A0A060WWZ5_ONCMY Loading...

ADP-ribosylhydrolase ARH3

AlphaFold DB , UniProt , Accession A0A060WWZ5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 381 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
1M32.8Very low43.5Very low247 Ų247111.5 Ų111.5100%1.21769%0.688SS**  092.40-76.9179.6174.300107.5
2A28.8Very low46.7Very low96 Ų96105.8 Ų105.879%0.79367%0.669SS**  trans-85.7117.2172.200000106.9T4A2-T4 PolarHBondContact O-N 3.04Å
3M29Very low50.1Low194 Ų194101 Ų10196%0.95665%0.652SS**  trans-65.3101.2166.5-76.8-179.2168.600107.2A5M3-A5 PolarHBondContact O-N 2.92Å; M3-A5 VanDerWaalsContact O-N 3.16Å
4T33.5Very low53.2Low120 Ų12099.8 Ų99.874%0.73664%0.644SS**  trans-63.7111163.619.50000107.3A2 V6A2-T4 PolarHBondContact O-N 3.04Å; T4-V6 PolarHBondContact O-N 3.02Å
5A35.7Very low56Low90 Ų9093.5 Ų93.574%0.74460%0.604SS**  trans-57.2123.4175.500000109.3M3 R7M3-A5 PolarHBondContact O-N 2.92Å; M3-A5 VanDerWaalsContact O-N 3.16Å; A5-R7 PolarHBondContact O-N 3.34Å
6V43.4Very low58.7Low104 Ų10489.1 Ų89.163%0.6358%0.577SS**  trans-54.5123.5165176.80000106.7T4 S8T4-V6 PolarHBondContact O-N 3.02Å; V6-S8 VanDerWaalsContact C-N 3.33Å; V6-S8 PolarHBondContact O-N 3.16Å
7R49.8Very low61Low152 Ų15287.5 Ų87.557%0.57456%0.562SS**  trans-6693.9176.8-74.8-177175.9-163.6-0.4108.7A5 I331A5-R7 PolarHBondContact O-N 3.34Å; R7-I331 PolarHBondContact NH1-O 2.58Å
8S42.6Very low63.1Low109 Ų10983.8 Ų83.876%0.76254%0.538SS*.  trans-102.646.3173.357.40000111.1V6 G10V6-S8 VanDerWaalsContact C-N 3.33Å; V6-S8 PolarHBondContact O-N 3.16Å; S8-G10 PolarHBondContact O-N 3.26Å; S8-G10 VanDerWaalsContact O-N 3.14Å
9G50Low65Low41 Ų4179.4 Ų79.442%0.42351%0.51SS..  trans-66.4108.8166.100000108.3A11G9-A11 PolarHBondContact O-N 3.12Å
10G60.1Low66.6Low66 Ų6675.5 Ų75.568%0.6849%0.485SS*.  trans-64.9128.6178.600000109.9S8 G12S8-G10 PolarHBondContact O-N 3.26Å; S8-G10 VanDerWaalsContact O-N 3.14Å; G10-G12 PolarHBondContact O-N 3.18Å
11A72.7Confident68.2Low7 Ų774.9 Ų74.96%0.05847%0.473CS..  trans-63.213.7-179.600000114.5G9 S16 R19 H325 Y326G9-A11 PolarHBondContact O-N 3.12Å; A11-S16 WeakPolarHBondContact O-CB 3.27Å; A11-S16 PolarHBondContact O-OG 3.21Å; A11-R19 HydrophobicContact CB-CG 3.83Å; A11-R19 WeakPolarHBondContact O-CG 3.29Å; A11-H325 WeakPolarHBondContact CB-O 3.49Å; A11-Y326 VanDerWaalsContact CB-C 3.47Å; A11-Y326 WeakPolarHBondContact CB-O 3.24Å
12G81.9Confident71.3Confident44 Ų4463.1 Ų63.145%0.45442%0.415SS..  trans65.4-173.9-169.700000113.2G10 R19G10-G12 PolarHBondContact O-N 3.18Å; G12-R19 PolarHBondContact O-NE 3.27Å; G12-R19 PolarHBondContact O-NH2 3.41Å
13G90.6Very high74.7Confident43 Ų4358.6 Ų58.644%0.44338%0.377SS..SBendtrans-67.9-178.1177.900000113.8A15 S16 R19G13-A15 PolarHBondContact O-N 3.11Å; G13-S16 WeakPolarHBondContact O-CB 3.05Å; G13-S16 PolarHBondContact O-N 3.23Å; G13-R19 WeakPolarHBondContact O-CD 3.4Å; G13-R19 PolarHBondContact O-NE 3.11Å
14P94.3Very high78Confident84 Ų8449.5 Ų49.555%0.54533%0.333SS..THydrogen-bonded Turntrans-49.2136.2172.7-29.137000112.1S16P14-S16 PolarHBondContact O-N 3.45Å; P14-S16 VanDerWaalsContact O-N 3.15Å
15A95.6Very high81.1Confident6 Ų643.8 Ų43.85%0.0530%0.298CS..THydrogen-bonded Turntrans54.728.3178.500000115.3G13 F20 L194 Y356G13-A15 PolarHBondContact O-N 3.11Å; A15-F20 HydrophobicContact CB-CE2 3.94Å; A15-F20 WeakPolarHBondContact O-CE2 3.37Å; A15-L194 HydrophobicContact CB-CD2 4.44Å; A15-L194 HydrophobicContact CB-CG 4.26Å; A15-L194 PolarHBondContact N-O 3.08Å; A15-Y356 HydrophobicContact CB-CE1 3.94Å
16S98Very high84.1Confident23 Ų2339.5 Ų39.516%0.16126%0.262CS..  trans-65.1157.6175.587.20000112.4A11 G13 P14 S18 R19 F20A11-S16 WeakPolarHBondContact O-CB 3.27Å; A11-S16 PolarHBondContact O-OG 3.21Å; G13-S16 WeakPolarHBondContact O-CB 3.05Å; G13-S16 PolarHBondContact O-N 3.23Å; P14-S16 PolarHBondContact O-N 3.45Å; P14-S16 VanDerWaalsContact O-N 3.15Å; S16-S18 PolarHBondContact O-N 3.06Å; S16-S18 PolarHBondContact OG-N 3.46Å; S16-R19 PolarHBondContact O-N 2.97Å; S16-R19 PolarHBondContact OG-N 3.4Å; S16-F20 VanDerWaalsContact O-CD2 3.29Å; S16-F20 WeakPolarHBondContact O-CD2 3.4Å; S16-F20 PolarHBondContact O-N 3.37Å; S16-F20 VanDerWaalsContact O-N 3.15Å
17L98.4Very high86.7Confident62 Ų6234.8 Ų34.833%0.32523%0.234SC..Hα-helixtrans-55.6-37172.5179.761.3000113.2R19 F20 R21 E350 H353L17-R19 VanDerWaalsContact C-N 3.29Å; L17-R19 PolarHBondContact O-N 3.22Å; L17-F20 PolarHBondContact O-N 3.39Å; L17-R21 HydrophobicContact CD1-CG 3.98Å; L17-R21 HydrophobicContact CG-CG 4.25Å; L17-R21 WeakPolarHBondContact O-CB 3.37Å; L17-R21 WeakPolarHBondContact O-CG 3.49Å; L17-R21 PolarHBondContact O-N 3.25Å; L17-E350 HydrophobicContact CD1-CB 4.19Å; L17-E350 HydrophobicContact CD1-CG 3.79Å; L17-E350 HydrophobicContact CD2-CG 4.37Å; L17-H353 HydrophobicContact CD1-CB 3.77Å; L17-H353 PolarHBondContact N-CD2 3.23Å; L17-H353 PolarHBondContact N-NE2 3.06Å
18S98.5Very high89.1Confident20 Ų2027.7 Ų27.714%0.1421%0.208CC..Hα-helixtrans-60.5-40.3177.8-178.90000111.2S16 G22 G327 I328 D329S16-S18 PolarHBondContact O-N 3.06Å; S16-S18 PolarHBondContact OG-N 3.46Å; S18-G22 PolarHBondContact O-N 3.05Å; S18-G327 CarbonylContact O-C 3.55Å; S18-G327 VanDerWaalsContact O-CA 3.24Å; S18-G327 WeakPolarHBondContact O-CA 3.29Å; S18-I328 PolarHBondContact O-N 2.84Å; S18-I328 PolarHBondContact OG-N 3.18Å; S18-D329 PolarHBondContact OG-OD2 3.02Å
19R98.6Very high91.7Very high1 Ų122.6 Ų22.60%0.00417%0.172CC..Hα-helixtrans-69.8-37.9176.7-62.6177.5-177.7-78.8-6.9113.3A11 G12 G13 S16 L17 G22 A23 L194 E199 A324 H325A11-R19 HydrophobicContact CB-CG 3.83Å; A11-R19 WeakPolarHBondContact O-CG 3.29Å; G12-R19 PolarHBondContact O-NE 3.27Å; G12-R19 PolarHBondContact O-NH2 3.41Å; G13-R19 WeakPolarHBondContact O-CD 3.4Å; G13-R19 PolarHBondContact O-NE 3.11Å; S16-R19 PolarHBondContact O-N 2.97Å; S16-R19 PolarHBondContact OG-N 3.4Å; L17-R19 VanDerWaalsContact C-N 3.29Å; L17-R19 PolarHBondContact O-N 3.22Å; R19-G22 PolarHBondContact O-N 3.21Å; R19-A23 WeakPolarHBondContact O-CB 3.41Å; R19-A23 PolarHBondContact O-N 3.27Å; R19-L194 HydrophobicContact CB-CD1 3.57Å; R19-L194 VanDerWaalsContact CD-O 3.31Å; R19-L194 WeakPolarHBondContact CD-O 3.19Å; R19-E199 IonicContact CZ-OE1 2.63Å; R19-E199 IonicContact NH1-OE1 3.79Å; R19-E199 IonicContact NH2-OE1 3.91Å; R19-E199 PolarHBondContact NH2-OE1 2.74Å; R19-A324 WeakPolarHBondContact CB-O 3.05Å; R19-A324 WeakPolarHBondContact CD-O 3.35Å; R19-A324 WeakPolarHBondContact CG-O 3.43Å; R19-A324 PolarHBondContact NH1-O 2.88Å; R19-H325 PolarHBondContact NH1-O 2.93Å
20F98.8Very high94.1Very high0 Ų020.6 Ų20.60%015%0.152CC..Hα-helixtrans-61.7-51.2175.9-86.1-118.4000111.1A15 S16 L17 G22 A23 L24 L154 L194 A349 L352 H353 Y356A15-F20 HydrophobicContact CB-CE2 3.94Å; A15-F20 WeakPolarHBondContact O-CE2 3.37Å; S16-F20 VanDerWaalsContact O-CD2 3.29Å; S16-F20 WeakPolarHBondContact O-CD2 3.4Å; S16-F20 PolarHBondContact O-N 3.37Å; S16-F20 VanDerWaalsContact O-N 3.15Å; L17-F20 PolarHBondContact O-N 3.39Å; F20-G22 VanDerWaalsContact C-N 3.35Å; F20-A23 PolarHBondContact O-N 3.33Å; F20-L24 PolarHBondContact O-N 3.46Å; F20-L154 HydrophobicContact CD1-CB 4.06Å; F20-L154 HydrophobicContact CD1-CD2 4.01Å; F20-L154 HydrophobicContact CD1-CG 4.47Å; F20-L154 HydrophobicContact CD2-CD2 4.47Å; F20-L154 HydrophobicContact CE1-CB 3.98Å; F20-L154 HydrophobicContact CE1-CD2 4.27Å; F20-L154 WeakPolarHBondContact CE1-O 3.41Å; F20-L154 HydrophobicContact CG-CD2 4.13Å; F20-L194 HydrophobicContact CD2-CD1 3.65Å; F20-L194 HydrophobicContact CD2-CD2 4.43Å; F20-L194 HydrophobicContact CE2-CD1 3.73Å; F20-L194 HydrophobicContact CE2-CD2 3.75Å; F20-L194 HydrophobicContact CE2-CG 4.15Å; F20-L194 HydrophobicContact CZ-CD2 4.05Å; F20-A349 HydrophobicContact CB-CB 4.45Å; F20-L352 HydrophobicContact CD1-CB 4.31Å; F20-H353 HydrophobicContact CB-CB 4.22Å; F20-H353 VanDerWaalsContact CD1-CA 3.43Å; F20-H353 HydrophobicContact CD1-CB 3.56Å; F20-H353 HydrophobicContact CD2-CB 4.45Å; F20-H353 AromaticContact CD2-CD2 3.82Å; F20-H353 HydrophobicContact CE1-CB 3.93Å; F20-H353 AromaticContact CE2-CD2 3.97Å; F20-H353 HydrophobicContact CG-CB 3.84Å; F20-Y356 HydrophobicContact CE1-CD2 4.29Å; F20-Y356 HydrophobicContact CE1-CG 4.11Å; F20-Y356 AromaticContact CZ-CD1 3.9Å; F20-Y356 HydrophobicContact CZ-CD1 3.9Å; F20-Y356 AromaticContact CZ-CD2 3.76Å; F20-Y356 HydrophobicContact CZ-CD2 3.76Å; F20-Y356 HydrophobicContact CZ-CE1 4.43Å; F20-Y356 HydrophobicContact CZ-CE2 4.26Å; F20-Y356 AromaticContact CZ-CG 3.55Å; F20-Y356 HydrophobicContact CZ-CG 3.55Å
21R98.8Very high95.9Very high64 Ų6417.5 Ų17.524%0.24212%0.119CC..Hα-helixtrans-59.8-47.4177-67.8175.766.9-168.12110.5L17 A23 L24 V25 I328 D346 A349 E350L17-R21 HydrophobicContact CD1-CG 3.98Å; L17-R21 HydrophobicContact CG-CG 4.25Å; L17-R21 WeakPolarHBondContact O-CB 3.37Å; L17-R21 WeakPolarHBondContact O-CG 3.49Å; L17-R21 PolarHBondContact O-N 3.25Å; R21-A23 PolarHBondContact O-N 3.08Å; R21-L24 PolarHBondContact O-N 3.44Å; R21-V25 VanDerWaalsContact O-CB 3.27Å; R21-V25 WeakPolarHBondContact O-CB 3.45Å; R21-V25 VanDerWaalsContact O-CG2 3.26Å; R21-V25 WeakPolarHBondContact O-CG2 3.39Å; R21-V25 PolarHBondContact O-N 3.36Å; R21-I328 HydrophobicContact CB-CB 3.79Å; R21-I328 HydrophobicContact CB-CD1 4.04Å; R21-I328 HydrophobicContact CB-CG1 4.1Å; R21-I328 HydrophobicContact CB-CG2 4.25Å; R21-D346 WeakPolarHBondContact CG-OD1 3.47Å; R21-D346 IonicContact CZ-OD1 3.44Å; R21-D346 VanDerWaalsContact CZ-OD1 3.27Å; R21-D346 IonicContact CZ-OD2 3.27Å; R21-D346 IonicContact NE-OD1 2.71Å; R21-D346 PolarHBondContact NE-OD1 3.12Å; R21-D346 IonicContact NE-OD2 3.09Å; R21-D346 VanDerWaalsContact NH2-CG 3.28Å; R21-D346 IonicContact NH2-OD1 3.65Å; R21-D346 PolarHBondContact NH2-OD1 2.73Å; R21-D346 VanDerWaalsContact NH2-OD1 3.09Å; R21-D346 IonicContact NH2-OD2 3.44Å; R21-D346 PolarHBondContact NH2-OD2 3.42Å; R21-A349 HydrophobicContact CB-CB 4.39Å; R21-A349 HydrophobicContact CG-CB 4.08Å; R21-E350 HydrophobicContact CG-CG 4.26Å; R21-E350 IonicContact NE-OE1 2.76Å
22G98.8Very high97.1Very high0 Ų017.4 Ų17.40%012%0.118CC..Hα-helixtrans-54.8-49.4175.700000112.7S18 R19 F20 A26 G323S18-G22 PolarHBondContact O-N 3.05Å; R19-G22 PolarHBondContact O-N 3.21Å; F20-G22 VanDerWaalsContact C-N 3.35Å; G22-A26 WeakPolarHBondContact O-CB 3.48Å; G22-A26 PolarHBondContact O-N 3.42Å; G22-G323 VanDerWaalsContact C-C 3.47Å; G22-G323 VanDerWaalsContact C-CA 3.45Å; G22-G323 CarbonylContact C-O 3.53Å; G22-G323 WeakPolarHBondContact O-CA 3.08Å
23A98.9Very high97.9Very high0 Ų015.4 Ų15.40%010%0.097CC..Hα-helixtrans-60.4-51.3-177.900000112.6R19 F20 R21 A27 L154 A320 A324R19-A23 WeakPolarHBondContact O-CB 3.41Å; R19-A23 PolarHBondContact O-N 3.27Å; F20-A23 PolarHBondContact O-N 3.33Å; R21-A23 PolarHBondContact O-N 3.08Å; A23-A27 WeakPolarHBondContact O-CB 3.47Å; A23-A27 PolarHBondContact O-N 3.07Å; A23-A27 VanDerWaalsContact O-N 3.14Å; A23-L154 HydrophobicContact CB-CD1 4.32Å; A23-L154 HydrophobicContact CB-CD2 4.18Å; A23-A320 WeakPolarHBondContact O-CA 3.32Å; A23-A324 HydrophobicContact CB-CB 3.87Å
24L98.8Very high98.2Very high4 Ų413.4 Ų13.42%0.0218%0.076CC..Hα-helixtrans-75.3-38.1-174.2-162.558.5000112.1F20 R21 A27 V28 T74 V78 P151 L154 A345 N348 A349 L352F20-L24 PolarHBondContact O-N 3.46Å; R21-L24 PolarHBondContact O-N 3.44Å; L24-A27 PolarHBondContact O-N 2.98Å; L24-V28 PolarHBondContact O-N 2.88Å; L24-T74 HydrophobicContact CD1-CG2 3.71Å; L24-V78 HydrophobicContact CD1-CG2 4.19Å; L24-V78 HydrophobicContact CD2-CG2 4.04Å; L24-P151 HydrophobicContact CD1-CG 4.35Å; L24-L154 HydrophobicContact CB-CD1 4.26Å; L24-A345 HydrophobicContact CB-CB 4.49Å; L24-A345 HydrophobicContact CD2-CB 4.43Å; L24-A345 WeakPolarHBondContact CD2-O 3.27Å; L24-A345 HydrophobicContact CG-CB 3.97Å; L24-N348 HydrophobicContact CD2-CB 4.39Å; L24-A349 HydrophobicContact CB-CB 4.1Å; L24-A349 HydrophobicContact CD2-CB 4.23Å; L24-L352 HydrophobicContact CD2-CD1 4.14Å
25V98.9Very high98.3Very high0 Ų011 Ų110%07%0.067CC..Hα-helixtrans-68.3-45.7176.7175.10000110.5R21 A27 V28 L29 I328 I331 Q336 A345 D346R21-V25 VanDerWaalsContact O-CB 3.27Å; R21-V25 WeakPolarHBondContact O-CB 3.45Å; R21-V25 VanDerWaalsContact O-CG2 3.26Å; R21-V25 WeakPolarHBondContact O-CG2 3.39Å; R21-V25 PolarHBondContact O-N 3.36Å; V25-A27 VanDerWaalsContact C-N 3.26Å; V25-A27 PolarHBondContact O-N 2.89Å; V25-V28 PolarHBondContact O-N 3.38Å; V25-V28 VanDerWaalsContact O-N 3.14Å; V25-L29 HydrophobicContact CG1-CD1 3.8Å; V25-L29 VanDerWaalsContact O-CD1 3.27Å; V25-L29 WeakPolarHBondContact O-CD1 3.41Å; V25-L29 PolarHBondContact O-N 3.14Å; V25-I328 HydrophobicContact CB-CD1 3.82Å; V25-I328 HydrophobicContact CG1-CD1 4.02Å; V25-I328 HydrophobicContact CG2-CD1 3.75Å; V25-I331 HydrophobicContact CB-CD1 3.87Å; V25-I331 HydrophobicContact CG1-CD1 3.66Å; V25-Q336 HydrophobicContact CG1-CG 4.1Å; V25-A345 HydrophobicContact CG2-CB 4.17Å; V25-D346 HydrophobicContact CG2-CB 3.8Å
26A98.8Very high98.2Very high0 Ų016.5 Ų16.50%09%0.091CC..Hα-helixtrans-63.6-32.2178.700000112.6G22 L29 G30 L297 M301 G319 I331G22-A26 WeakPolarHBondContact O-CB 3.48Å; G22-A26 PolarHBondContact O-N 3.42Å; A26-L29 PolarHBondContact O-N 3.23Å; A26-G30 PolarHBondContact O-N 2.86Å; A26-L297 HydrophobicContact CB-CD1 3.97Å; A26-M301 HydrophobicContact CB-CE 4.18Å; A26-M301 WeakPolarHBondContact O-CE 3.43Å; A26-G319 WeakPolarHBondContact CB-O 3.41Å; A26-I331 HydrophobicContact CB-CD1 3.94Å
27A98.9Very high98.2Very high4 Ų416.3 Ų16.33%0.0339%0.088CC..Hα-helixtrans-59.6-49171.800000111.7A23 L24 V25 L29 G30 D31 C316 A320A23-A27 WeakPolarHBondContact O-CB 3.47Å; A23-A27 PolarHBondContact O-N 3.07Å; A23-A27 VanDerWaalsContact O-N 3.14Å; L24-A27 PolarHBondContact O-N 2.98Å; V25-A27 VanDerWaalsContact C-N 3.26Å; V25-A27 PolarHBondContact O-N 2.89Å; A27-L29 VanDerWaalsContact C-N 3.31Å; A27-L29 PolarHBondContact O-N 2.85Å; A27-G30 PolarHBondContact O-N 3.16Å; A27-D31 PolarHBondContact O-N 2.71Å; A27-D31 VanDerWaalsContact O-N 3.08Å; A27-C316 WeakPolarHBondContact CA-O 3.29Å; A27-C316 WeakPolarHBondContact O-CA 3.25Å; A27-A320 HydrophobicContact CB-CB 4Å
28V98.9Very high98.1Very high4 Ų418.4 Ų18.42%0.02410%0.096CC..Hα-helixtrans-61.7-39.4176.9175.70000112L24 V25 D31 C32 T71 E340 A342 A345L24-V28 PolarHBondContact O-N 2.88Å; V25-V28 PolarHBondContact O-N 3.38Å; V25-V28 VanDerWaalsContact O-N 3.14Å; V28-D31 PolarHBondContact O-N 3.09Å; V28-C32 WeakPolarHBondContact O-CB 3.33Å; V28-C32 PolarHBondContact O-N 3.27Å; V28-C32 PolarHBondContact O-SG 3Å; V28-T71 HydrophobicContact CG1-CG2 4.27Å; V28-T71 HydrophobicContact CG2-CG2 3.77Å; V28-E340 VanDerWaalsContact CG1-O 3.27Å; V28-E340 WeakPolarHBondContact CG1-O 3.42Å; V28-A342 HydrophobicContact CG1-CB 4.4Å; V28-A345 HydrophobicContact CG2-CB 3.72Å
29L98.6Very high98Very high1 Ų120.3 Ų20.31%0.00512%0.119CC..Hα-helixtrans-64-43.1176-92.158000111.5V25 A26 A27 D31 C32 V33 M301 I331 W335 C339 A342V25-L29 HydrophobicContact CG1-CD1 3.8Å; V25-L29 VanDerWaalsContact O-CD1 3.27Å; V25-L29 WeakPolarHBondContact O-CD1 3.41Å; V25-L29 PolarHBondContact O-N 3.14Å; A26-L29 PolarHBondContact O-N 3.23Å; A27-L29 VanDerWaalsContact C-N 3.31Å; A27-L29 PolarHBondContact O-N 2.85Å; L29-D31 VanDerWaalsContact C-N 3.34Å; L29-D31 PolarHBondContact O-N 3.47Å; L29-C32 PolarHBondContact O-N 3.23Å; L29-V33 WeakPolarHBondContact O-CB 3.33Å; L29-V33 WeakPolarHBondContact O-CG2 3.46Å; L29-V33 PolarHBondContact O-N 3Å; L29-M301 HydrophobicContact CB-CE 4.28Å; L29-I331 HydrophobicContact CD2-CG2 3.35Å; L29-W335 HydrophobicContact CD2-CB 3.77Å; L29-W335 HydrophobicContact CD2-CE3 4.35Å; L29-W335 HydrophobicContact CG-CB 4.34Å; L29-C339 HydrophobicContact CD1-CB 3.97Å; L29-A342 HydrophobicContact CD1-CB 4.01Å
30G98.8Very high97.8Very high0 Ų022 Ų220%013%0.133CC..Hα-helixtrans-58.9-45.9177.400000112.1A26 A27 G34 A315A26-G30 PolarHBondContact O-N 2.86Å; A27-G30 PolarHBondContact O-N 3.16Å; G30-G34 WeakPolarHBondContact O-CA 2.96Å; G30-G34 PolarHBondContact O-N 3.43Å; G30-A315 WeakPolarHBondContact O-CB 3.41Å
31D98.8Very high97.6Very high1 Ų130.4 Ų30.41%0.00517%0.172CC..Hα-helixtrans-57.6-62.3172.4169.7-3.7000111.2A27 V28 L29 V33 G34 G35 S68 D70 T71 C316A27-D31 PolarHBondContact O-N 2.71Å; A27-D31 VanDerWaalsContact O-N 3.08Å; V28-D31 PolarHBondContact O-N 3.09Å; L29-D31 VanDerWaalsContact C-N 3.34Å; L29-D31 PolarHBondContact O-N 3.47Å; D31-V33 VanDerWaalsContact C-N 3.34Å; D31-V33 PolarHBondContact O-N 2.76Å; D31-G34 PolarHBondContact O-N 3.39Å; D31-G35 PolarHBondContact O-N 3.34Å; D31-S68 VanDerWaalsContact CG-N 3.34Å; D31-S68 VanDerWaalsContact OD1-CB 3.3Å; D31-S68 WeakPolarHBondContact OD1-CB 3.47Å; D31-S68 PolarHBondContact OD1-N 3.41Å; D31-S68 PolarHBondContact OD1-OG 2.92Å; D31-S68 VanDerWaalsContact OD1-OG 3.08Å; D31-S68 PolarHBondContact OD2-N 3.48Å; D31-S68 VanDerWaalsContact OD2-N 3.11Å; D31-D70 HydrophobicContact CB-CB 4.03Å; D31-D70 WeakPolarHBondContact OD2-CB 3.46Å; D31-T71 WeakPolarHBondContact OD2-CB 3.27Å; D31-T71 PolarHBondContact OD2-N 3.3Å; D31-T71 PolarHBondContact OD2-OG1 2.9Å; D31-C316 HydrophobicContact CB-CB 4.18Å
32C98.4Very high97.4Very high5 Ų535.7 Ų35.73%0.03420%0.199CC..Hα-helixtrans-59-41.9-173.8-67.20000113.4V28 L29 L65 C339V28-C32 WeakPolarHBondContact O-CB 3.33Å; V28-C32 PolarHBondContact O-N 3.27Å; V28-C32 PolarHBondContact O-SG 3Å; L29-C32 PolarHBondContact O-N 3.23Å; C32-L65 HydrophobicContact CB-CB 3.83Å; C32-L65 HydrophobicContact CB-CD1 4.49Å; C32-C339 HydrophobicContact CB-CB 3.87Å; C32-C339 VanDerWaalsContact CB-SG 3.55Å
33V96.9Very high97.3Very high2 Ų236.1 Ų36.11%0.01220%0.202CC..Hα-helixtrans-79.8-35.4-177.6176.30000110.8L29 D31 H51 L52 L55 L65 L305L29-V33 WeakPolarHBondContact O-CB 3.33Å; L29-V33 WeakPolarHBondContact O-CG2 3.46Å; L29-V33 PolarHBondContact O-N 3Å; D31-V33 VanDerWaalsContact C-N 3.34Å; D31-V33 PolarHBondContact O-N 2.76Å; V33-H51 PolarHBondContact O-NE2 3.38Å; V33-L52 HydrophobicContact CG1-CD2 3.44Å; V33-L52 VanDerWaalsContact CG1-CD2 3.44Å; V33-L55 HydrophobicContact CG1-CD1 4.36Å; V33-L55 HydrophobicContact CG2-CD1 3.86Å; V33-L65 HydrophobicContact CB-CD1 4.49Å; V33-L65 HydrophobicContact CG2-CD1 3.79Å; V33-L305 HydrophobicContact CG1-CD2 3.85Å
34G97.3Very high97.2Very high0 Ų039.1 Ų39.10%022%0.222CC..Hα-helixtrans-72.5-26.1178.200000113.7G30 D31 E36 F37 T311G30-G34 WeakPolarHBondContact O-CA 2.96Å; G30-G34 PolarHBondContact O-N 3.43Å; D31-G34 PolarHBondContact O-N 3.39Å; G34-E36 PolarHBondContact O-N 2.74Å; G34-E36 VanDerWaalsContact O-N 3.15Å; G34-F37 PolarHBondContact O-N 3.47Å; G34-T311 PolarHBondContact O-OG1 3.48Å
35G96.1Very high97.1Very high34 Ų3440.9 Ų40.935%0.35123%0.23SC..G310 helixtrans-59.9-23.4-179.700000115D31 F37D31-G35 PolarHBondContact O-N 3.34Å; G35-F37 PolarHBondContact O-N 3.46Å
36E95.2Very high97Very high121 Ų12146.2 Ų46.257%0.56526%0.259SS*.G310 helixtrans-61.8-28.7174.3176.468.6-168.400112.7G34G34-E36 PolarHBondContact O-N 2.74Å; G34-E36 VanDerWaalsContact O-N 3.15Å
37F97.3Very high96.9Very high20 Ų2052.4 Ų52.49%0.08828%0.282CS..G310 helixtrans-113.46-170.9-59.2-73.9000113.7G34 G35 G39 A40 V43 R47 H51 L305 T311G34-F37 PolarHBondContact O-N 3.47Å; G35-F37 PolarHBondContact O-N 3.46Å; F37-G39 PolarHBondContact O-N 3.47Å; F37-A40 VanDerWaalsContact O-CB 3.24Å; F37-A40 WeakPolarHBondContact O-CB 3.49Å; F37-A40 PolarHBondContact O-N 2.98Å; F37-A40 VanDerWaalsContact O-N 3.09Å; F37-V43 HydrophobicContact CB-CG1 4.36Å; F37-V43 HydrophobicContact CB-CG2 4.07Å; F37-V43 HydrophobicContact CD1-CG1 3.54Å; F37-V43 HydrophobicContact CD1-CG2 4.24Å; F37-V43 HydrophobicContact CE1-CG1 3.88Å; F37-V43 HydrophobicContact CG-CG1 3.9Å; F37-V43 HydrophobicContact CG-CG2 4.43Å; F37-R47 HydrophobicContact CE1-CB 4.45Å; F37-H51 HydrophobicContact CE2-CB 3.89Å; F37-H51 AromaticContact CE2-CG 3.81Å; F37-H51 HydrophobicContact CZ-CB 3.72Å; F37-L305 HydrophobicContact CD2-CB 4.43Å; F37-L305 HydrophobicContact CD2-CD2 3.67Å; F37-L305 HydrophobicContact CD2-CG 3.98Å; F37-L305 HydrophobicContact CE2-CD2 3.7Å; F37-L305 HydrophobicContact CE2-CG 4.46Å; F37-T311 HydrophobicContact CB-CG2 4.01Å; F37-T311 PolarHBondContact O-OG1 3.38Å
38E96.6Very high96.9Very high106 Ų10652.2 Ų52.250%0.49528%0.28SS..THydrogen-bonded Turntrans-57.8129.6-175.5-167.4-161152.900111.1A40 T311E38-A40 VanDerWaalsContact C-N 3.26Å; E38-A40 PolarHBondContact O-N 3.45Å; E38-T311 WeakPolarHBondContact CA-OG1 3.32Å; E38-T311 PolarHBondContact N-OG1 3.01Å; E38-T311 VanDerWaalsContact N-OG1 3.11Å
39G95.2Very high96.7Very high60 Ų6053.4 Ų53.462%0.61929%0.286SS*.THydrogen-bonded Turntrans77.30.4179.200000115.2F37 G309F37-G39 PolarHBondContact O-N 3.47Å; G39-G309 PolarHBondContact N-O 2.91Å
40A96.3Very high96.6Very high35 Ų3559.1 Ų59.129%0.28931%0.313SS..  trans-72.7127.2176.400000111.3F37 E38 V43 G308 G309F37-A40 VanDerWaalsContact O-CB 3.24Å; F37-A40 WeakPolarHBondContact O-CB 3.49Å; F37-A40 PolarHBondContact O-N 2.98Å; F37-A40 VanDerWaalsContact O-N 3.09Å; E38-A40 VanDerWaalsContact C-N 3.26Å; E38-A40 PolarHBondContact O-N 3.45Å; A40-V43 HydrophobicContact CB-CG2 3.68Å; A40-G308 WeakPolarHBondContact O-CA 3.49Å; A40-G309 PolarHBondContact O-N 3.1Å
41E92.5Very high96.4Very high178 Ų17860.2 Ų60.283%0.83232%0.318SS*.SBendtrans-66.7-41.4179.3-67.3-177.5174.200112.4
42E95.1Very high96.1Very high174 Ų17460.1 Ų60.181%0.81332%0.318SS*.  trans-127.7128.2178.6-68.6-176.9179.900110
43V97.4Very high95.8Very high9 Ų962.9 Ų62.96%0.05533%0.332CS..  trans-125.292.9177.3-174.30000109.1F37 A40 M45 V48 L305F37-V43 HydrophobicContact CB-CG1 4.36Å; F37-V43 HydrophobicContact CB-CG2 4.07Å; F37-V43 HydrophobicContact CD1-CG1 3.54Å; F37-V43 HydrophobicContact CD1-CG2 4.24Å; F37-V43 HydrophobicContact CE1-CG1 3.88Å; F37-V43 HydrophobicContact CG-CG1 3.9Å; F37-V43 HydrophobicContact CG-CG2 4.43Å; A40-V43 HydrophobicContact CB-CG2 3.68Å; V43-M45 PolarHBondContact O-N 3.16Å; V43-V48 HydrophobicContact CG1-CG2 3.53Å; V43-L305 WeakPolarHBondContact CB-O 3.28Å
44P96.7Very high95.4Very high64 Ų6463.5 Ų63.542%0.41634%0.339SS..  trans-57.4136.6178.7-28.537.5000112.5D46 R47 V48P44-D46 WeakPolarHBondContact CB-OD1 3.42Å; P44-D46 PolarHBondContact O-N 2.94Å; P44-D46 VanDerWaalsContact O-N 3.16Å; P44-R47 HydrophobicContact CB-CG 4.17Å; P44-R47 HydrophobicContact CG-CG 4.43Å; P44-R47 WeakPolarHBondContact O-CB 3.46Å; P44-R47 PolarHBondContact O-N 2.89Å; P44-V48 PolarHBondContact O-N 3.36Å
45M96.6Very high94.9Very high41 Ų4164.2 Ų64.220%0.20234%0.343CS..Hα-helixtrans-57.8-32.8-177.4-176.359.674.400112.6V43 R47 V48 L49 L290 A302 A306V43-M45 PolarHBondContact O-N 3.16Å; M45-R47 VanDerWaalsContact C-N 3.31Å; M45-R47 PolarHBondContact O-N 3.41Å; M45-V48 WeakPolarHBondContact O-CB 3.43Å; M45-V48 PolarHBondContact O-N 3.27Å; M45-V48 HydrophobicContact SD-CB 4.28Å; M45-L49 HydrophobicContact CG-CD1 4.28Å; M45-L49 HydrophobicContact CG-CG 4.3Å; M45-L49 VanDerWaalsContact O-CG 3.29Å; M45-L49 WeakPolarHBondContact O-CG 3.4Å; M45-L49 PolarHBondContact O-N 2.88Å; M45-L49 HydrophobicContact SD-CG 4.37Å; M45-L290 HydrophobicContact CE-CD2 3.86Å; M45-L290 HydrophobicContact CG-CD2 4.34Å; M45-L290 HydrophobicContact SD-CD2 3.51Å; M45-L290 VanDerWaalsContact SD-CD2 3.51Å; M45-A302 HydrophobicContact SD-CB 4.47Å; M45-A306 HydrophobicContact CE-CB 3.37Å; M45-A306 HydrophobicContact SD-CB 4.11Å
46D96.8Very high94.1Very high111 Ų11166.4 Ų66.459%0.59434%0.344SS*.Hα-helixtrans-63.3-35.3175.565.5-50.3000112.6P44 Q50P44-D46 WeakPolarHBondContact CB-OD1 3.42Å; P44-D46 PolarHBondContact O-N 2.94Å; P44-D46 VanDerWaalsContact O-N 3.16Å; D46-Q50 WeakPolarHBondContact O-CB 3.35Å; D46-Q50 PolarHBondContact O-N 3.26Å
47R97.3Very high93.3Very high130 Ų13064.2 Ų64.249%0.49134%0.336SS..Hα-helixtrans-68.4-41.3174-65.7-80.8-73.9169.3-1111.3F37 P44 M45 Q50 H51F37-R47 HydrophobicContact CE1-CB 4.45Å; P44-R47 HydrophobicContact CB-CG 4.17Å; P44-R47 HydrophobicContact CG-CG 4.43Å; P44-R47 WeakPolarHBondContact O-CB 3.46Å; P44-R47 PolarHBondContact O-N 2.89Å; M45-R47 VanDerWaalsContact C-N 3.31Å; M45-R47 PolarHBondContact O-N 3.41Å; R47-Q50 PolarHBondContact O-N 2.94Å; R47-H51 PolarHBondContact O-N 3.42Å
48V97.4Very high91.8Very high0 Ų070.4 Ų70.40%037%0.365CS..Hα-helixtrans-60.2-49.6173.8-179.80000110.5V43 P44 M45 Q50 H51 L52 A302 L305 A306V43-V48 HydrophobicContact CG1-CG2 3.53Å; P44-V48 PolarHBondContact O-N 3.36Å; M45-V48 WeakPolarHBondContact O-CB 3.43Å; M45-V48 PolarHBondContact O-N 3.27Å; M45-V48 HydrophobicContact SD-CB 4.28Å; V48-Q50 VanDerWaalsContact C-N 3.32Å; V48-Q50 PolarHBondContact O-N 3.34Å; V48-H51 WeakPolarHBondContact O-CB 3.47Å; V48-H51 PolarHBondContact O-N 3.16Å; V48-H51 VanDerWaalsContact O-N 3.16Å; V48-L52 HydrophobicContact CG1-CD1 3.96Å; V48-L52 HydrophobicContact CG1-CG 4.3Å; V48-L52 WeakPolarHBondContact O-CG 3.45Å; V48-L52 PolarHBondContact O-N 3.5Å; V48-A302 HydrophobicContact CG1-CB 4.13Å; V48-L305 HydrophobicContact CG1-CB 3.82Å; V48-L305 HydrophobicContact CG1-CD2 4.03Å; V48-L305 HydrophobicContact CG2-CB 3.92Å; V48-A306 HydrophobicContact CG2-CB 4.13Å
49L96.3Very high90.4Very high29 Ų2970.1 Ų70.115%0.15238%0.375CS..Hα-helixtrans-63.5-38.4179-66179.7000111.6M45 H51 N53 L290 P291 Y294M45-L49 HydrophobicContact CG-CD1 4.28Å; M45-L49 HydrophobicContact CG-CG 4.3Å; M45-L49 VanDerWaalsContact O-CG 3.29Å; M45-L49 WeakPolarHBondContact O-CG 3.4Å; M45-L49 PolarHBondContact O-N 2.88Å; M45-L49 HydrophobicContact SD-CG 4.37Å; L49-H51 VanDerWaalsContact C-N 3.34Å; L49-N53 WeakPolarHBondContact O-CB 3.33Å; L49-N53 PolarHBondContact O-N 3.27Å; L49-N53 PolarHBondContact O-ND2 3.22Å; L49-L290 HydrophobicContact CD2-CD2 4.23Å; L49-P291 HydrophobicContact CD2-CG 4.03Å; L49-Y294 HydrophobicContact CD2-CE2 3.86Å
50Q95.3Very high88.6Confident121 Ų12175.3 Ų75.357%0.56538%0.376SS*.Hα-helixtrans-60.7-43.8173.6-174.9-179.828.200111.6D46 R47 V48 G54D46-Q50 WeakPolarHBondContact O-CB 3.35Å; D46-Q50 PolarHBondContact O-N 3.26Å; R47-Q50 PolarHBondContact O-N 2.94Å; V48-Q50 VanDerWaalsContact C-N 3.32Å; V48-Q50 PolarHBondContact O-N 3.34Å; Q50-G54 PolarHBondContact O-N 3.39Å
51H94.5Very high86.7Confident23 Ų2376.3 Ų76.311%0.10639%0.39CS..Hα-helixtrans-61.9-53.3176.9177.683.7000111.3V33 F37 R47 V48 L49 G54 L55V33-H51 PolarHBondContact O-NE2 3.38Å; F37-H51 HydrophobicContact CE2-CB 3.89Å; F37-H51 AromaticContact CE2-CG 3.81Å; F37-H51 HydrophobicContact CZ-CB 3.72Å; R47-H51 PolarHBondContact O-N 3.42Å; V48-H51 WeakPolarHBondContact O-CB 3.47Å; V48-H51 PolarHBondContact O-N 3.16Å; V48-H51 VanDerWaalsContact O-N 3.16Å; L49-H51 VanDerWaalsContact C-N 3.34Å; H51-G54 WeakPolarHBondContact O-CA 3.41Å; H51-G54 PolarHBondContact O-N 3.33Å; H51-L55 PolarHBondContact O-N 3.3Å
52L93.7Very high84.9Confident0 Ų075 Ų750%039%0.389CS..Hα-helixtrans-63.3-44.3-179-65.9178.8000113.3V33 V48 G54 L55 Y294 A302 W335V33-L52 HydrophobicContact CG1-CD2 3.44Å; V33-L52 VanDerWaalsContact CG1-CD2 3.44Å; V48-L52 HydrophobicContact CG1-CD1 3.96Å; V48-L52 HydrophobicContact CG1-CG 4.3Å; V48-L52 WeakPolarHBondContact O-CG 3.45Å; V48-L52 PolarHBondContact O-N 3.5Å; L52-G54 PolarHBondContact O-N 2.63Å; L52-L55 HydrophobicContact CD2-CD1 4.24Å; L52-L55 WeakPolarHBondContact O-CB 3.26Å; L52-L55 PolarHBondContact O-N 3Å; L52-L55 VanDerWaalsContact O-N 3.12Å; L52-Y294 HydrophobicContact CD1-CE2 4.16Å; L52-A302 HydrophobicContact CD1-CB 3.68Å; L52-W335 HydrophobicContact CB-CZ2 4.09Å; L52-W335 HydrophobicContact CD1-CH2 4.1Å; L52-W335 HydrophobicContact CD1-CZ2 4.32Å; L52-W335 HydrophobicContact CD2-CH2 3.78Å; L52-W335 HydrophobicContact CD2-CZ2 3.8Å; L52-W335 HydrophobicContact CD2-CZ3 4.39Å; L52-W335 HydrophobicContact CG-CH2 4.4Å; L52-W335 HydrophobicContact CG-CZ2 4.29Å
53N90.9Very high83.7Confident62 Ų6269.2 Ų69.233%0.33238%0.375SS..Hα-helixtrans-63-32.9174.3-69.5-38.8000111L49 L55 E56 R293L49-N53 WeakPolarHBondContact O-CB 3.33Å; L49-N53 PolarHBondContact O-N 3.27Å; L49-N53 PolarHBondContact O-ND2 3.22Å; N53-L55 PolarHBondContact O-N 3.21Å; N53-E56 WeakPolarHBondContact O-CB 3.27Å; N53-E56 PolarHBondContact O-N 3.21Å; N53-E56 VanDerWaalsContact O-N 3.08Å; N53-R293 PolarHBondContact OD1-NH2 3.35Å
54G88.2Confident83.3Confident15 Ų1573.7 Ų73.716%0.15540%0.398CS..Hα-helixtrans-68.3-16.1176.600000114.2Q50 H51 L52 R60Q50-G54 PolarHBondContact O-N 3.39Å; H51-G54 WeakPolarHBondContact O-CA 3.41Å; H51-G54 PolarHBondContact O-N 3.33Å; L52-G54 PolarHBondContact O-N 2.63Å; G54-R60 VanDerWaalsContact O-CD 3.29Å; G54-R60 WeakPolarHBondContact O-CD 3.39Å; G54-R60 PolarHBondContact O-NH1 3.43Å
55L86.9Confident83.2Confident15 Ų1572.3 Ų72.38%0.07939%0.387CS..Hα-helixtrans-78.1-24.8170.1-53.7178.5000111.7V33 H51 L52 N53 D57 L65 I334 W335V33-L55 HydrophobicContact CG1-CD1 4.36Å; V33-L55 HydrophobicContact CG2-CD1 3.86Å; H51-L55 PolarHBondContact O-N 3.3Å; L52-L55 HydrophobicContact CD2-CD1 4.24Å; L52-L55 WeakPolarHBondContact O-CB 3.26Å; L52-L55 PolarHBondContact O-N 3Å; L52-L55 VanDerWaalsContact O-N 3.12Å; N53-L55 PolarHBondContact O-N 3.21Å; L55-D57 VanDerWaalsContact C-N 3.27Å; L55-L65 HydrophobicContact CD1-CD1 4.38Å; L55-L65 HydrophobicContact CD2-CD1 3.76Å; L55-L65 HydrophobicContact CD2-CG 4.39Å; L55-I334 WeakPolarHBondContact O-CG1 3.31Å; L55-W335 HydrophobicContact CD1-CG 4.32Å
56E80.1Confident83.2Confident81 Ų8177.3 Ų77.338%0.37941%0.41SS..SBendtrans-79.8-11178-58.3-177.6162.300112.3N53 E58 R293 I334N53-E56 WeakPolarHBondContact O-CB 3.27Å; N53-E56 PolarHBondContact O-N 3.21Å; N53-E56 VanDerWaalsContact O-N 3.08Å; E56-E58 PolarHBondContact O-N 3.37Å; E56-R293 IonicContact OE2-NH2 3.2Å; E56-R293 PolarHBondContact OE2-NH2 2.76Å; E56-I334 HydrophobicContact CG-CG2 4.23Å
