 PolarHBondContact O-N 3.17Å; S512-Q516 WeakPolarHBondContact O-CB 3.28Å; S512-Q516 WeakPolarHBondContact O-CG 3.39Å; S512-Q516 PolarHBondContact O-N 2.84Å; S512-C688 VanDerWaalsContact OG-CA 3.25Å; S512-C688 WeakPolarHBondContact OG-CA 3.12Å; S512-C688 PolarHBondContact OG-O 3.36Å
513F96.1Very high92.4Very high3 Ų323.8 Ų23.81%0.01313%0.127CC..Hα-helixtrans-61.7-53.7176.2-170.6-84.6000111T420 L423 I424 L489 F491 V509 V510 F515 Q516 Q517 T594 I693T420-F513 WeakPolarHBondContact O-CE1 3.16Å; L423-F513 HydrophobicContact CB-CZ 4.15Å; L423-F513 HydrophobicContact CD1-CZ 4.49Å; I424-F513 HydrophobicContact CD1-CD1 3.82Å; I424-F513 HydrophobicContact CD1-CE1 3.63Å; I424-F513 HydrophobicContact CD1-CG 4.48Å; I424-F513 HydrophobicContact CD1-CZ 4.17Å; I424-F513 HydrophobicContact CG1-CD1 4.43Å; I424-F513 HydrophobicContact CG1-CE1 3.78Å; I424-F513 HydrophobicContact CG1-CZ 3.86Å; L489-F513 HydrophobicContact CB-CE2 4.2Å; L489-F513 HydrophobicContact CD1-CE2 4.45Å; F491-F513 HydrophobicContact CE2-CD2 4.43Å; F491-F513 AromaticContact CZ-CD2 3.88Å; F491-F513 HydrophobicContact CZ-CD2 3.88Å; V509-F513 WeakPolarHBondContact O-CB 3.32Å; V509-F513 PolarHBondContact O-N 2.97Å; V510-F513 PolarHBondContact O-N 3.29Å; F513-F515 VanDerWaalsContact C-N 3.33Å; F513-F515 PolarHBondContact O-N 2.6Å; F513-Q516 PolarHBondContact O-N 3.49Å; F513-Q517 HydrophobicContact CD1-CG 3.84Å; F513-Q517 HydrophobicContact CE1-CG 3.56Å; F513-Q517 HydrophobicContact CZ-CG 4.11Å; F513-Q517 VanDerWaalsContact O-CG 3.28Å; F513-Q517 WeakPolarHBondContact O-CG 3.44Å; F513-Q517 PolarHBondContact O-N 3.36Å; F513-T594 HydrophobicContact CD1-CG2 3.8Å; F513-I693 VanDerWaalsContact CA-CD1 3.48Å; F513-I693 HydrophobicContact CB-CD1 3.88Å; F513-I693 HydrophobicContact CD2-CD1 3.45Å; F513-I693 VanDerWaalsContact CD2-CD1 3.45Å; F513-I693 HydrophobicContact CD2-CG1 4.42Å; F513-I693 HydrophobicContact CE2-CD1 4.29Å; F513-I693 HydrophobicContact CG-CD1 4Å
514W96.5Very high91.9Very high3 Ų330.2 Ų30.21%0.01116%0.158CC..Hα-helixtrans-53.1-50.3176.1162.677.9000111.7V510 Q516 Q517 L518 V534 I591 T594V510-W514 VanDerWaalsContact O-CB 3.31Å; V510-W514 WeakPolarHBondContact O-CB 3.4Å; V510-W514 PolarHBondContact O-N 2.92Å; W514-Q516 PolarHBondContact O-N 3.44Å; W514-Q517 PolarHBondContact O-N 2.99Å; W514-L518 HydrophobicContact CH2-CD1 4.04Å; W514-L518 HydrophobicContact CZ2-CD1 3.67Å; W514-L518 PolarHBondContact O-N 3.43Å; W514-V534 HydrophobicContact CH2-CB 4.29Å; W514-I591 HydrophobicContact CB-CG1 4.42Å; W514-I591 HydrophobicContact CD2-CD1 3.97Å; W514-I591 HydrophobicContact CD2-CG1 3.34Å; W514-I591 HydrophobicContact CE3-CD1 3.86Å; W514-I591 HydrophobicContact CE3-CG1 3.69Å; W514-I591 HydrophobicContact CG-CG1 3.66Å; W514-I591 HydrophobicContact CH2-CD1 3.9Å; W514-I591 HydrophobicContact CH2-CG1 4.32Å; W514-I591 HydrophobicContact CZ2-CD1 3.99Å; W514-I591 HydrophobicContact CZ2-CG1 4.02Å; W514-I591 HydrophobicContact CZ3-CD1 3.83Å; W514-I591 HydrophobicContact CZ3-CG1 4.16Å; W514-T594 HydrophobicContact CB-CG2 4.32Å
515F96.2Very high91.6Very high9 Ų932.2 Ų32.24%0.03917%0.168CC..Hα-helixtrans-61.7-43.5-177.2-177.2-106000112.2L511 S512 F513 L518 I525 P526 V528 F529L511-F515 WeakPolarHBondContact O-CB 3.32Å; L511-F515 PolarHBondContact O-N 3.4Å; S512-F515 PolarHBondContact O-N 3.17Å; F513-F515 VanDerWaalsContact C-N 3.33Å; F513-F515 PolarHBondContact O-N 2.6Å; F515-L518 HydrophobicContact CD2-CD1 4.48Å; F515-L518 WeakPolarHBondContact O-CB 3.4Å; F515-L518 PolarHBondContact O-N 3.42Å; F515-I525 HydrophobicContact CE2-CB 4.45Å; F515-I525 HydrophobicContact CE2-CD1 4.44Å; F515-I525 HydrophobicContact CZ-CD1 4.36Å; F515-P526 HydrophobicContact CZ-CB 4.4Å; F515-P526 VanDerWaalsContact CZ-O 3.27Å; F515-P526 WeakPolarHBondContact CZ-O 3.41Å; F515-V528 WeakPolarHBondContact CZ-O 3.35Å; F515-F529 HydrophobicContact CB-CD2 4.15Å; F515-F529 HydrophobicContact CD1-CB 4.05Å; F515-F529 HydrophobicContact CD2-CD2 4.45Å; F515-F529 HydrophobicContact CE1-CB 4.22Å; F515-F529 HydrophobicContact CG-CB 4.37Å; F515-F529 HydrophobicContact CG-CD2 4.18Å
516Q93.9Very high91.3Very high19 Ų1933.5 Ų33.59%0.08918%0.176CC..Hα-helixtrans-68.3-36.1177.1-72.4179.565.500112.2S512 F513 W514 L518 K519 I691 I693 L695S512-Q516 WeakPolarHBondContact O-CB 3.28Å; S512-Q516 WeakPolarHBondContact O-CG 3.39Å; S512-Q516 PolarHBondContact O-N 2.84Å; F513-Q516 PolarHBondContact O-N 3.49Å; W514-Q516 PolarHBondContact O-N 3.44Å; Q516-L518 PolarHBondContact O-N 3.23Å; Q516-K519 VanDerWaalsContact O-CB 3.3Å; Q516-K519 WeakPolarHBondContact O-CB 3.44Å; Q516-K519 WeakPolarHBondContact O-CG 3.33Å; Q516-K519 PolarHBondContact O-N 3.01Å; Q516-K519 VanDerWaalsContact O-N 3.07Å; Q516-I691 PolarHBondContact NE2-O 2.9Å; Q516-I693 HydrophobicContact CB-CD1 4.43Å; Q516-I693 PolarHBondContact OE1-O 3.43Å; Q516-L695 HydrophobicContact CB-CD1 4.41Å; Q516-L695 VanDerWaalsContact O-CD1 3.28Å; Q516-L695 WeakPolarHBondContact O-CD1 3.46Å
517Q92.3Very high91Very high13 Ų1338.7 Ų38.76%0.06121%0.212CC..Hα-helixtrans-63-23.8174.8-67.4-54-39.700113.1T420 F513 W514 K519 N520T420-Q517 HydrophobicContact CG2-CB 4.22Å; F513-Q517 HydrophobicContact CD1-CG 3.84Å; F513-Q517 HydrophobicContact CE1-CG 3.56Å; F513-Q517 HydrophobicContact CZ-CG 4.11Å; F513-Q517 VanDerWaalsContact O-CG 3.28Å; F513-Q517 WeakPolarHBondContact O-CG 3.44Å; F513-Q517 PolarHBondContact O-N 3.36Å; W514-Q517 PolarHBondContact O-N 2.99Å; Q517-K519 PolarHBondContact O-N 3.16Å; Q517-N520 WeakPolarHBondContact O-CB 3.41Å; Q517-N520 PolarHBondContact O-N 3Å; Q517-N520 VanDerWaalsContact O-N 3.15Å; Q517-N520 PolarHBondContact OE1-ND2 2.94Å
518L91.1Very high90.9Very high17 Ų1741.9 Ų41.99%0.08923%0.232CC..G310 helixtrans-63.6-24.9174.3-62.7177.4000112.8T420 W514 F515 Q516 N520 T521 I525T420-L518 HydrophobicContact CG2-CD2 3.94Å; W514-L518 HydrophobicContact CH2-CD1 4.04Å; W514-L518 HydrophobicContact CZ2-CD1 3.67Å; W514-L518 PolarHBondContact O-N 3.43Å; F515-L518 HydrophobicContact CD2-CD1 4.48Å; F515-L518 WeakPolarHBondContact O-CB 3.4Å; F515-L518 PolarHBondContact O-N 3.42Å; Q516-L518 PolarHBondContact O-N 3.23Å; L518-N520 PolarHBondContact O-N 3.49Å; L518-N520 VanDerWaalsContact O-N 3.1Å; L518-T521 WeakPolarHBondContact O-CB 3.16Å; L518-T521 PolarHBondContact O-N 2.97Å; L518-T521 PolarHBondContact O-OG1 2.87Å; L518-I525 HydrophobicContact CB-CD1 3.96Å; L518-I525 HydrophobicContact CB-CG2 3.84Å; L518-I525 HydrophobicContact CD1-CG2 3.93Å
519K87.6Confident90.9Very high118 Ų11842.1 Ų42.151%0.51323%0.233SC..G310 helixtrans-58.3-25.5174.7-63.7178.4179.4179.70112.4Q516 Q517 T521 I525 L695Q516-K519 VanDerWaalsContact O-CB 3.3Å; Q516-K519 WeakPolarHBondContact O-CB 3.44Å; Q516-K519 WeakPolarHBondContact O-CG 3.33Å; Q516-K519 PolarHBondContact O-N 3.01Å; Q516-K519 VanDerWaalsContact O-N 3.07Å; Q517-K519 PolarHBondContact O-N 3.16Å; K519-T521 VanDerWaalsContact C-N 3.34Å; K519-I525 HydrophobicContact CG-CD1 3.64Å; K519-L695 HydrophobicContact CB-CD1 4.07Å; K519-L695 HydrophobicContact CD-CD1 4.1Å
520N82.8Confident90.9Very high50 Ų5042.9 Ų42.927%0.26724%0.238SC..G310 helixtrans-86.72.5177.2-65-26.7000113.8Q517 L518Q517-N520 WeakPolarHBondContact O-CB 3.41Å; Q517-N520 PolarHBondContact O-N 3Å; Q517-N520 VanDerWaalsContact O-N 3.15Å; Q517-N520 PolarHBondContact OE1-ND2 2.94Å; L518-N520 PolarHBondContact O-N 3.49Å; L518-N520 VanDerWaalsContact O-N 3.1Å
521T78.9Confident90.8Very high8 Ų843 Ų435%0.04924%0.24CC..G310 helixtrans-107.64-170.764.50000114.7L415 K419 L518 K519 I523L415-T521 HydrophobicContact CD1-CG2 3.7Å; K419-T521 HydrophobicContact CG-CG2 4.19Å; L518-T521 WeakPolarHBondContact O-CB 3.16Å; L518-T521 PolarHBondContact O-N 2.97Å; L518-T521 PolarHBondContact O-OG1 2.87Å; K519-T521 VanDerWaalsContact C-N 3.34Å; T521-I523 PolarHBondContact O-N 2.64Å; T521-I523 WeakPolarHBondContact OG1-CD1 3.27Å; T521-I523 WeakPolarHBondContact OG1-CG1 3.23Å
522S74.6Confident90.8Very high129 Ų12943.5 Ų43.590%0.90224%0.243SC*.THydrogen-bonded Turntrans58.84.6-172.7-53.20000115
523I80.7Confident90.8Very high71 Ų7144 Ų4436%0.36425%0.247SC..  trans-74.2131.9175.3-61.6174.7000108.1T521 I525T521-I523 PolarHBondContact O-N 2.64Å; T521-I523 WeakPolarHBondContact OG1-CD1 3.27Å; T521-I523 WeakPolarHBondContact OG1-CG1 3.23Å; I523-I525 HydrophobicContact CB-CG2 4.48Å; I523-I525 HydrophobicContact CG2-CG2 4.08Å; I523-I525 PolarHBondContact O-N 3.11Å
524E84.2Confident90.9Very high193 Ų19344.1 Ų44.190%0.90225%0.248SC*.  trans-65.1118.8170.6-171.9176.2-177.800109.2
525I89.8Confident91Very high42 Ų4244 Ų4422%0.21525%0.247CC..  trans-126.6153179.164.7171.1000110.3F515 L518 K519 I523F515-I525 HydrophobicContact CE2-CB 4.45Å; F515-I525 HydrophobicContact CE2-CD1 4.44Å; F515-I525 HydrophobicContact CZ-CD1 4.36Å; L518-I525 HydrophobicContact CB-CD1 3.96Å; L518-I525 HydrophobicContact CB-CG2 3.84Å; L518-I525 HydrophobicContact CD1-CG2 3.93Å; K519-I525 HydrophobicContact CG-CD1 3.64Å; I523-I525 HydrophobicContact CB-CG2 4.48Å; I523-I525 HydrophobicContact CG2-CG2 4.08Å; I523-I525 PolarHBondContact O-N 3.11Å
526P91.9Very high91.1Very high28 Ų2843.6 Ų43.618%0.18225%0.245CC..  trans-54.8155.5170.3-24.333.5000112.5F515 V528 G531 P645F515-P526 HydrophobicContact CZ-CB 4.4Å; F515-P526 VanDerWaalsContact CZ-O 3.27Å; F515-P526 WeakPolarHBondContact CZ-O 3.41Å; P526-V528 VanDerWaalsContact C-N 3.29Å; P526-V528 PolarHBondContact O-N 3.25Å; P526-G531 VanDerWaalsContact CG-C 3.49Å; P526-G531 WeakPolarHBondContact CG-O 3.48Å; P526-P645 HydrophobicContact CB-CB 4.32Å; P526-P645 HydrophobicContact CG-CB 4.43Å
527S90.8Very high91.3Very high108 Ų10842.7 Ų42.776%0.75524%0.241SC*.SBendtrans-65.6-31.2178.853.90000113.6
528V95Very high91.6Very high68 Ų6842.1 Ų42.141%0.41224%0.238SC..SBendtrans-131.3154.5-177.3-66.50000110.8F515 P526 S530 G531F515-V528 WeakPolarHBondContact CZ-O 3.35Å; P526-V528 VanDerWaalsContact C-N 3.29Å; P526-V528 PolarHBondContact O-N 3.25Å; V528-S530 VanDerWaalsContact CG2-OG 3.31Å; V528-S530 WeakPolarHBondContact CG2-OG 3.29Å; V528-S530 PolarHBondContact O-N 2.89Å; V528-G531 PolarHBondContact O-N 2.86Å
529F96.6Very high91.9Very high4 Ų441.3 Ų41.32%0.01823%0.234CC..G310 helixtrans-61.5-34.6-177.4168-89000111.5L511 F515 G531 S532 L536 C688 D689L511-F529 HydrophobicContact CB-CE2 3.77Å; L511-F529 HydrophobicContact CB-CZ 4.16Å; L511-F529 HydrophobicContact CD1-CE2 4.26Å; L511-F529 HydrophobicContact CD1-CZ 3.9Å; L511-F529 HydrophobicContact CG-CE2 4.43Å; F515-F529 HydrophobicContact CB-CD2 4.15Å; F515-F529 HydrophobicContact CD1-CB 4.05Å; F515-F529 HydrophobicContact CD2-CD2 4.45Å; F515-F529 HydrophobicContact CE1-CB 4.22Å; F515-F529 HydrophobicContact CG-CB 4.37Å; F515-F529 HydrophobicContact CG-CD2 4.18Å; F529-G531 PolarHBondContact O-N 3.21Å; F529-S532 WeakPolarHBondContact O-CB 3.43Å; F529-S532 PolarHBondContact O-N 2.95Å; F529-L536 HydrophobicContact CE1-CD2 4.47Å; F529-C688 HydrophobicContact CB-CB 4.3Å; F529-C688 HydrophobicContact CD1-CB 3.39Å; F529-C688 HydrophobicContact CD2-CB 4.42Å; F529-C688 HydrophobicContact CE1-CB 3.76Å; F529-C688 HydrophobicContact CG-CB 3.77Å; F529-C688 HydrophobicContact CZ-CB 4.41Å; F529-D689 WeakPolarHBondContact CA-OD1 3.31Å; F529-D689 VanDerWaalsContact CB-OD1 3.27Å; F529-D689 WeakPolarHBondContact CB-OD1 3.41Å; F529-D689 PolarHBondContact N-OD1 3.45Å
530S96.9Very high92.4Very high17 Ų1735.7 Ų35.712%0.11921%0.21CC..G310 helixtrans-60.9-9.7174.848.20000115.1V528 L536 D689V528-S530 VanDerWaalsContact CG2-OG 3.31Å; V528-S530 WeakPolarHBondContact CG2-OG 3.29Å; V528-S530 PolarHBondContact O-N 2.89Å; S530-L536 WeakPolarHBondContact O-CD1 3.29Å; S530-D689 WeakPolarHBondContact CB-OD2 3.38Å; S530-D689 PolarHBondContact N-OD1 3.38Å; S530-D689 PolarHBondContact OG-OD2 3.41Å
531G96.4Very high93.2Very high3 Ų333.3 Ų33.33%0.03120%0.197CC..G310 helixtrans-92.1-7.4168.100000114.6P526 V528 F529 S533 R648P526-G531 VanDerWaalsContact CG-C 3.49Å; P526-G531 WeakPolarHBondContact CG-O 3.48Å; V528-G531 PolarHBondContact O-N 2.86Å; F529-G531 PolarHBondContact O-N 3.21Å; G531-S533 PolarHBondContact O-N 2.83Å; G531-R648 WeakPolarHBondContact O-CD 3.43Å; G531-R648 PolarHBondContact O-NH1 3.45Å
532S97.2Very high94.1Very high9 Ų933 Ų336%0.06320%0.195CC..  trans-77.8117.8-175.5-175.90000111.9F529 G535 L536F529-S532 WeakPolarHBondContact O-CB 3.43Å; F529-S532 PolarHBondContact O-N 2.95Å; S532-G535 PolarHBondContact OG-N 3.06Å; S532-G535 VanDerWaalsContact OG-N 3.12Å; S532-L536 VanDerWaalsContact O-CB 3.26Å; S532-L536 WeakPolarHBondContact O-CB 3.4Å; S532-L536 WeakPolarHBondContact O-CG 3.4Å; S532-L536 PolarHBondContact O-N 3.33Å
533S97.3Very high95.2Very high12 Ų1226.8 Ų26.88%0.08415%0.152CC..Hα-helixtrans-62.2-50177.452.60000111.8G531 A537G531-S533 PolarHBondContact O-N 2.83Å; S533-A537 VanDerWaalsContact O-CB 3.31Å; S533-A537 WeakPolarHBondContact O-CB 3.47Å; S533-A537 PolarHBondContact O-N 3.45Å
534V97.8Very high95.9Very high6 Ų623.4 Ų23.44%0.03614%0.135CC..Hα-helixtrans-69.8-42.6179.6-175.40000111.6W514 L536 A537 V538 V584 F588 I591 A637W514-V534 HydrophobicContact CH2-CB 4.29Å; V534-L536 PolarHBondContact O-N 3.18Å; V534-A537 PolarHBondContact O-N 2.9Å; V534-V538 HydrophobicContact CG1-CG2 4.5Å; V534-V538 WeakPolarHBondContact O-CG2 3.3Å; V534-V538 PolarHBondContact O-N 3Å; V534-V584 HydrophobicContact CG2-CG1 4.27Å; V534-F588 HydrophobicContact CG1-CB 4.45Å; V534-I591 HydrophobicContact CG1-CD1 3.91Å; V534-A637 HydrophobicContact CG2-CB 4.05Å
535G98.3Very high96.5Very high0 Ų014.6 Ų14.60%09%0.094CC..Hα-helixtrans-60.2-46.6179.200000112.2S532 V538 A539S532-G535 PolarHBondContact OG-N 3.06Å; S532-G535 VanDerWaalsContact OG-N 3.12Å; G535-V538 PolarHBondContact O-N 2.9Å; G535-A539 WeakPolarHBondContact O-CB 3.48Å; G535-A539 PolarHBondContact O-N 2.85Å
536L98.6Very high96.7Very high0 Ų014.3 Ų14.30%09%0.092CC..Hα-helixtrans-67.4-37.3175.9-72.1176.7000112.9F529 S530 S532 V534 A539 S540 L640 R648 V652 I685F529-L536 HydrophobicContact CE1-CD2 4.47Å; S530-L536 WeakPolarHBondContact O-CD1 3.29Å; S532-L536 VanDerWaalsContact O-CB 3.26Å; S532-L536 WeakPolarHBondContact O-CB 3.4Å; S532-L536 WeakPolarHBondContact O-CG 3.4Å; S532-L536 PolarHBondContact O-N 3.33Å; V534-L536 PolarHBondContact O-N 3.18Å; L536-A539 PolarHBondContact O-N 3.33Å; L536-S540 VanDerWaalsContact O-CB 3.32Å; L536-S540 WeakPolarHBondContact O-CB 3.28Å; L536-S540 PolarHBondContact O-N 2.86Å; L536-S540 PolarHBondContact O-OG 3.49Å; L536-L640 HydrophobicContact CB-CD1 4.03Å; L536-R648 HydrophobicContact CD1-CB 3.72Å; L536-V652 HydrophobicContact CB-CG2 4.05Å; L536-V652 HydrophobicContact CD1-CG2 4.19Å; L536-I685 HydrophobicContact CD2-CD1 3.57Å; L536-I685 HydrophobicContact CD2-CG1 3.89Å
537A98.4Very high96.8Very high0 Ų014.8 Ų14.80%09%0.091CC..Hα-helixtrans-61.8-45.3176.200000111.5S533 V534 S540 C541 V633 L636 A637 L640S533-A537 VanDerWaalsContact O-CB 3.31Å; S533-A537 WeakPolarHBondContact O-CB 3.47Å; S533-A537 PolarHBondContact O-N 3.45Å; V534-A537 PolarHBondContact O-N 2.9Å; A537-S540 PolarHBondContact O-OG 2.95Å; A537-S540 VanDerWaalsContact O-OG 3.06Å; A537-C541 WeakPolarHBondContact O-CB 3.37Å; A537-C541 PolarHBondContact O-N 2.78Å; A537-C541 PolarHBondContact O-SG 3.45Å; A537-V633 HydrophobicContact CB-CG1 4.23Å; A537-L636 HydrophobicContact CB-CB 4.05Å; A537-L636 HydrophobicContact CB-CD2 4.08Å; A537-L636 HydrophobicContact CB-CG 3.89Å; A537-A637 HydrophobicContact CB-CB 3.83Å; A537-L640 HydrophobicContact CB-CD1 4.45Å
538V98.6Very high96.9Very high1 Ų19.7 Ų9.71%0.0066%0.055CC..Hα-helixtrans-62.8-49.6175.1171.50000111.2L511 V534 G535 S540 C541 A542 F588 I591 F627 V633L511-V538 HydrophobicContact CD1-CG1 4.46Å; L511-V538 HydrophobicContact CD2-CB 4.46Å; L511-V538 HydrophobicContact CD2-CG1 4.11Å; V534-V538 HydrophobicContact CG1-CG2 4.5Å; V534-V538 WeakPolarHBondContact O-CG2 3.3Å; V534-V538 PolarHBondContact O-N 3Å; G535-V538 PolarHBondContact O-N 2.9Å; V538-S540 PolarHBondContact O-N 2.88Å; V538-C541 PolarHBondContact O-N 3.19Å; V538-A542 WeakPolarHBondContact O-CB 3.29Å; V538-A542 PolarHBondContact O-N 2.84Å; V538-F588 HydrophobicContact CG2-CD2 3.7Å; V538-F588 HydrophobicContact CG2-CE2 4Å; V538-I591 HydrophobicContact CG1-CG2 4.45Å; V538-I591 HydrophobicContact CG2-CD1 3.91Å; V538-F627 HydrophobicContact CG1-CD1 3.95Å; V538-F627 HydrophobicContact CG1-CE1 3.7Å; V538-V633 HydrophobicContact CG2-CG1 3.76Å; V538-V633 HydrophobicContact CG2-CG2 4.35Å
539A98.5Very high96Very high0 Ų012.9 Ų12.90%07%0.07CC..Hα-helixtrans-59-46.2-178.600000112.4L511 G535 L536 I543 L681 F684L511-A539 HydrophobicContact CD1-CB 4.26Å; G535-A539 WeakPolarHBondContact O-CB 3.48Å; G535-A539 PolarHBondContact O-N 2.85Å; L536-A539 PolarHBondContact O-N 3.33Å; A539-I543 WeakPolarHBondContact O-CB 3.49Å; A539-I543 WeakPolarHBondContact O-CG1 3.31Å; A539-I543 PolarHBondContact O-N 2.97Å; A539-L681 HydrophobicContact CB-CD1 4.17Å; A539-F684 HydrophobicContact CB-CD1 3.94Å; A539-F684 HydrophobicContact CB-CE1 3.53Å; A539-F684 HydrophobicContact CB-CZ 4.39Å
540S98.1Very high95Very high0 Ų016.3 Ų16.30%011%0.106CC..Hα-helixtrans-68.5-41179.455.30000112.6L536 A537 V538 A544 L636L536-S540 VanDerWaalsContact O-CB 3.32Å; L536-S540 WeakPolarHBondContact O-CB 3.28Å; L536-S540 PolarHBondContact O-N 2.86Å; L536-S540 PolarHBondContact O-OG 3.49Å; A537-S540 PolarHBondContact O-OG 2.95Å; A537-S540 VanDerWaalsContact O-OG 3.06Å; V538-S540 PolarHBondContact O-N 2.88Å; S540-A544 WeakPolarHBondContact O-CB 3.44Å; S540-A544 PolarHBondContact O-N 3.12Å; S540-L636 WeakPolarHBondContact OG-CD2 3.11Å
541C98Very high94.3Very high1 Ų116.5 Ų16.51%0.00711%0.108CC..Hα-helixtrans-62.8-45.5174.6-68.90000111.6A537 V538 N545 P628 V633A537-C541 WeakPolarHBondContact O-CB 3.37Å; A537-C541 PolarHBondContact O-N 2.78Å; A537-C541 PolarHBondContact O-SG 3.45Å; V538-C541 PolarHBondContact O-N 3.19Å; C541-N545 WeakPolarHBondContact O-CB 3.35Å; C541-N545 PolarHBondContact O-N 3.2Å; C541-P628 HydrophobicContact CB-CG 4.42Å; C541-V633 HydrophobicContact CB-CG2 4.17Å
