A0A023JCR5_MACFA Loading...

Glutathione S-transferase

Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. Involved in the formation of glutathione conjugates of both prostaglandin A2 (PGA2) and prostaglandin J2 (PGJ2). Participates in the formation of novel hepoxilin regioisomers. Negatively regulates CDK5 activity via p25/p35 translocation to prevent neurodegeneration.

AlphaFold DB (Q28514), UniProt , Accession A0A023JCR5, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene GSTP1, Length 210 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
1M55.7Low91.2Very high229 Ų22946.5 Ų46.5100%1.12825%0.252SS*.  0140.30-82.8-179.4-89.900107.4
2P71.4Confident91.8Very high54 Ų5446.8 Ų46.835%0.35125%0.247SC..  trans-54.1137.9170.7-20.331.9000109.2Y4P2-Y4 PolarHBondContact O-N 3.04Å
3P87.7Confident92.3Very high62 Ų6244.2 Ų44.240%0.40324%0.237SC..SBendtrans-66.9-24178.527.4-33.4000111.7G59P3-G59 PolarHBondContact O-N 3.05Å; P3-G59 VanDerWaalsContact O-N 3.1Å
4Y98.4Very high92.8Very high16 Ų1645.4 Ų45.46%0.06324%0.237CC..EExtended strand (participates in β ladder)trans-105.5138.1-174.1-55.3-54.1000113.2P2 L22 Q27 W29 K30 F56 Q57 D58 L73P2-Y4 PolarHBondContact O-N 3.04Å; Y4-L22 HydrophobicContact CD2-CD2 3.59Å; Y4-L22 HydrophobicContact CE2-CD2 3.85Å; Y4-L22 HydrophobicContact CG-CD2 4.25Å; Y4-Q27 HydrophobicContact CD2-CB 4.27Å; Y4-Q27 HydrophobicContact CE2-CB 4.07Å; Y4-Q27 HydrophobicContact CE2-CG 4.15Å; Y4-W29 CarbonylContact O-C 3.37Å; Y4-W29 WeakPolarHBondContact O-CA 3.41Å; Y4-W29 WeakPolarHBondContact O-CB 3.11Å; Y4-K30 PolarHBondContact O-N 3.5Å; Y4-F56 AromaticContact CD1-CE1 3.87Å; Y4-F56 HydrophobicContact CD1-CE1 3.87Å; Y4-F56 HydrophobicContact CD1-CE2 4.26Å; Y4-F56 AromaticContact CD1-CZ 3.33Å; Y4-F56 HydrophobicContact CD1-CZ 3.33Å; Y4-F56 HydrophobicContact CE1-CE1 4.39Å; Y4-F56 HydrophobicContact CE1-CZ 4.08Å; Y4-F56 HydrophobicContact CG-CE2 4.3Å; Y4-F56 AromaticContact CG-CZ 3.74Å; Y4-F56 HydrophobicContact CG-CZ 3.74Å; Y4-Q57 CarbonylContact C-O 3.59Å; Y4-Q57 VanDerWaalsContact CA-O 3.23Å; Y4-Q57 WeakPolarHBondContact CA-O 3.4Å; Y4-D58 HydrophobicContact CD1-CB 3.96Å; Y4-D58 HydrophobicContact CE1-CB 3.93Å; Y4-D58 WeakPolarHBondContact CE1-OD1 3.3Å; Y4-L73 HydrophobicContact CD1-CD2 4.47Å; Y4-L73 HydrophobicContact CE1-CD2 3.8Å; Y4-L73 HydrophobicContact CE2-CD2 4.48Å
5T98.5Very high93.2Very high18 Ų1842.4 Ų42.411%0.1122%0.221CC..EExtended strand (participates in β ladder)trans-126.9127.9168.8-56.80000110.1V7 K30 E32 F56 Q57T5-V7 HydrophobicContact CG2-CG2 4.08Å; T5-K30 CarbonylContact C-O 3.59Å; T5-K30 WeakPolarHBondContact CA-O 3.22Å; T5-K30 HydrophobicContact CG2-CB 4.34Å; T5-K30 HydrophobicContact CG2-CD 4.35Å; T5-E32 HydrophobicContact CG2-CB 4.33Å; T5-E32 HydrophobicContact CG2-CG 3.71Å; T5-F56 WeakPolarHBondContact O-CA 3.4Å; T5-F56 WeakPolarHBondContact O-CD2 3.37Å; T5-Q57 PolarHBondContact N-O 3.23Å; T5-Q57 PolarHBondContact O-N 3.07Å
6V98.7Very high93.5Very high1 Ų139.9 Ų39.91%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-104.1115.3173.7179.60000108.3C15 L18 L22 W29 K30 E32 F56V6-C15 HydrophobicContact CG1-CB 4.37Å; V6-L18 HydrophobicContact CG2-CD2 3.97Å; V6-L22 HydrophobicContact CG2-CD1 4.49Å; V6-W29 HydrophobicContact CG2-CG 4.35Å; V6-K30 PolarHBondContact N-O 3.41Å; V6-E32 PolarHBondContact O-N 3.11Å; V6-F56 HydrophobicContact CG2-CD2 4.01Å; V6-F56 HydrophobicContact CG2-CE2 4.11Å
7V98.7Very high93.8Very high4 Ų437.7 Ų37.72%0.02420%0.198CC..EExtended strand (participates in β ladder)trans-105.3110176.9-172.30000108.4T5 E32 V34 L53 K55T5-V7 HydrophobicContact CG2-CG2 4.08Å; V7-E32 WeakPolarHBondContact CA-O 3.27Å; V7-E32 HydrophobicContact CB-CB 4.37Å; V7-E32 HydrophobicContact CG1-CB 4.3Å; V7-E32 HydrophobicContact CG2-CB 4.03Å; V7-V34 HydrophobicContact CG1-CG2 3.6Å; V7-L53 HydrophobicContact CG1-CD2 4.19Å; V7-K55 HydrophobicContact CB-CB 3.99Å; V7-K55 HydrophobicContact CB-CD 4.45Å; V7-K55 HydrophobicContact CB-CG 4.31Å; V7-K55 HydrophobicContact CG2-CB 4.37Å; V7-K55 HydrophobicContact CG2-CD 4.13Å; V7-K55 HydrophobicContact CG2-CG 4.15Å; V7-K55 PolarHBondContact N-O 2.89Å; V7-K55 PolarHBondContact O-N 3.44Å; V7-K55 VanDerWaalsContact O-N 3.07Å
8Y98.8Very high94.1Very high22 Ų2235.8 Ų35.89%0.08619%0.188CC..EExtended strand (participates in β ladder)trans-155.3169.1-175.2-158.7-135.9000113.6V11 R14 C15 E32 V34 L53 P54Y8-V11 HydrophobicContact CD1-CG2 4.24Å; Y8-V11 HydrophobicContact CE1-CG2 3.66Å; Y8-R14 PolarHBondContact OH-N 2.8Å; Y8-C15 HydrophobicContact CD1-CB 3.76Å; Y8-C15 VanDerWaalsContact CD1-SG 3.58Å; Y8-C15 HydrophobicContact CE1-CB 4.1Å; Y8-C15 HydrophobicContact CG-CB 4.38Å; Y8-E32 PolarHBondContact N-O 3.41Å; Y8-E32 VanDerWaalsContact N-O 3.16Å; Y8-V34 PolarHBondContact O-N 3.18Å; Y8-L53 HydrophobicContact CD2-CB 3.75Å; Y8-L53 HydrophobicContact CE2-CB 4.15Å; Y8-P54 HydrophobicContact CD2-CB 3.56Å; Y8-P54 HydrophobicContact CD2-CG 4.38Å; Y8-P54 HydrophobicContact CE2-CB 4Å; Y8-P54 HydrophobicContact CE2-CG 4.33Å; Y8-P54 HydrophobicContact CG-CB 4.12Å
9F98.6Very high94.3Very high37 Ų3734.6 Ų34.616%0.16218%0.181CC..  trans-65.8157.5169.9-57.2-56.8000111.2V11 V34 M36 W39 L53F9-V11 HydrophobicContact CB-CG2 4.28Å; F9-V11 PolarHBondContact O-N 2.94Å; F9-V34 HydrophobicContact CD1-CB 4.4Å; F9-V34 HydrophobicContact CD1-CG1 4.46Å; F9-V34 WeakPolarHBondContact CD1-O 3.24Å; F9-V34 HydrophobicContact CE1-CG1 4.28Å; F9-M36 HydrophobicContact CB-CE 4.34Å; F9-M36 HydrophobicContact CD1-CE 3.11Å; F9-M36 HydrophobicContact CD2-CE 4.4Å; F9-M36 HydrophobicContact CE1-CE 3.33Å; F9-M36 HydrophobicContact CG-CE 3.71Å; F9-M36 HydrophobicContact CZ-CE 4.07Å; F9-W39 HydrophobicContact CE1-CB 3.88Å; F9-W39 AromaticContact CE1-CD2 3.86Å; F9-W39 HydrophobicContact CE1-CD2 3.86Å; F9-W39 HydrophobicContact CE1-CE3 4.31Å; F9-W39 AromaticContact CE1-CG 3.65Å; F9-W39 HydrophobicContact CE1-CG 3.65Å; F9-W39 AromaticContact CZ-CD1 3.93Å; F9-W39 AromaticContact CZ-CD2 3.73Å; F9-W39 HydrophobicContact CZ-CD2 3.73Å; F9-W39 AromaticContact CZ-CE2 3.77Å; F9-W39 HydrophobicContact CZ-CE3 4.27Å; F9-W39 AromaticContact CZ-CG 3.85Å; F9-W39 HydrophobicContact CZ-CG 3.85Å; F9-W39 HydrophobicContact CZ-CZ2 4.32Å; F9-W39 AromaticContact CZ-NE1 3.88Å; F9-L53 HydrophobicContact CD1-CD1 4.23Å; F9-L53 HydrophobicContact CE1-CD1 3.89Å; F9-L53 HydrophobicContact CE2-CB 4.16Å; F9-L53 HydrophobicContact CE2-CD1 4.3Å; F9-L53 HydrophobicContact CZ-CB 4.45Å; F9-L53 HydrophobicContact CZ-CD1 3.93Å; F9-L53 HydrophobicContact CZ-CG 4.43Å
10P98.1Very high94.6Very high57 Ų5732.9 Ų32.937%0.3717%0.172SC..SBendtrans-74.459.1179.132.1-37.3000112.4V33 V34 L202P10-V33 HydrophobicContact CB-CG1 3.82Å; P10-V33 HydrophobicContact CG-CG1 4.26Å; P10-V34 WeakPolarHBondContact CD-O 3.36Å; P10-L202 HydrophobicContact CB-CD2 4.45Å
11V98.4Very high94.8Very high11 Ų1131.3 Ų31.37%0.06716%0.163CC..SBendtrans-139162.7177-54.10000109Y8 F9 R19 P203Y8-V11 HydrophobicContact CD1-CG2 4.24Å; Y8-V11 HydrophobicContact CE1-CG2 3.66Å; F9-V11 HydrophobicContact CB-CG2 4.28Å; F9-V11 PolarHBondContact O-N 2.94Å; V11-R19 PolarHBondContact O-NH1 2.87Å; V11-P203 CarbonylContact C-O 3.48Å; V11-P203 WeakPolarHBondContact CA-O 3.32Å; V11-P203 HydrophobicContact CG1-CG 4.22Å
12R98.7Very high96.8Very high51 Ų5120.4 Ų20.419%0.19211%0.11CC..SBendtrans-67.7-60.6169.1-58.3-175.6-171.9172.35.2109.9C15 A16 R19 H199 V200 L202 P203R12-C15 PolarHBondContact O-N 2.89Å; R12-C15 VanDerWaalsContact O-N 3.17Å; R12-A16 HydrophobicContact CB-CB 4.01Å; R12-A16 PolarHBondContact O-N 3.48Å; R12-A16 VanDerWaalsContact O-N 3.16Å; R12-R19 PolarHBondContact O-NH1 2.85Å; R12-H199 VanDerWaalsContact CZ-O 3.32Å; R12-H199 PolarHBondContact NE-O 3.38Å; R12-H199 PolarHBondContact NH1-NE2 2.91Å; R12-H199 VanDerWaalsContact NH1-NE2 3.15Å; R12-H199 PolarHBondContact NH2-O 3.23Å; R12-V200 PolarHBondContact NH2-O 3.24Å; R12-L202 HydrophobicContact CG-CB 3.86Å; R12-L202 PolarHBondContact NE-O 3.25Å; R12-P203 PolarHBondContact N-O 3.27Å
13G98.3Very high98.1Very high12 Ų1218.5 Ų18.512%0.12410%0.098CC..G310 helixtrans44.4-139171.900000114.5C15 A16 I204G13-C15 PolarHBondContact O-N 3.3Å; G13-A16 WeakPolarHBondContact O-CB 3.25Å; G13-A16 PolarHBondContact O-N 2.94Å; G13-I204 PolarHBondContact N-O 3.43Å
14R98.7Very high98.6Very high62 Ų6215.9 Ų15.923%0.2348%0.081CC..G310 helixtrans-71.7-5.7-179.1-71.3-175168.4-83.14.8114.3Y8 S66 E98Y8-R14 PolarHBondContact OH-N 2.8Å; R14-S66 WeakPolarHBondContact O-CB 3.45Å; R14-E98 IonicContact CZ-OE1 3.55Å; R14-E98 IonicContact CZ-OE2 3.61Å; R14-E98 VanDerWaalsContact NH1-CD 3.27Å; R14-E98 IonicContact NH1-OE1 2.82Å; R14-E98 PolarHBondContact NH1-OE1 3.41Å; R14-E98 IonicContact NH1-OE2 2.77Å; R14-E98 PolarHBondContact NH1-OE2 3.4Å; R14-E98 IonicContact NH2-OE1 3.21Å; R14-E98 PolarHBondContact NH2-OE1 3.11Å
15C98.8Very high98.7Very high0 Ų017.6 Ų17.60%09%0.09CC..G310 helixtrans-94.8-8.2176.5-78.50000113.6V6 Y8 R12 G13 A17 L18 R19 P54V6-C15 HydrophobicContact CG1-CB 4.37Å; Y8-C15 HydrophobicContact CD1-CB 3.76Å; Y8-C15 VanDerWaalsContact CD1-SG 3.58Å; Y8-C15 HydrophobicContact CE1-CB 4.1Å; Y8-C15 HydrophobicContact CG-CB 4.38Å; R12-C15 PolarHBondContact O-N 2.89Å; R12-C15 VanDerWaalsContact O-N 3.17Å; G13-C15 PolarHBondContact O-N 3.3Å; C15-A17 PolarHBondContact O-N 3.4Å; C15-L18 PolarHBondContact O-N 3.19Å; C15-R19 VanDerWaalsContact O-CG 3.3Å; C15-R19 WeakPolarHBondContact O-CG 3.23Å; C15-R19 PolarHBondContact O-N 2.8Å; C15-P54 WeakPolarHBondContact SG-CB 3.31Å
16A98.8Very high98.6Very high2 Ų219 Ų192%0.01711%0.108CC..Hα-helixtrans-58.8-50.6-175.700000112.6R12 G13 L18 R19 M20 D158R12-A16 HydrophobicContact CB-CB 4.01Å; R12-A16 PolarHBondContact O-N 3.48Å; R12-A16 VanDerWaalsContact O-N 3.16Å; G13-A16 WeakPolarHBondContact O-CB 3.25Å; G13-A16 PolarHBondContact O-N 2.94Å; A16-L18 PolarHBondContact O-N 3.43Å; A16-R19 PolarHBondContact O-N 3.41Å; A16-M20 WeakPolarHBondContact O-CG 3.48Å; A16-M20 PolarHBondContact O-N 3.33Å; A16-D158 WeakPolarHBondContact CB-OD1 3.47Å
17A98.9Very high98.6Very high3 Ų321.9 Ų21.93%0.02512%0.121CC..Hα-helixtrans-59.1-43.2177.300000112.9C15 M20 L21 L70 N155 D158C15-A17 PolarHBondContact O-N 3.4Å; A17-M20 PolarHBondContact O-N 3.38Å; A17-L21 WeakPolarHBondContact O-CB 3.16Å; A17-L21 PolarHBondContact O-N 3.11Å; A17-L70 HydrophobicContact CB-CD1 4.23Å; A17-L70 HydrophobicContact CB-CD2 4.11Å; A17-N155 HydrophobicContact CB-CB 4.07Å; A17-D158 HydrophobicContact CB-CB 4.32Å
18L98.6Very high98.6Very high3 Ų325 Ų252%0.01614%0.143CC..Hα-helixtrans-61.7-47.1177.4170.265.8000111.6V6 C15 A16 L21 L22 F56 F69 L70 L73V6-L18 HydrophobicContact CG2-CD2 3.97Å; C15-L18 PolarHBondContact O-N 3.19Å; A16-L18 PolarHBondContact O-N 3.43Å; L18-L21 WeakPolarHBondContact O-CB 3.26Å; L18-L21 PolarHBondContact O-N 3.06Å; L18-L22 HydrophobicContact CD1-CD1 4Å; L18-L22 HydrophobicContact CD1-CG 4.22Å; L18-L22 HydrophobicContact CG-CD1 4.05Å; L18-L22 WeakPolarHBondContact O-CG 3.49Å; L18-L22 PolarHBondContact O-N 3.11Å; L18-F56 HydrophobicContact CD1-CE2 4.46Å; L18-F56 HydrophobicContact CD2-CD2 3.96Å; L18-F56 HydrophobicContact CD2-CE2 4.16Å; L18-F69 HydrophobicContact CD1-CB 4.24Å; L18-F69 HydrophobicContact CD2-CB 4.23Å; L18-F69 HydrophobicContact CD2-CD2 3.92Å; L18-L70 HydrophobicContact CB-CD2 4.29Å; L18-L73 HydrophobicContact CD1-CD1 3.21Å; L18-L73 HydrophobicContact CD1-CG 4.29Å
19R98.8Very high98.5Very high14 Ų1426 Ų265%0.05315%0.147CC..Hα-helixtrans-64.3-41.3179.4-68.8164.8174.3152.7-5.2111.3V11 R12 C15 A16 L22 A23 W29 E31 F193V11-R19 PolarHBondContact O-NH1 2.87Å; R12-R19 PolarHBondContact O-NH1 2.85Å; C15-R19 VanDerWaalsContact O-CG 3.3Å; C15-R19 WeakPolarHBondContact O-CG 3.23Å; C15-R19 PolarHBondContact O-N 2.8Å; A16-R19 PolarHBondContact O-N 3.41Å; R19-L22 PolarHBondContact O-N 3.11Å; R19-A23 VanDerWaalsContact O-CB 3.29Å; R19-A23 WeakPolarHBondContact O-CB 3.38Å; R19-A23 PolarHBondContact O-N 2.91Å; R19-W29 HydrophobicContact CB-CZ2 4.19Å; R19-W29 HydrophobicContact CG-CZ2 4.24Å; R19-E31 IonicContact CZ-OE1 2.81Å; R19-E31 IonicContact CZ-OE2 2.7Å; R19-E31 IonicContact NE-OE1 3.83Å; R19-E31 PolarHBondContact NE-OE1 2.99Å; R19-E31 IonicContact NE-OE2 2.82Å; R19-E31 IonicContact NH2-OE1 3.51Å; R19-E31 PolarHBondContact NH2-OE1 2.97Å; R19-E31 IonicContact NH2-OE2 3.56Å; R19-E31 PolarHBondContact NH2-OE2 2.79Å; R19-F193 HydrophobicContact CB-CE1 4.15Å; R19-F193 HydrophobicContact CB-CE2 4.32Å; R19-F193 HydrophobicContact CB-CZ 3.57Å
20M98.9Very high98.5Very high0 Ų029.1 Ų29.10%016%0.16CC..Hα-helixtrans-59.9-44.3173-75.6-167.3-7400112.2A16 A17 D24 Y154 L157 D158 L161 L190 F193 L194A16-M20 WeakPolarHBondContact O-CG 3.48Å; A16-M20 PolarHBondContact O-N 3.33Å; A17-M20 PolarHBondContact O-N 3.38Å; M20-D24 WeakPolarHBondContact O-CB 3.4Å; M20-D24 PolarHBondContact O-N 3.24Å; M20-Y154 HydrophobicContact CB-CD1 4.21Å; M20-L157 HydrophobicContact SD-CD2 4.12Å; M20-L157 HydrophobicContact SD-CG 4.47Å; M20-D158 HydrophobicContact CE-CB 3.37Å; M20-L161 HydrophobicContact SD-CD1 4.46Å; M20-L190 HydrophobicContact CB-CD1 3.67Å; M20-L190 HydrophobicContact CG-CD1 3.65Å; M20-L190 HydrophobicContact SD-CD1 4.03Å; M20-F193 HydrophobicContact CG-CD1 4.07Å; M20-F193 HydrophobicContact CG-CE1 3.82Å; M20-L194 HydrophobicContact CG-CD2 4.22Å; M20-L194 HydrophobicContact SD-CD2 3.78Å