57D78.1Confident83.3Confident75 Ų7572.5 Ų72.540%0.40138%0.383SS..  trans-8194.1-179.3-173.4-2.5000111.7L55 S59 R60L55-D57 VanDerWaalsContact C-N 3.27Å; D57-S59 VanDerWaalsContact CG-OG 3.3Å; D57-S59 PolarHBondContact O-N 3.01Å; D57-S59 WeakPolarHBondContact OD1-CA 3.24Å; D57-S59 VanDerWaalsContact OD1-CB 3.27Å; D57-S59 WeakPolarHBondContact OD1-CB 3.32Å; D57-S59 PolarHBondContact OD1-N 3.41Å; D57-S59 PolarHBondContact OD1-OG 3.38Å; D57-S59 PolarHBondContact OD2-OG 2.76Å; D57-R60 HydrophobicContact CB-CG 4.2Å; D57-R60 PolarHBondContact O-N 2.54Å; D57-R60 VanDerWaalsContact O-N 3.11Å
58E66.6Low83.3Confident149 Ų14966.9 Ų66.970%0.69636%0.364SS*.G310 helixtrans-61.4-11.5177.1-60.1-168.1151.200113.7E56 I334 R337E56-E58 PolarHBondContact O-N 3.37Å; E58-I334 HydrophobicContact CG-CD1 4.39Å; E58-R337 IonicContact OE1-NH2 3.5Å
59S67.1Low83.4Confident101 Ų10167.7 Ų67.771%0.70637%0.368SS*.G310 helixtrans-85.8-11.9176.978.90000114.3D57 G61D57-S59 VanDerWaalsContact CG-OG 3.3Å; D57-S59 PolarHBondContact O-N 3.01Å; D57-S59 WeakPolarHBondContact OD1-CA 3.24Å; D57-S59 VanDerWaalsContact OD1-CB 3.27Å; D57-S59 WeakPolarHBondContact OD1-CB 3.32Å; D57-S59 PolarHBondContact OD1-N 3.41Å; D57-S59 PolarHBondContact OD1-OG 3.38Å; D57-S59 PolarHBondContact OD2-OG 2.76Å; S59-G61 PolarHBondContact O-N 3.01Å
60R57.5Low83.5Confident168 Ų16866.4 Ų66.463%0.63436%0.361SS*.G310 helixtrans-72.5-2.6179.7-86.7179.2113.8-172.11.8115G54 D57G54-R60 VanDerWaalsContact O-CD 3.29Å; G54-R60 WeakPolarHBondContact O-CD 3.39Å; G54-R60 PolarHBondContact O-NH1 3.43Å; D57-R60 HydrophobicContact CB-CG 4.2Å; D57-R60 PolarHBondContact O-N 2.54Å; D57-R60 VanDerWaalsContact O-N 3.11Å
61G55.3Low83.7Confident56 Ų5660.8 Ų60.858%0.57734%0.335SS*.  trans86.6-167.3-179.200000113.3S59 G63S59-G61 PolarHBondContact O-N 3.01Å; G61-G63 PolarHBondContact O-N 3.17Å; G61-G63 VanDerWaalsContact O-N 3.12Å
62D55.5Low83.9Confident151 Ų15159.7 Ų59.781%0.80733%0.33SS*.SBendtrans-81.534.4-177.259.9-23.3000113.4I64D62-I64 VanDerWaalsContact C-N 3.32Å; D62-I64 PolarHBondContact O-N 3.03Å
63G70Confident84.1Confident52 Ų5259.7 Ų59.754%0.53633%0.331SS..  trans-62.589.2-178.700000111.8G61 L65G61-G63 PolarHBondContact O-N 3.17Å; G61-G63 VanDerWaalsContact O-N 3.12Å; G63-L65 PolarHBondContact O-N 3.25Å
64I88.1Confident84.5Confident103 Ų10357.1 Ų57.153%0.52832%0.317SS..PPolyproline II helixtrans-78.1117174.2-63.6175.6000107.8D62 Q66 C338 E340D62-I64 VanDerWaalsContact C-N 3.32Å; D62-I64 PolarHBondContact O-N 3.03Å; I64-Q66 PolarHBondContact O-N 3.47Å; I64-C338 CarbonylContact C-O 3.56Å; I64-C338 WeakPolarHBondContact CA-O 3.4Å; I64-E340 HydrophobicContact CG2-CB 3.81Å
65L94.6Very high85Confident35 Ų3559.3 Ų59.318%0.18332%0.321CS..BIsolated β-bridgetrans-67123.6165.9-59.6179.2000108.6C32 V33 L55 G63 C338 E340C32-L65 HydrophobicContact CB-CB 3.83Å; C32-L65 HydrophobicContact CB-CD1 4.49Å; V33-L65 HydrophobicContact CB-CD1 4.49Å; V33-L65 HydrophobicContact CG2-CD1 3.79Å; L55-L65 HydrophobicContact CD1-CD1 4.38Å; L55-L65 HydrophobicContact CD2-CD1 3.76Å; L55-L65 HydrophobicContact CD2-CG 4.39Å; G63-L65 PolarHBondContact O-N 3.25Å; L65-C338 WeakPolarHBondContact CB-O 3.36Å; L65-C338 PolarHBondContact N-O 2.88Å; L65-E340 WeakPolarHBondContact O-CB 3.48Å; L65-E340 PolarHBondContact O-N 3.07Å
66Q96.8Very high85.6Confident146 Ų14658.7 Ų58.768%0.68232%0.318SS*.PPolyproline II helixtrans-81.3142.2178.9-65-169.7-25.100110I64 E340I64-Q66 PolarHBondContact O-N 3.47Å; Q66-E340 WeakPolarHBondContact CA-OE2 3.2Å
67Y98.5Very high86.5Confident11 Ų1154.9 Ų54.94%0.04330%0.299CS..PPolyproline II helixtrans-79.3156.6173.270.2-114.3000111.4T71 A72 R75 R106 E340Y67-T71 HydrophobicContact CD1-CG2 3.86Å; Y67-T71 HydrophobicContact CD2-CG2 3.91Å; Y67-T71 HydrophobicContact CE1-CG2 4.44Å; Y67-T71 HydrophobicContact CE2-CG2 4.5Å; Y67-T71 HydrophobicContact CG-CG2 3.6Å; Y67-A72 HydrophobicContact CD2-CB 4.41Å; Y67-A72 HydrophobicContact CE2-CB 3.86Å; Y67-R75 PolarHBondContact OH-NH1 2.94Å; Y67-R106 HydrophobicContact CE2-CG 4.46Å; Y67-R106 VanDerWaalsContact CZ-CZ 3.45Å; Y67-R106 WeakPolarHBondContact O-CD 3.5Å; Y67-R106 PolarHBondContact O-NH1 3.21Å; Y67-R106 PolarHBondContact OH-NH2 2.86Å; Y67-E340 HydrophobicContact CD1-CB 3.77Å; Y67-E340 VanDerWaalsContact CD1-CD 3.47Å; Y67-E340 HydrophobicContact CD1-CG 3.54Å; Y67-E340 WeakPolarHBondContact CD1-O 3.32Å; Y67-E340 HydrophobicContact CE1-CB 4.38Å; Y67-E340 HydrophobicContact CE1-CG 3.63Å; Y67-E340 VanDerWaalsContact CE1-OE1 3.32Å; Y67-E340 WeakPolarHBondContact CE1-OE1 3.24Å; Y67-E340 PolarHBondContact N-OE2 2.91Å
68S98.7Very high87.5Confident12 Ų1251.4 Ų51.48%0.08428%0.281CS..  trans-97.7-163.7178.585.20000113.3D31 D70 A72 R106 D312D31-S68 VanDerWaalsContact CG-N 3.34Å; D31-S68 VanDerWaalsContact OD1-CB 3.3Å; D31-S68 WeakPolarHBondContact OD1-CB 3.47Å; D31-S68 PolarHBondContact OD1-N 3.41Å; D31-S68 PolarHBondContact OD1-OG 2.92Å; D31-S68 VanDerWaalsContact OD1-OG 3.08Å; D31-S68 PolarHBondContact OD2-N 3.48Å; D31-S68 VanDerWaalsContact OD2-N 3.11Å; S68-D70 PolarHBondContact O-N 2.99Å; S68-D70 PolarHBondContact OG-N 3.28Å; S68-D70 PolarHBondContact OG-OD1 2.88Å; S68-A72 WeakPolarHBondContact O-CB 3.21Å; S68-A72 PolarHBondContact O-N 3.32Å; S68-R106 CarbonylContact C-O 3.52Å; S68-R106 WeakPolarHBondContact CA-O 3.37Å; S68-R106 WeakPolarHBondContact CB-O 3.38Å; S68-D312 PolarHBondContact OG-OD2 2.7Å; S68-D312 VanDerWaalsContact OG-OD2 3.06Å
69D98.8Very high89Confident17 Ų1747.6 Ų47.69%0.09126%0.263CS..Hα-helixtrans-66.1-21.2176.457.5-64.6000113.1A72 M73 R106 G107 Y108 M147D69-A72 PolarHBondContact O-N 2.96Å; D69-M73 WeakPolarHBondContact O-CB 3.32Å; D69-M73 WeakPolarHBondContact O-CG 3.27Å; D69-M73 PolarHBondContact O-N 3.14Å; D69-R106 HydrophobicContact CB-CB 4.45Å; D69-R106 PolarHBondContact N-O 2.87Å; D69-G107 WeakPolarHBondContact OD1-CA 3.45Å; D69-Y108 HydrophobicContact CB-CD1 3.4Å; D69-Y108 VanDerWaalsContact CB-CD1 3.4Å; D69-Y108 HydrophobicContact CB-CD2 4.17Å; D69-Y108 HydrophobicContact CB-CE1 3.44Å; D69-Y108 VanDerWaalsContact CB-CE1 3.44Å; D69-Y108 HydrophobicContact CB-CE2 4.21Å; D69-Y108 HydrophobicContact CB-CG 3.79Å; D69-Y108 PolarHBondContact OD1-N 2.88Å; D69-Y108 WeakPolarHBondContact OD2-CA 3.02Å; D69-M147 HydrophobicContact CB-CE 4.32Å; D69-M147 WeakPolarHBondContact OD2-CE 3.2Å
70D98.9Very high90.5Very high1 Ų142.8 Ų42.81%0.00523%0.23CC..Hα-helixtrans-49.4-63.1170.5-79.250000111.9D31 S68 T74 M147 T313 C316D31-D70 HydrophobicContact CB-CB 4.03Å; D31-D70 WeakPolarHBondContact OD2-CB 3.46Å; S68-D70 PolarHBondContact O-N 2.99Å; S68-D70 PolarHBondContact OG-N 3.28Å; S68-D70 PolarHBondContact OG-OD1 2.88Å; D70-T74 VanDerWaalsContact O-CB 3.28Å; D70-T74 WeakPolarHBondContact O-CB 3.41Å; D70-T74 PolarHBondContact O-N 2.72Å; D70-T74 PolarHBondContact O-OG1 3.48Å; D70-M147 HydrophobicContact CB-CG 4.47Å; D70-M147 HydrophobicContact CB-SD 4.41Å; D70-M147 WeakPolarHBondContact OD2-CB 3.45Å; D70-T313 PolarHBondContact OD1-OG1 2.89Å; D70-T313 VanDerWaalsContact OD2-CA 3.29Å; D70-T313 WeakPolarHBondContact OD2-CA 3.14Å; D70-T313 PolarHBondContact OD2-OG1 3.31Å; D70-C316 WeakPolarHBondContact OD2-CB 3.47Å
71T98.9Very high92.5Very high3 Ų334.8 Ų34.82%0.01820%0.199CC..Hα-helixtrans-70.1-38.7178.1-65.60000111.5V28 D31 Y67 M73 T74 R75V28-T71 HydrophobicContact CG1-CG2 4.27Å; V28-T71 HydrophobicContact CG2-CG2 3.77Å; D31-T71 WeakPolarHBondContact OD2-CB 3.27Å; D31-T71 PolarHBondContact OD2-N 3.3Å; D31-T71 PolarHBondContact OD2-OG1 2.9Å; Y67-T71 HydrophobicContact CD1-CG2 3.86Å; Y67-T71 HydrophobicContact CD2-CG2 3.91Å; Y67-T71 HydrophobicContact CE1-CG2 4.44Å; Y67-T71 HydrophobicContact CE2-CG2 4.5Å; Y67-T71 HydrophobicContact CG-CG2 3.6Å; T71-M73 VanDerWaalsContact C-N 3.29Å; T71-M73 PolarHBondContact O-N 3.27Å; T71-T74 PolarHBondContact O-N 3.35Å; T71-R75 HydrophobicContact CG2-CG 4.17Å; T71-R75 VanDerWaalsContact O-CG 3.29Å; T71-R75 WeakPolarHBondContact O-CG 3.1Å; T71-R75 PolarHBondContact O-N 3.47Å
72A98.9Very high94.6Very high0 Ų033.4 Ų33.40%018%0.179CC..Hα-helixtrans-56.8-46179.300000111.3Y67 S68 D69 C76 E99 R106Y67-A72 HydrophobicContact CD2-CB 4.41Å; Y67-A72 HydrophobicContact CE2-CB 3.86Å; S68-A72 WeakPolarHBondContact O-CB 3.21Å; S68-A72 PolarHBondContact O-N 3.32Å; D69-A72 PolarHBondContact O-N 2.96Å; A72-C76 PolarHBondContact O-N 3.2Å; A72-C76 PolarHBondContact O-SG 3.38Å; A72-C76 VanDerWaalsContact O-SG 3.36Å; A72-E99 HydrophobicContact CB-CG 4.06Å; A72-R106 HydrophobicContact CB-CG 4.43Å
73M98.9Very high96.6Very high1 Ų130.2 Ų30.21%0.00517%0.165CC..Hα-helixtrans-74.5-37.2178.9-62.8-99.565.800112D69 T71 R75 C76 V77 F96 Y108 M147 R148D69-M73 WeakPolarHBondContact O-CB 3.32Å; D69-M73 WeakPolarHBondContact O-CG 3.27Å; D69-M73 PolarHBondContact O-N 3.14Å; T71-M73 VanDerWaalsContact C-N 3.29Å; T71-M73 PolarHBondContact O-N 3.27Å; M73-R75 VanDerWaalsContact C-N 3.34Å; M73-R75 PolarHBondContact O-N 3.19Å; M73-C76 VanDerWaalsContact O-CB 3.32Å; M73-C76 WeakPolarHBondContact O-CB 3.42Å; M73-C76 PolarHBondContact O-N 2.91Å; M73-C76 VanDerWaalsContact O-N 3.14Å; M73-V77 WeakPolarHBondContact O-CG2 3.47Å; M73-V77 PolarHBondContact O-N 3.39Å; M73-V77 VanDerWaalsContact O-N 3.08Å; M73-F96 HydrophobicContact CE-CB 3.62Å; M73-F96 HydrophobicContact CE-CD1 3.15Å; M73-F96 HydrophobicContact CE-CD2 4.22Å; M73-F96 HydrophobicContact CE-CE1 3.77Å; M73-F96 HydrophobicContact CE-CG 3.41Å; M73-F96 VanDerWaalsContact CE-CG 3.41Å; M73-F96 HydrophobicContact SD-CD1 4.42Å; M73-F96 HydrophobicContact SD-CG 4.42Å; M73-Y108 HydrophobicContact CG-CE1 3.82Å; M73-Y108 HydrophobicContact SD-CE1 3.9Å; M73-M147 HydrophobicContact CB-CE 4.06Å; M73-M147 HydrophobicContact CG-CE 3.75Å; M73-R148 HydrophobicContact CB-CB 4.2Å; M73-R148 VanDerWaalsContact CB-CD 3.49Å; M73-R148 HydrophobicContact CB-CG 4.47Å
74T98.9Very high98Very high7 Ų734.1 Ų34.14%0.04316%0.163CC..Hα-helixtrans-58-45.9173.6-65.80000111.2L24 D70 T71 C76 V77 V78 R148 P151L24-T74 HydrophobicContact CD1-CG2 3.71Å; D70-T74 VanDerWaalsContact O-CB 3.28Å; D70-T74 WeakPolarHBondContact O-CB 3.41Å; D70-T74 PolarHBondContact O-N 2.72Å; D70-T74 PolarHBondContact O-OG1 3.48Å; T71-T74 PolarHBondContact O-N 3.35Å; T74-C76 VanDerWaalsContact C-N 3.26Å; T74-C76 PolarHBondContact O-N 3.41Å; T74-V77 PolarHBondContact O-N 3.18Å; T74-V77 VanDerWaalsContact O-N 3.1Å; T74-V78 HydrophobicContact CG2-CG2 4.27Å; T74-V78 VanDerWaalsContact O-CG2 3.29Å; T74-V78 WeakPolarHBondContact O-CG2 3.33Å; T74-V78 PolarHBondContact O-N 3.37Å; T74-R148 WeakPolarHBondContact OG1-CA 3.43Å; T74-P151 HydrophobicContact CG2-CG 3.79Å
75R98.9Very high98.4Very high62 Ų6232.7 Ų32.723%0.23417%0.167CC..Hα-helixtrans-57.2-39.3175.3-71.1172.478.7-155.45.2111.7Y67 T71 M73 Q79 D344Y67-R75 PolarHBondContact OH-NH1 2.94Å; T71-R75 HydrophobicContact CG2-CG 4.17Å; T71-R75 VanDerWaalsContact O-CG 3.29Å; T71-R75 WeakPolarHBondContact O-CG 3.1Å; T71-R75 PolarHBondContact O-N 3.47Å; M73-R75 VanDerWaalsContact C-N 3.34Å; M73-R75 PolarHBondContact O-N 3.19Å; R75-Q79 WeakPolarHBondContact O-CB 3.47Å; R75-Q79 WeakPolarHBondContact O-CG 3.21Å; R75-Q79 PolarHBondContact O-N 3.35Å; R75-D344 IonicContact CZ-OD2 2.82Å; R75-D344 IonicContact NE-OD2 3.31Å; R75-D344 IonicContact NH2-OD2 3.67Å; R75-D344 PolarHBondContact NH2-OD2 3.33Å
76C98.9Very high98.4Very high2 Ų231.8 Ų31.81%0.01417%0.166CC..Hα-helixtrans-63.2-44.6175.4-66.50000112.7A72 M73 T74 Q79 S80 R95 F96 E99A72-C76 PolarHBondContact O-N 3.2Å; A72-C76 PolarHBondContact O-SG 3.38Å; A72-C76 VanDerWaalsContact O-SG 3.36Å; M73-C76 VanDerWaalsContact O-CB 3.32Å; M73-C76 WeakPolarHBondContact O-CB 3.42Å; M73-C76 PolarHBondContact O-N 2.91Å; M73-C76 VanDerWaalsContact O-N 3.14Å; T74-C76 VanDerWaalsContact C-N 3.26Å; T74-C76 PolarHBondContact O-N 3.41Å; C76-Q79 PolarHBondContact O-N 3.02Å; C76-S80 WeakPolarHBondContact O-CB 3.17Å; C76-S80 PolarHBondContact O-N 3.03Å; C76-R95 HydrophobicContact CB-CB 3.98Å; C76-F96 HydrophobicContact CB-CD1 3.44Å; C76-F96 VanDerWaalsContact CB-CD1 3.44Å; C76-F96 HydrophobicContact CB-CE1 3.57Å; C76-E99 WeakPolarHBondContact SG-CB 3.48Å
77V98.9Very high98.5Very high0 Ų026.4 Ų26.40%014%0.14CC..Hα-helixtrans-60.5-51.7177.3177.20000109.9M73 T74 Q79 S80 L81 M92 F96 R148 P151 F152M73-V77 WeakPolarHBondContact O-CG2 3.47Å; M73-V77 PolarHBondContact O-N 3.39Å; M73-V77 VanDerWaalsContact O-N 3.08Å; T74-V77 PolarHBondContact O-N 3.18Å; T74-V77 VanDerWaalsContact O-N 3.1Å; V77-Q79 PolarHBondContact O-N 2.94Å; V77-S80 WeakPolarHBondContact O-CB 3.36Å; V77-S80 PolarHBondContact O-N 3.25Å; V77-L81 HydrophobicContact CG1-CD1 3.74Å; V77-L81 HydrophobicContact CG1-CG 4.37Å; V77-L81 WeakPolarHBondContact O-CG 3.34Å; V77-L81 PolarHBondContact O-N 3.48Å; V77-M92 HydrophobicContact CB-CE 4.46Å; V77-M92 HydrophobicContact CG1-CE 3.95Å; V77-M92 HydrophobicContact CG1-SD 4.47Å; V77-M92 HydrophobicContact CG2-SD 4.1Å; V77-F96 HydrophobicContact CG2-CE1 3.82Å; V77-F96 HydrophobicContact CG2-CZ 3.77Å; V77-R148 HydrophobicContact CG2-CB 4.24Å; V77-R148 HydrophobicContact CG2-CG 4.18Å; V77-P151 HydrophobicContact CB-CG 4.37Å; V77-P151 HydrophobicContact CG1-CB 3.8Å; V77-P151 HydrophobicContact CG1-CG 4.11Å; V77-F152 HydrophobicContact CG1-CD2 4.46Å; V77-F152 HydrophobicContact CG1-CE1 4.15Å; V77-F152 HydrophobicContact CG1-CE2 3.83Å; V77-F152 HydrophobicContact CG1-CZ 3.65Å
78V98.9Very high98.5Very high3 Ų327.4 Ų27.42%0.01815%0.147CC..Hα-helixtrans-55.7-50.5178.6171.50000111.3L24 T74 S80 L81 L82 P151 N348 L352L24-V78 HydrophobicContact CD1-CG2 4.19Å; L24-V78 HydrophobicContact CD2-CG2 4.04Å; T74-V78 HydrophobicContact CG2-CG2 4.27Å; T74-V78 VanDerWaalsContact O-CG2 3.29Å; T74-V78 WeakPolarHBondContact O-CG2 3.33Å; T74-V78 PolarHBondContact O-N 3.37Å; V78-S80 VanDerWaalsContact C-N 3.32Å; V78-S80 PolarHBondContact O-N 2.83Å; V78-L81 PolarHBondContact O-N 2.98Å; V78-L82 HydrophobicContact CG1-CD1 3.78Å; V78-L82 HydrophobicContact CG1-CG 4.43Å; V78-L82 WeakPolarHBondContact O-CB 3.41Å; V78-L82 VanDerWaalsContact O-CG 3.28Å; V78-L82 WeakPolarHBondContact O-CG 3.49Å; V78-L82 PolarHBondContact O-N 3.16Å; V78-P151 HydrophobicContact CG2-CB 3.76Å; V78-P151 HydrophobicContact CG2-CG 3.49Å; V78-P151 VanDerWaalsContact CG2-CG 3.49Å; V78-N348 HydrophobicContact CG1-CB 3.55Å; V78-L352 HydrophobicContact CG1-CD1 4.07Å; V78-L352 HydrophobicContact CG1-CG 4.4Å; V78-L352 HydrophobicContact CG2-CD1 4.11Å
79Q98.9Very high98.5Very high68 Ų6830.2 Ų30.232%0.31816%0.159SC..Hα-helixtrans-64.3-36.8-179.4-71.6174.412.100112.5R75 C76 V77 T83R75-Q79 WeakPolarHBondContact O-CB 3.47Å; R75-Q79 WeakPolarHBondContact O-CG 3.21Å; R75-Q79 PolarHBondContact O-N 3.35Å; C76-Q79 PolarHBondContact O-N 3.02Å; V77-Q79 PolarHBondContact O-N 2.94Å; Q79-T83 VanDerWaalsContact O-CB 3.22Å; Q79-T83 WeakPolarHBondContact O-CB 3.44Å; Q79-T83 PolarHBondContact O-N 3.22Å; Q79-T83 PolarHBondContact O-OG1 3.49Å
80S98.9Very high98.5Very high0 Ų031.7 Ų31.70%017%0.165CC..Hα-helixtrans-62.3-52.5175.3-168.60000110.6C76 V77 V78 L82 T83 R84 D91 M92C76-S80 WeakPolarHBondContact O-CB 3.17Å; C76-S80 PolarHBondContact O-N 3.03Å; V77-S80 WeakPolarHBondContact O-CB 3.36Å; V77-S80 PolarHBondContact O-N 3.25Å; V78-S80 VanDerWaalsContact C-N 3.32Å; V78-S80 PolarHBondContact O-N 2.83Å; S80-L82 VanDerWaalsContact C-N 3.31Å; S80-L82 PolarHBondContact O-N 3.11Å; S80-T83 PolarHBondContact O-N 2.72Å; S80-R84 WeakPolarHBondContact O-CB 3.34Å; S80-R84 VanDerWaalsContact O-CG 3.25Å; S80-R84 WeakPolarHBondContact O-CG 3.43Å; S80-R84 PolarHBondContact O-N 3.24Å; S80-D91 WeakPolarHBondContact CA-OD2 3.31Å; S80-D91 PolarHBondContact OG-OD2 3.27Å; S80-M92 PolarHBondContact OG-N 3.16Å
81L98.8Very high98.5Very high0 Ų033 Ų330%017%0.172CC..Hα-helixtrans-58.3-44.1-179.4-67.8167.7000111.5V77 V78 A85 G86 M92 P151 F152 A155 F156 L352V77-L81 HydrophobicContact CG1-CD1 3.74Å; V77-L81 HydrophobicContact CG1-CG 4.37Å; V77-L81 WeakPolarHBondContact O-CG 3.34Å; V77-L81 PolarHBondContact O-N 3.48Å; V78-L81 PolarHBondContact O-N 2.98Å; L81-A85 VanDerWaalsContact O-CA 3.25Å; L81-A85 WeakPolarHBondContact O-CA 3.39Å; L81-A85 PolarHBondContact O-N 3.37Å; L81-G86 PolarHBondContact O-N 2.96Å; L81-M92 HydrophobicContact CG-CE 4.46Å; L81-P151 HydrophobicContact CD1-CB 3.89Å; L81-F152 HydrophobicContact CD1-CD1 4.36Å; L81-F152 HydrophobicContact CD2-CD1 4.45Å; L81-F152 HydrophobicContact CD2-CE1 4.4Å; L81-A155 HydrophobicContact CB-CB 4.39Å; L81-A155 HydrophobicContact CD1-CB 3.85Å; L81-A155 HydrophobicContact CD2-CB 4.28Å; L81-A155 HydrophobicContact CG-CB 4.4Å; L81-F156 HydrophobicContact CD2-CE2 3.74Å; L81-F156 HydrophobicContact CD2-CZ 3.94Å; L81-L352 HydrophobicContact CB-CD2 4.46Å
82L98.6Very high98.5Very high28 Ų2832.9 Ų32.915%0.14717%0.171CC..Hα-helixtrans-69.6-39.3178.6-69175.7000113.2V78 S80 N348 R351 L352 L355V78-L82 HydrophobicContact CG1-CD1 3.78Å; V78-L82 HydrophobicContact CG1-CG 4.43Å; V78-L82 WeakPolarHBondContact O-CB 3.41Å; V78-L82 VanDerWaalsContact O-CG 3.28Å; V78-L82 WeakPolarHBondContact O-CG 3.49Å; V78-L82 PolarHBondContact O-N 3.16Å; S80-L82 VanDerWaalsContact C-N 3.31Å; S80-L82 PolarHBondContact O-N 3.11Å; L82-N348 HydrophobicContact CD1-CB 4.26Å; L82-R351 HydrophobicContact CD1-CB 3.8Å; L82-R351 HydrophobicContact CD2-CB 3.7Å; L82-R351 HydrophobicContact CG-CB 4.43Å; L82-L352 HydrophobicContact CD2-CD2 3.85Å; L82-L352 HydrophobicContact CD2-CG 4.12Å; L82-L352 HydrophobicContact CG-CD2 4.05Å; L82-L352 HydrophobicContact CG-CG 4.39Å; L82-L355 HydrophobicContact CD2-CB 4.45Å; L82-L355 HydrophobicContact CD2-CD2 4.33Å
83T98.5Very high98.5Very high84 Ų8432.9 Ų32.952%0.51517%0.171SC..Hα-helixtrans-72.3-34.6-178.8-57.30000111.5Q79 S80 R95Q79-T83 VanDerWaalsContact O-CB 3.22Å; Q79-T83 WeakPolarHBondContact O-CB 3.44Å; Q79-T83 PolarHBondContact O-N 3.22Å; Q79-T83 PolarHBondContact O-OG1 3.49Å; S80-T83 PolarHBondContact O-N 2.72Å; T83-R95 VanDerWaalsContact CB-NH2 3.32Å; T83-R95 PolarHBondContact OG1-NH2 2.8Å
84R98.2Very high98.5Very high133 Ų13339.6 Ų39.650%0.50220%0.197SC..Hα-helixtrans-96.9-7.3-175.4-53.5-60.1-67.4150.8-1.4112.7S80 G86 D88 D91S80-R84 WeakPolarHBondContact O-CB 3.34Å; S80-R84 VanDerWaalsContact O-CG 3.25Å; S80-R84 WeakPolarHBondContact O-CG 3.43Å; S80-R84 PolarHBondContact O-N 3.24Å; R84-G86 PolarHBondContact O-N 2.92Å; R84-D88 HydrophobicContact CB-CB 4.11Å; R84-D88 HydrophobicContact CG-CB 3.81Å; R84-D88 IonicContact CZ-OD2 3.65Å; R84-D88 IonicContact NE-OD2 3.22Å; R84-D88 PolarHBondContact NE-OD2 3.45Å; R84-D88 IonicContact NH2-OD2 3.89Å; R84-D88 PolarHBondContact NH2-OD2 3.49Å; R84-D91 HydrophobicContact CG-CB 3.91Å
85A96.4Very high98.4Very high73 Ų7341.7 Ų41.760%0.60320%0.204SC*.THydrogen-bonded Turntrans50.340.5-17300000112.1L81 L355L81-A85 VanDerWaalsContact O-CA 3.25Å; L81-A85 WeakPolarHBondContact O-CA 3.39Å; L81-A85 PolarHBondContact O-N 3.37Å; A85-L355 HydrophobicContact CB-CD1 4.02Å
86G96.2Very high98.4Very high16 Ų1638.7 Ų38.717%0.16519%0.192CC..SBendtrans157.4-172.4-170.400000111.9L81 R84L81-G86 PolarHBondContact O-N 2.96Å; R84-G86 PolarHBondContact O-N 2.92Å
87F98.3Very high98.4Very high33 Ų3338.8 Ų38.815%0.14519%0.193CC..  trans-87.4132178.5-178.4-99.5000111.6E89 M92 F152 F156 Y165 L168F87-E89 HydrophobicContact CE1-CB 3.8Å; F87-E89 HydrophobicContact CZ-CB 3.86Å; F87-M92 HydrophobicContact CD2-CE 3.92Å; F87-M92 HydrophobicContact CE2-CE 3.87Å; F87-M92 HydrophobicContact CE2-SD 4.05Å; F87-F152 AromaticContact CD2-CE1 3.94Å; F87-F152 HydrophobicContact CD2-CE1 3.94Å; F87-F152 HydrophobicContact CE2-CE1 4.17Å; F87-F156 HydrophobicContact CB-CZ 4.12Å; F87-Y165 HydrophobicContact CB-CD1 3.33Å; F87-Y165 HydrophobicContact CB-CD2 4.25Å; F87-Y165 HydrophobicContact CB-CE1 3.7Å; F87-Y165 HydrophobicContact CB-CG 3.65Å; F87-Y165 AromaticContact CD1-CD1 3.51Å; F87-Y165 HydrophobicContact CD1-CD1 3.51Å; F87-Y165 AromaticContact CD1-CE1 3.97Å; F87-Y165 HydrophobicContact CD1-CE1 3.97Å; F87-Y165 HydrophobicContact CD1-CG 4.46Å; F87-Y165 HydrophobicContact CD2-CD1 4.21Å; F87-Y165 HydrophobicContact CD2-CG 4.42Å; F87-Y165 HydrophobicContact CE1-CD1 4.37Å; F87-Y165 AromaticContact CG-CD1 3.4Å; F87-Y165 HydrophobicContact CG-CD1 3.4Å; F87-Y165 VanDerWaalsContact CG-CD1 3.4Å; F87-Y165 HydrophobicContact CG-CE1 4.08Å; F87-Y165 AromaticContact CG-CG 3.93Å; F87-Y165 HydrophobicContact CG-CG 3.93Å; F87-L168 HydrophobicContact CD1-CD1 4.33Å; F87-L168 HydrophobicContact CE1-CB 3.63Å; F87-L168 HydrophobicContact CE1-CD1 3.84Å; F87-L168 HydrophobicContact CE1-CG 4.37Å; F87-L168 HydrophobicContact CE2-CB 4.26Å; F87-L168 HydrophobicContact CZ-CB 3.42Å; F87-L168 VanDerWaalsContact CZ-CB 3.42Å
88D98.6Very high98.4Very high33 Ų3346.5 Ų46.518%0.17623%0.227CC..  trans-142.8106.5173.2-176.2-45.3000107.8R84 Q90 D91 M92R84-D88 HydrophobicContact CB-CB 4.11Å; R84-D88 HydrophobicContact CG-CB 3.81Å; R84-D88 IonicContact CZ-OD2 3.65Å; R84-D88 IonicContact NE-OD2 3.22Å; R84-D88 PolarHBondContact NE-OD2 3.45Å; R84-D88 IonicContact NH2-OD2 3.89Å; R84-D88 PolarHBondContact NH2-OD2 3.49Å; D88-Q90 PolarHBondContact O-N 2.72Å; D88-Q90 WeakPolarHBondContact OD1-CB 3.18Å; D88-Q90 PolarHBondContact OD1-N 3.12Å; D88-D91 HydrophobicContact CB-CB 4.06Å; D88-D91 PolarHBondContact O-N 3.44Å; D88-D91 PolarHBondContact OD1-N 3.46Å; D88-M92 WeakPolarHBondContact O-CB 3.29Å; D88-M92 PolarHBondContact O-N 3.48Å
89E98.6Very high98.4Very high71 Ų7147.7 Ų47.733%0.33223%0.232SC..Hα-helixtrans-63.2-30-175.363.6-85.2-163.600112.8F87 A93 V127 F128 L172F87-E89 HydrophobicContact CE1-CB 3.8Å; F87-E89 HydrophobicContact CZ-CB 3.86Å; E89-A93 WeakPolarHBondContact O-CB 3.17Å; E89-A93 PolarHBondContact O-N 3.45Å; E89-V127 HydrophobicContact CB-CG2 4.08Å; E89-V127 HydrophobicContact CG-CG2 3.81Å; E89-F128 HydrophobicContact CB-CE1 4.48Å; E89-F128 HydrophobicContact CB-CE2 4.16Å; E89-F128 HydrophobicContact CB-CZ 3.67Å; E89-F128 HydrophobicContact CG-CE2 3.87Å; E89-F128 HydrophobicContact CG-CZ 3.91Å; E89-L172 HydrophobicContact CB-CD2 4.29Å
90Q98.3Very high98.4Very high47 Ų4745.3 Ų45.322%0.2222%0.221CC..Hα-helixtrans-75.7-44-178.1-66.6-74.6-15.300110.8D88 R94 N125D88-Q90 PolarHBondContact O-N 2.72Å; D88-Q90 WeakPolarHBondContact OD1-CB 3.18Å; D88-Q90 PolarHBondContact OD1-N 3.12Å; Q90-R94 VanDerWaalsContact O-CG 3.26Å; Q90-R94 WeakPolarHBondContact O-CG 3.42Å; Q90-R94 PolarHBondContact O-N 3.19Å; Q90-R94 VanDerWaalsContact O-N 3.15Å; Q90-N125 PolarHBondContact NE2-O 3.3Å
91D98.7Very high98.3Very high29 Ų2949.2 Ų49.216%0.15525%0.248CC..Hα-helixtrans-62.5-46.8174.5-170.263.9000110.8S80 R84 D88 A93 R94 R95S80-D91 WeakPolarHBondContact CA-OD2 3.31Å; S80-D91 PolarHBondContact OG-OD2 3.27Å; R84-D91 HydrophobicContact CG-CB 3.91Å; D88-D91 HydrophobicContact CB-CB 4.06Å; D88-D91 PolarHBondContact O-N 3.44Å; D88-D91 PolarHBondContact OD1-N 3.46Å; D91-A93 PolarHBondContact O-N 3.4Å; D91-R94 PolarHBondContact O-N 2.9Å; D91-R95 WeakPolarHBondContact O-CG 3.5Å; D91-R95 PolarHBondContact O-N 3.15Å; D91-R95 IonicContact OD1-NE 3.42Å; D91-R95 IonicContact OD1-NH2 3.62Å; D91-R95 IonicContact OD2-CZ 2.72Å; D91-R95 IonicContact OD2-NE 3.72Å; D91-R95 PolarHBondContact OD2-NE 3.12Å; D91-R95 IonicContact OD2-NH2 3.65Å; D91-R95 PolarHBondContact OD2-NH2 2.88Å
92M98.8Very high98.3Very high0 Ų056.6 Ų56.60%028%0.282CS..Hα-helixtrans-63-45.7-179-168.1173.8-65.500112V77 S80 L81 F87 D88 R94 R95 F96 F152 L172V77-M92 HydrophobicContact CB-CE 4.46Å; V77-M92 HydrophobicContact CG1-CE 3.95Å; V77-M92 HydrophobicContact CG1-SD 4.47Å; V77-M92 HydrophobicContact CG2-SD 4.1Å; S80-M92 PolarHBondContact OG-N 3.16Å; L81-M92 HydrophobicContact CG-CE 4.46Å; F87-M92 HydrophobicContact CD2-CE 3.92Å; F87-M92 HydrophobicContact CE2-CE 3.87Å; F87-M92 HydrophobicContact CE2-SD 4.05Å; D88-M92 WeakPolarHBondContact O-CB 3.29Å; D88-M92 PolarHBondContact O-N 3.48Å; M92-R94 PolarHBondContact O-N 3.03Å; M92-R95 PolarHBondContact O-N 3.45Å; M92-F96 HydrophobicContact CG-CD1 4.4Å; M92-F96 HydrophobicContact CG-CE1 3.76Å; M92-F96 HydrophobicContact CG-CE2 4.05Å; M92-F96 HydrophobicContact CG-CZ 3.55Å; M92-F96 WeakPolarHBondContact O-CD1 3.47Å; M92-F96 WeakPolarHBondContact O-CG 3.32Å; M92-F96 PolarHBondContact O-N 3.31Å; M92-F96 HydrophobicContact SD-CE2 4.48Å; M92-F96 HydrophobicContact SD-CZ 3.89Å; M92-F152 HydrophobicContact CE-CE1 3.97Å; M92-F152 HydrophobicContact CE-CZ 3.94Å; M92-F152 HydrophobicContact SD-CZ 4.03Å; M92-L172 HydrophobicContact CB-CD1 3.84Å; M92-L172 HydrophobicContact CG-CD1 3.77Å; M92-L172 HydrophobicContact SD-CD1 3.96Å
93A98.8Very high98.2Very high1 Ų156.4 Ų56.41%0.00828%0.283CS..Hα-helixtrans-58.5-43.6175.700000113.1E89 D91 R95 F96 A97 L119 V127 L172E89-A93 WeakPolarHBondContact O-CB 3.17Å; E89-A93 PolarHBondContact O-N 3.45Å; D91-A93 PolarHBondContact O-N 3.4Å; A93-R95 VanDerWaalsContact C-N 3.34Å; A93-F96 WeakPolarHBondContact O-CB 3.33Å; A93-F96 PolarHBondContact O-N 2.99Å; A93-A97 PolarHBondContact O-N 3.32Å; A93-A97 VanDerWaalsContact O-N 3.09Å; A93-L119 HydrophobicContact CB-CD1 4.43Å; A93-L119 HydrophobicContact CB-CD2 4.13Å; A93-V127 HydrophobicContact CB-CB 3.77Å; A93-V127 HydrophobicContact CB-CG1 3.72Å; A93-V127 HydrophobicContact CB-CG2 4.39Å; A93-L172 HydrophobicContact CB-CD1 4.4Å; A93-L172 HydrophobicContact CB-CD2 4.02Å
94R98.4Very high98.1Very high142 Ų14255.7 Ų55.754%0.53628%0.28SS..Hα-helixtrans-65.9-37.7178-72.3176.6-161.3123.14.6111.8Q90 D91 M92 A97 K98Q90-R94 VanDerWaalsContact O-CG 3.26Å; Q90-R94 WeakPolarHBondContact O-CG 3.42Å; Q90-R94 PolarHBondContact O-N 3.19Å; Q90-R94 VanDerWaalsContact O-N 3.15Å; D91-R94 PolarHBondContact O-N 2.9Å; M92-R94 PolarHBondContact O-N 3.03Å; R94-A97 PolarHBondContact O-N 3.39Å; R94-K98 VanDerWaalsContact O-CB 3.3Å; R94-K98 WeakPolarHBondContact O-CB 3.38Å; R94-K98 PolarHBondContact O-N 2.97Å
95R98.8Very high98.1Very high50 Ų5053.1 Ų53.119%0.18930%0.295CS..Hα-helixtrans-64.3-43.1174.9-71.7173.6-172-85.4-1.7111.6C76 T83 D91 M92 A93 A97 K98 E99C76-R95 HydrophobicContact CB-CB 3.98Å; T83-R95 VanDerWaalsContact CB-NH2 3.32Å; T83-R95 PolarHBondContact OG1-NH2 2.8Å; D91-R95 WeakPolarHBondContact O-CG 3.5Å; D91-R95 PolarHBondContact O-N 3.15Å; D91-R95 IonicContact OD1-NE 3.42Å; D91-R95 IonicContact OD1-NH2 3.62Å; D91-R95 IonicContact OD2-CZ 2.72Å; D91-R95 IonicContact OD2-NE 3.72Å; D91-R95 PolarHBondContact OD2-NE 3.12Å; D91-R95 IonicContact OD2-NH2 3.65Å; D91-R95 PolarHBondContact OD2-NH2 2.88Å; M92-R95 PolarHBondContact O-N 3.45Å; A93-R95 VanDerWaalsContact C-N 3.34Å; R95-A97 PolarHBondContact O-N 3.39Å; R95-K98 PolarHBondContact O-N 3.33Å; R95-E99 WeakPolarHBondContact O-CB 3.35Å; R95-E99 PolarHBondContact O-N 3.49Å
96F98.8Very high98.2Very high0 Ų051.7 Ų51.70%027%0.274CS..Hα-helixtrans-57.2-48.6175.4-68.7-5.5000111.9M73 C76 V77 M92 A93 K98 Y100 L116 L172 T173M73-F96 HydrophobicContact CE-CB 3.62Å; M73-F96 HydrophobicContact CE-CD1 3.15Å; M73-F96 HydrophobicContact CE-CD2 4.22Å; M73-F96 HydrophobicContact CE-CE1 3.77Å; M73-F96 HydrophobicContact CE-CG 3.41Å; M73-F96 VanDerWaalsContact CE-CG 3.41Å; M73-F96 HydrophobicContact SD-CD1 4.42Å; M73-F96 HydrophobicContact SD-CG 4.42Å; C76-F96 HydrophobicContact CB-CD1 3.44Å; C76-F96 VanDerWaalsContact CB-CD1 3.44Å; C76-F96 HydrophobicContact CB-CE1 3.57Å; V77-F96 HydrophobicContact CG2-CE1 3.82Å; V77-F96 HydrophobicContact CG2-CZ 3.77Å; M92-F96 HydrophobicContact CG-CD1 4.4Å; M92-F96 HydrophobicContact CG-CE1 3.76Å; M92-F96 HydrophobicContact CG-CE2 4.05Å; M92-F96 HydrophobicContact CG-CZ 3.55Å; M92-F96 WeakPolarHBondContact O-CD1 3.47Å; M92-F96 WeakPolarHBondContact O-CG 3.32Å; M92-F96 PolarHBondContact O-N 3.31Å; M92-F96 HydrophobicContact SD-CE2 4.48Å; M92-F96 HydrophobicContact SD-CZ 3.89Å; A93-F96 WeakPolarHBondContact O-CB 3.33Å; A93-F96 PolarHBondContact O-N 2.99Å; F96-K98 VanDerWaalsContact C-N 3.35Å; F96-K98 PolarHBondContact O-N 3.43Å; F96-Y100 PolarHBondContact O-N 3.05Å; F96-Y100 VanDerWaalsContact O-N 3.15Å; F96-L116 HydrophobicContact CB-CD2 3.74Å; F96-L172 HydrophobicContact CD2-CB 4.28Å; F96-L172 HydrophobicContact CD2-CD1 4.25Å; F96-L172 HydrophobicContact CE2-CB 4.03Å; F96-L172 HydrophobicContact CE2-CD1 3.81Å; F96-T173 HydrophobicContact CD2-CG2 4.33Å
97A98.5Very high98.2Very high4 Ų453 Ų533%0.03329%0.287CS..Hα-helixtrans-62.3-41.2177.400000112.7A93 R94 R95 S101 L119 A120A93-A97 PolarHBondContact O-N 3.32Å; A93-A97 VanDerWaalsContact O-N 3.09Å; R94-A97 PolarHBondContact O-N 3.39Å; R95-A97 PolarHBondContact O-N 3.39Å; A97-S101 WeakPolarHBondContact O-CB 3.41Å; A97-S101 PolarHBondContact O-N 2.88Å; A97-S101 PolarHBondContact O-OG 3.15Å; A97-L119 HydrophobicContact CB-CB 3.88Å; A97-A120 HydrophobicContact CB-CB 3.98Å
98K98.6Very high98.2Very high161 Ų16152 Ų5270%0.728%0.282SS*.Hα-helixtrans-67.8-44.1-179.8-175.3179.1177.3-175.40112R94 R95 F96 S101 H102R94-K98 VanDerWaalsContact O-CB 3.3Å; R94-K98 WeakPolarHBondContact O-CB 3.38Å; R94-K98 PolarHBondContact O-N 2.97Å; R95-K98 PolarHBondContact O-N 3.33Å; F96-K98 VanDerWaalsContact C-N 3.35Å; F96-K98 PolarHBondContact O-N 3.43Å; K98-S101 PolarHBondContact O-N 3.25Å; K98-H102 PolarHBondContact O-N 3.26Å
99E98.6Very high98Very high29 Ų2952.4 Ų52.414%0.13629%0.294CS..Hα-helixtrans-61.6-48.7178.1-17857.8-142.900110.8A72 C76 R95 S101 H102 S103A72-E99 HydrophobicContact CB-CG 4.06Å; C76-E99 WeakPolarHBondContact SG-CB 3.48Å; R95-E99 WeakPolarHBondContact O-CB 3.35Å; R95-E99 PolarHBondContact O-N 3.49Å; E99-S101 VanDerWaalsContact C-N 3.27Å; E99-S101 PolarHBondContact O-N 3.3Å; E99-H102 PolarHBondContact O-N 2.94Å; E99-S103 PolarHBondContact O-N 3.24Å; E99-S103 PolarHBondContact OE1-OG 3.45Å