542A97.8Very high93.8Very high0 Ų019 Ų190%013%0.125CC..Hα-helixtrans-59.4-52.6178.300000111.4L507 V538 N545 I546 L626L507-A542 HydrophobicContact CD2-CB 3.71Å; V538-A542 WeakPolarHBondContact O-CB 3.29Å; V538-A542 PolarHBondContact O-N 2.84Å; A542-N545 PolarHBondContact O-N 2.95Å; A542-I546 WeakPolarHBondContact O-CD1 3.36Å; A542-I546 WeakPolarHBondContact O-CG1 3.4Å; A542-I546 PolarHBondContact O-N 2.94Å; A542-L626 HydrophobicContact CB-CB 4.5Å; A542-L626 HydrophobicContact CB-CD2 4.33Å; A542-L626 VanDerWaalsContact CB-O 3.29Å; A542-L626 WeakPolarHBondContact CB-O 3.47Å
543I97.8Very high93.3Very high0 Ų021 Ų210%013%0.134CC..Hα-helixtrans-66.8-46.2-177.3-71.6171.8000110.9L504 A539 N545 I546 Y547 V677 T680 L681 F684L504-I543 HydrophobicContact CD1-CD1 4.47Å; L504-I543 HydrophobicContact CD1-CG1 4.06Å; L504-I543 HydrophobicContact CD2-CG1 3.97Å; A539-I543 WeakPolarHBondContact O-CB 3.49Å; A539-I543 WeakPolarHBondContact O-CG1 3.31Å; A539-I543 PolarHBondContact O-N 2.97Å; I543-N545 PolarHBondContact O-N 3.13Å; I543-I546 PolarHBondContact O-N 3.08Å; I543-Y547 HydrophobicContact CG2-CD2 4.01Å; I543-Y547 HydrophobicContact CG2-CE2 4.16Å; I543-Y547 WeakPolarHBondContact O-CD2 3.39Å; I543-Y547 PolarHBondContact O-N 2.66Å; I543-Y547 VanDerWaalsContact O-N 3.15Å; I543-V677 HydrophobicContact CG2-CG1 4.14Å; I543-T680 HydrophobicContact CD1-CG2 4.4Å; I543-T680 HydrophobicContact CG2-CG2 4.35Å; I543-L681 HydrophobicContact CD1-CB 4.18Å; I543-L681 HydrophobicContact CD1-CD1 3.66Å; I543-L681 HydrophobicContact CG2-CB 4.49Å; I543-F684 HydrophobicContact CD1-CB 3.72Å; I543-F684 HydrophobicContact CD1-CD1 4.18Å; I543-F684 HydrophobicContact CD1-CD2 3.98Å; I543-F684 HydrophobicContact CD1-CG 3.7Å
544A96.4Very high92.8Very high0 Ų021.2 Ų21.20%014%0.135CC..Hα-helixtrans-57.5-40.3176.500000111.5S540 Y547 N548 L657 L660 L661S540-A544 WeakPolarHBondContact O-CB 3.44Å; S540-A544 PolarHBondContact O-N 3.12Å; A544-Y547 CarbonylContact O-C 3.57Å; A544-Y547 PolarHBondContact O-N 3.42Å; A544-N548 WeakPolarHBondContact O-CB 3.21Å; A544-N548 VanDerWaalsContact O-CG 3.27Å; A544-N548 PolarHBondContact O-N 2.84Å; A544-N548 PolarHBondContact O-ND2 3.28Å; A544-N548 VanDerWaalsContact O-ND2 3.13Å; A544-L657 HydrophobicContact CB-CD1 4.4Å; A544-L660 HydrophobicContact CB-CB 3.53Å; A544-L660 HydrophobicContact CB-CD1 4.31Å; A544-L661 HydrophobicContact CB-CD2 4.27Å
545N96.1Very high92.5Very high8 Ų823.7 Ų23.74%0.04315%0.147CC..Hα-helixtrans-65.6-42.9179-164.650.4000113.7C541 A542 I543 Y547 N548 L556 Y560 W624 I625 P628C541-N545 WeakPolarHBondContact O-CB 3.35Å; C541-N545 PolarHBondContact O-N 3.2Å; A542-N545 PolarHBondContact O-N 2.95Å; I543-N545 PolarHBondContact O-N 3.13Å; N545-Y547 PolarHBondContact O-N 3.13Å; N545-N548 PolarHBondContact O-N 2.84Å; N545-L556 VanDerWaalsContact OD1-CD2 3.23Å; N545-L556 WeakPolarHBondContact OD1-CD2 3.48Å; N545-Y560 WeakPolarHBondContact CA-OH 3.45Å; N545-Y560 HydrophobicContact CB-CE2 4.5Å; N545-Y560 WeakPolarHBondContact CB-OH 3.46Å; N545-Y560 VanDerWaalsContact OD1-CE2 3.27Å; N545-Y560 WeakPolarHBondContact OD1-CE2 3.49Å; N545-Y560 PolarHBondContact OD1-OH 3.39Å; N545-W624 PolarHBondContact ND2-O 2.96Å; N545-I625 VanDerWaalsContact ND2-CA 3.34Å; N545-I625 WeakPolarHBondContact ND2-CA 3.37Å; N545-I625 PolarHBondContact ND2-O 2.96Å; N545-P628 HydrophobicContact CB-CG 4.08Å
546I94.7Very high92.2Very high36 Ų3624.1 Ų24.119%0.18515%0.149CC..Hα-helixtrans-56.9-41173.9-70.2153.7000110.8F503 L504 A542 I543 N548 I625 L626F503-I546 HydrophobicContact CD2-CD1 4.43Å; F503-I546 HydrophobicContact CE2-CD1 3.64Å; F503-I546 HydrophobicContact CE2-CG1 4.18Å; L504-I546 HydrophobicContact CD1-CD1 4.18Å; L504-I546 HydrophobicContact CD2-CD1 3.49Å; L504-I546 VanDerWaalsContact CD2-CD1 3.49Å; L504-I546 HydrophobicContact CG-CD1 3.97Å; A542-I546 WeakPolarHBondContact O-CD1 3.36Å; A542-I546 WeakPolarHBondContact O-CG1 3.4Å; A542-I546 PolarHBondContact O-N 2.94Å; I543-I546 PolarHBondContact O-N 3.08Å; I546-N548 VanDerWaalsContact C-N 3.33Å; I546-I625 HydrophobicContact CG1-CG2 3.65Å; I546-L626 HydrophobicContact CD1-CD2 4.32Å
547Y93.8Very high91.9Very high37 Ų3724.8 Ų24.815%0.14515%0.154CC..THydrogen-bonded Turntrans-85.3-2.3180-78.5-86.7000113.7I543 A544 N545 D549 R673 K676 V677 T680I543-Y547 HydrophobicContact CG2-CD2 4.01Å; I543-Y547 HydrophobicContact CG2-CE2 4.16Å; I543-Y547 WeakPolarHBondContact O-CD2 3.39Å; I543-Y547 PolarHBondContact O-N 2.66Å; I543-Y547 VanDerWaalsContact O-N 3.15Å; A544-Y547 CarbonylContact O-C 3.57Å; A544-Y547 PolarHBondContact O-N 3.42Å; N545-Y547 PolarHBondContact O-N 3.13Å; Y547-D549 VanDerWaalsContact C-N 3.29Å; Y547-R673 PolarHBondContact O-NE 3.1Å; Y547-R673 PolarHBondContact O-NH2 2.86Å; Y547-K676 HydrophobicContact CE1-CB 4.48Å; Y547-K676 HydrophobicContact CE1-CD 3.73Å; Y547-K676 HydrophobicContact CE1-CG 3.82Å; Y547-K676 WeakPolarHBondContact OH-CE 3.39Å; Y547-V677 VanDerWaalsContact CB-CG2 3.41Å; Y547-V677 HydrophobicContact CD1-CG2 3.56Å; Y547-V677 HydrophobicContact CD2-CB 4.46Å; Y547-V677 HydrophobicContact CD2-CG2 3.66Å; Y547-V677 HydrophobicContact CE1-CG2 4.19Å; Y547-V677 HydrophobicContact CE2-CG2 4.26Å; Y547-V677 HydrophobicContact CG-CB 4.46Å; Y547-V677 HydrophobicContact CG-CG2 3.26Å; Y547-T680 HydrophobicContact CE2-CG2 4.1Å; Y547-T680 PolarHBondContact OH-OG1 2.94Å
548N93.1Very high91.5Very high1 Ų130.4 Ų30.41%0.00518%0.18CC..THydrogen-bonded Turntrans-909.9172.2-80.5-37.8000112.6A544 N545 I546 G550 S551 L556 Y560 L660 L662 R673A544-N548 WeakPolarHBondContact O-CB 3.21Å; A544-N548 VanDerWaalsContact O-CG 3.27Å; A544-N548 PolarHBondContact O-N 2.84Å; A544-N548 PolarHBondContact O-ND2 3.28Å; A544-N548 VanDerWaalsContact O-ND2 3.13Å; N545-N548 PolarHBondContact O-N 2.84Å; I546-N548 VanDerWaalsContact C-N 3.33Å; N548-G550 VanDerWaalsContact C-N 3.26Å; N548-G550 PolarHBondContact O-N 3.07Å; N548-G550 VanDerWaalsContact O-N 3.13Å; N548-S551 WeakPolarHBondContact O-CB 3.28Å; N548-S551 PolarHBondContact O-N 3.21Å; N548-S551 VanDerWaalsContact O-N 3.07Å; N548-S551 PolarHBondContact O-OG 3.08Å; N548-L556 HydrophobicContact CB-CD1 3.67Å; N548-L556 HydrophobicContact CB-CD2 3.97Å; N548-Y560 PolarHBondContact ND2-OH 2.95Å; N548-L660 PolarHBondContact ND2-O 3.27Å; N548-L662 PolarHBondContact OD1-N 3.35Å; N548-R673 PolarHBondContact OD1-NH2 3.38Å
549D76.2Confident91.3Very high136 Ų13632.1 Ų32.173%0.72719%0.187SC*.THydrogen-bonded Turntrans-50.5-32.3-176.862.5-9.7000115.9Y547 S551Y547-D549 VanDerWaalsContact C-N 3.29Å; D549-S551 PolarHBondContact O-N 3.5Å
550G75.7Confident91.1Very high76 Ų7632.3 Ų32.378%0.78419%0.188SC*.THydrogen-bonded Turntrans-70.9-4.4177.900000115.7N548N548-G550 VanDerWaalsContact C-N 3.26Å; N548-G550 PolarHBondContact O-N 3.07Å; N548-G550 VanDerWaalsContact O-N 3.13Å
551S80.8Confident90.8Very high21 Ų2134.8 Ų34.815%0.14720%0.201CC..SBendtrans-99.4153.3-177.3-51.20000111.8N548 D549 I553 L662N548-S551 WeakPolarHBondContact O-CB 3.28Å; N548-S551 PolarHBondContact O-N 3.21Å; N548-S551 VanDerWaalsContact O-N 3.07Å; N548-S551 PolarHBondContact O-OG 3.08Å; D549-S551 PolarHBondContact O-N 3.5Å; S551-I553 PolarHBondContact O-N 3.08Å; S551-L662 WeakPolarHBondContact OG-CD2 3.26Å
552S86.1Confident90.5Very high55 Ų5538.7 Ų38.739%0.38522%0.222SC..  trans-64.4140.2171.479.60000109.9S554 E555 L556S552-S554 PolarHBondContact O-N 2.73Å; S552-E555 PolarHBondContact O-N 3.05Å; S552-E555 VanDerWaalsContact O-N 3.11Å; S552-E555 WeakPolarHBondContact OG-CB 3.31Å; S552-E555 PolarHBondContact OG-N 3.23Å; S552-L556 PolarHBondContact O-N 3.01Å
553I87.6Confident90.2Very high50 Ų5039.8 Ų39.826%0.25623%0.228SC..Hα-helixtrans-59.8-34.4-177.6-57.9157.8000111.1L52 Y55 V56 S551 L556 C557L52-I553 HydrophobicContact CD1-CG2 3.79Å; L52-I553 HydrophobicContact CG-CG2 4.25Å; Y55-I553 HydrophobicContact CD1-CG2 4.45Å; Y55-I553 HydrophobicContact CE1-CD1 3.96Å; V56-I553 HydrophobicContact CG2-CB 4.21Å; V56-I553 HydrophobicContact CG2-CG2 3.26Å; S551-I553 PolarHBondContact O-N 3.08Å; I553-L556 PolarHBondContact O-N 2.63Å; I553-C557 PolarHBondContact O-N 3.1Å
554S86.5Confident89.7Confident17 Ų1740.4 Ų40.412%0.11923%0.232CC..Hα-helixtrans-63.8-46.6176.2-178.20000112.3L201 N203 S552 L556 C557 E558L201-S554 WeakPolarHBondContact CD1-OG 3.46Å; N203-S554 PolarHBondContact ND2-OG 3.15Å; S552-S554 PolarHBondContact O-N 2.73Å; S554-L556 VanDerWaalsContact C-N 3.28Å; S554-L556 PolarHBondContact O-N 3.05Å; S554-C557 WeakPolarHBondContact O-CB 3.36Å; S554-C557 PolarHBondContact O-N 3.15Å; S554-E558 PolarHBondContact O-N 3.27Å; S554-E558 VanDerWaalsContact O-N 3.11Å
555E91Very high89.1Confident58 Ų5845.5 Ų45.527%0.27126%0.263SS..Hα-helixtrans-64-38177.1-177.8178.4-15600110.8S552 E558 F559 L662 K664S552-E555 PolarHBondContact O-N 3.05Å; S552-E555 VanDerWaalsContact O-N 3.11Å; S552-E555 WeakPolarHBondContact OG-CB 3.31Å; S552-E555 PolarHBondContact OG-N 3.23Å; E555-E558 PolarHBondContact O-N 3.34Å; E555-F559 VanDerWaalsContact O-CB 3.29Å; E555-F559 WeakPolarHBondContact O-CB 3.3Å; E555-F559 PolarHBondContact O-N 3.29Å; E555-L662 HydrophobicContact CG-CD2 3.88Å; E555-K664 VanDerWaalsContact CD-CE 3.5Å; E555-K664 WeakPolarHBondContact OE1-CE 3.27Å; E555-K664 IonicContact OE1-NZ 3.37Å; E555-K664 PolarHBondContact OE1-NZ 2.81Å; E555-K664 WeakPolarHBondContact OE2-CE 3.5Å; E555-K664 IonicContact OE2-NZ 2.9Å; E555-K664 PolarHBondContact OE2-NZ 3.15Å
556L92.6Very high88Confident10 Ų1049.5 Ų49.55%0.05228%0.283CS..Hα-helixtrans-65.9-39.6177.2-16757.4000112.5L52 N545 N548 S552 I553 S554 F559 Y560L52-L556 HydrophobicContact CD2-CB 4.27Å; L52-L556 HydrophobicContact CD2-CD2 4.24Å; L52-L556 HydrophobicContact CD2-CG 4Å; N545-L556 VanDerWaalsContact OD1-CD2 3.23Å; N545-L556 WeakPolarHBondContact OD1-CD2 3.48Å; N548-L556 HydrophobicContact CB-CD1 3.67Å; N548-L556 HydrophobicContact CB-CD2 3.97Å; S552-L556 PolarHBondContact O-N 3.01Å; I553-L556 PolarHBondContact O-N 2.63Å; S554-L556 VanDerWaalsContact C-N 3.28Å; S554-L556 PolarHBondContact O-N 3.05Å; L556-F559 HydrophobicContact CD1-CD1 4.13Å; L556-F559 PolarHBondContact O-N 2.91Å; L556-Y560 HydrophobicContact CD1-CE1 3.93Å; L556-Y560 HydrophobicContact CD1-CE2 3.9Å; L556-Y560 HydrophobicContact CD2-CE2 4.22Å; L556-Y560 HydrophobicContact CG-CD2 4.25Å; L556-Y560 HydrophobicContact CG-CE2 3.7Å; L556-Y560 PolarHBondContact O-N 2.84Å
557C91.4Very high86.6Confident14 Ų1452.9 Ų52.910%0.09531%0.307CS..Hα-helixtrans-57.7-49.4170.6-83.10000111.9L52 I553 S554 Y560 N561L52-C557 VanDerWaalsContact CG-SG 3.54Å; I553-C557 PolarHBondContact O-N 3.1Å; S554-C557 WeakPolarHBondContact O-CB 3.36Å; S554-C557 PolarHBondContact O-N 3.15Å; C557-Y560 PolarHBondContact O-N 3.29Å; C557-N561 WeakPolarHBondContact O-CB 3.11Å; C557-N561 VanDerWaalsContact O-CG 3.28Å; C557-N561 PolarHBondContact O-N 3.13Å; C557-N561 PolarHBondContact O-ND2 3.48Å
558E91.5Very high84.7Confident118 Ų11852.5 Ų52.555%0.55131%0.308SS*.Hα-helixtrans-62.2-44.9179-173.8179.6172.300111.1S554 E555 Y560 N561 N562S554-E558 PolarHBondContact O-N 3.27Å; S554-E558 VanDerWaalsContact O-N 3.11Å; E555-E558 PolarHBondContact O-N 3.34Å; E558-Y560 PolarHBondContact O-N 3.4Å; E558-N561 PolarHBondContact O-N 3.41Å; E558-N562 WeakPolarHBondContact O-CB 3.35Å; E558-N562 PolarHBondContact O-N 3.42Å; E558-N562 PolarHBondContact O-ND2 3.38Å
559F94.4Very high82.7Confident37 Ų3757.1 Ų57.116%0.16233%0.329CS..Hα-helixtrans-57-49.5177.2174.8-112.1000112.6E555 L556 N562 L563 K659 L660 L662E555-F559 VanDerWaalsContact O-CB 3.29Å; E555-F559 WeakPolarHBondContact O-CB 3.3Å; E555-F559 PolarHBondContact O-N 3.29Å; L556-F559 HydrophobicContact CD1-CD1 4.13Å; L556-F559 PolarHBondContact O-N 2.91Å; F559-N562 PolarHBondContact O-N 3.11Å; F559-L563 HydrophobicContact CD1-CD1 4.08Å; F559-L563 HydrophobicContact CD2-CD1 4.47Å; F559-L563 HydrophobicContact CD2-CG 4.47Å; F559-L563 HydrophobicContact CE1-CD1 3.54Å; F559-L563 HydrophobicContact CE1-CG 4.49Å; F559-L563 HydrophobicContact CE2-CD1 3.97Å; F559-L563 HydrophobicContact CE2-CD2 4.49Å; F559-L563 HydrophobicContact CE2-CG 4.16Å; F559-L563 HydrophobicContact CZ-CD1 3.5Å; F559-L563 HydrophobicContact CZ-CG 4.2Å; F559-L563 WeakPolarHBondContact O-CG 3.26Å; F559-L563 PolarHBondContact O-N 3.42Å; F559-K659 VanDerWaalsContact CZ-O 3.28Å; F559-K659 WeakPolarHBondContact CZ-O 3.2Å; F559-L660 WeakPolarHBondContact CE1-O 3.48Å; F559-L662 HydrophobicContact CB-CD1 4.45Å; F559-L662 HydrophobicContact CB-CD2 4.49Å; F559-L662 HydrophobicContact CD1-CB 4.1Å; F559-L662 HydrophobicContact CD2-CD1 3.74Å; F559-L662 HydrophobicContact CE1-CB 4Å; F559-L662 HydrophobicContact CE2-CD1 4Å; F559-L662 HydrophobicContact CG-CB 4.4Å; F559-L662 HydrophobicContact CG-CD1 4Å; F559-L662 HydrophobicContact CZ-CB 4.22Å; F559-L662 HydrophobicContact CZ-CD1 4.48Å
560Y94.5Very high81.3Confident3 Ų356.1 Ų56.11%0.01232%0.323CS..Hα-helixtrans-67.9-34.6177.6-67.5-24.5000113.4L52 N545 N548 L556 C557 E558 N562 L563 S564 P628 L632L52-Y560 HydrophobicContact CD2-CD2 3.85Å; L52-Y560 HydrophobicContact CD2-CE2 3.96Å; N545-Y560 WeakPolarHBondContact CA-OH 3.45Å; N545-Y560 HydrophobicContact CB-CE2 4.5Å; N545-Y560 WeakPolarHBondContact CB-OH 3.46Å; N545-Y560 VanDerWaalsContact OD1-CE2 3.27Å; N545-Y560 WeakPolarHBondContact OD1-CE2 3.49Å; N545-Y560 PolarHBondContact OD1-OH 3.39Å; N548-Y560 PolarHBondContact ND2-OH 2.95Å; L556-Y560 HydrophobicContact CD1-CE1 3.93Å; L556-Y560 HydrophobicContact CD1-CE2 3.9Å; L556-Y560 HydrophobicContact CD2-CE2 4.22Å; L556-Y560 HydrophobicContact CG-CD2 4.25Å; L556-Y560 HydrophobicContact CG-CE2 3.7Å; L556-Y560 PolarHBondContact O-N 2.84Å; C557-Y560 PolarHBondContact O-N 3.29Å; E558-Y560 PolarHBondContact O-N 3.4Å; Y560-N562 VanDerWaalsContact C-N 3.35Å; Y560-L563 HydrophobicContact CD1-CD1 4.35Å; Y560-L563 PolarHBondContact O-N 3.28Å; Y560-S564 WeakPolarHBondContact O-CB 3.46Å; Y560-S564 PolarHBondContact O-N 2.92Å; Y560-S564 PolarHBondContact O-OG 3.04Å; Y560-P628 HydrophobicContact CD2-CB 4.16Å; Y560-P628 HydrophobicContact CE2-CB 3.84Å; Y560-P628 HydrophobicContact CE2-CG 4.07Å; Y560-L632 HydrophobicContact CD1-CD2 3.61Å; Y560-L632 HydrophobicContact CD2-CD2 4.36Å; Y560-L632 HydrophobicContact CE1-CD2 4.09Å; Y560-L632 HydrophobicContact CG-CD2 3.78Å
561N90.5Very high79.8Confident53 Ų5355.7 Ų55.728%0.28330%0.303SS..Hα-helixtrans-64.1-40.8172.6-77-38.3000111.5C557 E558 S564 T565C557-N561 WeakPolarHBondContact O-CB 3.11Å; C557-N561 VanDerWaalsContact O-CG 3.28Å; C557-N561 PolarHBondContact O-N 3.13Å; C557-N561 PolarHBondContact O-ND2 3.48Å; E558-N561 PolarHBondContact O-N 3.41Å; N561-S564 WeakPolarHBondContact CA-OG 3.28Å; N561-S564 PolarHBondContact O-N 3.38Å; N561-S564 PolarHBondContact O-OG 3.36Å; N561-T565 WeakPolarHBondContact O-CG2 3.19Å; N561-T565 PolarHBondContact O-N 3.26Å; N561-T565 PolarHBondContact O-OG1 2.59Å
562N91.9Very high77.9Confident82 Ų8263.2 Ų63.244%0.43934%0.339SS..Hα-helixtrans-67.9-41.2176.6-69.6-17.6000111.5E558 F559 Y560 T565 M566E558-N562 WeakPolarHBondContact O-CB 3.35Å; E558-N562 PolarHBondContact O-N 3.42Å; E558-N562 PolarHBondContact O-ND2 3.38Å; F559-N562 PolarHBondContact O-N 3.11Å; Y560-N562 VanDerWaalsContact C-N 3.35Å; N562-T565 PolarHBondContact O-N 3.46Å; N562-T565 PolarHBondContact O-OG1 3.24Å; N562-M566 PolarHBondContact O-N 3.1Å
563L91.3Very high75.6Confident23 Ų2364.3 Ų64.312%0.1235%0.347CS..Hα-helixtrans-63.6-41.5175.9-76.2178.7000112.8F559 Y560 T565 M566 L632 K659 L660F559-L563 HydrophobicContact CD1-CD1 4.08Å; F559-L563 HydrophobicContact CD2-CD1 4.47Å; F559-L563 HydrophobicContact CD2-CG 4.47Å; F559-L563 HydrophobicContact CE1-CD1 3.54Å; F559-L563 HydrophobicContact CE1-CG 4.49Å; F559-L563 HydrophobicContact CE2-CD1 3.97Å; F559-L563 HydrophobicContact CE2-CD2 4.49Å; F559-L563 HydrophobicContact CE2-CG 4.16Å; F559-L563 HydrophobicContact CZ-CD1 3.5Å; F559-L563 HydrophobicContact CZ-CG 4.2Å; F559-L563 WeakPolarHBondContact O-CG 3.26Å; F559-L563 PolarHBondContact O-N 3.42Å; Y560-L563 HydrophobicContact CD1-CD1 4.35Å; Y560-L563 PolarHBondContact O-N 3.28Å; L563-T565 PolarHBondContact O-N 2.87Å; L563-M566 WeakPolarHBondContact O-CB 3.31Å; L563-M566 WeakPolarHBondContact O-CG 3.2Å; L563-M566 PolarHBondContact O-N 2.91Å; L563-L632 HydrophobicContact CB-CD1 4Å; L563-K659 WeakPolarHBondContact CD1-O 3.27Å; L563-L660 HydrophobicContact CD1-CD2 4.36Å
564S88.3Confident73.4Confident14 Ų1466 Ų6610%0.09838%0.377CS..Hα-helixtrans-72.8-8.3179.658.20000114.3Y560 N561Y560-S564 WeakPolarHBondContact O-CB 3.46Å; Y560-S564 PolarHBondContact O-N 2.92Å; Y560-S564 PolarHBondContact O-OG 3.04Å; N561-S564 WeakPolarHBondContact CA-OG 3.28Å; N561-S564 PolarHBondContact O-N 3.38Å; N561-S564 PolarHBondContact O-OG 3.36Å
565T82.5Confident71.1Confident106 Ų10668.4 Ų68.465%0.6539%0.394SS*.THydrogen-bonded Turntrans-107.61.7175.1530000113.3N561 N562 L563N561-T565 WeakPolarHBondContact O-CG2 3.19Å; N561-T565 PolarHBondContact O-N 3.26Å; N561-T565 PolarHBondContact O-OG1 2.59Å; N562-T565 PolarHBondContact O-N 3.46Å; N562-T565 PolarHBondContact O-OG1 3.24Å; L563-T565 PolarHBondContact O-N 2.87Å
566M74.4Confident68.7Low93 Ų9375.8 Ų75.846%0.45843%0.425SS..SBendtrans-56.6137.6172.8-74.1-78.3175.800109.8N562 L563 D568 F635N562-M566 PolarHBondContact O-N 3.1Å; L563-M566 WeakPolarHBondContact O-CB 3.31Å; L563-M566 WeakPolarHBondContact O-CG 3.2Å; L563-M566 PolarHBondContact O-N 2.91Å; M566-D568 PolarHBondContact O-N 3.41Å; M566-F635 HydrophobicContact CB-CZ 4.18Å
567P64Low66.3Low107 Ų10780.2 Ų80.270%0.69545%0.453SS*.PPolyproline II helixtrans-56.5139.8172.61.31.9000109.5Q569P567-Q569 PolarHBondContact O-N 3.43Å; P567-Q569 VanDerWaalsContact O-N 3.08Å