21L98.8Very high98.5Very high0 Ų029 Ų290%016%0.155CC..Hα-helixtrans-60.1-54.1176.2-176.4166000110.9A17 L18 A23 D24 Q25 L70 L73 L77 L79 F151 Y154A17-L21 WeakPolarHBondContact O-CB 3.16Å; A17-L21 PolarHBondContact O-N 3.11Å; L18-L21 WeakPolarHBondContact O-CB 3.26Å; L18-L21 PolarHBondContact O-N 3.06Å; L21-A23 VanDerWaalsContact C-N 3.34Å; L21-A23 PolarHBondContact O-N 3.37Å; L21-D24 PolarHBondContact O-N 2.99Å; L21-Q25 HydrophobicContact CD2-CG 4.16Å; L21-Q25 WeakPolarHBondContact O-CB 3.48Å; L21-Q25 VanDerWaalsContact O-CG 3.22Å; L21-Q25 WeakPolarHBondContact O-CG 3.33Å; L21-Q25 PolarHBondContact O-N 3.06Å; L21-L70 HydrophobicContact CD1-CD2 4.16Å; L21-L73 HydrophobicContact CD1-CB 4.3Å; L21-L73 HydrophobicContact CD2-CB 3.98Å; L21-L73 HydrophobicContact CD2-CD1 3.8Å; L21-L77 HydrophobicContact CD2-CD1 3.94Å; L21-L79 HydrophobicContact CD1-CD1 4.09Å; L21-L79 HydrophobicContact CD2-CD1 3.93Å; L21-L79 HydrophobicContact CG-CD1 3.91Å; L21-F151 HydrophobicContact CD1-CB 3.85Å; L21-Y154 HydrophobicContact CB-CD1 4.2Å; L21-Y154 HydrophobicContact CB-CD2 3.71Å; L21-Y154 HydrophobicContact CB-CE1 4.48Å; L21-Y154 HydrophobicContact CB-CE2 4.02Å; L21-Y154 HydrophobicContact CB-CG 3.79Å; L21-Y154 HydrophobicContact CD1-CD2 3.89Å; L21-Y154 HydrophobicContact CD1-CE2 4.16Å; L21-Y154 HydrophobicContact CG-CD2 3.74Å; L21-Y154 HydrophobicContact CG-CE2 3.71Å; L21-Y154 HydrophobicContact CG-CG 4.34Å
22L98.7Very high98.5Very high0 Ų031.7 Ų31.70%017%0.166CC..Hα-helixtrans-57.6-47.1-179.2-73.7168.1000111.4Y4 V6 L18 R19 Q25 G26 Q27 W29 F56 L73Y4-L22 HydrophobicContact CD2-CD2 3.59Å; Y4-L22 HydrophobicContact CE2-CD2 3.85Å; Y4-L22 HydrophobicContact CG-CD2 4.25Å; V6-L22 HydrophobicContact CG2-CD1 4.49Å; L18-L22 HydrophobicContact CD1-CD1 4Å; L18-L22 HydrophobicContact CD1-CG 4.22Å; L18-L22 HydrophobicContact CG-CD1 4.05Å; L18-L22 WeakPolarHBondContact O-CG 3.49Å; L18-L22 PolarHBondContact O-N 3.11Å; R19-L22 PolarHBondContact O-N 3.11Å; L22-Q25 PolarHBondContact O-N 3.47Å; L22-G26 PolarHBondContact O-N 3.16Å; L22-Q27 HydrophobicContact CB-CB 4.22Å; L22-Q27 HydrophobicContact CD2-CB 3.63Å; L22-Q27 HydrophobicContact CD2-CG 4.1Å; L22-Q27 WeakPolarHBondContact O-CB 3.39Å; L22-Q27 PolarHBondContact O-N 3.41Å; L22-W29 HydrophobicContact CB-CD2 4.24Å; L22-W29 HydrophobicContact CB-CE3 3.55Å; L22-W29 HydrophobicContact CB-CH2 4.44Å; L22-W29 HydrophobicContact CB-CZ3 3.67Å; L22-W29 HydrophobicContact CD1-CB 4.11Å; L22-W29 HydrophobicContact CD1-CD2 3.91Å; L22-W29 HydrophobicContact CD1-CE3 4.04Å; L22-W29 HydrophobicContact CD1-CG 3.94Å; L22-W29 HydrophobicContact CG-CE3 4.37Å; L22-F56 HydrophobicContact CD1-CE2 4.43Å; L22-L73 HydrophobicContact CD1-CD1 4.46Å; L22-L73 HydrophobicContact CD2-CD1 3.56Å; L22-L73 HydrophobicContact CD2-CD2 4.48Å; L22-L73 HydrophobicContact CG-CD1 3.84Å
23A98.7Very high98.5Very high14 Ų1433.5 Ų33.512%0.11618%0.183CC..Hα-helixtrans-61.2-49178.600000112.5R19 L21 Q25 G26 W29 K189 F193R19-A23 VanDerWaalsContact O-CB 3.29Å; R19-A23 WeakPolarHBondContact O-CB 3.38Å; R19-A23 PolarHBondContact O-N 2.91Å; L21-A23 VanDerWaalsContact C-N 3.34Å; L21-A23 PolarHBondContact O-N 3.37Å; A23-Q25 VanDerWaalsContact C-N 3.26Å; A23-Q25 PolarHBondContact O-N 3.35Å; A23-G26 PolarHBondContact O-N 2.91Å; A23-W29 HydrophobicContact CB-CH2 4Å; A23-W29 HydrophobicContact CB-CZ3 4.2Å; A23-K189 WeakPolarHBondContact O-CB 3.3Å; A23-F193 HydrophobicContact CB-CB 3.55Å; A23-F193 HydrophobicContact CB-CD1 4.07Å; A23-F193 HydrophobicContact CB-CD2 3.72Å; A23-F193 HydrophobicContact CB-CE2 4.5Å; A23-F193 HydrophobicContact CB-CG 3.48Å; A23-F193 VanDerWaalsContact CB-CG 3.48Å
24D98.8Very high98.5Very high7 Ų733.3 Ų33.34%0.03718%0.179CC..Hα-helixtrans-66-32.2-177.4-166.654.6000112.5M20 L21 G26 Y154 R187 L190M20-D24 WeakPolarHBondContact O-CB 3.4Å; M20-D24 PolarHBondContact O-N 3.24Å; L21-D24 PolarHBondContact O-N 2.99Å; D24-G26 PolarHBondContact O-N 3.31Å; D24-Y154 HydrophobicContact CB-CE1 3.69Å; D24-Y154 PolarHBondContact OD2-OH 2.72Å; D24-R187 IonicContact OD1-NE 3.41Å; D24-R187 PolarHBondContact OD1-NE 3.38Å; D24-R187 IonicContact OD1-NH2 3.92Å; D24-R187 IonicContact OD2-CZ 3.17Å; D24-R187 IonicContact OD2-NE 2.73Å; D24-R187 PolarHBondContact OD2-NE 3.4Å; D24-R187 IonicContact OD2-NH2 2.75Å; D24-R187 PolarHBondContact OD2-NH2 3.24Å; D24-L190 HydrophobicContact CB-CB 3.99Å; D24-L190 WeakPolarHBondContact OD1-CB 3.48Å; D24-L190 PolarHBondContact OD1-N 2.99Å
25Q98.5Very high98.4Very high52 Ų5232.8 Ų32.824%0.24318%0.183CC..THydrogen-bonded Turntrans-80.91.6174.5-62.5-55.8-5400113.7L21 L22 A23 Q27 L77 L79 Y154L21-Q25 HydrophobicContact CD2-CG 4.16Å; L21-Q25 WeakPolarHBondContact O-CB 3.48Å; L21-Q25 VanDerWaalsContact O-CG 3.22Å; L21-Q25 WeakPolarHBondContact O-CG 3.33Å; L21-Q25 PolarHBondContact O-N 3.06Å; L22-Q25 PolarHBondContact O-N 3.47Å; A23-Q25 VanDerWaalsContact C-N 3.26Å; A23-Q25 PolarHBondContact O-N 3.35Å; Q25-Q27 HydrophobicContact CB-CG 4.05Å; Q25-Q27 PolarHBondContact O-N 2.88Å; Q25-L77 HydrophobicContact CB-CD1 4.3Å; Q25-L77 HydrophobicContact CG-CD1 4.35Å; Q25-L79 HydrophobicContact CG-CD1 3.82Å; Q25-Y154 PolarHBondContact NE2-OH 3.3Å
26G98Very high98.3Very high48 Ų4837 Ų3750%0.49520%0.204SC..THydrogen-bonded Turntrans66.125.4179.600000113.5L22 A23 D24L22-G26 PolarHBondContact O-N 3.16Å; A23-G26 PolarHBondContact O-N 2.91Å; D24-G26 PolarHBondContact O-N 3.31Å
27Q98.3Very high98.2Very high61 Ų6143.2 Ų43.229%0.28523%0.233SC..  trans-83.1146.3175.1-59.1-57.8-38.300110Y4 L22 Q25 W29 L77Y4-Q27 HydrophobicContact CD2-CB 4.27Å; Y4-Q27 HydrophobicContact CE2-CB 4.07Å; Y4-Q27 HydrophobicContact CE2-CG 4.15Å; L22-Q27 HydrophobicContact CB-CB 4.22Å; L22-Q27 HydrophobicContact CD2-CB 3.63Å; L22-Q27 HydrophobicContact CD2-CG 4.1Å; L22-Q27 WeakPolarHBondContact O-CB 3.39Å; L22-Q27 PolarHBondContact O-N 3.41Å; Q25-Q27 HydrophobicContact CB-CG 4.05Å; Q25-Q27 PolarHBondContact O-N 2.88Å; Q27-W29 WeakPolarHBondContact O-CZ3 3.38Å; Q27-L77 HydrophobicContact CG-CD1 4.04Å
28S97.5Very high98.1Very high69 Ų6946.4 Ų46.448%0.48325%0.252SS..  trans-100.114517162.60000109.8
29W98.3Very high98.1Very high42 Ų4248 Ų4816%0.15926%0.258CS..EExtended strand (participates in β ladder)trans-145163.5174.570.598.7000110.5Y4 V6 R19 L22 A23 Q27 E31 F193Y4-W29 CarbonylContact O-C 3.37Å; Y4-W29 WeakPolarHBondContact O-CA 3.41Å; Y4-W29 WeakPolarHBondContact O-CB 3.11Å; V6-W29 HydrophobicContact CG2-CG 4.35Å; R19-W29 HydrophobicContact CB-CZ2 4.19Å; R19-W29 HydrophobicContact CG-CZ2 4.24Å; L22-W29 HydrophobicContact CB-CD2 4.24Å; L22-W29 HydrophobicContact CB-CE3 3.55Å; L22-W29 HydrophobicContact CB-CH2 4.44Å; L22-W29 HydrophobicContact CB-CZ3 3.67Å; L22-W29 HydrophobicContact CD1-CB 4.11Å; L22-W29 HydrophobicContact CD1-CD2 3.91Å; L22-W29 HydrophobicContact CD1-CE3 4.04Å; L22-W29 HydrophobicContact CD1-CG 3.94Å; L22-W29 HydrophobicContact CG-CE3 4.37Å; A23-W29 HydrophobicContact CB-CH2 4Å; A23-W29 HydrophobicContact CB-CZ3 4.2Å; Q27-W29 WeakPolarHBondContact O-CZ3 3.38Å; W29-E31 PolarHBondContact NE1-OE1 3.11Å; W29-F193 HydrophobicContact CH2-CD2 4.19Å; W29-F193 AromaticContact CH2-CE2 3.95Å; W29-F193 HydrophobicContact CH2-CE2 3.95Å; W29-F193 HydrophobicContact CZ2-CE2 4.01Å
30K98.1Very high98Very high104 Ų10454.7 Ų54.745%0.45229%0.29SS..EExtended strand (participates in β ladder)trans-100.2137170.1-178.7-172.1176.9-165.20109.4Y4 T5 V6 E32Y4-K30 PolarHBondContact O-N 3.5Å; T5-K30 CarbonylContact C-O 3.59Å; T5-K30 WeakPolarHBondContact CA-O 3.22Å; T5-K30 HydrophobicContact CG2-CB 4.34Å; T5-K30 HydrophobicContact CG2-CD 4.35Å; V6-K30 PolarHBondContact N-O 3.41Å; K30-E32 HydrophobicContact CD-CG 4.14Å; K30-E32 WeakPolarHBondContact CE-OE1 3.23Å; K30-E32 HydrophobicContact CG-CG 4.47Å; K30-E32 IonicContact NZ-OE1 2.68Å; K30-E32 PolarHBondContact NZ-OE1 3.41Å
31E98.2Very high98Very high55 Ų5560.7 Ų60.726%0.25732%0.318SS..EExtended strand (participates in β ladder)trans-93.3124.1165.8-68-72.4169.500109.6R19 W29R19-E31 IonicContact CZ-OE1 2.81Å; R19-E31 IonicContact CZ-OE2 2.7Å; R19-E31 IonicContact NE-OE1 3.83Å; R19-E31 PolarHBondContact NE-OE1 2.99Å; R19-E31 IonicContact NE-OE2 2.82Å; R19-E31 IonicContact NH2-OE1 3.51Å; R19-E31 PolarHBondContact NH2-OE1 2.97Å; R19-E31 IonicContact NH2-OE2 3.56Å; R19-E31 PolarHBondContact NH2-OE2 2.79Å; W29-E31 PolarHBondContact NE1-OE1 3.11Å
32E97.8Very high97.9Very high66 Ų6661.8 Ų61.831%0.30833%0.329SS..EExtended strand (participates in β ladder)trans-107.799.3166.9-73.1-170.8175.600108.6T5 V6 V7 Y8 K30T5-E32 HydrophobicContact CG2-CB 4.33Å; T5-E32 HydrophobicContact CG2-CG 3.71Å; V6-E32 PolarHBondContact O-N 3.11Å; V7-E32 WeakPolarHBondContact CA-O 3.27Å; V7-E32 HydrophobicContact CB-CB 4.37Å; V7-E32 HydrophobicContact CG1-CB 4.3Å; V7-E32 HydrophobicContact CG2-CB 4.03Å; Y8-E32 PolarHBondContact N-O 3.41Å; Y8-E32 VanDerWaalsContact N-O 3.16Å; K30-E32 HydrophobicContact CD-CG 4.14Å; K30-E32 WeakPolarHBondContact CE-OE1 3.23Å; K30-E32 HydrophobicContact CG-CG 4.47Å; K30-E32 IonicContact NZ-OE1 2.68Å; K30-E32 PolarHBondContact NZ-OE1 3.41Å
33V98.1Very high97.8Very high90 Ų9065.2 Ų65.255%0.54535%0.353SS..EExtended strand (participates in β ladder)trans-78.1124-177.4179.80000109.9P10P10-V33 HydrophobicContact CB-CG1 3.82Å; P10-V33 HydrophobicContact CG-CG1 4.26Å
34V98.5Very high97.8Very high7 Ų766 Ų664%0.04236%0.355CS..PPolyproline II helixtrans-103.8116.6176.2-178.50000108.7V7 Y8 F9 P10 T38 W39 L44 L53V7-V34 HydrophobicContact CG1-CG2 3.6Å; Y8-V34 PolarHBondContact O-N 3.18Å; F9-V34 HydrophobicContact CD1-CB 4.4Å; F9-V34 HydrophobicContact CD1-CG1 4.46Å; F9-V34 WeakPolarHBondContact CD1-O 3.24Å; F9-V34 HydrophobicContact CE1-CG1 4.28Å; P10-V34 WeakPolarHBondContact CD-O 3.36Å; V34-T38 HydrophobicContact CG1-CG2 4.27Å; V34-W39 HydrophobicContact CG1-CB 4.14Å; V34-W39 HydrophobicContact CG1-CE3 4.34Å; V34-L44 HydrophobicContact CB-CD2 4.26Å; V34-L44 HydrophobicContact CG1-CD2 3.65Å; V34-L44 HydrophobicContact CG2-CD2 3.53Å; V34-L53 HydrophobicContact CB-CD1 3.87Å; V34-L53 HydrophobicContact CG1-CD1 4.04Å; V34-L53 HydrophobicContact CG2-CD1 3.8Å
35T97.4Very high97.8Very high52 Ų5270.1 Ų70.132%0.31937%0.373SS..PPolyproline II helixtrans-78.2165.5175.480.40000111.2E37 T38 W39T35-E37 WeakPolarHBondContact CB-OE2 3.42Å; T35-E37 PolarHBondContact O-N 3.37Å; T35-E37 PolarHBondContact OG1-N 3.02Å; T35-E37 PolarHBondContact OG1-OE2 2.93Å; T35-T38 PolarHBondContact O-N 3.3Å; T35-T38 PolarHBondContact OG1-N 2.78Å; T35-T38 PolarHBondContact OG1-OG1 3.49Å; T35-W39 WeakPolarHBondContact O-CB 3.27Å; T35-W39 PolarHBondContact O-N 3.18Å
36M95.9Very high97.8Very high89 Ų8971.8 Ų71.844%0.43840%0.396SS..Hα-helixtrans-62.2-35.9175.3-73.6-62107.300111.5F9 W39 Q40F9-M36 HydrophobicContact CB-CE 4.34Å; F9-M36 HydrophobicContact CD1-CE 3.11Å; F9-M36 HydrophobicContact CD2-CE 4.4Å; F9-M36 HydrophobicContact CE1-CE 3.33Å; F9-M36 HydrophobicContact CG-CE 3.71Å; F9-M36 HydrophobicContact CZ-CE 4.07Å; M36-W39 PolarHBondContact O-N 3.19Å; M36-Q40 VanDerWaalsContact O-CB 3.32Å; M36-Q40 WeakPolarHBondContact O-CB 3.3Å; M36-Q40 WeakPolarHBondContact O-CG 3.3Å; M36-Q40 PolarHBondContact O-N 3.19Å
37E96.9Very high97.8Very high132 Ų13273 Ų7362%0.61740%0.397SS*.Hα-helixtrans-63.6-48.3177-56.976.1-166.300111.1T35 W39 Q40 E41T35-E37 WeakPolarHBondContact CB-OE2 3.42Å; T35-E37 PolarHBondContact O-N 3.37Å; T35-E37 PolarHBondContact OG1-N 3.02Å; T35-E37 PolarHBondContact OG1-OE2 2.93Å; E37-W39 VanDerWaalsContact C-N 3.27Å; E37-W39 PolarHBondContact O-N 3.37Å; E37-Q40 PolarHBondContact O-N 3.43Å; E37-E41 PolarHBondContact O-N 3.42Å; E37-E41 VanDerWaalsContact O-N 3.1Å
38T97.7Very high97.8Very high70 Ų7070.4 Ų70.443%0.42939%0.385SS..Hα-helixtrans-61-37.6175-54.90000111.7V34 T35V34-T38 HydrophobicContact CG1-CG2 4.27Å; T35-T38 PolarHBondContact O-N 3.3Å; T35-T38 PolarHBondContact OG1-N 2.78Å; T35-T38 PolarHBondContact OG1-OG1 3.49Å
39W98.2Very high97.8Very high36 Ų3672.6 Ų72.614%0.13639%0.391CS..Hα-helixtrans-70.6-37178.5-173.5-113.2000113.1F9 V34 T35 M36 E37 G42 L44 K45 G51 L53F9-W39 HydrophobicContact CE1-CB 3.88Å; F9-W39 AromaticContact CE1-CD2 3.86Å; F9-W39 HydrophobicContact CE1-CD2 3.86Å; F9-W39 HydrophobicContact CE1-CE3 4.31Å; F9-W39 AromaticContact CE1-CG 3.65Å; F9-W39 HydrophobicContact CE1-CG 3.65Å; F9-W39 AromaticContact CZ-CD1 3.93Å; F9-W39 AromaticContact CZ-CD2 3.73Å; F9-W39 HydrophobicContact CZ-CD2 3.73Å; F9-W39 AromaticContact CZ-CE2 3.77Å; F9-W39 HydrophobicContact CZ-CE3 4.27Å; F9-W39 AromaticContact CZ-CG 3.85Å; F9-W39 HydrophobicContact CZ-CG 3.85Å; F9-W39 HydrophobicContact CZ-CZ2 4.32Å; F9-W39 AromaticContact CZ-NE1 3.88Å; V34-W39 HydrophobicContact CG1-CB 4.14Å; V34-W39 HydrophobicContact CG1-CE3 4.34Å; T35-W39 WeakPolarHBondContact O-CB 3.27Å; T35-W39 PolarHBondContact O-N 3.18Å; M36-W39 PolarHBondContact O-N 3.19Å; E37-W39 VanDerWaalsContact C-N 3.27Å; E37-W39 PolarHBondContact O-N 3.37Å; W39-G42 PolarHBondContact O-N 3.39Å; W39-L44 HydrophobicContact CE3-CD2 4.2Å; W39-L44 HydrophobicContact CE3-CG 4.29Å; W39-L44 HydrophobicContact CZ3-CD2 4.33Å; W39-L44 HydrophobicContact CZ3-CG 4.1Å; W39-K45 HydrophobicContact CD2-CB 4.22Å; W39-K45 HydrophobicContact CE3-CB 4.08Å; W39-K45 HydrophobicContact CH2-CB 3.64Å; W39-K45 HydrophobicContact CH2-CG 3.74Å; W39-K45 HydrophobicContact CZ2-CB 3.78Å; W39-K45 HydrophobicContact CZ2-CD 3.86Å; W39-K45 HydrophobicContact CZ2-CG 3.57Å; W39-K45 HydrophobicContact CZ3-CB 3.79Å; W39-K45 HydrophobicContact CZ3-CG 4.4Å; W39-G51 WeakPolarHBondContact CZ2-O 3.49Å; W39-L53 HydrophobicContact CE3-CD1 4.03Å; W39-L53 HydrophobicContact CE3-CG 4.23Å; W39-L53 HydrophobicContact CH2-CG 3.97Å; W39-L53 HydrophobicContact CZ3-CD1 3.94Å; W39-L53 HydrophobicContact CZ3-CD2 4.19Å; W39-L53 HydrophobicContact CZ3-CG 3.62Å