100Y98.4Very high97.7Very high18 Ų1853 Ų537%0.07131%0.311CS..Hα-helixtrans-58.8-39.5175.7175.5-105.6000112.7F96 H102 P104 Y108 I113 L116 R117F96-Y100 PolarHBondContact O-N 3.05Å; F96-Y100 VanDerWaalsContact O-N 3.15Å; Y100-H102 VanDerWaalsContact C-N 3.27Å; Y100-H102 PolarHBondContact O-N 2.64Å; Y100-P104 HydrophobicContact CD2-CB 4.27Å; Y100-P104 HydrophobicContact CE2-CB 3.79Å; Y100-P104 VanDerWaalsContact O-CA 3.24Å; Y100-P104 WeakPolarHBondContact O-CA 3.39Å; Y100-P104 WeakPolarHBondContact O-CB 3.29Å; Y100-P104 WeakPolarHBondContact O-CD 3.46Å; Y100-P104 VanDerWaalsContact O-N 3.13Å; Y100-Y108 AromaticContact CD2-CD2 3.55Å; Y100-Y108 HydrophobicContact CD2-CD2 3.55Å; Y100-Y108 AromaticContact CD2-CE2 3.7Å; Y100-Y108 HydrophobicContact CD2-CE2 3.7Å; Y100-Y108 AromaticContact CD2-CG 3.99Å; Y100-Y108 HydrophobicContact CD2-CG 3.99Å; Y100-Y108 AromaticContact CE2-CD2 3.97Å; Y100-Y108 HydrophobicContact CE2-CD2 3.97Å; Y100-Y108 HydrophobicContact CE2-CE2 4.48Å; Y100-Y108 HydrophobicContact CE2-CG 4.4Å; Y100-I113 HydrophobicContact CE1-CG2 4.23Å; Y100-I113 HydrophobicContact CE2-CD1 4.29Å; Y100-I113 HydrophobicContact CE2-CG1 3.78Å; Y100-I113 HydrophobicContact CE2-CG2 4.34Å; Y100-I113 WeakPolarHBondContact OH-CG2 3.49Å; Y100-L116 HydrophobicContact CD1-CB 3.91Å; Y100-L116 HydrophobicContact CD2-CD1 3.89Å; Y100-L116 HydrophobicContact CG-CB 3.91Å; Y100-L116 HydrophobicContact CG-CD1 3.81Å; Y100-L116 HydrophobicContact CG-CG 4.47Å; Y100-R117 HydrophobicContact CD1-CG 4.5Å; Y100-R117 HydrophobicContact CE1-CG 3.89Å; Y100-R117 PolarHBondContact OH-NH2 2.84Å; Y100-R117 VanDerWaalsContact OH-NH2 3.13Å
101S97.8Very high97.3Very high82 Ų8251.7 Ų51.757%0.57331%0.311SS*.Hα-helixtrans-66.9-30.5178.2-58.50000112.5A97 K98 E99A97-S101 WeakPolarHBondContact O-CB 3.41Å; A97-S101 PolarHBondContact O-N 2.88Å; A97-S101 PolarHBondContact O-OG 3.15Å; K98-S101 PolarHBondContact O-N 3.25Å; E99-S101 VanDerWaalsContact C-N 3.27Å; E99-S101 PolarHBondContact O-N 3.3Å
102H97.8Very high97.2Very high155 Ų15551.2 Ų51.272%0.71831%0.309SS*.Hα-helixtrans-81.8-42.2178.8-172.658.1000112.3K98 E99 Y100K98-H102 PolarHBondContact O-N 3.26Å; E99-H102 PolarHBondContact O-N 2.94Å; Y100-H102 VanDerWaalsContact C-N 3.27Å; Y100-H102 PolarHBondContact O-N 2.64Å
103S97.1Very high97.1Very high23 Ų2352.8 Ų52.816%0.16132%0.317CS..  trans-13058.2-170.7-50.50000111.9E99 G105 R106E99-S103 PolarHBondContact O-N 3.24Å; E99-S103 PolarHBondContact OE1-OG 3.45Å; S103-G105 PolarHBondContact O-N 3Å; S103-G105 VanDerWaalsContact O-N 3.08Å; S103-R106 WeakPolarHBondContact O-CG 3.48Å; S103-R106 PolarHBondContact O-N 3.45Å
104P97.2Very high97Very high70 Ų7058 Ų5846%0.45534%0.341SS..THydrogen-bonded Turntrans-67-15.5-171.426.8-35.7000114.4Y100 R106Y100-P104 HydrophobicContact CD2-CB 4.27Å; Y100-P104 HydrophobicContact CE2-CB 3.79Å; Y100-P104 VanDerWaalsContact O-CA 3.24Å; Y100-P104 WeakPolarHBondContact O-CA 3.39Å; Y100-P104 WeakPolarHBondContact O-CB 3.29Å; Y100-P104 WeakPolarHBondContact O-CD 3.46Å; Y100-P104 VanDerWaalsContact O-N 3.13Å; P104-R106 VanDerWaalsContact C-N 3.34Å; P104-R106 PolarHBondContact O-N 3.34Å
105G97.3Very high97Very high79 Ų7951.3 Ų51.381%0.81432%0.316SS*.THydrogen-bonded Turntrans-9020.3-177.200000115.2S103S103-G105 PolarHBondContact O-N 3Å; S103-G105 VanDerWaalsContact O-N 3.08Å
106R97.9Very high97Very high43 Ų4348.9 Ų48.916%0.16231%0.307CS..SBendtrans-83.8-1.3-176.1-73-71.8-178.6178.51.1115.8Y67 S68 D69 A72 S103 P104 Y108 E340Y67-R106 HydrophobicContact CE2-CG 4.46Å; Y67-R106 VanDerWaalsContact CZ-CZ 3.45Å; Y67-R106 WeakPolarHBondContact O-CD 3.5Å; Y67-R106 PolarHBondContact O-NH1 3.21Å; Y67-R106 PolarHBondContact OH-NH2 2.86Å; S68-R106 CarbonylContact C-O 3.52Å; S68-R106 WeakPolarHBondContact CA-O 3.37Å; S68-R106 WeakPolarHBondContact CB-O 3.38Å; D69-R106 HydrophobicContact CB-CB 4.45Å; D69-R106 PolarHBondContact N-O 2.87Å; A72-R106 HydrophobicContact CB-CG 4.43Å; S103-R106 WeakPolarHBondContact O-CG 3.48Å; S103-R106 PolarHBondContact O-N 3.45Å; P104-R106 VanDerWaalsContact C-N 3.34Å; P104-R106 PolarHBondContact O-N 3.34Å; R106-Y108 HydrophobicContact CB-CD2 4.32Å; R106-Y108 HydrophobicContact CB-CE2 3.8Å; R106-E340 IonicContact CZ-OE1 3.59Å; R106-E340 IonicContact CZ-OE2 2.77Å; R106-E340 IonicContact NH1-OE1 3.21Å; R106-E340 IonicContact NH1-OE2 3.97Å; R106-E340 PolarHBondContact NH1-OE2 3.18Å; R106-E340 VanDerWaalsContact NH2-CD 3.35Å; R106-E340 IonicContact NH2-OE1 2.57Å; R106-E340 PolarHBondContact NH2-OE1 3.47Å; R106-E340 IonicContact NH2-OE2 3.17Å; R106-E340 PolarHBondContact NH2-OE2 3.17Å
107G97.3Very high96.9Very high43 Ų4356.4 Ų56.444%0.44334%0.335SS..  trans114.7-5.7178.500000115.5D69 G109D69-G107 WeakPolarHBondContact OD1-CA 3.45Å; G107-G109 PolarHBondContact O-N 2.97Å
108Y97.9Very high96.8Very high13 Ų1360.6 Ų60.65%0.05135%0.352CS..  trans-44.1127.6-175.6-59.9-82.8000115.4D69 M73 Y100 R106 L116D69-Y108 HydrophobicContact CB-CD1 3.4Å; D69-Y108 VanDerWaalsContact CB-CD1 3.4Å; D69-Y108 HydrophobicContact CB-CD2 4.17Å; D69-Y108 HydrophobicContact CB-CE1 3.44Å; D69-Y108 VanDerWaalsContact CB-CE1 3.44Å; D69-Y108 HydrophobicContact CB-CE2 4.21Å; D69-Y108 HydrophobicContact CB-CG 3.79Å; D69-Y108 PolarHBondContact OD1-N 2.88Å; D69-Y108 WeakPolarHBondContact OD2-CA 3.02Å; M73-Y108 HydrophobicContact CG-CE1 3.82Å; M73-Y108 HydrophobicContact SD-CE1 3.9Å; Y100-Y108 AromaticContact CD2-CD2 3.55Å; Y100-Y108 HydrophobicContact CD2-CD2 3.55Å; Y100-Y108 AromaticContact CD2-CE2 3.7Å; Y100-Y108 HydrophobicContact CD2-CE2 3.7Å; Y100-Y108 AromaticContact CD2-CG 3.99Å; Y100-Y108 HydrophobicContact CD2-CG 3.99Å; Y100-Y108 AromaticContact CE2-CD2 3.97Å; Y100-Y108 HydrophobicContact CE2-CD2 3.97Å; Y100-Y108 HydrophobicContact CE2-CE2 4.48Å; Y100-Y108 HydrophobicContact CE2-CG 4.4Å; R106-Y108 HydrophobicContact CB-CD2 4.32Å; R106-Y108 HydrophobicContact CB-CE2 3.8Å; Y108-L116 HydrophobicContact CD1-CD1 3.69Å; Y108-L116 HydrophobicContact CE1-CD1 3.95Å; Y108-L116 HydrophobicContact CG-CD1 4.26Å
109G95Very high96.8Very high41 Ų4153.4 Ų53.442%0.42332%0.321SS..  trans-53.7140.9173.500000113.8G107 G111 V112 I113G107-G109 PolarHBondContact O-N 2.97Å; G109-G111 PolarHBondContact O-N 3.31Å; G109-G111 VanDerWaalsContact O-N 3.1Å; G109-V112 WeakPolarHBondContact O-CG1 3.44Å; G109-V112 PolarHBondContact O-N 2.74Å; G109-I113 PolarHBondContact O-N 2.82Å
110A90.9Very high96.6Very high82 Ų8254.6 Ų54.668%0.67834%0.337SS*.Hα-helixtrans-56.7-34.3-173.800000114
111G89.8Confident96.5Very high21 Ų2156.2 Ų56.222%0.21635%0.35CS..Hα-helixtrans-64.2-53.2174.700000112G109 I113 Q114 Q134G109-G111 PolarHBondContact O-N 3.31Å; G109-G111 VanDerWaalsContact O-N 3.1Å; G111-I113 VanDerWaalsContact C-N 3.27Å; G111-I113 PolarHBondContact O-N 3.34Å; G111-Q114 PolarHBondContact O-N 3.1Å; G111-Q114 VanDerWaalsContact O-N 3.14Å; G111-Q134 PolarHBondContact O-NE2 3.15Å; G111-Q134 PolarHBondContact O-OE1 3.04Å
112V96.6Very high96.1Very high19 Ų1957.9 Ų57.912%0.11536%0.359CS..Hα-helixtrans-65.6-29.2-173.569.80000112.8G109 Q114 V115 L116 T173G109-V112 WeakPolarHBondContact O-CG1 3.44Å; G109-V112 PolarHBondContact O-N 2.74Å; V112-Q114 PolarHBondContact O-N 3.21Å; V112-Q114 VanDerWaalsContact O-N 3.14Å; V112-V115 HydrophobicContact CG2-CB 4.5Å; V112-V115 WeakPolarHBondContact O-CA 3.48Å; V112-V115 VanDerWaalsContact O-CB 3.27Å; V112-V115 WeakPolarHBondContact O-CB 3.48Å; V112-V115 PolarHBondContact O-N 2.74Å; V112-L116 HydrophobicContact CG1-CD1 4.46Å; V112-L116 HydrophobicContact CG2-CD1 4.16Å; V112-L116 HydrophobicContact CG2-CG 4.1Å; V112-L116 WeakPolarHBondContact O-CG 3.34Å; V112-L116 PolarHBondContact O-N 3.35Å; V112-T173 HydrophobicContact CG2-CG2 3.69Å
113I97.6Very high95.9Very high33 Ų3358.1 Ų58.117%0.16936%0.36CS..Hα-helixtrans-51.4-40.3174-72.2174.9000112.1Y100 G109 G111 V115 L116 R117Y100-I113 HydrophobicContact CE1-CG2 4.23Å; Y100-I113 HydrophobicContact CE2-CD1 4.29Å; Y100-I113 HydrophobicContact CE2-CG1 3.78Å; Y100-I113 HydrophobicContact CE2-CG2 4.34Å; Y100-I113 WeakPolarHBondContact OH-CG2 3.49Å; G109-I113 PolarHBondContact O-N 2.82Å; G111-I113 VanDerWaalsContact C-N 3.27Å; G111-I113 PolarHBondContact O-N 3.34Å; I113-V115 VanDerWaalsContact C-N 3.32Å; I113-V115 PolarHBondContact O-N 3.5Å; I113-L116 PolarHBondContact O-N 3.14Å; I113-R117 VanDerWaalsContact CG2-CZ 3.49Å; I113-R117 WeakPolarHBondContact O-CG 3.35Å; I113-R117 PolarHBondContact O-N 3.37Å
114Q96.3Very high95.7Very high110 Ų11058.9 Ų58.951%0.51436%0.362SS..Hα-helixtrans-67.7-34.6178.8-58.1-177.523.400112.1G111 V112 K118G111-Q114 PolarHBondContact O-N 3.1Å; G111-Q114 VanDerWaalsContact O-N 3.14Å; V112-Q114 PolarHBondContact O-N 3.21Å; V112-Q114 VanDerWaalsContact O-N 3.14Å; Q114-K118 WeakPolarHBondContact O-CG 3.06Å; Q114-K118 PolarHBondContact O-N 2.7Å
115V98.3Very high95.5Very high1 Ų162.4 Ų62.41%0.00638%0.377CS..Hα-helixtrans-65.3-52.4174.5-175.30000109.4V112 I113 R117 K118 L119 P130 A131 Q134 L172 T173V112-V115 HydrophobicContact CG2-CB 4.5Å; V112-V115 WeakPolarHBondContact O-CA 3.48Å; V112-V115 VanDerWaalsContact O-CB 3.27Å; V112-V115 WeakPolarHBondContact O-CB 3.48Å; V112-V115 PolarHBondContact O-N 2.74Å; I113-V115 VanDerWaalsContact C-N 3.32Å; I113-V115 PolarHBondContact O-N 3.5Å; V115-R117 VanDerWaalsContact C-N 3.3Å; V115-R117 PolarHBondContact O-N 3.35Å; V115-K118 WeakPolarHBondContact O-CA 3.35Å; V115-K118 WeakPolarHBondContact O-CB 3.35Å; V115-K118 PolarHBondContact O-N 3.21Å; V115-L119 HydrophobicContact CG1-CD1 4.04Å; V115-L119 HydrophobicContact CG1-CG 4.2Å; V115-L119 WeakPolarHBondContact O-CG 3.42Å; V115-L119 PolarHBondContact O-N 3.38Å; V115-P130 HydrophobicContact CG1-CB 3.86Å; V115-A131 HydrophobicContact CG1-CB 4.46Å; V115-Q134 HydrophobicContact CG2-CG 3.54Å; V115-L172 WeakPolarHBondContact CG1-O 3.38Å; V115-T173 HydrophobicContact CG1-CG2 4.07Å
116L98.3Very high95.6Very high0 Ų061.7 Ų61.70%036%0.355CS..Hα-helixtrans-58.3-40.8-177.1-61.4169.2000111.9F96 Y100 Y108 V112 I113 K118 L119 A120 T173F96-L116 HydrophobicContact CB-CD2 3.74Å; Y100-L116 HydrophobicContact CD1-CB 3.91Å; Y100-L116 HydrophobicContact CD2-CD1 3.89Å; Y100-L116 HydrophobicContact CG-CB 3.91Å; Y100-L116 HydrophobicContact CG-CD1 3.81Å; Y100-L116 HydrophobicContact CG-CG 4.47Å; Y108-L116 HydrophobicContact CD1-CD1 3.69Å; Y108-L116 HydrophobicContact CE1-CD1 3.95Å; Y108-L116 HydrophobicContact CG-CD1 4.26Å; V112-L116 HydrophobicContact CG1-CD1 4.46Å; V112-L116 HydrophobicContact CG2-CD1 4.16Å; V112-L116 HydrophobicContact CG2-CG 4.1Å; V112-L116 WeakPolarHBondContact O-CG 3.34Å; V112-L116 PolarHBondContact O-N 3.35Å; I113-L116 PolarHBondContact O-N 3.14Å; L116-K118 PolarHBondContact O-N 2.85Å; L116-L119 HydrophobicContact CD2-CD1 4.48Å; L116-L119 PolarHBondContact O-N 3.38Å; L116-A120 PolarHBondContact O-N 3.18Å; L116-T173 HydrophobicContact CD2-CG2 4.43Å
117R97.3Very high95.6Very high157 Ų15760 Ų6059%0.59235%0.35SS*.Hα-helixtrans-63.3-39173.6-71.7176-176166.64.1113Y100 I113 V115 A120Y100-R117 HydrophobicContact CD1-CG 4.5Å; Y100-R117 HydrophobicContact CE1-CG 3.89Å; Y100-R117 PolarHBondContact OH-NH2 2.84Å; Y100-R117 VanDerWaalsContact OH-NH2 3.13Å; I113-R117 VanDerWaalsContact CG2-CZ 3.49Å; I113-R117 WeakPolarHBondContact O-CG 3.35Å; I113-R117 PolarHBondContact O-N 3.37Å; V115-R117 VanDerWaalsContact C-N 3.3Å; V115-R117 PolarHBondContact O-N 3.35Å; R117-A120 WeakPolarHBondContact O-CB 3.39Å; R117-A120 PolarHBondContact O-N 3.23Å
118K97.4Very high95.6Very high92 Ų9259.5 Ų59.540%0.434%0.335SS..Hα-helixtrans-71.1-37177-74.4174.6-179.5178.30112.1Q114 V115 L116 A120 S121 P130Q114-K118 WeakPolarHBondContact O-CG 3.06Å; Q114-K118 PolarHBondContact O-N 2.7Å; V115-K118 WeakPolarHBondContact O-CA 3.35Å; V115-K118 WeakPolarHBondContact O-CB 3.35Å; V115-K118 PolarHBondContact O-N 3.21Å; L116-K118 PolarHBondContact O-N 2.85Å; K118-A120 PolarHBondContact O-N 3.33Å; K118-S121 WeakPolarHBondContact O-CB 3.35Å; K118-S121 PolarHBondContact O-N 2.93Å; K118-P130 HydrophobicContact CB-CB 3.79Å; K118-P130 HydrophobicContact CB-CG 3.84Å; K118-P130 HydrophobicContact CD-CB 3.99Å
119L97.8Very high95.7Very high10 Ų1062.8 Ų62.85%0.05235%0.351CS..Hα-helixtrans-63.2-23.7175.4-66.1176.7000112.6A93 A97 V115 L116 S121 L124 V127 P130A93-L119 HydrophobicContact CB-CD1 4.43Å; A93-L119 HydrophobicContact CB-CD2 4.13Å; A97-L119 HydrophobicContact CB-CB 3.88Å; V115-L119 HydrophobicContact CG1-CD1 4.04Å; V115-L119 HydrophobicContact CG1-CG 4.2Å; V115-L119 WeakPolarHBondContact O-CG 3.42Å; V115-L119 PolarHBondContact O-N 3.38Å; L116-L119 HydrophobicContact CD2-CD1 4.48Å; L116-L119 PolarHBondContact O-N 3.38Å; L119-S121 PolarHBondContact O-N 2.55Å; L119-L124 HydrophobicContact CD2-CD2 3.78Å; L119-V127 HydrophobicContact CD2-CB 4.25Å; L119-V127 VanDerWaalsContact CD2-O 3.27Å; L119-V127 WeakPolarHBondContact CD2-O 3.33Å; L119-P130 HydrophobicContact CD2-CB 4.5Å; L119-P130 HydrophobicContact CD2-CG 4.01Å
120A95.5Very high95.8Very high55 Ų5560.9 Ų60.946%0.45533%0.331SS..THydrogen-bonded Turntrans-71.2-12.5174.100000113.7A97 L116 R117 K118A97-A120 HydrophobicContact CB-CB 3.98Å; L116-A120 PolarHBondContact O-N 3.18Å; R117-A120 WeakPolarHBondContact O-CB 3.39Å; R117-A120 PolarHBondContact O-N 3.23Å; K118-A120 PolarHBondContact O-N 3.33Å
121S94.9Very high96.2Very high51 Ų5157 Ų5736%0.35730%0.299SS..  trans-69.5124.3-177.2179.30000111.4K118 L119 H123 L124K118-S121 WeakPolarHBondContact O-CB 3.35Å; K118-S121 PolarHBondContact O-N 2.93Å; L119-S121 PolarHBondContact O-N 2.55Å; S121-H123 PolarHBondContact O-N 2.95Å; S121-H123 VanDerWaalsContact O-N 3.14Å; S121-H123 PolarHBondContact OG-N 3.08Å; S121-L124 WeakPolarHBondContact O-CB 3.42Å; S121-L124 PolarHBondContact O-N 3.39Å
122P90.2Very high96.6Very high117 Ų11760.9 Ų60.976%0.7631%0.307SS*.THydrogen-bonded Turntrans-69.1-10.9177.530-35.9000113.3
123H92.4Very high96.6Very high161 Ų16162 Ų6275%0.74532%0.318SS*.THydrogen-bonded Turntrans-97.80.4179-57.1-57.6000113.1S121 N125S121-H123 PolarHBondContact O-N 2.95Å; S121-H123 VanDerWaalsContact O-N 3.14Å; S121-H123 PolarHBondContact OG-N 3.08Å; H123-N125 PolarHBondContact O-N 3.45Å
124L94Very high96.6Very high38 Ų3861 Ų6120%0.19931%0.313CS..  trans-79.5111.5178.1-172.572.8000110.1L119 S121 D126 V127 P130L119-L124 HydrophobicContact CD2-CD2 3.78Å; S121-L124 WeakPolarHBondContact O-CB 3.42Å; S121-L124 PolarHBondContact O-N 3.39Å; L124-D126 WeakPolarHBondContact CD1-O 3.1Å; L124-V127 HydrophobicContact CD2-CG1 4.48Å; L124-P130 HydrophobicContact CD1-CG 4.01Å; L124-P130 HydrophobicContact CD2-CG 3.58Å; L124-P130 HydrophobicContact CG-CG 4.46Å
125N93.4Very high96.5Very high144 Ų14460.9 Ų60.977%0.7731%0.311SS*.  trans-88.1-40.7175.2-65-39.9000112Q90 H123Q90-N125 PolarHBondContact NE2-O 3.3Å; H123-N125 PolarHBondContact O-N 3.45Å
126D97.9Very high96.3Very high65 Ų6566.8 Ų66.835%0.34835%0.352SS..  trans-98.198.3179.7-178.3-11000110.2L124 F128 Q129 R132L124-D126 WeakPolarHBondContact CD1-O 3.1Å; D126-F128 PolarHBondContact O-N 3.27Å; D126-F128 WeakPolarHBondContact OD1-CB 3.39Å; D126-F128 PolarHBondContact OD1-N 3.28Å; D126-Q129 HydrophobicContact CB-CB 4.07Å; D126-Q129 WeakPolarHBondContact O-CB 3.3Å; D126-Q129 PolarHBondContact O-N 2.74Å; D126-Q129 PolarHBondContact OD1-N 3.15Å; D126-R132 IonicContact OD1-NH1 3.46Å; D126-R132 IonicContact OD1-NH2 3.61Å; D126-R132 IonicContact OD2-CZ 3.68Å; D126-R132 IonicContact OD2-NH1 3.64Å; D126-R132 IonicContact OD2-NH2 3.69Å; D126-R132 PolarHBondContact OD2-NH2 3.47Å
127V98.4Very high96.2Very high8 Ų869.1 Ų69.15%0.04838%0.376CS..THydrogen-bonded Turntrans-69.5-13.1-177.8-68.60000114E89 A93 L119 L124 L172E89-V127 HydrophobicContact CB-CG2 4.08Å; E89-V127 HydrophobicContact CG-CG2 3.81Å; A93-V127 HydrophobicContact CB-CB 3.77Å; A93-V127 HydrophobicContact CB-CG1 3.72Å; A93-V127 HydrophobicContact CB-CG2 4.39Å; L119-V127 HydrophobicContact CD2-CB 4.25Å; L119-V127 VanDerWaalsContact CD2-O 3.27Å; L119-V127 WeakPolarHBondContact CD2-O 3.33Å; L124-V127 HydrophobicContact CD2-CG1 4.48Å; V127-L172 HydrophobicContact CB-CD2 4.03Å; V127-L172 HydrophobicContact CG2-CD2 3.73Å
128F98.6Very high96.1Very high32 Ų3265.5 Ų65.514%0.1437%0.366CS..THydrogen-bonded Turntrans-89.6-19.7175.7-59.8-72.7000112.3E89 D126 A131 R132 L168 M171 L172E89-F128 HydrophobicContact CB-CE1 4.48Å; E89-F128 HydrophobicContact CB-CE2 4.16Å; E89-F128 HydrophobicContact CB-CZ 3.67Å; E89-F128 HydrophobicContact CG-CE2 3.87Å; E89-F128 HydrophobicContact CG-CZ 3.91Å; D126-F128 PolarHBondContact O-N 3.27Å; D126-F128 WeakPolarHBondContact OD1-CB 3.39Å; D126-F128 PolarHBondContact OD1-N 3.28Å; F128-A131 PolarHBondContact O-N 3.42Å; F128-R132 PolarHBondContact O-N 3.08Å; F128-R132 VanDerWaalsContact O-N 3.14Å; F128-L168 HydrophobicContact CE1-CD2 4.36Å; F128-L168 WeakPolarHBondContact CE1-O 3.04Å; F128-L168 HydrophobicContact CZ-CD2 4.05Å; F128-M171 HydrophobicContact CD1-CB 3.83Å; F128-M171 HydrophobicContact CE1-CB 4.04Å; F128-L172 HydrophobicContact CD1-CD2 3.93Å; F128-L172 HydrophobicContact CE1-CD2 3.72Å; F128-L172 HydrophobicContact CE1-CG 4.15Å; F128-L172 HydrophobicContact CZ-CD2 4.31Å
129Q98.3Very high96.1Very high82 Ų8261.1 Ų61.138%0.38335%0.347SS..Hα-helixtrans-57.7-42.9-177.7-170.1-77-30.600113.5D126 A131 R132 A133D126-Q129 HydrophobicContact CB-CB 4.07Å; D126-Q129 WeakPolarHBondContact O-CB 3.3Å; D126-Q129 PolarHBondContact O-N 2.74Å; D126-Q129 PolarHBondContact OD1-N 3.15Å; Q129-A131 VanDerWaalsContact C-N 3.31Å; Q129-A131 PolarHBondContact O-N 3.47Å; Q129-R132 PolarHBondContact O-N 3.06Å; Q129-A133 PolarHBondContact O-N 3.31Å
130P98.4Very high96.2Very high1 Ų161.5 Ų61.51%0.00635%0.35CS..Hα-helixtrans-60.7-37.6-179.8-29.339.6000113.9V115 K118 L119 L124 A133V115-P130 HydrophobicContact CG1-CB 3.86Å; K118-P130 HydrophobicContact CB-CB 3.79Å; K118-P130 HydrophobicContact CB-CG 3.84Å; K118-P130 HydrophobicContact CD-CB 3.99Å; L119-P130 HydrophobicContact CD2-CB 4.5Å; L119-P130 HydrophobicContact CD2-CG 4.01Å; L124-P130 HydrophobicContact CD1-CG 4.01Å; L124-P130 HydrophobicContact CD2-CG 3.58Å; L124-P130 HydrophobicContact CG-CG 4.46Å; P130-A133 PolarHBondContact O-N 3.08Å
131A98.4Very high96.3Very high0 Ų062.6 Ų62.60%035%0.345CS..Hα-helixtrans-68.4-45.5175.600000111.3V115 F128 Q129 A133 Q134 M171 S175V115-A131 HydrophobicContact CG1-CB 4.46Å; F128-A131 PolarHBondContact O-N 3.42Å; Q129-A131 VanDerWaalsContact C-N 3.31Å; Q129-A131 PolarHBondContact O-N 3.47Å; A131-A133 PolarHBondContact O-N 2.82Å; A131-A133 VanDerWaalsContact O-N 3.17Å; A131-Q134 VanDerWaalsContact O-CB 3.24Å; A131-Q134 WeakPolarHBondContact O-CB 3.44Å; A131-Q134 WeakPolarHBondContact O-CG 3.38Å; A131-Q134 PolarHBondContact O-N 3.34Å; A131-M171 WeakPolarHBondContact CB-O 3.11Å; A131-S175 PolarHBondContact O-OG 3.32Å
132R98.1Very high96.5Very high103 Ų10360.6 Ų60.639%0.38933%0.333SS..Hα-helixtrans-58.9-28175.9-69.3-165.9-54-95.5-3.5113.5D126 F128 Q129 Q134 G137 S175D126-R132 IonicContact OD1-NH1 3.46Å; D126-R132 IonicContact OD1-NH2 3.61Å; D126-R132 IonicContact OD2-CZ 3.68Å; D126-R132 IonicContact OD2-NH1 3.64Å; D126-R132 IonicContact OD2-NH2 3.69Å; D126-R132 PolarHBondContact OD2-NH2 3.47Å; F128-R132 PolarHBondContact O-N 3.08Å; F128-R132 VanDerWaalsContact O-N 3.14Å; Q129-R132 PolarHBondContact O-N 3.06Å; R132-Q134 VanDerWaalsContact C-N 3.3Å; R132-G137 CarbonylContact O-C 3.56Å; R132-G137 VanDerWaalsContact O-CA 3.27Å; R132-G137 WeakPolarHBondContact O-CA 3.33Å; R132-S175 VanDerWaalsContact CA-OG 3.27Å; R132-S175 WeakPolarHBondContact CA-OG 3.06Å; R132-S175 PolarHBondContact N-OG 3.08Å
133A97.3Very high96.9Very high42 Ų4255.6 Ų55.635%0.34730%0.299SS..THydrogen-bonded Turntrans-79.1-8.7177.700000114.2Q129 P130 A131Q129-A133 PolarHBondContact O-N 3.31Å; P130-A133 PolarHBondContact O-N 3.08Å; A131-A133 PolarHBondContact O-N 2.82Å; A131-A133 VanDerWaalsContact O-N 3.17Å
134Q96.7Very high97.2Very high12 Ų1248.3 Ų48.36%0.05627%0.268CS..SBendtrans-67.4152.6176.9-70.8-95.1-52.800111.3G111 V115 A131 R132 S136 G137 H138 G139G111-Q134 PolarHBondContact O-NE2 3.15Å; G111-Q134 PolarHBondContact O-OE1 3.04Å; V115-Q134 HydrophobicContact CG2-CG 3.54Å; A131-Q134 VanDerWaalsContact O-CB 3.24Å; A131-Q134 WeakPolarHBondContact O-CB 3.44Å; A131-Q134 WeakPolarHBondContact O-CG 3.38Å; A131-Q134 PolarHBondContact O-N 3.34Å; R132-Q134 VanDerWaalsContact C-N 3.3Å; Q134-S136 PolarHBondContact O-N 2.93Å; Q134-G137 PolarHBondContact O-N 3.22Å; Q134-H138 PolarHBondContact O-N 3.11Å; Q134-G139 PolarHBondContact O-N 2.8Å
135F95.4Very high97.4Very high108 Ų10846.6 Ų46.647%0.47426%0.259SS..G310 helixtrans4952172.9-56.6-78.9000113.4G137 H138 G139F135-G137 PolarHBondContact O-N 2.78Å; F135-G137 VanDerWaalsContact O-N 3.14Å; F135-H138 HydrophobicContact CB-CB 4.46Å; F135-H138 WeakPolarHBondContact O-CB 3.35Å; F135-H138 PolarHBondContact O-CD2 3.41Å; F135-H138 VanDerWaalsContact O-CD2 3.25Å; F135-H138 PolarHBondContact O-N 3.44Å; F135-G139 VanDerWaalsContact CD2-O 3.32Å; F135-G139 WeakPolarHBondContact CD2-O 3.25Å
136S94.4Very high97.7Very high124 Ų12439.8 Ų39.887%0.86722%0.223SC*.G310 helixtrans57.827.1179.4-55.80000114.6Q134Q134-S136 PolarHBondContact O-N 2.93Å
137G95.6Very high97.7Very high49 Ų4937.1 Ų37.151%0.50521%0.208SC..G310 helixtrans100-7.1-179.100000114.3R132 Q134 F135R132-G137 CarbonylContact O-C 3.56Å; R132-G137 VanDerWaalsContact O-CA 3.27Å; R132-G137 WeakPolarHBondContact O-CA 3.33Å; Q134-G137 PolarHBondContact O-N 3.22Å; F135-G137 PolarHBondContact O-N 2.78Å; F135-G137 VanDerWaalsContact O-N 3.14Å
138H95.4Very high97.7Very high81 Ų8136.9 Ų36.938%0.37521%0.207SC..THydrogen-bonded Turntrans-83.4-16.6-178.7-63.5-63.3000113.4Q134 F135 C176 F230Q134-H138 PolarHBondContact O-N 3.11Å; F135-H138 HydrophobicContact CB-CB 4.46Å; F135-H138 WeakPolarHBondContact O-CB 3.35Å; F135-H138 PolarHBondContact O-CD2 3.41Å; F135-H138 VanDerWaalsContact O-CD2 3.25Å; F135-H138 PolarHBondContact O-N 3.44Å; H138-C176 VanDerWaalsContact O-CB 3.29Å; H138-C176 WeakPolarHBondContact O-CB 3.4Å; H138-F230 HydrophobicContact CB-CE2 4.46Å; H138-F230 HydrophobicContact CB-CZ 3.99Å
139G97.6Very high97.7Very high0 Ų035.3 Ų35.30%020%0.2CC..  trans75.2165.1-177.900000114Q134 F135 S175Q134-G139 PolarHBondContact O-N 2.8Å; F135-G139 VanDerWaalsContact CD2-O 3.32Å; F135-G139 WeakPolarHBondContact CD2-O 3.25Å; G139-S175 WeakPolarHBondContact CA-OG 3.4Å
140S98.3Very high97.8Very high18 Ų1831.6 Ų31.613%0.12618%0.183CC..  trans-79.6132.2177-174.70000111.2G142 H174 C176S140-G142 PolarHBondContact OG-N 2.95Å; S140-H174 VanDerWaalsContact CB-CD2 3.43Å; S140-H174 WeakPolarHBondContact CB-CD2 3.48Å; S140-H174 PolarHBondContact OG-CD2 3.34Å; S140-H174 PolarHBondContact OG-NE2 3.4Å; S140-C176 WeakPolarHBondContact O-CB 3.41Å
141F98.1Very high97.8Very high78 Ų7831.6 Ų31.634%0.34218%0.183SC..  trans-94.85.7168.157.9-109.9000113.4C176 L178 F230 A268 A269F141-C176 HydrophobicContact CB-CB 4.35Å; F141-L178 HydrophobicContact CB-CB 3.67Å; F141-L178 HydrophobicContact CB-CD1 4.37Å; F141-F230 HydrophobicContact CD1-CD1 4.31Å; F141-F230 AromaticContact CD1-CE1 3.82Å; F141-F230 HydrophobicContact CD1-CE1 3.82Å; F141-F230 AromaticContact CD1-CZ 3.95Å; F141-F230 HydrophobicContact CD1-CZ 3.95Å; F141-F230 HydrophobicContact CE1-CD1 4.3Å; F141-F230 AromaticContact CE1-CE1 3.83Å; F141-F230 HydrophobicContact CE1-CE1 3.83Å; F141-F230 HydrophobicContact CE1-CZ 4.37Å; F141-A268 HydrophobicContact CD2-CB 3.84Å; F141-A268 HydrophobicContact CE2-CB 3.99Å; F141-A269 PolarHBondContact O-N 2.87Å; F141-A269 VanDerWaalsContact O-N 3.07Å
142G98.6Very high97.8Very high10 Ų1031.7 Ų31.710%0.10318%0.183CC..BIsolated β-bridgetrans-59.4160.2178.200000113.4S140 G144 H174 I267S140-G142 PolarHBondContact OG-N 2.95Å; G142-G144 PolarHBondContact O-N 2.99Å; G142-H174 PolarHBondContact O-CD2 2.93Å; G142-H174 PolarHBondContact O-NE2 3.21Å; G142-I267 CarbonylContact C-O 3.51Å; G142-I267 VanDerWaalsContact CA-O 3.26Å; G142-I267 WeakPolarHBondContact CA-O 3.4Å
143N98.9Very high97.8Very high11 Ų1126.8 Ų26.86%0.05917%0.165CC..G310 helixtrans-79.8-1178.461.57.7000114G145 A146 M147 I267 A269 S272 D310 T313N143-G145 PolarHBondContact O-N 2.95Å; N143-A146 WeakPolarHBondContact O-CA 3.24Å; N143-A146 WeakPolarHBondContact O-CB 3.5Å; N143-A146 PolarHBondContact O-N 2.64Å; N143-M147 PolarHBondContact O-N 2.67Å; N143-I267 PolarHBondContact N-O 3.13Å; N143-I267 PolarHBondContact OD1-O 3.25Å; N143-A269 HydrophobicContact CB-CB 4.17Å; N143-S272 VanDerWaalsContact CB-OG 3.27Å; N143-S272 WeakPolarHBondContact CB-OG 3.29Å; N143-S272 PolarHBondContact ND2-OG 2.9Å; N143-S272 VanDerWaalsContact ND2-OG 3.08Å; N143-D310 PolarHBondContact ND2-OD2 2.98Å; N143-T313 HydrophobicContact CB-CG2 4.25Å; N143-T313 VanDerWaalsContact ND2-CG2 3.29Å; N143-T313 WeakPolarHBondContact ND2-CG2 3.29Å
144G98.8Very high97.9Very high9 Ų924.8 Ų24.89%0.09315%0.148CC..G310 helixtrans-61-19.6-179.300000114.3G142 M147 R148G142-G144 PolarHBondContact O-N 2.99Å; G144-M147 VanDerWaalsContact CA-SD 3.53Å; G144-M147 WeakPolarHBondContact O-CG 3.37Å; G144-R148 PolarHBondContact O-NH1 2.73Å
145G98.8Very high98Very high1 Ų124.4 Ų24.41%0.0115%0.148CC..G310 helixtrans-71.3-39.116700000113N143 H174 A183N143-G145 PolarHBondContact O-N 2.95Å; G145-H174 PolarHBondContact N-ND1 3.39Å; G145-A183 WeakPolarHBondContact O-CB 3.46Å
146A98.9Very high98.1Very high1 Ų120.4 Ų20.41%0.00813%0.13CC..THydrogen-bonded Turntrans-78.8-38-17600000113.3N143 R148 A149 A183 Q186 V273 M317N143-A146 WeakPolarHBondContact O-CA 3.24Å; N143-A146 WeakPolarHBondContact O-CB 3.5Å; N143-A146 PolarHBondContact O-N 2.64Å; A146-R148 PolarHBondContact O-N 2.88Å; A146-A149 VanDerWaalsContact O-CB 3.27Å; A146-A149 WeakPolarHBondContact O-CB 3.44Å; A146-A149 PolarHBondContact O-N 2.75Å; A146-A183 HydrophobicContact CB-CB 4.33Å; A146-Q186 HydrophobicContact CB-CB 4.05Å; A146-Q186 HydrophobicContact CB-CG 4.5Å; A146-Q186 WeakPolarHBondContact O-CG 3.18Å; A146-V273 HydrophobicContact CB-CG2 3.55Å; A146-M317 HydrophobicContact CB-SD 3.63Å
147M98.9Very high98.1Very high9 Ų917.2 Ų17.24%0.04411%0.108CC..THydrogen-bonded Turntrans-53.8-27.4178.581.7-169.1-17200113.4D69 D70 M73 N143 G144 T313D69-M147 HydrophobicContact CB-CE 4.32Å; D69-M147 WeakPolarHBondContact OD2-CE 3.2Å; D70-M147 HydrophobicContact CB-CG 4.47Å; D70-M147 HydrophobicContact CB-SD 4.41Å; D70-M147 WeakPolarHBondContact OD2-CB 3.45Å; M73-M147 HydrophobicContact CB-CE 4.06Å; M73-M147 HydrophobicContact CG-CE 3.75Å; N143-M147 PolarHBondContact O-N 2.67Å; G144-M147 VanDerWaalsContact CA-SD 3.53Å; G144-M147 WeakPolarHBondContact O-CG 3.37Å; M147-T313 HydrophobicContact CB-CG2 3.69Å
148R98.9Very high98Very high3 Ų318 Ų181%0.01110%0.1CC..THydrogen-bonded Turntrans-112.218.9-179.768.1-174.8-172.2-105.4-15.6114.5M73 T74 V77 G144 A146 P151 G169 T173M73-R148 HydrophobicContact CB-CB 4.2Å; M73-R148 VanDerWaalsContact CB-CD 3.49Å; M73-R148 HydrophobicContact CB-CG 4.47Å; T74-R148 WeakPolarHBondContact OG1-CA 3.43Å; V77-R148 HydrophobicContact CG2-CB 4.24Å; V77-R148 HydrophobicContact CG2-CG 4.18Å; G144-R148 PolarHBondContact O-NH1 2.73Å; A146-R148 PolarHBondContact O-N 2.88Å; R148-P151 WeakPolarHBondContact O-CD 3.22Å; R148-G169 PolarHBondContact NH2-O 3.41Å; R148-T173 PolarHBondContact NH1-OG1 3.48Å; R148-T173 PolarHBondContact NH2-OG1 3.5Å
149A98.9Very high98Very high0 Ų016.8 Ų16.80%010%0.095CC..  trans-89.9-18.7-172.700000114.3A146 P151 F152 A183 Q186 A187A146-A149 VanDerWaalsContact O-CB 3.27Å; A146-A149 WeakPolarHBondContact O-CB 3.44Å; A146-A149 PolarHBondContact O-N 2.75Å; A149-P151 VanDerWaalsContact C-CD 3.4Å; A149-P151 VanDerWaalsContact C-N 3.35Å; A149-F152 HydrophobicContact CB-CD2 4.46Å; A149-F152 WeakPolarHBondContact O-CD2 3.28Å; A149-F152 PolarHBondContact O-N 3.04Å; A149-F152 VanDerWaalsContact O-N 3.15Å; A149-A183 HydrophobicContact CB-CB 4.16Å; A149-A183 WeakPolarHBondContact CB-O 3.47Å; A149-Q186 HydrophobicContact CB-CB 4.33Å; A149-Q186 HydrophobicContact CB-CG 4.23Å; A149-A187 HydrophobicContact CB-CB 4.28Å
150A98.9Very high98Very high4 Ų421.2 Ų21.23%0.03312%0.121CC..Hα-helixtrans-53.3-41-179.200000114.3F152 A153 L154 V190 A320A150-F152 PolarHBondContact O-N 3.35Å; A150-F152 VanDerWaalsContact O-N 3.12Å; A150-A153 WeakPolarHBondContact O-CB 3.36Å; A150-A153 PolarHBondContact O-N 3.11Å; A150-L154 PolarHBondContact O-N 3.23Å; A150-V190 HydrophobicContact CB-CG1 4.4Å; A150-V190 HydrophobicContact CB-CG2 4.08Å; A150-A320 HydrophobicContact CB-CB 3.77Å
151P98.9Very high97.9Very high0 Ų022.2 Ų22.20%013%0.126CC..Hα-helixtrans-59.3-25.4179.9-26.936.6000115.1L24 T74 V77 V78 L81 R148 A149 A153 L154 A155L24-P151 HydrophobicContact CD1-CG 4.35Å; T74-P151 HydrophobicContact CG2-CG 3.79Å; V77-P151 HydrophobicContact CB-CG 4.37Å; V77-P151 HydrophobicContact CG1-CB 3.8Å; V77-P151 HydrophobicContact CG1-CG 4.11Å; V78-P151 HydrophobicContact CG2-CB 3.76Å; V78-P151 HydrophobicContact CG2-CG 3.49Å; V78-P151 VanDerWaalsContact CG2-CG 3.49Å; L81-P151 HydrophobicContact CD1-CB 3.89Å; R148-P151 WeakPolarHBondContact O-CD 3.22Å; A149-P151 VanDerWaalsContact C-CD 3.4Å; A149-P151 VanDerWaalsContact C-N 3.35Å; P151-A153 VanDerWaalsContact C-N 3.35Å; P151-L154 CarbonylContact O-C 3.5Å; P151-L154 PolarHBondContact O-N 3.4Å; P151-A155 WeakPolarHBondContact O-CB 3.12Å; P151-A155 PolarHBondContact O-N 3.38Å