568D54Low64.5Low28 Ų2882.4 Ų82.415%0.1547%0.466CS..PPolyproline II helixtrans-48.7121.3171.6-74.5-25.3000108.3M566 L570 L571 Q639M566-D568 PolarHBondContact O-N 3.41Å; D568-L570 PolarHBondContact O-N 3.25Å; D568-L571 HydrophobicContact CB-CB 3.98Å; D568-L571 HydrophobicContact CB-CD1 3.81Å; D568-L571 HydrophobicContact CB-CG 3.73Å; D568-L571 PolarHBondContact O-N 3.22Å; D568-L571 VanDerWaalsContact O-N 3.1Å; D568-L571 WeakPolarHBondContact OD2-CD1 3.48Å; D568-Q639 PolarHBondContact OD1-NE2 2.91Å
569Q51.7Low63.7Low99 Ų9980 Ų8046%0.46346%0.462SS..THydrogen-bonded Turntrans-62.1-13.3-178.3-77.8165.24000112P567P567-Q569 PolarHBondContact O-N 3.43Å; P567-Q569 VanDerWaalsContact O-N 3.08Å
570L46.5Very low63.4Low115 Ų11579 Ų7960%0.60246%0.457SS*.THydrogen-bonded Turntrans-102.8-10.6-179.2-70.8162.4000114.4D568 I572 S642D568-L570 PolarHBondContact O-N 3.25Å; L570-I572 PolarHBondContact O-N 3.45Å; L570-I572 VanDerWaalsContact O-N 3.13Å; L570-S642 VanDerWaalsContact CD1-OG 3.3Å; L570-S642 WeakPolarHBondContact CD1-OG 3.46Å
571L43.7Very low63.2Low67 Ų6782.6 Ų82.635%0.35147%0.471SS..  trans-87.583178.2-72.7177.9000111.4D568 S573D568-L571 HydrophobicContact CB-CB 3.98Å; D568-L571 HydrophobicContact CB-CD1 3.81Å; D568-L571 HydrophobicContact CB-CG 3.73Å; D568-L571 PolarHBondContact O-N 3.22Å; D568-L571 VanDerWaalsContact O-N 3.1Å; D568-L571 WeakPolarHBondContact OD2-CD1 3.48Å; L571-S573 WeakPolarHBondContact CD2-OG 3.24Å
572I41.9Very low63.3Low178 Ų17880.7 Ų80.791%0.91346%0.462SS*.  trans-74.9-8154.6-65174.7000110.4L570L570-I572 PolarHBondContact O-N 3.45Å; L570-I572 VanDerWaalsContact O-N 3.13Å
573S37.9Very low63.3Low78 Ų7879.2 Ų79.255%0.54545%0.454SS..SBendtrans-95.2122.7172.651.20000111.2L571 S575L571-S573 WeakPolarHBondContact CD2-OG 3.24Å; S573-S575 VanDerWaalsContact C-N 3.25Å; S573-S575 PolarHBondContact O-N 2.98Å
574G40.4Very low63.5Low87 Ų8778.2 Ų78.290%0.89745%0.449SS*.  trans-65.335.7-165.200000119.8K576G574-K576 PolarHBondContact O-N 3.22Å
575S37.6Very low63.9Low67 Ų6777.6 Ų77.647%0.46945%0.445SS..  trans-86.5103.9167.765.80000110.8S573 T577S573-S575 VanDerWaalsContact C-N 3.25Å; S573-S575 PolarHBondContact O-N 2.98Å; S575-T577 PolarHBondContact O-N 3.22Å
576K42.2Very low64.5Low213 Ų21373.3 Ų73.393%0.92642%0.417SS*.  trans-72.321.6-179.2-83.9-172.9175.5-178.40115.8G574G574-K576 PolarHBondContact O-N 3.22Å
577T41.9Very low65.5Low102 Ų10270.2 Ų70.263%0.62641%0.405SS*.SBendtrans-125.5115.1176.753.30000108.1S575 S579S575-T577 PolarHBondContact O-N 3.22Å; T577-S579 PolarHBondContact O-N 3.28Å
578T52.9Low67.2Low60 Ų6065.2 Ų65.237%0.36837%0.372SS..  trans-52113.3156.146.10000105.7Y580T578-Y580 PolarHBondContact O-N 3.41Å
579S75.2Confident69.2Low67 Ų6764 Ų6447%0.46937%0.366SS..  trans-62.2116.8179.9-1780000106.5T577 R581T577-S579 PolarHBondContact O-N 3.28Å; S579-R581 PolarHBondContact O-N 2.94Å
580Y87.6Confident71.4Confident18 Ų1859.3 Ų59.37%0.07134%0.344CS..  trans-52.9128.1172.9177.3-91.5000109.1L46 Y47 L105 P110 V408 T578 A582 V585L46-Y580 HydrophobicContact CD1-CE2 3.75Å; L46-Y580 HydrophobicContact CG-CE2 3.85Å; L46-Y580 PolarHBondContact O-OH 3.2Å; Y47-Y580 HydrophobicContact CD1-CD2 4.32Å; Y47-Y580 AromaticContact CD1-CE2 4Å; Y47-Y580 HydrophobicContact CD1-CE2 4Å; Y47-Y580 AromaticContact CE1-CD2 3.57Å; Y47-Y580 HydrophobicContact CE1-CD2 3.57Å; Y47-Y580 AromaticContact CE1-CE2 3.7Å; Y47-Y580 HydrophobicContact CE1-CE2 3.7Å; Y47-Y580 AromaticContact CZ-CD2 3.79Å; L105-Y580 HydrophobicContact CD2-CD1 4.21Å; L105-Y580 HydrophobicContact CD2-CE1 3.49Å; L105-Y580 VanDerWaalsContact CD2-CE1 3.49Å; P110-Y580 HydrophobicContact CB-CD1 4.3Å; P110-Y580 HydrophobicContact CB-CD2 4.19Å; P110-Y580 HydrophobicContact CB-CG 4.02Å; P110-Y580 HydrophobicContact CG-CG 4.38Å; V408-Y580 VanDerWaalsContact CG1-OH 3.23Å; V408-Y580 WeakPolarHBondContact CG1-OH 3.48Å; T578-Y580 PolarHBondContact O-N 3.41Å; Y580-A582 HydrophobicContact CE1-CB 4.14Å; Y580-V585 HydrophobicContact CE2-CG2 4.09Å
581R91.2Very high73.9Confident78 Ų7853.8 Ų53.829%0.29432%0.315SS..  trans-116.4102.2-175.3-74.3-76.2-63.8-89.8-5109.2S579 D583 V584 V585 H634 D641S579-R581 PolarHBondContact O-N 2.94Å; R581-D583 VanDerWaalsContact C-N 3.29Å; R581-D583 WeakPolarHBondContact CB-OD1 3.4Å; R581-D583 IonicContact CZ-OD1 2.69Å; R581-D583 IonicContact CZ-OD2 3.53Å; R581-D583 IonicContact NE-OD1 3.24Å; R581-D583 PolarHBondContact NE-OD1 2.77Å; R581-D583 IonicContact NE-OD2 3.6Å; R581-D583 PolarHBondContact NE-OD2 3.12Å; R581-D583 IonicContact NH2-OD1 3.77Å; R581-D583 IonicContact NH2-OD2 2.91Å; R581-D583 PolarHBondContact NH2-OD2 3.2Å; R581-D583 PolarHBondContact O-N 3.3Å; R581-V584 HydrophobicContact CB-CB 4.18Å; R581-V584 HydrophobicContact CB-CG2 3.92Å; R581-V584 PolarHBondContact O-N 3.42Å; R581-V585 PolarHBondContact O-N 3.11Å; R581-H634 PolarHBondContact N-NE2 3.28Å; R581-H634 VanDerWaalsContact N-NE2 3.14Å; R581-D641 IonicContact CZ-OD2 2.67Å; R581-D641 IonicContact NH1-OD2 3.65Å; R581-D641 PolarHBondContact NH1-OD2 2.86Å; R581-D641 IonicContact NH2-OD2 3.43Å; R581-D641 PolarHBondContact NH2-OD2 2.99Å
582A92Very high76.5Confident13 Ų1350.6 Ų50.611%0.10730%0.299CS..Hα-helixtrans-66.2-30.9-176.500000112.8L105 D410 Y580 V585 H586L105-A582 HydrophobicContact CD1-CB 4.36Å; L105-A582 HydrophobicContact CD2-CB 4.26Å; D410-A582 HydrophobicContact CB-CB 4.29Å; Y580-A582 HydrophobicContact CE1-CB 4.14Å; A582-V585 PolarHBondContact O-N 3.21Å; A582-H586 VanDerWaalsContact O-CB 3.25Å; A582-H586 WeakPolarHBondContact O-CB 3.33Å; A582-H586 PolarHBondContact O-N 3.05Å
583D93Very high79.1Confident50 Ų5042.4 Ų42.427%0.26726%0.257SS..Hα-helixtrans-63.7-39.1176.857.4-62.5000112.9D410 R581 S587D410-D583 HydrophobicContact CB-CB 4.4Å; R581-D583 VanDerWaalsContact C-N 3.29Å; R581-D583 WeakPolarHBondContact CB-OD1 3.4Å; R581-D583 IonicContact CZ-OD1 2.69Å; R581-D583 IonicContact CZ-OD2 3.53Å; R581-D583 IonicContact NE-OD1 3.24Å; R581-D583 PolarHBondContact NE-OD1 2.77Å; R581-D583 IonicContact NE-OD2 3.6Å; R581-D583 PolarHBondContact NE-OD2 3.12Å; R581-D583 IonicContact NH2-OD1 3.77Å; R581-D583 IonicContact NH2-OD2 2.91Å; R581-D583 PolarHBondContact NH2-OD2 3.2Å; R581-D583 PolarHBondContact O-N 3.3Å; D583-S587 WeakPolarHBondContact O-CB 3.39Å; D583-S587 PolarHBondContact O-N 2.74Å; D583-S587 PolarHBondContact O-OG 3.01Å
584V95.2Very high82Confident2 Ų238.7 Ų38.71%0.01223%0.231CC..Hα-helixtrans-67.2-46.2174.5171.90000110.6V534 R581 H586 S587 F588 H634 A637V534-V584 HydrophobicContact CG2-CG1 4.27Å; R581-V584 HydrophobicContact CB-CB 4.18Å; R581-V584 HydrophobicContact CB-CG2 3.92Å; R581-V584 PolarHBondContact O-N 3.42Å; V584-H586 VanDerWaalsContact C-N 3.34Å; V584-H586 PolarHBondContact O-N 3.42Å; V584-S587 PolarHBondContact O-N 2.93Å; V584-F588 WeakPolarHBondContact O-CB 3.48Å; V584-F588 PolarHBondContact O-N 3.41Å; V584-H634 HydrophobicContact CG1-CB 4.29Å; V584-A637 HydrophobicContact CG1-CB 3.6Å; V584-A637 HydrophobicContact CG2-CB 4.45Å
585V95.5Very high84.8Confident2 Ų234.5 Ų34.51%0.01219%0.188CC..Hα-helixtrans-64.9-39.5177.91770000111.4Y47 V408 Y580 R581 A582 F588 N589Y47-V585 HydrophobicContact CD1-CG2 4.31Å; V408-V585 HydrophobicContact CB-CG1 4.05Å; V408-V585 HydrophobicContact CG1-CG1 4.08Å; Y580-V585 HydrophobicContact CE2-CG2 4.09Å; R581-V585 PolarHBondContact O-N 3.11Å; A582-V585 PolarHBondContact O-N 3.21Å; V585-F588 PolarHBondContact O-N 3.35Å; V585-N589 WeakPolarHBondContact O-CB 3.14Å; V585-N589 PolarHBondContact O-N 3.46Å; V585-N589 PolarHBondContact O-ND2 3.02Å
586H95.3Very high87.6Confident15 Ų1532.4 Ų32.47%0.06917%0.171CC..Hα-helixtrans-57.5-52.1174.1178.798.6000111E409 D410 L415 V417 A582 V584 F588 N589 A590E409-H586 IonicContact OE2-CE1 2.72Å; D410-H586 HydrophobicContact CB-CB 3.86Å; D410-H586 PolarHBondContact N-ND1 3.43Å; L415-H586 PolarHBondContact O-CE1 2.77Å; V417-H586 HydrophobicContact CG1-CB 4.49Å; V417-H586 WeakPolarHBondContact CG1-ND1 3.32Å; V417-H586 WeakPolarHBondContact CG1-O 3.31Å; V417-H586 PolarHBondContact N-CE1 3.4Å; A582-H586 VanDerWaalsContact O-CB 3.25Å; A582-H586 WeakPolarHBondContact O-CB 3.33Å; A582-H586 PolarHBondContact O-N 3.05Å; V584-H586 VanDerWaalsContact C-N 3.34Å; V584-H586 PolarHBondContact O-N 3.42Å; H586-F588 VanDerWaalsContact C-N 3.31Å; H586-F588 PolarHBondContact O-N 3.02Å; H586-N589 PolarHBondContact O-N 2.91Å; H586-A590 WeakPolarHBondContact O-CB 3.34Å; H586-A590 PolarHBondContact O-N 3.45Å
587S96.6Very high90.2Very high28 Ų2823 Ų2320%0.19613%0.132CC..Hα-helixtrans-59.3-41.9178.5-66.40000112.1D583 V584 A590 I591D583-S587 WeakPolarHBondContact O-CB 3.39Å; D583-S587 PolarHBondContact O-N 2.74Å; D583-S587 PolarHBondContact O-OG 3.01Å; V584-S587 PolarHBondContact O-N 2.93Å; S587-A590 WeakPolarHBondContact O-CB 3.17Å; S587-A590 PolarHBondContact O-N 3.02Å; S587-I591 WeakPolarHBondContact O-CG1 3.34Å; S587-I591 PolarHBondContact O-N 2.85Å
588F98Very high92.9Very high2 Ų218.3 Ų18.31%0.00910%0.103CC..Hα-helixtrans-65.4-41.7176.3178.5-128.5000112.9Y47 V534 V538 V584 V585 H586 A590 I591 Q592 F627 V633Y47-F588 WeakPolarHBondContact O-CD1 3.27Å; Y47-F588 WeakPolarHBondContact O-CE1 3.41Å; V534-F588 HydrophobicContact CG1-CB 4.45Å; V538-F588 HydrophobicContact CG2-CD2 3.7Å; V538-F588 HydrophobicContact CG2-CE2 4Å; V584-F588 WeakPolarHBondContact O-CB 3.48Å; V584-F588 PolarHBondContact O-N 3.41Å; V585-F588 PolarHBondContact O-N 3.35Å; H586-F588 VanDerWaalsContact C-N 3.31Å; H586-F588 PolarHBondContact O-N 3.02Å; F588-A590 VanDerWaalsContact C-N 3.32Å; F588-A590 PolarHBondContact O-N 3.48Å; F588-I591 PolarHBondContact O-N 2.65Å; F588-Q592 HydrophobicContact CE2-CG 4.21Å; F588-Q592 HydrophobicContact CZ-CG 4.35Å; F588-Q592 PolarHBondContact O-N 3.12Å; F588-F627 HydrophobicContact CE2-CB 4.19Å; F588-F627 AromaticContact CE2-CD1 3.81Å; F588-F627 HydrophobicContact CE2-CD1 3.81Å; F588-F627 HydrophobicContact CE2-CG 4.29Å; F588-F627 HydrophobicContact CZ-CB 3.98Å; F588-F627 HydrophobicContact CZ-CD1 4.46Å; F588-V633 HydrophobicContact CB-CG1 4.43Å; F588-V633 HydrophobicContact CD2-CB 4.49Å; F588-V633 HydrophobicContact CD2-CG1 3.85Å; F588-V633 HydrophobicContact CE2-CB 4.43Å; F588-V633 HydrophobicContact CE2-CG1 4.21Å; F588-V633 HydrophobicContact CE2-CG2 4.1Å; F588-V633 HydrophobicContact CG-CG1 4.08Å; F588-V633 HydrophobicContact CZ-CG2 4.3Å
589N97.9Very high95Very high2 Ų216.2 Ų16.21%0.0119%0.09CC..Hα-helixtrans-64.9-35.8173.7-79.2-30.5000112G48 L119 V407 V408 V417 V585 H586 Q592 S593G48-N589 WeakPolarHBondContact CA-OD1 3.35Å; L119-N589 HydrophobicContact CD1-CB 4.24Å; L119-N589 WeakPolarHBondContact CD1-O 3.46Å; V407-N589 HydrophobicContact CG2-CB 4.42Å; V408-N589 PolarHBondContact O-ND2 3.01Å; V417-N589 HydrophobicContact CB-CB 4.4Å; V417-N589 HydrophobicContact CG1-CB 3.94Å; V585-N589 WeakPolarHBondContact O-CB 3.14Å; V585-N589 PolarHBondContact O-N 3.46Å; V585-N589 PolarHBondContact O-ND2 3.02Å; H586-N589 PolarHBondContact O-N 2.91Å; N589-Q592 PolarHBondContact O-N 3.1Å; N589-S593 PolarHBondContact O-N 3.44Å
590A97.3Very high96Very high1 Ų114 Ų141%0.0087%0.073CC..Hα-helixtrans-63.4-43.7174.200000111.6V417 T420 H586 S587 F588 Q592 S593 T594V417-A590 HydrophobicContact CB-CB 4.06Å; V417-A590 HydrophobicContact CG1-CB 4.48Å; T420-A590 HydrophobicContact CG2-CB 4.44Å; H586-A590 WeakPolarHBondContact O-CB 3.34Å; H586-A590 PolarHBondContact O-N 3.45Å; S587-A590 WeakPolarHBondContact O-CB 3.17Å; S587-A590 PolarHBondContact O-N 3.02Å; F588-A590 VanDerWaalsContact C-N 3.32Å; F588-A590 PolarHBondContact O-N 3.48Å; A590-Q592 PolarHBondContact O-N 2.96Å; A590-S593 PolarHBondContact O-N 2.98Å; A590-T594 PolarHBondContact O-N 3.26Å; A590-T594 PolarHBondContact O-OG1 3.05Å; A590-T594 VanDerWaalsContact O-OG1 3.05Å
591I98.5Very high96.4Very high0 Ų013.2 Ų13.20%07%0.069CC..Hα-helixtrans-58.2-49.2172.7-69166.2000110.9L511 W514 V534 V538 S587 F588 S593 T594 F595 F627L511-I591 HydrophobicContact CD2-CB 4.49Å; L511-I591 HydrophobicContact CD2-CD1 3.79Å; L511-I591 HydrophobicContact CD2-CG1 4.03Å; L511-I591 HydrophobicContact CD2-CG2 3.63Å; W514-I591 HydrophobicContact CB-CG1 4.42Å; W514-I591 HydrophobicContact CD2-CD1 3.97Å; W514-I591 HydrophobicContact CD2-CG1 3.34Å; W514-I591 HydrophobicContact CE3-CD1 3.86Å; W514-I591 HydrophobicContact CE3-CG1 3.69Å; W514-I591 HydrophobicContact CG-CG1 3.66Å; W514-I591 HydrophobicContact CH2-CD1 3.9Å; W514-I591 HydrophobicContact CH2-CG1 4.32Å; W514-I591 HydrophobicContact CZ2-CD1 3.99Å; W514-I591 HydrophobicContact CZ2-CG1 4.02Å; W514-I591 HydrophobicContact CZ3-CD1 3.83Å; W514-I591 HydrophobicContact CZ3-CG1 4.16Å; V534-I591 HydrophobicContact CG1-CD1 3.91Å; V538-I591 HydrophobicContact CG1-CG2 4.45Å; V538-I591 HydrophobicContact CG2-CD1 3.91Å; S587-I591 WeakPolarHBondContact O-CG1 3.34Å; S587-I591 PolarHBondContact O-N 2.85Å; F588-I591 PolarHBondContact O-N 2.65Å; I591-S593 VanDerWaalsContact C-N 3.28Å; I591-S593 PolarHBondContact O-N 3.47Å; I591-T594 PolarHBondContact O-N 3.1Å; I591-F595 WeakPolarHBondContact O-CB 3.48Å; I591-F595 PolarHBondContact O-N 2.92Å; I591-F627 HydrophobicContact CG2-CE1 3.94Å; I591-F627 HydrophobicContact CG2-CZ 4.28Å
592Q98.2Very high96.8Very high0 Ų09.6 Ų9.60%06%0.056CC..Hα-helixtrans-62.5-35.7178.1-72.8-172.476.500112.1G48 L119 S120 F588 N589 A590 N596 F627G48-Q592 PolarHBondContact O-NE2 3.42Å; L119-Q592 HydrophobicContact CB-CB 4.35Å; L119-Q592 HydrophobicContact CD1-CB 4.11Å; S120-Q592 PolarHBondContact OG-OE1 2.84Å; F588-Q592 HydrophobicContact CE2-CG 4.21Å; F588-Q592 HydrophobicContact CZ-CG 4.35Å; F588-Q592 PolarHBondContact O-N 3.12Å; N589-Q592 PolarHBondContact O-N 3.1Å; A590-Q592 PolarHBondContact O-N 2.96Å; Q592-N596 VanDerWaalsContact O-CB 3.27Å; Q592-N596 WeakPolarHBondContact O-CB 3.43Å; Q592-N596 PolarHBondContact O-N 3.41Å; Q592-N596 PolarHBondContact O-ND2 3.18Å; Q592-F627 HydrophobicContact CG-CD1 4.44Å; Q592-F627 HydrophobicContact CG-CD2 4.16Å; Q592-F627 HydrophobicContact CG-CE2 4.34Å; Q592-F627 HydrophobicContact CG-CG 4.21Å
593S97.6Very high97Very high5 Ų510.2 Ų10.24%0.0356%0.058CC..Hα-helixtrans-64.8-46.3173.8-178.70000111.4Y418 S421 N589 A590 I591 N596 S597Y418-S593 WeakPolarHBondContact CD1-OG 3.45Å; S421-S593 PolarHBondContact OG-OG 3.09Å; N589-S593 PolarHBondContact O-N 3.44Å; A590-S593 PolarHBondContact O-N 2.98Å; I591-S593 VanDerWaalsContact C-N 3.28Å; I591-S593 PolarHBondContact O-N 3.47Å; S593-N596 PolarHBondContact O-N 3.01Å; S593-S597 PolarHBondContact O-N 3.06Å; S593-S597 PolarHBondContact O-OG 3.47Å
594T98Very high97.2Very high0 Ų07.8 Ų7.80%05%0.046CC..Hα-helixtrans-60.8-46177.4-57.10000111T420 I424 V510 F513 W514 A590 I591 N596 S597 L598T420-T594 PolarHBondContact OG1-OG1 2.92Å; I424-T594 HydrophobicContact CD1-CG2 3.78Å; V510-T594 HydrophobicContact CG1-CG2 4.04Å; F513-T594 HydrophobicContact CD1-CG2 3.8Å; W514-T594 HydrophobicContact CB-CG2 4.32Å; A590-T594 PolarHBondContact O-N 3.26Å; A590-T594 PolarHBondContact O-OG1 3.05Å; A590-T594 VanDerWaalsContact O-OG1 3.05Å; I591-T594 PolarHBondContact O-N 3.1Å; T594-N596 VanDerWaalsContact C-N 3.35Å; T594-N596 PolarHBondContact O-N 2.71Å; T594-S597 PolarHBondContact O-N 3.17Å; T594-L598 WeakPolarHBondContact O-CB 3.42Å; T594-L598 PolarHBondContact O-N 2.87Å
595F98.3Very high97.3Very high0 Ų07.7 Ų7.70%05%0.045CC..Hα-helixtrans-55.1-51.5174-178.4-92.3000111.2L507 V510 I591 S597 L598 E599 F620 P623 L626 F627L507-F595 HydrophobicContact CD1-CD2 4.4Å; V510-F595 HydrophobicContact CG1-CB 3.88Å; V510-F595 HydrophobicContact CG1-CD2 4.47Å; V510-F595 HydrophobicContact CG2-CB 4.4Å; V510-F595 HydrophobicContact CG2-CD2 4.1Å; I591-F595 WeakPolarHBondContact O-CB 3.48Å; I591-F595 PolarHBondContact O-N 2.92Å; F595-S597 VanDerWaalsContact C-N 3.34Å; F595-S597 PolarHBondContact O-N 3.49Å; F595-L598 PolarHBondContact O-N 3.01Å; F595-E599 VanDerWaalsContact CE1-OE2 3.28Å; F595-E599 WeakPolarHBondContact CE1-OE2 3.3Å; F595-E599 PolarHBondContact O-N 3.31Å; F595-F620 HydrophobicContact CD2-CD1 4.47Å; F595-F620 AromaticContact CE2-CD1 3.7Å; F595-F620 HydrophobicContact CE2-CD1 3.7Å; F595-F620 HydrophobicContact CE2-CE1 4.31Å; F595-F620 HydrophobicContact CZ-CB 4.32Å; F595-F620 AromaticContact CZ-CD1 3.75Å; F595-F620 HydrophobicContact CZ-CD1 3.75Å; F595-P623 HydrophobicContact CE1-CG 4.3Å; F595-L626 HydrophobicContact CD2-CD1 4.37Å; F595-L626 HydrophobicContact CE2-CD1 3.43Å; F595-L626 VanDerWaalsContact CE2-CD1 3.43Å; F595-L626 HydrophobicContact CZ-CD1 3.73Å; F595-F627 HydrophobicContact CB-CE2 4.1Å; F595-F627 HydrophobicContact CB-CZ 3.97Å; F595-F627 AromaticContact CD1-CE2 3.84Å; F595-F627 HydrophobicContact CD1-CE2 3.84Å; F595-F627 HydrophobicContact CD1-CZ 4.46Å; F595-F627 HydrophobicContact CD2-CE2 4.03Å; F595-F627 AromaticContact CD2-CZ 3.94Å; F595-F627 HydrophobicContact CD2-CZ 3.94Å; F595-F627 HydrophobicContact CE1-CE2 4.28Å; F595-F627 HydrophobicContact CE2-CE2 4.45Å; F595-F627 AromaticContact CG-CE2 3.7Å; F595-F627 HydrophobicContact CG-CE2 3.7Å; F595-F627 AromaticContact CG-CZ 3.86Å; F595-F627 HydrophobicContact CG-CZ 3.86Å
596N96.9Very high97.4Very high22 Ų228.8 Ų8.812%0.1185%0.051CC..Hα-helixtrans-64.5-39.5-175.2-77.4-37000112.9K123 Q592 S593 T594 D600K123-N596 VanDerWaalsContact CD-OD1 3.29Å; K123-N596 WeakPolarHBondContact CD-OD1 3.3Å; K123-N596 WeakPolarHBondContact CE-OD1 3.32Å; K123-N596 PolarHBondContact NZ-O 2.91Å; K123-N596 PolarHBondContact NZ-OD1 3.42Å; Q592-N596 VanDerWaalsContact O-CB 3.27Å; Q592-N596 WeakPolarHBondContact O-CB 3.43Å; Q592-N596 PolarHBondContact O-N 3.41Å; Q592-N596 PolarHBondContact O-ND2 3.18Å; S593-N596 PolarHBondContact O-N 3.01Å; T594-N596 VanDerWaalsContact C-N 3.35Å; T594-N596 PolarHBondContact O-N 2.71Å; N596-D600 VanDerWaalsContact O-CB 3.27Å; N596-D600 WeakPolarHBondContact O-CB 3.32Å; N596-D600 PolarHBondContact O-N 3.36Å