40Q97.3Very high97.8Very high155 Ų15576.9 Ų76.972%0.72441%0.408SS*.Hα-helixtrans-73.1-25.9179.4-76.2172.8-6.800113.4M36 E37 G42M36-Q40 VanDerWaalsContact O-CB 3.32Å; M36-Q40 WeakPolarHBondContact O-CB 3.3Å; M36-Q40 WeakPolarHBondContact O-CG 3.3Å; M36-Q40 PolarHBondContact O-N 3.19Å; E37-Q40 PolarHBondContact O-N 3.43Å; Q40-G42 PolarHBondContact O-N 2.81Å
41E97.4Very high97.8Very high125 Ų12572.7 Ų72.758%0.58439%0.394SS*.Hα-helixtrans-59-31.5170.1-179-80.415100111.7E37 S43E37-E41 PolarHBondContact O-N 3.42Å; E37-E41 VanDerWaalsContact O-N 3.1Å; E41-S43 PolarHBondContact O-N 2.82Å; E41-S43 WeakPolarHBondContact OE2-CB 3.44Å; E41-S43 PolarHBondContact OE2-N 3.31Å; E41-S43 PolarHBondContact OE2-OG 3.26Å
42G97.1Very high97.9Very high24 Ų2475.7 Ų75.725%0.24741%0.408CS..  trans94.4-17.416200000116W39 Q40 L44 K45 A46W39-G42 PolarHBondContact O-N 3.39Å; Q40-G42 PolarHBondContact O-N 2.81Å; G42-L44 PolarHBondContact O-N 3.41Å; G42-K45 PolarHBondContact O-N 2.99Å; G42-A46 WeakPolarHBondContact O-CB 3.31Å; G42-A46 PolarHBondContact O-N 3.39Å
43S97.8Very high97.9Very high71 Ų7173.3 Ų73.350%0.49740%0.398SS..Hα-helixtrans-60.9-45.2179.666.70000112E41 A46 S47E41-S43 PolarHBondContact O-N 2.82Å; E41-S43 WeakPolarHBondContact OE2-CB 3.44Å; E41-S43 PolarHBondContact OE2-N 3.31Å; E41-S43 PolarHBondContact OE2-OG 3.26Å; S43-A46 PolarHBondContact O-N 3.43Å; S43-S47 PolarHBondContact O-N 3.37Å; S43-S47 VanDerWaalsContact O-N 3.1Å; S43-S47 PolarHBondContact O-OG 3.01Å
44L98.3Very high97.9Very high31 Ų3169.3 Ų69.316%0.16237%0.374CS..Hα-helixtrans-63.9-45.1177.2-179.760.8000111.2V34 W39 G42 A46 S47 C48 L53V34-L44 HydrophobicContact CB-CD2 4.26Å; V34-L44 HydrophobicContact CG1-CD2 3.65Å; V34-L44 HydrophobicContact CG2-CD2 3.53Å; W39-L44 HydrophobicContact CE3-CD2 4.2Å; W39-L44 HydrophobicContact CE3-CG 4.29Å; W39-L44 HydrophobicContact CZ3-CD2 4.33Å; W39-L44 HydrophobicContact CZ3-CG 4.1Å; G42-L44 PolarHBondContact O-N 3.41Å; L44-A46 VanDerWaalsContact C-N 3.34Å; L44-A46 PolarHBondContact O-N 3.25Å; L44-S47 PolarHBondContact O-N 2.94Å; L44-S47 PolarHBondContact O-OG 3.33Å; L44-C48 PolarHBondContact O-N 3.44Å; L44-C48 VanDerWaalsContact O-N 3.15Å; L44-C48 PolarHBondContact O-SG 3.19Å; L44-L53 HydrophobicContact CD2-CD1 4.5Å
45K98.2Very high97.9Very high93 Ų9370.8 Ų70.840%0.40438%0.379SS..Hα-helixtrans-59.5-45177.9-179.2177.9173.172.20111.3W39 G42 S47 C48 G51W39-K45 HydrophobicContact CD2-CB 4.22Å; W39-K45 HydrophobicContact CE3-CB 4.08Å; W39-K45 HydrophobicContact CH2-CB 3.64Å; W39-K45 HydrophobicContact CH2-CG 3.74Å; W39-K45 HydrophobicContact CZ2-CB 3.78Å; W39-K45 HydrophobicContact CZ2-CD 3.86Å; W39-K45 HydrophobicContact CZ2-CG 3.57Å; W39-K45 HydrophobicContact CZ3-CB 3.79Å; W39-K45 HydrophobicContact CZ3-CG 4.4Å; G42-K45 PolarHBondContact O-N 2.99Å; K45-S47 VanDerWaalsContact C-N 3.29Å; K45-S47 PolarHBondContact O-N 3.23Å; K45-C48 PolarHBondContact O-N 3.02Å; K45-G51 PolarHBondContact NZ-O 2.66Å; K45-G51 WeakPolarHBondContact O-CA 3.22Å
46A98.2Very high98Very high88 Ų8868.3 Ų68.373%0.72736%0.364SS*.Hα-helixtrans-65.4-31.1179.700000113G42 S43 L44G42-A46 WeakPolarHBondContact O-CB 3.31Å; G42-A46 PolarHBondContact O-N 3.39Å; S43-A46 PolarHBondContact O-N 3.43Å; L44-A46 VanDerWaalsContact C-N 3.34Å; L44-A46 PolarHBondContact O-N 3.25Å
47S97.9Very high98.1Very high73 Ų7366.4 Ų66.451%0.5135%0.354SS..Hα-helixtrans-80.9-16.1176.570.30000114.4S43 L44 K45 Y64S43-S47 PolarHBondContact O-N 3.37Å; S43-S47 VanDerWaalsContact O-N 3.1Å; S43-S47 PolarHBondContact O-OG 3.01Å; L44-S47 PolarHBondContact O-N 2.94Å; L44-S47 PolarHBondContact O-OG 3.33Å; K45-S47 VanDerWaalsContact C-N 3.29Å; K45-S47 PolarHBondContact O-N 3.23Å; S47-Y64 PolarHBondContact O-OH 2.59Å
48C98.5Very high98.2Very high7 Ų762 Ų625%0.04734%0.335CS..SBendtrans-76.5133176.6-67.80000110.9L44 K45 Y50 G51 Y64L44-C48 PolarHBondContact O-N 3.44Å; L44-C48 VanDerWaalsContact O-N 3.15Å; L44-C48 PolarHBondContact O-SG 3.19Å; K45-C48 PolarHBondContact O-N 3.02Å; C48-Y50 VanDerWaalsContact C-N 3.26Å; C48-Y50 PolarHBondContact O-N 3.14Å; C48-Y50 VanDerWaalsContact O-N 3.1Å; C48-G51 PolarHBondContact O-N 3.16Å; C48-Y64 HydrophobicContact CB-CD1 4.29Å; C48-Y64 HydrophobicContact CB-CE1 3.68Å
49L98.5Very high98.1Very high114 Ų11461.3 Ų61.360%0.59734%0.342SS*.THydrogen-bonded Turntrans-51.9-41.1-174.3178.460.9000114Y64L49-Y64 HydrophobicContact CB-CD2 3.38Å; L49-Y64 HydrophobicContact CB-CE2 3.59Å; L49-Y64 HydrophobicContact CB-CG 3.93Å; L49-Y64 HydrophobicContact CD2-CD2 4.14Å; L49-Y64 HydrophobicContact CG-CD2 4.42Å
50Y98.5Very high98Very high132 Ų13267.3 Ų67.352%0.51838%0.377SS..THydrogen-bonded Turntrans-10914.6179.3-56.7-64.7000112.9C48 Q52 Q65C48-Y50 VanDerWaalsContact C-N 3.26Å; C48-Y50 PolarHBondContact O-N 3.14Å; C48-Y50 VanDerWaalsContact O-N 3.1Å; Y50-Q52 WeakPolarHBondContact O-CG 3.45Å; Y50-Q52 PolarHBondContact O-N 3.17Å; Y50-Q65 HydrophobicContact CD2-CG 4.08Å; Y50-Q65 HydrophobicContact CE2-CG 3.79Å
51G98.4Very high98Very high16 Ų1663.3 Ų63.317%0.16536%0.36CS..SBendtrans59.627.9-17500000113.5W39 K45 C48W39-G51 WeakPolarHBondContact CZ2-O 3.49Å; K45-G51 PolarHBondContact NZ-O 2.66Å; K45-G51 WeakPolarHBondContact O-CA 3.22Å; C48-G51 PolarHBondContact O-N 3.16Å
52Q98.6Very high98.1Very high118 Ų11860.1 Ų60.155%0.55135%0.349SS*.  trans-142.4154.2-174.1-70.4-178-5000111.2Y50Y50-Q52 WeakPolarHBondContact O-CG 3.45Å; Y50-Q52 PolarHBondContact O-N 3.17Å
53L98.7Very high98.1Very high17 Ų1760.3 Ų60.39%0.08934%0.344CS..SBendtrans-101.8155.2165.5-64.4179000109V7 Y8 F9 V34 W39 L44 K55V7-L53 HydrophobicContact CG1-CD2 4.19Å; Y8-L53 HydrophobicContact CD2-CB 3.75Å; Y8-L53 HydrophobicContact CE2-CB 4.15Å; F9-L53 HydrophobicContact CD1-CD1 4.23Å; F9-L53 HydrophobicContact CE1-CD1 3.89Å; F9-L53 HydrophobicContact CE2-CB 4.16Å; F9-L53 HydrophobicContact CE2-CD1 4.3Å; F9-L53 HydrophobicContact CZ-CB 4.45Å; F9-L53 HydrophobicContact CZ-CD1 3.93Å; F9-L53 HydrophobicContact CZ-CG 4.43Å; V34-L53 HydrophobicContact CB-CD1 3.87Å; V34-L53 HydrophobicContact CG1-CD1 4.04Å; V34-L53 HydrophobicContact CG2-CD1 3.8Å; W39-L53 HydrophobicContact CE3-CD1 4.03Å; W39-L53 HydrophobicContact CE3-CG 4.23Å; W39-L53 HydrophobicContact CH2-CG 3.97Å; W39-L53 HydrophobicContact CZ3-CD1 3.94Å; W39-L53 HydrophobicContact CZ3-CD2 4.19Å; W39-L53 HydrophobicContact CZ3-CG 3.62Å; L44-L53 HydrophobicContact CD2-CD1 4.5Å; L53-K55 HydrophobicContact CD2-CB 3.99Å
54P98.7Very high98.2Very high6 Ų658.6 Ų58.64%0.03933%0.327CS..  cis-82.2153.61434.9-38.3000114.8Y8 C15 F69Y8-P54 HydrophobicContact CD2-CB 3.56Å; Y8-P54 HydrophobicContact CD2-CG 4.38Å; Y8-P54 HydrophobicContact CE2-CB 4Å; Y8-P54 HydrophobicContact CE2-CG 4.33Å; Y8-P54 HydrophobicContact CG-CB 4.12Å; C15-P54 WeakPolarHBondContact SG-CB 3.31Å; P54-F69 HydrophobicContact CB-CE2 3.69Å; P54-F69 HydrophobicContact CB-CZ 4.45Å; P54-F69 HydrophobicContact CG-CD2 4.23Å; P54-F69 HydrophobicContact CG-CE2 3.48Å; P54-F69 VanDerWaalsContact CG-CE2 3.48Å; P54-F69 HydrophobicContact CG-CZ 4.27Å; P54-F69 VanDerWaalsContact O-CZ 3.32Å; P54-F69 WeakPolarHBondContact O-CZ 3.28Å
55K98.8Very high98.2Very high37 Ų3761.2 Ų61.216%0.16134%0.339CS..EExtended strand (participates in β ladder)trans-111.9140.3165.6162.8-173.5174.3-170.20107.9V7 L53 T62 Y64V7-K55 HydrophobicContact CB-CB 3.99Å; V7-K55 HydrophobicContact CB-CD 4.45Å; V7-K55 HydrophobicContact CB-CG 4.31Å; V7-K55 HydrophobicContact CG2-CB 4.37Å; V7-K55 HydrophobicContact CG2-CD 4.13Å; V7-K55 HydrophobicContact CG2-CG 4.15Å; V7-K55 PolarHBondContact N-O 2.89Å; V7-K55 PolarHBondContact O-N 3.44Å; V7-K55 VanDerWaalsContact O-N 3.07Å; L53-K55 HydrophobicContact CD2-CB 3.99Å; K55-T62 HydrophobicContact CD-CG2 4.33Å; K55-T62 HydrophobicContact CG-CG2 4.15Å; K55-Y64 HydrophobicContact CB-CD1 4.06Å; K55-Y64 HydrophobicContact CB-CE1 3.74Å; K55-Y64 HydrophobicContact CD-CE1 4.25Å; K55-Y64 HydrophobicContact CG-CE1 3.98Å
56F98.7Very high98.2Very high0 Ų057.1 Ų57.10%032%0.322CS..EExtended strand (participates in β ladder)trans-129.6142.9-179.7-176.2-105.6000110.5Y4 T5 V6 L18 L22 D58 T62 L63 F69 L73Y4-F56 AromaticContact CD1-CE1 3.87Å; Y4-F56 HydrophobicContact CD1-CE1 3.87Å; Y4-F56 HydrophobicContact CD1-CE2 4.26Å; Y4-F56 AromaticContact CD1-CZ 3.33Å; Y4-F56 HydrophobicContact CD1-CZ 3.33Å; Y4-F56 HydrophobicContact CE1-CE1 4.39Å; Y4-F56 HydrophobicContact CE1-CZ 4.08Å; Y4-F56 HydrophobicContact CG-CE2 4.3Å; Y4-F56 AromaticContact CG-CZ 3.74Å; Y4-F56 HydrophobicContact CG-CZ 3.74Å; T5-F56 WeakPolarHBondContact O-CA 3.4Å; T5-F56 WeakPolarHBondContact O-CD2 3.37Å; V6-F56 HydrophobicContact CG2-CD2 4.01Å; V6-F56 HydrophobicContact CG2-CE2 4.11Å; L18-F56 HydrophobicContact CD1-CE2 4.46Å; L18-F56 HydrophobicContact CD2-CD2 3.96Å; L18-F56 HydrophobicContact CD2-CE2 4.16Å; L22-F56 HydrophobicContact CD1-CE2 4.43Å; F56-D58 HydrophobicContact CE1-CB 4.08Å; F56-T62 WeakPolarHBondContact O-CA 3.46Å; F56-L63 HydrophobicContact CD1-CD1 4.41Å; F56-L63 PolarHBondContact N-O 3.3Å; F56-L63 PolarHBondContact O-N 3.19Å; F56-F69 HydrophobicContact CB-CD1 3.61Å; F56-F69 HydrophobicContact CB-CD2 3.76Å; F56-F69 HydrophobicContact CB-CE1 3.53Å; F56-F69 HydrophobicContact CB-CE2 3.58Å; F56-F69 HydrophobicContact CB-CG 3.76Å; F56-F69 HydrophobicContact CB-CZ 3.49Å; F56-F69 VanDerWaalsContact CB-CZ 3.49Å; F56-F69 HydrophobicContact CD1-CD1 4.41Å; F56-F69 HydrophobicContact CG-CD1 4.25Å; F56-F69 HydrophobicContact CG-CD2 4.37Å; F56-F69 HydrophobicContact CG-CG 4.16Å; F56-L73 HydrophobicContact CE1-CD2 4.39Å; F56-L73 HydrophobicContact CZ-CD1 4.39Å; F56-L73 HydrophobicContact CZ-CD2 4.19Å
57Q98.4Very high98.2Very high50 Ų5054 Ų5423%0.23429%0.292CS..EExtended strand (participates in β ladder)trans-122.7136.2173.5-58.7-178.3-55.600110Y4 T5 L61Y4-Q57 CarbonylContact C-O 3.59Å; Y4-Q57 VanDerWaalsContact CA-O 3.23Å; Y4-Q57 WeakPolarHBondContact CA-O 3.4Å; T5-Q57 PolarHBondContact N-O 3.23Å; T5-Q57 PolarHBondContact O-N 3.07Å; Q57-L61 VanDerWaalsContact CA-O 3.31Å; Q57-L61 WeakPolarHBondContact CA-O 3.28Å
58D97.9Very high98.3Very high38 Ų3853.5 Ų53.520%0.20329%0.287CS..EExtended strand (participates in β ladder)trans-127.794.3169.3-179.75.4000107.5Y4 F56 D60 L61 H72Y4-D58 HydrophobicContact CD1-CB 3.96Å; Y4-D58 HydrophobicContact CE1-CB 3.93Å; Y4-D58 WeakPolarHBondContact CE1-OD1 3.3Å; F56-D58 HydrophobicContact CE1-CB 4.08Å; D58-D60 PolarHBondContact O-N 2.92Å; D58-L61 PolarHBondContact N-O 3.26Å; D58-L61 WeakPolarHBondContact O-CB 3.27Å; D58-L61 PolarHBondContact O-N 3.48Å; D58-H72 IonicContact OD2-CD2 2.87Å; D58-H72 IonicContact OD2-CE1 3.92Å; D58-H72 IonicContact OD2-NE2 2.79Å; D58-H72 PolarHBondContact OD2-NE2 3.24Å
59G95.8Very high98.3Very high57 Ų5753.2 Ų53.259%0.58829%0.285SS*.THydrogen-bonded Turntrans60.9-119.7-168.400000112.1P3P3-G59 PolarHBondContact O-N 3.05Å; P3-G59 VanDerWaalsContact O-N 3.1Å
60D96Very high98.3Very high162 Ų16247.9 Ų47.987%0.86626%0.257SS*.THydrogen-bonded Turntrans-86.8-13177.563.5-14.4000113.5D58 T62D58-D60 PolarHBondContact O-N 2.92Å; D60-T62 PolarHBondContact O-N 2.96Å
61L97.9Very high98.3Very high71 Ų7144 Ų4437%0.37224%0.241SC..EExtended strand (participates in β ladder)trans-76.2118.2177.1179.862.8000110.2Q57 D58 L63Q57-L61 VanDerWaalsContact CA-O 3.31Å; Q57-L61 WeakPolarHBondContact CA-O 3.28Å; D58-L61 PolarHBondContact N-O 3.26Å; D58-L61 WeakPolarHBondContact O-CB 3.27Å; D58-L61 PolarHBondContact O-N 3.48Å; L61-L63 HydrophobicContact CD1-CD2 3.87Å; L61-L63 HydrophobicContact CD1-CG 4.39Å; L61-L63 HydrophobicContact CD2-CD1 4.07Å; L61-L63 HydrophobicContact CD2-CD2 4.13Å; L61-L63 HydrophobicContact CD2-CG 4.13Å; L61-L63 HydrophobicContact CG-CD1 4.42Å; L61-L63 HydrophobicContact CG-CD2 3.96Å; L61-L63 HydrophobicContact CG-CG 3.94Å
62T98.4Very high98.3Very high57 Ų5744.4 Ų44.435%0.3524%0.239SC..EExtended strand (participates in β ladder)trans-105.4125171.5-62.70000110.2K55 F56 D60 Y64K55-T62 HydrophobicContact CD-CG2 4.33Å; K55-T62 HydrophobicContact CG-CG2 4.15Å; F56-T62 WeakPolarHBondContact O-CA 3.46Å; D60-T62 PolarHBondContact O-N 2.96Å; T62-Y64 HydrophobicContact CG2-CE2 4.07Å
63L98.7Very high98.3Very high29 Ų2938.8 Ų38.815%0.15221%0.213CC..EExtended strand (participates in β ladder)trans-118.1155-179.8-60176.2000111.4F56 L61 T68 F69 H72F56-L63 HydrophobicContact CD1-CD1 4.41Å; F56-L63 PolarHBondContact N-O 3.3Å; F56-L63 PolarHBondContact O-N 3.19Å; L61-L63 HydrophobicContact CD1-CD2 3.87Å; L61-L63 HydrophobicContact CD1-CG 4.39Å; L61-L63 HydrophobicContact CD2-CD1 4.07Å; L61-L63 HydrophobicContact CD2-CD2 4.13Å; L61-L63 HydrophobicContact CD2-CG 4.13Å; L61-L63 HydrophobicContact CG-CD1 4.42Å; L61-L63 HydrophobicContact CG-CD2 3.96Å; L61-L63 HydrophobicContact CG-CG 3.94Å; L63-T68 HydrophobicContact CD2-CG2 4.46Å; L63-F69 HydrophobicContact CB-CD1 3.7Å; L63-F69 HydrophobicContact CB-CE1 3.44Å; L63-F69 VanDerWaalsContact CB-CE1 3.44Å; L63-F69 HydrophobicContact CD1-CD1 4.37Å; L63-F69 WeakPolarHBondContact O-CE1 3.32Å; L63-F69 WeakPolarHBondContact O-CZ 3.4Å; L63-H72 HydrophobicContact CD1-CB 3.86Å
64Y98.7Very high98.3Very high35 Ų3538 Ų3814%0.13721%0.208CC..EExtended strand (participates in β ladder)trans-124.5170.2164.7-57.7-87.5000109.9S47 C48 L49 K55 T62 T68 F69S47-Y64 PolarHBondContact O-OH 2.59Å; C48-Y64 HydrophobicContact CB-CD1 4.29Å; C48-Y64 HydrophobicContact CB-CE1 3.68Å; L49-Y64 HydrophobicContact CB-CD2 3.38Å; L49-Y64 HydrophobicContact CB-CE2 3.59Å; L49-Y64 HydrophobicContact CB-CG 3.93Å; L49-Y64 HydrophobicContact CD2-CD2 4.14Å; L49-Y64 HydrophobicContact CG-CD2 4.42Å; K55-Y64 HydrophobicContact CB-CD1 4.06Å; K55-Y64 HydrophobicContact CB-CE1 3.74Å; K55-Y64 HydrophobicContact CD-CE1 4.25Å; K55-Y64 HydrophobicContact CG-CE1 3.98Å; T62-Y64 HydrophobicContact CG2-CE2 4.07Å; Y64-T68 WeakPolarHBondContact O-CB 3.22Å; Y64-F69 VanDerWaalsContact CA-CE1 3.46Å; Y64-F69 WeakPolarHBondContact O-CE1 3.26Å