152F98.8Very high98Very high2 Ų218.5 Ų18.51%0.00911%0.109CC..Hα-helixtrans-66.1-39176.4-63.1-72.8000111.5V77 L81 F87 M92 A149 A150 L154 A155 F156 Y165V77-F152 HydrophobicContact CG1-CD2 4.46Å; V77-F152 HydrophobicContact CG1-CE1 4.15Å; V77-F152 HydrophobicContact CG1-CE2 3.83Å; V77-F152 HydrophobicContact CG1-CZ 3.65Å; L81-F152 HydrophobicContact CD1-CD1 4.36Å; L81-F152 HydrophobicContact CD2-CD1 4.45Å; L81-F152 HydrophobicContact CD2-CE1 4.4Å; F87-F152 AromaticContact CD2-CE1 3.94Å; F87-F152 HydrophobicContact CD2-CE1 3.94Å; F87-F152 HydrophobicContact CE2-CE1 4.17Å; M92-F152 HydrophobicContact CE-CE1 3.97Å; M92-F152 HydrophobicContact CE-CZ 3.94Å; M92-F152 HydrophobicContact SD-CZ 4.03Å; A149-F152 HydrophobicContact CB-CD2 4.46Å; A149-F152 WeakPolarHBondContact O-CD2 3.28Å; A149-F152 PolarHBondContact O-N 3.04Å; A149-F152 VanDerWaalsContact O-N 3.15Å; A150-F152 PolarHBondContact O-N 3.35Å; A150-F152 VanDerWaalsContact O-N 3.12Å; F152-L154 PolarHBondContact O-N 3.41Å; F152-A155 PolarHBondContact O-N 2.78Å; F152-F156 HydrophobicContact CD1-CE2 4.17Å; F152-F156 WeakPolarHBondContact O-CD2 3.29Å; F152-F156 PolarHBondContact O-N 3.33Å; F152-F156 VanDerWaalsContact O-N 3.1Å; F152-Y165 VanDerWaalsContact CE1-O 3.29Å; F152-Y165 WeakPolarHBondContact CE1-O 3.28Å
153A98.8Very high98Very high0 Ų020.8 Ų20.80%012%0.115CC..Hα-helixtrans-69-24.3174.700000113.1A150 P151 A187 V190 H191A150-A153 WeakPolarHBondContact O-CB 3.36Å; A150-A153 PolarHBondContact O-N 3.11Å; P151-A153 VanDerWaalsContact C-N 3.35Å; A153-A187 WeakPolarHBondContact CB-O 3.43Å; A153-V190 HydrophobicContact CB-CB 3.91Å; A153-V190 HydrophobicContact CB-CG1 3.72Å; A153-H191 HydrophobicContact CB-CB 3.99Å
154L98.8Very high97.9Very high0 Ų027 Ų270%014%0.138CC..Hα-helixtrans-88.1-18.2176.4-56.2-177.9000112.7F20 A23 L24 A150 P151 F152 L194 L352 Y356F20-L154 HydrophobicContact CD1-CB 4.06Å; F20-L154 HydrophobicContact CD1-CD2 4.01Å; F20-L154 HydrophobicContact CD1-CG 4.47Å; F20-L154 HydrophobicContact CD2-CD2 4.47Å; F20-L154 HydrophobicContact CE1-CB 3.98Å; F20-L154 HydrophobicContact CE1-CD2 4.27Å; F20-L154 WeakPolarHBondContact CE1-O 3.41Å; F20-L154 HydrophobicContact CG-CD2 4.13Å; A23-L154 HydrophobicContact CB-CD1 4.32Å; A23-L154 HydrophobicContact CB-CD2 4.18Å; L24-L154 HydrophobicContact CB-CD1 4.26Å; A150-L154 PolarHBondContact O-N 3.23Å; P151-L154 CarbonylContact O-C 3.5Å; P151-L154 PolarHBondContact O-N 3.4Å; F152-L154 PolarHBondContact O-N 3.41Å; L154-L194 HydrophobicContact CD2-CD1 4.17Å; L154-L194 HydrophobicContact CD2-CD2 4.01Å; L154-L352 HydrophobicContact CB-CB 4.3Å; L154-L352 HydrophobicContact CB-CD1 4.07Å; L154-L352 HydrophobicContact CD1-CD1 4.15Å; L154-Y356 WeakPolarHBondContact O-CD2 2.97Å
155A98.4Very high97.9Very high5 Ų528.7 Ų28.74%0.04114%0.141CC..Hα-helixtrans-98.1-26.8179.700000113.3L81 P151 F152 L352 L355L81-A155 HydrophobicContact CB-CB 4.39Å; L81-A155 HydrophobicContact CD1-CB 3.85Å; L81-A155 HydrophobicContact CD2-CB 4.28Å; L81-A155 HydrophobicContact CG-CB 4.4Å; P151-A155 WeakPolarHBondContact O-CB 3.12Å; P151-A155 PolarHBondContact O-N 3.38Å; F152-A155 PolarHBondContact O-N 2.78Å; A155-L352 HydrophobicContact CB-CD2 4.22Å; A155-L355 HydrophobicContact CB-CD2 4.29Å
156F97.9Very high97.9Very high24 Ų2428.7 Ų28.711%0.10514%0.141CC..  trans-121.8135-174.1-58.3-75.4000111.5L81 F87 F152 D161 I162 Y165 Y356L81-F156 HydrophobicContact CD2-CE2 3.74Å; L81-F156 HydrophobicContact CD2-CZ 3.94Å; F87-F156 HydrophobicContact CB-CZ 4.12Å; F152-F156 HydrophobicContact CD1-CE2 4.17Å; F152-F156 WeakPolarHBondContact O-CD2 3.29Å; F152-F156 PolarHBondContact O-N 3.33Å; F152-F156 VanDerWaalsContact O-N 3.1Å; F156-D161 HydrophobicContact CB-CB 3.96Å; F156-D161 HydrophobicContact CD1-CB 4Å; F156-D161 HydrophobicContact CG-CB 4.05Å; F156-I162 HydrophobicContact CB-CG1 3.88Å; F156-I162 WeakPolarHBondContact O-CD1 3.34Å; F156-Y165 AromaticContact CD1-CD2 3.81Å; F156-Y165 HydrophobicContact CD1-CD2 3.81Å; F156-Y165 AromaticContact CD1-CE2 3.89Å; F156-Y165 HydrophobicContact CD1-CE2 3.89Å; F156-Y165 AromaticContact CD2-CD2 3.8Å; F156-Y165 HydrophobicContact CD2-CD2 3.8Å; F156-Y165 AromaticContact CE1-CD2 3.47Å; F156-Y165 HydrophobicContact CE1-CD2 3.47Å; F156-Y165 VanDerWaalsContact CE1-CD2 3.47Å; F156-Y165 AromaticContact CE1-CE2 3.48Å; F156-Y165 HydrophobicContact CE1-CE2 3.48Å; F156-Y165 VanDerWaalsContact CE1-CE2 3.48Å; F156-Y165 AromaticContact CE2-CD2 3.48Å; F156-Y165 HydrophobicContact CE2-CD2 3.48Å; F156-Y165 VanDerWaalsContact CE2-CD2 3.48Å; F156-Y165 HydrophobicContact CE2-CE2 4.34Å; F156-Y165 AromaticContact CE2-CG 4Å; F156-Y165 HydrophobicContact CE2-CG 4Å; F156-Y165 AromaticContact CG-CD2 3.98Å; F156-Y165 HydrophobicContact CG-CD2 3.98Å; F156-Y165 HydrophobicContact CG-CE2 4.48Å; F156-Y165 AromaticContact CZ-CD2 3.31Å; F156-Y165 HydrophobicContact CZ-CD2 3.31Å; F156-Y165 AromaticContact CZ-CE2 3.74Å; F156-Y165 HydrophobicContact CZ-CE2 3.74Å; F156-Y165 AromaticContact CZ-CG 3.99Å; F156-Y165 HydrophobicContact CZ-CG 3.99Å; F156-Y356 VanDerWaalsContact O-CE2 3.3Å; F156-Y356 WeakPolarHBondContact O-CE2 3.46Å
157S94.6Very high97.9Very high57 Ų5730.6 Ų30.640%0.39915%0.148SC..SBendtrans-90.7-27.4-174.959.20000114.4H191 Y356S157-H191 PolarHBondContact O-CE1 2.76Å; S157-Y356 VanDerWaalsContact CA-CE2 3.42Å; S157-Y356 WeakPolarHBondContact CA-OH 3.48Å; S157-Y356 VanDerWaalsContact CB-CZ 3.45Å; S157-Y356 WeakPolarHBondContact CB-OH 3.4Å
158N93.6Very high97.9Very high65 Ų6532.2 Ų32.235%0.34816%0.157SC..SBendtrans-98.6146.3179.574.774000111.5V160 D161 I162N158-V160 VanDerWaalsContact C-N 3.29Å; N158-V160 PolarHBondContact O-N 3.33Å; N158-V160 WeakPolarHBondContact OD1-CB 3.38Å; N158-V160 PolarHBondContact OD1-N 3.2Å; N158-D161 PolarHBondContact ND2-OD2 3.45Å; N158-D161 PolarHBondContact O-N 3.09Å; N158-D161 WeakPolarHBondContact OD1-CB 3.32Å; N158-D161 PolarHBondContact OD1-N 3.06Å; N158-I162 WeakPolarHBondContact O-CD1 3.39Å; N158-I162 VanDerWaalsContact O-CG1 3.3Å; N158-I162 WeakPolarHBondContact O-CG1 3.24Å; N158-I162 PolarHBondContact O-N 3.07Å
159Q94.9Very high97.9Very high56 Ų5632.1 Ų32.126%0.26216%0.157SC..Hα-helixtrans-69.2-25.2-175.9-67.117812.900113.4I162 R163 L188 H191 E213Q159-I162 PolarHBondContact O-N 3.15Å; Q159-R163 WeakPolarHBondContact O-CB 3.3Å; Q159-R163 VanDerWaalsContact O-CG 3.29Å; Q159-R163 WeakPolarHBondContact O-CG 3.43Å; Q159-R163 PolarHBondContact O-N 3.26Å; Q159-L188 HydrophobicContact CB-CD2 4.44Å; Q159-L188 HydrophobicContact CG-CD2 4.43Å; Q159-H191 WeakPolarHBondContact CG-NE2 3.45Å; Q159-H191 PolarHBondContact NE2-NE2 3.05Å; Q159-E213 PolarHBondContact OE1-OE1 3.17Å
160V96.6Very high97.9Very high92 Ų9232.1 Ų32.156%0.55816%0.157SC*.Hα-helixtrans-63.6-49.3178.1175.40000110.2N158 R163 R164N158-V160 VanDerWaalsContact C-N 3.29Å; N158-V160 PolarHBondContact O-N 3.33Å; N158-V160 WeakPolarHBondContact OD1-CB 3.38Å; N158-V160 PolarHBondContact OD1-N 3.2Å; V160-R163 PolarHBondContact O-N 3.15Å; V160-R164 VanDerWaalsContact O-CB 3.31Å; V160-R164 WeakPolarHBondContact O-CB 3.41Å; V160-R164 PolarHBondContact O-N 2.68Å
161D97.9Very high97.9Very high40 Ų4034 Ų3421%0.21417%0.165CC..Hα-helixtrans-67.5-40.4177.2-76.7-24.1000111.9F156 N158 R163 R164 Y165F156-D161 HydrophobicContact CB-CB 3.96Å; F156-D161 HydrophobicContact CD1-CB 4Å; F156-D161 HydrophobicContact CG-CB 4.05Å; N158-D161 PolarHBondContact ND2-OD2 3.45Å; N158-D161 PolarHBondContact O-N 3.09Å; N158-D161 WeakPolarHBondContact OD1-CB 3.32Å; N158-D161 PolarHBondContact OD1-N 3.06Å; D161-R163 PolarHBondContact O-N 2.81Å; D161-R164 PolarHBondContact O-N 3.45Å; D161-Y165 HydrophobicContact CB-CD2 3.79Å; D161-Y165 HydrophobicContact CB-CE2 3.64Å; D161-Y165 WeakPolarHBondContact O-CB 3.32Å; D161-Y165 WeakPolarHBondContact O-CD2 3.5Å; D161-Y165 PolarHBondContact O-N 3.3Å; D161-Y165 WeakPolarHBondContact OD1-CE2 3.43Å
162I98.6Very high97.9Very high0 Ų034 Ų340%017%0.165CC..Hα-helixtrans-57.9-51.3176-66.6162.1000110.2F156 N158 Q159 R164 S166 A187 L188 H191F156-I162 HydrophobicContact CB-CG1 3.88Å; F156-I162 WeakPolarHBondContact O-CD1 3.34Å; N158-I162 WeakPolarHBondContact O-CD1 3.39Å; N158-I162 VanDerWaalsContact O-CG1 3.3Å; N158-I162 WeakPolarHBondContact O-CG1 3.24Å; N158-I162 PolarHBondContact O-N 3.07Å; Q159-I162 PolarHBondContact O-N 3.15Å; I162-R164 PolarHBondContact O-N 3.46Å; I162-S166 VanDerWaalsContact O-CB 3.25Å; I162-S166 WeakPolarHBondContact O-CB 3.43Å; I162-S166 PolarHBondContact O-N 2.97Å; I162-S166 PolarHBondContact O-OG 3.26Å; I162-A187 HydrophobicContact CG2-CB 3.74Å; I162-L188 HydrophobicContact CG2-CD2 4.44Å; I162-H191 HydrophobicContact CD1-CB 3.8Å; I162-H191 VanDerWaalsContact CD1-CG 3.48Å; I162-H191 WeakPolarHBondContact CD1-ND1 3.31Å
163R98.4Very high97.9Very high58 Ų5834 Ų3422%0.21917%0.165CC..Hα-helixtrans-60-46.7177.7-71.9-172.8-64.1-156.6-8.1111.6Q159 V160 D161 R167 V184 L188 E213Q159-R163 WeakPolarHBondContact O-CB 3.3Å; Q159-R163 VanDerWaalsContact O-CG 3.29Å; Q159-R163 WeakPolarHBondContact O-CG 3.43Å; Q159-R163 PolarHBondContact O-N 3.26Å; V160-R163 PolarHBondContact O-N 3.15Å; D161-R163 PolarHBondContact O-N 2.81Å; R163-R167 WeakPolarHBondContact O-CB 3.41Å; R163-R167 PolarHBondContact O-N 3.35Å; R163-V184 HydrophobicContact CB-CG1 4.24Å; R163-V184 HydrophobicContact CG-CG1 3.84Å; R163-L188 HydrophobicContact CG-CD1 4.1Å; R163-L188 HydrophobicContact CG-CD2 4.01Å; R163-L188 HydrophobicContact CG-CG 4.3Å; R163-E213 IonicContact CZ-OE2 3.61Å; R163-E213 IonicContact NE-OE2 3.7Å; R163-E213 IonicContact NH1-OE2 2.63Å; R163-E213 PolarHBondContact NH1-OE2 2.77Å
164R98.6Very high97.9Very high142 Ų14234.3 Ų34.354%0.53617%0.167SC..Hα-helixtrans-62.9-52.3-177.7-178.7-179.6-179.6-179.4-0.4111.6V160 D161 I162 L168V160-R164 VanDerWaalsContact O-CB 3.31Å; V160-R164 WeakPolarHBondContact O-CB 3.41Å; V160-R164 PolarHBondContact O-N 2.68Å; D161-R164 PolarHBondContact O-N 3.45Å; I162-R164 PolarHBondContact O-N 3.46Å; R164-L168 HydrophobicContact CG-CD1 4.08Å; R164-L168 WeakPolarHBondContact O-CG 3.19Å; R164-L168 PolarHBondContact O-N 2.93Å
165Y98.8Very high97.9Very high44 Ų4435.1 Ų35.117%0.17317%0.172CC..Hα-helixtrans-80.5-31-171.3-60.5-48.5000112.9F87 F152 F156 D161 L168 G169F87-Y165 HydrophobicContact CB-CD1 3.33Å; F87-Y165 HydrophobicContact CB-CD2 4.25Å; F87-Y165 HydrophobicContact CB-CE1 3.7Å; F87-Y165 HydrophobicContact CB-CG 3.65Å; F87-Y165 AromaticContact CD1-CD1 3.51Å; F87-Y165 HydrophobicContact CD1-CD1 3.51Å; F87-Y165 AromaticContact CD1-CE1 3.97Å; F87-Y165 HydrophobicContact CD1-CE1 3.97Å; F87-Y165 HydrophobicContact CD1-CG 4.46Å; F87-Y165 HydrophobicContact CD2-CD1 4.21Å; F87-Y165 HydrophobicContact CD2-CG 4.42Å; F87-Y165 HydrophobicContact CE1-CD1 4.37Å; F87-Y165 AromaticContact CG-CD1 3.4Å; F87-Y165 HydrophobicContact CG-CD1 3.4Å; F87-Y165 VanDerWaalsContact CG-CD1 3.4Å; F87-Y165 HydrophobicContact CG-CE1 4.08Å; F87-Y165 AromaticContact CG-CG 3.93Å; F87-Y165 HydrophobicContact CG-CG 3.93Å; F152-Y165 VanDerWaalsContact CE1-O 3.29Å; F152-Y165 WeakPolarHBondContact CE1-O 3.28Å; F156-Y165 AromaticContact CD1-CD2 3.81Å; F156-Y165 HydrophobicContact CD1-CD2 3.81Å; F156-Y165 AromaticContact CD1-CE2 3.89Å; F156-Y165 HydrophobicContact CD1-CE2 3.89Å; F156-Y165 AromaticContact CD2-CD2 3.8Å; F156-Y165 HydrophobicContact CD2-CD2 3.8Å; F156-Y165 AromaticContact CE1-CD2 3.47Å; F156-Y165 HydrophobicContact CE1-CD2 3.47Å; F156-Y165 VanDerWaalsContact CE1-CD2 3.47Å; F156-Y165 AromaticContact CE1-CE2 3.48Å; F156-Y165 HydrophobicContact CE1-CE2 3.48Å; F156-Y165 VanDerWaalsContact CE1-CE2 3.48Å; F156-Y165 AromaticContact CE2-CD2 3.48Å; F156-Y165 HydrophobicContact CE2-CD2 3.48Å; F156-Y165 VanDerWaalsContact CE2-CD2 3.48Å; F156-Y165 HydrophobicContact CE2-CE2 4.34Å; F156-Y165 AromaticContact CE2-CG 4Å; F156-Y165 HydrophobicContact CE2-CG 4Å; F156-Y165 AromaticContact CG-CD2 3.98Å; F156-Y165 HydrophobicContact CG-CD2 3.98Å; F156-Y165 HydrophobicContact CG-CE2 4.48Å; F156-Y165 AromaticContact CZ-CD2 3.31Å; F156-Y165 HydrophobicContact CZ-CD2 3.31Å; F156-Y165 AromaticContact CZ-CE2 3.74Å; F156-Y165 HydrophobicContact CZ-CE2 3.74Å; F156-Y165 AromaticContact CZ-CG 3.99Å; F156-Y165 HydrophobicContact CZ-CG 3.99Å; D161-Y165 HydrophobicContact CB-CD2 3.79Å; D161-Y165 HydrophobicContact CB-CE2 3.64Å; D161-Y165 WeakPolarHBondContact O-CB 3.32Å; D161-Y165 WeakPolarHBondContact O-CD2 3.5Å; D161-Y165 PolarHBondContact O-N 3.3Å; D161-Y165 WeakPolarHBondContact OD1-CE2 3.43Å; Y165-L168 HydrophobicContact CD1-CD1 4.33Å; Y165-L168 PolarHBondContact O-N 3.23Å; Y165-G169 PolarHBondContact O-N 2.92Å
166S98.9Very high97.9Very high0 Ų034.9 Ų34.90%017%0.17CC..Hα-helixtrans-67.5-38.1170.971.80000111.6I162 A170 V184I162-S166 VanDerWaalsContact O-CB 3.25Å; I162-S166 WeakPolarHBondContact O-CB 3.43Å; I162-S166 PolarHBondContact O-N 2.97Å; I162-S166 PolarHBondContact O-OG 3.26Å; S166-A170 VanDerWaalsContact O-CB 3.29Å; S166-A170 WeakPolarHBondContact O-CB 3.5Å; S166-A170 PolarHBondContact O-N 3.2Å; S166-V184 WeakPolarHBondContact OG-CA 3.35Å
167R98.9Very high97.9Very high42 Ų4233.8 Ų33.816%0.15817%0.166CC..Hα-helixtrans-59.4-54.6171.1178.6178.5-67.1155.8-7.5111.5R163 G169 A170 M171 Y180 V184 E220R163-R167 WeakPolarHBondContact O-CB 3.41Å; R163-R167 PolarHBondContact O-N 3.35Å; R167-G169 PolarHBondContact O-N 3.03Å; R167-A170 PolarHBondContact O-N 2.76Å; R167-M171 HydrophobicContact CG-CG 4.38Å; R167-M171 HydrophobicContact CG-SD 3.84Å; R167-M171 WeakPolarHBondContact O-CB 3.28Å; R167-M171 VanDerWaalsContact O-CG 3.25Å; R167-M171 WeakPolarHBondContact O-CG 3.43Å; R167-M171 PolarHBondContact O-N 2.85Å; R167-Y180 HydrophobicContact CG-CD2 3.77Å; R167-Y180 HydrophobicContact CG-CE2 4.28Å; R167-Y180 HydrophobicContact CG-CG 4.18Å; R167-V184 HydrophobicContact CB-CG2 3.81Å; R167-E220 IonicContact CZ-OE1 3.92Å; R167-E220 IonicContact CZ-OE2 3.19Å; R167-E220 IonicContact NH1-OE1 3.92Å; R167-E220 PolarHBondContact NH1-OE1 2.82Å; R167-E220 IonicContact NH1-OE2 2.81Å; R167-E220 PolarHBondContact NH1-OE2 3.18Å; R167-E220 IonicContact NH2-OE1 3.81Å; R167-E220 PolarHBondContact NH2-OE1 2.93Å; R167-E220 IonicContact NH2-OE2 2.79Å
168L98.9Very high98.1Very high43 Ų4331.5 Ų31.523%0.22515%0.149CC..Hα-helixtrans-61.9-42.4-179.7-68.7172.3000111.6F87 F128 R164 Y165 A170 M171 L172F87-L168 HydrophobicContact CD1-CD1 4.33Å; F87-L168 HydrophobicContact CE1-CB 3.63Å; F87-L168 HydrophobicContact CE1-CD1 3.84Å; F87-L168 HydrophobicContact CE1-CG 4.37Å; F87-L168 HydrophobicContact CE2-CB 4.26Å; F87-L168 HydrophobicContact CZ-CB 3.42Å; F87-L168 VanDerWaalsContact CZ-CB 3.42Å; F128-L168 HydrophobicContact CE1-CD2 4.36Å; F128-L168 WeakPolarHBondContact CE1-O 3.04Å; F128-L168 HydrophobicContact CZ-CD2 4.05Å; R164-L168 HydrophobicContact CG-CD1 4.08Å; R164-L168 WeakPolarHBondContact O-CG 3.19Å; R164-L168 PolarHBondContact O-N 2.93Å; Y165-L168 HydrophobicContact CD1-CD1 4.33Å; Y165-L168 PolarHBondContact O-N 3.23Å; L168-A170 VanDerWaalsContact C-N 3.32Å; L168-A170 PolarHBondContact O-N 2.97Å; L168-M171 HydrophobicContact CD2-SD 4.44Å; L168-M171 PolarHBondContact O-N 3.33Å; L168-L172 PolarHBondContact O-N 3.24Å
169G98.9Very high98.4Very high1 Ų128.4 Ų28.41%0.0113%0.132CC..Hα-helixtrans-62.7-35.4175.600000113.8R148 Y165 R167R148-G169 PolarHBondContact NH2-O 3.41Å; Y165-G169 PolarHBondContact O-N 2.92Å; R167-G169 PolarHBondContact O-N 3.03Å
170A98.9Very high98.6Very high0 Ų026.4 Ų26.40%012%0.123CC..Hα-helixtrans-70-44172.900000111.7S166 R167 L168 L172 T173 H174 A183S166-A170 VanDerWaalsContact O-CB 3.29Å; S166-A170 WeakPolarHBondContact O-CB 3.5Å; S166-A170 PolarHBondContact O-N 3.2Å; R167-A170 PolarHBondContact O-N 2.76Å; L168-A170 VanDerWaalsContact C-N 3.32Å; L168-A170 PolarHBondContact O-N 2.97Å; A170-L172 PolarHBondContact O-N 3.2Å; A170-T173 PolarHBondContact O-N 3.43Å; A170-H174 PolarHBondContact O-N 3.39Å; A170-A183 HydrophobicContact CB-CB 3.54Å
171M98.8Very high98.7Very high43 Ų4322.1 Ų22.121%0.21210%0.097CC..Hα-helixtrans-59.5-17.5-179.2-74.7175.971.100114.6F128 A131 R167 L168 T173 H174 Y180F128-M171 HydrophobicContact CD1-CB 3.83Å; F128-M171 HydrophobicContact CE1-CB 4.04Å; A131-M171 WeakPolarHBondContact CB-O 3.11Å; R167-M171 HydrophobicContact CG-CG 4.38Å; R167-M171 HydrophobicContact CG-SD 3.84Å; R167-M171 WeakPolarHBondContact O-CB 3.28Å; R167-M171 VanDerWaalsContact O-CG 3.25Å; R167-M171 WeakPolarHBondContact O-CG 3.43Å; R167-M171 PolarHBondContact O-N 2.85Å; L168-M171 HydrophobicContact CD2-SD 4.44Å; L168-M171 PolarHBondContact O-N 3.33Å; M171-T173 PolarHBondContact O-N 2.91Å; M171-H174 WeakPolarHBondContact CA-O 3.37Å; M171-Y180 HydrophobicContact CG-CD1 3.78Å; M171-Y180 HydrophobicContact CG-CE1 4.45Å; M171-Y180 HydrophobicContact CG-CG 4.11Å; M171-Y180 HydrophobicContact SD-CD1 4.48Å
172L98.9Very high98.7Very high0 Ų020.2 Ų20.20%09%0.086CC..THydrogen-bonded Turntrans-60.2-24.3170.2-69.3177.5000113.1E89 M92 A93 F96 V115 V127 F128 L168 A170E89-L172 HydrophobicContact CB-CD2 4.29Å; M92-L172 HydrophobicContact CB-CD1 3.84Å; M92-L172 HydrophobicContact CG-CD1 3.77Å; M92-L172 HydrophobicContact SD-CD1 3.96Å; A93-L172 HydrophobicContact CB-CD1 4.4Å; A93-L172 HydrophobicContact CB-CD2 4.02Å; F96-L172 HydrophobicContact CD2-CB 4.28Å; F96-L172 HydrophobicContact CD2-CD1 4.25Å; F96-L172 HydrophobicContact CE2-CB 4.03Å; F96-L172 HydrophobicContact CE2-CD1 3.81Å; V115-L172 WeakPolarHBondContact CG1-O 3.38Å; V127-L172 HydrophobicContact CB-CD2 4.03Å; V127-L172 HydrophobicContact CG2-CD2 3.73Å; F128-L172 HydrophobicContact CD1-CD2 3.93Å; F128-L172 HydrophobicContact CE1-CD2 3.72Å; F128-L172 HydrophobicContact CE1-CG 4.15Å; F128-L172 HydrophobicContact CZ-CD2 4.31Å; L168-L172 PolarHBondContact O-N 3.24Å; A170-L172 PolarHBondContact O-N 3.2Å
173T98.8Very high98.7Very high1 Ų120.2 Ų20.21%0.0069%0.086CC..THydrogen-bonded Turntrans-133.8-21.517564.90000115F96 V112 V115 L116 R148 A170 M171F96-T173 HydrophobicContact CD2-CG2 4.33Å; V112-T173 HydrophobicContact CG2-CG2 3.69Å; V115-T173 HydrophobicContact CG1-CG2 4.07Å; L116-T173 HydrophobicContact CD2-CG2 4.43Å; R148-T173 PolarHBondContact NH1-OG1 3.48Å; R148-T173 PolarHBondContact NH2-OG1 3.5Å; A170-T173 PolarHBondContact O-N 3.43Å; M171-T173 PolarHBondContact O-N 2.91Å
174H98.6Very high98.8Very high8 Ų817.5 Ų17.54%0.0378%0.076CC..  trans-125.690.6-175.6-6873.1000109.9S140 G142 G145 A170 M171S140-H174 VanDerWaalsContact CB-CD2 3.43Å; S140-H174 WeakPolarHBondContact CB-CD2 3.48Å; S140-H174 PolarHBondContact OG-CD2 3.34Å; S140-H174 PolarHBondContact OG-NE2 3.4Å; G142-H174 PolarHBondContact O-CD2 2.93Å; G142-H174 PolarHBondContact O-NE2 3.21Å; G145-H174 PolarHBondContact N-ND1 3.39Å; A170-H174 PolarHBondContact O-N 3.39Å; M171-H174 WeakPolarHBondContact CA-O 3.37Å
175S98Very high98.8Very high17 Ų1710.7 Ų10.712%0.1195%0.05CC..  trans-91-4.3-177.4650000114.6A131 R132 G139 Y180A131-S175 PolarHBondContact O-OG 3.32Å; R132-S175 VanDerWaalsContact CA-OG 3.27Å; R132-S175 WeakPolarHBondContact CA-OG 3.06Å; R132-S175 PolarHBondContact N-OG 3.08Å; G139-S175 WeakPolarHBondContact CA-OG 3.4Å; S175-Y180 WeakPolarHBondContact O-CE1 3.33Å
176C98.4Very high98.8Very high0 Ų08.7 Ų8.70%04%0.043CC..SBendtrans-78.3139.1169.6179.60000108.9H138 S140 F141 L178 G179 Y180 F230H138-C176 VanDerWaalsContact O-CB 3.29Å; H138-C176 WeakPolarHBondContact O-CB 3.4Å; S140-C176 WeakPolarHBondContact O-CB 3.41Å; F141-C176 HydrophobicContact CB-CB 4.35Å; C176-L178 VanDerWaalsContact C-N 3.25Å; C176-L178 PolarHBondContact O-N 3.06Å; C176-G179 WeakPolarHBondContact O-CA 3.4Å; C176-G179 PolarHBondContact O-N 3.12Å; C176-Y180 VanDerWaalsContact C-CD1 3.47Å; C176-Y180 VanDerWaalsContact C-CE1 3.48Å; C176-Y180 WeakPolarHBondContact O-CD1 3.24Å; C176-Y180 PolarHBondContact O-N 2.93Å; C176-F230 VanDerWaalsContact SG-CE2 3.59Å
177S98.6Very high98.8Very high1 Ų18.7 Ų8.71%0.0074%0.043CC..Hα-helixtrans-59.5-34.8177.870.40000113.5G179 Y180 N181 A223 D226S177-G179 PolarHBondContact O-N 2.83Å; S177-Y180 WeakPolarHBondContact CB-OH 3.41Å; S177-Y180 VanDerWaalsContact N-CE1 3.29Å; S177-Y180 PolarHBondContact O-N 3.49Å; S177-N181 WeakPolarHBondContact O-CA 3.47Å; S177-N181 WeakPolarHBondContact O-CB 3.47Å; S177-N181 VanDerWaalsContact O-CG 3.32Å; S177-N181 PolarHBondContact O-N 3.36Å; S177-A223 WeakPolarHBondContact OG-CA 3.34Å; S177-A223 PolarHBondContact OG-O 3.34Å; S177-D226 WeakPolarHBondContact CB-OD2 3.44Å; S177-D226 PolarHBondContact N-OD2 3.29Å; S177-D226 VanDerWaalsContact OG-CB 3.24Å; S177-D226 WeakPolarHBondContact OG-CB 3.47Å; S177-D226 PolarHBondContact OG-OD2 2.89Å
178L98.6Very high98.8Very high9 Ų96.8 Ų6.85%0.0474%0.035CC..Hα-helixtrans-58.8-33.9173.4-63178000111.4F141 C176 F230 E232 P236 F237 A269F141-L178 HydrophobicContact CB-CB 3.67Å; F141-L178 HydrophobicContact CB-CD1 4.37Å; C176-L178 VanDerWaalsContact C-N 3.25Å; C176-L178 PolarHBondContact O-N 3.06Å; L178-F230 HydrophobicContact CD1-CB 4Å; L178-F230 HydrophobicContact CD1-CD2 3.83Å; L178-F230 HydrophobicContact CD1-CG 4.05Å; L178-E232 HydrophobicContact CD1-CG 4.12Å; L178-P236 HydrophobicContact CD2-CB 4.35Å; L178-P236 HydrophobicContact CD2-CG 3.67Å; L178-F237 WeakPolarHBondContact O-CE2 3.4Å; L178-F237 VanDerWaalsContact O-CZ 3.28Å; L178-F237 WeakPolarHBondContact O-CZ 3.18Å; L178-A269 WeakPolarHBondContact O-CB 3.43Å
179G98.8Very high98.8Very high0 Ų04.7 Ų4.70%03%0.025CC..Hα-helixtrans-76.8-54.7175.300000113C176 S177 G182 A183C176-G179 WeakPolarHBondContact O-CA 3.4Å; C176-G179 PolarHBondContact O-N 3.12Å; S177-G179 PolarHBondContact O-N 2.83Å; G179-G182 PolarHBondContact O-N 3.23Å; G179-A183 PolarHBondContact O-N 3.31Å
180Y98.8Very high98.8Very high14 Ų144.7 Ų4.76%0.0552%0.024CC..Hα-helixtrans-74.6-28.2-175.364.6-113.4000113.9R167 M171 S175 C176 S177 G182 A183 V184R167-Y180 HydrophobicContact CG-CD2 3.77Å; R167-Y180 HydrophobicContact CG-CE2 4.28Å; R167-Y180 HydrophobicContact CG-CG 4.18Å; M171-Y180 HydrophobicContact CG-CD1 3.78Å; M171-Y180 HydrophobicContact CG-CE1 4.45Å; M171-Y180 HydrophobicContact CG-CG 4.11Å; M171-Y180 HydrophobicContact SD-CD1 4.48Å; S175-Y180 WeakPolarHBondContact O-CE1 3.33Å; C176-Y180 VanDerWaalsContact C-CD1 3.47Å; C176-Y180 VanDerWaalsContact C-CE1 3.48Å; C176-Y180 WeakPolarHBondContact O-CD1 3.24Å; C176-Y180 PolarHBondContact O-N 2.93Å; S177-Y180 WeakPolarHBondContact CB-OH 3.41Å; S177-Y180 VanDerWaalsContact N-CE1 3.29Å; S177-Y180 PolarHBondContact O-N 3.49Å; Y180-G182 VanDerWaalsContact C-N 3.32Å; Y180-A183 WeakPolarHBondContact O-CB 3.47Å; Y180-A183 PolarHBondContact O-N 3.29Å; Y180-V184 WeakPolarHBondContact O-CG2 3.45Å; Y180-V184 PolarHBondContact O-N 2.87Å
181N98.9Very high98.8Very high2 Ų25.2 Ų5.21%0.0113%0.027CC..Hα-helixtrans-71.6-30.1174-72.3-13.4000111.3S177 A183 V184 L185 M214 V217 F237S177-N181 WeakPolarHBondContact O-CA 3.47Å; S177-N181 WeakPolarHBondContact O-CB 3.47Å; S177-N181 VanDerWaalsContact O-CG 3.32Å; S177-N181 PolarHBondContact O-N 3.36Å; N181-A183 VanDerWaalsContact C-N 3.31Å; N181-A183 PolarHBondContact O-N 2.82Å; N181-V184 PolarHBondContact O-N 2.87Å; N181-L185 WeakPolarHBondContact O-CB 3.29Å; N181-L185 PolarHBondContact O-N 2.99Å; N181-M214 HydrophobicContact CB-CE 3.97Å; N181-V217 HydrophobicContact CB-CG1 4.1Å; N181-V217 VanDerWaalsContact CG-CG1 3.41Å; N181-V217 WeakPolarHBondContact OD1-CG1 3.45Å; N181-F237 HydrophobicContact CB-CD2 3.93Å; N181-F237 HydrophobicContact CB-CE2 3.73Å
182G98.9Very high98.8Very high0 Ų03.9 Ų3.90%02%0.02CC..Hα-helixtrans-62.1-39.6168.400000112.3G179 Y180 L185 Q186 F237G179-G182 PolarHBondContact O-N 3.23Å; Y180-G182 VanDerWaalsContact C-N 3.32Å; G182-L185 PolarHBondContact O-N 3.01Å; G182-Q186 WeakPolarHBondContact O-CB 3.47Å; G182-Q186 PolarHBondContact O-N 3.11Å; G182-F237 VanDerWaalsContact N-CZ 3.34Å
183A98.9Very high98.8Very high0 Ų03.9 Ų3.90%02%0.02CC..Hα-helixtrans-67-37174.300000113G145 A146 A149 A170 G179 Y180 N181 A187G145-A183 WeakPolarHBondContact O-CB 3.46Å; A146-A183 HydrophobicContact CB-CB 4.33Å; A149-A183 HydrophobicContact CB-CB 4.16Å; A149-A183 WeakPolarHBondContact CB-O 3.47Å; A170-A183 HydrophobicContact CB-CB 3.54Å; G179-A183 PolarHBondContact O-N 3.31Å; Y180-A183 WeakPolarHBondContact O-CB 3.47Å; Y180-A183 PolarHBondContact O-N 3.29Å; N181-A183 VanDerWaalsContact C-N 3.31Å; N181-A183 PolarHBondContact O-N 2.82Å; A183-A187 WeakPolarHBondContact O-CB 3.38Å; A183-A187 PolarHBondContact O-N 3.37Å
184V98.9Very high98.7Very high0 Ų03.8 Ų3.80%02%0.02CC..Hα-helixtrans-62-50.3172.1173.40000110.7R163 S166 R167 Y180 N181 Q186 A187 L188 M214 V217R163-V184 HydrophobicContact CB-CG1 4.24Å; R163-V184 HydrophobicContact CG-CG1 3.84Å; S166-V184 WeakPolarHBondContact OG-CA 3.35Å; R167-V184 HydrophobicContact CB-CG2 3.81Å; Y180-V184 WeakPolarHBondContact O-CG2 3.45Å; Y180-V184 PolarHBondContact O-N 2.87Å; N181-V184 PolarHBondContact O-N 2.87Å; V184-Q186 PolarHBondContact O-N 3.22Å; V184-A187 PolarHBondContact O-N 3.29Å; V184-L188 HydrophobicContact CG1-CD1 3.8Å; V184-L188 HydrophobicContact CG1-CG 4.33Å; V184-L188 WeakPolarHBondContact O-CB 3.29Å; V184-L188 VanDerWaalsContact O-CG 3.31Å; V184-L188 WeakPolarHBondContact O-CG 3.22Å; V184-L188 PolarHBondContact O-N 3.44Å; V184-M214 HydrophobicContact CG1-SD 4.43Å; V184-V217 HydrophobicContact CG1-CG1 4.49Å; V184-V217 HydrophobicContact CG1-CG2 3.98Å
185L98.9Very high98.7Very high0 Ų06.7 Ų6.70%03%0.033CC..Hα-helixtrans-57.8-47.617817655.7000111.7N181 G182 A187 L188 A189 L210 M214 F237 L241 V273 P274 I277N181-L185 WeakPolarHBondContact O-CB 3.29Å; N181-L185 PolarHBondContact O-N 2.99Å; G182-L185 PolarHBondContact O-N 3.01Å; L185-A187 PolarHBondContact O-N 3.14Å; L185-L188 PolarHBondContact O-N 3.1Å; L185-A189 WeakPolarHBondContact O-CB 3.41Å; L185-A189 PolarHBondContact O-N 3.08Å; L185-L210 HydrophobicContact CD1-CB 4.23Å; L185-L210 HydrophobicContact CD1-CD1 4.3Å; L185-L210 HydrophobicContact CD1-CD2 4.13Å; L185-L210 HydrophobicContact CD1-CG 4.46Å; L185-M214 HydrophobicContact CB-CE 4.26Å; L185-M214 HydrophobicContact CB-CG 4.44Å; L185-M214 HydrophobicContact CB-SD 3.79Å; L185-M214 HydrophobicContact CD1-CG 3.85Å; L185-M214 HydrophobicContact CD1-SD 4.21Å; L185-F237 HydrophobicContact CD2-CB 4.3Å; L185-F237 HydrophobicContact CD2-CD1 3.53Å; L185-F237 HydrophobicContact CD2-CE1 4.21Å; L185-F237 HydrophobicContact CD2-CG 4.21Å; L185-L241 HydrophobicContact CD1-CD1 3.95Å; L185-L241 HydrophobicContact CD1-CD2 4.26Å; L185-L241 HydrophobicContact CD2-CD1 4.35Å; L185-L241 HydrophobicContact CD2-CD2 4.29Å; L185-L241 HydrophobicContact CD2-CG 4.44Å; L185-V273 HydrophobicContact CB-CG1 4.09Å; L185-V273 HydrophobicContact CD2-CB 4.5Å; L185-V273 HydrophobicContact CD2-CG1 3.78Å; L185-V273 HydrophobicContact CG-CG1 3.76Å; L185-P274 HydrophobicContact CD2-CG 4.49Å; L185-I277 HydrophobicContact CD1-CD1 3.85Å; L185-I277 HydrophobicContact CD2-CD1 4.02Å; L185-I277 HydrophobicContact CG-CD1 3.79Å
186Q98.9Very high98.6Very high2 Ų26 Ų61%0.0093%0.029CC..Hα-helixtrans-60.5-46.1178.3176.957.118.100111.9A146 A149 G182 V184 L188 A189 V190 V273 M317A146-Q186 HydrophobicContact CB-CB 4.05Å; A146-Q186 HydrophobicContact CB-CG 4.5Å; A146-Q186 WeakPolarHBondContact O-CG 3.18Å; A149-Q186 HydrophobicContact CB-CB 4.33Å; A149-Q186 HydrophobicContact CB-CG 4.23Å; G182-Q186 WeakPolarHBondContact O-CB 3.47Å; G182-Q186 PolarHBondContact O-N 3.11Å; V184-Q186 PolarHBondContact O-N 3.22Å; Q186-L188 VanDerWaalsContact C-N 3.35Å; Q186-L188 PolarHBondContact O-N 2.85Å; Q186-A189 PolarHBondContact O-N 3.47Å; Q186-V190 WeakPolarHBondContact O-CG2 3.26Å; Q186-V190 PolarHBondContact O-N 2.86Å; Q186-V273 HydrophobicContact CB-CG1 3.98Å; Q186-M317 HydrophobicContact CG-CG 4.13Å; Q186-M317 HydrophobicContact CG-SD 4.18Å; Q186-M317 PolarHBondContact NE2-O 3.36Å
187A98.9Very high98.5Very high0 Ų06.5 Ų6.50%03%0.034CC..Hα-helixtrans-63.6-39.7177.500000112.1A149 A153 I162 A183 V184 L185 V190 H191A149-A187 HydrophobicContact CB-CB 4.28Å; A153-A187 WeakPolarHBondContact CB-O 3.43Å; I162-A187 HydrophobicContact CG2-CB 3.74Å; A183-A187 WeakPolarHBondContact O-CB 3.38Å; A183-A187 PolarHBondContact O-N 3.37Å; V184-A187 PolarHBondContact O-N 3.29Å; L185-A187 PolarHBondContact O-N 3.14Å; A187-V190 PolarHBondContact O-N 2.66Å; A187-H191 WeakPolarHBondContact O-CB 3.42Å; A187-H191 PolarHBondContact O-N 3.27Å
188L98.9Very high98.4Very high1 Ų16.4 Ų6.41%0.0053%0.034CC..Hα-helixtrans-65.5-39.3175.5-72.5172.1000112.3Q159 I162 R163 V184 L185 Q186 H191 L192 L210 E213 M214Q159-L188 HydrophobicContact CB-CD2 4.44Å; Q159-L188 HydrophobicContact CG-CD2 4.43Å; I162-L188 HydrophobicContact CG2-CD2 4.44Å; R163-L188 HydrophobicContact CG-CD1 4.1Å; R163-L188 HydrophobicContact CG-CD2 4.01Å; R163-L188 HydrophobicContact CG-CG 4.3Å; V184-L188 HydrophobicContact CG1-CD1 3.8Å; V184-L188 HydrophobicContact CG1-CG 4.33Å; V184-L188 WeakPolarHBondContact O-CB 3.29Å; V184-L188 VanDerWaalsContact O-CG 3.31Å; V184-L188 WeakPolarHBondContact O-CG 3.22Å; V184-L188 PolarHBondContact O-N 3.44Å; L185-L188 PolarHBondContact O-N 3.1Å; Q186-L188 VanDerWaalsContact C-N 3.35Å; Q186-L188 PolarHBondContact O-N 2.85Å; L188-H191 PolarHBondContact O-N 2.92Å; L188-L192 WeakPolarHBondContact O-CG 3.35Å; L188-L192 PolarHBondContact O-N 3.03Å; L188-L210 HydrophobicContact CB-CD2 3.87Å; L188-E213 HydrophobicContact CD1-CB 3.75Å; L188-E213 HydrophobicContact CD1-CG 4.38Å; L188-M214 HydrophobicContact CD1-SD 4.46Å