597S97.4Very high97.5Very high15 Ų158.5 Ų8.511%0.1055%0.05CC..Hα-helixtrans-68.1-41.9176.5-64.70000112.1I424 S593 T594 F595 D600 V601I424-S597 VanDerWaalsContact CG2-C 3.49Å; I424-S597 WeakPolarHBondContact CG2-O 3.47Å; S593-S597 PolarHBondContact O-N 3.06Å; S593-S597 PolarHBondContact O-OG 3.47Å; T594-S597 PolarHBondContact O-N 3.17Å; F595-S597 VanDerWaalsContact C-N 3.34Å; F595-S597 PolarHBondContact O-N 3.49Å; S597-D600 PolarHBondContact O-N 2.87Å; S597-V601 WeakPolarHBondContact O-CG2 3.49Å; S597-V601 PolarHBondContact O-N 3.15Å
598L97.6Very high97.6Very high4 Ų48.1 Ų8.12%0.0215%0.046CC..Hα-helixtrans-66.4-46.1-179-172.865.1000111.6I424 L489 V509 V510 T594 F595 D600 V601 I602 F620I424-L598 HydrophobicContact CD1-CB 4.27Å; L489-L598 HydrophobicContact CD1-CD1 4.17Å; V509-L598 HydrophobicContact CG1-CD2 4.19Å; V510-L598 HydrophobicContact CG2-CB 4.28Å; V510-L598 HydrophobicContact CG2-CD2 3.58Å; T594-L598 WeakPolarHBondContact O-CB 3.42Å; T594-L598 PolarHBondContact O-N 2.87Å; F595-L598 PolarHBondContact O-N 3.01Å; L598-D600 VanDerWaalsContact C-N 3.29Å; L598-D600 PolarHBondContact O-N 3.05Å; L598-V601 PolarHBondContact O-N 3.27Å; L598-I602 HydrophobicContact CD1-CD1 4Å; L598-I602 HydrophobicContact CD1-CG1 4.38Å; L598-I602 HydrophobicContact CG-CD1 3.95Å; L598-I602 WeakPolarHBondContact O-CB 3.45Å; L598-I602 WeakPolarHBondContact O-CG1 3.39Å; L598-I602 PolarHBondContact O-N 3.28Å; L598-F620 HydrophobicContact CD2-CE1 4.46Å; L598-F620 HydrophobicContact CD2-CZ 4.3Å; L598-F620 HydrophobicContact CG-CZ 4.13Å
599E97.4Very high97.6Very high17 Ų178.4 Ų8.48%0.0795%0.048CC..Hα-helixtrans-58.8-42.5176.9-179.4-178.1-177.500111.6K123 Y127 F595 I602 T603 F620K123-E599 WeakPolarHBondContact CE-OE2 3.06Å; K123-E599 IonicContact NZ-OE2 2.62Å; K123-E599 PolarHBondContact NZ-OE2 2.88Å; Y127-E599 PolarHBondContact OH-OE1 3.42Å; F595-E599 VanDerWaalsContact CE1-OE2 3.28Å; F595-E599 WeakPolarHBondContact CE1-OE2 3.3Å; F595-E599 PolarHBondContact O-N 3.31Å; E599-I602 PolarHBondContact O-N 2.97Å; E599-T603 WeakPolarHBondContact O-CB 3.4Å; E599-T603 PolarHBondContact O-N 3Å; E599-T603 PolarHBondContact O-OG1 3.3Å; E599-F620 HydrophobicContact CB-CD1 3.75Å; E599-F620 HydrophobicContact CB-CD2 4.08Å; E599-F620 HydrophobicContact CB-CE1 3.84Å; E599-F620 HydrophobicContact CB-CE2 4.17Å; E599-F620 HydrophobicContact CB-CG 3.87Å; E599-F620 HydrophobicContact CB-CZ 4.06Å; E599-F620 HydrophobicContact CG-CB 3.94Å; E599-F620 HydrophobicContact CG-CD1 4.02Å; E599-F620 HydrophobicContact CG-CD2 3.76Å; E599-F620 HydrophobicContact CG-CE2 4.28Å; E599-F620 HydrophobicContact CG-CG 3.62Å
600D96.2Very high97.5Very high21 Ų2110.5 Ų10.511%0.1126%0.062CC..Hα-helixtrans-68.1-42.3-177.5-170.425.9000111.7F391 K393 N596 S597 L598 T604F391-D600 PolarHBondContact N-OD1 3.42Å; K393-D600 IonicContact NZ-OD1 2.74Å; K393-D600 PolarHBondContact NZ-OD1 3.32Å; K393-D600 IonicContact NZ-OD2 3.16Å; K393-D600 PolarHBondContact NZ-OD2 3.26Å; N596-D600 VanDerWaalsContact O-CB 3.27Å; N596-D600 WeakPolarHBondContact O-CB 3.32Å; N596-D600 PolarHBondContact O-N 3.36Å; S597-D600 PolarHBondContact O-N 2.87Å; L598-D600 VanDerWaalsContact C-N 3.29Å; L598-D600 PolarHBondContact O-N 3.05Å; D600-T604 VanDerWaalsContact O-CB 3.3Å; D600-T604 WeakPolarHBondContact O-CB 3.43Å; D600-T604 PolarHBondContact O-N 2.92Å; D600-T604 PolarHBondContact O-OG1 3.42Å
601V97.3Very high97.4Very high0 Ų017.8 Ų17.80%010%0.096CC..Hα-helixtrans-61.9-48.5174.2170.30000111.4I424 L427 D428 I431 I485 S597 L598 T604 L605I424-V601 HydrophobicContact CG2-CB 4.38Å; I424-V601 HydrophobicContact CG2-CG2 3.76Å; L427-V601 HydrophobicContact CD2-CG1 4.33Å; L427-V601 HydrophobicContact CG-CG1 4.43Å; D428-V601 HydrophobicContact CB-CG2 3.46Å; D428-V601 VanDerWaalsContact CB-CG2 3.46Å; I431-V601 HydrophobicContact CD1-CG1 3.71Å; I485-V601 HydrophobicContact CD1-CG1 3.75Å; S597-V601 WeakPolarHBondContact O-CG2 3.49Å; S597-V601 PolarHBondContact O-N 3.15Å; L598-V601 PolarHBondContact O-N 3.27Å; V601-T604 WeakPolarHBondContact O-CB 3.45Å; V601-T604 PolarHBondContact O-N 3.06Å; V601-L605 HydrophobicContact CG1-CD1 4.04Å; V601-L605 WeakPolarHBondContact O-CG 3.45Å; V601-L605 PolarHBondContact O-N 2.96Å
602I97.8Very high97.3Very high2 Ų224 Ų241%0.0113%0.129CC..Hα-helixtrans-66.6-41.8-178.7-69.2-177.9000111.1T481 I485 L598 E599 T604 L605 N606 F618 F620T481-I602 HydrophobicContact CG2-CG2 4.12Å; I485-I602 HydrophobicContact CD1-CD1 4.47Å; I485-I602 HydrophobicContact CD1-CG1 3.86Å; I485-I602 HydrophobicContact CG1-CD1 4.24Å; I485-I602 HydrophobicContact CG1-CG1 3.93Å; L598-I602 HydrophobicContact CD1-CD1 4Å; L598-I602 HydrophobicContact CD1-CG1 4.38Å; L598-I602 HydrophobicContact CG-CD1 3.95Å; L598-I602 WeakPolarHBondContact O-CB 3.45Å; L598-I602 WeakPolarHBondContact O-CG1 3.39Å; L598-I602 PolarHBondContact O-N 3.28Å; E599-I602 PolarHBondContact O-N 2.97Å; I602-T604 VanDerWaalsContact C-N 3.28Å; I602-T604 PolarHBondContact O-N 2.74Å; I602-L605 PolarHBondContact O-N 3Å; I602-N606 WeakPolarHBondContact O-CB 3.28Å; I602-N606 PolarHBondContact O-N 3.4Å; I602-F618 HydrophobicContact CD1-CB 3.56Å; I602-F618 HydrophobicContact CD1-CD1 3.85Å; I602-F618 HydrophobicContact CD1-CD2 3.48Å; I602-F618 VanDerWaalsContact CD1-CD2 3.48Å; I602-F618 HydrophobicContact CD1-CE1 4.4Å; I602-F618 HydrophobicContact CD1-CE2 4.1Å; I602-F618 HydrophobicContact CD1-CG 3.35Å; I602-F618 HydrophobicContact CG2-CB 4.09Å; I602-F620 HydrophobicContact CB-CE2 4.11Å; I602-F620 HydrophobicContact CD1-CE2 4.04Å; I602-F620 HydrophobicContact CD1-CZ 3.91Å; I602-F620 HydrophobicContact CG2-CE2 4.08Å
603T97.1Very high97.2Very high26 Ų2627.1 Ų27.116%0.1614%0.142CC..Hα-helixtrans-58.9-43174.2-58.90000111.1T389 V390 E599 C607T389-T603 HydrophobicContact CG2-CG2 3.86Å; V390-T603 HydrophobicContact CG2-CG2 3.96Å; E599-T603 WeakPolarHBondContact O-CB 3.4Å; E599-T603 PolarHBondContact O-N 3Å; E599-T603 PolarHBondContact O-OG1 3.3Å; T603-C607 PolarHBondContact O-N 2.67Å; T603-C607 PolarHBondContact O-SG 3.26Å
604T97.3Very high97.2Very high0 Ų029 Ų290%015%0.15CC..Hα-helixtrans-64.4-49177.8-60.30000111.1L381 I431 Y432 D600 V601 I602 N606 C607 L608L381-T604 HydrophobicContact CD1-CG2 4.31Å; I431-T604 HydrophobicContact CG2-CG2 4.49Å; Y432-T604 HydrophobicContact CD2-CG2 4.5Å; Y432-T604 HydrophobicContact CE2-CG2 3.63Å; D600-T604 VanDerWaalsContact O-CB 3.3Å; D600-T604 WeakPolarHBondContact O-CB 3.43Å; D600-T604 PolarHBondContact O-N 2.92Å; D600-T604 PolarHBondContact O-OG1 3.42Å; V601-T604 WeakPolarHBondContact O-CB 3.45Å; V601-T604 PolarHBondContact O-N 3.06Å; I602-T604 VanDerWaalsContact C-N 3.28Å; I602-T604 PolarHBondContact O-N 2.74Å; T604-N606 PolarHBondContact O-N 3.26Å; T604-C607 WeakPolarHBondContact O-CA 3.42Å; T604-C607 WeakPolarHBondContact O-CB 3.37Å; T604-C607 PolarHBondContact O-N 3.34Å; T604-L608 HydrophobicContact CG2-CD1 4.26Å; T604-L608 WeakPolarHBondContact O-CG 3.46Å; T604-L608 PolarHBondContact O-N 2.91Å
605L97.8Very high97Very high0 Ų029.7 Ų29.70%016%0.156CC..Hα-helixtrans-58.9-46176.8-77.3171.2000112.1I431 T481 V484 I485 V601 I602 C607 L608 V609I431-L605 HydrophobicContact CD1-CD1 3.92Å; I431-L605 HydrophobicContact CD1-CD2 3.72Å; I431-L605 HydrophobicContact CD1-CG 3.74Å; I431-L605 HydrophobicContact CG1-CD2 3.98Å; I431-L605 HydrophobicContact CG2-CD2 4.06Å; T481-L605 HydrophobicContact CG2-CB 3.79Å; T481-L605 HydrophobicContact CG2-CD1 4.07Å; V484-L605 HydrophobicContact CB-CD1 4.16Å; V484-L605 HydrophobicContact CG1-CD1 3.85Å; V484-L605 HydrophobicContact CG1-CD2 4.1Å; I485-L605 HydrophobicContact CD1-CD1 3.88Å; I485-L605 HydrophobicContact CG1-CD1 4.2Å; V601-L605 HydrophobicContact CG1-CD1 4.04Å; V601-L605 WeakPolarHBondContact O-CG 3.45Å; V601-L605 PolarHBondContact O-N 2.96Å; I602-L605 PolarHBondContact O-N 3Å; L605-C607 PolarHBondContact O-N 3.25Å; L605-C607 VanDerWaalsContact O-N 3.11Å; L605-L608 WeakPolarHBondContact O-CA 3.32Å; L605-L608 PolarHBondContact O-N 3.06Å; L605-V609 WeakPolarHBondContact O-CG2 3.27Å; L605-V609 PolarHBondContact O-N 3.03Å
606N97.8Very high96.6Very high24 Ų2435.7 Ų35.713%0.12819%0.187CC..Hα-helixtrans-59.6-23.4175.8-77.3-19.3000112.7R380 T481 I602 T604 Q614 S615R380-N606 PolarHBondContact NE-O 2.7Å; R380-N606 PolarHBondContact NH1-O 3.47Å; R380-N606 PolarHBondContact NH2-O 2.98Å; R380-N606 VanDerWaalsContact NH2-O 3.07Å; T481-N606 PolarHBondContact OG1-OD1 3.25Å; I602-N606 WeakPolarHBondContact O-CB 3.28Å; I602-N606 PolarHBondContact O-N 3.4Å; T604-N606 PolarHBondContact O-N 3.26Å; N606-Q614 HydrophobicContact CB-CG 4.02Å; N606-Q614 VanDerWaalsContact OD1-CA 3.29Å; N606-Q614 WeakPolarHBondContact OD1-CA 3.19Å; N606-Q614 WeakPolarHBondContact OD1-CB 3.49Å; N606-S615 PolarHBondContact OD1-N 3.13Å
607C97.5Very high96.2Very high9 Ų938 Ų386%0.06120%0.195CC..Hα-helixtrans-80.9-18.9173.2-66.60000114R380 L381 T603 T604 L605R380-C607 HydrophobicContact CG-CB 4.21Å; L381-C607 HydrophobicContact CB-CB 4.23Å; L381-C607 HydrophobicContact CD1-CB 4.12Å; T603-C607 PolarHBondContact O-N 2.67Å; T603-C607 PolarHBondContact O-SG 3.26Å; T604-C607 WeakPolarHBondContact O-CA 3.42Å; T604-C607 WeakPolarHBondContact O-CB 3.37Å; T604-C607 PolarHBondContact O-N 3.34Å; L605-C607 PolarHBondContact O-N 3.25Å; L605-C607 VanDerWaalsContact O-N 3.11Å
608L97.7Very high96.1Very high21 Ų2137.6 Ų37.611%0.1119%0.192CC..Hα-helixtrans-99.9-30.3-175.7-66.2176.7000112.8P378 L381 I431 L435 F476 T604 L605P378-L608 HydrophobicContact CG-CD2 4.03Å; L381-L608 HydrophobicContact CB-CD2 4.42Å; L381-L608 HydrophobicContact CD2-CD2 4.01Å; I431-L608 HydrophobicContact CG2-CD1 3.7Å; L435-L608 HydrophobicContact CD1-CD2 3.8Å; L435-L608 HydrophobicContact CD2-CD2 4.07Å; F476-L608 HydrophobicContact CD1-CB 3.72Å; F476-L608 HydrophobicContact CD1-CD1 4.19Å; F476-L608 HydrophobicContact CE1-CB 4.09Å; F476-L608 HydrophobicContact CE1-CD1 3.68Å; F476-L608 HydrophobicContact CE1-CG 4.5Å; F476-L608 HydrophobicContact CG-CB 4.22Å; F476-L608 HydrophobicContact CZ-CD1 3.98Å; T604-L608 HydrophobicContact CG2-CD1 4.26Å; T604-L608 WeakPolarHBondContact O-CG 3.46Å; T604-L608 PolarHBondContact O-N 2.91Å; L605-L608 WeakPolarHBondContact O-CA 3.32Å; L605-L608 PolarHBondContact O-N 3.06Å
609V97.3Very high96Very high7 Ų740.5 Ų40.54%0.04221%0.209CC..SBendtrans-93.2156.9-178.4-550000112.8V479 T481 L605 K613 Q614V479-V609 HydrophobicContact CG2-CG1 4.25Å; T481-V609 WeakPolarHBondContact OG1-CG2 3.43Å; L605-V609 WeakPolarHBondContact O-CG2 3.27Å; L605-V609 PolarHBondContact O-N 3.03Å; V609-K613 HydrophobicContact CB-CB 4.3Å; V609-K613 HydrophobicContact CG2-CB 4.28Å; V609-Q614 HydrophobicContact CG2-CG 4.17Å
610P96.4Very high95.9Very high47 Ų4741.4 Ų41.431%0.30521%0.213SC..  trans-55.2155.1170.6-28.235.1000113.6F476 N612 K613 Q614F476-P610 WeakPolarHBondContact O-CD 3.5Å; P610-N612 VanDerWaalsContact C-N 3.34Å; P610-N612 VanDerWaalsContact CB-OD1 3.31Å; P610-N612 WeakPolarHBondContact CB-OD1 3.22Å; P610-N612 PolarHBondContact O-N 2.95Å; P610-K613 CarbonylContact O-C 3.53Å; P610-K613 WeakPolarHBondContact O-CA 3.38Å; P610-K613 PolarHBondContact O-N 2.86Å; P610-Q614 PolarHBondContact O-N 3.33Å
611E95.3Very high95.9Very high154 Ų15441 Ų4172%0.7221%0.213SC*.G310 helixtrans-62.2-37.5-173.3-60.5-168.8156.800115R380 K613 Q614R380-E611 IonicContact NH1-OE1 2.72Å; E611-K613 PolarHBondContact O-N 2.57Å; E611-Q614 PolarHBondContact O-N 2.95Å
612N96.4Very high95.8Very high131 Ų13143.3 Ų43.370%0.70122%0.223SC*.G310 helixtrans-71.5-5.3175.265.7-34.7000114.1P610P610-N612 VanDerWaalsContact C-N 3.34Å; P610-N612 VanDerWaalsContact CB-OD1 3.31Å; P610-N612 WeakPolarHBondContact CB-OD1 3.22Å; P610-N612 PolarHBondContact O-N 2.95Å
613K96.9Very high95.7Very high64 Ų6443.2 Ų43.228%0.27822%0.223SC..G310 helixtrans-115.23.7179.3-67.9-167.9-178.5177.20113.3S477 K478 G480 T481 V609 P610 E611S477-K613 PolarHBondContact O-NZ 3.14Å; K478-K613 VanDerWaalsContact C-NZ 3.26Å; K478-K613 WeakPolarHBondContact O-CE 3.18Å; K478-K613 PolarHBondContact O-NZ 2.97Å; G480-K613 WeakPolarHBondContact CA-O 3.5Å; T481-K613 PolarHBondContact N-O 2.85Å; V609-K613 HydrophobicContact CB-CB 4.3Å; V609-K613 HydrophobicContact CG2-CB 4.28Å; P610-K613 CarbonylContact O-C 3.53Å; P610-K613 WeakPolarHBondContact O-CA 3.38Å; P610-K613 PolarHBondContact O-N 2.86Å; E611-K613 PolarHBondContact O-N 2.57Å
614Q96.9Very high95.6Very high44 Ų4443.6 Ų43.621%0.20622%0.222CC..SBendtrans-64.7160.3168.8-70.4-179.755.100110.7R380 N606 V609 P610 E611 N616R380-Q614 VanDerWaalsContact CZ-NE2 3.32Å; N606-Q614 HydrophobicContact CB-CG 4.02Å; N606-Q614 VanDerWaalsContact OD1-CA 3.29Å; N606-Q614 WeakPolarHBondContact OD1-CA 3.19Å; N606-Q614 WeakPolarHBondContact OD1-CB 3.49Å; V609-Q614 HydrophobicContact CG2-CG 4.17Å; P610-Q614 PolarHBondContact O-N 3.33Å; E611-Q614 PolarHBondContact O-N 2.95Å; Q614-N616 PolarHBondContact O-N 3.21Å
615S94.7Very high95.6Very high16 Ų1645.4 Ų45.411%0.11223%0.231CC..  trans-60.5129.6-179.3-1780000112.5D482 N606 Y617 F618D482-S615 WeakPolarHBondContact OD1-CA 3.5Å; D482-S615 WeakPolarHBondContact OD1-CB 3.48Å; D482-S615 PolarHBondContact OD1-OG 3.11Å; D482-S615 WeakPolarHBondContact OD2-CA 3.36Å; N606-S615 PolarHBondContact OD1-N 3.13Å; S615-Y617 PolarHBondContact OG-N 3.08Å; S615-F618 WeakPolarHBondContact OG-CB 3.46Å; S615-F618 VanDerWaalsContact OG-CD2 3.26Å; S615-F618 WeakPolarHBondContact OG-CD2 3.48Å; S615-F618 PolarHBondContact OG-N 3.33Å
616N89.2Confident95.5Very high125 Ų12545.4 Ų45.467%0.66823%0.231SC*.SBendtrans-91.4-21.1169.4-68.8-51.2000112.3D482 N502 Q614D482-N616 PolarHBondContact OD2-N 3.15Å; N502-N616 PolarHBondContact ND2-O 2.66Å; N502-N616 VanDerWaalsContact ND2-O 3.1Å; Q614-N616 PolarHBondContact O-N 3.21Å
617Y89.1Confident95.5Very high72 Ų7244.3 Ų44.328%0.28223%0.225SC..SBendtrans-86.9-41.7-177.1-71.3-89.7000112.5D482 Y505 S615D482-Y617 HydrophobicContact CB-CD2 4.23Å; D482-Y617 WeakPolarHBondContact OD2-CD2 3.49Å; Y505-Y617 AromaticContact CE1-CD1 3.92Å; Y505-Y617 HydrophobicContact CE1-CD1 3.92Å; Y505-Y617 HydrophobicContact CE1-CG 4.29Å; Y505-Y617 AromaticContact CZ-CD1 3.82Å; S615-Y617 PolarHBondContact OG-N 3.08Å
618F94.7Very high95.4Very high6 Ų643.9 Ų43.93%0.02622%0.222CC..  trans-100.3109.3-165-61.4-73.6000111.9D482 I485 L494 Y505 S506 V509 I602 S615 F620D482-F618 WeakPolarHBondContact OD1-CD2 3.49Å; I485-F618 HydrophobicContact CG2-CE2 4.04Å; I485-F618 HydrophobicContact CG2-CZ 4.22Å; L494-F618 HydrophobicContact CD1-CE2 4.14Å; L494-F618 HydrophobicContact CD1-CZ 4.24Å; L494-F618 HydrophobicContact CD2-CZ 4.17Å; Y505-F618 HydrophobicContact CD1-CD1 4.46Å; Y505-F618 HydrophobicContact CD1-CE1 4.37Å; Y505-F618 HydrophobicContact CE1-CD1 4.44Å; Y505-F618 AromaticContact CE1-CE1 3.99Å; Y505-F618 HydrophobicContact CE1-CE1 3.99Å; Y505-F618 HydrophobicContact CE1-CZ 4.3Å; S506-F618 WeakPolarHBondContact OG-CA 3.28Å; V509-F618 HydrophobicContact CB-CE1 4.02Å; V509-F618 HydrophobicContact CG1-CE1 3.93Å; V509-F618 HydrophobicContact CG1-CZ 4.31Å; V509-F618 HydrophobicContact CG2-CE1 3.9Å; V509-F618 HydrophobicContact CG2-CZ 4.42Å; I602-F618 HydrophobicContact CD1-CB 3.56Å; I602-F618 HydrophobicContact CD1-CD1 3.85Å; I602-F618 HydrophobicContact CD1-CD2 3.48Å; I602-F618 VanDerWaalsContact CD1-CD2 3.48Å; I602-F618 HydrophobicContact CD1-CE1 4.4Å; I602-F618 HydrophobicContact CD1-CE2 4.1Å; I602-F618 HydrophobicContact CD1-CG 3.35Å; I602-F618 HydrophobicContact CG2-CB 4.09Å; S615-F618 WeakPolarHBondContact OG-CB 3.46Å; S615-F618 VanDerWaalsContact OG-CD2 3.26Å; S615-F618 WeakPolarHBondContact OG-CD2 3.48Å; S615-F618 PolarHBondContact OG-N 3.33Å; F618-F620 HydrophobicContact CB-CE2 4.03Å; F618-F620 HydrophobicContact CB-CZ 4.37Å
619T94.7Very high95.3Very high64 Ų6443 Ų4339%0.39322%0.218SC..  trans-123.4148.1163.863.70000108.5N502 F503 S506N502-T619 VanDerWaalsContact C-OG1 3.32Å; N502-T619 HydrophobicContact CB-CG2 4.14Å; N502-T619 WeakPolarHBondContact CB-OG1 3.2Å; F503-T619 WeakPolarHBondContact CA-O 3.33Å; F503-T619 PolarHBondContact N-OG1 3.07Å; S506-T619 VanDerWaalsContact CB-O 3.25Å; S506-T619 WeakPolarHBondContact CB-O 3.48Å; S506-T619 PolarHBondContact OG-N 2.99Å; S506-T619 PolarHBondContact OG-O 3.39Å
620F95.7Very high95.3Very high37 Ų3742.7 Ų42.716%0.16222%0.216CC..  trans-118.1124.9-174.5-67.4-87.9000110.6F595 L598 E599 I602 F618F595-F620 HydrophobicContact CD2-CD1 4.47Å; F595-F620 AromaticContact CE2-CD1 3.7Å; F595-F620 HydrophobicContact CE2-CD1 3.7Å; F595-F620 HydrophobicContact CE2-CE1 4.31Å; F595-F620 HydrophobicContact CZ-CB 4.32Å; F595-F620 AromaticContact CZ-CD1 3.75Å; F595-F620 HydrophobicContact CZ-CD1 3.75Å; L598-F620 HydrophobicContact CD2-CE1 4.46Å; L598-F620 HydrophobicContact CD2-CZ 4.3Å; L598-F620 HydrophobicContact CG-CZ 4.13Å; E599-F620 HydrophobicContact CB-CD1 3.75Å; E599-F620 HydrophobicContact CB-CD2 4.08Å; E599-F620 HydrophobicContact CB-CE1 3.84Å; E599-F620 HydrophobicContact CB-CE2 4.17Å; E599-F620 HydrophobicContact CB-CG 3.87Å; E599-F620 HydrophobicContact CB-CZ 4.06Å; E599-F620 HydrophobicContact CG-CB 3.94Å; E599-F620 HydrophobicContact CG-CD1 4.02Å; E599-F620 HydrophobicContact CG-CD2 3.76Å; E599-F620 HydrophobicContact CG-CE2 4.28Å; E599-F620 HydrophobicContact CG-CG 3.62Å; I602-F620 HydrophobicContact CB-CE2 4.11Å; I602-F620 HydrophobicContact CD1-CE2 4.04Å; I602-F620 HydrophobicContact CD1-CZ 3.91Å; I602-F620 HydrophobicContact CG2-CE2 4.08Å; F618-F620 HydrophobicContact CB-CE2 4.03Å; F618-F620 HydrophobicContact CB-CZ 4.37Å
621A95.4Very high95.2Very high13 Ų1344 Ų4411%0.10722%0.217CC..  trans-81.5158.7168.800000110.3F503 L626F503-A621 HydrophobicContact CB-CB 3.76Å; F503-A621 HydrophobicContact CD2-CB 3.73Å; F503-A621 HydrophobicContact CG-CB 3.84Å; A621-L626 HydrophobicContact CB-CD1 4.07Å; A621-L626 HydrophobicContact CB-CD2 3.94Å; A621-L626 HydrophobicContact CB-CG 3.92Å