65Q98.7Very high98.3Very high86 Ų8645.1 Ų45.140%0.40223%0.234SC..SBendtrans73.9117.1-174.9-58.8-77.3-3.300113.8Y50 N67 T68 F69Y50-Q65 HydrophobicContact CD2-CG 4.08Å; Y50-Q65 HydrophobicContact CE2-CG 3.79Å; Q65-N67 VanDerWaalsContact C-N 3.31Å; Q65-N67 PolarHBondContact O-N 3.17Å; Q65-T68 WeakPolarHBondContact CB-OG1 3.35Å; Q65-T68 WeakPolarHBondContact O-CA 3.1Å; Q65-T68 VanDerWaalsContact O-CB 3.3Å; Q65-T68 WeakPolarHBondContact O-CB 3.14Å; Q65-T68 PolarHBondContact O-N 2.88Å; Q65-F69 VanDerWaalsContact O-CD1 3.28Å; Q65-F69 WeakPolarHBondContact O-CD1 3.31Å; Q65-F69 WeakPolarHBondContact O-CE1 3.42Å; Q65-F69 PolarHBondContact O-N 3.39Å
66S98.7Very high98.3Very high7 Ų746.9 Ų46.95%0.04925%0.249CC..Hα-helixtrans-57.4-40.4-176.856.10000113.4R14 T68 F69 L70R14-S66 WeakPolarHBondContact O-CB 3.45Å; S66-T68 VanDerWaalsContact C-N 3.31Å; S66-T68 PolarHBondContact O-N 2.85Å; S66-F69 WeakPolarHBondContact O-CB 3.48Å; S66-F69 PolarHBondContact O-N 2.9Å; S66-L70 PolarHBondContact O-N 3.21Å; S66-L70 VanDerWaalsContact O-N 3.14Å
67N98.8Very high98.3Very high21 Ų2149 Ų4911%0.11226%0.26CS..Hα-helixtrans-70.8-27.1177.9-70.3-45.6000112.7Q65 F69 R71 N94 E98 N155Q65-N67 VanDerWaalsContact C-N 3.31Å; Q65-N67 PolarHBondContact O-N 3.17Å; N67-F69 VanDerWaalsContact C-N 3.33Å; N67-R71 WeakPolarHBondContact O-CB 3.42Å; N67-R71 WeakPolarHBondContact O-CG 3.37Å; N67-R71 PolarHBondContact O-N 3.21Å; N67-N94 PolarHBondContact OD1-ND2 3.47Å; N67-N94 VanDerWaalsContact OD1-ND2 3.12Å; N67-E98 VanDerWaalsContact ND2-CD 3.26Å; N67-E98 PolarHBondContact ND2-OE2 3.06Å; N67-N155 PolarHBondContact OD1-ND2 3.25Å
68T98.9Very high98.3Very high63 Ų6349 Ų4939%0.38727%0.273SS..Hα-helixtrans-66.5-37.3171-61.60000110.7L63 Y64 Q65 S66 R71 H72L63-T68 HydrophobicContact CD2-CG2 4.46Å; Y64-T68 WeakPolarHBondContact O-CB 3.22Å; Q65-T68 WeakPolarHBondContact CB-OG1 3.35Å; Q65-T68 WeakPolarHBondContact O-CA 3.1Å; Q65-T68 VanDerWaalsContact O-CB 3.3Å; Q65-T68 WeakPolarHBondContact O-CB 3.14Å; Q65-T68 PolarHBondContact O-N 2.88Å; S66-T68 VanDerWaalsContact C-N 3.31Å; S66-T68 PolarHBondContact O-N 2.85Å; T68-R71 PolarHBondContact O-N 2.83Å; T68-H72 VanDerWaalsContact O-CB 3.26Å; T68-H72 WeakPolarHBondContact O-CB 3.34Å; T68-H72 PolarHBondContact O-N 2.79Å
69F98.5Very high98.3Very high1 Ų147.5 Ų47.50%0.00427%0.265CS..Hα-helixtrans-65.7-46.8176.7-49.3-20.6000111.4L18 P54 F56 L63 Y64 Q65 S66 N67 R71 H72 L73L18-F69 HydrophobicContact CD1-CB 4.24Å; L18-F69 HydrophobicContact CD2-CB 4.23Å; L18-F69 HydrophobicContact CD2-CD2 3.92Å; P54-F69 HydrophobicContact CB-CE2 3.69Å; P54-F69 HydrophobicContact CB-CZ 4.45Å; P54-F69 HydrophobicContact CG-CD2 4.23Å; P54-F69 HydrophobicContact CG-CE2 3.48Å; P54-F69 VanDerWaalsContact CG-CE2 3.48Å; P54-F69 HydrophobicContact CG-CZ 4.27Å; P54-F69 VanDerWaalsContact O-CZ 3.32Å; P54-F69 WeakPolarHBondContact O-CZ 3.28Å; F56-F69 HydrophobicContact CB-CD1 3.61Å; F56-F69 HydrophobicContact CB-CD2 3.76Å; F56-F69 HydrophobicContact CB-CE1 3.53Å; F56-F69 HydrophobicContact CB-CE2 3.58Å; F56-F69 HydrophobicContact CB-CG 3.76Å; F56-F69 HydrophobicContact CB-CZ 3.49Å; F56-F69 VanDerWaalsContact CB-CZ 3.49Å; F56-F69 HydrophobicContact CD1-CD1 4.41Å; F56-F69 HydrophobicContact CG-CD1 4.25Å; F56-F69 HydrophobicContact CG-CD2 4.37Å; F56-F69 HydrophobicContact CG-CG 4.16Å; L63-F69 HydrophobicContact CB-CD1 3.7Å; L63-F69 HydrophobicContact CB-CE1 3.44Å; L63-F69 VanDerWaalsContact CB-CE1 3.44Å; L63-F69 HydrophobicContact CD1-CD1 4.37Å; L63-F69 WeakPolarHBondContact O-CE1 3.32Å; L63-F69 WeakPolarHBondContact O-CZ 3.4Å; Y64-F69 VanDerWaalsContact CA-CE1 3.46Å; Y64-F69 WeakPolarHBondContact O-CE1 3.26Å; Q65-F69 VanDerWaalsContact O-CD1 3.28Å; Q65-F69 WeakPolarHBondContact O-CD1 3.31Å; Q65-F69 WeakPolarHBondContact O-CE1 3.42Å; Q65-F69 PolarHBondContact O-N 3.39Å; S66-F69 WeakPolarHBondContact O-CB 3.48Å; S66-F69 PolarHBondContact O-N 2.9Å; N67-F69 VanDerWaalsContact C-N 3.33Å; F69-R71 VanDerWaalsContact C-N 3.34Å; F69-R71 PolarHBondContact O-N 3.49Å; F69-H72 WeakPolarHBondContact O-CB 3.46Å; F69-H72 PolarHBondContact O-N 3.27Å; F69-L73 PolarHBondContact O-N 2.96Å
70L98.9Very high98.5Very high3 Ų346.3 Ų46.32%0.01624%0.243CC..Hα-helixtrans-59-45.7177.5-69.9174.5000111.3A17 L18 L21 S66 G74 F151 N155A17-L70 HydrophobicContact CB-CD1 4.23Å; A17-L70 HydrophobicContact CB-CD2 4.11Å; L18-L70 HydrophobicContact CB-CD2 4.29Å; L21-L70 HydrophobicContact CD1-CD2 4.16Å; S66-L70 PolarHBondContact O-N 3.21Å; S66-L70 VanDerWaalsContact O-N 3.14Å; L70-G74 WeakPolarHBondContact O-CA 3.46Å; L70-G74 PolarHBondContact O-N 3.45Å; L70-F151 HydrophobicContact CB-CB 4.24Å; L70-F151 HydrophobicContact CB-CD2 3.72Å; L70-F151 HydrophobicContact CB-CE2 4.49Å; L70-F151 HydrophobicContact CB-CG 4.26Å; L70-F151 WeakPolarHBondContact O-CB 3.32Å; L70-N155 HydrophobicContact CD1-CB 3.96Å
71R98.9Very high98.6Very high49 Ų4940 Ų4019%0.18522%0.216CC..Hα-helixtrans-67.1-37.2176.4-74.3179.8165.9101.2-2112.9N67 T68 F69 R75 Y80 D91 D95 F151N67-R71 WeakPolarHBondContact O-CB 3.42Å; N67-R71 WeakPolarHBondContact O-CG 3.37Å; N67-R71 PolarHBondContact O-N 3.21Å; T68-R71 PolarHBondContact O-N 2.83Å; F69-R71 VanDerWaalsContact C-N 3.34Å; F69-R71 PolarHBondContact O-N 3.49Å; R71-R75 WeakPolarHBondContact O-CB 3.31Å; R71-R75 PolarHBondContact O-N 2.95Å; R71-Y80 HydrophobicContact CB-CE2 3.9Å; R71-Y80 WeakPolarHBondContact CD-OH 3.33Å; R71-Y80 HydrophobicContact CG-CE2 3.97Å; R71-Y80 WeakPolarHBondContact CG-OH 3.38Å; R71-Y80 PolarHBondContact NE-OH 2.71Å; R71-D91 IonicContact CZ-OD1 3.49Å; R71-D91 IonicContact NE-OD1 2.73Å; R71-D91 PolarHBondContact NE-OD1 3.38Å; R71-D91 IonicContact NH2-OD1 3.54Å; R71-D91 PolarHBondContact NH2-OD1 3.43Å; R71-D95 IonicContact CZ-OD1 2.74Å; R71-D95 IonicContact NH1-OD1 3.79Å; R71-D95 IonicContact NH2-OD1 3.62Å; R71-D95 PolarHBondContact NH2-OD1 3.28Å; R71-D95 IonicContact NH2-OD2 2.77Å; R71-F151 HydrophobicContact CG-CE1 4.13Å; R71-F151 HydrophobicContact CG-CE2 3.77Å; R71-F151 HydrophobicContact CG-CZ 3.55Å
72H98.7Very high98.6Very high26 Ų2643 Ų4312%0.1223%0.226CC..Hα-helixtrans-60.4-55.8174.817766.4000110.9D58 L63 T68 F69 G74 R75 T76D58-H72 IonicContact OD2-CD2 2.87Å; D58-H72 IonicContact OD2-CE1 3.92Å; D58-H72 IonicContact OD2-NE2 2.79Å; D58-H72 PolarHBondContact OD2-NE2 3.24Å; L63-H72 HydrophobicContact CD1-CB 3.86Å; T68-H72 VanDerWaalsContact O-CB 3.26Å; T68-H72 WeakPolarHBondContact O-CB 3.34Å; T68-H72 PolarHBondContact O-N 2.79Å; F69-H72 WeakPolarHBondContact O-CB 3.46Å; F69-H72 PolarHBondContact O-N 3.27Å; H72-G74 VanDerWaalsContact C-N 3.32Å; H72-G74 PolarHBondContact O-N 3.01Å; H72-R75 WeakPolarHBondContact O-CB 3.33Å; H72-R75 PolarHBondContact O-N 3.32Å; H72-R75 VanDerWaalsContact O-N 3.1Å; H72-T76 PolarHBondContact O-N 2.97Å; H72-T76 PolarHBondContact O-OG1 3.12Å
73L98.6Very high98.6Very high0 Ų043.9 Ų43.90%023%0.229CC..Hα-helixtrans-65.3-35.9177.4-65.7-173.6000112.6Y4 L18 L21 L22 F56 F69 R75 T76 L77Y4-L73 HydrophobicContact CD1-CD2 4.47Å; Y4-L73 HydrophobicContact CE1-CD2 3.8Å; Y4-L73 HydrophobicContact CE2-CD2 4.48Å; L18-L73 HydrophobicContact CD1-CD1 3.21Å; L18-L73 HydrophobicContact CD1-CG 4.29Å; L21-L73 HydrophobicContact CD1-CB 4.3Å; L21-L73 HydrophobicContact CD2-CB 3.98Å; L21-L73 HydrophobicContact CD2-CD1 3.8Å; L22-L73 HydrophobicContact CD1-CD1 4.46Å; L22-L73 HydrophobicContact CD2-CD1 3.56Å; L22-L73 HydrophobicContact CD2-CD2 4.48Å; L22-L73 HydrophobicContact CG-CD1 3.84Å; F56-L73 HydrophobicContact CE1-CD2 4.39Å; F56-L73 HydrophobicContact CZ-CD1 4.39Å; F56-L73 HydrophobicContact CZ-CD2 4.19Å; F69-L73 PolarHBondContact O-N 2.96Å; L73-R75 PolarHBondContact O-N 2.75Å; L73-T76 PolarHBondContact O-N 3.19Å; L73-L77 HydrophobicContact CB-CD1 4.27Å; L73-L77 HydrophobicContact CD2-CD1 4.43Å; L73-L77 VanDerWaalsContact O-CB 3.22Å; L73-L77 WeakPolarHBondContact O-CB 3.32Å; L73-L77 WeakPolarHBondContact O-CG 3.45Å; L73-L77 PolarHBondContact O-N 3.16Å
74G98.7Very high98.6Very high0 Ų051.1 Ų51.10%026%0.261CS..Hα-helixtrans-56.8-39.5172.800000111.8L70 H72 G78 L79L70-G74 WeakPolarHBondContact O-CA 3.46Å; L70-G74 PolarHBondContact O-N 3.45Å; H72-G74 VanDerWaalsContact C-N 3.32Å; H72-G74 PolarHBondContact O-N 3.01Å; G74-G78 PolarHBondContact O-N 3.31Å; G74-L79 CarbonylContact O-C 3.49Å; G74-L79 PolarHBondContact O-N 2.73Å
75R98.7Very high98.6Very high155 Ų15559 Ų5959%0.58529%0.291SS*.Hα-helixtrans-75.6-45.3178.2-167.2-180-57.9964.8112.6R71 H72 L73 Y80R71-R75 WeakPolarHBondContact O-CB 3.31Å; R71-R75 PolarHBondContact O-N 2.95Å; H72-R75 WeakPolarHBondContact O-CB 3.33Å; H72-R75 PolarHBondContact O-N 3.32Å; H72-R75 VanDerWaalsContact O-N 3.1Å; L73-R75 PolarHBondContact O-N 2.75Å; R75-Y80 HydrophobicContact CB-CD2 4.27Å
76T97.9Very high98.6Very high75 Ų7555.9 Ų55.946%0.4628%0.277SS..Hα-helixtrans-78-24-174.457.20000113.5H72 L73H72-T76 PolarHBondContact O-N 2.97Å; H72-T76 PolarHBondContact O-OG1 3.12Å; L73-T76 PolarHBondContact O-N 3.19Å
77L98.2Very high98.6Very high44 Ų4456.6 Ų56.623%0.2328%0.283CS..THydrogen-bonded Turntrans-105.34.5179.6-55.1178000113.6L21 Q25 Q27 L73 L79L21-L77 HydrophobicContact CD2-CD1 3.94Å; Q25-L77 HydrophobicContact CB-CD1 4.3Å; Q25-L77 HydrophobicContact CG-CD1 4.35Å; Q27-L77 HydrophobicContact CG-CD1 4.04Å; L73-L77 HydrophobicContact CB-CD1 4.27Å; L73-L77 HydrophobicContact CD2-CD1 4.43Å; L73-L77 VanDerWaalsContact O-CB 3.22Å; L73-L77 WeakPolarHBondContact O-CB 3.32Å; L73-L77 WeakPolarHBondContact O-CG 3.45Å; L73-L77 PolarHBondContact O-N 3.16Å; L77-L79 HydrophobicContact CB-CD1 4.03Å; L77-L79 HydrophobicContact CB-CG 4.03Å
78G98.2Very high98.6Very high49 Ų4958.3 Ų58.351%0.50530%0.3SS..THydrogen-bonded Turntrans72.636.2176.800000114.7G74G74-G78 PolarHBondContact O-N 3.31Å
79L98.8Very high98.6Very high8 Ų858.5 Ų58.54%0.04230%0.298CS..  trans-114.540.3-177.7-36.2169.2000111.1L21 Q25 G74 L77 I149 S150 F151 Y154L21-L79 HydrophobicContact CD1-CD1 4.09Å; L21-L79 HydrophobicContact CD2-CD1 3.93Å; L21-L79 HydrophobicContact CG-CD1 3.91Å; Q25-L79 HydrophobicContact CG-CD1 3.82Å; G74-L79 CarbonylContact O-C 3.49Å; G74-L79 PolarHBondContact O-N 2.73Å; L77-L79 HydrophobicContact CB-CD1 4.03Å; L77-L79 HydrophobicContact CB-CG 4.03Å; L79-I149 HydrophobicContact CD2-CG2 4.05Å; L79-S150 CarbonylContact O-C 3.48Å; L79-S150 WeakPolarHBondContact O-CA 3.33Å; L79-S150 WeakPolarHBondContact O-CB 3.3Å; L79-F151 WeakPolarHBondContact O-CD1 3.47Å; L79-F151 PolarHBondContact O-N 2.83Å; L79-Y154 HydrophobicContact CD1-CE2 4.26Å
80Y98.8Very high98.6Very high31 Ų3158.5 Ų58.512%0.12230%0.298CS..SBendtrans-129.731.1-173.6-139.6-47.3000112.4R71 R75 A87 V90 D91 F151R71-Y80 HydrophobicContact CB-CE2 3.9Å; R71-Y80 WeakPolarHBondContact CD-OH 3.33Å; R71-Y80 HydrophobicContact CG-CE2 3.97Å; R71-Y80 WeakPolarHBondContact CG-OH 3.38Å; R71-Y80 PolarHBondContact NE-OH 2.71Å; R75-Y80 HydrophobicContact CB-CD2 4.27Å; Y80-A87 HydrophobicContact CD1-CB 3.79Å; Y80-A87 HydrophobicContact CE1-CB 4.13Å; Y80-A87 WeakPolarHBondContact O-CA 3.41Å; Y80-A87 WeakPolarHBondContact O-CB 3.3Å; Y80-V90 HydrophobicContact CD1-CB 4.45Å; Y80-V90 HydrophobicContact CD1-CG1 4.27Å; Y80-V90 HydrophobicContact CE1-CG1 4.44Å; Y80-D91 VanDerWaalsContact OH-CG 3.31Å; Y80-D91 PolarHBondContact OH-OD1 3.05Å; Y80-D91 PolarHBondContact OH-OD2 3.08Å; Y80-F151 HydrophobicContact CD1-CD1 4.47Å; Y80-F151 AromaticContact CD1-CE1 3.66Å; Y80-F151 HydrophobicContact CD1-CE1 3.66Å; Y80-F151 HydrophobicContact CD2-CD1 4.04Å; Y80-F151 AromaticContact CD2-CE1 3.65Å; Y80-F151 HydrophobicContact CD2-CE1 3.65Å; Y80-F151 AromaticContact CE1-CE1 3.51Å; Y80-F151 HydrophobicContact CE1-CE1 3.51Å; Y80-F151 HydrophobicContact CE1-CZ 4.01Å; Y80-F151 HydrophobicContact CE2-CD1 4.22Å; Y80-F151 AromaticContact CE2-CE1 3.5Å; Y80-F151 HydrophobicContact CE2-CE1 3.5Å; Y80-F151 VanDerWaalsContact CE2-CE1 3.5Å; Y80-F151 HydrophobicContact CE2-CZ 4.16Å; Y80-F151 HydrophobicContact CG-CD1 4.18Å; Y80-F151 AromaticContact CG-CE1 3.74Å; Y80-F151 HydrophobicContact CG-CE1 3.74Å; Y80-F151 AromaticContact CZ-CE1 3.42Å; Y80-F151 VanDerWaalsContact CZ-CE1 3.42Å; Y80-F151 AromaticContact CZ-CZ 3.78Å
81G98.5Very high98.6Very high29 Ų2960.4 Ų60.430%0.29931%0.308SS..  trans73.8165.9-173.900000113
82K98.2Very high98.6Very high135 Ų13563 Ų6359%0.58732%0.324SS*.SBendtrans-83.8-17.9-174.978.8-161.8179.7-145.30114.7E86K82-E86 WeakPolarHBondContact CD-OE1 3.44Å; K82-E86 WeakPolarHBondContact CE-OE1 3.46Å; K82-E86 HydrophobicContact CG-CG 4.42Å; K82-E86 WeakPolarHBondContact CG-OE2 3.49Å; K82-E86 PolarHBondContact N-OE2 3.45Å; K82-E86 IonicContact NZ-OE1 2.71Å; K82-E86 PolarHBondContact NZ-OE1 3.41Å
83D98.5Very high98.6Very high76 Ų7661.8 Ų61.841%0.40632%0.319SS..SBendtrans-150.9177.2-177.963.136.5000111.1R85 E86 A87D83-R85 PolarHBondContact O-N 3.17Å; D83-R85 WeakPolarHBondContact OD1-CA 3.29Å; D83-R85 VanDerWaalsContact OD1-CB 3.3Å; D83-R85 WeakPolarHBondContact OD1-CB 3.39Å; D83-R85 PolarHBondContact OD1-N 3.01Å; D83-E86 PolarHBondContact O-N 3.35Å; D83-E86 PolarHBondContact OD1-N 3.4Å; D83-A87 WeakPolarHBondContact O-CB 3.4Å; D83-A87 PolarHBondContact O-N 3.43Å
84Q98.5Very high98.6Very high180 Ų18061.8 Ų61.884%0.84132%0.319SS*.Hα-helixtrans-61.9-28.3-179.6-68.7180-1500113.3A88Q84-A88 PolarHBondContact O-N 2.89Å; Q84-A88 VanDerWaalsContact O-N 3.09Å