189A98.9Very high98.2Very high0 Ų09.7 Ų9.70%05%0.049CC..Hα-helixtrans-63-44.3175.900000111.6L185 Q186 S193 F206 L210 I277 I321L185-A189 WeakPolarHBondContact O-CB 3.41Å; L185-A189 PolarHBondContact O-N 3.08Å; Q186-A189 PolarHBondContact O-N 3.47Å; A189-S193 VanDerWaalsContact O-CB 3.28Å; A189-S193 WeakPolarHBondContact O-CB 3.21Å; A189-S193 PolarHBondContact O-N 3.42Å; A189-F206 HydrophobicContact CB-CZ 4.38Å; A189-L210 HydrophobicContact CB-CD1 4.13Å; A189-L210 HydrophobicContact CB-CD2 4.35Å; A189-I277 HydrophobicContact CB-CD1 4.1Å; A189-I277 HydrophobicContact CB-CG1 4.03Å; A189-I321 HydrophobicContact CB-CD1 3.76Å; A189-I321 HydrophobicContact CB-CG1 4.01Å
190V98.9Very high97.8Very high0 Ų015.9 Ų15.90%08%0.081CC..Hα-helixtrans-62.5-44.2173.6176.20000110.7A150 A153 Q186 A187 S193 L194 A320 I321 A324A150-V190 HydrophobicContact CB-CG1 4.4Å; A150-V190 HydrophobicContact CB-CG2 4.08Å; A153-V190 HydrophobicContact CB-CB 3.91Å; A153-V190 HydrophobicContact CB-CG1 3.72Å; Q186-V190 WeakPolarHBondContact O-CG2 3.26Å; Q186-V190 PolarHBondContact O-N 2.86Å; A187-V190 PolarHBondContact O-N 2.66Å; V190-S193 PolarHBondContact O-N 3.31Å; V190-L194 VanDerWaalsContact O-CB 3.24Å; V190-L194 WeakPolarHBondContact O-CB 3.32Å; V190-L194 PolarHBondContact O-N 3.29Å; V190-A320 HydrophobicContact CG2-CB 3.94Å; V190-I321 HydrophobicContact CG2-CG1 3.86Å; V190-A324 HydrophobicContact CG1-CB 4.34Å
191H98.8Very high97.3Very high11 Ų1119.9 Ų19.95%0.05111%0.109CC..Hα-helixtrans-59.1-51.8177.3170.176.9000112.2A153 S157 Q159 I162 A187 L188 S193 L194 Q195A153-H191 HydrophobicContact CB-CB 3.99Å; S157-H191 PolarHBondContact O-CE1 2.76Å; Q159-H191 WeakPolarHBondContact CG-NE2 3.45Å; Q159-H191 PolarHBondContact NE2-NE2 3.05Å; I162-H191 HydrophobicContact CD1-CB 3.8Å; I162-H191 VanDerWaalsContact CD1-CG 3.48Å; I162-H191 WeakPolarHBondContact CD1-ND1 3.31Å; A187-H191 WeakPolarHBondContact O-CB 3.42Å; A187-H191 PolarHBondContact O-N 3.27Å; L188-H191 PolarHBondContact O-N 2.92Å; H191-S193 VanDerWaalsContact C-N 3.27Å; H191-S193 PolarHBondContact O-N 3.15Å; H191-L194 WeakPolarHBondContact O-CB 3.18Å; H191-L194 PolarHBondContact O-N 2.84Å; H191-Q195 WeakPolarHBondContact O-CG 3.5Å; H191-Q195 PolarHBondContact O-N 2.95Å
192L98.6Very high96.8Very high15 Ų1524.3 Ų24.38%0.07913%0.129CC..Hα-helixtrans-62.5-37.9179.4-69.3-178.9000111.5L188 Q195 G196 G197 F206 K209 L210L188-L192 WeakPolarHBondContact O-CG 3.35Å; L188-L192 PolarHBondContact O-N 3.03Å; L192-Q195 PolarHBondContact O-N 2.82Å; L192-G196 PolarHBondContact O-N 3Å; L192-G197 WeakPolarHBondContact O-CA 3.25Å; L192-G197 PolarHBondContact O-N 2.93Å; L192-F206 HydrophobicContact CB-CD2 3.91Å; L192-F206 HydrophobicContact CB-CE2 3.44Å; L192-F206 VanDerWaalsContact CB-CE2 3.44Å; L192-F206 HydrophobicContact CB-CZ 4.25Å; L192-F206 HydrophobicContact CD1-CD2 4.45Å; L192-F206 HydrophobicContact CD1-CE2 4.4Å; L192-K209 HydrophobicContact CD1-CB 3.84Å; L192-K209 HydrophobicContact CD2-CD 4.33Å; L192-L210 HydrophobicContact CD1-CD2 3.59Å; L192-L210 HydrophobicContact CD1-CG 3.85Å
193S98.6Very high96.3Very high0 Ų027.2 Ų27.20%014%0.14CC..Hα-helixtrans-63.2-46.2175.5-177.20000111.6A189 V190 H191 Q195 G196 I321 H325A189-S193 VanDerWaalsContact O-CB 3.28Å; A189-S193 WeakPolarHBondContact O-CB 3.21Å; A189-S193 PolarHBondContact O-N 3.42Å; V190-S193 PolarHBondContact O-N 3.31Å; H191-S193 VanDerWaalsContact C-N 3.27Å; H191-S193 PolarHBondContact O-N 3.15Å; S193-Q195 PolarHBondContact O-N 2.76Å; S193-G196 PolarHBondContact O-N 3.48Å; S193-I321 WeakPolarHBondContact CB-O 3.46Å; S193-I321 PolarHBondContact OG-O 2.66Å; S193-H325 WeakPolarHBondContact OG-CB 3.31Å; S193-H325 PolarHBondContact OG-N 3.25Å; S193-H325 VanDerWaalsContact OG-N 3.15Å
194L98.3Very high95.9Very high0 Ų031.3 Ų31.30%017%0.167CC..Hα-helixtrans-58.1-34.2176.6-173.869.2000112.2A15 R19 F20 L154 V190 H191 G196 A324A15-L194 HydrophobicContact CB-CD2 4.44Å; A15-L194 HydrophobicContact CB-CG 4.26Å; A15-L194 PolarHBondContact N-O 3.08Å; R19-L194 HydrophobicContact CB-CD1 3.57Å; R19-L194 VanDerWaalsContact CD-O 3.31Å; R19-L194 WeakPolarHBondContact CD-O 3.19Å; F20-L194 HydrophobicContact CD2-CD1 3.65Å; F20-L194 HydrophobicContact CD2-CD2 4.43Å; F20-L194 HydrophobicContact CE2-CD1 3.73Å; F20-L194 HydrophobicContact CE2-CD2 3.75Å; F20-L194 HydrophobicContact CE2-CG 4.15Å; F20-L194 HydrophobicContact CZ-CD2 4.05Å; L154-L194 HydrophobicContact CD2-CD1 4.17Å; L154-L194 HydrophobicContact CD2-CD2 4.01Å; V190-L194 VanDerWaalsContact O-CB 3.24Å; V190-L194 WeakPolarHBondContact O-CB 3.32Å; V190-L194 PolarHBondContact O-N 3.29Å; H191-L194 WeakPolarHBondContact O-CB 3.18Å; H191-L194 PolarHBondContact O-N 2.84Å; L194-G196 VanDerWaalsContact C-N 3.25Å; L194-G196 PolarHBondContact O-N 3.26Å; L194-A324 HydrophobicContact CB-CB 4.31Å
195Q97.6Very high95.7Very high68 Ų6834 Ų3432%0.31818%0.184SC..THydrogen-bonded Turntrans-82.58.5176.4-61.1-55.6-44.800114.1H191 L192 S193 Y356H191-Q195 WeakPolarHBondContact O-CG 3.5Å; H191-Q195 PolarHBondContact O-N 2.95Å; L192-Q195 PolarHBondContact O-N 2.82Å; S193-Q195 PolarHBondContact O-N 2.76Å; Q195-Y356 PolarHBondContact NE2-OH 3.2Å
196G96.5Very high95.6Very high3 Ų334.2 Ų34.23%0.03118%0.184CC..THydrogen-bonded Turntrans80.117.3-179.400000114.2L192 S193 L194 L198 E199L192-G196 PolarHBondContact O-N 3Å; S193-G196 PolarHBondContact O-N 3.48Å; L194-G196 VanDerWaalsContact C-N 3.25Å; L194-G196 PolarHBondContact O-N 3.26Å; G196-L198 PolarHBondContact O-N 3.3Å; G196-L198 VanDerWaalsContact O-N 3.11Å; G196-E199 WeakPolarHBondContact O-CB 3.25Å; G196-E199 PolarHBondContact O-N 3.3Å
197G96.8Very high95.6Very high10 Ų1034.9 Ų34.910%0.10319%0.188CC..THydrogen-bonded Turntrans-63-18.5-176.400000115.2L192 H202 R203L192-G197 WeakPolarHBondContact O-CA 3.25Å; L192-G197 PolarHBondContact O-N 2.93Å; G197-H202 CarbonylContact O-C 3.57Å; G197-R203 WeakPolarHBondContact O-CA 3.44Å; G197-R203 PolarHBondContact O-N 2.89Å
198L96.2Very high95.5Very high0 Ų037.9 Ų37.90%020%0.204CC..THydrogen-bonded Turntrans-91.6-4.4176.5-66.6175.1000113.5G196 R203 F206 V280 L281 L284 I321 H325G196-L198 PolarHBondContact O-N 3.3Å; G196-L198 VanDerWaalsContact O-N 3.11Å; L198-R203 PolarHBondContact O-NE 3.22Å; L198-F206 HydrophobicContact CD1-CE2 4.41Å; L198-F206 HydrophobicContact CD2-CB 4.19Å; L198-F206 HydrophobicContact CD2-CD1 3.81Å; L198-F206 HydrophobicContact CD2-CD2 3.6Å; L198-F206 HydrophobicContact CD2-CE1 4.02Å; L198-F206 HydrophobicContact CD2-CE2 3.81Å; L198-F206 HydrophobicContact CD2-CG 3.59Å; L198-F206 HydrophobicContact CD2-CZ 4.02Å; L198-F206 HydrophobicContact CG-CD2 3.86Å; L198-F206 HydrophobicContact CG-CE2 3.79Å; L198-F206 HydrophobicContact CG-CG 4.36Å; L198-F206 HydrophobicContact CG-CZ 4.27Å; L198-V280 HydrophobicContact CD1-CG1 3.75Å; L198-L281 HydrophobicContact CD2-CD2 3.48Å; L198-L281 VanDerWaalsContact CD2-CD2 3.48Å; L198-L284 HydrophobicContact CB-CD2 4.41Å; L198-L284 HydrophobicContact CD2-CD1 4.26Å; L198-I321 HydrophobicContact CD1-CG2 4.13Å; L198-H325 HydrophobicContact CB-CB 4.48Å; L198-H325 HydrophobicContact CD1-CB 3.94Å
199E93.5Very high95.5Very high78 Ų7842.2 Ų42.236%0.36422%0.223SC..SBendtrans-83.1153.7173.2-63.7179.2178.100111.4R19 G196 H202 R203R19-E199 IonicContact CZ-OE1 2.63Å; R19-E199 IonicContact NH1-OE1 3.79Å; R19-E199 IonicContact NH2-OE1 3.91Å; R19-E199 PolarHBondContact NH2-OE1 2.74Å; G196-E199 WeakPolarHBondContact O-CB 3.25Å; G196-E199 PolarHBondContact O-N 3.3Å; E199-H202 CarbonylContact O-C 3.59Å; E199-H202 WeakPolarHBondContact O-CA 3.34Å; E199-H202 PolarHBondContact O-N 3.49Å; E199-R203 PolarHBondContact O-N 3.28Å
200L90.3Very high95.5Very high129 Ų12942.2 Ų42.268%0.67522%0.223SC*.THydrogen-bonded Turntrans-72.4141170-70.1173.9000110.1R203L200-R203 HydrophobicContact CD2-CB 4.2Å
201P88.2Confident95.4Very high99 Ų9942.5 Ų42.564%0.64322%0.224SC*.THydrogen-bonded Turncis-91.66.5637.1-36.6000114.5P204P201-P204 WeakPolarHBondContact O-CD 3.39Å
202H89.3Confident95.4Very high95 Ų9545.1 Ų45.144%0.4424%0.244SC..THydrogen-bonded Turntrans-77-27.2-172.5-57.2-52.6000114.1G197 E199 P204 T205 F206G197-H202 CarbonylContact O-C 3.57Å; E199-H202 CarbonylContact O-C 3.59Å; E199-H202 WeakPolarHBondContact O-CA 3.34Å; E199-H202 PolarHBondContact O-N 3.49Å; H202-P204 VanDerWaalsContact C-CD 3.41Å; H202-P204 VanDerWaalsContact O-N 3.16Å; H202-T205 WeakPolarHBondContact O-CA 3.3Å; H202-T205 PolarHBondContact O-N 3.08Å; H202-T205 PolarHBondContact O-OG1 3.34Å; H202-F206 PolarHBondContact O-N 3.19Å
203R88.8Confident95.4Very high60 Ų6046.4 Ų46.423%0.22625%0.249CC..Hα-helixtrans-42.9-47.8-177.6-174.7-171.5-67.4-171.2-7.4114.8G197 L198 E199 L200 T205 F206 L284 E285G197-R203 WeakPolarHBondContact O-CA 3.44Å; G197-R203 PolarHBondContact O-N 2.89Å; L198-R203 PolarHBondContact O-NE 3.22Å; E199-R203 PolarHBondContact O-N 3.28Å; L200-R203 HydrophobicContact CD2-CB 4.2Å; R203-T205 PolarHBondContact O-N 3.4Å; R203-T205 VanDerWaalsContact O-N 3.13Å; R203-F206 WeakPolarHBondContact O-CB 3.41Å; R203-F206 PolarHBondContact O-N 3.03Å; R203-F206 VanDerWaalsContact O-N 3.16Å; R203-L284 HydrophobicContact CG-CD1 3.84Å; R203-E285 IonicContact CZ-OE1 2.7Å; R203-E285 IonicContact NH1-OE1 3.44Å; R203-E285 PolarHBondContact NH1-OE1 3.49Å
204P89.4Confident95.4Very high87 Ų8746.4 Ų46.457%0.56525%0.249SC*.Hα-helixtrans-64.3-19.5-179.6-20.935.4000113.9P201 H202P201-P204 WeakPolarHBondContact O-CD 3.39Å; H202-P204 VanDerWaalsContact C-CD 3.41Å; H202-P204 VanDerWaalsContact O-N 3.16Å
205T94.4Very high95.4Very high57 Ų5750.7 Ų50.735%0.3527%0.27SS..Hα-helixtrans-95.2-10.6179.568.20000113.6H202 R203 I207 N208 K209H202-T205 WeakPolarHBondContact O-CA 3.3Å; H202-T205 PolarHBondContact O-N 3.08Å; H202-T205 PolarHBondContact O-OG1 3.34Å; R203-T205 PolarHBondContact O-N 3.4Å; R203-T205 VanDerWaalsContact O-N 3.13Å; T205-I207 PolarHBondContact O-N 3.31Å; T205-N208 PolarHBondContact O-N 2.85Å; T205-K209 WeakPolarHBondContact O-CG 3.38Å; T205-K209 PolarHBondContact O-N 3.33Å
206F97.8Very high95.3Very high3 Ų350.2 Ų50.21%0.01328%0.277CS..Hα-helixtrans-54.9-53.1-175-178.5-89.5000112.1A189 L192 L198 H202 R203 N208 K209 L210 I277 L281A189-F206 HydrophobicContact CB-CZ 4.38Å; L192-F206 HydrophobicContact CB-CD2 3.91Å; L192-F206 HydrophobicContact CB-CE2 3.44Å; L192-F206 VanDerWaalsContact CB-CE2 3.44Å; L192-F206 HydrophobicContact CB-CZ 4.25Å; L192-F206 HydrophobicContact CD1-CD2 4.45Å; L192-F206 HydrophobicContact CD1-CE2 4.4Å; L198-F206 HydrophobicContact CD1-CE2 4.41Å; L198-F206 HydrophobicContact CD2-CB 4.19Å; L198-F206 HydrophobicContact CD2-CD1 3.81Å; L198-F206 HydrophobicContact CD2-CD2 3.6Å; L198-F206 HydrophobicContact CD2-CE1 4.02Å; L198-F206 HydrophobicContact CD2-CE2 3.81Å; L198-F206 HydrophobicContact CD2-CG 3.59Å; L198-F206 HydrophobicContact CD2-CZ 4.02Å; L198-F206 HydrophobicContact CG-CD2 3.86Å; L198-F206 HydrophobicContact CG-CE2 3.79Å; L198-F206 HydrophobicContact CG-CG 4.36Å; L198-F206 HydrophobicContact CG-CZ 4.27Å; H202-F206 PolarHBondContact O-N 3.19Å; R203-F206 WeakPolarHBondContact O-CB 3.41Å; R203-F206 PolarHBondContact O-N 3.03Å; R203-F206 VanDerWaalsContact O-N 3.16Å; F206-N208 PolarHBondContact O-N 3.22Å; F206-K209 PolarHBondContact O-N 2.89Å; F206-L210 HydrophobicContact CD1-CD1 4.05Å; F206-L210 HydrophobicContact CE1-CD1 3.48Å; F206-L210 VanDerWaalsContact CE1-CD1 3.48Å; F206-L210 HydrophobicContact CE1-CG 4.34Å; F206-L210 HydrophobicContact CZ-CD1 4.09Å; F206-L210 PolarHBondContact O-N 3.39Å; F206-I277 HydrophobicContact CE1-CG2 4.4Å; F206-L281 HydrophobicContact CD1-CD2 4.01Å; F206-L281 HydrophobicContact CE1-CD2 4.45Å
207I97.9Very high95.3Very high16 Ų1650.2 Ų50.28%0.08228%0.277CS..Hα-helixtrans-66-38.7-178.9-164.268.3000112T205 K209 L210 I211 L241 V244 K245 I277 L281T205-I207 PolarHBondContact O-N 3.31Å; I207-K209 VanDerWaalsContact C-N 3.31Å; I207-K209 PolarHBondContact O-N 2.76Å; I207-L210 PolarHBondContact O-N 3.41Å; I207-I211 HydrophobicContact CG1-CD1 4.31Å; I207-I211 WeakPolarHBondContact O-CG1 3.39Å; I207-I211 PolarHBondContact O-N 3.31Å; I207-L241 HydrophobicContact CD1-CB 4.28Å; I207-L241 HydrophobicContact CD1-CD2 3.6Å; I207-V244 HydrophobicContact CD1-CB 4.27Å; I207-V244 HydrophobicContact CD1-CG1 3.86Å; I207-K245 HydrophobicContact CG1-CB 4.43Å; I207-K245 HydrophobicContact CG2-CB 4.42Å; I207-K245 HydrophobicContact CG2-CD 4.41Å; I207-K245 HydrophobicContact CG2-CG 4.29Å; I207-I277 HydrophobicContact CD1-CG2 4.23Å; I207-L281 HydrophobicContact CD1-CD1 4.11Å
208N98Very high95.4Very high64 Ų6449.9 Ų49.934%0.34227%0.272SS..Hα-helixtrans-67.2-33.7179-62.5-38.6000111.7T205 F206 I211 S212 K245T205-N208 PolarHBondContact O-N 2.85Å; F206-N208 PolarHBondContact O-N 3.22Å; N208-I211 PolarHBondContact O-N 3.04Å; N208-S212 PolarHBondContact O-N 3.34Å; N208-K245 PolarHBondContact OD1-NZ 3.14Å
209K98.2Very high95.4Very high92 Ų9251.9 Ų51.940%0.429%0.289SS..Hα-helixtrans-64.7-44.2172.7-72.6177.4-179-176.40111.1L192 T205 F206 I207 S212 E213L192-K209 HydrophobicContact CD1-CB 3.84Å; L192-K209 HydrophobicContact CD2-CD 4.33Å; T205-K209 WeakPolarHBondContact O-CG 3.38Å; T205-K209 PolarHBondContact O-N 3.33Å; F206-K209 PolarHBondContact O-N 2.89Å; I207-K209 VanDerWaalsContact C-N 3.31Å; I207-K209 PolarHBondContact O-N 2.76Å; K209-S212 PolarHBondContact O-N 3.14Å; K209-E213 WeakPolarHBondContact O-CG 3.42Å; K209-E213 PolarHBondContact O-N 3.42Å
210L98.6Very high95.5Very high0 Ų051.7 Ų51.70%029%0.288CS..Hα-helixtrans-61.5-43.4175.4-68.7178.3000112.2L185 L188 A189 L192 F206 I207 E213 M214 L241 I277L185-L210 HydrophobicContact CD1-CB 4.23Å; L185-L210 HydrophobicContact CD1-CD1 4.3Å; L185-L210 HydrophobicContact CD1-CD2 4.13Å; L185-L210 HydrophobicContact CD1-CG 4.46Å; L188-L210 HydrophobicContact CB-CD2 3.87Å; A189-L210 HydrophobicContact CB-CD1 4.13Å; A189-L210 HydrophobicContact CB-CD2 4.35Å; L192-L210 HydrophobicContact CD1-CD2 3.59Å; L192-L210 HydrophobicContact CD1-CG 3.85Å; F206-L210 HydrophobicContact CD1-CD1 4.05Å; F206-L210 HydrophobicContact CE1-CD1 3.48Å; F206-L210 VanDerWaalsContact CE1-CD1 3.48Å; F206-L210 HydrophobicContact CE1-CG 4.34Å; F206-L210 HydrophobicContact CZ-CD1 4.09Å; F206-L210 PolarHBondContact O-N 3.39Å; I207-L210 PolarHBondContact O-N 3.41Å; L210-E213 PolarHBondContact O-N 3.04Å; L210-M214 WeakPolarHBondContact O-CB 3.18Å; L210-M214 WeakPolarHBondContact O-CG 3.33Å; L210-M214 PolarHBondContact O-N 3.41Å; L210-L241 HydrophobicContact CB-CD1 4.08Å; L210-I277 HydrophobicContact CD1-CD1 4.08Å; L210-I277 HydrophobicContact CD1-CG2 4.33Å
211I98.7Very high95.7Very high6 Ų651.2 Ų51.23%0.03129%0.286CS..Hα-helixtrans-57.4-51.6175.6-68.4163.3000110I207 N208 E213 M214 E215 L241I207-I211 HydrophobicContact CG1-CD1 4.31Å; I207-I211 WeakPolarHBondContact O-CG1 3.39Å; I207-I211 PolarHBondContact O-N 3.31Å; N208-I211 PolarHBondContact O-N 3.04Å; I211-E213 VanDerWaalsContact C-N 3.33Å; I211-E213 PolarHBondContact O-N 2.82Å; I211-M214 PolarHBondContact O-N 3.41Å; I211-M214 VanDerWaalsContact O-N 3.09Å; I211-E215 HydrophobicContact CG2-CG 4.34Å; I211-E215 WeakPolarHBondContact O-CG 3.37Å; I211-E215 PolarHBondContact O-N 3.43Å; I211-L241 HydrophobicContact CD1-CB 4.14Å; I211-L241 HydrophobicContact CG1-CB 3.51Å; I211-L241 HydrophobicContact CG1-CD1 4.04Å; I211-L241 HydrophobicContact CG1-CG 4.42Å
212S98.3Very high95.9Very high66 Ų6649 Ų4946%0.46228%0.276SS..Hα-helixtrans-61.1-38.8-179.1-174.90000113.3N208 K209N208-S212 PolarHBondContact O-N 3.34Å; K209-S212 PolarHBondContact O-N 3.14Å
213E98Very high96.1Very high41 Ų4144.5 Ų44.519%0.19226%0.255CS..Hα-helixtrans-68.4-37.4175.2-68.7-56.2139.100112.2Q159 R163 L188 K209 L210 I211 A216 V217Q159-E213 PolarHBondContact OE1-OE1 3.17Å; R163-E213 IonicContact CZ-OE2 3.61Å; R163-E213 IonicContact NE-OE2 3.7Å; R163-E213 IonicContact NH1-OE2 2.63Å; R163-E213 PolarHBondContact NH1-OE2 2.77Å; L188-E213 HydrophobicContact CD1-CB 3.75Å; L188-E213 HydrophobicContact CD1-CG 4.38Å; K209-E213 WeakPolarHBondContact O-CG 3.42Å; K209-E213 PolarHBondContact O-N 3.42Å; L210-E213 PolarHBondContact O-N 3.04Å; I211-E213 VanDerWaalsContact C-N 3.33Å; I211-E213 PolarHBondContact O-N 2.82Å; E213-A216 PolarHBondContact O-N 3.44Å; E213-V217 WeakPolarHBondContact O-CG2 3.32Å; E213-V217 PolarHBondContact O-N 2.81Å
214M98.5Very high96.4Very high0 Ų044.5 Ų44.50%026%0.255CS..Hα-helixtrans-73.1-32.4178.1-70.1-50.5-61.500112.8N181 V184 L185 L188 L210 I211 A216 V217 E218 F237 C238 L241N181-M214 HydrophobicContact CB-CE 3.97Å; V184-M214 HydrophobicContact CG1-SD 4.43Å; L185-M214 HydrophobicContact CB-CE 4.26Å; L185-M214 HydrophobicContact CB-CG 4.44Å; L185-M214 HydrophobicContact CB-SD 3.79Å; L185-M214 HydrophobicContact CD1-CG 3.85Å; L185-M214 HydrophobicContact CD1-SD 4.21Å; L188-M214 HydrophobicContact CD1-SD 4.46Å; L210-M214 WeakPolarHBondContact O-CB 3.18Å; L210-M214 WeakPolarHBondContact O-CG 3.33Å; L210-M214 PolarHBondContact O-N 3.41Å; I211-M214 PolarHBondContact O-N 3.41Å; I211-M214 VanDerWaalsContact O-N 3.09Å; M214-A216 VanDerWaalsContact C-N 3.25Å; M214-A216 PolarHBondContact O-N 3.4Å; M214-V217 HydrophobicContact CE-CB 4.2Å; M214-V217 HydrophobicContact CE-CG1 3.75Å; M214-V217 PolarHBondContact O-N 3.28Å; M214-V217 VanDerWaalsContact O-N 3.09Å; M214-V217 HydrophobicContact SD-CB 4.34Å; M214-V217 HydrophobicContact SD-CG1 4.32Å; M214-E218 HydrophobicContact CE-CG 4.15Å; M214-E218 WeakPolarHBondContact O-CB 3.35Å; M214-E218 WeakPolarHBondContact O-CG 3.39Å; M214-E218 PolarHBondContact O-N 3.23Å; M214-F237 HydrophobicContact CE-CB 3.85Å; M214-F237 HydrophobicContact CE-CD2 4.04Å; M214-F237 HydrophobicContact CE-CG 4.06Å; M214-C238 VanDerWaalsContact C-SG 3.58Å; M214-L241 HydrophobicContact CB-CD1 4.39Å; M214-L241 HydrophobicContact CG-CD1 4.02Å
215E98.3Very high96.6Very high91 Ų9143 Ų4343%0.42525%0.246SC..Hα-helixtrans-55.8-43.9172.3-75.7172.9167.100110.7I211 A219 C238I211-E215 HydrophobicContact CG2-CG 4.34Å; I211-E215 WeakPolarHBondContact O-CG 3.37Å; I211-E215 PolarHBondContact O-N 3.43Å; E215-A219 VanDerWaalsContact O-CB 3.24Å; E215-A219 WeakPolarHBondContact O-CB 3.38Å; E215-A219 PolarHBondContact O-N 3.18Å; E215-A219 VanDerWaalsContact O-N 3.08Å; E215-C238 PolarHBondContact N-SG 2.94Å; E215-C238 VanDerWaalsContact N-SG 3.36Å
216A95.8Very high96.6Very high58 Ų5841.4 Ų41.448%0.47924%0.236SC..Hα-helixtrans-67.2-37.7176.800000112.7E213 M214E213-A216 PolarHBondContact O-N 3.44Å; M214-A216 VanDerWaalsContact C-N 3.25Å; M214-A216 PolarHBondContact O-N 3.4Å
217V97Very high96.4Very high3 Ų341.4 Ų41.42%0.01824%0.237CC..Hα-helixtrans-71-40.2179.9162.80000112.1N181 V184 E213 M214 E220N181-V217 HydrophobicContact CB-CG1 4.1Å; N181-V217 VanDerWaalsContact CG-CG1 3.41Å; N181-V217 WeakPolarHBondContact OD1-CG1 3.45Å; V184-V217 HydrophobicContact CG1-CG1 4.49Å; V184-V217 HydrophobicContact CG1-CG2 3.98Å; E213-V217 WeakPolarHBondContact O-CG2 3.32Å; E213-V217 PolarHBondContact O-N 2.81Å; M214-V217 HydrophobicContact CE-CB 4.2Å; M214-V217 HydrophobicContact CE-CG1 3.75Å; M214-V217 PolarHBondContact O-N 3.28Å; M214-V217 VanDerWaalsContact O-N 3.09Å; M214-V217 HydrophobicContact SD-CB 4.34Å; M214-V217 HydrophobicContact SD-CG1 4.32Å; V217-E220 WeakPolarHBondContact O-CG 3.49Å
218E98.1Very high96.3Very high3 Ų349 Ų491%0.01426%0.264CS..Hα-helixtrans-85-16.4-176.7-65.2-171.7124.700112.8M214 E220 F235 P236 F237 C238M214-E218 HydrophobicContact CE-CG 4.15Å; M214-E218 WeakPolarHBondContact O-CB 3.35Å; M214-E218 WeakPolarHBondContact O-CG 3.39Å; M214-E218 PolarHBondContact O-N 3.23Å; E218-E220 PolarHBondContact O-N 3.31Å; E218-F235 HydrophobicContact CB-CD1 3.66Å; E218-F235 HydrophobicContact CB-CE1 4.28Å; E218-F235 HydrophobicContact CB-CG 4.44Å; E218-F235 VanDerWaalsContact OE2-CA 3.31Å; E218-F235 WeakPolarHBondContact OE2-CA 3.2Å; E218-P236 WeakPolarHBondContact OE1-CD 3.47Å; E218-P236 VanDerWaalsContact OE1-CG 3.28Å; E218-P236 WeakPolarHBondContact OE1-CG 3.41Å; E218-F237 WeakPolarHBondContact OE1-CB 3.46Å; E218-F237 VanDerWaalsContact OE1-CD2 3.27Å; E218-F237 WeakPolarHBondContact OE1-CD2 3.34Å; E218-F237 PolarHBondContact OE1-N 3.48Å; E218-F237 PolarHBondContact OE2-N 3.14Å; E218-C238 PolarHBondContact OE2-N 2.69Å; E218-C238 PolarHBondContact OE2-SG 3.1Å
219A97Very high96.2Very high41 Ų4149.2 Ų49.234%0.33927%0.268SS..THydrogen-bonded Turntrans-68.6-10.4171.500000114.1E215 R224 F235E215-A219 VanDerWaalsContact O-CB 3.24Å; E215-A219 WeakPolarHBondContact O-CB 3.38Å; E215-A219 PolarHBondContact O-N 3.18Å; E215-A219 VanDerWaalsContact O-N 3.08Å; A219-R224 PolarHBondContact O-NH1 3.06Å; A219-R224 VanDerWaalsContact O-NH1 3.08Å; A219-R224 PolarHBondContact O-NH2 3.11Å; A219-R224 VanDerWaalsContact O-NH2 3.15Å; A219-F235 HydrophobicContact CB-CE1 4.21Å
220E95.4Very high96Very high74 Ų7447.8 Ų47.835%0.34626%0.261SS..SBendtrans-65.6138.6175.8-65.5179.5-156.200111.4R167 V217 E218 A222 A223 R224R167-E220 IonicContact CZ-OE1 3.92Å; R167-E220 IonicContact CZ-OE2 3.19Å; R167-E220 IonicContact NH1-OE1 3.92Å; R167-E220 PolarHBondContact NH1-OE1 2.82Å; R167-E220 IonicContact NH1-OE2 2.81Å; R167-E220 PolarHBondContact NH1-OE2 3.18Å; R167-E220 IonicContact NH2-OE1 3.81Å; R167-E220 PolarHBondContact NH2-OE1 2.93Å; R167-E220 IonicContact NH2-OE2 2.79Å; V217-E220 WeakPolarHBondContact O-CG 3.49Å; E218-E220 PolarHBondContact O-N 3.31Å; E220-A222 VanDerWaalsContact C-N 3.26Å; E220-A222 PolarHBondContact O-N 3.1Å; E220-A223 HydrophobicContact CB-CB 4.47Å; E220-A223 WeakPolarHBondContact O-CB 3.32Å; E220-A223 PolarHBondContact O-N 3.06Å; E220-R224 PolarHBondContact O-N 2.9Å
221D94.7Very high95.8Very high120 Ų12053.1 Ų53.164%0.64230%0.299SS*.Hα-helixtrans-58.2-36.4-176.6-78.9-30.5000113.7A223 R224 S225D221-A223 VanDerWaalsContact C-N 3.35Å; D221-R224 IonicContact OD1-CZ 3.65Å; D221-R224 IonicContact OD1-NE 2.7Å; D221-R224 IonicContact OD1-NH2 2.68Å; D221-R224 PolarHBondContact OD1-NH2 3.31Å; D221-S225 WeakPolarHBondContact O-CB 3.4Å; D221-S225 PolarHBondContact O-N 2.92Å
222A92.5Very high95.7Very high51 Ų5155.7 Ų55.742%0.42131%0.311SS..Hα-helixtrans-63.2-41.5176.800000111.6E220 S225 D226E220-A222 VanDerWaalsContact C-N 3.26Å; E220-A222 PolarHBondContact O-N 3.1Å; A222-S225 WeakPolarHBondContact O-CB 3.38Å; A222-S225 PolarHBondContact O-N 3.15Å; A222-D226 PolarHBondContact O-N 2.96Å; A222-D226 VanDerWaalsContact O-N 3.14Å
223A93.3Very high95.6Very high2 Ų254.5 Ų54.52%0.01730%0.302CS..Hα-helixtrans-63.5-50.6178.500000111.3S177 E220 D221 S225 D226 S227S177-A223 WeakPolarHBondContact OG-CA 3.34Å; S177-A223 PolarHBondContact OG-O 3.34Å; E220-A223 HydrophobicContact CB-CB 4.47Å; E220-A223 WeakPolarHBondContact O-CB 3.32Å; E220-A223 PolarHBondContact O-N 3.06Å; D221-A223 VanDerWaalsContact C-N 3.35Å; A223-S225 PolarHBondContact O-N 3.41Å; A223-D226 PolarHBondContact O-N 3.02Å; A223-S227 PolarHBondContact O-N 2.71Å; A223-S227 PolarHBondContact O-OG 3.31Å
224R93.9Very high95.5Very high60 Ų6057.6 Ų57.623%0.22632%0.317CS..Hα-helixtrans-61.2-32.8176.4-64.5-167.6-72-121.9-6.2113.5A219 E220 D221 R228 E234A219-R224 PolarHBondContact O-NH1 3.06Å; A219-R224 VanDerWaalsContact O-NH1 3.08Å; A219-R224 PolarHBondContact O-NH2 3.11Å; A219-R224 VanDerWaalsContact O-NH2 3.15Å; E220-R224 PolarHBondContact O-N 2.9Å; D221-R224 IonicContact OD1-CZ 3.65Å; D221-R224 IonicContact OD1-NE 2.7Å; D221-R224 IonicContact OD1-NH2 2.68Å; D221-R224 PolarHBondContact OD1-NH2 3.31Å; R224-R228 WeakPolarHBondContact O-CG 3.41Å; R224-R228 PolarHBondContact O-N 3.5Å; R224-R228 PolarHBondContact O-NE 3.34Å; R224-E234 WeakPolarHBondContact CD-OE1 3.27Å; R224-E234 HydrophobicContact CG-CG 3.84Å; R224-E234 IonicContact NE-OE1 3.66Å; R224-E234 IonicContact NH1-OE1 3.79Å
225S94.4Very high95.4Very high54 Ų5460.4 Ų60.438%0.37833%0.329SS..Hα-helixtrans-63.5-50.8176.1-173.10000111.2D221 A222 A223 R228 V229D221-S225 WeakPolarHBondContact O-CB 3.4Å; D221-S225 PolarHBondContact O-N 2.92Å; A222-S225 WeakPolarHBondContact O-CB 3.38Å; A222-S225 PolarHBondContact O-N 3.15Å; A223-S225 PolarHBondContact O-N 3.41Å; S225-R228 PolarHBondContact O-N 3.45Å; S225-V229 WeakPolarHBondContact O-CG2 3.48Å; S225-V229 PolarHBondContact O-N 3.09Å
226D95.2Very high95.4Very high25 Ų2556.2 Ų56.213%0.13431%0.31CS..Hα-helixtrans-64.7-43.4179.4-70.9-20000111.6S177 A222 A223 R228 V229 F230S177-D226 WeakPolarHBondContact CB-OD2 3.44Å; S177-D226 PolarHBondContact N-OD2 3.29Å; S177-D226 VanDerWaalsContact OG-CB 3.24Å; S177-D226 WeakPolarHBondContact OG-CB 3.47Å; S177-D226 PolarHBondContact OG-OD2 2.89Å; A222-D226 PolarHBondContact O-N 2.96Å; A222-D226 VanDerWaalsContact O-N 3.14Å; A223-D226 PolarHBondContact O-N 3.02Å; D226-R228 VanDerWaalsContact C-N 3.26Å; D226-R228 PolarHBondContact O-N 3.15Å; D226-V229 WeakPolarHBondContact O-CB 3.39Å; D226-V229 PolarHBondContact O-N 2.87Å; D226-F230 VanDerWaalsContact O-CD2 3.24Å; D226-F230 WeakPolarHBondContact O-CD2 3.47Å; D226-F230 PolarHBondContact O-N 3.34Å
227S93.8Very high95.6Very high3 Ų353.5 Ų53.52%0.02129%0.287CS..Hα-helixtrans-55-43.3176.8-61.90000112.1A223 V229 F230 S231 E232 S233A223-S227 PolarHBondContact O-N 2.71Å; A223-S227 PolarHBondContact O-OG 3.31Å; S227-V229 VanDerWaalsContact C-N 3.35Å; S227-V229 PolarHBondContact O-N 2.84Å; S227-F230 CarbonylContact O-C 3.39Å; S227-F230 PolarHBondContact O-N 3Å; S227-S231 PolarHBondContact O-N 3.42Å; S227-E232 PolarHBondContact O-N 3.23Å; S227-S233 WeakPolarHBondContact CB-O 3.36Å; S227-S233 PolarHBondContact OG-O 2.94Å
228R95.2Very high95.7Very high174 Ų17453.5 Ų53.566%0.65729%0.288SS*.Hα-helixtrans-63.2-38.3175.8-74.4-178.3-68.7-142.50.7112.9R224 S225 D226 F230 S231R224-R228 WeakPolarHBondContact O-CG 3.41Å; R224-R228 PolarHBondContact O-N 3.5Å; R224-R228 PolarHBondContact O-NE 3.34Å; S225-R228 PolarHBondContact O-N 3.45Å; D226-R228 VanDerWaalsContact C-N 3.26Å; D226-R228 PolarHBondContact O-N 3.15Å; R228-F230 VanDerWaalsContact C-N 3.28Å; R228-F230 PolarHBondContact O-N 2.94Å; R228-S231 PolarHBondContact O-N 3.43Å
229V94.9Very high95.7Very high69 Ų6957.1 Ų57.142%0.41831%0.307SS..Hα-helixtrans-62.1-39.1176.8169.60000110.9S225 D226 S227S225-V229 WeakPolarHBondContact O-CG2 3.48Å; S225-V229 PolarHBondContact O-N 3.09Å; D226-V229 WeakPolarHBondContact O-CB 3.39Å; D226-V229 PolarHBondContact O-N 2.87Å; S227-V229 VanDerWaalsContact C-N 3.35Å; S227-V229 PolarHBondContact O-N 2.84Å
230F93.6Very high95.8Very high62 Ų6258 Ų5827%0.27230%0.301SS..THydrogen-bonded Turntrans-936.2-178.7-66.2-73.1000114.1H138 F141 C176 L178 D226 S227 R228 E232H138-F230 HydrophobicContact CB-CE2 4.46Å; H138-F230 HydrophobicContact CB-CZ 3.99Å; F141-F230 HydrophobicContact CD1-CD1 4.31Å; F141-F230 AromaticContact CD1-CE1 3.82Å; F141-F230 HydrophobicContact CD1-CE1 3.82Å; F141-F230 AromaticContact CD1-CZ 3.95Å; F141-F230 HydrophobicContact CD1-CZ 3.95Å; F141-F230 HydrophobicContact CE1-CD1 4.3Å; F141-F230 AromaticContact CE1-CE1 3.83Å; F141-F230 HydrophobicContact CE1-CE1 3.83Å; F141-F230 HydrophobicContact CE1-CZ 4.37Å; C176-F230 VanDerWaalsContact SG-CE2 3.59Å; L178-F230 HydrophobicContact CD1-CB 4Å; L178-F230 HydrophobicContact CD1-CD2 3.83Å; L178-F230 HydrophobicContact CD1-CG 4.05Å; D226-F230 VanDerWaalsContact O-CD2 3.24Å; D226-F230 WeakPolarHBondContact O-CD2 3.47Å; D226-F230 PolarHBondContact O-N 3.34Å; S227-F230 CarbonylContact O-C 3.39Å; S227-F230 PolarHBondContact O-N 3Å; R228-F230 VanDerWaalsContact C-N 3.28Å; R228-F230 PolarHBondContact O-N 2.94Å; F230-E232 HydrophobicContact CB-CG 4.23Å; F230-E232 PolarHBondContact O-N 3.29Å
231S96Very high95.9Very high112 Ų11254.4 Ų54.478%0.78329%0.285SS*.THydrogen-bonded Turntrans58.128.2-176.7-48.70000114.2S227 R228S227-S231 PolarHBondContact O-N 3.42Å; R228-S231 PolarHBondContact O-N 3.43Å
232E96.8Very high96.1Very high61 Ų6152.2 Ų52.229%0.28527%0.27SS..  trans-84.5165171.9-67.1-61.816200111L178 S227 F230 P236 L270L178-E232 HydrophobicContact CD1-CG 4.12Å; S227-E232 PolarHBondContact O-N 3.23Å; F230-E232 HydrophobicContact CB-CG 4.23Å; F230-E232 PolarHBondContact O-N 3.29Å; E232-P236 HydrophobicContact CB-CB 4.21Å; E232-L270 HydrophobicContact CG-CD2 4.18Å
233S95.3Very high96.3Very high40 Ų4055 Ų5528%0.2827%0.27SS..  trans-65.4169.6174.872.10000112S227 F235 P236 D239S227-S233 WeakPolarHBondContact CB-O 3.36Å; S227-S233 PolarHBondContact OG-O 2.94Å; S233-F235 PolarHBondContact O-N 3.01Å; S233-P236 WeakPolarHBondContact O-CD 3.39Å; S233-P236 VanDerWaalsContact OG-CA 3.31Å; S233-P236 WeakPolarHBondContact OG-CA 3.43Å; S233-D239 WeakPolarHBondContact CB-OD2 3.27Å; S233-D239 PolarHBondContact OG-OD2 3.41Å
234E94.9Very high96.5Very high106 Ų10655 Ų5550%0.49527%0.269SS..SBendtrans-65.3-30.5178.9-169.7175.8-15700112.2R224R224-E234 WeakPolarHBondContact CD-OE1 3.27Å; R224-E234 HydrophobicContact CG-CG 3.84Å; R224-E234 IonicContact NE-OE1 3.66Å; R224-E234 IonicContact NH1-OE1 3.79Å
235F98.2Very high96.6Very high59 Ų5955 Ų5526%0.25927%0.271SS..SBendtrans-128.865.9-178.7-60.1-92.9000110.7E218 A219 S233 F237 C238 D239E218-F235 HydrophobicContact CB-CD1 3.66Å; E218-F235 HydrophobicContact CB-CE1 4.28Å; E218-F235 HydrophobicContact CB-CG 4.44Å; E218-F235 VanDerWaalsContact OE2-CA 3.31Å; E218-F235 WeakPolarHBondContact OE2-CA 3.2Å; A219-F235 HydrophobicContact CB-CE1 4.21Å; S233-F235 PolarHBondContact O-N 3.01Å; F235-F237 PolarHBondContact O-N 3.44Å; F235-C238 HydrophobicContact CB-CB 3.79Å; F235-C238 PolarHBondContact O-N 3.04Å; F235-D239 PolarHBondContact O-N 2.89Å