622Q95.3Very high95.2Very high47 Ų4736.8 Ų36.822%0.2218%0.183CC..  trans-67.6142.5-173.1-48.8-174.82.700110.6Y127 W624 I625 L626Y127-Q622 HydrophobicContact CD1-CB 4.34Å; Y127-Q622 HydrophobicContact CD1-CG 3.55Å; Y127-Q622 HydrophobicContact CD2-CB 3.81Å; Y127-Q622 HydrophobicContact CD2-CG 3.96Å; Y127-Q622 HydrophobicContact CE1-CG 3.76Å; Y127-Q622 HydrophobicContact CE2-CB 4.04Å; Y127-Q622 HydrophobicContact CE2-CG 4.16Å; Y127-Q622 HydrophobicContact CG-CB 3.98Å; Y127-Q622 HydrophobicContact CG-CG 3.66Å; Q622-W624 PolarHBondContact O-N 3.22Å; Q622-W624 VanDerWaalsContact O-N 3.12Å; Q622-W624 VanDerWaalsContact OE1-CE2 3.27Å; Q622-I625 HydrophobicContact CB-CD1 4.14Å; Q622-I625 HydrophobicContact CB-CG1 4.29Å; Q622-I625 HydrophobicContact CG-CD1 4.27Å; Q622-I625 WeakPolarHBondContact O-CA 3.37Å; Q622-I625 WeakPolarHBondContact O-CB 3.31Å; Q622-I625 PolarHBondContact O-N 3.32Å; Q622-L626 PolarHBondContact O-N 3.36Å
623P96.6Very high95.3Very high0 Ų030.5 Ų30.50%015%0.15CC..Hα-helixtrans-58.9-27.4-177.4-29.635.2000115.2K123 V124 Y127 F595 I625 F627K123-P623 HydrophobicContact CB-CG 3.96Å; K123-P623 HydrophobicContact CD-CG 4.32Å; V124-P623 HydrophobicContact CG2-CB 3.93Å; Y127-P623 HydrophobicContact CE2-CG 4.4Å; F595-P623 HydrophobicContact CE1-CG 4.3Å; P623-I625 PolarHBondContact O-N 3.24Å; P623-F627 HydrophobicContact CB-CD2 4.14Å; P623-F627 CarbonylContact O-C 3.49Å; P623-F627 VanDerWaalsContact O-CA 3.28Å; P623-F627 WeakPolarHBondContact O-CA 3.35Å; P623-F627 VanDerWaalsContact O-CB 3.29Å; P623-F627 WeakPolarHBondContact O-CB 3.33Å; P623-F627 PolarHBondContact O-N 3.28Å
624W95.6Very high95.2Very high35 Ų3527.9 Ų27.913%0.13314%0.138CC..Hα-helixtrans-73.9-17.6174.766.8-97.3000113N51 L52 Y55 V124 N545 Q622 P628N51-W624 HydrophobicContact CB-CB 3.97Å; N51-W624 WeakPolarHBondContact O-CB 3.36Å; L52-W624 HydrophobicContact CD1-CD2 4.44Å; L52-W624 HydrophobicContact CD1-CE3 3.46Å; L52-W624 VanDerWaalsContact CD1-CE3 3.46Å; L52-W624 HydrophobicContact CD1-CZ3 3.96Å; Y55-W624 AromaticContact CD1-CD2 3.95Å; Y55-W624 HydrophobicContact CD1-CD2 3.95Å; Y55-W624 AromaticContact CD1-CE2 4Å; Y55-W624 HydrophobicContact CD1-CE3 4.28Å; Y55-W624 HydrophobicContact CD1-CG 4.3Å; Y55-W624 HydrophobicContact CD1-CZ2 4.39Å; Y55-W624 AromaticContact CD2-CD1 3.5Å; Y55-W624 VanDerWaalsContact CD2-CD1 3.5Å; Y55-W624 HydrophobicContact CD2-CD2 4.24Å; Y55-W624 AromaticContact CD2-CE2 3.86Å; Y55-W624 HydrophobicContact CD2-CG 4.03Å; Y55-W624 AromaticContact CD2-NE1 3.34Å; Y55-W624 VanDerWaalsContact CD2-NE1 3.34Å; Y55-W624 HydrophobicContact CE1-CD2 4.25Å; Y55-W624 AromaticContact CE1-CE2 3.89Å; Y55-W624 HydrophobicContact CE1-CH2 4.14Å; Y55-W624 AromaticContact CE1-CZ2 3.85Å; Y55-W624 HydrophobicContact CE1-CZ2 3.85Å; Y55-W624 HydrophobicContact CE1-CZ3 4.46Å; Y55-W624 AromaticContact CE2-CE2 3.76Å; Y55-W624 HydrophobicContact CE2-CZ2 4.09Å; Y55-W624 AromaticContact CE2-NE1 3.4Å; Y55-W624 HydrophobicContact CG-CB 4.43Å; Y55-W624 AromaticContact CG-CD1 3.76Å; Y55-W624 AromaticContact CG-CD2 3.94Å; Y55-W624 HydrophobicContact CG-CD2 3.94Å; Y55-W624 AromaticContact CG-CE2 3.98Å; Y55-W624 AromaticContact CG-CG 3.81Å; Y55-W624 HydrophobicContact CG-CG 3.81Å; Y55-W624 AromaticContact CG-NE1 3.82Å; Y55-W624 AromaticContact CZ-CE2 3.77Å; Y55-W624 AromaticContact CZ-CZ2 3.69Å; Y55-W624 AromaticContact CZ-NE1 3.92Å; V124-W624 HydrophobicContact CG1-CB 4.34Å; V124-W624 HydrophobicContact CG2-CB 4.35Å; N545-W624 PolarHBondContact ND2-O 2.96Å; Q622-W624 PolarHBondContact O-N 3.22Å; Q622-W624 VanDerWaalsContact O-N 3.12Å; Q622-W624 VanDerWaalsContact OE1-CE2 3.27Å; W624-P628 WeakPolarHBondContact O-CA 3.25Å
625I95.8Very high95.1Very high37 Ų3726.3 Ų26.319%0.1913%0.131CC..Hα-helixtrans-80.6-50.6171.5-60.5174.2000109.7N545 I546 Q622 P623N545-I625 VanDerWaalsContact ND2-CA 3.34Å; N545-I625 WeakPolarHBondContact ND2-CA 3.37Å; N545-I625 PolarHBondContact ND2-O 2.96Å; I546-I625 HydrophobicContact CG1-CG2 3.65Å; Q622-I625 HydrophobicContact CB-CD1 4.14Å; Q622-I625 HydrophobicContact CB-CG1 4.29Å; Q622-I625 HydrophobicContact CG-CD1 4.27Å; Q622-I625 WeakPolarHBondContact O-CA 3.37Å; Q622-I625 WeakPolarHBondContact O-CB 3.31Å; Q622-I625 PolarHBondContact O-N 3.32Å; P623-I625 PolarHBondContact O-N 3.24Å
626L97.2Very high95.1Very high1 Ų125.6 Ų25.61%0.00513%0.126CC..Hα-helixtrans-80.7-30-174.2-58.5-177.7000113.5L507 A542 I546 F595 A621 Q622 P628L507-L626 HydrophobicContact CB-CD1 4.43Å; L507-L626 HydrophobicContact CD1-CD1 4.5Å; L507-L626 HydrophobicContact CD2-CB 4.49Å; L507-L626 HydrophobicContact CD2-CD2 4.12Å; A542-L626 HydrophobicContact CB-CB 4.5Å; A542-L626 HydrophobicContact CB-CD2 4.33Å; A542-L626 VanDerWaalsContact CB-O 3.29Å; A542-L626 WeakPolarHBondContact CB-O 3.47Å; I546-L626 HydrophobicContact CD1-CD2 4.32Å; F595-L626 HydrophobicContact CD2-CD1 4.37Å; F595-L626 HydrophobicContact CE2-CD1 3.43Å; F595-L626 VanDerWaalsContact CE2-CD1 3.43Å; F595-L626 HydrophobicContact CZ-CD1 3.73Å; A621-L626 HydrophobicContact CB-CD1 4.07Å; A621-L626 HydrophobicContact CB-CD2 3.94Å; A621-L626 HydrophobicContact CB-CG 3.92Å; Q622-L626 PolarHBondContact O-N 3.36Å; L626-P628 VanDerWaalsContact C-CD 3.46Å
627F97.1Very high95.5Very high0 Ų019.7 Ų19.70%09%0.094CC..SBendtrans-128.460.2-176.8-48.2-62.2000110.1N51 L507 V538 F588 I591 Q592 F595 P623 S629N51-F627 VanDerWaalsContact CB-O 3.32Å; N51-F627 WeakPolarHBondContact CB-O 3.22Å; N51-F627 PolarHBondContact ND2-O 3.01Å; L507-F627 HydrophobicContact CD1-CE1 4.06Å; L507-F627 HydrophobicContact CD1-CZ 3.95Å; V538-F627 HydrophobicContact CG1-CD1 3.95Å; V538-F627 HydrophobicContact CG1-CE1 3.7Å; F588-F627 HydrophobicContact CE2-CB 4.19Å; F588-F627 AromaticContact CE2-CD1 3.81Å; F588-F627 HydrophobicContact CE2-CD1 3.81Å; F588-F627 HydrophobicContact CE2-CG 4.29Å; F588-F627 HydrophobicContact CZ-CB 3.98Å; F588-F627 HydrophobicContact CZ-CD1 4.46Å; I591-F627 HydrophobicContact CG2-CE1 3.94Å; I591-F627 HydrophobicContact CG2-CZ 4.28Å; Q592-F627 HydrophobicContact CG-CD1 4.44Å; Q592-F627 HydrophobicContact CG-CD2 4.16Å; Q592-F627 HydrophobicContact CG-CE2 4.34Å; Q592-F627 HydrophobicContact CG-CG 4.21Å; F595-F627 HydrophobicContact CB-CE2 4.1Å; F595-F627 HydrophobicContact CB-CZ 3.97Å; F595-F627 AromaticContact CD1-CE2 3.84Å; F595-F627 HydrophobicContact CD1-CE2 3.84Å; F595-F627 HydrophobicContact CD1-CZ 4.46Å; F595-F627 HydrophobicContact CD2-CE2 4.03Å; F595-F627 AromaticContact CD2-CZ 3.94Å; F595-F627 HydrophobicContact CD2-CZ 3.94Å; F595-F627 HydrophobicContact CE1-CE2 4.28Å; F595-F627 HydrophobicContact CE2-CE2 4.45Å; F595-F627 AromaticContact CG-CE2 3.7Å; F595-F627 HydrophobicContact CG-CE2 3.7Å; F595-F627 AromaticContact CG-CZ 3.86Å; F595-F627 HydrophobicContact CG-CZ 3.86Å; P623-F627 HydrophobicContact CB-CD2 4.14Å; P623-F627 CarbonylContact O-C 3.49Å; P623-F627 VanDerWaalsContact O-CA 3.28Å; P623-F627 WeakPolarHBondContact O-CA 3.35Å; P623-F627 VanDerWaalsContact O-CB 3.29Å; P623-F627 WeakPolarHBondContact O-CB 3.33Å; P623-F627 PolarHBondContact O-N 3.28Å; F627-S629 PolarHBondContact O-N 3.46Å
628P95.9Very high95.7Very high0 Ų017.5 Ų17.50%09%0.088CC..  trans-62.3-41.7-167.224-34.6000113.5N51 L52 C541 N545 Y560 W624 L626N51-P628 PolarHBondContact N-O 2.89Å; L52-P628 HydrophobicContact CB-CB 4.11Å; L52-P628 VanDerWaalsContact CB-O 3.32Å; L52-P628 WeakPolarHBondContact CB-O 3.18Å; L52-P628 HydrophobicContact CD2-CB 4.47Å; L52-P628 PolarHBondContact N-O 2.87Å; C541-P628 HydrophobicContact CB-CG 4.42Å; N545-P628 HydrophobicContact CB-CG 4.08Å; Y560-P628 HydrophobicContact CD2-CB 4.16Å; Y560-P628 HydrophobicContact CE2-CB 3.84Å; Y560-P628 HydrophobicContact CE2-CG 4.07Å; W624-P628 WeakPolarHBondContact O-CA 3.25Å; L626-P628 VanDerWaalsContact C-CD 3.46Å
629S95.9Very high95.6Very high3 Ų317.7 Ų17.72%0.0219%0.089CC..  trans-145119.7-177.3172.10000111.2E50 F627 K631 L632 V633E50-S629 WeakPolarHBondContact OE2-CA 3.41Å; E50-S629 WeakPolarHBondContact OE2-CB 3.22Å; E50-S629 PolarHBondContact OE2-OG 3.4Å; F627-S629 PolarHBondContact O-N 3.46Å; S629-K631 PolarHBondContact OG-N 2.86Å; S629-L632 PolarHBondContact O-N 3.44Å; S629-L632 PolarHBondContact OG-N 3.48Å; S629-L632 VanDerWaalsContact OG-N 3.11Å; S629-V633 WeakPolarHBondContact O-CG2 3.36Å; S629-V633 PolarHBondContact O-N 3.01Å; S629-V633 VanDerWaalsContact O-N 3.1Å
630G96Very high95.6Very high0 Ų014.7 Ų14.70%07%0.07CC..Hα-helixtrans-66.4-36174.300000112.7Y47 G49 E50 V633 H634Y47-G630 VanDerWaalsContact O-CA 3.24Å; Y47-G630 WeakPolarHBondContact O-CA 3.26Å; G49-G630 PolarHBondContact O-N 3.46Å; E50-G630 PolarHBondContact OE1-N 3.11Å; G630-V633 PolarHBondContact O-N 3.49Å; G630-H634 VanDerWaalsContact O-CB 3.25Å; G630-H634 WeakPolarHBondContact O-CB 3.46Å; G630-H634 PolarHBondContact O-N 3.39Å
631K94.6Very high95.5Very high75 Ų7515.4 Ų15.433%0.3268%0.076SC..Hα-helixtrans-60.8-44.2171.4-77.1171.7-175.2179.90112.4Y47 E50 S629 H634 F635Y47-K631 HydrophobicContact CD1-CG 4.07Å; Y47-K631 HydrophobicContact CD2-CD 4.26Å; Y47-K631 HydrophobicContact CD2-CG 3.42Å; Y47-K631 VanDerWaalsContact CD2-CG 3.42Å; Y47-K631 HydrophobicContact CE1-CG 4.36Å; Y47-K631 HydrophobicContact CE2-CD 4.37Å; Y47-K631 HydrophobicContact CE2-CG 3.76Å; Y47-K631 HydrophobicContact CG-CB 4.48Å; Y47-K631 HydrophobicContact CG-CG 3.59Å; E50-K631 WeakPolarHBondContact OE1-CB 3.42Å; E50-K631 WeakPolarHBondContact OE1-CG 3.2Å; E50-K631 PolarHBondContact OE1-N 3.45Å; S629-K631 PolarHBondContact OG-N 2.86Å; K631-H634 PolarHBondContact O-N 2.87Å; K631-F635 WeakPolarHBondContact O-CB 3.47Å; K631-F635 PolarHBondContact O-N 3.36Å
632L95.8Very high95.3Very high2 Ų218.1 Ų18.11%0.0110%0.095CC..Hα-helixtrans-64.1-44.7178.3-177.263.5000111.4Y560 L563 S629 H634 F635 L636 L660Y560-L632 HydrophobicContact CD1-CD2 3.61Å; Y560-L632 HydrophobicContact CD2-CD2 4.36Å; Y560-L632 HydrophobicContact CE1-CD2 4.09Å; Y560-L632 HydrophobicContact CG-CD2 3.78Å; L563-L632 HydrophobicContact CB-CD1 4Å; S629-L632 PolarHBondContact O-N 3.44Å; S629-L632 PolarHBondContact OG-N 3.48Å; S629-L632 VanDerWaalsContact OG-N 3.11Å; L632-H634 VanDerWaalsContact C-N 3.34Å; L632-F635 PolarHBondContact O-N 3.25Å; L632-L636 WeakPolarHBondContact O-CB 3.37Å; L632-L636 PolarHBondContact O-N 2.98Å; L632-L660 HydrophobicContact CD1-CD2 4.02Å; L632-L660 HydrophobicContact CD2-CD2 3.95Å; L632-L660 HydrophobicContact CG-CD2 4.25Å
633V97.3Very high95.3Very high0 Ų018.4 Ų18.40%010%0.097CC..Hα-helixtrans-60.8-44.9174.6171.90000110.6A537 V538 C541 F588 S629 G630 L636 A637A537-V633 HydrophobicContact CB-CG1 4.23Å; V538-V633 HydrophobicContact CG2-CG1 3.76Å; V538-V633 HydrophobicContact CG2-CG2 4.35Å; C541-V633 HydrophobicContact CB-CG2 4.17Å; F588-V633 HydrophobicContact CB-CG1 4.43Å; F588-V633 HydrophobicContact CD2-CB 4.49Å; F588-V633 HydrophobicContact CD2-CG1 3.85Å; F588-V633 HydrophobicContact CE2-CB 4.43Å; F588-V633 HydrophobicContact CE2-CG1 4.21Å; F588-V633 HydrophobicContact CE2-CG2 4.1Å; F588-V633 HydrophobicContact CG-CG1 4.08Å; F588-V633 HydrophobicContact CZ-CG2 4.3Å; S629-V633 WeakPolarHBondContact O-CG2 3.36Å; S629-V633 PolarHBondContact O-N 3.01Å; S629-V633 VanDerWaalsContact O-N 3.1Å; G630-V633 PolarHBondContact O-N 3.49Å; V633-L636 PolarHBondContact O-N 3.11Å; V633-A637 WeakPolarHBondContact O-CB 3.32Å; V633-A637 PolarHBondContact O-N 3.01Å
634H95.5Very high95.2Very high9 Ų925 Ų254%0.04213%0.128CC..Hα-helixtrans-60.2-49.4178.2169.3-90.1000112.2Y47 R581 V584 G630 K631 L632 T638Y47-H634 HydrophobicContact CD1-CB 3.88Å; Y47-H634 AromaticContact CD1-CG 3.83Å; Y47-H634 HydrophobicContact CE1-CB 4.42Å; Y47-H634 AromaticContact CE1-CG 3.94Å; Y47-H634 AromaticContact CE1-ND1 3.77Å; R581-H634 PolarHBondContact N-NE2 3.28Å; R581-H634 VanDerWaalsContact N-NE2 3.14Å; V584-H634 HydrophobicContact CG1-CB 4.29Å; G630-H634 VanDerWaalsContact O-CB 3.25Å; G630-H634 WeakPolarHBondContact O-CB 3.46Å; G630-H634 PolarHBondContact O-N 3.39Å; K631-H634 PolarHBondContact O-N 2.87Å; L632-H634 VanDerWaalsContact C-N 3.34Å; H634-T638 WeakPolarHBondContact O-CB 3.42Å; H634-T638 PolarHBondContact O-N 2.88Å; H634-T638 PolarHBondContact O-OG1 2.81Å
635F94.8Very high95.2Very high11 Ų1125.7 Ų25.75%0.04814%0.137CC..Hα-helixtrans-57.1-55.6177169.3-103.7000110.7M566 K631 L632 A637 T638 Q639 W656M566-F635 HydrophobicContact CB-CZ 4.18Å; K631-F635 WeakPolarHBondContact O-CB 3.47Å; K631-F635 PolarHBondContact O-N 3.36Å; L632-F635 PolarHBondContact O-N 3.25Å; F635-A637 PolarHBondContact O-N 2.86Å; F635-T638 WeakPolarHBondContact O-CB 3.46Å; F635-T638 PolarHBondContact O-N 3.09Å; F635-T638 VanDerWaalsContact O-N 3.16Å; F635-Q639 HydrophobicContact CE1-CG 4.31Å; F635-Q639 HydrophobicContact CE2-CG 4.18Å; F635-Q639 HydrophobicContact CZ-CG 4.05Å; F635-Q639 WeakPolarHBondContact O-CG 3.19Å; F635-Q639 PolarHBondContact O-N 3.31Å; F635-Q639 VanDerWaalsContact O-N 3.08Å; F635-W656 AromaticContact CE1-CH2 3.81Å; F635-W656 HydrophobicContact CE1-CH2 3.81Å; F635-W656 AromaticContact CE1-CZ3 3.64Å; F635-W656 HydrophobicContact CE1-CZ3 3.64Å; F635-W656 AromaticContact CZ-CH2 3.86Å; F635-W656 HydrophobicContact CZ-CH2 3.86Å; F635-W656 HydrophobicContact CZ-CZ3 4.09Å
636L95.9Very high95.2Very high1 Ų129 Ų291%0.00516%0.163CC..Hα-helixtrans-63.1-43.9-176.8179.656.7000112.1A537 S540 L632 V633 T638 Q639 L640 W656 L660A537-L636 HydrophobicContact CB-CB 4.05Å; A537-L636 HydrophobicContact CB-CD2 4.08Å; A537-L636 HydrophobicContact CB-CG 3.89Å; S540-L636 WeakPolarHBondContact OG-CD2 3.11Å; L632-L636 WeakPolarHBondContact O-CB 3.37Å; L632-L636 PolarHBondContact O-N 2.98Å; V633-L636 PolarHBondContact O-N 3.11Å; L636-T638 VanDerWaalsContact C-N 3.27Å; L636-T638 PolarHBondContact O-N 3.4Å; L636-Q639 PolarHBondContact O-N 3.02Å; L636-L640 HydrophobicContact CD1-CD1 4.21Å; L636-L640 HydrophobicContact CD1-CG 4.21Å; L636-L640 HydrophobicContact CG-CD1 4.09Å; L636-L640 VanDerWaalsContact O-CG 3.31Å; L636-L640 WeakPolarHBondContact O-CG 3.38Å; L636-L640 PolarHBondContact O-N 3.38Å; L636-W656 HydrophobicContact CD1-CB 3.73Å; L636-W656 HydrophobicContact CD1-CD2 3.45Å; L636-W656 VanDerWaalsContact CD1-CD2 3.45Å; L636-W656 HydrophobicContact CD1-CE3 3.99Å; L636-W656 HydrophobicContact CD1-CG 3.31Å; L636-L660 HydrophobicContact CD2-CD1 4Å
637A96.2Very high95.2Very high0 Ų031.7 Ų31.70%018%0.182CC..Hα-helixtrans-60-39.5176.600000111.4V534 A537 V584 V633 F635 Q639 L640 D641V534-A637 HydrophobicContact CG2-CB 4.05Å; A537-A637 HydrophobicContact CB-CB 3.83Å; V584-A637 HydrophobicContact CG1-CB 3.6Å; V584-A637 HydrophobicContact CG2-CB 4.45Å; V633-A637 WeakPolarHBondContact O-CB 3.32Å; V633-A637 PolarHBondContact O-N 3.01Å; F635-A637 PolarHBondContact O-N 2.86Å; A637-Q639 PolarHBondContact O-N 3.45Å; A637-L640 PolarHBondContact O-N 3.29Å; A637-D641 WeakPolarHBondContact O-CB 3.47Å; A637-D641 PolarHBondContact O-N 2.89Å
638T93.9Very high95.2Very high26 Ų2632.7 Ų32.716%0.1619%0.186CC..Hα-helixtrans-64.5-39.1176.8-54.90000111.9H634 F635 L636 L640 D641 S642H634-T638 WeakPolarHBondContact O-CB 3.42Å; H634-T638 PolarHBondContact O-N 2.88Å; H634-T638 PolarHBondContact O-OG1 2.81Å; F635-T638 WeakPolarHBondContact O-CB 3.46Å; F635-T638 PolarHBondContact O-N 3.09Å; F635-T638 VanDerWaalsContact O-N 3.16Å; L636-T638 VanDerWaalsContact C-N 3.27Å; L636-T638 PolarHBondContact O-N 3.4Å; T638-L640 VanDerWaalsContact C-N 3.33Å; T638-L640 PolarHBondContact O-N 3.44Å; T638-D641 PolarHBondContact O-N 2.67Å; T638-S642 PolarHBondContact O-N 3Å
639Q92.1Very high95.3Very high11 Ų1135.7 Ų35.75%0.05120%0.197CC..Hα-helixtrans-67.9-31.7174.7-58.1-56.9-71.600113.1D568 F635 L636 A637 S642 W656D568-Q639 PolarHBondContact OD1-NE2 2.91Å; F635-Q639 HydrophobicContact CE1-CG 4.31Å; F635-Q639 HydrophobicContact CE2-CG 4.18Å; F635-Q639 HydrophobicContact CZ-CG 4.05Å; F635-Q639 WeakPolarHBondContact O-CG 3.19Å; F635-Q639 PolarHBondContact O-N 3.31Å; F635-Q639 VanDerWaalsContact O-N 3.08Å; L636-Q639 PolarHBondContact O-N 3.02Å; A637-Q639 PolarHBondContact O-N 3.45Å; Q639-S642 PolarHBondContact O-OG 3.42Å; Q639-W656 HydrophobicContact CB-CH2 4.26Å; Q639-W656 HydrophobicContact CB-CZ2 3.51Å; Q639-W656 HydrophobicContact CG-CH2 3.71Å; Q639-W656 HydrophobicContact CG-CZ2 3.47Å; Q639-W656 VanDerWaalsContact CG-CZ2 3.47Å
640L95.3Very high95.3Very high0 Ų043 Ų430%023%0.226CC..Hα-helixtrans-79.3-31.7177.4-65.2173.7000111.5L536 A537 L636 A637 T638 S642 L643 R648 V652L536-L640 HydrophobicContact CB-CD1 4.03Å; A537-L640 HydrophobicContact CB-CD1 4.45Å; L636-L640 HydrophobicContact CD1-CD1 4.21Å; L636-L640 HydrophobicContact CD1-CG 4.21Å; L636-L640 HydrophobicContact CG-CD1 4.09Å; L636-L640 VanDerWaalsContact O-CG 3.31Å; L636-L640 WeakPolarHBondContact O-CG 3.38Å; L636-L640 PolarHBondContact O-N 3.38Å; A637-L640 PolarHBondContact O-N 3.29Å; T638-L640 VanDerWaalsContact C-N 3.33Å; T638-L640 PolarHBondContact O-N 3.44Å; L640-S642 VanDerWaalsContact C-N 3.26Å; L640-S642 PolarHBondContact O-N 3.5Å; L640-L643 HydrophobicContact CD2-CD1 4.38Å; L640-L643 WeakPolarHBondContact O-CB 3.28Å; L640-L643 PolarHBondContact O-N 2.88Å; L640-L643 VanDerWaalsContact O-N 3.1Å; L640-R648 HydrophobicContact CB-CG 4.38Å; L640-R648 WeakPolarHBondContact O-CD 3.49Å; L640-R648 WeakPolarHBondContact O-CG 3.36Å; L640-R648 PolarHBondContact O-NE 3.12Å; L640-V652 HydrophobicContact CD1-CG2 3.4Å; L640-V652 VanDerWaalsContact CD1-CG2 3.4Å; L640-V652 HydrophobicContact CD2-CG2 3.45Å; L640-V652 VanDerWaalsContact CD2-CG2 3.45Å; L640-V652 HydrophobicContact CG-CG2 4.05Å