85R98.4Very high98.6Very high200 Ų20065.5 Ų65.576%0.75534%0.338SS*.Hα-helixtrans-73.5-46.7179.4179.3-178.8178.5177.8-0.5110.1D83 A87 A88 L89D83-R85 PolarHBondContact O-N 3.17Å; D83-R85 WeakPolarHBondContact OD1-CA 3.29Å; D83-R85 VanDerWaalsContact OD1-CB 3.3Å; D83-R85 WeakPolarHBondContact OD1-CB 3.39Å; D83-R85 PolarHBondContact OD1-N 3.01Å; R85-A87 VanDerWaalsContact C-N 3.33Å; R85-A88 PolarHBondContact O-N 3.48Å; R85-L89 WeakPolarHBondContact O-CG 3.39Å; R85-L89 PolarHBondContact O-N 3.26Å; R85-L89 VanDerWaalsContact O-N 3.13Å
86E98.7Very high98.6Very high22 Ų2259.5 Ų59.510%0.10332%0.324CS..Hα-helixtrans-64.7-38.7174-72.5-170.8-179.100111.5K82 D83 A88 L89 V90 V145K82-E86 WeakPolarHBondContact CD-OE1 3.44Å; K82-E86 WeakPolarHBondContact CE-OE1 3.46Å; K82-E86 HydrophobicContact CG-CG 4.42Å; K82-E86 WeakPolarHBondContact CG-OE2 3.49Å; K82-E86 PolarHBondContact N-OE2 3.45Å; K82-E86 IonicContact NZ-OE1 2.71Å; K82-E86 PolarHBondContact NZ-OE1 3.41Å; D83-E86 PolarHBondContact O-N 3.35Å; D83-E86 PolarHBondContact OD1-N 3.4Å; E86-A88 VanDerWaalsContact C-N 3.31Å; E86-A88 PolarHBondContact O-N 3.43Å; E86-L89 WeakPolarHBondContact O-CB 3.43Å; E86-L89 PolarHBondContact O-N 2.93Å; E86-L89 VanDerWaalsContact O-N 3.11Å; E86-V90 VanDerWaalsContact O-CG2 3.32Å; E86-V90 WeakPolarHBondContact O-CG2 3.42Å; E86-V90 PolarHBondContact O-N 3.49Å; E86-V145 HydrophobicContact CB-CG1 4.07Å; E86-V145 HydrophobicContact CG-CG1 4.18Å
87A98.8Very high98.7Very high21 Ų2155.9 Ų55.917%0.17430%0.302CS..Hα-helixtrans-57.5-43.7174.400000112.2Y80 D83 R85 L89 V90 D91Y80-A87 HydrophobicContact CD1-CB 3.79Å; Y80-A87 HydrophobicContact CE1-CB 4.13Å; Y80-A87 WeakPolarHBondContact O-CA 3.41Å; Y80-A87 WeakPolarHBondContact O-CB 3.3Å; D83-A87 WeakPolarHBondContact O-CB 3.4Å; D83-A87 PolarHBondContact O-N 3.43Å; R85-A87 VanDerWaalsContact C-N 3.33Å; A87-L89 VanDerWaalsContact C-N 3.34Å; A87-L89 PolarHBondContact O-N 3.4Å; A87-V90 PolarHBondContact O-N 3.24Å; A87-D91 PolarHBondContact O-N 2.98Å
88A98.8Very high98.7Very high58 Ų5855.3 Ų55.348%0.47930%0.299SS..Hα-helixtrans-63.7-37.8175.600000112.7Q84 R85 E86 D91 M92Q84-A88 PolarHBondContact O-N 2.89Å; Q84-A88 VanDerWaalsContact O-N 3.09Å; R85-A88 PolarHBondContact O-N 3.48Å; E86-A88 VanDerWaalsContact C-N 3.31Å; E86-A88 PolarHBondContact O-N 3.43Å; A88-D91 PolarHBondContact O-N 3.4Å; A88-M92 WeakPolarHBondContact O-CB 3.41Å; A88-M92 PolarHBondContact O-N 3.22Å
89L98.8Very high98.7Very high67 Ų6758.2 Ų58.235%0.35130%0.302SS..Hα-helixtrans-66.5-43174-66.1175.2000111.3R85 E86 A87 D91 M92 V93 V145R85-L89 WeakPolarHBondContact O-CG 3.39Å; R85-L89 PolarHBondContact O-N 3.26Å; R85-L89 VanDerWaalsContact O-N 3.13Å; E86-L89 WeakPolarHBondContact O-CB 3.43Å; E86-L89 PolarHBondContact O-N 2.93Å; E86-L89 VanDerWaalsContact O-N 3.11Å; A87-L89 VanDerWaalsContact C-N 3.34Å; A87-L89 PolarHBondContact O-N 3.4Å; L89-D91 VanDerWaalsContact C-N 3.31Å; L89-D91 PolarHBondContact O-N 3.16Å; L89-M92 HydrophobicContact CD2-CE 3.76Å; L89-M92 WeakPolarHBondContact O-CB 3.48Å; L89-M92 PolarHBondContact O-N 3.37Å; L89-V93 WeakPolarHBondContact O-CG2 3.21Å; L89-V93 PolarHBondContact O-N 3.19Å; L89-V145 HydrophobicContact CB-CG1 3.8Å; L89-V145 HydrophobicContact CB-CG2 3.81Å; L89-V145 HydrophobicContact CD1-CG1 4.23Å
90V98.9Very high98.7Very high1 Ų158 Ų581%0.00630%0.301CS..Hα-helixtrans-59-43.7176.2172.10000110.6Y80 E86 A87 V93 N94 V145 F151 A152Y80-V90 HydrophobicContact CD1-CB 4.45Å; Y80-V90 HydrophobicContact CD1-CG1 4.27Å; Y80-V90 HydrophobicContact CE1-CG1 4.44Å; E86-V90 VanDerWaalsContact O-CG2 3.32Å; E86-V90 WeakPolarHBondContact O-CG2 3.42Å; E86-V90 PolarHBondContact O-N 3.49Å; A87-V90 PolarHBondContact O-N 3.24Å; V90-V93 PolarHBondContact O-N 2.91Å; V90-N94 PolarHBondContact O-N 2.92Å; V90-V145 HydrophobicContact CG2-CB 3.88Å; V90-V145 HydrophobicContact CG2-CG1 3.97Å; V90-V145 HydrophobicContact CG2-CG2 4.15Å; V90-F151 HydrophobicContact CG1-CD1 3.82Å; V90-F151 HydrophobicContact CG1-CE1 3.25Å; V90-F151 HydrophobicContact CG1-CE2 4.33Å; V90-F151 HydrophobicContact CG1-CZ 3.57Å; V90-A152 HydrophobicContact CG1-CB 3.81Å
91D98.9Very high98.7Very high42 Ų4256.9 Ų56.923%0.22530%0.297CS..Hα-helixtrans-61.2-47.2174.8-80.9-40000112.1R71 Y80 A87 A88 L89 V93 N94 D95R71-D91 IonicContact CZ-OD1 3.49Å; R71-D91 IonicContact NE-OD1 2.73Å; R71-D91 PolarHBondContact NE-OD1 3.38Å; R71-D91 IonicContact NH2-OD1 3.54Å; R71-D91 PolarHBondContact NH2-OD1 3.43Å; Y80-D91 VanDerWaalsContact OH-CG 3.31Å; Y80-D91 PolarHBondContact OH-OD1 3.05Å; Y80-D91 PolarHBondContact OH-OD2 3.08Å; A87-D91 PolarHBondContact O-N 2.98Å; A88-D91 PolarHBondContact O-N 3.4Å; L89-D91 VanDerWaalsContact C-N 3.31Å; L89-D91 PolarHBondContact O-N 3.16Å; D91-V93 VanDerWaalsContact C-N 3.29Å; D91-V93 PolarHBondContact O-N 2.58Å; D91-N94 PolarHBondContact O-N 2.97Å; D91-N94 VanDerWaalsContact O-N 3.14Å; D91-D95 WeakPolarHBondContact O-CB 3.48Å; D91-D95 VanDerWaalsContact O-CG 3.28Å; D91-D95 PolarHBondContact O-N 3.19Å
92M98.9Very high98.8Very high103 Ų10358.2 Ų58.251%0.50730%0.301SS..Hα-helixtrans-57.2-41.8177-178.4-178.569.300112.1A88 L89 G96 L133A88-M92 WeakPolarHBondContact O-CB 3.41Å; A88-M92 PolarHBondContact O-N 3.22Å; L89-M92 HydrophobicContact CD2-CE 3.76Å; L89-M92 WeakPolarHBondContact O-CB 3.48Å; L89-M92 PolarHBondContact O-N 3.37Å; M92-G96 PolarHBondContact O-N 2.86Å; M92-L133 HydrophobicContact CE-CD2 4.02Å
93V98.9Very high98.8Very high2 Ų256.4 Ų56.41%0.01229%0.293CS..Hα-helixtrans-63.6-50.2174.9176.60000110.8L89 V90 D91 D95 G96 V97 L133 I144 V145 A152L89-V93 WeakPolarHBondContact O-CG2 3.21Å; L89-V93 PolarHBondContact O-N 3.19Å; V90-V93 PolarHBondContact O-N 2.91Å; D91-V93 VanDerWaalsContact C-N 3.29Å; D91-V93 PolarHBondContact O-N 2.58Å; V93-D95 VanDerWaalsContact C-N 3.28Å; V93-D95 PolarHBondContact O-N 2.95Å; V93-G96 PolarHBondContact O-N 2.7Å; V93-V97 HydrophobicContact CG1-CG2 4.41Å; V93-V97 WeakPolarHBondContact O-CG2 3.32Å; V93-V97 PolarHBondContact O-N 3.01Å; V93-L133 HydrophobicContact CG2-CD1 3.74Å; V93-I144 HydrophobicContact CB-CG1 4.49Å; V93-I144 HydrophobicContact CG1-CB 4.5Å; V93-I144 HydrophobicContact CG1-CG1 3.72Å; V93-I144 HydrophobicContact CG1-CG2 4Å; V93-I144 HydrophobicContact CG2-CG1 3.96Å; V93-I144 HydrophobicContact CG2-CG2 4.43Å; V93-V145 HydrophobicContact CG2-CG2 3.88Å; V93-A152 HydrophobicContact CB-CB 4.2Å; V93-A152 HydrophobicContact CG1-CB 4.05Å
94N98.9Very high98.8Very high0 Ų052.9 Ų52.90%027%0.274CS..Hα-helixtrans-64.3-35.6-175.2-169.887.2000112.3N67 V90 D91 V97 E98 F151 A152 N155N67-N94 PolarHBondContact OD1-ND2 3.47Å; N67-N94 VanDerWaalsContact OD1-ND2 3.12Å; V90-N94 PolarHBondContact O-N 2.92Å; D91-N94 PolarHBondContact O-N 2.97Å; D91-N94 VanDerWaalsContact O-N 3.14Å; N94-V97 WeakPolarHBondContact O-CB 3.33Å; N94-V97 PolarHBondContact O-N 3.4Å; N94-E98 PolarHBondContact O-N 2.89Å; N94-F151 HydrophobicContact CB-CE2 3.68Å; N94-F151 HydrophobicContact CB-CZ 4.33Å; N94-A152 HydrophobicContact CB-CB 4.1Å; N94-N155 PolarHBondContact OD1-ND2 2.91Å
95D98.9Very high98.8Very high78 Ų7846 Ų4642%0.41724%0.243SC..Hα-helixtrans-69.6-38.2177.4-66.2-7.1000110.8R71 D91 V93 V97 E98 D99R71-D95 IonicContact CZ-OD1 2.74Å; R71-D95 IonicContact NH1-OD1 3.79Å; R71-D95 IonicContact NH2-OD1 3.62Å; R71-D95 PolarHBondContact NH2-OD1 3.28Å; R71-D95 IonicContact NH2-OD2 2.77Å; D91-D95 WeakPolarHBondContact O-CB 3.48Å; D91-D95 VanDerWaalsContact O-CG 3.28Å; D91-D95 PolarHBondContact O-N 3.19Å; V93-D95 VanDerWaalsContact C-N 3.28Å; V93-D95 PolarHBondContact O-N 2.95Å; D95-V97 VanDerWaalsContact C-N 3.34Å; D95-V97 PolarHBondContact O-N 3.24Å; D95-E98 PolarHBondContact O-N 3.09Å; D95-D99 PolarHBondContact O-N 3.05Å
96G98.8Very high98.8Very high28 Ų2839.6 Ų39.629%0.28923%0.228SC..Hα-helixtrans-63.1-37.5170.300000113.5M92 V93 L100M92-G96 PolarHBondContact O-N 2.86Å; V93-G96 PolarHBondContact O-N 2.7Å; G96-L100 PolarHBondContact O-N 3.38Å
97V98.9Very high98.8Very high0 Ų038.9 Ų38.90%023%0.225CC..Hα-helixtrans-62.7-44172166.80000110.9V93 N94 D95 L100 R101 F130 N155 L156 L159V93-V97 HydrophobicContact CG1-CG2 4.41Å; V93-V97 WeakPolarHBondContact O-CG2 3.32Å; V93-V97 PolarHBondContact O-N 3.01Å; N94-V97 WeakPolarHBondContact O-CB 3.33Å; N94-V97 PolarHBondContact O-N 3.4Å; D95-V97 VanDerWaalsContact C-N 3.34Å; D95-V97 PolarHBondContact O-N 3.24Å; V97-L100 PolarHBondContact O-N 3.15Å; V97-R101 VanDerWaalsContact O-CB 3.26Å; V97-R101 WeakPolarHBondContact O-CB 3.02Å; V97-R101 PolarHBondContact O-N 2.82Å; V97-F130 HydrophobicContact CG2-CE1 3.73Å; V97-F130 HydrophobicContact CG2-CZ 3.99Å; V97-N155 HydrophobicContact CG1-CB 4.05Å; V97-N155 VanDerWaalsContact CG1-CG 3.42Å; V97-N155 WeakPolarHBondContact CG1-OD1 3.31Å; V97-L156 HydrophobicContact CG2-CB 3.85Å; V97-L156 HydrophobicContact CG2-CD1 3.92Å; V97-L156 HydrophobicContact CG2-CG 4.46Å; V97-L159 HydrophobicContact CB-CD2 4.35Å; V97-L159 HydrophobicContact CG1-CB 4.23Å; V97-L159 HydrophobicContact CG1-CD2 4.08Å; V97-L159 HydrophobicContact CG2-CD2 4.25Å
98E98.9Very high98.8Very high32 Ų3237.9 Ų37.915%0.1522%0.217CC..Hα-helixtrans-64-40.6179.4179.758.4-155.800112.2R14 N67 N94 D95 L100 R101 C102R14-E98 IonicContact CZ-OE1 3.55Å; R14-E98 IonicContact CZ-OE2 3.61Å; R14-E98 VanDerWaalsContact NH1-CD 3.27Å; R14-E98 IonicContact NH1-OE1 2.82Å; R14-E98 PolarHBondContact NH1-OE1 3.41Å; R14-E98 IonicContact NH1-OE2 2.77Å; R14-E98 PolarHBondContact NH1-OE2 3.4Å; R14-E98 IonicContact NH2-OE1 3.21Å; R14-E98 PolarHBondContact NH2-OE1 3.11Å; N67-E98 VanDerWaalsContact ND2-CD 3.26Å; N67-E98 PolarHBondContact ND2-OE2 3.06Å; N94-E98 PolarHBondContact O-N 2.89Å; D95-E98 PolarHBondContact O-N 3.09Å; E98-L100 PolarHBondContact O-N 2.92Å; E98-R101 PolarHBondContact O-N 2.86Å; E98-C102 WeakPolarHBondContact O-CB 3.3Å; E98-C102 PolarHBondContact O-N 3.34Å; E98-C102 PolarHBondContact O-SG 3.19Å; E98-C102 PolarHBondContact OE1-SG 3.44Å
99D98.8Very high98.8Very high109 Ų10940.4 Ų40.458%0.58322%0.215SC*.Hα-helixtrans-59.6-47.7176.6-83.4-6.8000111.7D95 C102 K103D95-D99 PolarHBondContact O-N 3.05Å; D99-C102 PolarHBondContact O-N 3.39Å; D99-K103 WeakPolarHBondContact O-CG 3.42Å; D99-K103 PolarHBondContact O-N 3.42Å
100L98.8Very high98.8Very high3 Ų342.2 Ų42.22%0.01623%0.229CC..Hα-helixtrans-69.1-36.4178-174.653.5000111.6G96 V97 E98 C102 K103 Y104 L123 Q126 L127 F130 L159G96-L100 PolarHBondContact O-N 3.38Å; V97-L100 PolarHBondContact O-N 3.15Å; E98-L100 PolarHBondContact O-N 2.92Å; L100-C102 VanDerWaalsContact C-N 3.34Å; L100-C102 PolarHBondContact O-N 3.05Å; L100-K103 HydrophobicContact CD1-CB 4.5Å; L100-K103 HydrophobicContact CD1-CD 4.34Å; L100-K103 WeakPolarHBondContact O-CB 3.45Å; L100-K103 PolarHBondContact O-N 3.11Å; L100-Y104 PolarHBondContact O-N 3.45Å; L100-L123 HydrophobicContact CD2-CD1 4.41Å; L100-Q126 HydrophobicContact CD1-CB 3.73Å; L100-Q126 HydrophobicContact CD1-CG 3.91Å; L100-Q126 HydrophobicContact CD2-CB 3.83Å; L100-Q126 HydrophobicContact CG-CB 4.42Å; L100-L127 HydrophobicContact CD2-CD2 3.97Å; L100-F130 HydrophobicContact CD2-CE2 4.28Å; L100-L159 HydrophobicContact CB-CD1 4.43Å; L100-L159 HydrophobicContact CB-CD2 4.17Å; L100-L159 HydrophobicContact CD2-CD2 3.9Å; L100-L159 HydrophobicContact CD2-CG 4.49Å; L100-L159 HydrophobicContact CG-CD1 4.34Å; L100-L159 HydrophobicContact CG-CD2 4.27Å
101R98.8Very high98.7Very high9 Ų946.1 Ų46.13%0.03425%0.25CC..Hα-helixtrans-61.9-40.3174-173.5173.7-63-77.53.2112V97 E98 K103 Y104 L105 N155 D158 L159V97-R101 VanDerWaalsContact O-CB 3.26Å; V97-R101 WeakPolarHBondContact O-CB 3.02Å; V97-R101 PolarHBondContact O-N 2.82Å; E98-R101 PolarHBondContact O-N 2.86Å; R101-K103 VanDerWaalsContact C-N 3.33Å; R101-K103 PolarHBondContact O-N 3.37Å; R101-Y104 WeakPolarHBondContact O-CB 3.22Å; R101-Y104 PolarHBondContact O-N 3.43Å; R101-L105 HydrophobicContact CG-CD1 4.21Å; R101-L105 HydrophobicContact CG-CG 4.44Å; R101-L105 WeakPolarHBondContact O-CB 3.43Å; R101-L105 VanDerWaalsContact O-CG 3.28Å; R101-L105 WeakPolarHBondContact O-CG 3.2Å; R101-L105 PolarHBondContact O-N 3.42Å; R101-N155 PolarHBondContact NE-OD1 3.49Å; R101-N155 PolarHBondContact NH2-O 2.9Å; R101-N155 VanDerWaalsContact NH2-O 3.11Å; R101-N155 PolarHBondContact NH2-OD1 2.74Å; R101-D158 IonicContact CZ-OD2 2.72Å; R101-D158 IonicContact NH1-OD2 3.16Å; R101-D158 PolarHBondContact NH1-OD2 3.33Å; R101-D158 IonicContact NH2-OD2 2.72Å; R101-D158 PolarHBondContact NH2-OD2 3.01Å; R101-L159 HydrophobicContact CB-CD1 4.02Å
102C98.7Very high98.7Very high56 Ų5645.9 Ų45.938%0.37825%0.246SC..Hα-helixtrans-61.4-42.3174.4-75.10000111.7E98 D99 L100 L105 S106E98-C102 WeakPolarHBondContact O-CB 3.3Å; E98-C102 PolarHBondContact O-N 3.34Å; E98-C102 PolarHBondContact O-SG 3.19Å; E98-C102 PolarHBondContact OE1-SG 3.44Å; D99-C102 PolarHBondContact O-N 3.39Å; L100-C102 VanDerWaalsContact C-N 3.34Å; L100-C102 PolarHBondContact O-N 3.05Å; C102-L105 PolarHBondContact O-N 3.3Å; C102-S106 WeakPolarHBondContact O-CB 3.18Å; C102-S106 PolarHBondContact O-N 3.4Å
103K98.8Very high98.6Very high97 Ų9747.5 Ų47.542%0.42225%0.252SS..Hα-helixtrans-63.2-44.9174.2-63.5174.3-171.3176.80111.7D99 L100 R101 S106 L107 Y119D99-K103 WeakPolarHBondContact O-CG 3.42Å; D99-K103 PolarHBondContact O-N 3.42Å; L100-K103 HydrophobicContact CD1-CB 4.5Å; L100-K103 HydrophobicContact CD1-CD 4.34Å; L100-K103 WeakPolarHBondContact O-CB 3.45Å; L100-K103 PolarHBondContact O-N 3.11Å; R101-K103 VanDerWaalsContact C-N 3.33Å; R101-K103 PolarHBondContact O-N 3.37Å; K103-S106 WeakPolarHBondContact O-CB 3.35Å; K103-S106 PolarHBondContact O-N 2.97Å; K103-L107 PolarHBondContact O-N 2.79Å; K103-Y119 HydrophobicContact CB-CE2 3.89Å