236P98.4Very high96.7Very high4 Ų455 Ų553%0.02627%0.267CS..Hα-helixtrans-64.1-38.5-167.424.8-33.6000113.3L178 E218 E232 S233 R240 L270L178-P236 HydrophobicContact CD2-CB 4.35Å; L178-P236 HydrophobicContact CD2-CG 3.67Å; E218-P236 WeakPolarHBondContact OE1-CD 3.47Å; E218-P236 VanDerWaalsContact OE1-CG 3.28Å; E218-P236 WeakPolarHBondContact OE1-CG 3.41Å; E232-P236 HydrophobicContact CB-CB 4.21Å; S233-P236 WeakPolarHBondContact O-CD 3.39Å; S233-P236 VanDerWaalsContact OG-CA 3.31Å; S233-P236 WeakPolarHBondContact OG-CA 3.43Å; P236-R240 WeakPolarHBondContact O-CG 3.41Å; P236-R240 PolarHBondContact O-N 3.16Å; P236-L270 HydrophobicContact CB-CD1 3.83Å; P236-L270 HydrophobicContact CB-CD2 3.91Å
237F98.8Very high96.7Very high0 Ų053.9 Ų53.90%026%0.261CS..Hα-helixtrans-70.5-38.7174.7-74.3-76.4000111.8L178 N181 G182 L185 M214 E218 F235 D239 R240 L241 A269 L270 P274L178-F237 WeakPolarHBondContact O-CE2 3.4Å; L178-F237 VanDerWaalsContact O-CZ 3.28Å; L178-F237 WeakPolarHBondContact O-CZ 3.18Å; N181-F237 HydrophobicContact CB-CD2 3.93Å; N181-F237 HydrophobicContact CB-CE2 3.73Å; G182-F237 VanDerWaalsContact N-CZ 3.34Å; L185-F237 HydrophobicContact CD2-CB 4.3Å; L185-F237 HydrophobicContact CD2-CD1 3.53Å; L185-F237 HydrophobicContact CD2-CE1 4.21Å; L185-F237 HydrophobicContact CD2-CG 4.21Å; M214-F237 HydrophobicContact CE-CB 3.85Å; M214-F237 HydrophobicContact CE-CD2 4.04Å; M214-F237 HydrophobicContact CE-CG 4.06Å; E218-F237 WeakPolarHBondContact OE1-CB 3.46Å; E218-F237 VanDerWaalsContact OE1-CD2 3.27Å; E218-F237 WeakPolarHBondContact OE1-CD2 3.34Å; E218-F237 PolarHBondContact OE1-N 3.48Å; E218-F237 PolarHBondContact OE2-N 3.14Å; F235-F237 PolarHBondContact O-N 3.44Å; F237-D239 VanDerWaalsContact C-N 3.33Å; F237-D239 PolarHBondContact O-N 3.46Å; F237-R240 PolarHBondContact O-N 3.13Å; F237-L241 WeakPolarHBondContact O-CB 3.4Å; F237-L241 VanDerWaalsContact O-CG 3.23Å; F237-L241 WeakPolarHBondContact O-CG 3.29Å; F237-L241 PolarHBondContact O-N 2.98Å; F237-A269 HydrophobicContact CZ-CB 4.23Å; F237-L270 HydrophobicContact CD1-CD1 3.88Å; F237-L270 HydrophobicContact CD2-CD1 4.37Å; F237-L270 HydrophobicContact CE1-CB 4.44Å; F237-L270 HydrophobicContact CE1-CD1 3.99Å; F237-L270 HydrophobicContact CE2-CD1 4.44Å; F237-L270 HydrophobicContact CG-CD1 4.09Å; F237-L270 HydrophobicContact CZ-CB 4.37Å; F237-L270 HydrophobicContact CZ-CD1 4.26Å; F237-P274 HydrophobicContact CD1-CG 4.18Å; F237-P274 HydrophobicContact CE1-CG 4.5Å
238C98.7Very high96.6Very high4 Ų456 Ų563%0.02727%0.271CS..Hα-helixtrans-59.6-44.9173.5-60.90000111.4M214 E215 E218 F235 R240 L241 H242M214-C238 VanDerWaalsContact C-SG 3.58Å; E215-C238 PolarHBondContact N-SG 2.94Å; E215-C238 VanDerWaalsContact N-SG 3.36Å; E218-C238 PolarHBondContact OE2-N 2.69Å; E218-C238 PolarHBondContact OE2-SG 3.1Å; F235-C238 HydrophobicContact CB-CB 3.79Å; F235-C238 PolarHBondContact O-N 3.04Å; C238-R240 VanDerWaalsContact C-N 3.35Å; C238-R240 PolarHBondContact O-N 3.46Å; C238-L241 PolarHBondContact O-N 2.94Å; C238-H242 PolarHBondContact O-CD2 3.3Å; C238-H242 PolarHBondContact O-N 2.75Å
239D98.5Very high96.3Very high78 Ų7854.2 Ų54.242%0.41727%0.27SS..Hα-helixtrans-59.6-44.6176.9-76-15.6000111.6S233 F235 F237 H242 R243S233-D239 WeakPolarHBondContact CB-OD2 3.27Å; S233-D239 PolarHBondContact OG-OD2 3.41Å; F235-D239 PolarHBondContact O-N 2.89Å; F237-D239 VanDerWaalsContact C-N 3.33Å; F237-D239 PolarHBondContact O-N 3.46Å; D239-H242 WeakPolarHBondContact O-CB 3.46Å; D239-H242 PolarHBondContact O-N 3.06Å; D239-R243 WeakPolarHBondContact O-CG 3.37Å; D239-R243 PolarHBondContact O-N 3.47Å
240R98.4Very high95.9Very high59 Ų5955.3 Ų55.322%0.22327%0.267CS..Hα-helixtrans-64.2-40.3175.3-67.8-69178-139.9-13.4112.1P236 F237 C238 H242 R243 V244 E262 L270 P274P236-R240 WeakPolarHBondContact O-CG 3.41Å; P236-R240 PolarHBondContact O-N 3.16Å; F237-R240 PolarHBondContact O-N 3.13Å; C238-R240 VanDerWaalsContact C-N 3.35Å; C238-R240 PolarHBondContact O-N 3.46Å; R240-H242 VanDerWaalsContact C-N 3.31Å; R240-H242 PolarHBondContact O-N 3.06Å; R240-R243 WeakPolarHBondContact O-CA 3.42Å; R240-R243 WeakPolarHBondContact O-CB 3.45Å; R240-R243 PolarHBondContact O-N 3.29Å; R240-R243 VanDerWaalsContact O-N 3.1Å; R240-V244 WeakPolarHBondContact O-CG2 3.26Å; R240-V244 PolarHBondContact O-N 2.69Å; R240-E262 PolarHBondContact NH1-O 3.33Å; R240-L270 HydrophobicContact CG-CD1 3.66Å; R240-L270 HydrophobicContact CG-CG 4.17Å; R240-P274 HydrophobicContact CB-CB 3.82Å; R240-P274 HydrophobicContact CB-CG 3.62Å; R240-P274 HydrophobicContact CG-CG 4.19Å
241L98.7Very high94.5Very high0 Ų057.1 Ų57.10%028%0.28CS..Hα-helixtrans-66.6-33176.8-69.1168.8000112.2L185 I207 L210 I211 M214 F237 C238 V244 K245 I277L185-L241 HydrophobicContact CD1-CD1 3.95Å; L185-L241 HydrophobicContact CD1-CD2 4.26Å; L185-L241 HydrophobicContact CD2-CD1 4.35Å; L185-L241 HydrophobicContact CD2-CD2 4.29Å; L185-L241 HydrophobicContact CD2-CG 4.44Å; I207-L241 HydrophobicContact CD1-CB 4.28Å; I207-L241 HydrophobicContact CD1-CD2 3.6Å; L210-L241 HydrophobicContact CB-CD1 4.08Å; I211-L241 HydrophobicContact CD1-CB 4.14Å; I211-L241 HydrophobicContact CG1-CB 3.51Å; I211-L241 HydrophobicContact CG1-CD1 4.04Å; I211-L241 HydrophobicContact CG1-CG 4.42Å; M214-L241 HydrophobicContact CB-CD1 4.39Å; M214-L241 HydrophobicContact CG-CD1 4.02Å; F237-L241 WeakPolarHBondContact O-CB 3.4Å; F237-L241 VanDerWaalsContact O-CG 3.23Å; F237-L241 WeakPolarHBondContact O-CG 3.29Å; F237-L241 PolarHBondContact O-N 2.98Å; C238-L241 PolarHBondContact O-N 2.94Å; L241-V244 WeakPolarHBondContact O-CB 3.36Å; L241-V244 PolarHBondContact O-N 3.41Å; L241-K245 PolarHBondContact O-N 3.43Å; L241-I277 HydrophobicContact CD2-CD1 4.09Å
242H98.3Very high93Very high73 Ų7356.8 Ų56.834%0.33827%0.269SS..Hα-helixtrans-63.7-41.4168.3-80.7-66.4000111.7C238 D239 R240 V244 K245 D246C238-H242 PolarHBondContact O-CD2 3.3Å; C238-H242 PolarHBondContact O-N 2.75Å; D239-H242 WeakPolarHBondContact O-CB 3.46Å; D239-H242 PolarHBondContact O-N 3.06Å; R240-H242 VanDerWaalsContact C-N 3.31Å; R240-H242 PolarHBondContact O-N 3.06Å; H242-V244 PolarHBondContact O-N 3.23Å; H242-K245 WeakPolarHBondContact O-CB 3.46Å; H242-K245 PolarHBondContact O-N 3.08Å; H242-K245 VanDerWaalsContact O-N 3.15Å; H242-D246 VanDerWaalsContact O-CG 3.31Å; H242-D246 PolarHBondContact O-N 3.42Å
243R97.8Very high92.1Very high111 Ų11158 Ų5842%0.41928%0.284SS..Hα-helixtrans-62.3-41172.8-62.6-68156.8-151.1-6.3112.5D239 R240 K245 D246 L247 E262 L263D239-R243 WeakPolarHBondContact O-CG 3.37Å; D239-R243 PolarHBondContact O-N 3.47Å; R240-R243 WeakPolarHBondContact O-CA 3.42Å; R240-R243 WeakPolarHBondContact O-CB 3.45Å; R240-R243 PolarHBondContact O-N 3.29Å; R240-R243 VanDerWaalsContact O-N 3.1Å; R243-K245 VanDerWaalsContact C-N 3.29Å; R243-K245 PolarHBondContact O-N 3.36Å; R243-D246 IonicContact CZ-OD2 3.99Å; R243-D246 IonicContact NH1-OD2 2.66Å; R243-D246 PolarHBondContact NH1-OD2 2.89Å; R243-D246 PolarHBondContact O-N 2.99Å; R243-L247 WeakPolarHBondContact O-CB 3.34Å; R243-L247 WeakPolarHBondContact O-CD1 3.46Å; R243-L247 VanDerWaalsContact O-CG 3.28Å; R243-L247 WeakPolarHBondContact O-CG 3.48Å; R243-L247 PolarHBondContact O-N 3.35Å; R243-E262 WeakPolarHBondContact CD-OE2 3.2Å; R243-L263 HydrophobicContact CB-CD2 3.79Å
244V97.8Very high91.7Very high0 Ų057 Ų570%028%0.276CS..Hα-helixtrans-56.2-46.3172.3171.70000110.4I207 R240 L241 H242 L247 M248 L263 P274 F278 L281I207-V244 HydrophobicContact CD1-CB 4.27Å; I207-V244 HydrophobicContact CD1-CG1 3.86Å; R240-V244 WeakPolarHBondContact O-CG2 3.26Å; R240-V244 PolarHBondContact O-N 2.69Å; L241-V244 WeakPolarHBondContact O-CB 3.36Å; L241-V244 PolarHBondContact O-N 3.41Å; H242-V244 PolarHBondContact O-N 3.23Å; V244-L247 PolarHBondContact O-N 3.02Å; V244-M248 VanDerWaalsContact O-CG 3.29Å; V244-M248 WeakPolarHBondContact O-CG 3.47Å; V244-M248 PolarHBondContact O-N 2.79Å; V244-L263 HydrophobicContact CG2-CD1 3.81Å; V244-L263 HydrophobicContact CG2-CD2 3.86Å; V244-P274 HydrophobicContact CG2-CB 4.14Å; V244-F278 HydrophobicContact CG1-CB 4.12Å; V244-F278 HydrophobicContact CG1-CD2 4.25Å; V244-F278 HydrophobicContact CG2-CB 4.17Å; V244-L281 HydrophobicContact CG1-CD1 3.93Å
245K95.6Very high91.7Very high60 Ų6054.3 Ų54.326%0.26127%0.269SS..Hα-helixtrans-61.5-47.8177.3-174.3-177.2178.1-179.50112I207 N208 L241 H242 R243 L247 M248 E249I207-K245 HydrophobicContact CG1-CB 4.43Å; I207-K245 HydrophobicContact CG2-CB 4.42Å; I207-K245 HydrophobicContact CG2-CD 4.41Å; I207-K245 HydrophobicContact CG2-CG 4.29Å; N208-K245 PolarHBondContact OD1-NZ 3.14Å; L241-K245 PolarHBondContact O-N 3.43Å; H242-K245 WeakPolarHBondContact O-CB 3.46Å; H242-K245 PolarHBondContact O-N 3.08Å; H242-K245 VanDerWaalsContact O-N 3.15Å; R243-K245 VanDerWaalsContact C-N 3.29Å; R243-K245 PolarHBondContact O-N 3.36Å; K245-L247 VanDerWaalsContact C-N 3.31Å; K245-L247 PolarHBondContact O-N 3.34Å; K245-M248 WeakPolarHBondContact O-CB 3.42Å; K245-M248 PolarHBondContact O-N 3.02Å; K245-M248 VanDerWaalsContact O-N 3.08Å; K245-E249 WeakPolarHBondContact CE-OE1 3.33Å; K245-E249 PolarHBondContact O-N 3.08Å; K245-E249 VanDerWaalsContact O-N 3.09Å
246D95.3Very high91.5Very high55 Ų5553.5 Ų53.529%0.29427%0.267SS..Hα-helixtrans-60.4-39.8178.4-67.2-9.6000111.7H242 R243 E249 R250H242-D246 VanDerWaalsContact O-CG 3.31Å; H242-D246 PolarHBondContact O-N 3.42Å; R243-D246 IonicContact CZ-OD2 3.99Å; R243-D246 IonicContact NH1-OD2 2.66Å; R243-D246 PolarHBondContact NH1-OD2 2.89Å; R243-D246 PolarHBondContact O-N 2.99Å; D246-E249 PolarHBondContact O-N 3.39Å; D246-R250 PolarHBondContact O-NE 3.24Å
247L95.1Very high91.4Very high2 Ų259.4 Ų59.41%0.0130%0.295CS..Hα-helixtrans-66.4-36.6174.9-68.7160.3000111.8R243 V244 K245 R250 V254 E258 E262 L263 F278R243-L247 WeakPolarHBondContact O-CB 3.34Å; R243-L247 WeakPolarHBondContact O-CD1 3.46Å; R243-L247 VanDerWaalsContact O-CG 3.28Å; R243-L247 WeakPolarHBondContact O-CG 3.48Å; R243-L247 PolarHBondContact O-N 3.35Å; V244-L247 PolarHBondContact O-N 3.02Å; K245-L247 VanDerWaalsContact C-N 3.31Å; K245-L247 PolarHBondContact O-N 3.34Å; L247-R250 PolarHBondContact O-N 3.4Å; L247-V254 HydrophobicContact CD2-CG1 3.57Å; L247-V254 HydrophobicContact CD2-CG2 4.18Å; L247-E258 HydrophobicContact CD2-CG 4.28Å; L247-E262 HydrophobicContact CD1-CB 4.21Å; L247-L263 HydrophobicContact CD1-CD1 3.81Å; L247-L263 HydrophobicContact CD1-CD2 4.01Å; L247-L263 HydrophobicContact CD1-CG 3.8Å; L247-F278 HydrophobicContact CB-CD2 4.09Å; L247-F278 HydrophobicContact CB-CE2 3.49Å; L247-F278 VanDerWaalsContact CB-CE2 3.49Å; L247-F278 HydrophobicContact CB-CZ 4.39Å; L247-F278 HydrophobicContact CD1-CD2 4.21Å; L247-F278 HydrophobicContact CD1-CE2 4.1Å; L247-F278 HydrophobicContact CG-CE2 4.37Å
248M91.9Very high91.3Very high46 Ų4662 Ų6223%0.22731%0.306CS..Hα-helixtrans-67.2-34.4177.1-71.9-69.184.500113.4V244 K245 R250 N251 F278 L281 H282V244-M248 VanDerWaalsContact O-CG 3.29Å; V244-M248 WeakPolarHBondContact O-CG 3.47Å; V244-M248 PolarHBondContact O-N 2.79Å; K245-M248 WeakPolarHBondContact O-CB 3.42Å; K245-M248 PolarHBondContact O-N 3.02Å; K245-M248 VanDerWaalsContact O-N 3.08Å; M248-R250 VanDerWaalsContact C-N 3.25Å; M248-R250 PolarHBondContact O-N 3.09Å; M248-N251 PolarHBondContact O-N 3.49Å; M248-F278 HydrophobicContact CE-CD2 3.76Å; M248-F278 HydrophobicContact CE-CE2 3.18Å; M248-F278 HydrophobicContact CE-CZ 3.73Å; M248-L281 HydrophobicContact CG-CB 4.29Å; M248-L281 HydrophobicContact SD-CB 3.58Å; M248-L281 VanDerWaalsContact SD-CB 3.58Å; M248-H282 HydrophobicContact CE-CB 3.77Å; M248-H282 WeakPolarHBondContact CE-ND1 3.38Å
249E89.8Confident91.2Very high137 Ų13761.8 Ų61.864%0.6431%0.305SS*.Hα-helixtrans-69.8-22.7178.4-69.7178.1-177.700112.8K245 D246 N251K245-E249 WeakPolarHBondContact CE-OE1 3.33Å; K245-E249 PolarHBondContact O-N 3.08Å; K245-E249 VanDerWaalsContact O-N 3.09Å; D246-E249 PolarHBondContact O-N 3.39Å; E249-N251 VanDerWaalsContact C-N 3.32Å; E249-N251 PolarHBondContact O-N 3.46Å
250R86.3Confident91.2Very high92 Ų9260.2 Ų60.235%0.34730%0.296SS..THydrogen-bonded Turntrans-83.92.3178.7-67.7-177-77.1178.7-6.8115D246 L247 M248 S253 V254 E258D246-R250 PolarHBondContact O-NE 3.24Å; L247-R250 PolarHBondContact O-N 3.4Å; M248-R250 VanDerWaalsContact C-N 3.25Å; M248-R250 PolarHBondContact O-N 3.09Å; R250-S253 PolarHBondContact O-N 3.26Å; R250-S253 PolarHBondContact O-OG 3.13Å; R250-V254 HydrophobicContact CB-CG2 3.87Å; R250-E258 IonicContact CZ-OE1 2.72Å; R250-E258 VanDerWaalsContact CZ-OE1 3.31Å; R250-E258 IonicContact NH1-OE1 3.37Å; R250-E258 PolarHBondContact NH1-OE1 3.38Å; R250-E258 IonicContact NH2-OE1 2.64Å
251N64.7Low91.1Very high101 Ų10162.3 Ų62.354%0.5432%0.32SS..THydrogen-bonded Turntrans4.2112.3175.5-158.126.9000117.8M248 E249 S253 R287M248-N251 PolarHBondContact O-N 3.49Å; E249-N251 VanDerWaalsContact C-N 3.32Å; E249-N251 PolarHBondContact O-N 3.46Å; N251-S253 VanDerWaalsContact C-N 3.34Å; N251-S253 PolarHBondContact O-N 3.06Å; N251-R287 PolarHBondContact OD1-NH1 3.19Å
252N64.1Low91.1Very high105 Ų10565 Ų6556%0.56133%0.333SS*.THydrogen-bonded Turntrans72.7-6.7-179.8-63.8-17.2000117.9R287N252-R287 PolarHBondContact OD1-NH1 3.01Å
253S76.6Confident91.1Very high87 Ų8761.6 Ų61.661%0.60832%0.317SS*.  trans-97.12174.377.10000114.6R250 N251R250-S253 PolarHBondContact O-N 3.26Å; R250-S253 PolarHBondContact O-OG 3.13Å; N251-S253 VanDerWaalsContact C-N 3.34Å; N251-S253 PolarHBondContact O-N 3.06Å
254V88.9Confident91.1Very high17 Ų1756.9 Ų56.910%0.10330%0.303CS..  trans-92.2122.4-173.5-178.70000109.4L247 R250 E258 V259 F278L247-V254 HydrophobicContact CD2-CG1 3.57Å; L247-V254 HydrophobicContact CD2-CG2 4.18Å; R250-V254 HydrophobicContact CB-CG2 3.87Å; V254-E258 WeakPolarHBondContact CA-OE2 3.28Å; V254-E258 HydrophobicContact CG1-CB 4.36Å; V254-E258 HydrophobicContact CG1-CG 4.43Å; V254-V259 HydrophobicContact CG1-CG2 3.52Å; V254-F278 HydrophobicContact CG1-CZ 4.49Å
255S93.3Very high91.1Very high51 Ų5158.4 Ų58.436%0.35731%0.311SS..  trans-86162.5177.388.70000112E257 E258 V259S255-E257 VanDerWaalsContact C-N 3.27Å; S255-E257 WeakPolarHBondContact CB-OE2 3.49Å; S255-E257 PolarHBondContact O-N 3.24Å; S255-E257 PolarHBondContact OG-N 3.14Å; S255-E257 PolarHBondContact OG-OE2 3.22Å; S255-E258 PolarHBondContact O-N 2.89Å; S255-E258 PolarHBondContact OG-N 3.32Å; S255-V259 WeakPolarHBondContact O-CG2 3.39Å; S255-V259 PolarHBondContact O-N 3.1Å; S255-V259 VanDerWaalsContact O-N 3.14Å
256I94.9Very high91.3Very high41 Ų4156.7 Ų56.721%0.2131%0.311CS..Hα-helixtrans-58.8-42.8175.4-78.4172000110.6E258 V259 I260 Y303 A306 L307I256-E258 VanDerWaalsContact C-N 3.31Å; I256-E258 PolarHBondContact O-N 2.63Å; I256-V259 PolarHBondContact O-N 3Å; I256-I260 HydrophobicContact CG2-CD1 3.63Å; I256-I260 HydrophobicContact CG2-CG1 4.37Å; I256-I260 VanDerWaalsContact O-CG1 3.32Å; I256-I260 WeakPolarHBondContact O-CG1 3.33Å; I256-I260 PolarHBondContact O-N 2.66Å; I256-Y303 HydrophobicContact CG1-CE2 4.5Å; I256-A306 HydrophobicContact CD1-CB 3.78Å; I256-L307 HydrophobicContact CB-CD2 4.47Å; I256-L307 HydrophobicContact CG1-CD2 4.34Å; I256-L307 HydrophobicContact CG2-CD2 3.99Å
257E95.9Very high91.4Very high129 Ų12959.9 Ų59.960%0.60333%0.326SS*.Hα-helixtrans-63.9-37.8-179.3-55.274.1-162.300111.5S255 I260 S261S255-E257 VanDerWaalsContact C-N 3.27Å; S255-E257 WeakPolarHBondContact CB-OE2 3.49Å; S255-E257 PolarHBondContact O-N 3.24Å; S255-E257 PolarHBondContact OG-N 3.14Å; S255-E257 PolarHBondContact OG-OE2 3.22Å; E257-I260 PolarHBondContact O-N 2.92Å; E257-S261 WeakPolarHBondContact O-CB 3.47Å; E257-S261 PolarHBondContact O-N 2.87Å
258E96Very high91.6Very high53 Ų5360.4 Ų60.425%0.24833%0.331CS..Hα-helixtrans-65.1-42.4175.2-173.3176.3-16500111.5L247 R250 V254 S255 I256 S261 E262L247-E258 HydrophobicContact CD2-CG 4.28Å; R250-E258 IonicContact CZ-OE1 2.72Å; R250-E258 VanDerWaalsContact CZ-OE1 3.31Å; R250-E258 IonicContact NH1-OE1 3.37Å; R250-E258 PolarHBondContact NH1-OE1 3.38Å; R250-E258 IonicContact NH2-OE1 2.64Å; V254-E258 WeakPolarHBondContact CA-OE2 3.28Å; V254-E258 HydrophobicContact CG1-CB 4.36Å; V254-E258 HydrophobicContact CG1-CG 4.43Å; S255-E258 PolarHBondContact O-N 2.89Å; S255-E258 PolarHBondContact OG-N 3.32Å; I256-E258 VanDerWaalsContact C-N 3.31Å; I256-E258 PolarHBondContact O-N 2.63Å; E258-S261 PolarHBondContact O-N 3.49Å; E258-E262 HydrophobicContact CG-CG 4.45Å; E258-E262 WeakPolarHBondContact O-CB 3.13Å; E258-E262 VanDerWaalsContact O-CG 3.32Å; E258-E262 WeakPolarHBondContact O-CG 3.32Å; E258-E262 PolarHBondContact O-N 2.99Å
259V97.3Very high91.9Very high0 Ų058.2 Ų58.20%032%0.32CS..Hα-helixtrans-62.3-46.5175.5177.80000111V254 S255 I256 S261 E262 L263 F278 L307V254-V259 HydrophobicContact CG1-CG2 3.52Å; S255-V259 WeakPolarHBondContact O-CG2 3.39Å; S255-V259 PolarHBondContact O-N 3.1Å; S255-V259 VanDerWaalsContact O-N 3.14Å; I256-V259 PolarHBondContact O-N 3Å; V259-S261 VanDerWaalsContact C-N 3.31Å; V259-S261 PolarHBondContact O-N 3.34Å; V259-E262 PolarHBondContact O-N 3.44Å; V259-L263 HydrophobicContact CG1-CD1 4.04Å; V259-L263 WeakPolarHBondContact O-CB 3.13Å; V259-L263 PolarHBondContact O-N 3.46Å; V259-F278 HydrophobicContact CB-CE1 4.32Å; V259-F278 HydrophobicContact CG1-CD1 3.76Å; V259-F278 HydrophobicContact CG1-CE1 3.79Å; V259-F278 HydrophobicContact CG1-CG 4.47Å; V259-F278 HydrophobicContact CG1-CZ 4.49Å; V259-F278 HydrophobicContact CG2-CD1 4.27Å; V259-F278 HydrophobicContact CG2-CE1 3.47Å; V259-F278 VanDerWaalsContact CG2-CE1 3.47Å; V259-F278 HydrophobicContact CG2-CE2 4.44Å; V259-F278 HydrophobicContact CG2-CZ 3.57Å; V259-L307 HydrophobicContact CB-CD2 4.2Å; V259-L307 HydrophobicContact CG1-CD1 4.35Å; V259-L307 HydrophobicContact CG1-CD2 4.01Å
260I97.8Very high92.3Very high46 Ų4652 Ų5224%0.23629%0.291CS..Hα-helixtrans-60.7-43177.6-65.5165.5000110.2I256 E257 E262 G264 N265 L307I256-I260 HydrophobicContact CG2-CD1 3.63Å; I256-I260 HydrophobicContact CG2-CG1 4.37Å; I256-I260 VanDerWaalsContact O-CG1 3.32Å; I256-I260 WeakPolarHBondContact O-CG1 3.33Å; I256-I260 PolarHBondContact O-N 2.66Å; E257-I260 PolarHBondContact O-N 2.92Å; I260-E262 PolarHBondContact O-N 2.89Å; I260-G264 WeakPolarHBondContact O-CA 3.33Å; I260-G264 PolarHBondContact O-N 2.57Å; I260-N265 HydrophobicContact CG1-CB 4.31Å; I260-N265 HydrophobicContact CG2-CB 4.49Å; I260-L307 WeakPolarHBondContact CD1-O 3.4Å; I260-L307 HydrophobicContact CG1-CD2 4.23Å
261S97.7Very high92.9Very high103 Ų10350.5 Ų50.572%0.7229%0.288SS*.Hα-helixtrans-66.5-36.7179.8-174.70000113.4E257 E258 V259E257-S261 WeakPolarHBondContact O-CB 3.47Å; E257-S261 PolarHBondContact O-N 2.87Å; E258-S261 PolarHBondContact O-N 3.49Å; V259-S261 VanDerWaalsContact C-N 3.31Å; V259-S261 PolarHBondContact O-N 3.34Å
262E97.5Very high94.5Very high56 Ų5645.7 Ų45.726%0.26226%0.262SS..Hα-helixtrans-87.5-36.9-174.5-72.2-84-161.600112.8R240 R243 L247 E258 V259 I260R240-E262 PolarHBondContact NH1-O 3.33Å; R243-E262 WeakPolarHBondContact CD-OE2 3.2Å; L247-E262 HydrophobicContact CD1-CB 4.21Å; E258-E262 HydrophobicContact CG-CG 4.45Å; E258-E262 WeakPolarHBondContact O-CB 3.13Å; E258-E262 VanDerWaalsContact O-CG 3.32Å; E258-E262 WeakPolarHBondContact O-CG 3.32Å; E258-E262 PolarHBondContact O-N 2.99Å; V259-E262 PolarHBondContact O-N 3.44Å; I260-E262 PolarHBondContact O-N 2.89Å
263L98.4Very high96.2Very high1 Ų140.7 Ų40.71%0.00524%0.236CC..Hα-helixtrans-110-33.1-173.7-53.8-175.1000112.7R243 V244 L247 V259 H271 T275 F278R243-L263 HydrophobicContact CB-CD2 3.79Å; V244-L263 HydrophobicContact CG2-CD1 3.81Å; V244-L263 HydrophobicContact CG2-CD2 3.86Å; L247-L263 HydrophobicContact CD1-CD1 3.81Å; L247-L263 HydrophobicContact CD1-CD2 4.01Å; L247-L263 HydrophobicContact CD1-CG 3.8Å; V259-L263 HydrophobicContact CG1-CD1 4.04Å; V259-L263 WeakPolarHBondContact O-CB 3.13Å; V259-L263 PolarHBondContact O-N 3.46Å; L263-H271 VanDerWaalsContact O-CA 3.31Å; L263-H271 WeakPolarHBondContact O-CA 3.3Å; L263-H271 PolarHBondContact O-ND1 3.36Å; L263-T275 WeakPolarHBondContact CB-OG1 3.29Å; L263-F278 HydrophobicContact CD1-CB 3.6Å; L263-F278 HydrophobicContact CD1-CD1 4.44Å; L263-F278 HydrophobicContact CD1-CD2 4.14Å; L263-F278 HydrophobicContact CD1-CG 3.8Å
264G98.4Very high97.3Very high12 Ų1236.5 Ų36.512%0.12421%0.207CC..  trans88.8169.2-170.900000112.9I260 H271 T275I260-G264 WeakPolarHBondContact O-CA 3.33Å; I260-G264 PolarHBondContact O-N 2.57Å; G264-H271 CarbonylContact C-O 3.17Å; G264-T275 WeakPolarHBondContact O-CB 3.4Å; G264-T275 VanDerWaalsContact O-CG2 3.31Å; G264-T275 WeakPolarHBondContact O-CG2 3.13Å; G264-T275 PolarHBondContact O-OG1 3.31Å
265N98.5Very high97.7Very high32 Ų3235.7 Ų35.717%0.17120%0.202CC..  trans-144.529.9178.863.1-18.2000111.2I260 H271 L307 G309 D310 I314I260-N265 HydrophobicContact CG1-CB 4.31Å; I260-N265 HydrophobicContact CG2-CB 4.49Å; N265-H271 WeakPolarHBondContact CA-O 3.26Å; N265-H271 PolarHBondContact N-O 3.21Å; N265-H271 VanDerWaalsContact N-O 3.14Å; N265-L307 PolarHBondContact ND2-O 3.18Å; N265-G309 CarbonylContact O-C 3.49Å; N265-G309 WeakPolarHBondContact O-CA 3.37Å; N265-D310 PolarHBondContact O-N 3.46Å; N265-I314 HydrophobicContact CB-CD1 4.12Å
266G98.1Very high98Very high25 Ų2533.3 Ų33.326%0.25819%0.185SC..SBendtrans-116.7175.2-169.200000114.5A268 H271 S272G266-A268 PolarHBondContact O-N 2.74Å; G266-H271 PolarHBondContact N-O 3.47Å; G266-S272 WeakPolarHBondContact O-CB 3.4Å; G266-S272 PolarHBondContact O-OG 3.42Å
267I98.2Very high98.2Very high122 Ų12231.4 Ų31.463%0.62618%0.175SC*.SBendtrans-62.6-11-174.566.5171.2000115.9G142 N143 D310G142-I267 CarbonylContact C-O 3.51Å; G142-I267 VanDerWaalsContact CA-O 3.26Å; G142-I267 WeakPolarHBondContact CA-O 3.4Å; N143-I267 PolarHBondContact N-O 3.13Å; N143-I267 PolarHBondContact OD1-O 3.25Å; I267-D310 WeakPolarHBondContact CA-OD2 3.31Å; I267-D310 HydrophobicContact CG2-CB 4.26Å
268A98.6Very high98.3Very high13 Ų1325.2 Ų25.211%0.10715%0.146CC..BIsolated β-bridgetrans-77.4137.1175.600000109.6F141 G266 L270 H271 S272F141-A268 HydrophobicContact CD2-CB 3.84Å; F141-A268 HydrophobicContact CE2-CB 3.99Å; G266-A268 PolarHBondContact O-N 2.74Å; A268-L270 PolarHBondContact O-N 2.82Å; A268-H271 HydrophobicContact CB-CB 4.28Å; A268-H271 CarbonylContact O-C 3.56Å; A268-H271 WeakPolarHBondContact O-CA 3.47Å; A268-H271 PolarHBondContact O-N 3.04Å; A268-S272 PolarHBondContact O-N 3.18Å; A268-S272 PolarHBondContact O-OG 3.15Å
269A98.9Very high98.4Very high0 Ų022.7 Ų22.70%013%0.134CC..G310 helixtrans-59.6-36.2-178.300000112.6F141 N143 L178 F237 H271 S272 V273F141-A269 PolarHBondContact O-N 2.87Å; F141-A269 VanDerWaalsContact O-N 3.07Å; N143-A269 HydrophobicContact CB-CB 4.17Å; L178-A269 WeakPolarHBondContact O-CB 3.43Å; F237-A269 HydrophobicContact CZ-CB 4.23Å; A269-H271 PolarHBondContact O-N 2.76Å; A269-S272 PolarHBondContact O-N 2.77Å; A269-V273 HydrophobicContact CB-CG2 4.24Å; A269-V273 WeakPolarHBondContact O-CB 3.38Å; A269-V273 WeakPolarHBondContact O-CG2 3.25Å; A269-V273 PolarHBondContact O-N 3.05Å
270L98.7Very high98.5Very high6 Ų622.8 Ų22.83%0.03114%0.135CC..G310 helixtrans-63.3-22.8175.6-170.961.9000113.4E232 P236 F237 R240 A268E232-L270 HydrophobicContact CG-CD2 4.18Å; P236-L270 HydrophobicContact CB-CD1 3.83Å; P236-L270 HydrophobicContact CB-CD2 3.91Å; F237-L270 HydrophobicContact CD1-CD1 3.88Å; F237-L270 HydrophobicContact CD2-CD1 4.37Å; F237-L270 HydrophobicContact CE1-CB 4.44Å; F237-L270 HydrophobicContact CE1-CD1 3.99Å; F237-L270 HydrophobicContact CE2-CD1 4.44Å; F237-L270 HydrophobicContact CG-CD1 4.09Å; F237-L270 HydrophobicContact CZ-CB 4.37Å; F237-L270 HydrophobicContact CZ-CD1 4.26Å; R240-L270 HydrophobicContact CG-CD1 3.66Å; R240-L270 HydrophobicContact CG-CG 4.17Å; A268-L270 PolarHBondContact O-N 2.82Å
271H98.6Very high98.5Very high60 Ų6021.5 Ų21.528%0.27813%0.128SC..G310 helixtrans-110.211.9-176.3-62.7-49.6000114.3L263 G264 N265 G266 A268 A269L263-H271 VanDerWaalsContact O-CA 3.31Å; L263-H271 WeakPolarHBondContact O-CA 3.3Å; L263-H271 PolarHBondContact O-ND1 3.36Å; G264-H271 CarbonylContact C-O 3.17Å; N265-H271 WeakPolarHBondContact CA-O 3.26Å; N265-H271 PolarHBondContact N-O 3.21Å; N265-H271 VanDerWaalsContact N-O 3.14Å; G266-H271 PolarHBondContact N-O 3.47Å; A268-H271 HydrophobicContact CB-CB 4.28Å; A268-H271 CarbonylContact O-C 3.56Å; A268-H271 WeakPolarHBondContact O-CA 3.47Å; A268-H271 PolarHBondContact O-N 3.04Å; A269-H271 PolarHBondContact O-N 2.76Å
272S98.9Very high98.4Very high0 Ų017.1 Ų17.10%010%0.097CC..THydrogen-bonded Turntrans-140.1-40.8-179.446.60000112.5N143 G266 A268 A269 T275 A276N143-S272 VanDerWaalsContact CB-OG 3.27Å; N143-S272 WeakPolarHBondContact CB-OG 3.29Å; N143-S272 PolarHBondContact ND2-OG 2.9Å; N143-S272 VanDerWaalsContact ND2-OG 3.08Å; G266-S272 WeakPolarHBondContact O-CB 3.4Å; G266-S272 PolarHBondContact O-OG 3.42Å; A268-S272 PolarHBondContact O-N 3.18Å; A268-S272 PolarHBondContact O-OG 3.15Å; A269-S272 PolarHBondContact O-N 2.77Å; S272-T275 WeakPolarHBondContact O-CB 3.43Å; S272-T275 PolarHBondContact O-N 2.99Å; S272-A276 WeakPolarHBondContact O-CB 3.31Å; S272-A276 PolarHBondContact O-N 3.47Å
273V98.9Very high98.3Very high0 Ų014.5 Ų14.50%08%0.084CC..Hα-helixtrans-65.5-49.6-179.9-177.40000112A146 L185 Q186 A269 T275 A276 I277 M317A146-V273 HydrophobicContact CB-CG2 3.55Å; L185-V273 HydrophobicContact CB-CG1 4.09Å; L185-V273 HydrophobicContact CD2-CB 4.5Å; L185-V273 HydrophobicContact CD2-CG1 3.78Å; L185-V273 HydrophobicContact CG-CG1 3.76Å; Q186-V273 HydrophobicContact CB-CG1 3.98Å; A269-V273 HydrophobicContact CB-CG2 4.24Å; A269-V273 WeakPolarHBondContact O-CB 3.38Å; A269-V273 WeakPolarHBondContact O-CG2 3.25Å; A269-V273 PolarHBondContact O-N 3.05Å; V273-T275 VanDerWaalsContact C-N 3.25Å; V273-T275 PolarHBondContact O-N 3.5Å; V273-A276 PolarHBondContact O-N 3.48Å; V273-I277 HydrophobicContact CG1-CD1 4.29Å; V273-I277 WeakPolarHBondContact O-CG1 3.44Å; V273-I277 PolarHBondContact O-N 3.29Å; V273-I277 VanDerWaalsContact O-N 3.14Å; V273-M317 HydrophobicContact CG2-CE 4.07Å; V273-M317 HydrophobicContact CG2-SD 3.75Å
274P98.9Very high98.1Very high0 Ų015.1 Ų15.10%09%0.087CC..Hα-helixtrans-62.5-34.9175.4-22.135.8000112.4L185 F237 R240 V244 I277 F278L185-P274 HydrophobicContact CD2-CG 4.49Å; F237-P274 HydrophobicContact CD1-CG 4.18Å; F237-P274 HydrophobicContact CE1-CG 4.5Å; R240-P274 HydrophobicContact CB-CB 3.82Å; R240-P274 HydrophobicContact CB-CG 3.62Å; R240-P274 HydrophobicContact CG-CG 4.19Å; V244-P274 HydrophobicContact CG2-CB 4.14Å; P274-I277 PolarHBondContact O-N 2.96Å; P274-F278 PolarHBondContact O-N 3.5Å
275T98.9Very high97.8Very high0 Ų019 Ų190%010%0.103CC..Hα-helixtrans-63.6-45.3176.4-51.70000111.6L263 G264 S272 V273 I277 F278 C279 L307 I314L263-T275 WeakPolarHBondContact CB-OG1 3.29Å; G264-T275 WeakPolarHBondContact O-CB 3.4Å; G264-T275 VanDerWaalsContact O-CG2 3.31Å; G264-T275 WeakPolarHBondContact O-CG2 3.13Å; G264-T275 PolarHBondContact O-OG1 3.31Å; S272-T275 WeakPolarHBondContact O-CB 3.43Å; S272-T275 PolarHBondContact O-N 2.99Å; V273-T275 VanDerWaalsContact C-N 3.25Å; V273-T275 PolarHBondContact O-N 3.5Å; T275-I277 VanDerWaalsContact C-N 3.33Å; T275-I277 PolarHBondContact O-N 2.83Å; T275-F278 WeakPolarHBondContact O-CB 3.48Å; T275-F278 PolarHBondContact O-N 2.82Å; T275-F278 VanDerWaalsContact O-N 3.14Å; T275-C279 PolarHBondContact O-N 3.2Å; T275-C279 PolarHBondContact O-SG 3.41Å; T275-L307 HydrophobicContact CG2-CD1 3.34Å; T275-I314 HydrophobicContact CG2-CD1 4.44Å; T275-I314 HydrophobicContact CG2-CG2 4.38Å
276A98.9Very high97.5Very high0 Ų022 Ų220%012%0.123CC..Hα-helixtrans-60.1-42.517500000112S272 V273 F278 C279 V280 I314 M317 A318S272-A276 WeakPolarHBondContact O-CB 3.31Å; S272-A276 PolarHBondContact O-N 3.47Å; V273-A276 PolarHBondContact O-N 3.48Å; A276-F278 VanDerWaalsContact C-N 3.35Å; A276-C279 PolarHBondContact O-N 3.14Å; A276-V280 WeakPolarHBondContact O-CG2 3.38Å; A276-V280 PolarHBondContact O-N 3.21Å; A276-I314 HydrophobicContact CB-CG2 4.32Å; A276-M317 HydrophobicContact CB-CB 3.72Å; A276-M317 HydrophobicContact CB-CE 4.28Å; A276-A318 HydrophobicContact CB-CB 4.05Å
277I98.9Very high97.2Very high1 Ų122 Ų221%0.00512%0.115CC..Hα-helixtrans-61.3-44.8174-67163.4000110.5L185 A189 F206 I207 L210 L241 V273 P274 T275 C279 V280 L281 I321L185-I277 HydrophobicContact CD1-CD1 3.85Å; L185-I277 HydrophobicContact CD2-CD1 4.02Å; L185-I277 HydrophobicContact CG-CD1 3.79Å; A189-I277 HydrophobicContact CB-CD1 4.1Å; A189-I277 HydrophobicContact CB-CG1 4.03Å; F206-I277 HydrophobicContact CE1-CG2 4.4Å; I207-I277 HydrophobicContact CD1-CG2 4.23Å; L210-I277 HydrophobicContact CD1-CD1 4.08Å; L210-I277 HydrophobicContact CD1-CG2 4.33Å; L241-I277 HydrophobicContact CD2-CD1 4.09Å; V273-I277 HydrophobicContact CG1-CD1 4.29Å; V273-I277 WeakPolarHBondContact O-CG1 3.44Å; V273-I277 PolarHBondContact O-N 3.29Å; V273-I277 VanDerWaalsContact O-N 3.14Å; P274-I277 PolarHBondContact O-N 2.96Å; T275-I277 VanDerWaalsContact C-N 3.33Å; T275-I277 PolarHBondContact O-N 2.83Å; I277-C279 PolarHBondContact O-N 3.48Å; I277-V280 PolarHBondContact O-N 2.91Å; I277-L281 HydrophobicContact CG2-CD1 3.92Å; I277-L281 HydrophobicContact CG2-CG 4.36Å; I277-L281 WeakPolarHBondContact O-CG 3.47Å; I277-L281 PolarHBondContact O-N 2.88Å; I277-L281 VanDerWaalsContact O-N 3.08Å; I277-I321 HydrophobicContact CG1-CD1 3.85Å