641D93.2Very high95.3Very high52 Ų5243.7 Ų43.728%0.27823%0.23SC..Hα-helixtrans-64.8-31.3178.7-158.748.8000112.1R581 A637 T638 L643 R648R581-D641 IonicContact CZ-OD2 2.67Å; R581-D641 IonicContact NH1-OD2 3.65Å; R581-D641 PolarHBondContact NH1-OD2 2.86Å; R581-D641 IonicContact NH2-OD2 3.43Å; R581-D641 PolarHBondContact NH2-OD2 2.99Å; A637-D641 WeakPolarHBondContact O-CB 3.47Å; A637-D641 PolarHBondContact O-N 2.89Å; T638-D641 PolarHBondContact O-N 2.67Å; D641-L643 PolarHBondContact O-N 3.24Å; D641-R648 PolarHBondContact O-NH2 2.84Å; D641-R648 IonicContact OD1-NH2 3.94Å
642S91.2Very high95.5Very high71 Ų7140.1 Ų40.150%0.49721%0.214SC..THydrogen-bonded Turntrans-71.7-0.8173.965.40000114.6L570 T638 Q639 L640L570-S642 VanDerWaalsContact CD1-OG 3.3Å; L570-S642 WeakPolarHBondContact CD1-OG 3.46Å; T638-S642 PolarHBondContact O-N 3Å; Q639-S642 PolarHBondContact O-OG 3.42Å; L640-S642 VanDerWaalsContact C-N 3.26Å; L640-S642 PolarHBondContact O-N 3.5Å
643L94.7Very high95.5Very high53 Ų5340.9 Ų40.928%0.27722%0.219SC..SBendtrans-109.5151177.2-55.6175.5000110.4L640 D641 R648 S651L640-L643 HydrophobicContact CD2-CD1 4.38Å; L640-L643 WeakPolarHBondContact O-CB 3.28Å; L640-L643 PolarHBondContact O-N 2.88Å; L640-L643 VanDerWaalsContact O-N 3.1Å; D641-L643 PolarHBondContact O-N 3.24Å; L643-R648 HydrophobicContact CB-CG 4.11Å; L643-R648 PolarHBondContact O-NE 3.2Å; L643-R648 PolarHBondContact O-NH2 3.08Å; L643-R648 VanDerWaalsContact O-NH2 3.11Å; L643-S651 VanDerWaalsContact CD1-CB 3.48Å; L643-S651 WeakPolarHBondContact CD1-OG 3.18Å
644E95.2Very high95.4Very high139 Ų13948.7 Ų48.765%0.6525%0.248SC*.  trans-55.5140168.5-68.9-57.7146.800111.1S646 S647 R648E644-S646 PolarHBondContact O-N 3.48Å; E644-S646 VanDerWaalsContact O-N 3.09Å; E644-S647 PolarHBondContact O-N 3.38Å; E644-R648 PolarHBondContact O-N 3.31Å
645P96Very high95.4Very high48 Ų4850.9 Ų50.931%0.31226%0.262SS..Hα-helixtrans-50-39.9-177.4-30.235.7000114.4P526 S647 R648P526-P645 HydrophobicContact CB-CB 4.32Å; P526-P645 HydrophobicContact CG-CB 4.43Å; P645-S647 VanDerWaalsContact C-N 3.25Å; P645-S647 PolarHBondContact O-N 3.33Å; P645-R648 PolarHBondContact O-N 3.07Å
646S95.4Very high95.4Very high107 Ų10751.2 Ų51.275%0.74826%0.263SS*.Hα-helixtrans-65.5-23.1178.751.80000114.3E644E644-S646 PolarHBondContact O-N 3.48Å; E644-S646 VanDerWaalsContact O-N 3.09Å
647S96.4Very high95.4Very high57 Ų5751.2 Ų51.240%0.39926%0.263SS..Hα-helixtrans-93.4-16-176.9-59.30000113.1E644 P645 Y650 S651E644-S647 PolarHBondContact O-N 3.38Å; P645-S647 VanDerWaalsContact C-N 3.25Å; P645-S647 PolarHBondContact O-N 3.33Å; S647-Y650 PolarHBondContact O-N 2.91Å; S647-S651 PolarHBondContact O-N 2.94Å
648R97.4Very high95.3Very high22 Ų2253.3 Ų53.38%0.08328%0.276CS..Hα-helixtrans-63.5-46.3-173-67.6171.6-172.8179.7-9.2112.7G531 L536 L640 D641 L643 E644 P645 Y650 S651 V652G531-R648 WeakPolarHBondContact O-CD 3.43Å; G531-R648 PolarHBondContact O-NH1 3.45Å; L536-R648 HydrophobicContact CD1-CB 3.72Å; L640-R648 HydrophobicContact CB-CG 4.38Å; L640-R648 WeakPolarHBondContact O-CD 3.49Å; L640-R648 WeakPolarHBondContact O-CG 3.36Å; L640-R648 PolarHBondContact O-NE 3.12Å; D641-R648 PolarHBondContact O-NH2 2.84Å; D641-R648 IonicContact OD1-NH2 3.94Å; L643-R648 HydrophobicContact CB-CG 4.11Å; L643-R648 PolarHBondContact O-NE 3.2Å; L643-R648 PolarHBondContact O-NH2 3.08Å; L643-R648 VanDerWaalsContact O-NH2 3.11Å; E644-R648 PolarHBondContact O-N 3.31Å; P645-R648 PolarHBondContact O-N 3.07Å; R648-Y650 VanDerWaalsContact C-N 3.33Å; R648-Y650 PolarHBondContact O-N 3.23Å; R648-S651 WeakPolarHBondContact O-CB 3.29Å; R648-S651 PolarHBondContact O-N 3.2Å; R648-V652 WeakPolarHBondContact O-CG2 3.31Å; R648-V652 PolarHBondContact O-N 3.03Å
649R97.5Very high95.3Very high63 Ų6355.9 Ų55.924%0.23829%0.285CS..Hα-helixtrans-55.7-46.5176.2177.9176.2176.3159.90.8112.1V652 L653 I685 D686R649-V652 PolarHBondContact O-N 3.22Å; R649-L653 HydrophobicContact CG-CD1 3.95Å; R649-L653 WeakPolarHBondContact O-CG 3.48Å; R649-L653 PolarHBondContact O-N 3.2Å; R649-L653 VanDerWaalsContact O-N 3.12Å; R649-I685 HydrophobicContact CG-CD1 4.48Å; R649-D686 IonicContact CZ-OD1 3.49Å; R649-D686 IonicContact NH1-OD1 3.26Å; R649-D686 PolarHBondContact NH1-OD1 3.38Å; R649-D686 IonicContact NH2-OD1 3.89Å; R649-D686 PolarHBondContact NH2-OD1 3.42Å; R649-D686 IonicContact NH2-OD2 2.83Å; R649-D686 PolarHBondContact NH2-OD2 2.82Å
650Y97Very high95.4Very high157 Ų15755.6 Ų55.662%0.61628%0.284SS*.Hα-helixtrans-61.5-47.3177.8177.1-88.1000111.4S647 R648 V652 L653 R654S647-Y650 PolarHBondContact O-N 2.91Å; R648-Y650 VanDerWaalsContact C-N 3.33Å; R648-Y650 PolarHBondContact O-N 3.23Å; Y650-V652 PolarHBondContact O-N 2.83Å; Y650-L653 PolarHBondContact O-N 2.91Å; Y650-R654 HydrophobicContact CD1-CG 4.45Å; Y650-R654 HydrophobicContact CD2-CG 4.05Å; Y650-R654 HydrophobicContact CE1-CB 4.15Å; Y650-R654 HydrophobicContact CE1-CG 4.12Å; Y650-R654 HydrophobicContact CE2-CG 3.72Å; Y650-R654 HydrophobicContact CG-CG 4.41Å; Y650-R654 WeakPolarHBondContact O-CB 3.29Å; Y650-R654 PolarHBondContact O-N 3.17Å
651S96.7Very high95.4Very high13 Ų1355.9 Ų55.99%0.09129%0.286CS..Hα-helixtrans-58.3-45.4178.8-178.20000112L643 S647 R648 L653 V655 W656L643-S651 VanDerWaalsContact CD1-CB 3.48Å; L643-S651 WeakPolarHBondContact CD1-OG 3.18Å; S647-S651 PolarHBondContact O-N 2.94Å; R648-S651 WeakPolarHBondContact O-CB 3.29Å; R648-S651 PolarHBondContact O-N 3.2Å; S651-L653 PolarHBondContact O-N 3.43Å; S651-V655 WeakPolarHBondContact O-CA 3.35Å; S651-V655 VanDerWaalsContact O-CB 3.27Å; S651-V655 WeakPolarHBondContact O-CB 3.31Å; S651-V655 PolarHBondContact O-N 3.26Å; S651-W656 PolarHBondContact O-N 3.07Å; S651-W656 VanDerWaalsContact O-N 3.17Å
652V97.2Very high95.3Very high0 Ų054.4 Ų54.40%028%0.278CS..Iπ-helixtrans-60.9-47.7177172.60000111.6L536 L640 R648 R649 Y650 W656 L657 L681L536-V652 HydrophobicContact CB-CG2 4.05Å; L536-V652 HydrophobicContact CD1-CG2 4.19Å; L640-V652 HydrophobicContact CD1-CG2 3.4Å; L640-V652 VanDerWaalsContact CD1-CG2 3.4Å; L640-V652 HydrophobicContact CD2-CG2 3.45Å; L640-V652 VanDerWaalsContact CD2-CG2 3.45Å; L640-V652 HydrophobicContact CG-CG2 4.05Å; R648-V652 WeakPolarHBondContact O-CG2 3.31Å; R648-V652 PolarHBondContact O-N 3.03Å; R649-V652 PolarHBondContact O-N 3.22Å; Y650-V652 PolarHBondContact O-N 2.83Å; V652-W656 PolarHBondContact O-N 2.68Å; V652-L657 WeakPolarHBondContact O-CB 3.46Å; V652-L657 PolarHBondContact O-N 2.89Å; V652-L681 HydrophobicContact CG1-CD2 3.78Å
653L97.3Very high95.1Very high19 Ų1954 Ų5410%0.09927%0.269CS..Iπ-helixtrans-68.8-40-176.7-68.4169.7000113.1R649 Y650 S651 T678 L681 I682R649-L653 HydrophobicContact CG-CD1 3.95Å; R649-L653 WeakPolarHBondContact O-CG 3.48Å; R649-L653 PolarHBondContact O-N 3.2Å; R649-L653 VanDerWaalsContact O-N 3.12Å; Y650-L653 PolarHBondContact O-N 2.91Å; S651-L653 PolarHBondContact O-N 3.43Å; L653-T678 HydrophobicContact CD2-CG2 4.2Å; L653-L681 HydrophobicContact CD2-CB 4.25Å; L653-L681 HydrophobicContact CD2-CD2 3.92Å; L653-L681 HydrophobicContact CD2-CG 4.01Å; L653-I682 HydrophobicContact CD1-CD1 4.47Å; L653-I682 HydrophobicContact CD1-CG1 3.89Å; L653-I682 HydrophobicContact CD2-CG1 3.76Å
654R95Very high94.5Very high164 Ų16458.2 Ų58.262%0.61929%0.285SS*.Iπ-helixtrans-97.2-29.2-171.1-64.2-60.7-170.6-156.91114.4Y650Y650-R654 HydrophobicContact CD1-CG 4.45Å; Y650-R654 HydrophobicContact CD2-CG 4.05Å; Y650-R654 HydrophobicContact CE1-CB 4.15Å; Y650-R654 HydrophobicContact CE1-CG 4.12Å; Y650-R654 HydrophobicContact CE2-CG 3.72Å; Y650-R654 HydrophobicContact CG-CG 4.41Å; Y650-R654 WeakPolarHBondContact O-CB 3.29Å; Y650-R654 PolarHBondContact O-N 3.17Å
655V94Very high93.9Very high54 Ų5458.5 Ų58.533%0.32729%0.287SS..Iπ-helixtrans-109.2-52-172.9-176.10000111.3S651 K659S651-V655 WeakPolarHBondContact O-CA 3.35Å; S651-V655 VanDerWaalsContact O-CB 3.27Å; S651-V655 WeakPolarHBondContact O-CB 3.31Å; S651-V655 PolarHBondContact O-N 3.26Å; V655-K659 WeakPolarHBondContact O-CD 3.38Å; V655-K659 WeakPolarHBondContact O-CG 3.44Å
656W95.4Very high93.2Very high19 Ų1968.2 Ų68.27%0.07232%0.317CS..Iπ-helixtrans-87.4-42.7-169.1-67.4110.2000113.8F635 L636 Q639 S651 V652 K659 L660F635-W656 AromaticContact CE1-CH2 3.81Å; F635-W656 HydrophobicContact CE1-CH2 3.81Å; F635-W656 AromaticContact CE1-CZ3 3.64Å; F635-W656 HydrophobicContact CE1-CZ3 3.64Å; F635-W656 AromaticContact CZ-CH2 3.86Å; F635-W656 HydrophobicContact CZ-CH2 3.86Å; F635-W656 HydrophobicContact CZ-CZ3 4.09Å; L636-W656 HydrophobicContact CD1-CB 3.73Å; L636-W656 HydrophobicContact CD1-CD2 3.45Å; L636-W656 VanDerWaalsContact CD1-CD2 3.45Å; L636-W656 HydrophobicContact CD1-CE3 3.99Å; L636-W656 HydrophobicContact CD1-CG 3.31Å; Q639-W656 HydrophobicContact CB-CH2 4.26Å; Q639-W656 HydrophobicContact CB-CZ2 3.51Å; Q639-W656 HydrophobicContact CG-CH2 3.71Å; Q639-W656 HydrophobicContact CG-CZ2 3.47Å; Q639-W656 VanDerWaalsContact CG-CZ2 3.47Å; S651-W656 PolarHBondContact O-N 3.07Å; S651-W656 VanDerWaalsContact O-N 3.17Å; V652-W656 PolarHBondContact O-N 2.68Å; W656-K659 HydrophobicContact CE3-CD 4.12Å; W656-K659 HydrophobicContact CZ3-CD 4.24Å; W656-K659 CarbonylContact O-C 3.58Å; W656-K659 WeakPolarHBondContact O-CA 3.36Å; W656-K659 WeakPolarHBondContact O-CB 3.12Å; W656-K659 PolarHBondContact O-N 2.91Å; W656-L660 WeakPolarHBondContact O-CG 3.25Å; W656-L660 PolarHBondContact O-N 3.21Å
657L96.1Very high92.7Very high0 Ų066.2 Ų66.20%030%0.298CS..Hα-helixtrans-56.6-44.2-178.9-172.263.9000113.1A544 V652 K659 L660 L661 V677 L681A544-L657 HydrophobicContact CB-CD1 4.4Å; V652-L657 WeakPolarHBondContact O-CB 3.46Å; V652-L657 PolarHBondContact O-N 2.89Å; L657-K659 PolarHBondContact O-N 3.42Å; L657-L660 PolarHBondContact O-N 3.35Å; L657-L661 PolarHBondContact O-N 3.29Å; L657-V677 HydrophobicContact CD1-CG1 3.59Å; L657-V677 HydrophobicContact CD2-CG1 3.77Å; L657-V677 HydrophobicContact CG-CG1 3.77Å; L657-L681 HydrophobicContact CD1-CD2 3.9Å; L657-L681 HydrophobicContact CD2-CB 4.28Å; L657-L681 HydrophobicContact CD2-CD2 3.7Å; L657-L681 HydrophobicContact CG-CD2 4.26Å
658P93.7Very high92.2Very high44 Ų4469 Ų6929%0.28631%0.314SS..Hα-helixtrans-60.7-32.4173.4-22.233.4000113.6L674P658-L674 HydrophobicContact CB-CD1 4.22Å; P658-L674 HydrophobicContact CG-CD1 4.06Å
659K93.8Very high91.6Very high80 Ų8073.2 Ų73.235%0.34834%0.339SS..Hα-helixtrans-76.9-26.4178.4-66.7175.6-179.5175.60112.8F559 L563 V655 W656 L657 L661F559-K659 VanDerWaalsContact CZ-O 3.28Å; F559-K659 WeakPolarHBondContact CZ-O 3.2Å; L563-K659 WeakPolarHBondContact CD1-O 3.27Å; V655-K659 WeakPolarHBondContact O-CD 3.38Å; V655-K659 WeakPolarHBondContact O-CG 3.44Å; W656-K659 HydrophobicContact CE3-CD 4.12Å; W656-K659 HydrophobicContact CZ3-CD 4.24Å; W656-K659 CarbonylContact O-C 3.58Å; W656-K659 WeakPolarHBondContact O-CA 3.36Å; W656-K659 WeakPolarHBondContact O-CB 3.12Å; W656-K659 PolarHBondContact O-N 2.91Å; L657-K659 PolarHBondContact O-N 3.42Å; K659-L661 VanDerWaalsContact C-N 3.29Å
660L95.7Very high91.1Very high5 Ų570.7 Ų70.73%0.02633%0.332CS..Hα-helixtrans-79-12.8177.6-68.3170.9000113A544 N548 F559 L563 L632 L636 W656 L657A544-L660 HydrophobicContact CB-CB 3.53Å; A544-L660 HydrophobicContact CB-CD1 4.31Å; N548-L660 PolarHBondContact ND2-O 3.27Å; F559-L660 WeakPolarHBondContact CE1-O 3.48Å; L563-L660 HydrophobicContact CD1-CD2 4.36Å; L632-L660 HydrophobicContact CD1-CD2 4.02Å; L632-L660 HydrophobicContact CD2-CD2 3.95Å; L632-L660 HydrophobicContact CG-CD2 4.25Å; L636-L660 HydrophobicContact CD2-CD1 4Å; W656-L660 WeakPolarHBondContact O-CG 3.25Å; W656-L660 PolarHBondContact O-N 3.21Å; L657-L660 PolarHBondContact O-N 3.35Å
661L94.2Very high90.8Very high7 Ų767.6 Ų67.64%0.03733%0.329CS..SBendtrans-88.9125.5175.3-65.2178.2000110.2A544 L657 K659 I663 L674 V677A544-L661 HydrophobicContact CB-CD2 4.27Å; L657-L661 PolarHBondContact O-N 3.29Å; K659-L661 VanDerWaalsContact C-N 3.29Å; L661-I663 HydrophobicContact CB-CD1 4.01Å; L661-I663 HydrophobicContact CB-CG1 4.07Å; L661-I663 PolarHBondContact O-N 3.35Å; L661-I663 VanDerWaalsContact O-N 3.08Å; L661-L674 HydrophobicContact CD1-CB 4.3Å; L661-L674 HydrophobicContact CD1-CD1 3.73Å; L661-V677 HydrophobicContact CD1-CB 4.26Å; L661-V677 HydrophobicContact CD1-CG1 4.22Å; L661-V677 HydrophobicContact CD1-CG2 4.08Å; L661-V677 HydrophobicContact CD2-CG1 4.21Å; L661-V677 HydrophobicContact CD2-CG2 3.99Å
662L91.3Very high90.5Very high21 Ų2170.4 Ų70.411%0.1135%0.349CS..  trans-7598.4169.9-177.255.6000108.5N548 S551 E555 F559 R673N548-L662 PolarHBondContact OD1-N 3.35Å; S551-L662 WeakPolarHBondContact OG-CD2 3.26Å; E555-L662 HydrophobicContact CG-CD2 3.88Å; F559-L662 HydrophobicContact CB-CD1 4.45Å; F559-L662 HydrophobicContact CB-CD2 4.49Å; F559-L662 HydrophobicContact CD1-CB 4.1Å; F559-L662 HydrophobicContact CD2-CD1 3.74Å; F559-L662 HydrophobicContact CE1-CB 4Å; F559-L662 HydrophobicContact CE2-CD1 4Å; F559-L662 HydrophobicContact CG-CB 4.4Å; F559-L662 HydrophobicContact CG-CD1 4Å; F559-L662 HydrophobicContact CZ-CB 4.22Å; F559-L662 HydrophobicContact CZ-CD1 4.48Å; L662-R673 PolarHBondContact O-NH1 2.82Å; L662-R673 VanDerWaalsContact O-NH1 3.08Å
663I86.9Confident90.2Very high61 Ų6172.9 Ų72.931%0.31336%0.358SS..  trans-113.6107.2177.2-64.3164000107.5L661 E665 A670L661-I663 HydrophobicContact CB-CD1 4.01Å; L661-I663 HydrophobicContact CB-CG1 4.07Å; L661-I663 PolarHBondContact O-N 3.35Å; L661-I663 VanDerWaalsContact O-N 3.08Å; I663-E665 VanDerWaalsContact CG2-O 3.3Å; I663-E665 WeakPolarHBondContact CG2-O 3.39Å; I663-A670 HydrophobicContact CG1-CB 4.44Å; I663-A670 HydrophobicContact CG2-CB 3.77Å
664K83.2Confident90Very high142 Ų14274.2 Ų74.262%0.61737%0.365SS*.SBendtrans-76.2-41.4179.6-61.3-174.5-175.4-165.50112.2E555E555-K664 VanDerWaalsContact CD-CE 3.5Å; E555-K664 WeakPolarHBondContact OE1-CE 3.27Å; E555-K664 IonicContact OE1-NZ 3.37Å; E555-K664 PolarHBondContact OE1-NZ 2.81Å; E555-K664 WeakPolarHBondContact OE2-CE 3.5Å; E555-K664 IonicContact OE2-NZ 2.9Å; E555-K664 PolarHBondContact OE2-NZ 3.15Å
665E81.8Confident90Very high146 Ų14669.9 Ų69.968%0.68236%0.357SS*.SBendtrans-131.7139.9-177.9-66.7-178.8-177.200110.3I663 N667I663-E665 VanDerWaalsContact CG2-O 3.3Å; I663-E665 WeakPolarHBondContact CG2-O 3.39Å; E665-N667 PolarHBondContact O-N 3.18Å
666R80.6Confident90Very high252 Ų25273.4 Ų73.495%0.95137%0.368SS*.  trans-81.8102.1174.8-67.1-176.3-179.6-177.20.6108.9
667N85.3Confident90Very high65 Ų6572.5 Ų72.535%0.34836%0.364SS..  trans-134.3169.3176.564.219.1000110.6E665 D669 A670 T671E665-N667 PolarHBondContact O-N 3.18Å; N667-D669 PolarHBondContact O-N 3.31Å; N667-D669 WeakPolarHBondContact OD1-CB 3.36Å; N667-D669 PolarHBondContact OD1-N 3.21Å; N667-A670 WeakPolarHBondContact O-CB 3.47Å; N667-A670 PolarHBondContact O-N 3.26Å; N667-A670 VanDerWaalsContact O-N 3.15Å; N667-A670 WeakPolarHBondContact OD1-CB 3.38Å; N667-A670 PolarHBondContact OD1-N 3.03Å; N667-T671 PolarHBondContact O-N 3.17Å
668P85.8Confident90Very high114 Ų11473.3 Ų73.374%0.7437%0.369SS*.Hα-helixtrans-57-30.8178.4-27.236.1000113.8T671 S672P668-T671 PolarHBondContact O-N 2.83Å; P668-S672 PolarHBondContact O-N 3.32Å
669D86Confident90.2Very high112 Ų11275.5 Ų75.560%0.59938%0.379SS*.Hα-helixtrans-65.5-43.8176.2-176.157.5000112N667 T671 S672 R673N667-D669 PolarHBondContact O-N 3.31Å; N667-D669 WeakPolarHBondContact OD1-CB 3.36Å; N667-D669 PolarHBondContact OD1-N 3.21Å; D669-T671 VanDerWaalsContact C-N 3.3Å; D669-T671 PolarHBondContact O-N 3.43Å; D669-S672 WeakPolarHBondContact O-CB 3.21Å; D669-S672 PolarHBondContact O-N 3.31Å; D669-R673 VanDerWaalsContact O-CB 3.32Å; D669-R673 WeakPolarHBondContact O-CB 3.29Å; D669-R673 PolarHBondContact O-N 3.26Å
670A87Confident90.3Very high10 Ų1072.4 Ų72.48%0.08337%0.367CS..Hα-helixtrans-59.4-39.8173.900000112.1I663 N667 L674I663-A670 HydrophobicContact CG1-CB 4.44Å; I663-A670 HydrophobicContact CG2-CB 3.77Å; N667-A670 WeakPolarHBondContact O-CB 3.47Å; N667-A670 PolarHBondContact O-N 3.26Å; N667-A670 VanDerWaalsContact O-N 3.15Å; N667-A670 WeakPolarHBondContact OD1-CB 3.38Å; N667-A670 PolarHBondContact OD1-N 3.03Å; A670-L674 WeakPolarHBondContact O-CB 3.33Å; A670-L674 PolarHBondContact O-N 2.72Å
671T89.4Confident90.4Very high91 Ų9172.2 Ų72.256%0.55837%0.365SS*.Hα-helixtrans-67.1-42.9175.3-57.80000112N667 P668 D669 L674 T675N667-T671 PolarHBondContact O-N 3.17Å; P668-T671 PolarHBondContact O-N 2.83Å; D669-T671 VanDerWaalsContact C-N 3.3Å; D669-T671 PolarHBondContact O-N 3.43Å; T671-L674 PolarHBondContact O-N 2.92Å; T671-T675 WeakPolarHBondContact O-CB 3.39Å; T671-T675 PolarHBondContact O-N 3.04Å; T671-T675 PolarHBondContact O-OG1 3.48Å
672S90.8Very high90.6Very high73 Ų7374.3 Ų74.351%0.5138%0.376SS..Hα-helixtrans-61-46.3175.5179.90000111.3P668 D669 T675 K676P668-S672 PolarHBondContact O-N 3.32Å; D669-S672 WeakPolarHBondContact O-CB 3.21Å; D669-S672 PolarHBondContact O-N 3.31Å; S672-T675 WeakPolarHBondContact O-CB 3.47Å; S672-T675 PolarHBondContact O-N 3.48Å; S672-K676 PolarHBondContact O-N 3.34Å
673R90.9Very high90.9Very high52 Ų5275.3 Ų75.320%0.19638%0.383CS..Hα-helixtrans-60.3-48.7175.7-179.5174.1164.2-137.6-15.4111.6Y547 N548 L662 D669 T675 K676 V677Y547-R673 PolarHBondContact O-NE 3.1Å; Y547-R673 PolarHBondContact O-NH2 2.86Å; N548-R673 PolarHBondContact OD1-NH2 3.38Å; L662-R673 PolarHBondContact O-NH1 2.82Å; L662-R673 VanDerWaalsContact O-NH1 3.08Å; D669-R673 VanDerWaalsContact O-CB 3.32Å; D669-R673 WeakPolarHBondContact O-CB 3.29Å; D669-R673 PolarHBondContact O-N 3.26Å; R673-T675 VanDerWaalsContact C-N 3.28Å; R673-T675 PolarHBondContact O-N 3.04Å; R673-K676 PolarHBondContact O-N 2.83Å; R673-V677 HydrophobicContact CG-CG2 4.3Å; R673-V677 WeakPolarHBondContact O-CB 3.48Å; R673-V677 WeakPolarHBondContact O-CG2 3.46Å; R673-V677 PolarHBondContact O-N 2.95Å