104Y98.9Very high98.6Very high2 Ų251.2 Ų51.21%0.00828%0.284CS..Hα-helixtrans-56.9-50.2175170.5-93.5000111L100 R101 S106 L107 I108 Y119 I162 L166 I204 N205L100-Y104 PolarHBondContact O-N 3.45Å; R101-Y104 WeakPolarHBondContact O-CB 3.22Å; R101-Y104 PolarHBondContact O-N 3.43Å; Y104-S106 VanDerWaalsContact C-N 3.32Å; Y104-S106 PolarHBondContact O-N 2.97Å; Y104-L107 WeakPolarHBondContact O-CB 3.08Å; Y104-L107 PolarHBondContact O-N 2.91Å; Y104-I108 HydrophobicContact CD1-CG1 4.02Å; Y104-I108 HydrophobicContact CD2-CG1 4.19Å; Y104-I108 HydrophobicContact CE1-CD1 4.43Å; Y104-I108 HydrophobicContact CE1-CG1 3.61Å; Y104-I108 HydrophobicContact CE2-CD1 3.85Å; Y104-I108 HydrophobicContact CE2-CG1 3.78Å; Y104-I108 HydrophobicContact CG-CG1 4.3Å; Y104-I108 VanDerWaalsContact CZ-CG1 3.48Å; Y104-I108 WeakPolarHBondContact O-CG1 3.29Å; Y104-I108 PolarHBondContact O-N 2.95Å; Y104-Y119 WeakPolarHBondContact CA-OH 3.36Å; Y104-Y119 WeakPolarHBondContact CB-OH 3.47Å; Y104-Y119 PolarHBondContact N-OH 3.49Å; Y104-I162 HydrophobicContact CD1-CD1 3.82Å; Y104-I162 HydrophobicContact CD2-CD1 4.26Å; Y104-I162 HydrophobicContact CE1-CD1 3.67Å; Y104-I162 HydrophobicContact CE2-CB 4.45Å; Y104-I162 HydrophobicContact CE2-CD1 4.14Å; Y104-I162 HydrophobicContact CE2-CG1 4.26Å; Y104-I162 HydrophobicContact CG-CD1 4.1Å; Y104-L166 HydrophobicContact CD2-CD2 4.02Å; Y104-L166 HydrophobicContact CE2-CD2 4.14Å; Y104-I204 WeakPolarHBondContact OH-CG2 3.37Å; Y104-N205 PolarHBondContact OH-ND2 2.54Å
105L98.6Very high98.6Very high36 Ų3651.7 Ų51.719%0.18829%0.288CS..Hα-helixtrans-62.9-38.7179.4-68.6172.7000112R101 C102 I108 Y109R101-L105 HydrophobicContact CG-CD1 4.21Å; R101-L105 HydrophobicContact CG-CG 4.44Å; R101-L105 WeakPolarHBondContact O-CB 3.43Å; R101-L105 VanDerWaalsContact O-CG 3.28Å; R101-L105 WeakPolarHBondContact O-CG 3.2Å; R101-L105 PolarHBondContact O-N 3.42Å; C102-L105 PolarHBondContact O-N 3.3Å; L105-I108 PolarHBondContact O-N 3.3Å; L105-Y109 HydrophobicContact CD2-CD2 4.22Å; L105-Y109 HydrophobicContact CD2-CE2 3.79Å; L105-Y109 WeakPolarHBondContact O-CD2 3.49Å; L105-Y109 PolarHBondContact O-N 2.91Å
106S98.6Very high98.6Very high65 Ų6550.6 Ų50.646%0.45528%0.28SS..Hα-helixtrans-60-47.8173.8-173.80000111.3C102 K103 Y104 T110C102-S106 WeakPolarHBondContact O-CB 3.18Å; C102-S106 PolarHBondContact O-N 3.4Å; K103-S106 WeakPolarHBondContact O-CB 3.35Å; K103-S106 PolarHBondContact O-N 2.97Å; Y104-S106 VanDerWaalsContact C-N 3.32Å; Y104-S106 PolarHBondContact O-N 2.97Å; S106-T110 WeakPolarHBondContact O-CB 3.34Å; S106-T110 PolarHBondContact O-N 3.33Å; S106-T110 PolarHBondContact O-OG1 2.7Å
107L98.7Very high98.5Very high8 Ų855.8 Ų55.84%0.04230%0.301CS..Hα-helixtrans-55.3-58.2173.5173.872.3000110.8K103 Y104 Y109 N111 Y112 K116 Y119 L166K103-L107 PolarHBondContact O-N 2.79Å; Y104-L107 WeakPolarHBondContact O-CB 3.08Å; Y104-L107 PolarHBondContact O-N 2.91Å; L107-Y109 PolarHBondContact O-N 3.35Å; L107-N111 WeakPolarHBondContact CD1-O 3.22Å; L107-N111 CarbonylContact O-C 3.57Å; L107-N111 PolarHBondContact O-N 2.95Å; L107-N111 VanDerWaalsContact O-N 3.13Å; L107-Y112 HydrophobicContact CG-CD2 4.29Å; L107-Y112 VanDerWaalsContact O-CA 3.31Å; L107-Y112 WeakPolarHBondContact O-CA 3.36Å; L107-Y112 PolarHBondContact O-N 3.44Å; L107-K116 HydrophobicContact CD1-CB 4.3Å; L107-Y119 HydrophobicContact CB-CD2 4.07Å; L107-Y119 HydrophobicContact CB-CE2 4.33Å; L107-Y119 HydrophobicContact CD2-CD1 3.81Å; L107-Y119 HydrophobicContact CD2-CD2 3.96Å; L107-Y119 HydrophobicContact CD2-CE1 4.3Å; L107-Y119 HydrophobicContact CD2-CE2 4.42Å; L107-Y119 HydrophobicContact CD2-CG 3.63Å; L107-Y119 HydrophobicContact CG-CD2 4.46Å; L107-Y119 HydrophobicContact CG-CG 4.48Å; L107-L166 HydrophobicContact CD2-CD1 4.15Å; L107-L166 HydrophobicContact CD2-CD2 3.91Å
108I98.7Very high98.5Very high0 Ų061.5 Ų61.50%033%0.331CS..Hα-helixtrans-55.5-48-174.2-69.3-55.1000112.1Y104 L105 Y112 N205 N207 K209Y104-I108 HydrophobicContact CD1-CG1 4.02Å; Y104-I108 HydrophobicContact CD2-CG1 4.19Å; Y104-I108 HydrophobicContact CE1-CD1 4.43Å; Y104-I108 HydrophobicContact CE1-CG1 3.61Å; Y104-I108 HydrophobicContact CE2-CD1 3.85Å; Y104-I108 HydrophobicContact CE2-CG1 3.78Å; Y104-I108 HydrophobicContact CG-CG1 4.3Å; Y104-I108 VanDerWaalsContact CZ-CG1 3.48Å; Y104-I108 WeakPolarHBondContact O-CG1 3.29Å; Y104-I108 PolarHBondContact O-N 2.95Å; L105-I108 PolarHBondContact O-N 3.3Å; I108-Y112 HydrophobicContact CD1-CD2 3.7Å; I108-Y112 HydrophobicContact CD1-CE2 3.63Å; I108-N205 HydrophobicContact CG2-CB 3.81Å; I108-N207 PolarHBondContact O-ND2 2.88Å; I108-K209 HydrophobicContact CG2-CB 4.45Å
109Y98.3Very high98.5Very high110 Ų11061.4 Ų61.443%0.43133%0.33SS..Hα-helixtrans-95-16-169.3-71.7-81.2000114.3L105 L107 N205 G206 N207L105-Y109 HydrophobicContact CD2-CD2 4.22Å; L105-Y109 HydrophobicContact CD2-CE2 3.79Å; L105-Y109 WeakPolarHBondContact O-CD2 3.49Å; L105-Y109 PolarHBondContact O-N 2.91Å; L107-Y109 PolarHBondContact O-N 3.35Å; Y109-N205 HydrophobicContact CE2-CB 4.4Å; Y109-G206 PolarHBondContact OH-N 3Å; Y109-N207 HydrophobicContact CD1-CB 4.31Å; Y109-N207 HydrophobicContact CE1-CB 4.14Å
110T98.4Very high98.5Very high106 Ų10658.6 Ų58.665%0.6532%0.316SS*.Hα-helixtrans-126.8-28.3-171.878.10000115.3S106S106-T110 WeakPolarHBondContact O-CB 3.34Å; S106-T110 PolarHBondContact O-N 3.33Å; S106-T110 PolarHBondContact O-OG1 2.7Å
111N98.2Very high98.5Very high82 Ų8266.6 Ų66.644%0.43935%0.351SS..  trans-150.335.8-169-164.233.7000113.7L107 E113 G115L107-N111 WeakPolarHBondContact CD1-O 3.22Å; L107-N111 CarbonylContact O-C 3.57Å; L107-N111 PolarHBondContact O-N 2.95Å; L107-N111 VanDerWaalsContact O-N 3.13Å; N111-E113 PolarHBondContact O-N 3.39Å; N111-G115 VanDerWaalsContact O-CA 3.27Å; N111-G115 WeakPolarHBondContact O-CA 3.46Å; N111-G115 PolarHBondContact O-N 2.8Å
112Y98.4Very high98.5Very high38 Ų3868.7 Ų68.715%0.14937%0.37CS..Hα-helixtrans-61.8-49.6-170.8-172.9-91.3000111.9L107 I108 K116 L166 K209 Q210L107-Y112 HydrophobicContact CG-CD2 4.29Å; L107-Y112 VanDerWaalsContact O-CA 3.31Å; L107-Y112 WeakPolarHBondContact O-CA 3.36Å; L107-Y112 PolarHBondContact O-N 3.44Å; I108-Y112 HydrophobicContact CD1-CD2 3.7Å; I108-Y112 HydrophobicContact CD1-CE2 3.63Å; Y112-K116 HydrophobicContact CE1-CD 4Å; Y112-K116 HydrophobicContact CE2-CD 4.32Å; Y112-K116 WeakPolarHBondContact O-CB 3.27Å; Y112-K116 PolarHBondContact O-N 2.99Å; Y112-K116 VanDerWaalsContact O-N 3.11Å; Y112-K116 PolarHBondContact OH-NZ 3.19Å; Y112-L166 HydrophobicContact CE2-CD1 3.79Å; Y112-K209 HydrophobicContact CD1-CD 3.91Å; Y112-K209 HydrophobicContact CD2-CB 4.12Å; Y112-K209 HydrophobicContact CD2-CD 4.13Å; Y112-K209 HydrophobicContact CE2-CB 4.12Å; Y112-K209 HydrophobicContact CG-CB 4.39Å; Y112-K209 HydrophobicContact CG-CD 3.63Å; Y112-Q210 WeakPolarHBondContact CE2-O 3.46Å; Y112-Q210 PolarHBondContact OH-O 2.92Å
113E97.6Very high98.5Very high136 Ų13666.2 Ų66.264%0.63635%0.353SS*.Hα-helixtrans-70.5-40.2-170.8-70.164.5-15600112.5N111 K209N111-E113 PolarHBondContact O-N 3.39Å; E113-K209 WeakPolarHBondContact OE1-CE 3.49Å; E113-K209 IonicContact OE1-NZ 3.21Å; E113-K209 PolarHBondContact OE1-NZ 3.27Å; E113-K209 IonicContact OE2-NZ 2.76Å; E113-K209 PolarHBondContact OE2-NZ 3.15Å
114A98.1Very high98.5Very high81 Ų8164.8 Ų64.867%0.66935%0.354SS*.Hα-helixtrans-92.6-22-17900000113.4
115G98.4Very high98.5Very high9 Ų967 Ų679%0.09338%0.378CS..Hα-helixtrans-102-12.6-174.300000115.5N111 D117 D118 Y119N111-G115 VanDerWaalsContact O-CA 3.27Å; N111-G115 WeakPolarHBondContact O-CA 3.46Å; N111-G115 PolarHBondContact O-N 2.8Å; G115-D117 PolarHBondContact O-N 3.42Å; G115-D118 PolarHBondContact O-N 2.87Å; G115-Y119 WeakPolarHBondContact O-CB 3.12Å; G115-Y119 PolarHBondContact O-N 3.01Å
116K98.5Very high98.5Very high56 Ų5668.5 Ų68.524%0.24338%0.383CS..Hα-helixtrans-61.6-43.9-172.2-179171.3-175.4173.30112.7L107 Y112 D118 Y119 V120 L166L107-K116 HydrophobicContact CD1-CB 4.3Å; Y112-K116 HydrophobicContact CE1-CD 4Å; Y112-K116 HydrophobicContact CE2-CD 4.32Å; Y112-K116 WeakPolarHBondContact O-CB 3.27Å; Y112-K116 PolarHBondContact O-N 2.99Å; Y112-K116 VanDerWaalsContact O-N 3.11Å; Y112-K116 PolarHBondContact OH-NZ 3.19Å; K116-D118 PolarHBondContact O-N 2.86Å; K116-Y119 WeakPolarHBondContact O-CB 3.35Å; K116-Y119 PolarHBondContact O-N 3.35Å; K116-V120 HydrophobicContact CG-CG2 4.15Å; K116-V120 VanDerWaalsContact O-CG2 3.31Å; K116-V120 WeakPolarHBondContact O-CG2 3.48Å; K116-V120 PolarHBondContact O-N 2.72Å; K116-L166 HydrophobicContact CD-CD1 4.32Å; K116-L166 VanDerWaalsContact CE-O 3.3Å; K116-L166 WeakPolarHBondContact CE-O 3.37Å; K116-L166 PolarHBondContact NZ-O 3.2Å
117D98.3Very high98.5Very high137 Ų13765.4 Ų65.473%0.73336%0.362SS*.Hα-helixtrans-62.6-46.8-177.2-70.8-7.8000112G115 Y119 V120 K121G115-D117 PolarHBondContact O-N 3.42Å; D117-Y119 VanDerWaalsContact C-N 3.34Å; D117-Y119 PolarHBondContact O-N 3.11Å; D117-V120 PolarHBondContact O-N 3.23Å; D117-K121 VanDerWaalsContact O-CB 3.32Å; D117-K121 WeakPolarHBondContact O-CB 3.46Å; D117-K121 PolarHBondContact O-N 3.18Å
118D98.6Very high98.5Very high119 Ų11971.3 Ų71.364%0.63639%0.387SS*.Hα-helixtrans-64.9-38.6176.7-78-21.5000112G115 K116 K121 A122G115-D118 PolarHBondContact O-N 2.87Å; K116-D118 PolarHBondContact O-N 2.86Å; D118-K121 PolarHBondContact O-N 3.38Å; D118-A122 WeakPolarHBondContact O-CB 3.31Å; D118-A122 PolarHBondContact O-N 3.38Å
119Y98.7Very high98.5Very high31 Ų3174.6 Ų74.612%0.12241%0.409CS..Hα-helixtrans-60.5-51.3175.4-173.5-83.1000111.6K103 Y104 L107 G115 K116 D117 K121 A122 L123 H163 L166K103-Y119 HydrophobicContact CB-CE2 3.89Å; Y104-Y119 WeakPolarHBondContact CA-OH 3.36Å; Y104-Y119 WeakPolarHBondContact CB-OH 3.47Å; Y104-Y119 PolarHBondContact N-OH 3.49Å; L107-Y119 HydrophobicContact CB-CD2 4.07Å; L107-Y119 HydrophobicContact CB-CE2 4.33Å; L107-Y119 HydrophobicContact CD2-CD1 3.81Å; L107-Y119 HydrophobicContact CD2-CD2 3.96Å; L107-Y119 HydrophobicContact CD2-CE1 4.3Å; L107-Y119 HydrophobicContact CD2-CE2 4.42Å; L107-Y119 HydrophobicContact CD2-CG 3.63Å; L107-Y119 HydrophobicContact CG-CD2 4.46Å; L107-Y119 HydrophobicContact CG-CG 4.48Å; G115-Y119 WeakPolarHBondContact O-CB 3.12Å; G115-Y119 PolarHBondContact O-N 3.01Å; K116-Y119 WeakPolarHBondContact O-CB 3.35Å; K116-Y119 PolarHBondContact O-N 3.35Å; D117-Y119 VanDerWaalsContact C-N 3.34Å; D117-Y119 PolarHBondContact O-N 3.11Å; Y119-K121 VanDerWaalsContact C-N 3.31Å; Y119-K121 PolarHBondContact O-N 2.89Å; Y119-A122 PolarHBondContact O-N 2.88Å; Y119-A122 VanDerWaalsContact O-N 3.16Å; Y119-L123 HydrophobicContact CE1-CD1 4.3Å; Y119-L123 PolarHBondContact O-N 2.9Å; Y119-H163 AromaticContact CE1-CD2 3.96Å; Y119-H163 AromaticContact CE1-NE2 3.68Å; Y119-H163 AromaticContact CZ-NE2 3.7Å; Y119-H163 PolarHBondContact OH-NE2 3.3Å; Y119-L166 HydrophobicContact CD1-CD2 3.83Å; Y119-L166 HydrophobicContact CE1-CD2 3.6Å
120V98.6Very high98.5Very high49 Ų4969.9 Ų69.930%0.29739%0.39SS..Hα-helixtrans-64.3-37.7-179.7173.40000110.8K116 D117 A122 L123 P124 A167K116-V120 HydrophobicContact CG-CG2 4.15Å; K116-V120 VanDerWaalsContact O-CG2 3.31Å; K116-V120 WeakPolarHBondContact O-CG2 3.48Å; K116-V120 PolarHBondContact O-N 2.72Å; D117-V120 PolarHBondContact O-N 3.23Å; V120-A122 VanDerWaalsContact C-N 3.31Å; V120-A122 PolarHBondContact O-N 3.29Å; V120-L123 WeakPolarHBondContact O-CB 3.19Å; V120-L123 PolarHBondContact O-N 3.21Å; V120-P124 WeakPolarHBondContact O-CD 3.4Å; V120-A167 HydrophobicContact CG1-CB 3.96Å; V120-A167 HydrophobicContact CG2-CB 3.94Å
121K98.5Very high98.6Very high172 Ų17266 Ų6675%0.74837%0.365SS*.Hα-helixtrans-62.3-36.2174.6-174.7178.1179.1-179.20112.9D117 D118 Y119D117-K121 VanDerWaalsContact O-CB 3.32Å; D117-K121 WeakPolarHBondContact O-CB 3.46Å; D117-K121 PolarHBondContact O-N 3.18Å; D118-K121 PolarHBondContact O-N 3.38Å; Y119-K121 VanDerWaalsContact C-N 3.31Å; Y119-K121 PolarHBondContact O-N 2.89Å
122A98.6Very high98.6Very high52 Ų5264.7 Ų64.743%0.4336%0.36SS..Hα-helixtrans-81.4-20.2177.900000113.5D118 Y119 V120 G125 Q126D118-A122 WeakPolarHBondContact O-CB 3.31Å; D118-A122 PolarHBondContact O-N 3.38Å; Y119-A122 PolarHBondContact O-N 2.88Å; Y119-A122 VanDerWaalsContact O-N 3.16Å; V120-A122 VanDerWaalsContact C-N 3.31Å; V120-A122 PolarHBondContact O-N 3.29Å; A122-G125 PolarHBondContact O-N 3.43Å; A122-G125 VanDerWaalsContact O-N 3.08Å; A122-Q126 PolarHBondContact O-N 3.28Å
123L98.7Very high98.6Very high4 Ų464.8 Ų64.82%0.02136%0.363CS..Hα-helixtrans-54.7-43.2-171.2-176.660.2000114.4L100 Y119 V120 G125 Q126 L127 H163 A167 C170L100-L123 HydrophobicContact CD2-CD1 4.41Å; Y119-L123 HydrophobicContact CE1-CD1 4.3Å; Y119-L123 PolarHBondContact O-N 2.9Å; V120-L123 WeakPolarHBondContact O-CB 3.19Å; V120-L123 PolarHBondContact O-N 3.21Å; L123-G125 VanDerWaalsContact C-N 3.25Å; L123-G125 PolarHBondContact O-N 3.47Å; L123-Q126 WeakPolarHBondContact O-CA 3.44Å; L123-Q126 WeakPolarHBondContact O-CB 3.26Å; L123-Q126 PolarHBondContact O-N 2.78Å; L123-L127 HydrophobicContact CD1-CD1 4.07Å; L123-L127 HydrophobicContact CD1-CD2 4.19Å; L123-L127 HydrophobicContact CD1-CG 3.86Å; L123-L127 HydrophobicContact CD2-CD1 4.36Å; L123-L127 HydrophobicContact CG-CD1 3.86Å; L123-L127 HydrophobicContact CG-CG 4.1Å; L123-L127 WeakPolarHBondContact O-CG 3.4Å; L123-L127 PolarHBondContact O-N 2.87Å; L123-H163 WeakPolarHBondContact CD1-CD2 3.33Å; L123-H163 HydrophobicContact CD2-CB 4.39Å; L123-A167 HydrophobicContact CD2-CB 4.2Å; L123-C170 HydrophobicContact CD2-CB 3.84Å