278F98.6Very high96.7Very high0 Ų025.1 Ų25.10%013%0.127CC..Hα-helixtrans-58.5-46.7175.7174.4-88.8000111.8V244 L247 M248 V254 V259 L263 P274 T275 A276 V280 L281 H282 Y303V244-F278 HydrophobicContact CG1-CB 4.12Å; V244-F278 HydrophobicContact CG1-CD2 4.25Å; V244-F278 HydrophobicContact CG2-CB 4.17Å; L247-F278 HydrophobicContact CB-CD2 4.09Å; L247-F278 HydrophobicContact CB-CE2 3.49Å; L247-F278 VanDerWaalsContact CB-CE2 3.49Å; L247-F278 HydrophobicContact CB-CZ 4.39Å; L247-F278 HydrophobicContact CD1-CD2 4.21Å; L247-F278 HydrophobicContact CD1-CE2 4.1Å; L247-F278 HydrophobicContact CG-CE2 4.37Å; M248-F278 HydrophobicContact CE-CD2 3.76Å; M248-F278 HydrophobicContact CE-CE2 3.18Å; M248-F278 HydrophobicContact CE-CZ 3.73Å; V254-F278 HydrophobicContact CG1-CZ 4.49Å; V259-F278 HydrophobicContact CB-CE1 4.32Å; V259-F278 HydrophobicContact CG1-CD1 3.76Å; V259-F278 HydrophobicContact CG1-CE1 3.79Å; V259-F278 HydrophobicContact CG1-CG 4.47Å; V259-F278 HydrophobicContact CG1-CZ 4.49Å; V259-F278 HydrophobicContact CG2-CD1 4.27Å; V259-F278 HydrophobicContact CG2-CE1 3.47Å; V259-F278 VanDerWaalsContact CG2-CE1 3.47Å; V259-F278 HydrophobicContact CG2-CE2 4.44Å; V259-F278 HydrophobicContact CG2-CZ 3.57Å; L263-F278 HydrophobicContact CD1-CB 3.6Å; L263-F278 HydrophobicContact CD1-CD1 4.44Å; L263-F278 HydrophobicContact CD1-CD2 4.14Å; L263-F278 HydrophobicContact CD1-CG 3.8Å; P274-F278 PolarHBondContact O-N 3.5Å; T275-F278 WeakPolarHBondContact O-CB 3.48Å; T275-F278 PolarHBondContact O-N 2.82Å; T275-F278 VanDerWaalsContact O-N 3.14Å; A276-F278 VanDerWaalsContact C-N 3.35Å; F278-V280 PolarHBondContact O-N 3.43Å; F278-L281 PolarHBondContact O-N 3.45Å; F278-H282 HydrophobicContact CD1-CB 4.29Å; F278-H282 HydrophobicContact CE1-CB 3.88Å; F278-H282 AromaticContact CE1-CG 3.96Å; F278-H282 HydrophobicContact CZ-CB 4.04Å; F278-H282 AromaticContact CZ-CG 3.92Å; F278-H282 AromaticContact CZ-ND1 3.67Å; F278-H282 WeakPolarHBondContact O-CB 3.35Å; F278-H282 PolarHBondContact O-N 3.32Å; F278-Y303 HydrophobicContact CD1-CE1 4.21Å; F278-Y303 AromaticContact CE1-CE1 3.75Å; F278-Y303 HydrophobicContact CE1-CE1 3.75Å; F278-Y303 AromaticContact CE1-CZ 4Å
279C98.4Very high96.1Very high0 Ų027.2 Ų27.20%015%0.151CC..Hα-helixtrans-54.1-41.1178.8-67.30000112.2T275 A276 I277 C283 T300 Y303 L307 A318T275-C279 PolarHBondContact O-N 3.2Å; T275-C279 PolarHBondContact O-SG 3.41Å; A276-C279 PolarHBondContact O-N 3.14Å; I277-C279 PolarHBondContact O-N 3.48Å; C279-C283 VanDerWaalsContact O-CB 3.25Å; C279-C283 WeakPolarHBondContact O-CB 3.21Å; C279-C283 PolarHBondContact O-N 2.99Å; C279-C283 PolarHBondContact O-SG 3.27Å; C279-T300 HydrophobicContact CB-CG2 4.33Å; C279-Y303 HydrophobicContact CB-CD1 4.35Å; C279-L307 WeakPolarHBondContact SG-CD1 3.27Å; C279-A318 HydrophobicContact CB-CB 4.22Å
280V98.6Very high95.9Very high1 Ų128.1 Ų28.11%0.00616%0.156CC..Hα-helixtrans-67.9-53178.1-179.20000110.6L198 A276 I277 F278 H282 C283 L284 T300 A318 I321 A322L198-V280 HydrophobicContact CD1-CG1 3.75Å; A276-V280 WeakPolarHBondContact O-CG2 3.38Å; A276-V280 PolarHBondContact O-N 3.21Å; I277-V280 PolarHBondContact O-N 2.91Å; F278-V280 PolarHBondContact O-N 3.43Å; V280-H282 VanDerWaalsContact C-N 3.31Å; V280-H282 PolarHBondContact O-N 3.44Å; V280-C283 CarbonylContact O-C 3.02Å; V280-C283 PolarHBondContact O-N 3.17Å; V280-C283 VanDerWaalsContact O-N 3.08Å; V280-L284 WeakPolarHBondContact O-CG 3.44Å; V280-L284 PolarHBondContact O-N 3.48Å; V280-L284 VanDerWaalsContact O-N 3.15Å; V280-T300 HydrophobicContact CG2-CG2 3.88Å; V280-A318 HydrophobicContact CG2-CB 4.1Å; V280-A318 WeakPolarHBondContact CG2-O 3.39Å; V280-I321 HydrophobicContact CB-CG2 4.34Å; V280-I321 HydrophobicContact CG1-CG2 3.99Å; V280-I321 HydrophobicContact CG2-CB 3.88Å; V280-I321 HydrophobicContact CG2-CD1 4.46Å; V280-I321 HydrophobicContact CG2-CG2 3.98Å; V280-A322 HydrophobicContact CG1-CB 4.43Å; V280-A322 HydrophobicContact CG2-CB 4.33Å
281L97.3Very high95.7Very high19 Ų1929.2 Ų29.210%0.09916%0.163CC..Hα-helixtrans-61.1-42.4-178.4-66.6177.7000111.6L198 F206 I207 V244 M248 I277 F278 C283 L284L198-L281 HydrophobicContact CD2-CD2 3.48Å; L198-L281 VanDerWaalsContact CD2-CD2 3.48Å; F206-L281 HydrophobicContact CD1-CD2 4.01Å; F206-L281 HydrophobicContact CE1-CD2 4.45Å; I207-L281 HydrophobicContact CD1-CD1 4.11Å; V244-L281 HydrophobicContact CG1-CD1 3.93Å; M248-L281 HydrophobicContact CG-CB 4.29Å; M248-L281 HydrophobicContact SD-CB 3.58Å; M248-L281 VanDerWaalsContact SD-CB 3.58Å; I277-L281 HydrophobicContact CG2-CD1 3.92Å; I277-L281 HydrophobicContact CG2-CG 4.36Å; I277-L281 WeakPolarHBondContact O-CG 3.47Å; I277-L281 PolarHBondContact O-N 2.88Å; I277-L281 VanDerWaalsContact O-N 3.08Å; F278-L281 PolarHBondContact O-N 3.45Å; L281-C283 VanDerWaalsContact C-N 3.35Å; L281-L284 HydrophobicContact CD2-CD1 4.13Å; L281-L284 PolarHBondContact O-N 2.94Å
282H95.1Very high95.4Very high12 Ų1235.8 Ų35.86%0.05619%0.194CC..Hα-helixtrans-60.5-45.5173.9-163.872.9000109.7M248 F278 V280 L284 R287 Y303M248-H282 HydrophobicContact CE-CB 3.77Å; M248-H282 WeakPolarHBondContact CE-ND1 3.38Å; F278-H282 HydrophobicContact CD1-CB 4.29Å; F278-H282 HydrophobicContact CE1-CB 3.88Å; F278-H282 AromaticContact CE1-CG 3.96Å; F278-H282 HydrophobicContact CZ-CB 4.04Å; F278-H282 AromaticContact CZ-CG 3.92Å; F278-H282 AromaticContact CZ-ND1 3.67Å; F278-H282 WeakPolarHBondContact O-CB 3.35Å; F278-H282 PolarHBondContact O-N 3.32Å; V280-H282 VanDerWaalsContact C-N 3.31Å; V280-H282 PolarHBondContact O-N 3.44Å; H282-L284 VanDerWaalsContact C-N 3.33Å; H282-L284 PolarHBondContact O-N 3.21Å; H282-R287 PolarHBondContact O-NE 2.91Å; H282-R287 PolarHBondContact O-NH2 3.01Å; H282-Y303 AromaticContact CD2-CD2 3.84Å; H282-Y303 AromaticContact CD2-CE2 3.51Å; H282-Y303 AromaticContact CD2-CZ 3.82Å; H282-Y303 AromaticContact NE2-CE2 3.69Å
283C96.2Very high95.1Very high0 Ų041.5 Ų41.50%022%0.215CC..Hα-helixtrans-86.28.5-174.8-64.30000115.8C279 V280 L281 E285 R299 T300 Y303C279-C283 VanDerWaalsContact O-CB 3.25Å; C279-C283 WeakPolarHBondContact O-CB 3.21Å; C279-C283 PolarHBondContact O-N 2.99Å; C279-C283 PolarHBondContact O-SG 3.27Å; V280-C283 CarbonylContact O-C 3.02Å; V280-C283 PolarHBondContact O-N 3.17Å; V280-C283 VanDerWaalsContact O-N 3.08Å; L281-C283 VanDerWaalsContact C-N 3.35Å; C283-E285 PolarHBondContact O-N 3.27Å; C283-R299 HydrophobicContact CB-CB 3.75Å; C283-R299 PolarHBondContact O-NE 3.37Å; C283-R299 VanDerWaalsContact O-NE 3.16Å; C283-R299 PolarHBondContact O-NH2 3.24Å; C283-R299 VanDerWaalsContact SG-C 3.56Å; C283-R299 PolarHBondContact SG-O 2.8Å; C283-R299 VanDerWaalsContact SG-O 3.4Å; C283-T300 WeakPolarHBondContact CB-OG1 3.34Å; C283-Y303 VanDerWaalsContact SG-CB 3.53Å
284L95Very high94.9Very high14 Ų1441.8 Ų41.87%0.07322%0.217CC..THydrogen-bonded Turntrans-59.9-31.6174-67.8177.7000112.9L198 R203 V280 L281 H282 R299 Y326L198-L284 HydrophobicContact CB-CD2 4.41Å; L198-L284 HydrophobicContact CD2-CD1 4.26Å; R203-L284 HydrophobicContact CG-CD1 3.84Å; V280-L284 WeakPolarHBondContact O-CG 3.44Å; V280-L284 PolarHBondContact O-N 3.48Å; V280-L284 VanDerWaalsContact O-N 3.15Å; L281-L284 HydrophobicContact CD2-CD1 4.13Å; L281-L284 PolarHBondContact O-N 2.94Å; H282-L284 VanDerWaalsContact C-N 3.33Å; H282-L284 PolarHBondContact O-N 3.21Å; L284-R299 PolarHBondContact O-NH2 2.91Å; L284-Y326 WeakPolarHBondContact CD2-OH 3.43Å
285E91.8Very high94.8Very high95 Ų9542.8 Ų42.844%0.44423%0.226SC..SBendtrans-112.1160.4177-61.3-58.314700110.7R203 C283 R299R203-E285 IonicContact CZ-OE1 2.7Å; R203-E285 IonicContact NH1-OE1 3.44Å; R203-E285 PolarHBondContact NH1-OE1 3.49Å; C283-E285 PolarHBondContact O-N 3.27Å; E285-R299 PolarHBondContact O-NE 3.49Å; E285-R299 VanDerWaalsContact O-NE 3.11Å; E285-R299 PolarHBondContact O-NH2 3.39Å
286P92.8Very high94.7Very high93 Ų9343.1 Ų43.160%0.60423%0.23SC*.  trans-55.5145173.4-24.935.2000112.3
287R90.5Very high94.6Very high25 Ų2543.1 Ų43.19%0.09423%0.23CC..  trans-125.5141.1-178.6-63-62.7171.5-171.9-1.2111.6N251 N252 H282 L290N251-R287 PolarHBondContact OD1-NH1 3.19Å; N252-R287 PolarHBondContact OD1-NH1 3.01Å; H282-R287 PolarHBondContact O-NE 2.91Å; H282-R287 PolarHBondContact O-NH2 3.01Å; R287-L290 HydrophobicContact CB-CD1 4.12Å; R287-L290 HydrophobicContact CB-CG 4.49Å; R287-L290 PolarHBondContact O-N 3.35Å
288E87.8Confident94.6Very high188 Ų18844.2 Ų44.288%0.87924%0.235SC*.THydrogen-bonded Turntrans-61.6141.8172.8-170.3172.1-176.400109.8L290E288-L290 PolarHBondContact O-N 3.42Å
289G86.3Confident94.5Very high58 Ų5845.3 Ų45.360%0.59824%0.239SC*.THydrogen-bonded Turntrans82.2-9.8-175.500000115.1
290L93.7Very high94.5Very high19 Ų1945.3 Ų45.310%0.09924%0.239CC..SBendtrans-103147.8171.5-65.7-178.8000111.7M45 L49 R287 E288 E292 R299 A302M45-L290 HydrophobicContact CE-CD2 3.86Å; M45-L290 HydrophobicContact CG-CD2 4.34Å; M45-L290 HydrophobicContact SD-CD2 3.51Å; M45-L290 VanDerWaalsContact SD-CD2 3.51Å; L49-L290 HydrophobicContact CD2-CD2 4.23Å; R287-L290 HydrophobicContact CB-CD1 4.12Å; R287-L290 HydrophobicContact CB-CG 4.49Å; R287-L290 PolarHBondContact O-N 3.35Å; E288-L290 PolarHBondContact O-N 3.42Å; L290-E292 PolarHBondContact O-N 3.31Å; L290-R299 HydrophobicContact CB-CG 4.47Å; L290-R299 HydrophobicContact CD1-CB 3.79Å; L290-R299 HydrophobicContact CD1-CG 3.78Å; L290-A302 HydrophobicContact CD2-CB 3.79Å
291P94.4Very high94.5Very high29 Ų2945.5 Ų45.519%0.18824%0.24CC..  trans-60134.3178.5-24.334.2000112.9L49 R293 Y294L49-P291 HydrophobicContact CD2-CG 4.03Å; P291-R293 HydrophobicContact CB-CG 4.14Å; P291-R293 PolarHBondContact O-N 3.47Å; P291-Y294 HydrophobicContact CB-CD1 3.85Å; P291-Y294 HydrophobicContact CB-CE1 4.06Å; P291-Y294 HydrophobicContact CB-CG 4.19Å; P291-Y294 HydrophobicContact CG-CD1 4.05Å; P291-Y294 HydrophobicContact CG-CD2 4.34Å; P291-Y294 HydrophobicContact CG-CE1 3.84Å; P291-Y294 HydrophobicContact CG-CE2 4.16Å; P291-Y294 HydrophobicContact CG-CG 4.29Å; P291-Y294 WeakPolarHBondContact O-CB 3.44Å; P291-Y294 PolarHBondContact O-N 3.06Å
292E92.9Very high94.6Very high198 Ų19844.6 Ų44.693%0.92524%0.235SC*.THydrogen-bonded Turntrans-57.4-26178.1-67.1-175.6170.400113.6L290 Y294L290-E292 PolarHBondContact O-N 3.31Å; E292-Y294 VanDerWaalsContact C-N 3.29Å; E292-Y294 PolarHBondContact O-N 2.94Å
293R92.9Very high94.7Very high120 Ų12044.6 Ų44.645%0.45324%0.235SC..THydrogen-bonded Turntrans-73.4-18.4178.975.6-177.7-170.4-86.73.1113.8N53 E56 P291 G295N53-R293 PolarHBondContact OD1-NH2 3.35Å; E56-R293 IonicContact OE2-NH2 3.2Å; E56-R293 PolarHBondContact OE2-NH2 2.76Å; P291-R293 HydrophobicContact CB-CG 4.14Å; P291-R293 PolarHBondContact O-N 3.47Å; R293-G295 PolarHBondContact O-N 3.24Å
294Y95Very high94.9Very high6 Ų644.6 Ų44.62%0.02424%0.235CC..  trans-70126.6-176.8-80.315000110.2L49 L52 P291 E292 E298 R299 A302L49-Y294 HydrophobicContact CD2-CE2 3.86Å; L52-Y294 HydrophobicContact CD1-CE2 4.16Å; P291-Y294 HydrophobicContact CB-CD1 3.85Å; P291-Y294 HydrophobicContact CB-CE1 4.06Å; P291-Y294 HydrophobicContact CB-CG 4.19Å; P291-Y294 HydrophobicContact CG-CD1 4.05Å; P291-Y294 HydrophobicContact CG-CD2 4.34Å; P291-Y294 HydrophobicContact CG-CE1 3.84Å; P291-Y294 HydrophobicContact CG-CE2 4.16Å; P291-Y294 HydrophobicContact CG-CG 4.29Å; P291-Y294 WeakPolarHBondContact O-CB 3.44Å; P291-Y294 PolarHBondContact O-N 3.06Å; E292-Y294 VanDerWaalsContact C-N 3.29Å; E292-Y294 PolarHBondContact O-N 2.94Å; Y294-E298 HydrophobicContact CD1-CB 4.3Å; Y294-E298 HydrophobicContact CD2-CB 3.76Å; Y294-E298 HydrophobicContact CE2-CB 4.3Å; Y294-E298 HydrophobicContact CG-CB 3.76Å; Y294-R299 PolarHBondContact O-NH1 3.28Å; Y294-A302 HydrophobicContact CE2-CB 4.24Å
295G96Very high95Very high20 Ų2044 Ų4421%0.20623%0.231CC..  trans-66.9175164.700000111.5R293 L297 E298 R299R293-G295 PolarHBondContact O-N 3.24Å; G295-L297 VanDerWaalsContact C-N 3.26Å; G295-L297 PolarHBondContact O-N 2.88Å; G295-E298 VanDerWaalsContact C-OE2 3.31Å; G295-E298 WeakPolarHBondContact CA-OE2 3.45Å; G295-E298 PolarHBondContact N-OE2 3.03Å; G295-E298 PolarHBondContact O-N 3.26Å; G295-R299 WeakPolarHBondContact O-CG 3.23Å; G295-R299 PolarHBondContact O-N 3.44Å
296G96.9Very high95.3Very high7 Ų739.6 Ų39.67%0.07221%0.212CC..Hα-helixtrans-64.3-31.8-177.800000113.6T300 Y326G296-T300 WeakPolarHBondContact O-CB 3.46Å; G296-T300 PolarHBondContact O-N 3.27Å; G296-T300 PolarHBondContact O-OG1 3.38Å; G296-Y326 VanDerWaalsContact C-CE2 3.45Å; G296-Y326 WeakPolarHBondContact CA-OH 3.33Å
297L97.7Very high95.6Very high0 Ų035.2 Ų35.20%018%0.183CC..Hα-helixtrans-67.7-49175.9-173.7147000111.4A26 G295 R299 T300 M301 Y326 I331 W335A26-L297 HydrophobicContact CB-CD1 3.97Å; G295-L297 VanDerWaalsContact C-N 3.26Å; G295-L297 PolarHBondContact O-N 2.88Å; L297-R299 VanDerWaalsContact C-N 3.27Å; L297-R299 PolarHBondContact O-N 3.5Å; L297-T300 PolarHBondContact O-N 2.76Å; L297-M301 HydrophobicContact CD2-CE 4.5Å; L297-M301 HydrophobicContact CD2-CG 4.25Å; L297-M301 WeakPolarHBondContact O-CG 3.48Å; L297-M301 PolarHBondContact O-N 2.94Å; L297-Y326 HydrophobicContact CB-CD2 4.02Å; L297-I331 HydrophobicContact CD1-CD1 4.3Å; L297-I331 HydrophobicContact CD1-CG1 3.66Å; L297-I331 HydrophobicContact CD2-CG1 4.38Å; L297-W335 HydrophobicContact CD2-CZ3 4.5Å
298E97.9Very high96Very high25 Ų2534 Ų3412%0.11718%0.179CC..Hα-helixtrans-63.2-36.5178.2-57.7102.4122.500111.6Y294 G295 M301 A302 P332 W335Y294-E298 HydrophobicContact CD1-CB 4.3Å; Y294-E298 HydrophobicContact CD2-CB 3.76Å; Y294-E298 HydrophobicContact CE2-CB 4.3Å; Y294-E298 HydrophobicContact CG-CB 3.76Å; G295-E298 VanDerWaalsContact C-OE2 3.31Å; G295-E298 WeakPolarHBondContact CA-OE2 3.45Å; G295-E298 PolarHBondContact N-OE2 3.03Å; G295-E298 PolarHBondContact O-N 3.26Å; E298-M301 PolarHBondContact O-N 3.22Å; E298-A302 WeakPolarHBondContact O-CB 3.47Å; E298-A302 PolarHBondContact O-N 3.14Å; E298-P332 HydrophobicContact CG-CG 3.85Å; E298-W335 HydrophobicContact CB-CH2 3.8Å; E298-W335 HydrophobicContact CB-CZ2 4.49Å; E298-W335 HydrophobicContact CB-CZ3 4.38Å; E298-W335 HydrophobicContact CG-CH2 3.74Å; E298-W335 HydrophobicContact CG-CZ2 4.19Å; E298-W335 HydrophobicContact CG-CZ3 4.11Å
299R98.1Very high96.5Very high23 Ų2325.9 Ų25.99%0.08715%0.145CC..Hα-helixtrans-63.5-46173.1-70.1-168.8-54.1-92.94.4112C283 L284 E285 L290 Y294 G295 L297 M301 A302 Y303C283-R299 HydrophobicContact CB-CB 3.75Å; C283-R299 PolarHBondContact O-NE 3.37Å; C283-R299 VanDerWaalsContact O-NE 3.16Å; C283-R299 PolarHBondContact O-NH2 3.24Å; C283-R299 VanDerWaalsContact SG-C 3.56Å; C283-R299 PolarHBondContact SG-O 2.8Å; C283-R299 VanDerWaalsContact SG-O 3.4Å; L284-R299 PolarHBondContact O-NH2 2.91Å; E285-R299 PolarHBondContact O-NE 3.49Å; E285-R299 VanDerWaalsContact O-NE 3.11Å; E285-R299 PolarHBondContact O-NH2 3.39Å; L290-R299 HydrophobicContact CB-CG 4.47Å; L290-R299 HydrophobicContact CD1-CB 3.79Å; L290-R299 HydrophobicContact CD1-CG 3.78Å; Y294-R299 PolarHBondContact O-NH1 3.28Å; G295-R299 WeakPolarHBondContact O-CG 3.23Å; G295-R299 PolarHBondContact O-N 3.44Å; L297-R299 VanDerWaalsContact C-N 3.27Å; L297-R299 PolarHBondContact O-N 3.5Å; R299-M301 VanDerWaalsContact C-N 3.32Å; R299-M301 PolarHBondContact O-N 2.96Å; R299-A302 PolarHBondContact O-N 3.24Å; R299-Y303 WeakPolarHBondContact O-CB 3.4Å; R299-Y303 PolarHBondContact O-N 3.33Å
300T98.6Very high97Very high0 Ų023.6 Ų23.60%012%0.119CC..Hα-helixtrans-57.9-45.7176.7-66.80000111.2C279 V280 C283 G296 L297 S304 A318 A322C279-T300 HydrophobicContact CB-CG2 4.33Å; V280-T300 HydrophobicContact CG2-CG2 3.88Å; C283-T300 WeakPolarHBondContact CB-OG1 3.34Å; G296-T300 WeakPolarHBondContact O-CB 3.46Å; G296-T300 PolarHBondContact O-N 3.27Å; G296-T300 PolarHBondContact O-OG1 3.38Å; L297-T300 PolarHBondContact O-N 2.76Å; T300-S304 WeakPolarHBondContact O-CB 3.37Å; T300-S304 PolarHBondContact O-N 2.85Å; T300-S304 PolarHBondContact O-OG 2.82Å; T300-S304 VanDerWaalsContact O-OG 3.13Å; T300-A318 HydrophobicContact CG2-CB 3.71Å; T300-A322 HydrophobicContact CG2-CB 4.11Å
301M98.4Very high97.3Very high4 Ų422.7 Ų22.72%0.0211%0.114CC..Hα-helixtrans-60.9-54177.2-67-56.7-171.600111.3A26 L29 L297 E298 R299 Y303 S304 L305 A315 G319 W335A26-M301 HydrophobicContact CB-CE 4.18Å; A26-M301 WeakPolarHBondContact O-CE 3.43Å; L29-M301 HydrophobicContact CB-CE 4.28Å; L297-M301 HydrophobicContact CD2-CE 4.5Å; L297-M301 HydrophobicContact CD2-CG 4.25Å; L297-M301 WeakPolarHBondContact O-CG 3.48Å; L297-M301 PolarHBondContact O-N 2.94Å; E298-M301 PolarHBondContact O-N 3.22Å; R299-M301 VanDerWaalsContact C-N 3.32Å; R299-M301 PolarHBondContact O-N 2.96Å; M301-Y303 VanDerWaalsContact C-N 3.31Å; M301-Y303 PolarHBondContact O-N 3.25Å; M301-S304 PolarHBondContact O-N 3.28Å; M301-S304 PolarHBondContact O-OG 2.95Å; M301-L305 WeakPolarHBondContact O-CD1 3.27Å; M301-L305 PolarHBondContact O-N 2.9Å; M301-L305 VanDerWaalsContact O-N 3.12Å; M301-A315 HydrophobicContact SD-CB 4.44Å; M301-G319 VanDerWaalsContact CE-CA 3.49Å; M301-W335 HydrophobicContact CB-CH2 4.43Å; M301-W335 HydrophobicContact CB-CZ3 4.05Å; M301-W335 HydrophobicContact CG-CZ3 3.98Å
302A98.3Very high97.5Very high0 Ų021.4 Ų21.40%011%0.106CC..Hα-helixtrans-57.2-44.3-179.500000112.4M45 V48 L52 L290 Y294 E298 R299 L305 A306M45-A302 HydrophobicContact SD-CB 4.47Å; V48-A302 HydrophobicContact CG1-CB 4.13Å; L52-A302 HydrophobicContact CD1-CB 3.68Å; L290-A302 HydrophobicContact CD2-CB 3.79Å; Y294-A302 HydrophobicContact CE2-CB 4.24Å; E298-A302 WeakPolarHBondContact O-CB 3.47Å; E298-A302 PolarHBondContact O-N 3.14Å; R299-A302 PolarHBondContact O-N 3.24Å; A302-L305 PolarHBondContact O-N 3.4Å; A302-A306 PolarHBondContact O-N 3.47Å; A302-A306 VanDerWaalsContact O-N 3.16Å
303Y98.3Very high97.8Very high13 Ų1312.2 Ų12.25%0.0516%0.063CC..Hα-helixtrans-66.1-42.6179.3-166-84.5000112.1I256 F278 C279 H282 C283 R299 M301 L305 A306 L307I256-Y303 HydrophobicContact CG1-CE2 4.5Å; F278-Y303 HydrophobicContact CD1-CE1 4.21Å; F278-Y303 AromaticContact CE1-CE1 3.75Å; F278-Y303 HydrophobicContact CE1-CE1 3.75Å; F278-Y303 AromaticContact CE1-CZ 4Å; C279-Y303 HydrophobicContact CB-CD1 4.35Å; H282-Y303 AromaticContact CD2-CD2 3.84Å; H282-Y303 AromaticContact CD2-CE2 3.51Å; H282-Y303 AromaticContact CD2-CZ 3.82Å; H282-Y303 AromaticContact NE2-CE2 3.69Å; C283-Y303 VanDerWaalsContact SG-CB 3.53Å; R299-Y303 WeakPolarHBondContact O-CB 3.4Å; R299-Y303 PolarHBondContact O-N 3.33Å; M301-Y303 VanDerWaalsContact C-N 3.31Å; M301-Y303 PolarHBondContact O-N 3.25Å; Y303-L305 VanDerWaalsContact C-N 3.32Å; Y303-L305 PolarHBondContact O-N 3.21Å; Y303-A306 PolarHBondContact O-N 3.25Å; Y303-L307 HydrophobicContact CD1-CD1 4.46Å; Y303-L307 HydrophobicContact CD1-CG 4.38Å; Y303-L307 HydrophobicContact CE1-CD1 4.24Å; Y303-L307 HydrophobicContact CE1-CD2 3.84Å; Y303-L307 HydrophobicContact CE1-CG 4.15Å; Y303-L307 PolarHBondContact O-N 2.97Å
304S98.6Very high98.1Very high0 Ų06.5 Ų6.50%04%0.041CC..Hα-helixtrans-60.5-39.9178.559.80000113T300 M301 L307 A315T300-S304 WeakPolarHBondContact O-CB 3.37Å; T300-S304 PolarHBondContact O-N 2.85Å; T300-S304 PolarHBondContact O-OG 2.82Å; T300-S304 VanDerWaalsContact O-OG 3.13Å; M301-S304 PolarHBondContact O-N 3.28Å; M301-S304 PolarHBondContact O-OG 2.95Å; S304-L307 PolarHBondContact O-N 3.14Å; S304-A315 WeakPolarHBondContact OG-CB 3.45Å
305L98.6Very high98.2Very high0 Ų06.2 Ų6.20%04%0.04CC..Hα-helixtrans-67.4-38.9176.8-91.361.5000112.1V33 F37 V43 V48 M301 A302 Y303 L307 G308 A315V33-L305 HydrophobicContact CG1-CD2 3.85Å; F37-L305 HydrophobicContact CD2-CB 4.43Å; F37-L305 HydrophobicContact CD2-CD2 3.67Å; F37-L305 HydrophobicContact CD2-CG 3.98Å; F37-L305 HydrophobicContact CE2-CD2 3.7Å; F37-L305 HydrophobicContact CE2-CG 4.46Å; V43-L305 WeakPolarHBondContact CB-O 3.28Å; V48-L305 HydrophobicContact CG1-CB 3.82Å; V48-L305 HydrophobicContact CG1-CD2 4.03Å; V48-L305 HydrophobicContact CG2-CB 3.92Å; M301-L305 WeakPolarHBondContact O-CD1 3.27Å; M301-L305 PolarHBondContact O-N 2.9Å; M301-L305 VanDerWaalsContact O-N 3.12Å; A302-L305 PolarHBondContact O-N 3.4Å; Y303-L305 VanDerWaalsContact C-N 3.32Å; Y303-L305 PolarHBondContact O-N 3.21Å; L305-L307 PolarHBondContact O-N 3.38Å; L305-G308 PolarHBondContact O-N 2.87Å; L305-G308 VanDerWaalsContact O-N 3.07Å; L305-A315 HydrophobicContact CD1-CB 3.68Å
306A98.2Very high98.4Very high3 Ų35.3 Ų5.33%0.0253%0.031CC..Hα-helixtrans-67.8-15.5-178.700000113.4M45 V48 I256 A302 Y303 G308M45-A306 HydrophobicContact CE-CB 3.37Å; M45-A306 HydrophobicContact SD-CB 4.11Å; V48-A306 HydrophobicContact CG2-CB 4.13Å; I256-A306 HydrophobicContact CD1-CB 3.78Å; A302-A306 PolarHBondContact O-N 3.47Å; A302-A306 VanDerWaalsContact O-N 3.16Å; Y303-A306 PolarHBondContact O-N 3.25Å; A306-G308 PolarHBondContact O-N 2.88Å
307L98.2Very high98.5Very high2 Ų25.1 Ų5.11%0.013%0.028CC..THydrogen-bonded Turntrans-72.1-15.4172.5-64.3-179.4000113I256 V259 I260 N265 T275 C279 Y303 S304 L305I256-L307 HydrophobicContact CB-CD2 4.47Å; I256-L307 HydrophobicContact CG1-CD2 4.34Å; I256-L307 HydrophobicContact CG2-CD2 3.99Å; V259-L307 HydrophobicContact CB-CD2 4.2Å; V259-L307 HydrophobicContact CG1-CD1 4.35Å; V259-L307 HydrophobicContact CG1-CD2 4.01Å; I260-L307 WeakPolarHBondContact CD1-O 3.4Å; I260-L307 HydrophobicContact CG1-CD2 4.23Å; N265-L307 PolarHBondContact ND2-O 3.18Å; T275-L307 HydrophobicContact CG2-CD1 3.34Å; C279-L307 WeakPolarHBondContact SG-CD1 3.27Å; Y303-L307 HydrophobicContact CD1-CD1 4.46Å; Y303-L307 HydrophobicContact CD1-CG 4.38Å; Y303-L307 HydrophobicContact CE1-CD1 4.24Å; Y303-L307 HydrophobicContact CE1-CD2 3.84Å; Y303-L307 HydrophobicContact CE1-CG 4.15Å; Y303-L307 PolarHBondContact O-N 2.97Å; S304-L307 PolarHBondContact O-N 3.14Å; L305-L307 PolarHBondContact O-N 3.38Å
308G98.3Very high98.5Very high0 Ų05.1 Ų5.10%03%0.028CC..  trans60.8-163.4-175.200000113.3A40 L305 A306 D310 T311A40-G308 WeakPolarHBondContact O-CA 3.49Å; L305-G308 PolarHBondContact O-N 2.87Å; L305-G308 VanDerWaalsContact O-N 3.07Å; A306-G308 PolarHBondContact O-N 2.88Å; G308-D310 PolarHBondContact O-N 3.15Å; G308-T311 VanDerWaalsContact C-CG2 3.45Å; G308-T311 VanDerWaalsContact CA-CG2 3.49Å; G308-T311 WeakPolarHBondContact O-CG2 3.48Å
309G98.4Very high98.6Very high16 Ų163.9 Ų3.917%0.1652%0.023CC..SBendtrans68.1-124.2-177.300000111.8G39 A40 N265 T311G39-G309 PolarHBondContact N-O 2.91Å; A40-G309 PolarHBondContact O-N 3.1Å; N265-G309 CarbonylContact O-C 3.49Å; N265-G309 WeakPolarHBondContact O-CA 3.37Å; G309-T311 VanDerWaalsContact C-N 3.25Å; G309-T311 PolarHBondContact O-N 3.41Å
310D98.6Very high98.6Very high10 Ų102.9 Ų2.95%0.0532%0.019CC..SBendtrans-85.663.7-176.5-166.420.3000111.6N143 N265 I267 G308 T313 I314N143-D310 PolarHBondContact ND2-OD2 2.98Å; N265-D310 PolarHBondContact O-N 3.46Å; I267-D310 WeakPolarHBondContact CA-OD2 3.31Å; I267-D310 HydrophobicContact CG2-CB 4.26Å; G308-D310 PolarHBondContact O-N 3.15Å; D310-T313 PolarHBondContact OD1-OG1 2.87Å; D310-T313 WeakPolarHBondContact OD2-CB 3.31Å; D310-I314 WeakPolarHBondContact O-CB 3.46Å; D310-I314 VanDerWaalsContact O-CG1 3.26Å; D310-I314 WeakPolarHBondContact O-CG1 3.45Å; D310-I314 PolarHBondContact O-N 3.28Å
311T98.7Very high98.6Very high0 Ų03 Ų30%02%0.02CC..Hα-helixtrans-68.1-39.2-165470000113.8G34 F37 E38 G308 G309 A315G34-T311 PolarHBondContact O-OG1 3.48Å; F37-T311 HydrophobicContact CB-CG2 4.01Å; F37-T311 PolarHBondContact O-OG1 3.38Å; E38-T311 WeakPolarHBondContact CA-OG1 3.32Å; E38-T311 PolarHBondContact N-OG1 3.01Å; E38-T311 VanDerWaalsContact N-OG1 3.11Å; G308-T311 VanDerWaalsContact C-CG2 3.45Å; G308-T311 VanDerWaalsContact CA-CG2 3.49Å; G308-T311 WeakPolarHBondContact O-CG2 3.48Å; G309-T311 VanDerWaalsContact C-N 3.25Å; G309-T311 PolarHBondContact O-N 3.41Å; T311-A315 WeakPolarHBondContact O-CB 3.4Å; T311-A315 PolarHBondContact O-N 3.14Å
312D98.6Very high98.7Very high2 Ų22.8 Ų2.81%0.0112%0.019CC..Hα-helixtrans-62.8-48.4177.766.3-29.2000110.7S68 A315 C316S68-D312 PolarHBondContact OG-OD2 2.7Å; S68-D312 VanDerWaalsContact OG-OD2 3.06Å; D312-A315 PolarHBondContact O-N 3.37Å; D312-C316 WeakPolarHBondContact O-CB 3.17Å; D312-C316 PolarHBondContact O-N 2.75Å
313T98.9Very high98.7Very high5 Ų52.8 Ų2.83%0.0312%0.019CC..Hα-helixtrans-68.5-43.6-178.5-580000112.3D70 N143 M147 D310 C316 M317D70-T313 PolarHBondContact OD1-OG1 2.89Å; D70-T313 VanDerWaalsContact OD2-CA 3.29Å; D70-T313 WeakPolarHBondContact OD2-CA 3.14Å; D70-T313 PolarHBondContact OD2-OG1 3.31Å; N143-T313 HydrophobicContact CB-CG2 4.25Å; N143-T313 VanDerWaalsContact ND2-CG2 3.29Å; N143-T313 WeakPolarHBondContact ND2-CG2 3.29Å; M147-T313 HydrophobicContact CB-CG2 3.69Å; D310-T313 PolarHBondContact OD1-OG1 2.87Å; D310-T313 WeakPolarHBondContact OD2-CB 3.31Å; T313-C316 PolarHBondContact O-N 3.18Å; T313-M317 HydrophobicContact CG2-CE 3.92Å; T313-M317 HydrophobicContact CG2-SD 4.46Å; T313-M317 WeakPolarHBondContact O-CB 3.4Å; T313-M317 WeakPolarHBondContact O-CG 3.36Å; T313-M317 PolarHBondContact O-N 3.07Å
314I98.9Very high98.7Very high0 Ų02.1 Ų2.10%02%0.016CC..Hα-helixtrans-64.3-43.9177.3-68168.7000110.4N265 T275 A276 D310 M317 A318N265-I314 HydrophobicContact CB-CD1 4.12Å; T275-I314 HydrophobicContact CG2-CD1 4.44Å; T275-I314 HydrophobicContact CG2-CG2 4.38Å; A276-I314 HydrophobicContact CB-CG2 4.32Å; D310-I314 WeakPolarHBondContact O-CB 3.46Å; D310-I314 VanDerWaalsContact O-CG1 3.26Å; D310-I314 WeakPolarHBondContact O-CG1 3.45Å; D310-I314 PolarHBondContact O-N 3.28Å; I314-M317 PolarHBondContact O-N 2.9Å; I314-A318 VanDerWaalsContact O-CB 3.22Å; I314-A318 WeakPolarHBondContact O-CB 3.16Å; I314-A318 PolarHBondContact O-N 3.4Å
315A98.9Very high98.7Very high0 Ų02.8 Ų2.80%02%0.019CC..Hα-helixtrans-68.7-37.6178.400000112.2G30 M301 S304 L305 T311 D312 G319G30-A315 WeakPolarHBondContact O-CB 3.41Å; M301-A315 HydrophobicContact SD-CB 4.44Å; S304-A315 WeakPolarHBondContact OG-CB 3.45Å; L305-A315 HydrophobicContact CD1-CB 3.68Å; T311-A315 WeakPolarHBondContact O-CB 3.4Å; T311-A315 PolarHBondContact O-N 3.14Å; D312-A315 PolarHBondContact O-N 3.37Å; A315-G319 WeakPolarHBondContact O-CA 3.44Å; A315-G319 PolarHBondContact O-N 2.8Å
316C98.9Very high98.7Very high2 Ų24.8 Ų4.81%0.0143%0.027CC..Hα-helixtrans-58.4-50.5173.1173.50000111A27 D31 D70 D312 T313 G319 A320A27-C316 WeakPolarHBondContact CA-O 3.29Å; A27-C316 WeakPolarHBondContact O-CA 3.25Å; D31-C316 HydrophobicContact CB-CB 4.18Å; D70-C316 WeakPolarHBondContact OD2-CB 3.47Å; D312-C316 WeakPolarHBondContact O-CB 3.17Å; D312-C316 PolarHBondContact O-N 2.75Å; T313-C316 PolarHBondContact O-N 3.18Å; C316-G319 PolarHBondContact O-N 3.17Å; C316-A320 PolarHBondContact O-N 3.34Å
317M98.9Very high98.7Very high2 Ų24.7 Ų4.71%0.013%0.026CC..Hα-helixtrans-66.6-44.2178.8-71.4-170.7-60.100112.8A146 Q186 V273 A276 T313 I314 G319 A320 I321A146-M317 HydrophobicContact CB-SD 3.63Å; Q186-M317 HydrophobicContact CG-CG 4.13Å; Q186-M317 HydrophobicContact CG-SD 4.18Å; Q186-M317 PolarHBondContact NE2-O 3.36Å; V273-M317 HydrophobicContact CG2-CE 4.07Å; V273-M317 HydrophobicContact CG2-SD 3.75Å; A276-M317 HydrophobicContact CB-CB 3.72Å; A276-M317 HydrophobicContact CB-CE 4.28Å; T313-M317 HydrophobicContact CG2-CE 3.92Å; T313-M317 HydrophobicContact CG2-SD 4.46Å; T313-M317 WeakPolarHBondContact O-CB 3.4Å; T313-M317 WeakPolarHBondContact O-CG 3.36Å; T313-M317 PolarHBondContact O-N 3.07Å; I314-M317 PolarHBondContact O-N 2.9Å; M317-G319 VanDerWaalsContact C-N 3.34Å; M317-A320 PolarHBondContact O-N 2.95Å; M317-I321 WeakPolarHBondContact O-CG1 3.38Å; M317-I321 PolarHBondContact O-N 3Å
318A98.9Very high98.7Very high0 Ų05.5 Ų5.50%03%0.03CC..Hα-helixtrans-65.6-40.8177.600000111A276 C279 V280 T300 I314 I321 A322A276-A318 HydrophobicContact CB-CB 4.05Å; C279-A318 HydrophobicContact CB-CB 4.22Å; V280-A318 HydrophobicContact CG2-CB 4.1Å; V280-A318 WeakPolarHBondContact CG2-O 3.39Å; T300-A318 HydrophobicContact CG2-CB 3.71Å; I314-A318 VanDerWaalsContact O-CB 3.22Å; I314-A318 WeakPolarHBondContact O-CB 3.16Å; I314-A318 PolarHBondContact O-N 3.4Å; A318-I321 PolarHBondContact O-N 2.97Å; A318-A322 WeakPolarHBondContact O-CB 3.2Å; A318-A322 PolarHBondContact O-N 3.4Å
319G98.9Very high98.6Very high0 Ų09.7 Ų9.70%05%0.053CC..Hα-helixtrans-57-47.4173.700000112A26 M301 A315 C316 M317 I321 A322 G323A26-G319 WeakPolarHBondContact CB-O 3.41Å; M301-G319 VanDerWaalsContact CE-CA 3.49Å; A315-G319 WeakPolarHBondContact O-CA 3.44Å; A315-G319 PolarHBondContact O-N 2.8Å; C316-G319 PolarHBondContact O-N 3.17Å; M317-G319 VanDerWaalsContact C-N 3.34Å; G319-I321 VanDerWaalsContact C-N 3.32Å; G319-I321 PolarHBondContact O-N 2.92Å; G319-A322 PolarHBondContact O-N 3.36Å; G319-G323 WeakPolarHBondContact O-CA 3.38Å; G319-G323 PolarHBondContact O-N 3Å
320A98.9Very high98.5Very high2 Ų29.7 Ų9.72%0.0175%0.051CC..Hα-helixtrans-57.5-44176.800000112.9A23 A27 A150 V190 C316 M317 A324A23-A320 WeakPolarHBondContact O-CA 3.32Å; A27-A320 HydrophobicContact CB-CB 4Å; A150-A320 HydrophobicContact CB-CB 3.77Å; V190-A320 HydrophobicContact CG2-CB 3.94Å; C316-A320 PolarHBondContact O-N 3.34Å; M317-A320 PolarHBondContact O-N 2.95Å; A320-A324 WeakPolarHBondContact O-CB 3.13Å; A320-A324 PolarHBondContact O-N 3.39Å; A320-A324 VanDerWaalsContact O-N 3.1Å
321I98.9Very high98.3Very high1 Ų19.5 Ų9.51%0.0055%0.05CC..Hα-helixtrans-70-47.5179.4-58.4162.7000110.4A189 V190 S193 L198 I277 V280 M317 A318 G319 A324 H325A189-I321 HydrophobicContact CB-CD1 3.76Å; A189-I321 HydrophobicContact CB-CG1 4.01Å; V190-I321 HydrophobicContact CG2-CG1 3.86Å; S193-I321 WeakPolarHBondContact CB-O 3.46Å; S193-I321 PolarHBondContact OG-O 2.66Å; L198-I321 HydrophobicContact CD1-CG2 4.13Å; I277-I321 HydrophobicContact CG1-CD1 3.85Å; V280-I321 HydrophobicContact CB-CG2 4.34Å; V280-I321 HydrophobicContact CG1-CG2 3.99Å; V280-I321 HydrophobicContact CG2-CB 3.88Å; V280-I321 HydrophobicContact CG2-CD1 4.46Å; V280-I321 HydrophobicContact CG2-CG2 3.98Å; M317-I321 WeakPolarHBondContact O-CG1 3.38Å; M317-I321 PolarHBondContact O-N 3Å; A318-I321 PolarHBondContact O-N 2.97Å; G319-I321 VanDerWaalsContact C-N 3.32Å; G319-I321 PolarHBondContact O-N 2.92Å; I321-A324 PolarHBondContact O-N 3.26Å; I321-H325 PolarHBondContact O-N 3.46Å