674L92.9Very high91.4Very high47 Ų4772.4 Ų72.425%0.24637%0.369CS..Hα-helixtrans-57.9-41.7175.6177.161.9000111.7P658 L661 A670 T671 V677 T678P658-L674 HydrophobicContact CB-CD1 4.22Å; P658-L674 HydrophobicContact CG-CD1 4.06Å; L661-L674 HydrophobicContact CD1-CB 4.3Å; L661-L674 HydrophobicContact CD1-CD1 3.73Å; A670-L674 WeakPolarHBondContact O-CB 3.33Å; A670-L674 PolarHBondContact O-N 2.72Å; T671-L674 PolarHBondContact O-N 2.92Å; L674-V677 PolarHBondContact O-N 2.74Å; L674-T678 VanDerWaalsContact O-CB 3.28Å; L674-T678 WeakPolarHBondContact O-CB 3.23Å; L674-T678 PolarHBondContact O-N 2.96Å; L674-T678 PolarHBondContact O-OG1 3.36Å
675T94.4Very high92.1Very high73 Ų7365.7 Ų65.745%0.44834%0.339SS..Hα-helixtrans-62.6-47.5176.6-56.50000111.2T671 S672 R673 T678 N679T671-T675 WeakPolarHBondContact O-CB 3.39Å; T671-T675 PolarHBondContact O-N 3.04Å; T671-T675 PolarHBondContact O-OG1 3.48Å; S672-T675 WeakPolarHBondContact O-CB 3.47Å; S672-T675 PolarHBondContact O-N 3.48Å; R673-T675 VanDerWaalsContact C-N 3.28Å; R673-T675 PolarHBondContact O-N 3.04Å; T675-T678 PolarHBondContact O-N 3.47Å; T675-N679 WeakPolarHBondContact O-CB 3.4Å; T675-N679 VanDerWaalsContact O-CG 3.31Å; T675-N679 PolarHBondContact O-N 3.08Å
676K94.2Very high92.7Very high127 Ų12761.1 Ų61.155%0.55232%0.32SS*.Hα-helixtrans-62.1-44.7178.1-174177.2174.8-173.70112Y547 S672 R673 N679 T680Y547-K676 HydrophobicContact CE1-CB 4.48Å; Y547-K676 HydrophobicContact CE1-CD 3.73Å; Y547-K676 HydrophobicContact CE1-CG 3.82Å; Y547-K676 WeakPolarHBondContact OH-CE 3.39Å; S672-K676 PolarHBondContact O-N 3.34Å; R673-K676 PolarHBondContact O-N 2.83Å; K676-N679 PolarHBondContact O-N 3.22Å; K676-T680 WeakPolarHBondContact O-CB 3.23Å; K676-T680 PolarHBondContact O-N 3.4Å; K676-T680 PolarHBondContact O-OG1 3.44Å
677V95.5Very high93.5Very high0 Ų050 Ų500%028%0.279CS..Hα-helixtrans-60.3-46.6175.9172.20000110.7I543 Y547 L657 L661 R673 L674 T680 L681I543-V677 HydrophobicContact CG2-CG1 4.14Å; Y547-V677 VanDerWaalsContact CB-CG2 3.41Å; Y547-V677 HydrophobicContact CD1-CG2 3.56Å; Y547-V677 HydrophobicContact CD2-CB 4.46Å; Y547-V677 HydrophobicContact CD2-CG2 3.66Å; Y547-V677 HydrophobicContact CE1-CG2 4.19Å; Y547-V677 HydrophobicContact CE2-CG2 4.26Å; Y547-V677 HydrophobicContact CG-CB 4.46Å; Y547-V677 HydrophobicContact CG-CG2 3.26Å; L657-V677 HydrophobicContact CD1-CG1 3.59Å; L657-V677 HydrophobicContact CD2-CG1 3.77Å; L657-V677 HydrophobicContact CG-CG1 3.77Å; L661-V677 HydrophobicContact CD1-CB 4.26Å; L661-V677 HydrophobicContact CD1-CG1 4.22Å; L661-V677 HydrophobicContact CD1-CG2 4.08Å; L661-V677 HydrophobicContact CD2-CG1 4.21Å; L661-V677 HydrophobicContact CD2-CG2 3.99Å; R673-V677 HydrophobicContact CG-CG2 4.3Å; R673-V677 WeakPolarHBondContact O-CB 3.48Å; R673-V677 WeakPolarHBondContact O-CG2 3.46Å; R673-V677 PolarHBondContact O-N 2.95Å; L674-V677 PolarHBondContact O-N 2.74Å; V677-T680 PolarHBondContact O-N 3Å; V677-L681 PolarHBondContact O-N 2.52Å
678T97.1Very high94Very high17 Ų1747.1 Ų47.110%0.10426%0.264CS..Hα-helixtrans-61.4-48.4179.1-57.80000111L653 L674 T675 T680 L681 I682L653-T678 HydrophobicContact CD2-CG2 4.2Å; L674-T678 VanDerWaalsContact O-CB 3.28Å; L674-T678 WeakPolarHBondContact O-CB 3.23Å; L674-T678 PolarHBondContact O-N 2.96Å; L674-T678 PolarHBondContact O-OG1 3.36Å; T675-T678 PolarHBondContact O-N 3.47Å; T678-T680 VanDerWaalsContact C-N 3.32Å; T678-T680 PolarHBondContact O-N 3.01Å; T678-L681 PolarHBondContact O-N 3.29Å; T678-I682 HydrophobicContact CG2-CD1 3.94Å; T678-I682 VanDerWaalsContact O-CG1 3.31Å; T678-I682 WeakPolarHBondContact O-CG1 3.5Å; T678-I682 PolarHBondContact O-N 3Å
679N96.7Very high94.4Very high90 Ų9044.1 Ų44.148%0.48124%0.241SC..Hα-helixtrans-62.7-38.9177.4-70-15.5000112.1T675 K676 I682 T683T675-N679 WeakPolarHBondContact O-CB 3.4Å; T675-N679 VanDerWaalsContact O-CG 3.31Å; T675-N679 PolarHBondContact O-N 3.08Å; K676-N679 PolarHBondContact O-N 3.22Å; N679-I682 PolarHBondContact O-N 3.35Å; N679-T683 PolarHBondContact O-N 3.04Å; N679-T683 PolarHBondContact O-OG1 3.16Å
680T97.1Very high94.8Very high16 Ų1646 Ų4610%0.09824%0.244CC..Hα-helixtrans-62.2-45.6175.2-550000110.9I500 L504 I543 Y547 K676 V677 T678 T683 F684I500-T680 HydrophobicContact CG2-CG2 4.24Å; L504-T680 HydrophobicContact CD1-CG2 3.94Å; I543-T680 HydrophobicContact CD1-CG2 4.4Å; I543-T680 HydrophobicContact CG2-CG2 4.35Å; Y547-T680 HydrophobicContact CE2-CG2 4.1Å; Y547-T680 PolarHBondContact OH-OG1 2.94Å; K676-T680 WeakPolarHBondContact O-CB 3.23Å; K676-T680 PolarHBondContact O-N 3.4Å; K676-T680 PolarHBondContact O-OG1 3.44Å; V677-T680 PolarHBondContact O-N 3Å; T678-T680 VanDerWaalsContact C-N 3.32Å; T678-T680 PolarHBondContact O-N 3.01Å; T680-T683 PolarHBondContact O-N 2.93Å; T680-F684 VanDerWaalsContact O-CB 3.23Å; T680-F684 WeakPolarHBondContact O-CB 3.37Å; T680-F684 PolarHBondContact O-N 3.29Å
681L97.7Very high95.2Very high0 Ų045.6 Ų45.60%024%0.241CC..Hα-helixtrans-67.7-38.3179.6-177.658.6000112.5A539 I543 V652 L653 L657 V677 T678 F684 I685A539-L681 HydrophobicContact CB-CD1 4.17Å; I543-L681 HydrophobicContact CD1-CB 4.18Å; I543-L681 HydrophobicContact CD1-CD1 3.66Å; I543-L681 HydrophobicContact CG2-CB 4.49Å; V652-L681 HydrophobicContact CG1-CD2 3.78Å; L653-L681 HydrophobicContact CD2-CB 4.25Å; L653-L681 HydrophobicContact CD2-CD2 3.92Å; L653-L681 HydrophobicContact CD2-CG 4.01Å; L657-L681 HydrophobicContact CD1-CD2 3.9Å; L657-L681 HydrophobicContact CD2-CB 4.28Å; L657-L681 HydrophobicContact CD2-CD2 3.7Å; L657-L681 HydrophobicContact CG-CD2 4.26Å; V677-L681 PolarHBondContact O-N 2.52Å; T678-L681 PolarHBondContact O-N 3.29Å; L681-F684 PolarHBondContact O-N 2.89Å; L681-I685 HydrophobicContact CD1-CD1 3.85Å; L681-I685 HydrophobicContact CD1-CG1 4.01Å; L681-I685 HydrophobicContact CG-CD1 3.81Å; L681-I685 HydrophobicContact CG-CG1 4.4Å; L681-I685 WeakPolarHBondContact O-CB 3.28Å; L681-I685 VanDerWaalsContact O-CG1 3.23Å; L681-I685 WeakPolarHBondContact O-CG1 3.41Å; L681-I685 PolarHBondContact O-N 2.93Å
682I97.8Very high95.3Very high51 Ų5147 Ų4726%0.26224%0.241SC..Hα-helixtrans-58.1-55.8173.5-72.5168.2000110L653 T678 N679 F684 I685 D686L653-I682 HydrophobicContact CD1-CD1 4.47Å; L653-I682 HydrophobicContact CD1-CG1 3.89Å; L653-I682 HydrophobicContact CD2-CG1 3.76Å; T678-I682 HydrophobicContact CG2-CD1 3.94Å; T678-I682 VanDerWaalsContact O-CG1 3.31Å; T678-I682 WeakPolarHBondContact O-CG1 3.5Å; T678-I682 PolarHBondContact O-N 3Å; N679-I682 PolarHBondContact O-N 3.35Å; I682-F684 VanDerWaalsContact C-N 3.27Å; I682-F684 PolarHBondContact O-N 3.29Å; I682-I685 PolarHBondContact O-N 3.19Å; I682-D686 WeakPolarHBondContact CG2-OD2 3.31Å; I682-D686 VanDerWaalsContact O-CG 3.27Å; I682-D686 PolarHBondContact O-N 3.32Å
683T97Very high95.3Very high43 Ų4344.1 Ų44.126%0.26422%0.22SC..Hα-helixtrans-59.3-39.6179.8-58.40000112L499 I500 N679 T680 L687L499-T683 HydrophobicContact CB-CG2 3.66Å; L499-T683 HydrophobicContact CD1-CG2 3.75Å; L499-T683 HydrophobicContact CG-CG2 4.37Å; I500-T683 HydrophobicContact CG2-CG2 3.98Å; N679-T683 PolarHBondContact O-N 3.04Å; N679-T683 PolarHBondContact O-OG1 3.16Å; T680-T683 PolarHBondContact O-N 2.93Å; T683-L687 WeakPolarHBondContact O-CB 3.47Å; T683-L687 PolarHBondContact O-N 2.95Å
684F97.7Very high95.1Very high0 Ų045.1 Ų45.10%024%0.235CC..Hα-helixtrans-63.5-46.3177.1-179.8-81.4000112.3I500 L504 L507 A508 L511 A539 I543 T680 L681 I682 L687 C688I500-F684 HydrophobicContact CD1-CD2 3.99Å; L504-F684 HydrophobicContact CB-CD2 4.1Å; L504-F684 HydrophobicContact CB-CE2 4.19Å; L504-F684 HydrophobicContact CD2-CD2 4.35Å; L504-F684 HydrophobicContact CD2-CE2 4.13Å; L504-F684 WeakPolarHBondContact O-CE2 3.22Å; L507-F684 HydrophobicContact CB-CE2 4.27Å; L507-F684 HydrophobicContact CB-CZ 4.33Å; L507-F684 HydrophobicContact CD2-CE2 4.32Å; L507-F684 HydrophobicContact CD2-CZ 4.06Å; L507-F684 HydrophobicContact CG-CE2 4.34Å; L507-F684 HydrophobicContact CG-CZ 3.98Å; A508-F684 HydrophobicContact CB-CD2 4.27Å; A508-F684 HydrophobicContact CB-CE2 3.83Å; A508-F684 HydrophobicContact CB-CZ 3.99Å; L511-F684 HydrophobicContact CD1-CE1 3.82Å; L511-F684 HydrophobicContact CD1-CZ 3.79Å; A539-F684 HydrophobicContact CB-CD1 3.94Å; A539-F684 HydrophobicContact CB-CE1 3.53Å; A539-F684 HydrophobicContact CB-CZ 4.39Å; I543-F684 HydrophobicContact CD1-CB 3.72Å; I543-F684 HydrophobicContact CD1-CD1 4.18Å; I543-F684 HydrophobicContact CD1-CD2 3.98Å; I543-F684 HydrophobicContact CD1-CG 3.7Å; T680-F684 VanDerWaalsContact O-CB 3.23Å; T680-F684 WeakPolarHBondContact O-CB 3.37Å; T680-F684 PolarHBondContact O-N 3.29Å; L681-F684 PolarHBondContact O-N 2.89Å; I682-F684 VanDerWaalsContact C-N 3.27Å; I682-F684 PolarHBondContact O-N 3.29Å; F684-L687 WeakPolarHBondContact O-CB 3.31Å; F684-L687 PolarHBondContact O-N 2.74Å; F684-C688 WeakPolarHBondContact CE1-SG 3.14Å; F684-C688 PolarHBondContact O-N 3.02Å; F684-C688 PolarHBondContact O-SG 3.48Å
685I97.6Very high94.5Very high0 Ų044.9 Ų44.90%023%0.234CC..Hα-helixtrans-64.4-44.8178.3-69165.8000109.9L536 R649 L681 I682 L687 C688 D689L536-I685 HydrophobicContact CD2-CD1 3.57Å; L536-I685 HydrophobicContact CD2-CG1 3.89Å; R649-I685 HydrophobicContact CG-CD1 4.48Å; L681-I685 HydrophobicContact CD1-CD1 3.85Å; L681-I685 HydrophobicContact CD1-CG1 4.01Å; L681-I685 HydrophobicContact CG-CD1 3.81Å; L681-I685 HydrophobicContact CG-CG1 4.4Å; L681-I685 WeakPolarHBondContact O-CB 3.28Å; L681-I685 VanDerWaalsContact O-CG1 3.23Å; L681-I685 WeakPolarHBondContact O-CG1 3.41Å; L681-I685 PolarHBondContact O-N 2.93Å; I682-I685 PolarHBondContact O-N 3.19Å; I685-L687 VanDerWaalsContact C-N 3.26Å; I685-L687 PolarHBondContact O-N 2.93Å; I685-C688 WeakPolarHBondContact O-CB 3.43Å; I685-C688 PolarHBondContact O-N 3.31Å; I685-C688 VanDerWaalsContact O-N 3.08Å; I685-D689 PolarHBondContact O-N 3.47Å
686D95.9Very high93.7Very high51 Ų5142.8 Ų42.827%0.27322%0.221SC..Hα-helixtrans-62.4-35.4177.9-67.5-24.6000111.8R649 I682 K690R649-D686 IonicContact CZ-OD1 3.49Å; R649-D686 IonicContact NH1-OD1 3.26Å; R649-D686 PolarHBondContact NH1-OD1 3.38Å; R649-D686 IonicContact NH2-OD1 3.89Å; R649-D686 PolarHBondContact NH2-OD1 3.42Å; R649-D686 IonicContact NH2-OD2 2.83Å; R649-D686 PolarHBondContact NH2-OD2 2.82Å; I682-D686 WeakPolarHBondContact CG2-OD2 3.31Å; I682-D686 VanDerWaalsContact O-CG 3.27Å; I682-D686 PolarHBondContact O-N 3.32Å; D686-K690 WeakPolarHBondContact O-CB 3.43Å; D686-K690 WeakPolarHBondContact O-CD 3.49Å; D686-K690 WeakPolarHBondContact O-CG 3.35Å; D686-K690 PolarHBondContact O-N 3.23Å; D686-K690 VanDerWaalsContact O-N 3.15Å
687L96Very high92.5Very high18 Ų1843.2 Ų43.29%0.09424%0.24CC..Hα-helixtrans-64.7-43.8172.4178.965.5000111.4P495 I500 Y505 A508 T683 F684 I685 D689 K690 I691P495-L687 HydrophobicContact CB-CD1 3.98Å; P495-L687 HydrophobicContact CG-CD1 3.47Å; P495-L687 VanDerWaalsContact CG-CD1 3.47Å; I500-L687 HydrophobicContact CD1-CD2 3.55Å; I500-L687 HydrophobicContact CG1-CD2 4.36Å; Y505-L687 HydrophobicContact CD2-CD2 3.77Å; Y505-L687 HydrophobicContact CE2-CD2 4.33Å; A508-L687 HydrophobicContact CB-CD2 3.7Å; A508-L687 HydrophobicContact CB-CG 4.14Å; T683-L687 WeakPolarHBondContact O-CB 3.47Å; T683-L687 PolarHBondContact O-N 2.95Å; F684-L687 WeakPolarHBondContact O-CB 3.31Å; F684-L687 PolarHBondContact O-N 2.74Å; I685-L687 VanDerWaalsContact C-N 3.26Å; I685-L687 PolarHBondContact O-N 2.93Å; L687-D689 VanDerWaalsContact C-N 3.33Å; L687-D689 PolarHBondContact O-N 2.9Å; L687-K690 PolarHBondContact O-N 2.92Å; L687-K690 VanDerWaalsContact O-N 3.16Å; L687-I691 HydrophobicContact CD1-CD1 4.35Å; L687-I691 HydrophobicContact CD1-CG1 4.43Å; L687-I691 HydrophobicContact CG-CD1 4.08Å; L687-I691 WeakPolarHBondContact O-CG1 3.28Å; L687-I691 PolarHBondContact O-N 3.02Å
688C96.3Very high91.3Very high4 Ų445.4 Ų45.43%0.02726%0.255CS..Hα-helixtrans-62.3-41177.9-64.10000112.1S512 F529 F684 I685 K690S512-C688 VanDerWaalsContact OG-CA 3.25Å; S512-C688 WeakPolarHBondContact OG-CA 3.12Å; S512-C688 PolarHBondContact OG-O 3.36Å; F529-C688 HydrophobicContact CB-CB 4.3Å; F529-C688 HydrophobicContact CD1-CB 3.39Å; F529-C688 HydrophobicContact CD2-CB 4.42Å; F529-C688 HydrophobicContact CE1-CB 3.76Å; F529-C688 HydrophobicContact CG-CB 3.77Å; F529-C688 HydrophobicContact CZ-CB 4.41Å; F684-C688 WeakPolarHBondContact CE1-SG 3.14Å; F684-C688 PolarHBondContact O-N 3.02Å; F684-C688 PolarHBondContact O-SG 3.48Å; I685-C688 WeakPolarHBondContact O-CB 3.43Å; I685-C688 PolarHBondContact O-N 3.31Å; I685-C688 VanDerWaalsContact O-N 3.08Å; C688-K690 VanDerWaalsContact C-N 3.25Å; C688-K690 PolarHBondContact O-N 3.04Å
689D95.2Very high89.9Confident51 Ų5145.7 Ų45.727%0.27326%0.258SS..Hα-helixtrans-67.2-25.3176.6-76.5-25.1000112.4F529 S530 I685 L687F529-D689 WeakPolarHBondContact CA-OD1 3.31Å; F529-D689 VanDerWaalsContact CB-OD1 3.27Å; F529-D689 WeakPolarHBondContact CB-OD1 3.41Å; F529-D689 PolarHBondContact N-OD1 3.45Å; S530-D689 WeakPolarHBondContact CB-OD2 3.38Å; S530-D689 PolarHBondContact N-OD1 3.38Å; S530-D689 PolarHBondContact OG-OD2 3.41Å; I685-D689 PolarHBondContact O-N 3.47Å; L687-D689 VanDerWaalsContact C-N 3.33Å; L687-D689 PolarHBondContact O-N 2.9Å
690K93.8Very high88.3Confident151 Ų15147.3 Ų47.366%0.65727%0.267SS*.Hα-helixtrans-87.1-21-179.2-77.5172.8-175.3179.20115.2D686 L687 C688 E692D686-K690 WeakPolarHBondContact O-CB 3.43Å; D686-K690 WeakPolarHBondContact O-CD 3.49Å; D686-K690 WeakPolarHBondContact O-CG 3.35Å; D686-K690 PolarHBondContact O-N 3.23Å; D686-K690 VanDerWaalsContact O-N 3.15Å; L687-K690 PolarHBondContact O-N 2.92Å; L687-K690 VanDerWaalsContact O-N 3.16Å; C688-K690 VanDerWaalsContact C-N 3.25Å; C688-K690 PolarHBondContact O-N 3.04Å; K690-E692 PolarHBondContact O-N 3.4Å
691I94.2Very high87.3Confident3 Ų350.4 Ų50.42%0.01529%0.289CS..  trans-74120.4-177.8-71.9162.2000108.5F491 P495 A508 V509 Q516 L687F491-I691 HydrophobicContact CD1-CG2 4.14Å; F491-I691 HydrophobicContact CE1-CG2 3.94Å; P495-I691 HydrophobicContact CG-CD1 4.44Å; P495-I691 HydrophobicContact CG-CG1 3.74Å; A508-I691 HydrophobicContact CB-CD1 4.39Å; V509-I691 HydrophobicContact CG2-CD1 3.86Å; Q516-I691 PolarHBondContact NE2-O 2.9Å; L687-I691 HydrophobicContact CD1-CD1 4.35Å; L687-I691 HydrophobicContact CD1-CG1 4.43Å; L687-I691 HydrophobicContact CG-CD1 4.08Å; L687-I691 WeakPolarHBondContact O-CG1 3.28Å; L687-I691 PolarHBondContact O-N 3.02Å
692E91.8Very high86.5Confident120 Ų12051.7 Ų51.756%0.56130%0.295SS*.  trans-113.4133.7-179.4-69.2-179.6179.700111.5V492 K690V492-E692 HydrophobicContact CB-CB 4.1Å; V492-E692 HydrophobicContact CG2-CB 3.94Å; V492-E692 PolarHBondContact N-O 2.76Å; K690-E692 PolarHBondContact O-N 3.4Å
693I90.5Very high86.1Confident13 Ų1350.3 Ų50.37%0.06729%0.287CS..BIsolated β-bridgetrans-121.9127.8177.2-61.5155.6000108.2L489 N490 F491 F513 Q516 L695L489-I693 WeakPolarHBondContact O-CG2 3.48Å; N490-I693 HydrophobicContact CB-CG2 4.49Å; N490-I693 WeakPolarHBondContact O-CA 3.5Å; F491-I693 HydrophobicContact CD1-CD1 4.33Å; F491-I693 HydrophobicContact CD1-CG1 3.62Å; F491-I693 HydrophobicContact CE1-CD1 3.77Å; F491-I693 HydrophobicContact CE1-CG1 3.59Å; F491-I693 HydrophobicContact CG-CG1 4.4Å; F491-I693 HydrophobicContact CZ-CD1 4.28Å; F491-I693 HydrophobicContact CZ-CG1 4.34Å; F513-I693 VanDerWaalsContact CA-CD1 3.48Å; F513-I693 HydrophobicContact CB-CD1 3.88Å; F513-I693 HydrophobicContact CD2-CD1 3.45Å; F513-I693 VanDerWaalsContact CD2-CD1 3.45Å; F513-I693 HydrophobicContact CD2-CG1 4.42Å; F513-I693 HydrophobicContact CE2-CD1 4.29Å; F513-I693 HydrophobicContact CG-CD1 4Å; Q516-I693 HydrophobicContact CB-CD1 4.43Å; Q516-I693 PolarHBondContact OE1-O 3.43Å; I693-L695 HydrophobicContact CG2-CD2 4.28Å; I693-L695 PolarHBondContact O-N 2.92Å
694S88.7Confident85.7Confident73 Ų7350.5 Ų50.551%0.5129%0.29SS..  trans-75.894.4173.1-174.50000109.3N490N490-S694 WeakPolarHBondContact CB-O 3.18Å; N490-S694 PolarHBondContact ND2-O 3.45Å; N490-S694 VanDerWaalsContact ND2-O 3.17Å; N490-S694 PolarHBondContact O-N 2.91Å
695L80.2Confident85.2Confident42 Ų4253.7 Ų53.722%0.2231%0.306CS..  trans-69134.2177.8-66.3173.9000110Q516 K519 I693Q516-L695 HydrophobicContact CB-CD1 4.41Å; Q516-L695 VanDerWaalsContact O-CD1 3.28Å; Q516-L695 WeakPolarHBondContact O-CD1 3.46Å; K519-L695 HydrophobicContact CB-CD1 4.07Å; K519-L695 HydrophobicContact CD-CD1 4.1Å; I693-L695 HydrophobicContact CG2-CD2 4.28Å; I693-L695 PolarHBondContact O-N 2.92Å
696P76.8Confident84.7Confident28 Ų2856.8 Ų56.818%0.18232%0.32CS..  trans-62.7145.1172.726.9-33000110.4S698 F702P696-S698 VanDerWaalsContact C-N 3.27Å; P696-S698 PolarHBondContact O-N 3.31Å; P696-F702 HydrophobicContact CB-CE2 3.61Å; P696-F702 HydrophobicContact CB-CZ 3.76Å; P696-F702 HydrophobicContact CG-CD2 4.43Å; P696-F702 HydrophobicContact CG-CE2 3.3Å; P696-F702 HydrophobicContact CG-CZ 3.58Å
697S68.3Low84Confident137 Ų13760.1 Ų60.196%0.95833%0.334SS*.SBendtrans-63.6-26.5-17551.80000114.6
698S70.3Confident83.3Confident45 Ų4560.5 Ų60.532%0.31534%0.336SS..  trans-140.4142171.5166.80000110.6P696 D700P696-S698 VanDerWaalsContact C-N 3.27Å; P696-S698 PolarHBondContact O-N 3.31Å; S698-D700 VanDerWaalsContact C-N 3.33Å; S698-D700 WeakPolarHBondContact OG-CB 3.42Å; S698-D700 VanDerWaalsContact OG-CG 3.25Å; S698-D700 PolarHBondContact OG-N 2.89Å; S698-D700 PolarHBondContact OG-OD2 2.84Å
699S68.2Low81.7Confident24 Ų2470.3 Ų70.317%0.16838%0.381CS..SBendtrans-82.4-10.6173.482.90000113.9K419 S701 F702 Y703K419-S699 PolarHBondContact NZ-OG 2.85Å; K419-S699 VanDerWaalsContact NZ-OG 3.08Å; S699-S701 PolarHBondContact O-N 2.89Å; S699-F702 PolarHBondContact O-N 3.49Å; S699-Y703 WeakPolarHBondContact O-CE1 3.26Å; S699-Y703 PolarHBondContact OG-OH 2.75Å
700D63.6Low79.8Confident124 Ų12470.5 Ų70.566%0.66339%0.387SS*.THydrogen-bonded Turntrans-68.5-21.4-174.1-55-33.9000112.4S698 F702S698-D700 VanDerWaalsContact C-N 3.33Å; S698-D700 WeakPolarHBondContact OG-CB 3.42Å; S698-D700 VanDerWaalsContact OG-CG 3.25Å; S698-D700 PolarHBondContact OG-N 2.89Å; S698-D700 PolarHBondContact OG-OD2 2.84Å; D700-F702 PolarHBondContact O-N 2.81Å