124P98.7Very high98.6Very high67 Ų6758.3 Ų58.344%0.43533%0.332SS..Hα-helixtrans-57-38.7177.5-26.635.5000113.2V120 Q126 L127 K128 F174V120-P124 WeakPolarHBondContact O-CD 3.4Å; P124-Q126 VanDerWaalsContact C-N 3.28Å; P124-Q126 PolarHBondContact O-N 3.47Å; P124-L127 PolarHBondContact O-N 3.29Å; P124-K128 WeakPolarHBondContact O-CB 3.47Å; P124-K128 PolarHBondContact O-N 3.5Å; P124-F174 HydrophobicContact CB-CE2 4.3Å; P124-F174 HydrophobicContact CB-CZ 3.97Å; P124-F174 VanDerWaalsContact O-CZ 3.28Å; P124-F174 WeakPolarHBondContact O-CZ 3.32Å
125G98.6Very high98.7Very high50 Ų5057.5 Ų57.552%0.51532%0.322SS..Hα-helixtrans-67.3-29.1175.900000113.2A122 L123 P129A122-G125 PolarHBondContact O-N 3.43Å; A122-G125 VanDerWaalsContact O-N 3.08Å; L123-G125 VanDerWaalsContact C-N 3.25Å; L123-G125 PolarHBondContact O-N 3.47Å; G125-P129 WeakPolarHBondContact O-CD 3.39Å
126Q98.8Very high98.7Very high66 Ų6664 Ų6431%0.30835%0.35SS..Hα-helixtrans-79.5-29.6176.2-56.9-60.5-64.400112.9L100 A122 L123 P124 P129L100-Q126 HydrophobicContact CD1-CB 3.73Å; L100-Q126 HydrophobicContact CD1-CG 3.91Å; L100-Q126 HydrophobicContact CD2-CB 3.83Å; L100-Q126 HydrophobicContact CG-CB 4.42Å; A122-Q126 PolarHBondContact O-N 3.28Å; L123-Q126 WeakPolarHBondContact O-CA 3.44Å; L123-Q126 WeakPolarHBondContact O-CB 3.26Å; L123-Q126 PolarHBondContact O-N 2.78Å; P124-Q126 VanDerWaalsContact C-N 3.28Å; P124-Q126 PolarHBondContact O-N 3.47Å; Q126-P129 WeakPolarHBondContact O-CD 3.42Å
127L98.8Very high98.7Very high0 Ų062.7 Ų62.70%035%0.346CS..Hα-helixtrans-84.4-29.9179.1-64.5179.7000113.2L100 L123 P124 P129 F130 E131 L160 C170 L171 F174 L177L100-L127 HydrophobicContact CD2-CD2 3.97Å; L123-L127 HydrophobicContact CD1-CD1 4.07Å; L123-L127 HydrophobicContact CD1-CD2 4.19Å; L123-L127 HydrophobicContact CD1-CG 3.86Å; L123-L127 HydrophobicContact CD2-CD1 4.36Å; L123-L127 HydrophobicContact CG-CD1 3.86Å; L123-L127 HydrophobicContact CG-CG 4.1Å; L123-L127 WeakPolarHBondContact O-CG 3.4Å; L123-L127 PolarHBondContact O-N 2.87Å; P124-L127 PolarHBondContact O-N 3.29Å; L127-P129 VanDerWaalsContact C-N 3.33Å; L127-F130 PolarHBondContact O-N 3.49Å; L127-E131 PolarHBondContact O-N 2.7Å; L127-L160 HydrophobicContact CD2-CD2 3.97Å; L127-C170 HydrophobicContact CD1-CB 4.4Å; L127-L171 HydrophobicContact CD1-CD2 4.02Å; L127-F174 HydrophobicContact CB-CD2 4.32Å; L127-F174 HydrophobicContact CB-CE2 3.9Å; L127-F174 HydrophobicContact CB-CZ 4.05Å; L127-F174 HydrophobicContact CD1-CD2 4.4Å; L127-F174 HydrophobicContact CD1-CE2 4.15Å; L127-L177 HydrophobicContact CB-CD1 4.35Å
128K98.8Very high98.6Very high133 Ų13361.6 Ų61.658%0.57834%0.336SS*.Hα-helixtrans-50.6-38-179-176.1176.7-178.4120.20115.3P124 F130 E131 T132 F174P124-K128 WeakPolarHBondContact O-CB 3.47Å; P124-K128 PolarHBondContact O-N 3.5Å; K128-F130 VanDerWaalsContact C-N 3.32Å; K128-F130 PolarHBondContact O-N 3.39Å; K128-E131 PolarHBondContact O-N 2.91Å; K128-T132 WeakPolarHBondContact O-CB 3.49Å; K128-T132 PolarHBondContact O-N 3.21Å; K128-T132 PolarHBondContact O-OG1 3.32Å; K128-F174 HydrophobicContact CB-CE1 4.07Å
129P98.9Very high98.6Very high69 Ų6957.7 Ų57.745%0.44832%0.324SS..Hα-helixtrans-58.5-39.8175.5-2736.8000113.6G125 Q126 L127 T132 L133G125-P129 WeakPolarHBondContact O-CD 3.39Å; Q126-P129 WeakPolarHBondContact O-CD 3.42Å; L127-P129 VanDerWaalsContact C-N 3.33Å; P129-T132 WeakPolarHBondContact O-CB 3.49Å; P129-T132 PolarHBondContact O-N 2.99Å; P129-L133 WeakPolarHBondContact O-CG 3.45Å; P129-L133 PolarHBondContact O-N 3.37Å
130F98.9Very high98.5Very high10 Ų1056.3 Ų56.34%0.04432%0.319CS..Hα-helixtrans-70.9-39179.4-51.8-67.8000112V97 L100 L127 K128 T132 L133 L134 L156 L159 L177V97-F130 HydrophobicContact CG2-CE1 3.73Å; V97-F130 HydrophobicContact CG2-CZ 3.99Å; L100-F130 HydrophobicContact CD2-CE2 4.28Å; L127-F130 PolarHBondContact O-N 3.49Å; K128-F130 VanDerWaalsContact C-N 3.32Å; K128-F130 PolarHBondContact O-N 3.39Å; F130-T132 VanDerWaalsContact C-N 3.27Å; F130-T132 PolarHBondContact O-N 3.36Å; F130-L133 HydrophobicContact CD1-CD1 4.48Å; F130-L133 PolarHBondContact O-N 3.46Å; F130-L134 PolarHBondContact O-N 2.92Å; F130-L156 HydrophobicContact CB-CD1 4.2Å; F130-L156 HydrophobicContact CB-CD2 4.24Å; F130-L156 HydrophobicContact CD1-CD1 3.73Å; F130-L156 HydrophobicContact CD1-CD2 4.18Å; F130-L156 HydrophobicContact CD2-CD1 3.96Å; F130-L156 HydrophobicContact CE1-CD1 4.05Å; F130-L156 HydrophobicContact CE2-CD1 4.26Å; F130-L156 HydrophobicContact CG-CD1 3.69Å; F130-L156 HydrophobicContact CG-CD2 4.37Å; F130-L156 HydrophobicContact CZ-CD1 4.3Å; F130-L159 HydrophobicContact CE2-CD2 4.14Å; F130-L159 HydrophobicContact CZ-CD2 4.25Å; F130-L177 HydrophobicContact CB-CD1 4.25Å; F130-L177 HydrophobicContact CB-CD2 3.76Å
131E98.8Very high98.5Very high26 Ų2661.9 Ų61.912%0.12134%0.34CS..Hα-helixtrans-58.8-42.3170.2-177.373.8-179.400110.9L127 K128 L134 S135 F174 P175 L176 L177L127-E131 PolarHBondContact O-N 2.7Å; K128-E131 PolarHBondContact O-N 2.91Å; E131-L134 PolarHBondContact O-N 3.2Å; E131-S135 PolarHBondContact O-N 3.19Å; E131-F174 HydrophobicContact CB-CD1 3.76Å; E131-F174 HydrophobicContact CG-CB 4.4Å; E131-F174 HydrophobicContact CG-CD1 3.9Å; E131-F174 WeakPolarHBondContact OE2-CB 3.26Å; E131-P175 VanDerWaalsContact OE1-CD 3.26Å; E131-P175 WeakPolarHBondContact OE1-CD 3.41Å; E131-L176 WeakPolarHBondContact OE1-CB 3.46Å; E131-L176 WeakPolarHBondContact OE1-CG 3.36Å; E131-L176 PolarHBondContact OE1-N 3.24Å; E131-L176 WeakPolarHBondContact OE2-CB 3.46Å; E131-L176 PolarHBondContact OE2-N 2.82Å; E131-L177 HydrophobicContact CB-CD1 4.06Å; E131-L177 HydrophobicContact CB-CG 4.24Å; E131-L177 WeakPolarHBondContact OE2-CG 3.4Å; E131-L177 PolarHBondContact OE2-N 3.14Å
132T98.8Very high98.4Very high54 Ų5455 Ų5533%0.33131%0.312SS..Hα-helixtrans-63.6-45.1178.4-56.80000111.2K128 P129 F130 L134 S135 Q136K128-T132 WeakPolarHBondContact O-CB 3.49Å; K128-T132 PolarHBondContact O-N 3.21Å; K128-T132 PolarHBondContact O-OG1 3.32Å; P129-T132 WeakPolarHBondContact O-CB 3.49Å; P129-T132 PolarHBondContact O-N 2.99Å; F130-T132 VanDerWaalsContact C-N 3.27Å; F130-T132 PolarHBondContact O-N 3.36Å; T132-L134 PolarHBondContact O-N 3.34Å; T132-S135 PolarHBondContact O-N 3Å; T132-S135 VanDerWaalsContact O-N 3.17Å; T132-S135 PolarHBondContact O-OG 2.86Å; T132-Q136 WeakPolarHBondContact O-CG 3.32Å; T132-Q136 PolarHBondContact O-N 3.19Å; T132-Q136 VanDerWaalsContact O-N 3.14Å
133L98.7Very high98.4Very high39 Ų3953.8 Ų53.820%0.20430%0.297CS..Hα-helixtrans-59.4-45.4175.9-75.8166.2000111.8M92 V93 P129 F130 S135 Q136 N137 I144M92-L133 HydrophobicContact CE-CD2 4.02Å; V93-L133 HydrophobicContact CG2-CD1 3.74Å; P129-L133 WeakPolarHBondContact O-CG 3.45Å; P129-L133 PolarHBondContact O-N 3.37Å; F130-L133 HydrophobicContact CD1-CD1 4.48Å; F130-L133 PolarHBondContact O-N 3.46Å; L133-S135 VanDerWaalsContact C-N 3.33Å; L133-S135 PolarHBondContact O-N 2.98Å; L133-Q136 PolarHBondContact O-N 3.32Å; L133-N137 PolarHBondContact O-N 2.96Å; L133-I144 HydrophobicContact CB-CD1 3.84Å
134L98.7Very high98.4Very high0 Ų053.8 Ų53.80%030%0.297CS..Hα-helixtrans-58.6-45.6173.8-74.3174.7000111.2F130 E131 T132 Q136 N137 G140 I144 L176 L177 Y180F130-L134 PolarHBondContact O-N 2.92Å; E131-L134 PolarHBondContact O-N 3.2Å; T132-L134 PolarHBondContact O-N 3.34Å; L134-Q136 PolarHBondContact O-N 2.81Å; L134-Q136 VanDerWaalsContact O-N 3.16Å; L134-N137 PolarHBondContact O-N 3.23Å; L134-N137 VanDerWaalsContact O-O 3.13Å; L134-G140 VanDerWaalsContact O-CA 3.22Å; L134-G140 WeakPolarHBondContact O-CA 3.49Å; L134-G140 PolarHBondContact O-N 3.38Å; L134-I144 HydrophobicContact CD2-CD1 3.87Å; L134-I144 HydrophobicContact CG-CD1 3.73Å; L134-L176 HydrophobicContact CB-CB 3.91Å; L134-L176 HydrophobicContact CB-CD1 4.01Å; L134-L176 HydrophobicContact CD1-CB 3.91Å; L134-L177 HydrophobicContact CD1-CD2 3.67Å; L134-L177 HydrophobicContact CD1-CG 4.09Å; L134-Y180 HydrophobicContact CD1-CD2 4.37Å; L134-Y180 HydrophobicContact CD1-CG 4.12Å; L134-Y180 HydrophobicContact CD2-CD2 3.8Å; L134-Y180 HydrophobicContact CD2-CE2 4.29Å; L134-Y180 HydrophobicContact CD2-CG 4.38Å
135S98.5Very high98.5Very high64 Ų6451 Ų5145%0.44828%0.279SS..Hα-helixtrans-59-30.6179.980.80000113.3E131 T132 L133 L176E131-S135 PolarHBondContact O-N 3.19Å; T132-S135 PolarHBondContact O-N 3Å; T132-S135 VanDerWaalsContact O-N 3.17Å; T132-S135 PolarHBondContact O-OG 2.86Å; L133-S135 VanDerWaalsContact C-N 3.33Å; L133-S135 PolarHBondContact O-N 2.98Å; S135-L176 VanDerWaalsContact CA-CD1 3.47Å
136Q98.4Very high98.4Very high147 Ų14749 Ų4969%0.68726%0.257SS*.Hα-helixtrans-86.5-13-179.4-67.4172.9-0.800113.5T132 L133 L134T132-Q136 WeakPolarHBondContact O-CG 3.32Å; T132-Q136 PolarHBondContact O-N 3.19Å; T132-Q136 VanDerWaalsContact O-N 3.14Å; L133-Q136 PolarHBondContact O-N 3.32Å; L134-Q136 PolarHBondContact O-N 2.81Å; L134-Q136 VanDerWaalsContact O-N 3.16Å
137N98.6Very high98.4Very high28 Ų2850.1 Ų50.115%0.1527%0.266CS..THydrogen-bonded Turntrans-11396.3179.8-173.535.7000111.2L133 L134 G139 G140 T142 F143 G146L133-N137 PolarHBondContact O-N 2.96Å; L134-N137 PolarHBondContact O-N 3.23Å; L134-N137 VanDerWaalsContact O-O 3.13Å; N137-G139 PolarHBondContact O-N 2.98Å; N137-G140 PolarHBondContact O-N 3.44Å; N137-T142 PolarHBondContact ND2-OG1 2.84Å; N137-F143 PolarHBondContact ND2-O 3.11Å; N137-G146 PolarHBondContact ND2-N 3.13Å; N137-G146 VanDerWaalsContact ND2-N 3.17Å; N137-G146 PolarHBondContact ND2-O 3.35Å
138Q97.6Very high98.4Very high113 Ų11355.4 Ų55.453%0.52829%0.29SS..G310 helixtrans5133.2179.2-58.5-170.96400114.1G140 K141 T142Q138-G140 VanDerWaalsContact C-N 3.26Å; Q138-G140 PolarHBondContact O-N 3.49Å; Q138-K141 PolarHBondContact O-N 3.26Å; Q138-T142 HydrophobicContact CB-CG2 4.44Å
139G97.3Very high98.4Very high37 Ų3749.8 Ų49.838%0.38127%0.267SS..G310 helixtrans61.630.2-17800000113.9N137 K141N137-G139 PolarHBondContact O-N 2.98Å; G139-K141 VanDerWaalsContact C-N 3.3Å; G139-K141 PolarHBondContact O-N 2.81Å
140G97.7Very high98.4Very high3 Ų346.6 Ų46.63%0.03125%0.246CC..G310 helixtrans76.611.917600000114.7L134 N137 Q138 R183L134-G140 VanDerWaalsContact O-CA 3.22Å; L134-G140 WeakPolarHBondContact O-CA 3.49Å; L134-G140 PolarHBondContact O-N 3.38Å; N137-G140 PolarHBondContact O-N 3.44Å; Q138-G140 VanDerWaalsContact C-N 3.26Å; Q138-G140 PolarHBondContact O-N 3.49Å; G140-R183 PolarHBondContact O-NH2 2.94Å
141K97.6Very high98.4Very high166 Ų16646.1 Ų46.172%0.72224%0.244SC*.THydrogen-bonded Turntrans-86.2-15.1-172.5-60.4-170-178.4-1650114.6Q138 G139 R183Q138-K141 PolarHBondContact O-N 3.26Å; G139-K141 VanDerWaalsContact C-N 3.3Å; G139-K141 PolarHBondContact O-N 2.81Å; K141-R183 PolarHBondContact O-NE 3.22Å
142T98Very high98.4Very high26 Ų2644.9 Ų44.916%0.1624%0.238CC..SBendtrans-107.6-105.3-179.354.70000111.9N137 Q138 G146 D147 R183N137-T142 PolarHBondContact ND2-OG1 2.84Å; Q138-T142 HydrophobicContact CB-CG2 4.44Å; T142-G146 PolarHBondContact OG1-O 3.46Å; T142-D147 HydrophobicContact CG2-CB 4.45Å; T142-R183 PolarHBondContact O-NE 2.98Å; T142-R183 VanDerWaalsContact O-NE 3.16Å; T142-R183 PolarHBondContact O-NH2 2.81Å
143F98.7Very high98.4Very high28 Ų2842.3 Ų42.312%0.12322%0.222CC..  trans-126.5178.4-176.9-63.2-72.2000109.6N137 V145 D147 Q148 I149 D153 L184N137-F143 PolarHBondContact ND2-O 3.11Å; F143-V145 PolarHBondContact O-N 3.37Å; F143-D147 WeakPolarHBondContact CD2-O 3.45Å; F143-D147 WeakPolarHBondContact CE2-O 3.3Å; F143-Q148 WeakPolarHBondContact CD2-O 3.39Å; F143-I149 HydrophobicContact CD1-CB 3.74Å; F143-I149 HydrophobicContact CD1-CD1 4.23Å; F143-I149 HydrophobicContact CD1-CG1 3.78Å; F143-I149 HydrophobicContact CE1-CB 3.48Å; F143-I149 VanDerWaalsContact CE1-CB 3.48Å; F143-I149 HydrophobicContact CE1-CD1 3.8Å; F143-I149 HydrophobicContact CE1-CG1 3.71Å; F143-I149 HydrophobicContact CE2-CB 4.27Å; F143-I149 HydrophobicContact CG-CB 4.26Å; F143-I149 HydrophobicContact CZ-CB 3.76Å; F143-I149 HydrophobicContact CZ-CG1 4.48Å; F143-D153 WeakPolarHBondContact CB-OD1 3.44Å; F143-L184 HydrophobicContact CD1-CD2 3.86Å; F143-L184 HydrophobicContact CE1-CD2 3.58Å
144I98.8Very high98.4Very high3 Ų340.4 Ų40.42%0.01521%0.212CC..SBendtrans-66.9-29.9-179.5-163.661.5000112.3V93 L133 L134 A152 D153 L156V93-I144 HydrophobicContact CB-CG1 4.49Å; V93-I144 HydrophobicContact CG1-CB 4.5Å; V93-I144 HydrophobicContact CG1-CG1 3.72Å; V93-I144 HydrophobicContact CG1-CG2 4Å; V93-I144 HydrophobicContact CG2-CG1 3.96Å; V93-I144 HydrophobicContact CG2-CG2 4.43Å; L133-I144 HydrophobicContact CB-CD1 3.84Å; L134-I144 HydrophobicContact CD2-CD1 3.87Å; L134-I144 HydrophobicContact CG-CD1 3.73Å; I144-A152 HydrophobicContact CG2-CB 4.45Å; I144-D153 WeakPolarHBondContact CG2-OD1 3.38Å; I144-D153 PolarHBondContact N-OD1 3.46Å; I144-L156 HydrophobicContact CB-CD2 4.26Å; I144-L156 HydrophobicContact CD1-CD2 3.72Å; I144-L156 HydrophobicContact CG1-CD2 3.81Å
145V98.8Very high98.4Very high9 Ų940.6 Ų40.66%0.05521%0.213CC..SBendtrans-135.9134.1172.3177.50000109.1E86 L89 V90 V93 F143E86-V145 HydrophobicContact CB-CG1 4.07Å; E86-V145 HydrophobicContact CG-CG1 4.18Å; L89-V145 HydrophobicContact CB-CG1 3.8Å; L89-V145 HydrophobicContact CB-CG2 3.81Å; L89-V145 HydrophobicContact CD1-CG1 4.23Å; V90-V145 HydrophobicContact CG2-CB 3.88Å; V90-V145 HydrophobicContact CG2-CG1 3.97Å; V90-V145 HydrophobicContact CG2-CG2 4.15Å; V93-V145 HydrophobicContact CG2-CG2 3.88Å; F143-V145 PolarHBondContact O-N 3.37Å
146G98.2Very high98.4Very high7 Ų737.6 Ų37.67%0.07219%0.192CC..SBendtrans67.6-159.917500000114.6N137 T142N137-G146 PolarHBondContact ND2-N 3.13Å; N137-G146 VanDerWaalsContact ND2-N 3.17Å; N137-G146 PolarHBondContact ND2-O 3.35Å; T142-G146 PolarHBondContact OG1-O 3.46Å
147D98.2Very high98.5Very high90 Ų9030.6 Ų30.648%0.48116%0.159SC..SBendtrans-110.33.7178.464-10.5000113.4T142 F143T142-D147 HydrophobicContact CG2-CB 4.45Å; F143-D147 WeakPolarHBondContact CD2-O 3.45Å; F143-D147 WeakPolarHBondContact CE2-O 3.3Å