322A98.8Very high98.1Very high0 Ų010 Ų100%05%0.053CC..Hα-helixtrans-65.2-40.8179.700000111.9V280 T300 A318 G319 H325 Y326V280-A322 HydrophobicContact CG1-CB 4.43Å; V280-A322 HydrophobicContact CG2-CB 4.33Å; T300-A322 HydrophobicContact CG2-CB 4.11Å; A318-A322 WeakPolarHBondContact O-CB 3.2Å; A318-A322 PolarHBondContact O-N 3.4Å; G319-A322 PolarHBondContact O-N 3.36Å; A322-H325 WeakPolarHBondContact O-CA 3.45Å; A322-H325 WeakPolarHBondContact O-CB 3.45Å; A322-H325 PolarHBondContact O-N 3.09Å; A322-Y326 HydrophobicContact CB-CD2 4.2Å; A322-Y326 HydrophobicContact CB-CE2 4.33Å; A322-Y326 WeakPolarHBondContact O-CD2 3.14Å; A322-Y326 PolarHBondContact O-N 3.34Å
323G98.8Very high97.8Very high0 Ų016 Ų160%08%0.081CC..Hα-helixtrans-63.1-39.5175.400000112.7G22 G319 H325 G327G22-G323 VanDerWaalsContact C-C 3.47Å; G22-G323 VanDerWaalsContact C-CA 3.45Å; G22-G323 CarbonylContact C-O 3.53Å; G22-G323 WeakPolarHBondContact O-CA 3.08Å; G319-G323 WeakPolarHBondContact O-CA 3.38Å; G319-G323 PolarHBondContact O-N 3Å; G323-H325 PolarHBondContact O-N 3.26Å; G323-G327 VanDerWaalsContact O-CA 3.32Å; G323-G327 WeakPolarHBondContact O-CA 3.47Å; G323-G327 PolarHBondContact O-N 3.36Å
324A98.8Very high97.3Very high0 Ų017.3 Ų17.30%09%0.088CC..Hα-helixtrans-63.7-25.5171.700000112.8R19 A23 V190 L194 A320 I321R19-A324 WeakPolarHBondContact CB-O 3.05Å; R19-A324 WeakPolarHBondContact CD-O 3.35Å; R19-A324 WeakPolarHBondContact CG-O 3.43Å; R19-A324 PolarHBondContact NH1-O 2.88Å; A23-A324 HydrophobicContact CB-CB 3.87Å; V190-A324 HydrophobicContact CG1-CB 4.34Å; L194-A324 HydrophobicContact CB-CB 4.31Å; A320-A324 WeakPolarHBondContact O-CB 3.13Å; A320-A324 PolarHBondContact O-N 3.39Å; A320-A324 VanDerWaalsContact O-N 3.1Å; I321-A324 PolarHBondContact O-N 3.26Å
325H98.4Very high97.1Very high14 Ų1417.3 Ų17.37%0.0659%0.088CC..Hα-helixtrans-84.7-50.8178.118043.8000112.9A11 R19 S193 L198 I321 A322 G323A11-H325 WeakPolarHBondContact CB-O 3.49Å; R19-H325 PolarHBondContact NH1-O 2.93Å; S193-H325 WeakPolarHBondContact OG-CB 3.31Å; S193-H325 PolarHBondContact OG-N 3.25Å; S193-H325 VanDerWaalsContact OG-N 3.15Å; L198-H325 HydrophobicContact CB-CB 4.48Å; L198-H325 HydrophobicContact CD1-CB 3.94Å; I321-H325 PolarHBondContact O-N 3.46Å; A322-H325 WeakPolarHBondContact O-CA 3.45Å; A322-H325 WeakPolarHBondContact O-CB 3.45Å; A322-H325 PolarHBondContact O-N 3.09Å; G323-H325 PolarHBondContact O-N 3.26Å
326Y98.4Very high96.8Very high42 Ų4219.5 Ų19.517%0.16510%0.098CC..Hα-helixtrans-92.1-17.6-171.5-63-65.9000113.7A11 L284 G296 L297 A322 A330A11-Y326 VanDerWaalsContact CB-C 3.47Å; A11-Y326 WeakPolarHBondContact CB-O 3.24Å; L284-Y326 WeakPolarHBondContact CD2-OH 3.43Å; G296-Y326 VanDerWaalsContact C-CE2 3.45Å; G296-Y326 WeakPolarHBondContact CA-OH 3.33Å; L297-Y326 HydrophobicContact CB-CD2 4.02Å; A322-Y326 HydrophobicContact CB-CD2 4.2Å; A322-Y326 HydrophobicContact CB-CE2 4.33Å; A322-Y326 WeakPolarHBondContact O-CD2 3.14Å; A322-Y326 PolarHBondContact O-N 3.34Å; Y326-A330 VanDerWaalsContact CB-CB 3.44Å; Y326-A330 HydrophobicContact CG-CB 4.4Å
327G98.4Very high96.5Very high0 Ų026.9 Ų26.90%013%0.125CC..  trans73.9174.1-178.800000113.9S18 G323 D329 A330S18-G327 CarbonylContact O-C 3.55Å; S18-G327 VanDerWaalsContact O-CA 3.24Å; S18-G327 WeakPolarHBondContact O-CA 3.29Å; G323-G327 VanDerWaalsContact O-CA 3.32Å; G323-G327 WeakPolarHBondContact O-CA 3.47Å; G323-G327 PolarHBondContact O-N 3.36Å; G327-D329 PolarHBondContact O-N 3.31Å; G327-A330 PolarHBondContact O-N 3.01Å
328I98.2Very high96.2Very high19 Ų1927.9 Ų27.910%0.09713%0.133CC..G310 helixtrans-62.6-29.5-175.7-166.573000112.7S18 R21 V25 A330 I331S18-I328 PolarHBondContact O-N 2.84Å; S18-I328 PolarHBondContact OG-N 3.18Å; R21-I328 HydrophobicContact CB-CB 3.79Å; R21-I328 HydrophobicContact CB-CD1 4.04Å; R21-I328 HydrophobicContact CB-CG1 4.1Å; R21-I328 HydrophobicContact CB-CG2 4.25Å; V25-I328 HydrophobicContact CB-CD1 3.82Å; V25-I328 HydrophobicContact CG1-CD1 4.02Å; V25-I328 HydrophobicContact CG2-CD1 3.75Å; I328-A330 PolarHBondContact O-N 3.21Å; I328-I331 HydrophobicContact CD1-CD1 3.93Å; I328-I331 WeakPolarHBondContact O-CB 3.27Å; I328-I331 PolarHBondContact O-N 3.14Å
329D96.1Very high96Very high89 Ų8928.3 Ų28.348%0.47614%0.135SC..G310 helixtrans-67.7-21.4-177.5-59.9-54.3000113.2S18 G327 I331S18-D329 PolarHBondContact OG-OD2 3.02Å; G327-D329 PolarHBondContact O-N 3.31Å; D329-I331 VanDerWaalsContact C-N 3.31Å
330A96Very high96Very high15 Ų1530.8 Ų30.812%0.12415%0.147CC..G310 helixtrans-79.9-11.817400000113.2Y326 G327 I328 P332Y326-A330 VanDerWaalsContact CB-CB 3.44Å; Y326-A330 HydrophobicContact CG-CB 4.4Å; G327-A330 PolarHBondContact O-N 3.01Å; I328-A330 PolarHBondContact O-N 3.21Å; A330-P332 WeakPolarHBondContact O-CD 3.32Å
331I95.8Very high95.9Very high6 Ų631.5 Ų31.53%0.03115%0.154CC..SBendtrans-82.4127.1179.4-59.1-174.1000109.7R7 V25 A26 L29 L297 I328 D329 Q333R7-I331 PolarHBondContact NH1-O 2.58Å; V25-I331 HydrophobicContact CB-CD1 3.87Å; V25-I331 HydrophobicContact CG1-CD1 3.66Å; A26-I331 HydrophobicContact CB-CD1 3.94Å; L29-I331 HydrophobicContact CD2-CG2 3.35Å; L297-I331 HydrophobicContact CD1-CD1 4.3Å; L297-I331 HydrophobicContact CD1-CG1 3.66Å; L297-I331 HydrophobicContact CD2-CG1 4.38Å; I328-I331 HydrophobicContact CD1-CD1 3.93Å; I328-I331 WeakPolarHBondContact O-CB 3.27Å; I328-I331 PolarHBondContact O-N 3.14Å; D329-I331 VanDerWaalsContact C-N 3.31Å; I331-Q333 PolarHBondContact O-N 3.41Å
332P93.6Very high95.8Very high10 Ų1031.5 Ų31.57%0.06515%0.154CC..  trans-60.7122.7170.3-23.634.7000110.8E298 A330 I334 W335 Q336E298-P332 HydrophobicContact CG-CG 3.85Å; A330-P332 WeakPolarHBondContact O-CD 3.32Å; P332-I334 HydrophobicContact CB-CG2 4.24Å; P332-I334 PolarHBondContact O-N 3.04Å; P332-I334 VanDerWaalsContact O-N 3.11Å; P332-W335 HydrophobicContact CB-CB 4.33Å; P332-W335 HydrophobicContact CB-CD2 4.22Å; P332-W335 HydrophobicContact CB-CG 3.91Å; P332-W335 HydrophobicContact CG-CD2 3.94Å; P332-W335 HydrophobicContact CG-CE3 4.29Å; P332-W335 HydrophobicContact CG-CG 4.18Å; P332-W335 WeakPolarHBondContact O-CB 3.02Å; P332-W335 PolarHBondContact O-N 2.99Å; P332-Q336 PolarHBondContact O-N 3.15Å
333Q91.8Very high95.8Very high128 Ų12838.5 Ų38.560%0.59819%0.187SC*.Hα-helixtrans-57.5-30.1-179.9-73.3-179.1-4.500112.6I331 Q336 R337I331-Q333 PolarHBondContact O-N 3.41Å; Q333-Q336 PolarHBondContact O-N 2.77Å; Q333-R337 WeakPolarHBondContact O-CG 3.28Å; Q333-R337 PolarHBondContact O-N 3.4Å; Q333-R337 VanDerWaalsContact O-N 3.08Å
334I90Very high95.7Very high34 Ų3441.5 Ų41.517%0.17420%0.203CC..Hα-helixtrans-67-41176.1-170.566.4000111.5L55 E56 E58 P332 Q336 R337 C338L55-I334 WeakPolarHBondContact O-CG1 3.31Å; E56-I334 HydrophobicContact CG-CG2 4.23Å; E58-I334 HydrophobicContact CG-CD1 4.39Å; P332-I334 HydrophobicContact CB-CG2 4.24Å; P332-I334 PolarHBondContact O-N 3.04Å; P332-I334 VanDerWaalsContact O-N 3.11Å; I334-Q336 VanDerWaalsContact C-N 3.31Å; I334-Q336 PolarHBondContact O-N 3.11Å; I334-R337 PolarHBondContact O-N 3.34Å; I334-C338 PolarHBondContact O-N 2.93Å; I334-C338 PolarHBondContact O-SG 3.17Å
335W93.2Very high95.7Very high0 Ų041.9 Ų41.90%021%0.206CC..Hα-helixtrans-62.7-40.3175.4-65.17.3000111.3L29 L52 L55 L297 E298 M301 P332 R337 C338 C339L29-W335 HydrophobicContact CD2-CB 3.77Å; L29-W335 HydrophobicContact CD2-CE3 4.35Å; L29-W335 HydrophobicContact CG-CB 4.34Å; L52-W335 HydrophobicContact CB-CZ2 4.09Å; L52-W335 HydrophobicContact CD1-CH2 4.1Å; L52-W335 HydrophobicContact CD1-CZ2 4.32Å; L52-W335 HydrophobicContact CD2-CH2 3.78Å; L52-W335 HydrophobicContact CD2-CZ2 3.8Å; L52-W335 HydrophobicContact CD2-CZ3 4.39Å; L52-W335 HydrophobicContact CG-CH2 4.4Å; L52-W335 HydrophobicContact CG-CZ2 4.29Å; L55-W335 HydrophobicContact CD1-CG 4.32Å; L297-W335 HydrophobicContact CD2-CZ3 4.5Å; E298-W335 HydrophobicContact CB-CH2 3.8Å; E298-W335 HydrophobicContact CB-CZ2 4.49Å; E298-W335 HydrophobicContact CB-CZ3 4.38Å; E298-W335 HydrophobicContact CG-CH2 3.74Å; E298-W335 HydrophobicContact CG-CZ2 4.19Å; E298-W335 HydrophobicContact CG-CZ3 4.11Å; M301-W335 HydrophobicContact CB-CH2 4.43Å; M301-W335 HydrophobicContact CB-CZ3 4.05Å; M301-W335 HydrophobicContact CG-CZ3 3.98Å; P332-W335 HydrophobicContact CB-CB 4.33Å; P332-W335 HydrophobicContact CB-CD2 4.22Å; P332-W335 HydrophobicContact CB-CG 3.91Å; P332-W335 HydrophobicContact CG-CD2 3.94Å; P332-W335 HydrophobicContact CG-CE3 4.29Å; P332-W335 HydrophobicContact CG-CG 4.18Å; P332-W335 WeakPolarHBondContact O-CB 3.02Å; P332-W335 PolarHBondContact O-N 2.99Å; W335-R337 PolarHBondContact O-N 3.47Å; W335-C338 PolarHBondContact O-N 3.21Å; W335-C339 PolarHBondContact O-N 2.81Å; W335-C339 PolarHBondContact O-SG 3.3Å
336Q93.5Very high95.7Very high46 Ų4642.1 Ų42.122%0.21521%0.208CC..Hα-helixtrans-59.7-44.4174.7-165.3-174.92800112.1V25 P332 Q333 I334 C338 C339 A342 D346V25-Q336 HydrophobicContact CG1-CG 4.1Å; P332-Q336 PolarHBondContact O-N 3.15Å; Q333-Q336 PolarHBondContact O-N 2.77Å; I334-Q336 VanDerWaalsContact C-N 3.31Å; I334-Q336 PolarHBondContact O-N 3.11Å; Q336-C338 VanDerWaalsContact C-N 3.27Å; Q336-C338 PolarHBondContact O-N 3.31Å; Q336-C339 PolarHBondContact O-N 3.38Å; Q336-A342 HydrophobicContact CG-CB 3.77Å; Q336-A342 WeakPolarHBondContact O-CB 3.45Å; Q336-D346 PolarHBondContact NE2-OD2 2.78Å
337R92.1Very high95.8Very high156 Ų15644 Ų4459%0.58922%0.22SC*.Hα-helixtrans-67.4-26.7179.3-72-176.6-68.7169.84113.2E58 Q333 I334 W335E58-R337 IonicContact OE1-NH2 3.5Å; Q333-R337 WeakPolarHBondContact O-CG 3.28Å; Q333-R337 PolarHBondContact O-N 3.4Å; Q333-R337 VanDerWaalsContact O-N 3.08Å; I334-R337 PolarHBondContact O-N 3.34Å; W335-R337 PolarHBondContact O-N 3.47Å
338C92.6Very high95.8Very high24 Ų2445 Ų4516%0.16223%0.225CC..Hα-helixtrans-85.7-9.2-179.7-67.30000113.9I64 L65 I334 W335 Q336I64-C338 CarbonylContact C-O 3.56Å; I64-C338 WeakPolarHBondContact CA-O 3.4Å; L65-C338 WeakPolarHBondContact CB-O 3.36Å; L65-C338 PolarHBondContact N-O 2.88Å; I334-C338 PolarHBondContact O-N 2.93Å; I334-C338 PolarHBondContact O-SG 3.17Å; W335-C338 PolarHBondContact O-N 3.21Å; Q336-C338 VanDerWaalsContact C-N 3.27Å; Q336-C338 PolarHBondContact O-N 3.31Å
339C95.9Very high95.8Very high8 Ų844.1 Ų44.15%0.05422%0.221CC..BIsolated β-bridgetrans-107.3125.3-174.9-63.50000111.6L29 C32 W335 Q336 G341 A342L29-C339 HydrophobicContact CD1-CB 3.97Å; C32-C339 HydrophobicContact CB-CB 3.87Å; C32-C339 VanDerWaalsContact CB-SG 3.55Å; W335-C339 PolarHBondContact O-N 2.81Å; W335-C339 PolarHBondContact O-SG 3.3Å; Q336-C339 PolarHBondContact O-N 3.38Å; C339-G341 PolarHBondContact O-N 3.43Å; C339-A342 HydrophobicContact CB-CB 4.09Å; C339-A342 WeakPolarHBondContact O-CB 3.43Å; C339-A342 PolarHBondContact O-N 3.09Å
340E97.1Very high95.9Very high53 Ų5343.9 Ų43.925%0.24822%0.217CC..THydrogen-bonded Turntrans-57.1134.7172-170.9-170.5177.900110.1V28 I64 L65 Q66 Y67 R106 A342V28-E340 VanDerWaalsContact CG1-O 3.27Å; V28-E340 WeakPolarHBondContact CG1-O 3.42Å; I64-E340 HydrophobicContact CG2-CB 3.81Å; L65-E340 WeakPolarHBondContact O-CB 3.48Å; L65-E340 PolarHBondContact O-N 3.07Å; Q66-E340 WeakPolarHBondContact CA-OE2 3.2Å; Y67-E340 HydrophobicContact CD1-CB 3.77Å; Y67-E340 VanDerWaalsContact CD1-CD 3.47Å; Y67-E340 HydrophobicContact CD1-CG 3.54Å; Y67-E340 WeakPolarHBondContact CD1-O 3.32Å; Y67-E340 HydrophobicContact CE1-CB 4.38Å; Y67-E340 HydrophobicContact CE1-CG 3.63Å; Y67-E340 VanDerWaalsContact CE1-OE1 3.32Å; Y67-E340 WeakPolarHBondContact CE1-OE1 3.24Å; Y67-E340 PolarHBondContact N-OE2 2.91Å; R106-E340 IonicContact CZ-OE1 3.59Å; R106-E340 IonicContact CZ-OE2 2.77Å; R106-E340 IonicContact NH1-OE1 3.21Å; R106-E340 IonicContact NH1-OE2 3.97Å; R106-E340 PolarHBondContact NH1-OE2 3.18Å; R106-E340 VanDerWaalsContact NH2-CD 3.35Å; R106-E340 IonicContact NH2-OE1 2.57Å; R106-E340 PolarHBondContact NH2-OE1 3.47Å; R106-E340 IonicContact NH2-OE2 3.17Å; R106-E340 PolarHBondContact NH2-OE2 3.17Å; E340-A342 VanDerWaalsContact C-N 3.25Å; E340-A342 PolarHBondContact O-N 3.37Å
341G97.3Very high96Very high17 Ų1749.3 Ų49.318%0.17523%0.234CC..THydrogen-bonded Turntrans78.1-0.9175.300000115.5C339 E343 D344 A345C339-G341 PolarHBondContact O-N 3.43Å; G341-E343 PolarHBondContact O-N 2.63Å; G341-D344 WeakPolarHBondContact O-CB 3.38Å; G341-D344 PolarHBondContact O-N 2.81Å; G341-A345 WeakPolarHBondContact O-CB 3.43Å; G341-A345 PolarHBondContact O-N 3.08Å
342A97.8Very high96.2Very high0 Ų049 Ų490%023%0.232CC..Hα-helixtrans-65.5-36.5177.600000113V28 L29 Q336 C339 E340 A345 D346V28-A342 HydrophobicContact CG1-CB 4.4Å; L29-A342 HydrophobicContact CD1-CB 4.01Å; Q336-A342 HydrophobicContact CG-CB 3.77Å; Q336-A342 WeakPolarHBondContact O-CB 3.45Å; C339-A342 HydrophobicContact CB-CB 4.09Å; C339-A342 WeakPolarHBondContact O-CB 3.43Å; C339-A342 PolarHBondContact O-N 3.09Å; E340-A342 VanDerWaalsContact C-N 3.25Å; E340-A342 PolarHBondContact O-N 3.37Å; A342-A345 PolarHBondContact O-N 3.36Å; A342-D346 WeakPolarHBondContact O-CB 3.24Å; A342-D346 PolarHBondContact O-N 3.04Å
343E97.6Very high96.4Very high148 Ų14850.5 Ų50.569%0.69224%0.239SC*.Hα-helixtrans-67.1-42.8172.9-176.1176.7-166.400111.7G341 A345 D346 I347G341-E343 PolarHBondContact O-N 2.63Å; E343-A345 VanDerWaalsContact C-N 3.32Å; E343-A345 PolarHBondContact O-N 3.21Å; E343-D346 WeakPolarHBondContact O-CB 3.38Å; E343-D346 PolarHBondContact O-N 3.46Å; E343-D346 VanDerWaalsContact O-N 3.17Å; E343-I347 HydrophobicContact CG-CD1 4.13Å; E343-I347 WeakPolarHBondContact O-CG1 3.38Å; E343-I347 PolarHBondContact O-N 2.79Å
344D98.1Very high96.7Very high63 Ų6347.8 Ų47.834%0.33723%0.231SC..Hα-helixtrans-60.3-42174.6-88.30.6000111.5R75 G341 D346 N348R75-D344 IonicContact CZ-OD2 2.82Å; R75-D344 IonicContact NE-OD2 3.31Å; R75-D344 IonicContact NH2-OD2 3.67Å; R75-D344 PolarHBondContact NH2-OD2 3.33Å; G341-D344 WeakPolarHBondContact O-CB 3.38Å; G341-D344 PolarHBondContact O-N 2.81Å; D344-D346 VanDerWaalsContact C-N 3.32Å; D344-N348 WeakPolarHBondContact O-CB 3.27Å; D344-N348 PolarHBondContact O-N 3.22Å; D344-N348 PolarHBondContact O-ND2 3.09Å
345A98.8Very high97Very high7 Ų747.3 Ų47.36%0.05823%0.228CC..Hα-helixtrans-61.6-4317500000111.2L24 V25 V28 G341 A342 E343 N348 A349L24-A345 HydrophobicContact CB-CB 4.49Å; L24-A345 HydrophobicContact CD2-CB 4.43Å; L24-A345 WeakPolarHBondContact CD2-O 3.27Å; L24-A345 HydrophobicContact CG-CB 3.97Å; V25-A345 HydrophobicContact CG2-CB 4.17Å; V28-A345 HydrophobicContact CG2-CB 3.72Å; G341-A345 WeakPolarHBondContact O-CB 3.43Å; G341-A345 PolarHBondContact O-N 3.08Å; A342-A345 PolarHBondContact O-N 3.36Å; E343-A345 VanDerWaalsContact C-N 3.32Å; E343-A345 PolarHBondContact O-N 3.21Å; A345-N348 PolarHBondContact O-N 3.26Å; A345-A349 WeakPolarHBondContact O-CB 3.36Å; A345-A349 PolarHBondContact O-N 2.8Å
346D98.6Very high97.2Very high20 Ų2048.2 Ų48.211%0.10723%0.232CC..Hα-helixtrans-60.3-51.6179.2-160.618.1000112.2R21 V25 Q336 A342 E343 D344 N348 A349 E350R21-D346 WeakPolarHBondContact CG-OD1 3.47Å; R21-D346 IonicContact CZ-OD1 3.44Å; R21-D346 VanDerWaalsContact CZ-OD1 3.27Å; R21-D346 IonicContact CZ-OD2 3.27Å; R21-D346 IonicContact NE-OD1 2.71Å; R21-D346 PolarHBondContact NE-OD1 3.12Å; R21-D346 IonicContact NE-OD2 3.09Å; R21-D346 VanDerWaalsContact NH2-CG 3.28Å; R21-D346 IonicContact NH2-OD1 3.65Å; R21-D346 PolarHBondContact NH2-OD1 2.73Å; R21-D346 VanDerWaalsContact NH2-OD1 3.09Å; R21-D346 IonicContact NH2-OD2 3.44Å; R21-D346 PolarHBondContact NH2-OD2 3.42Å; V25-D346 HydrophobicContact CG2-CB 3.8Å; Q336-D346 PolarHBondContact NE2-OD2 2.78Å; A342-D346 WeakPolarHBondContact O-CB 3.24Å; A342-D346 PolarHBondContact O-N 3.04Å; E343-D346 WeakPolarHBondContact O-CB 3.38Å; E343-D346 PolarHBondContact O-N 3.46Å; E343-D346 VanDerWaalsContact O-N 3.17Å; D344-D346 VanDerWaalsContact C-N 3.32Å; D346-N348 VanDerWaalsContact C-N 3.35Å; D346-N348 PolarHBondContact O-N 3.27Å; D346-A349 WeakPolarHBondContact O-CB 3.35Å; D346-A349 PolarHBondContact O-N 3.23Å; D346-E350 PolarHBondContact O-N 3.34Å
347I98.6Very high97.2Very high81 Ų8151.3 Ų51.342%0.41525%0.246SC..Hα-helixtrans-60.5-44.3177.7-67.1166.3000111E343 A349 E350 R351E343-I347 HydrophobicContact CG-CD1 4.13Å; E343-I347 WeakPolarHBondContact O-CG1 3.38Å; E343-I347 PolarHBondContact O-N 2.79Å; I347-A349 VanDerWaalsContact C-N 3.33Å; I347-A349 PolarHBondContact O-N 3.2Å; I347-E350 PolarHBondContact O-N 3Å; I347-R351 WeakPolarHBondContact O-CG 3.14Å; I347-R351 PolarHBondContact O-N 3.5Å
348N98.7Very high97Very high21 Ų2150.5 Ų50.511%0.11225%0.249CC..Hα-helixtrans-74.2-25.6-177.9-71.2-62.1000112.9L24 V78 L82 D344 A345 D346 E350 R351 L352L24-N348 HydrophobicContact CD2-CB 4.39Å; V78-N348 HydrophobicContact CG1-CB 3.55Å; L82-N348 HydrophobicContact CD1-CB 4.26Å; D344-N348 WeakPolarHBondContact O-CB 3.27Å; D344-N348 PolarHBondContact O-N 3.22Å; D344-N348 PolarHBondContact O-ND2 3.09Å; A345-N348 PolarHBondContact O-N 3.26Å; D346-N348 VanDerWaalsContact C-N 3.35Å; D346-N348 PolarHBondContact O-N 3.27Å; N348-E350 VanDerWaalsContact C-N 3.35Å; N348-R351 PolarHBondContact O-N 3.01Å; N348-R351 PolarHBondContact OD1-NH1 3.04Å; N348-R351 VanDerWaalsContact OD1-NH1 3.12Å; N348-L352 WeakPolarHBondContact O-CG 3.24Å; N348-L352 PolarHBondContact O-N 3.33Å
349A98.8Very high95.7Very high0 Ų051.5 Ų51.50%026%0.259CS..Hα-helixtrans-64-39.7171.700000111.9F20 R21 L24 A345 D346 I347 R351 L352 H353F20-A349 HydrophobicContact CB-CB 4.45Å; R21-A349 HydrophobicContact CB-CB 4.39Å; R21-A349 HydrophobicContact CG-CB 4.08Å; L24-A349 HydrophobicContact CB-CB 4.1Å; L24-A349 HydrophobicContact CD2-CB 4.23Å; A345-A349 WeakPolarHBondContact O-CB 3.36Å; A345-A349 PolarHBondContact O-N 2.8Å; D346-A349 WeakPolarHBondContact O-CB 3.35Å; D346-A349 PolarHBondContact O-N 3.23Å; I347-A349 VanDerWaalsContact C-N 3.33Å; I347-A349 PolarHBondContact O-N 3.2Å; A349-R351 VanDerWaalsContact C-N 3.3Å; A349-R351 PolarHBondContact O-N 3.14Å; A349-L352 PolarHBondContact O-N 3.25Å; A349-H353 WeakPolarHBondContact O-CB 3.39Å; A349-H353 PolarHBondContact O-N 3.05Å
350E98.4Very high93.5Very high84 Ų8456.6 Ų56.639%0.39329%0.292SS..Hα-helixtrans-60.3-40.1172.4-68.6-178.2178.100112.2L17 R21 D346 I347 N348 H353 T354L17-E350 HydrophobicContact CD1-CB 4.19Å; L17-E350 HydrophobicContact CD1-CG 3.79Å; L17-E350 HydrophobicContact CD2-CG 4.37Å; R21-E350 HydrophobicContact CG-CG 4.26Å; R21-E350 IonicContact NE-OE1 2.76Å; D346-E350 PolarHBondContact O-N 3.34Å; I347-E350 PolarHBondContact O-N 3Å; N348-E350 VanDerWaalsContact C-N 3.35Å; E350-H353 PolarHBondContact O-N 3.38Å; E350-T354 PolarHBondContact O-N 3.44Å; E350-T354 PolarHBondContact O-OG1 3.25Å
351R98.6Very high91.1Very high129 Ų12958.7 Ų58.749%0.48732%0.319SS..Hα-helixtrans-68.9-39.9177.5-63.1173.768.7-166.14.9111.9L82 I347 N348 A349 T354 L355L82-R351 HydrophobicContact CD1-CB 3.8Å; L82-R351 HydrophobicContact CD2-CB 3.7Å; L82-R351 HydrophobicContact CG-CB 4.43Å; I347-R351 WeakPolarHBondContact O-CG 3.14Å; I347-R351 PolarHBondContact O-N 3.5Å; N348-R351 PolarHBondContact O-N 3.01Å; N348-R351 PolarHBondContact OD1-NH1 3.04Å; N348-R351 VanDerWaalsContact OD1-NH1 3.12Å; A349-R351 VanDerWaalsContact C-N 3.3Å; A349-R351 PolarHBondContact O-N 3.14Å; R351-T354 WeakPolarHBondContact O-CB 3.01Å; R351-T354 PolarHBondContact O-N 2.99Å; R351-L355 PolarHBondContact O-N 3.28Å
352L98.6Very high88.5Confident0 Ų067.2 Ų67.20%035%0.354CS..Hα-helixtrans-65.7-40.9174.6-74.5170.3000111.4F20 L24 V78 L81 L82 L154 A155 N348 A349 T354 L355 Y356F20-L352 HydrophobicContact CD1-CB 4.31Å; L24-L352 HydrophobicContact CD2-CD1 4.14Å; V78-L352 HydrophobicContact CG1-CD1 4.07Å; V78-L352 HydrophobicContact CG1-CG 4.4Å; V78-L352 HydrophobicContact CG2-CD1 4.11Å; L81-L352 HydrophobicContact CB-CD2 4.46Å; L82-L352 HydrophobicContact CD2-CD2 3.85Å; L82-L352 HydrophobicContact CD2-CG 4.12Å; L82-L352 HydrophobicContact CG-CD2 4.05Å; L82-L352 HydrophobicContact CG-CG 4.39Å; L154-L352 HydrophobicContact CB-CB 4.3Å; L154-L352 HydrophobicContact CB-CD1 4.07Å; L154-L352 HydrophobicContact CD1-CD1 4.15Å; A155-L352 HydrophobicContact CB-CD2 4.22Å; N348-L352 WeakPolarHBondContact O-CG 3.24Å; N348-L352 PolarHBondContact O-N 3.33Å; A349-L352 PolarHBondContact O-N 3.25Å; L352-T354 VanDerWaalsContact C-N 3.28Å; L352-T354 PolarHBondContact O-N 2.87Å; L352-L355 HydrophobicContact CD2-CD2 4.47Å; L352-L355 WeakPolarHBondContact O-CB 3.5Å; L352-L355 PolarHBondContact O-N 3.3Å; L352-L355 VanDerWaalsContact O-N 3.15Å; L352-Y356 WeakPolarHBondContact O-CB 3.36Å; L352-Y356 PolarHBondContact O-N 3.21Å
353H98.6Very high85.5Confident42 Ų4270.2 Ų70.219%0.19438%0.384CS..Hα-helixtrans-58.2-42.6173.3176.9-90.2000111.5L17 F20 A349 E350 Y356 H357L17-H353 HydrophobicContact CD1-CB 3.77Å; L17-H353 PolarHBondContact N-CD2 3.23Å; L17-H353 PolarHBondContact N-NE2 3.06Å; F20-H353 HydrophobicContact CB-CB 4.22Å; F20-H353 VanDerWaalsContact CD1-CA 3.43Å; F20-H353 HydrophobicContact CD1-CB 3.56Å; F20-H353 HydrophobicContact CD2-CB 4.45Å; F20-H353 AromaticContact CD2-CD2 3.82Å; F20-H353 HydrophobicContact CE1-CB 3.93Å; F20-H353 AromaticContact CE2-CD2 3.97Å; F20-H353 HydrophobicContact CG-CB 3.84Å; A349-H353 WeakPolarHBondContact O-CB 3.39Å; A349-H353 PolarHBondContact O-N 3.05Å; E350-H353 PolarHBondContact O-N 3.38Å; H353-Y356 PolarHBondContact O-N 3.02Å; H353-H357 AromaticContact CD2-CD2 3.82Å; H353-H357 AromaticContact CD2-NE2 3.77Å; H353-H357 AromaticContact CE1-CD2 3.57Å; H353-H357 AromaticContact CE1-NE2 3.89Å; H353-H357 AromaticContact ND1-CD2 3.94Å; H353-H357 AromaticContact NE2-CD2 3.53Å; H353-H357 AromaticContact NE2-NE2 3.39Å; H353-H357 PolarHBondContact NE2-NE2 3.46Å; H353-H357 PolarHBondContact O-CD2 3.18Å; H353-H357 VanDerWaalsContact O-CD2 3.26Å; H353-H357 PolarHBondContact O-N 2.96Å
354T97.8Very high82.8Confident70 Ų7070.6 Ų70.643%0.42939%0.391SS..Hα-helixtrans-61.4-46.7173.9-57.40000111.7E350 R351 L352 H357 Q358E350-T354 PolarHBondContact O-N 3.44Å; E350-T354 PolarHBondContact O-OG1 3.25Å; R351-T354 WeakPolarHBondContact O-CB 3.01Å; R351-T354 PolarHBondContact O-N 2.99Å; L352-T354 VanDerWaalsContact C-N 3.28Å; L352-T354 PolarHBondContact O-N 2.87Å; T354-H357 PolarHBondContact O-N 2.99Å; T354-Q358 HydrophobicContact CG2-CG 4.48Å; T354-Q358 VanDerWaalsContact CG2-NE2 3.29Å; T354-Q358 WeakPolarHBondContact O-CB 3.36Å; T354-Q358 WeakPolarHBondContact O-CG 3.47Å; T354-Q358 PolarHBondContact O-N 3.08Å; T354-Q358 VanDerWaalsContact O-N 3.17Å
355L96.9Very high79.9Confident24 Ų2473 Ų7313%0.12641%0.413CS..Hα-helixtrans-60.1-46.2176.817763.6000112L82 A85 A155 R351 L352 H357 Q358 A359L82-L355 HydrophobicContact CD2-CB 4.45Å; L82-L355 HydrophobicContact CD2-CD2 4.33Å; A85-L355 HydrophobicContact CB-CD1 4.02Å; A155-L355 HydrophobicContact CB-CD2 4.29Å; R351-L355 PolarHBondContact O-N 3.28Å; L352-L355 HydrophobicContact CD2-CD2 4.47Å; L352-L355 WeakPolarHBondContact O-CB 3.5Å; L352-L355 PolarHBondContact O-N 3.3Å; L352-L355 VanDerWaalsContact O-N 3.15Å; L355-H357 VanDerWaalsContact C-N 3.28Å; L355-H357 PolarHBondContact O-N 2.54Å; L355-Q358 PolarHBondContact O-N 3.25Å; L355-A359 PolarHBondContact O-N 3.15Å; L355-A359 VanDerWaalsContact O-N 3.1Å
356Y96.9Very high77.2Confident19 Ų1975.5 Ų75.58%0.07544%0.44CS..Hα-helixtrans-57-39.9-178.5-175.6-87.7000112.7A15 F20 L154 F156 S157 Q195 L352 H353A15-Y356 HydrophobicContact CB-CE1 3.94Å; F20-Y356 HydrophobicContact CE1-CD2 4.29Å; F20-Y356 HydrophobicContact CE1-CG 4.11Å; F20-Y356 AromaticContact CZ-CD1 3.9Å; F20-Y356 HydrophobicContact CZ-CD1 3.9Å; F20-Y356 AromaticContact CZ-CD2 3.76Å; F20-Y356 HydrophobicContact CZ-CD2 3.76Å; F20-Y356 HydrophobicContact CZ-CE1 4.43Å; F20-Y356 HydrophobicContact CZ-CE2 4.26Å; F20-Y356 AromaticContact CZ-CG 3.55Å; F20-Y356 HydrophobicContact CZ-CG 3.55Å; L154-Y356 WeakPolarHBondContact O-CD2 2.97Å; F156-Y356 VanDerWaalsContact O-CE2 3.3Å; F156-Y356 WeakPolarHBondContact O-CE2 3.46Å; S157-Y356 VanDerWaalsContact CA-CE2 3.42Å; S157-Y356 WeakPolarHBondContact CA-OH 3.48Å; S157-Y356 VanDerWaalsContact CB-CZ 3.45Å; S157-Y356 WeakPolarHBondContact CB-OH 3.4Å; Q195-Y356 PolarHBondContact NE2-OH 3.2Å; L352-Y356 WeakPolarHBondContact O-CB 3.36Å; L352-Y356 PolarHBondContact O-N 3.21Å; H353-Y356 PolarHBondContact O-N 3.02Å
357H94.3Very high74.1Confident112 Ų11280.5 Ų80.552%0.51947%0.471SS..Hα-helixtrans-87.6-8.9179-70.9-62.4000114.2H353 T354 L355H353-H357 AromaticContact CD2-CD2 3.82Å; H353-H357 AromaticContact CD2-NE2 3.77Å; H353-H357 AromaticContact CE1-CD2 3.57Å; H353-H357 AromaticContact CE1-NE2 3.89Å; H353-H357 AromaticContact ND1-CD2 3.94Å; H353-H357 AromaticContact NE2-CD2 3.53Å; H353-H357 AromaticContact NE2-NE2 3.39Å; H353-H357 PolarHBondContact NE2-NE2 3.46Å; H353-H357 PolarHBondContact O-CD2 3.18Å; H353-H357 VanDerWaalsContact O-CD2 3.26Å; H353-H357 PolarHBondContact O-N 2.96Å; T354-H357 PolarHBondContact O-N 2.99Å; L355-H357 VanDerWaalsContact C-N 3.28Å; L355-H357 PolarHBondContact O-N 2.54Å
358Q86.8Confident71.2Confident138 Ų13883.9 Ų83.965%0.64549%0.49SS*.Hα-helixtrans-92.6-19.7174.3-76.4175.7-3.800113.1T354 L355T354-Q358 HydrophobicContact CG2-CG 4.48Å; T354-Q358 VanDerWaalsContact CG2-NE2 3.29Å; T354-Q358 WeakPolarHBondContact O-CB 3.36Å; T354-Q358 WeakPolarHBondContact O-CG 3.47Å; T354-Q358 PolarHBondContact O-N 3.08Å; T354-Q358 VanDerWaalsContact O-N 3.17Å; L355-Q358 PolarHBondContact O-N 3.25Å
359A65.8Low68.1Low45 Ų4588.3 Ų88.337%0.37252%0.523SS..SBendtrans-56.8123.8173.600000109L355 A361L355-A359 PolarHBondContact O-N 3.15Å; L355-A359 VanDerWaalsContact O-N 3.1Å; A359-A361 PolarHBondContact O-N 3.14Å; A359-A361 VanDerWaalsContact O-N 3.11Å
360P50.2Low65Low116 Ų11695.8 Ų95.875%0.75356%0.557SS**  trans-57.4124.6179.34.2-3.8000108.4E362P360-E362 PolarHBondContact O-N 3.32Å
361A45.3Very low62Low97 Ų9797.3 Ų97.380%0.80258%0.575SS**  trans-55.6114.8155.400000104.9A359 G363A359-A361 PolarHBondContact O-N 3.14Å; A359-A361 VanDerWaalsContact O-N 3.11Å; A361-G363 VanDerWaalsContact C-N 3.27Å; A361-G363 PolarHBondContact O-N 3.2Å
362E42.4Very low59Low196 Ų196100.2 Ų100.292%0.91659%0.593SS**  trans-56.6100.6172.9-76.3-172.1157.100107.4P360 D364P360-E362 PolarHBondContact O-N 3.32Å; E362-D364 PolarHBondContact O-N 3.24Å
363G36.5Very low56Low62 Ų62106.5 Ų106.564%0.63963%0.632SS**  trans-70.9115166.800000106.9A361 S365A361-G363 VanDerWaalsContact C-N 3.27Å; A361-G363 PolarHBondContact O-N 3.2Å; G363-S365 PolarHBondContact O-N 3.18Å
364D40.8Very low53.1Low157 Ų157109.3 Ų109.384%0.8466%0.662SS**  trans8.983.8134.3-167.115.7000114E362 G366E362-D364 PolarHBondContact O-N 3.24Å; D364-G366 VanDerWaalsContact C-N 3.28Å; D364-G366 PolarHBondContact OD1-N 3.34Å
365S37.5Very low50.3Low113 Ų113110.5 Ų110.579%0.7968%0.68SS**  trans-98.461.6161.571.20000108.5G363 T367G363-S365 PolarHBondContact O-N 3.18Å; S365-T367 VanDerWaalsContact C-N 3.3Å; S365-T367 PolarHBondContact O-N 3.35Å; S365-T367 VanDerWaalsContact O-N 3.09Å
366G41.2Very low47.7Very low60 Ų60118.4 Ų118.462%0.61972%0.715SS**  trans-63.994.115100000109.4D364D364-G366 VanDerWaalsContact C-N 3.28Å; D364-G366 PolarHBondContact OD1-N 3.34Å
367T33.7Very low45.2Very low124 Ų124124.9 Ų124.976%0.76175%0.751SS**  trans-137.6100.514951.80000108.7S365 S369S365-T367 VanDerWaalsContact C-N 3.3Å; S365-T367 PolarHBondContact O-N 3.35Å; S365-T367 VanDerWaalsContact O-N 3.09Å; T367-S369 PolarHBondContact O-N 3.27Å
368D37.1Very low43.1Very low153 Ų153124.7 Ų124.782%0.81876%0.76SS**  trans-39.5112.8158.2-121.5-17.7000110.3
369S34.4Very low41.6Very low114 Ų114124.3 Ų124.380%0.79777%0.77SS**  trans-106.788.1158.563.20000107.6T367T367-S369 PolarHBondContact O-N 3.27Å
370Q33.6Very low40.9Very low156 Ų156129.5 Ų129.573%0.72979%0.791SS**PPolyproline II helixtrans-56.1137.9165.6-74.1-172-1500109.7H372Q370-H372 PolarHBondContact O-N 2.68Å
371P35.6Very low40.7Very low117 Ų117136.3 Ų136.376%0.7681%0.813SS**PPolyproline II helixtrans-72.6117.3170.328.1-29.3000109.1T373P371-T373 PolarHBondContact O-N 3.4Å
372H35.3Very low40.4Very low189 Ų189138.3 Ų138.388%0.87581%0.813SS**PPolyproline II helixtrans-55.8119.6166.8-85.9-71.3000109.8Q370 A374Q370-H372 PolarHBondContact O-N 2.68Å; H372-A374 PolarHBondContact O-N 3.18Å
373T36.3Very low40.3Very low132 Ų132135.2 Ų135.281%0.8181%0.808SS**PPolyproline II helixtrans-62.4121.5168.238.80000109.6P371 A375P371-T373 PolarHBondContact O-N 3.4Å; T373-A375 PolarHBondContact O-N 3.24Å
374A36.9Very low40.5Very low101 Ų101139.3 Ų139.384%0.83582%0.817SS**  trans-67.8114169.900000109.1H372H372-A374 PolarHBondContact O-N 3.18Å
375A38.6Very low40.5Very low96 Ų96138.2 Ų138.279%0.79382%0.816SS**PPolyproline II helixtrans-73.3133.2170.500000109.9T373T373-A375 PolarHBondContact O-N 3.24Å
376H41.9Very low40.7Very low189 Ų189139.8 Ų139.888%0.87582%0.817SS**PPolyproline II helixtrans-60.4128.6168.5-87.3-76.9000111.4
377D44.7Very low40.7Very low156 Ų156145.1 Ų145.183%0.83483%0.831SS**PPolyproline II helixtrans-94.4138.7155.2-88.8-30.3000110
378P50.2Low41.2Very low108 Ų108146.6 Ų146.670%0.70184%0.836SS**PPolyproline II helixtrans-84.7157175.135.1-31.8000111.3
379P55.1Low41.5Very low130 Ų130146.2 Ų146.284%0.84484%0.837SS**PPolyproline II helixtrans-78137.9177.432.1-31.1000110.3
380N51.6Low42.1Very low153 Ų153148.8 Ų148.882%0.81884%0.84SS**  trans-129118.7167.6-128.1-2.5000109.8
381Q45.1Very low42.8Very low259 Ų259148.2 Ų148.2100%1.2185%0.851SS**  trans74.60165.3-61.8-174.92000119.4

Retrieved 381 of 381 residues in 367.5 ms (Link to these results)

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