701S75.2Confident77.7Confident81 Ų8165.3 Ų65.357%0.56637%0.366SS*.THydrogen-bonded Turntrans-72-15.4174.364.40000113.4S699S699-S701 PolarHBondContact O-N 2.89Å
702F82.2Confident75.4Confident27 Ų2772.2 Ų72.212%0.11839%0.393CS..SBendtrans-98.2-17.5-173.6-62-78000114.2L423 P468 P696 S699 D700L423-F702 HydrophobicContact CD2-CD1 3.7Å; L423-F702 HydrophobicContact CD2-CD2 4.22Å; L423-F702 HydrophobicContact CD2-CE1 3.84Å; L423-F702 HydrophobicContact CD2-CE2 4.36Å; L423-F702 HydrophobicContact CD2-CG 3.9Å; L423-F702 HydrophobicContact CD2-CZ 4.18Å; P468-F702 VanDerWaalsContact CD-O 3.29Å; P468-F702 WeakPolarHBondContact CD-O 3.33Å; P696-F702 HydrophobicContact CB-CE2 3.61Å; P696-F702 HydrophobicContact CB-CZ 3.76Å; P696-F702 HydrophobicContact CG-CD2 4.43Å; P696-F702 HydrophobicContact CG-CE2 3.3Å; P696-F702 HydrophobicContact CG-CZ 3.58Å; S699-F702 PolarHBondContact O-N 3.49Å; D700-F702 PolarHBondContact O-N 2.81Å
703Y88.6Confident72.8Confident22 Ų2272.5 Ų72.59%0.08640%0.403CS..  trans-166.3156.4178.864.1-75.2000112K419 L422 F465 R466 S699 I705K419-Y703 VanDerWaalsContact NZ-CZ 3.25Å; K419-Y703 PolarHBondContact NZ-OH 3.22Å; L422-Y703 HydrophobicContact CD2-CD1 3.44Å; L422-Y703 VanDerWaalsContact CD2-CD1 3.44Å; L422-Y703 HydrophobicContact CD2-CE1 3.67Å; L422-Y703 HydrophobicContact CD2-CG 4.25Å; F465-Y703 AromaticContact CD1-CD2 3.44Å; F465-Y703 HydrophobicContact CD1-CD2 3.44Å; F465-Y703 VanDerWaalsContact CD1-CD2 3.44Å; F465-Y703 AromaticContact CD1-CE2 3.89Å; F465-Y703 HydrophobicContact CD1-CE2 3.89Å; F465-Y703 AromaticContact CD1-CG 3.97Å; F465-Y703 HydrophobicContact CD1-CG 3.97Å; F465-Y703 AromaticContact CE1-CD2 3.49Å; F465-Y703 HydrophobicContact CE1-CD2 3.49Å; F465-Y703 VanDerWaalsContact CE1-CD2 3.49Å; F465-Y703 AromaticContact CE1-CE2 3.4Å; F465-Y703 HydrophobicContact CE1-CE2 3.4Å; F465-Y703 HydrophobicContact CE1-CG 4.22Å; F465-Y703 HydrophobicContact CG-CD2 4.15Å; F465-Y703 HydrophobicContact CZ-CD2 4.23Å; F465-Y703 AromaticContact CZ-CE2 3.88Å; F465-Y703 HydrophobicContact CZ-CE2 3.88Å; R466-Y703 CarbonylContact O-C 3.5Å; R466-Y703 WeakPolarHBondContact O-CA 3.2Å; R466-Y703 VanDerWaalsContact O-CB 3.3Å; R466-Y703 WeakPolarHBondContact O-CB 3.44Å; S699-Y703 WeakPolarHBondContact O-CE1 3.26Å; S699-Y703 PolarHBondContact OG-OH 2.75Å; Y703-I705 HydrophobicContact CD2-CD1 4.42Å; Y703-I705 HydrophobicContact CD2-CG1 3.82Å; Y703-I705 HydrophobicContact CE2-CD1 3.68Å; Y703-I705 HydrophobicContact CE2-CG1 3.59Å
704S88.8Confident70.1Confident47 Ų4776.4 Ų76.433%0.32943%0.429SS..EExtended strand (participates in β ladder)trans-115.9147.9165.362.40000110.9F465 R466 H706F465-S704 WeakPolarHBondContact CA-O 3.41Å; R466-S704 PolarHBondContact N-O 2.93Å; R466-S704 PolarHBondContact O-N 2.96Å; S704-H706 PolarHBondContact OG-NE2 2.85Å
705I87Confident67.3Low66 Ų6682.5 Ų82.534%0.33845%0.446SS..EExtended strand (participates in β ladder)trans-107130.4-177.6-57.3170000108.6V463 F465 Y703V463-I705 HydrophobicContact CB-CG2 4Å; V463-I705 HydrophobicContact CG1-CG2 4.33Å; V463-I705 HydrophobicContact CG2-CG2 4.12Å; F465-I705 HydrophobicContact CD2-CG1 4.39Å; F465-I705 HydrophobicContact CE2-CD1 4.41Å; F465-I705 HydrophobicContact CE2-CG1 4.08Å; F465-I705 HydrophobicContact CZ-CD1 4.34Å; F465-I705 HydrophobicContact CZ-CG1 4.29Å; Y703-I705 HydrophobicContact CD2-CD1 4.42Å; Y703-I705 HydrophobicContact CD2-CG1 3.82Å; Y703-I705 HydrophobicContact CE2-CD1 3.68Å; Y703-I705 HydrophobicContact CE2-CG1 3.59Å
706H87.2Confident64.9Low65 Ų6586.4 Ų86.430%0.30147%0.472SS..EExtended strand (participates in β ladder)trans-125.3128.4176.9-62.4-99.2000109.1M464 S704M464-H706 HydrophobicContact CB-CB 4.29Å; M464-H706 HydrophobicContact CE-CB 3.51Å; M464-H706 PolarHBondContact N-O 3.25Å; M464-H706 PolarHBondContact O-N 3.25Å; S704-H706 PolarHBondContact OG-NE2 2.85Å
707E82.2Confident62.7Low122 Ų12291 Ų9157%0.5750%0.5SS*.EExtended strand (participates in β ladder)trans-70.5144.8170.5-67.2-157.1172.900110.2K461K461-E707 IonicContact NZ-OE1 3.35Å; K461-E707 PolarHBondContact NZ-OE1 3.02Å; K461-E707 IonicContact NZ-OE2 3.33Å; K461-E707 PolarHBondContact NZ-OE2 3.31Å
708L79.5Confident60.7Low26 Ų2689.6 Ų89.614%0.13649%0.487CS..  trans-77.4131.6175.8-60.1173.7000109.5Q91 Y455 L462 M464 S710 N711Q91-L708 HydrophobicContact CG-CD1 4.23Å; Y455-L708 HydrophobicContact CD1-CD1 4.32Å; Y455-L708 HydrophobicContact CD1-CD2 3.99Å; Y455-L708 HydrophobicContact CE1-CD2 3.75Å; L462-L708 HydrophobicContact CB-CD1 4.22Å; L462-L708 HydrophobicContact CD2-CD1 4.1Å; L462-L708 HydrophobicContact CG-CD1 3.98Å; L462-L708 WeakPolarHBondContact O-CD1 3.4Å; M464-L708 HydrophobicContact CB-CD2 4.04Å; L708-S710 PolarHBondContact O-N 3.44Å; L708-N711 PolarHBondContact O-N 3.13Å
709E63.1Low58.6Low209 Ų20993.9 Ų93.998%0.97751%0.511SS*.THydrogen-bonded Turntrans-54.2-19.9178.8-66.7179.9168.800113.9
710S56.8Low56.7Low55 Ų5598.9 Ų98.939%0.38554%0.535SS..THydrogen-bonded Turntrans-129.872.5178.251.50000111.4L708 Y712L708-S710 PolarHBondContact O-N 3.44Å; S710-Y712 PolarHBondContact O-N 2.9Å
711N47.7Very low55Low43 Ų4398.2 Ų98.223%0.2354%0.537CS..  trans-63.3100.4145.6-75.3-41.3000105.6L708 V713L708-N711 PolarHBondContact O-N 3.13Å; N711-V713 VanDerWaalsContact C-N 3.3Å; N711-V713 PolarHBondContact O-N 3.27Å
712Y46.4Very low52.7Low148 Ų148101.1 Ų101.158%0.5855%0.546SS*.  trans-55.998174.9-93.5-97.3000107.6F95 S710 P714F95-Y712 VanDerWaalsContact CE1-O 3.3Å; F95-Y712 WeakPolarHBondContact CE1-O 3.31Å; F95-Y712 VanDerWaalsContact CZ-O 3.24Å; F95-Y712 WeakPolarHBondContact CZ-O 3.19Å; S710-Y712 PolarHBondContact O-N 2.9Å; Y712-P714 VanDerWaalsContact O-CD 3.3Å; Y712-P714 WeakPolarHBondContact O-CD 3.49Å; Y712-P714 VanDerWaalsContact O-N 3.13Å
713V37.4Very low50.1Low125 Ų125107.8 Ų107.876%0.75858%0.583SS**  trans-59.3118163.2-177.30000104.2N711 K715N711-V713 VanDerWaalsContact C-N 3.3Å; N711-V713 PolarHBondContact O-N 3.27Å; V713-K715 PolarHBondContact O-N 3.36Å
714P34.8Very low47.3Very low95 Ų95111.1 Ų111.162%0.61761%0.609SS**  trans-53.9121.4172.9-15.927.4000105.3Y712 T716Y712-P714 VanDerWaalsContact O-CD 3.3Å; Y712-P714 WeakPolarHBondContact O-CD 3.49Å; Y712-P714 VanDerWaalsContact O-N 3.13Å; P714-T716 PolarHBondContact O-N 2.95Å
715K30.2Very low44.5Very low201 Ų201116.2 Ų116.287%0.87463%0.633SS**  trans-54.7104.6162.9-76-173.3177.4-175.30104.1V713 V717V713-K715 PolarHBondContact O-N 3.36Å; K715-V717 VanDerWaalsContact C-N 3.34Å; K715-V717 PolarHBondContact O-N 2.8Å
716T29.5Very low41.5Very low125 Ų125124 Ų12477%0.76766%0.658SS**  trans-51.3111.3162.228.10000103.8P714 P718P714-T716 PolarHBondContact O-N 2.95Å; T716-P718 VanDerWaalsContact O-CD 3.27Å; T716-P718 WeakPolarHBondContact O-CD 3.32Å
717V29Very low38.6Very low125 Ų125127.8 Ų127.876%0.75868%0.68SS**  trans-54118.1169.3177.10000103.9K715 T719K715-V717 VanDerWaalsContact C-N 3.34Å; K715-V717 PolarHBondContact O-N 2.8Å; V717-T719 PolarHBondContact O-N 3.02Å
718P27.9Very low36Very low106 Ų106129.7 Ų129.769%0.68869%0.694SS**  trans-56.9121178.2-17.528.8000105.9T716 I720T716-P718 VanDerWaalsContact O-CD 3.27Å; T716-P718 WeakPolarHBondContact O-CD 3.32Å; P718-I720 VanDerWaalsContact C-N 3.29Å; P718-I720 PolarHBondContact O-N 2.57Å
719T26.5Very low33.5Very low135 Ų135134 Ų13483%0.82872%0.722SS**  trans-55.2102.9167.4-22.20000105.2V717 P721V717-T719 PolarHBondContact O-N 3.02Å; T719-P721 VanDerWaalsContact O-CD 3.31Å; T719-P721 WeakPolarHBondContact O-CD 3.5Å; T719-P721 VanDerWaalsContact O-N 3.13Å
720I28Very low31.7Very low129 Ų129131.1 Ų131.166%0.66271%0.713SS**  trans-59.2119174.8-61.8172.9000104.6P718 N722 L723P718-I720 VanDerWaalsContact C-N 3.29Å; P718-I720 PolarHBondContact O-N 2.57Å; I720-N722 PolarHBondContact O-N 2.81Å; I720-L723 HydrophobicContact CG2-CD1 4.38Å
721P27.4Very low30.3Very low110 Ų110137 Ų13771%0.71474%0.74SS**  trans-58132178.4-18.430.1000108.2T719 L723T719-P721 VanDerWaalsContact O-CD 3.31Å; T719-P721 WeakPolarHBondContact O-CD 3.5Å; T719-P721 VanDerWaalsContact O-N 3.13Å; P721-L723 PolarHBondContact O-N 3.1Å
722N27.7Very low29.2Very low142 Ų142142 Ų14276%0.75977%0.771SS**  trans-43.4104.5-179-77.3-25000111I720 S724I720-N722 PolarHBondContact O-N 2.81Å; N722-S724 PolarHBondContact O-N 3.35Å
723L27.1Very low28.1Very low168 Ų168138 Ų13888%0.8878%0.775SS**SBendtrans-7958.4169.6-95.2150.1000109I720 P721I720-L723 HydrophobicContact CG2-CD1 4.38Å; P721-L723 PolarHBondContact O-N 3.1Å
724S29.6Very low27.5Very low91 Ų91141.9 Ų141.964%0.63678%0.782SS**  trans-149.144.1170.567.70000110.5N722N722-S724 PolarHBondContact O-N 3.35Å
725D29.3Very low26.9Very low155 Ų155146.8 Ų146.883%0.82980%0.796SS**  trans-130.954.9163-86.4-29.7000108.6
726R25Very low26.7Very low230 Ų230142.3 Ų142.387%0.86879%0.79SS**SBendtrans-147.1108.2160.1-77.5-163.5176.2176.5-2109.6
727N26.2Very low26.5Very low144 Ų144145.4 Ų145.477%0.7780%0.796SS**  trans59.9101.8153.9-56.4-7.3000116.4
728D28.2Very low26.4Very low161 Ų161144.4 Ų144.486%0.86179%0.794SS**  -157.913095.5-90.9-27.8000112
729T25Very low26.4Very low117 Ų117145.1 Ų145.172%0.71880%0.797SS**  trans-58.1149.7170.9420000112.3
730N26.3Very low26.3Very low149 Ų149148 Ų14880%0.79780%0.798SS**  trans80.789.1164.8-54-29.9000116.5
731L27.1Very low26.1Very low179 Ų179148.9 Ų148.994%0.93780%0.804SS**  -160.9111.3126.9-99.4161.5000109
732V25.7Very low26.1Very low148 Ų148149.7 Ų149.790%0.89781%0.807SS**  trans-67125.2-180170.80000110.5
733G22.6Very low25.9Very low64 Ų64150.5 Ų150.566%0.6681%0.809SS**  trans68.596.7144.200000118.5
734K25.2Very low25.7Very low206 Ų206147.4 Ų147.490%0.89680%0.801SS**  trans-164.5118.8131.8-106.9167.1-169.5-1780110.7S736K734-S736 PolarHBondContact O-N 3.12Å
735Q21.3Very low25.5Very low198 Ų198149.1 Ų149.193%0.92581%0.81SS**  trans-63.7120.6166.1-72.4172-20.100108.8
736S26.8Very low25.2Very low107 Ų107153.9 Ų153.975%0.74882%0.816SS**  trans-139.5112.5162.760.80000109.7K734 S738K734-S736 PolarHBondContact O-N 3.12Å; S736-S738 PolarHBondContact O-N 3.43Å
737H25.4Very low25.2Very low190 Ų190146.4 Ų146.488%0.8881%0.81SS**  trans-54.4112169-73.1-82.4000110.5T739H737-T739 PolarHBondContact O-N 2.96Å
738S26.1Very low25.2Very low103 Ų103145.8 Ų145.872%0.7282%0.816SS**  trans-88.193168.451.90000109.8S736 F740S736-S738 PolarHBondContact O-N 3.43Å; S738-F740 PolarHBondContact O-N 2.72Å
739T27.2Very low25.1Very low121 Ų121150.1 Ų150.174%0.74282%0.821SS**  trans-69.6114.916016.80000108.7H737 N741H737-T739 PolarHBondContact O-N 2.96Å; T739-N741 PolarHBondContact O-N 3.05Å
740F24.7Very low25.1Very low197 Ų197153.3 Ų153.386%0.86483%0.827SS**  trans-64.5101.9172.2-92.7-97000110S738 V742S738-F740 PolarHBondContact O-N 2.72Å; F740-V742 PolarHBondContact O-N 3.16Å
741N24.3Very low25.2Very low147 Ų147155.5 Ų155.579%0.78683%0.83SS**  trans-72.1107.4169.5-83.2-32.8000109.8T739 I743T739-N741 PolarHBondContact O-N 3.05Å; N741-I743 PolarHBondContact O-N 3.15Å
742V26.6Very low25Very low127 Ų127157.9 Ų157.977%0.7783%0.826SS**  trans-76.8111.4166.1177.20000108F740 C744F740-V742 PolarHBondContact O-N 3.16Å; V742-C744 PolarHBondContact O-N 3.18Å
743I23.7Very low25Very low158 Ų158159.3 Ų159.381%0.8182%0.823SS**  trans-72.9102.2176.1-62.2170.4000108.2N741N741-I743 PolarHBondContact O-N 3.15Å
744C23.8Very low25.2Very low104 Ų104163 Ų16370%0.70383%0.827SS**PPolyproline II helixtrans-80.9136.5166.7-80.10000110.5V742V742-C744 PolarHBondContact O-N 3.18Å
745P25.4Very low25Very low127 Ų127164.6 Ų164.683%0.82583%0.828SS**PPolyproline II helixtrans-67.6139.2178.8-12.327000111.9
746R23.3Very low25.2Very low254 Ų254161.8 Ų161.896%0.95882%0.824SS**PPolyproline II helixtrans-70.4139.1179.7-72.8174.2169.4171-3.4112.5
747G23.9Very low24.9Very low73 Ų73161.4 Ų161.475%0.75382%0.822SS**  trans117.2104.6167.300000110.6
748C25.9Very low24.8Very low132 Ų132159.2 Ų159.289%0.89282%0.817SS**  cis-137.6141.744.4-71.50000111.6E750C748-E750 PolarHBondContact O-N 2.96Å
749R26.6Very low24.5Very low252 Ų252163.3 Ų163.395%0.95182%0.821SS**  trans-62.2114.5174.4-85.4173.3164.5167.7-5.5110.5K751R749-K751 PolarHBondContact O-N 3.02Å
750E26.4Very low24.3Very low184 Ų184168.5 Ų168.586%0.8683%0.827SS**  trans-68.9119.9155.7-76.6179.6161.500108.7C748 R752C748-E750 PolarHBondContact O-N 2.96Å; E750-R752 PolarHBondContact O-N 3.36Å
751K27.1Very low24.1Very low194 Ų194165.8 Ų165.884%0.84382%0.821SS**  trans-64.5103.8166.7-86.3-178.3172.3-177.70107.9R749 E753R749-K751 PolarHBondContact O-N 3.02Å; K751-E753 PolarHBondContact O-N 3.22Å; K751-E753 VanDerWaalsContact O-N 3.12Å
752R23.4Very low23.9Very low230 Ų230168 Ų16887%0.86882%0.819SS**  trans-63.2100.2160-78.2178.6171.6175.4-3.4108.4E750E750-R752 PolarHBondContact O-N 3.36Å
753E26.2Very low23.9Very low178 Ų178170.1 Ų170.183%0.83283%0.826SS**  trans-92.3111156-81.9-178.1-177.200108.5K751K751-E753 PolarHBondContact O-N 3.22Å; K751-E753 VanDerWaalsContact O-N 3.12Å
754N25.9Very low23.7Very low140 Ų140171.1 Ų171.175%0.74983%0.825SS**  trans-65.5136.7179.5-82.3-35.9000110.8T756N754-T756 PolarHBondContact O-N 3.46Å
755R20.9Very low23.5Very low241 Ų241171.2 Ų171.291%0.90983%0.827SS**  trans-18.9118149-68.2172.2170.8177.8-3.5114
756T25.1Very low23.5Very low138 Ų138170.3 Ų170.385%0.84782%0.823SS**  trans-131.5104.814244.60000109.3N754N754-T756 PolarHBondContact O-N 3.46Å
757S20.4Very low23.4Very low100 Ų100164.3 Ų164.370%0.69981%0.814SS**  trans-59.1128.5153.846.30000110.4
758N23.3Very low23.2Very low144 Ų144169 Ų16977%0.7782%0.817SS**  trans173.9116.9130.2-91-31.5000112.9
759K21.5Very low23.2Very low188 Ų188170.7 Ų170.782%0.81782%0.817SS**  37.8137.1126.4-72.5-179.8173.9175.30121.4
760R21.8Very low22.9Very low230 Ų230164.6 Ų164.687%0.86881%0.808SS**  trans99.6108.9156-68.4177.9174.8176-1.7114.4
761I19.9Very low22.7Very low141 Ų141159 Ų15972%0.72380%0.8SS**  77.8121.864.8-68.7173.7000112.4
762Y21.3Very low22.5Very low193 Ų193158.4 Ų158.476%0.75780%0.799SS**  trans69.6112.1168.1-71.4-63.6000119.2
763N25.2Very low22.6Very low172 Ų172153 Ų15392%0.9280%0.797SS**  -151.3141.5109-98.5-24.3000112.3
764K19.8Very low22.6Very low179 Ų179148.8 Ų148.878%0.77879%0.792SS**  trans-89.5154.6-176.7-114.2175.1170.5178.80109.7
765S19.9Very low22.4Very low106 Ų106150.5 Ų150.574%0.74180%0.801SS**  trans57.4120.1144.863.50000120.3
766S25Very low22.7Very low108 Ų108145.7 Ų145.776%0.75579%0.791SS**  -177121.911551.80000111.9
767V22.5Very low22.5Very low127 Ų127142.2 Ų142.277%0.7778%0.783SS**  trans6396.6133.4-172.90000116.1
768E20.2Very low22.7Very low171 Ų171147 Ų14780%0.79979%0.787SS**  44.490.791.6-77.8-173.1169.100114
769N25.1Very low22.8Very low168 Ų168148.1 Ų148.190%0.89879%0.787SS**  trans-123.597148.4-100.3-26.3000108.5
770V20.6Very low23Very low125 Ų125148.7 Ų148.776%0.75879%0.79SS**  trans-69.4131.2162.2173.10000107.8
771G22.6Very low23Very low67 Ų67144.4 Ų144.469%0.69178%0.78SS**  trans-173.468.9179.600000113.5
772H22.5Very low23.4Very low180 Ų180142.4 Ų142.483%0.83378%0.778SS**  trans23.9113.8150.5-63.8-66.2000119.5
773S25.8Very low23.5Very low118 Ų118139 Ų13983%0.82577%0.774SS**  trans-139.8103.2144.367.30000110.9
774A25.1Very low23.6Very low88 Ų88140.2 Ų140.273%0.72777%0.771SS**  trans19.2115.7146.500000119.1I776A774-I776 PolarHBondContact O-N 2.71Å
775L22Very low23.9Very low177 Ų177139.6 Ų139.693%0.92777%0.77SS**  trans-14.7109.8135.1-72.1148.9000114.2
776I27Very low24.2Very low139 Ų139139.6 Ų139.671%0.71377%0.77SS**  trans-126.395148.4-61.7-179.7000106A774 Y778A774-I776 PolarHBondContact O-N 2.71Å; I776-Y778 HydrophobicContact CG2-CD2 4.01Å; I776-Y778 HydrophobicContact CG2-CE2 3.72Å
777G21.4Very low24.4Very low65 Ų65140.7 Ų140.767%0.6777%0.773SS**  trans-72.4127.3171.100000110.2
778Y25.1Very low24.6Very low201 Ų201145.8 Ų145.879%0.78878%0.78SS**  trans-112.889.1155.4-83-79.9000107.7I776 F780I776-Y778 HydrophobicContact CG2-CD2 4.01Å; I776-Y778 HydrophobicContact CG2-CE2 3.72Å; Y778-F780 PolarHBondContact O-N 3.1Å
779H23.7Very low24.9Very low167 Ų167148.8 Ų148.877%0.77378%0.784SS**  trans-73.3104.8161.8-93.7-69.8000108.4Q781H779-Q781 PolarHBondContact O-N 2.9Å
780F26.2Very low24.8Very low201 Ų201150.1 Ų150.188%0.88278%0.782SS**  trans-87.584.1154.8-93.2-86.7000107.8Y778Y778-F780 PolarHBondContact O-N 3.1Å
781Q22.8Very low25.6Very low139 Ų139154.5 Ų154.565%0.6581%0.809SS**  trans-92.7100.5162.1-87.8-175.7-17.700108.3H779 N783H779-Q781 PolarHBondContact O-N 2.9Å; Q781-N783 PolarHBondContact O-N 3.26Å
782S26.8Very low25.7Very low99 Ų99158.9 Ų158.969%0.69282%0.815SS**  trans-82.784.7163.558.60000109.1F784S782-F784 PolarHBondContact O-N 3.15Å
783N24Very low25.9Very low123 Ų123157.7 Ų157.766%0.65881%0.814SS**  trans-79.697167.2-81-25.9000109.2Q781 H785Q781-N783 PolarHBondContact O-N 3.26Å; N783-H785 PolarHBondContact O-N 3.4Å
784F27.6Very low25.9Very low197 Ų197159.9 Ų159.986%0.86481%0.813SS**  trans-82.784.3161-84.2-83.4000108.7S782S782-F784 PolarHBondContact O-N 3.15Å
785H26.2Very low25.9Very low165 Ų165164.2 Ų164.276%0.76482%0.818SS**  trans-93.5103.9162.4-101.6-49.8000109.1N783 T787N783-H785 PolarHBondContact O-N 3.4Å; H785-T787 PolarHBondContact O-N 3.48Å
786S26.2Very low26.2Very low106 Ų106163.4 Ų163.474%0.74181%0.811SS**  trans-73.6109.2164.459.90000109.4
787T29.1Very low26.1Very low132 Ų132165 Ų16581%0.8182%0.818SS**  trans-112.890.8163.539.60000109H785H785-T787 PolarHBondContact O-N 3.48Å
788Y26.8Very low26.4Very low233 Ų233172.1 Ų172.191%0.91483%0.829SS**  trans-83.1118.3159.3-90.8-89000108.4
789R26.5Very low26.6Very low235 Ų235169.9 Ų169.989%0.88783%0.832SS**  trans-134.3118.1161.4-113.5-174.3-174.7-173.62.6108.9
790K23Very low26.8Very low196 Ų196170.2 Ų170.285%0.85284%0.837SS**  trans24119.1142.9-60.2179.8174.9-175.20115
791T36.1Very low26.8Very low216 Ų216167.4 Ų167.4100%1.32583%0.832SS**  cis-156.2048.937.10000110.4

Retrieved 791 of 791 residues in 1399.3 ms (Link to these results)

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