148Q98.2Very high98.5Very high111 Ų11129.6 Ų29.652%0.51915%0.154SC..SBendtrans-119.5148.7175.4-64.1-176.8-7.400110.8F143F143-Q148 WeakPolarHBondContact CD2-O 3.39Å
149I98.8Very high98.5Very high16 Ų1624.2 Ų24.28%0.08213%0.129CC..  trans-68.2140.9178.9-162.8161.8000110.3L79 F143 D153 Y154 L184L79-I149 HydrophobicContact CD2-CG2 4.05Å; F143-I149 HydrophobicContact CD1-CB 3.74Å; F143-I149 HydrophobicContact CD1-CD1 4.23Å; F143-I149 HydrophobicContact CD1-CG1 3.78Å; F143-I149 HydrophobicContact CE1-CB 3.48Å; F143-I149 VanDerWaalsContact CE1-CB 3.48Å; F143-I149 HydrophobicContact CE1-CD1 3.8Å; F143-I149 HydrophobicContact CE1-CG1 3.71Å; F143-I149 HydrophobicContact CE2-CB 4.27Å; F143-I149 HydrophobicContact CG-CB 4.26Å; F143-I149 HydrophobicContact CZ-CB 3.76Å; F143-I149 HydrophobicContact CZ-CG1 4.48Å; I149-D153 HydrophobicContact CD1-CB 4.36Å; I149-D153 HydrophobicContact CG1-CB 3.76Å; I149-Y154 HydrophobicContact CD1-CE1 3.76Å; I149-Y154 HydrophobicContact CD1-CE2 3.98Å; I149-Y154 VanDerWaalsContact CD1-CZ 3.43Å; I149-Y154 WeakPolarHBondContact CD1-OH 3.24Å; I149-Y154 HydrophobicContact CG1-CE2 3.94Å; I149-L184 HydrophobicContact CD1-CD2 4.35Å
150S98.9Very high98.6Very high1 Ų122.4 Ų22.41%0.00711%0.111CC..  trans-116.4168.4177.171.80000112L79 A152 D153 Y154L79-S150 CarbonylContact O-C 3.48Å; L79-S150 WeakPolarHBondContact O-CA 3.33Å; L79-S150 WeakPolarHBondContact O-CB 3.3Å; S150-A152 PolarHBondContact O-N 3.09Å; S150-A152 PolarHBondContact OG-N 3.33Å; S150-D153 WeakPolarHBondContact CB-OD2 3.39Å; S150-D153 PolarHBondContact N-OD2 2.77Å; S150-D153 WeakPolarHBondContact O-CB 3.37Å; S150-D153 PolarHBondContact O-N 2.76Å; S150-D153 PolarHBondContact OG-N 3.49Å; S150-D153 PolarHBondContact OG-OD2 3.16Å; S150-Y154 VanDerWaalsContact O-CD2 3.22Å; S150-Y154 WeakPolarHBondContact O-CD2 3.42Å; S150-Y154 WeakPolarHBondContact O-CE2 3.44Å
151F98.9Very high98.7Very high0 Ų024.6 Ų24.60%012%0.121CC..Hα-helixtrans-61.7-29.2171.872.1-92.8000112.4L21 L70 R71 L79 Y80 V90 N94 D153 Y154 N155L21-F151 HydrophobicContact CD1-CB 3.85Å; L70-F151 HydrophobicContact CB-CB 4.24Å; L70-F151 HydrophobicContact CB-CD2 3.72Å; L70-F151 HydrophobicContact CB-CE2 4.49Å; L70-F151 HydrophobicContact CB-CG 4.26Å; L70-F151 WeakPolarHBondContact O-CB 3.32Å; R71-F151 HydrophobicContact CG-CE1 4.13Å; R71-F151 HydrophobicContact CG-CE2 3.77Å; R71-F151 HydrophobicContact CG-CZ 3.55Å; L79-F151 WeakPolarHBondContact O-CD1 3.47Å; L79-F151 PolarHBondContact O-N 2.83Å; Y80-F151 HydrophobicContact CD1-CD1 4.47Å; Y80-F151 AromaticContact CD1-CE1 3.66Å; Y80-F151 HydrophobicContact CD1-CE1 3.66Å; Y80-F151 HydrophobicContact CD2-CD1 4.04Å; Y80-F151 AromaticContact CD2-CE1 3.65Å; Y80-F151 HydrophobicContact CD2-CE1 3.65Å; Y80-F151 AromaticContact CE1-CE1 3.51Å; Y80-F151 HydrophobicContact CE1-CE1 3.51Å; Y80-F151 HydrophobicContact CE1-CZ 4.01Å; Y80-F151 HydrophobicContact CE2-CD1 4.22Å; Y80-F151 AromaticContact CE2-CE1 3.5Å; Y80-F151 HydrophobicContact CE2-CE1 3.5Å; Y80-F151 VanDerWaalsContact CE2-CE1 3.5Å; Y80-F151 HydrophobicContact CE2-CZ 4.16Å; Y80-F151 HydrophobicContact CG-CD1 4.18Å; Y80-F151 AromaticContact CG-CE1 3.74Å; Y80-F151 HydrophobicContact CG-CE1 3.74Å; Y80-F151 AromaticContact CZ-CE1 3.42Å; Y80-F151 VanDerWaalsContact CZ-CE1 3.42Å; Y80-F151 AromaticContact CZ-CZ 3.78Å; V90-F151 HydrophobicContact CG1-CD1 3.82Å; V90-F151 HydrophobicContact CG1-CE1 3.25Å; V90-F151 HydrophobicContact CG1-CE2 4.33Å; V90-F151 HydrophobicContact CG1-CZ 3.57Å; N94-F151 HydrophobicContact CB-CE2 3.68Å; N94-F151 HydrophobicContact CB-CZ 4.33Å; F151-D153 VanDerWaalsContact C-N 3.27Å; F151-D153 PolarHBondContact O-N 2.86Å; F151-Y154 PolarHBondContact O-N 2.96Å; F151-N155 PolarHBondContact O-N 3.47Å
152A98.9Very high98.7Very high0 Ų017 Ų170%09%0.089CC..Hα-helixtrans-67.6-28.8178.400000112V90 V93 N94 I144 S150 N155 L156V90-A152 HydrophobicContact CG1-CB 3.81Å; V93-A152 HydrophobicContact CB-CB 4.2Å; V93-A152 HydrophobicContact CG1-CB 4.05Å; N94-A152 HydrophobicContact CB-CB 4.1Å; I144-A152 HydrophobicContact CG2-CB 4.45Å; S150-A152 PolarHBondContact O-N 3.09Å; S150-A152 PolarHBondContact OG-N 3.33Å; A152-N155 PolarHBondContact O-N 3.17Å; A152-L156 VanDerWaalsContact O-CB 3.31Å; A152-L156 WeakPolarHBondContact O-CB 3.22Å; A152-L156 PolarHBondContact O-N 2.73Å
153D98.9Very high98.8Very high0 Ų015.8 Ų15.80%08%0.081CC..Hα-helixtrans-62.6-44.2175.9-71.6-82.8000112F143 I144 I149 S150 F151 N155 L157 Y180 L184F143-D153 WeakPolarHBondContact CB-OD1 3.44Å; I144-D153 WeakPolarHBondContact CG2-OD1 3.38Å; I144-D153 PolarHBondContact N-OD1 3.46Å; I149-D153 HydrophobicContact CD1-CB 4.36Å; I149-D153 HydrophobicContact CG1-CB 3.76Å; S150-D153 WeakPolarHBondContact CB-OD2 3.39Å; S150-D153 PolarHBondContact N-OD2 2.77Å; S150-D153 WeakPolarHBondContact O-CB 3.37Å; S150-D153 PolarHBondContact O-N 2.76Å; S150-D153 PolarHBondContact OG-N 3.49Å; S150-D153 PolarHBondContact OG-OD2 3.16Å; F151-D153 VanDerWaalsContact C-N 3.27Å; F151-D153 PolarHBondContact O-N 2.86Å; D153-N155 VanDerWaalsContact C-N 3.34Å; D153-N155 PolarHBondContact O-N 2.78Å; D153-L157 VanDerWaalsContact O-CB 3.22Å; D153-L157 WeakPolarHBondContact O-CB 3.44Å; D153-L157 PolarHBondContact O-N 3.32Å; D153-Y180 WeakPolarHBondContact CA-OH 3.43Å; D153-Y180 WeakPolarHBondContact CB-OH 3.4Å; D153-Y180 VanDerWaalsContact CG-OH 3.26Å; D153-Y180 PolarHBondContact O-OH 3.2Å; D153-Y180 VanDerWaalsContact OD1-CE2 3.31Å; D153-Y180 WeakPolarHBondContact OD1-CE2 3.48Å; D153-Y180 PolarHBondContact OD1-OH 3.2Å; D153-L184 HydrophobicContact CB-CD1 4.05Å
154Y98.9Very high98.8Very high0 Ų017 Ų170%09%0.087CC..Hα-helixtrans-67.7-35.9177.6-54.6-81.2000112M20 L21 D24 Q25 L79 I149 S150 F151 D158M20-Y154 HydrophobicContact CB-CD1 4.21Å; L21-Y154 HydrophobicContact CB-CD1 4.2Å; L21-Y154 HydrophobicContact CB-CD2 3.71Å; L21-Y154 HydrophobicContact CB-CE1 4.48Å; L21-Y154 HydrophobicContact CB-CE2 4.02Å; L21-Y154 HydrophobicContact CB-CG 3.79Å; L21-Y154 HydrophobicContact CD1-CD2 3.89Å; L21-Y154 HydrophobicContact CD1-CE2 4.16Å; L21-Y154 HydrophobicContact CG-CD2 3.74Å; L21-Y154 HydrophobicContact CG-CE2 3.71Å; L21-Y154 HydrophobicContact CG-CG 4.34Å; D24-Y154 HydrophobicContact CB-CE1 3.69Å; D24-Y154 PolarHBondContact OD2-OH 2.72Å; Q25-Y154 PolarHBondContact NE2-OH 3.3Å; L79-Y154 HydrophobicContact CD1-CE2 4.26Å; I149-Y154 HydrophobicContact CD1-CE1 3.76Å; I149-Y154 HydrophobicContact CD1-CE2 3.98Å; I149-Y154 VanDerWaalsContact CD1-CZ 3.43Å; I149-Y154 WeakPolarHBondContact CD1-OH 3.24Å; I149-Y154 HydrophobicContact CG1-CE2 3.94Å; S150-Y154 VanDerWaalsContact O-CD2 3.22Å; S150-Y154 WeakPolarHBondContact O-CD2 3.42Å; S150-Y154 WeakPolarHBondContact O-CE2 3.44Å; F151-Y154 PolarHBondContact O-N 2.96Å; Y154-D158 PolarHBondContact O-N 3.1Å
155N98.9Very high98.8Very high4 Ų419.9 Ų19.92%0.02111%0.105CC..Hα-helixtrans-70.7-41.7178.3-160.18000112A17 N67 L70 N94 V97 R101 F151 A152 D153 L159A17-N155 HydrophobicContact CB-CB 4.07Å; N67-N155 PolarHBondContact OD1-ND2 3.25Å; L70-N155 HydrophobicContact CD1-CB 3.96Å; N94-N155 PolarHBondContact OD1-ND2 2.91Å; V97-N155 HydrophobicContact CG1-CB 4.05Å; V97-N155 VanDerWaalsContact CG1-CG 3.42Å; V97-N155 WeakPolarHBondContact CG1-OD1 3.31Å; R101-N155 PolarHBondContact NE-OD1 3.49Å; R101-N155 PolarHBondContact NH2-O 2.9Å; R101-N155 VanDerWaalsContact NH2-O 3.11Å; R101-N155 PolarHBondContact NH2-OD1 2.74Å; F151-N155 PolarHBondContact O-N 3.47Å; A152-N155 PolarHBondContact O-N 3.17Å; D153-N155 VanDerWaalsContact C-N 3.34Å; D153-N155 PolarHBondContact O-N 2.78Å; N155-L159 PolarHBondContact O-N 3.33Å; N155-L159 VanDerWaalsContact O-N 3.09Å
156L98.9Very high98.7Very high0 Ų019.6 Ų19.60%010%0.103CC..Hα-helixtrans-64.5-44.5172.9178.258.6000110.9V97 F130 I144 A152 D158 L159 L160 Y180V97-L156 HydrophobicContact CG2-CB 3.85Å; V97-L156 HydrophobicContact CG2-CD1 3.92Å; V97-L156 HydrophobicContact CG2-CG 4.46Å; F130-L156 HydrophobicContact CB-CD1 4.2Å; F130-L156 HydrophobicContact CB-CD2 4.24Å; F130-L156 HydrophobicContact CD1-CD1 3.73Å; F130-L156 HydrophobicContact CD1-CD2 4.18Å; F130-L156 HydrophobicContact CD2-CD1 3.96Å; F130-L156 HydrophobicContact CE1-CD1 4.05Å; F130-L156 HydrophobicContact CE2-CD1 4.26Å; F130-L156 HydrophobicContact CG-CD1 3.69Å; F130-L156 HydrophobicContact CG-CD2 4.37Å; F130-L156 HydrophobicContact CZ-CD1 4.3Å; I144-L156 HydrophobicContact CB-CD2 4.26Å; I144-L156 HydrophobicContact CD1-CD2 3.72Å; I144-L156 HydrophobicContact CG1-CD2 3.81Å; A152-L156 VanDerWaalsContact O-CB 3.31Å; A152-L156 WeakPolarHBondContact O-CB 3.22Å; A152-L156 PolarHBondContact O-N 2.73Å; L156-D158 VanDerWaalsContact C-N 3.34Å; L156-D158 PolarHBondContact O-N 2.75Å; L156-L159 HydrophobicContact CD1-CD2 4.27Å; L156-L159 WeakPolarHBondContact O-CB 3.21Å; L156-L159 PolarHBondContact O-N 3.43Å; L156-L159 VanDerWaalsContact O-N 3.11Å; L156-L160 HydrophobicContact CD1-CD1 4.09Å; L156-L160 HydrophobicContact CD1-CD2 4.23Å; L156-L160 HydrophobicContact CD1-CG 3.97Å; L156-L160 HydrophobicContact CG-CD1 3.9Å; L156-L160 HydrophobicContact CG-CG 4.26Å; L156-L160 VanDerWaalsContact O-CG 3.27Å; L156-L160 WeakPolarHBondContact O-CG 3.48Å; L156-L160 PolarHBondContact O-N 2.88Å; L156-Y180 HydrophobicContact CD2-CE1 4.22Å; L156-Y180 HydrophobicContact CG-CE1 4.4Å
157L98.9Very high98.8Very high0 Ų019.9 Ų19.90%011%0.105CC..Hα-helixtrans-56.9-47.8177.4179.362.9000111.4M20 D153 L159 L160 L161 V181 L184 L190M20-L157 HydrophobicContact SD-CD2 4.12Å; M20-L157 HydrophobicContact SD-CG 4.47Å; D153-L157 VanDerWaalsContact O-CB 3.22Å; D153-L157 WeakPolarHBondContact O-CB 3.44Å; D153-L157 PolarHBondContact O-N 3.32Å; L157-L159 VanDerWaalsContact C-N 3.31Å; L157-L159 PolarHBondContact O-N 3.39Å; L157-L160 PolarHBondContact O-N 2.84Å; L157-L161 HydrophobicContact CD1-CD1 4.27Å; L157-L161 HydrophobicContact CD1-CG 4.21Å; L157-L161 HydrophobicContact CG-CD1 4.06Å; L157-L161 HydrophobicContact CG-CG 4.41Å; L157-L161 VanDerWaalsContact O-CG 3.28Å; L157-L161 WeakPolarHBondContact O-CG 3.37Å; L157-L161 PolarHBondContact O-N 2.79Å; L157-V181 HydrophobicContact CD1-CB 4.25Å; L157-V181 HydrophobicContact CD1-CG1 4.06Å; L157-V181 HydrophobicContact CD1-CG2 4.1Å; L157-L184 HydrophobicContact CD1-CB 4.4Å; L157-L184 HydrophobicContact CD2-CB 3.94Å; L157-L184 HydrophobicContact CD2-CD1 4.5Å; L157-L190 HydrophobicContact CD2-CD2 3.65Å
158D98.9Very high98.8Very high7 Ų720.7 Ų20.74%0.03712%0.115CC..Hα-helixtrans-56.3-47.1174.8-176.262.6000111.9A16 A17 M20 R101 Y154 L156 L160 L161 I162A16-D158 WeakPolarHBondContact CB-OD1 3.47Å; A17-D158 HydrophobicContact CB-CB 4.32Å; M20-D158 HydrophobicContact CE-CB 3.37Å; R101-D158 IonicContact CZ-OD2 2.72Å; R101-D158 IonicContact NH1-OD2 3.16Å; R101-D158 PolarHBondContact NH1-OD2 3.33Å; R101-D158 IonicContact NH2-OD2 2.72Å; R101-D158 PolarHBondContact NH2-OD2 3.01Å; Y154-D158 PolarHBondContact O-N 3.1Å; L156-D158 VanDerWaalsContact C-N 3.34Å; L156-D158 PolarHBondContact O-N 2.75Å; D158-L160 VanDerWaalsContact C-N 3.31Å; D158-L160 PolarHBondContact O-N 3.48Å; D158-L161 PolarHBondContact O-N 2.93Å; D158-I162 WeakPolarHBondContact O-CG1 3.49Å; D158-I162 WeakPolarHBondContact O-CG2 3.47Å; D158-I162 PolarHBondContact O-N 3.13Å
159L98.9Very high98.8Very high0 Ų016.7 Ų16.70%010%0.103CC..Hα-helixtrans-57.4-45.7178.8-171.877.1000111V97 L100 R101 F130 N155 L156 L157 I162 H163V97-L159 HydrophobicContact CB-CD2 4.35Å; V97-L159 HydrophobicContact CG1-CB 4.23Å; V97-L159 HydrophobicContact CG1-CD2 4.08Å; V97-L159 HydrophobicContact CG2-CD2 4.25Å; L100-L159 HydrophobicContact CB-CD1 4.43Å; L100-L159 HydrophobicContact CB-CD2 4.17Å; L100-L159 HydrophobicContact CD2-CD2 3.9Å; L100-L159 HydrophobicContact CD2-CG 4.49Å; L100-L159 HydrophobicContact CG-CD1 4.34Å; L100-L159 HydrophobicContact CG-CD2 4.27Å; R101-L159 HydrophobicContact CB-CD1 4.02Å; F130-L159 HydrophobicContact CE2-CD2 4.14Å; F130-L159 HydrophobicContact CZ-CD2 4.25Å; N155-L159 PolarHBondContact O-N 3.33Å; N155-L159 VanDerWaalsContact O-N 3.09Å; L156-L159 HydrophobicContact CD1-CD2 4.27Å; L156-L159 WeakPolarHBondContact O-CB 3.21Å; L156-L159 PolarHBondContact O-N 3.43Å; L156-L159 VanDerWaalsContact O-N 3.11Å; L157-L159 VanDerWaalsContact C-N 3.31Å; L157-L159 PolarHBondContact O-N 3.39Å; L159-I162 WeakPolarHBondContact O-CG1 3.44Å; L159-H163 PolarHBondContact O-N 2.98Å; L159-H163 PolarHBondContact O-ND1 3.18Å
160L98.9Very high98.8Very high0 Ų017 Ų170%011%0.106CC..Hα-helixtrans-66.6-41.7179.9-62.3169.9000111.4L127 L156 L157 D158 H163 E164 L171 L177 Y180 V181L127-L160 HydrophobicContact CD2-CD2 3.97Å; L156-L160 HydrophobicContact CD1-CD1 4.09Å; L156-L160 HydrophobicContact CD1-CD2 4.23Å; L156-L160 HydrophobicContact CD1-CG 3.97Å; L156-L160 HydrophobicContact CG-CD1 3.9Å; L156-L160 HydrophobicContact CG-CG 4.26Å; L156-L160 VanDerWaalsContact O-CG 3.27Å; L156-L160 WeakPolarHBondContact O-CG 3.48Å; L156-L160 PolarHBondContact O-N 2.88Å; L157-L160 PolarHBondContact O-N 2.84Å; D158-L160 VanDerWaalsContact C-N 3.31Å; D158-L160 PolarHBondContact O-N 3.48Å; L160-H163 PolarHBondContact O-N 3.34Å; L160-E164 PolarHBondContact O-N 2.83Å; L160-L171 HydrophobicContact CB-CD1 4.31Å; L160-L171 HydrophobicContact CD2-CD2 3.81Å; L160-L177 HydrophobicContact CD1-CD2 3.81Å; L160-L177 HydrophobicContact CD2-CD1 4.24Å; L160-L177 HydrophobicContact CD2-CD2 4.18Å; L160-Y180 HydrophobicContact CD1-CD1 4.11Å; L160-Y180 HydrophobicContact CD1-CE1 4.26Å; L160-V181 HydrophobicContact CB-CG2 3.77Å; L160-V181 HydrophobicContact CD1-CG2 3.55Å; L160-V181 HydrophobicContact CG-CG2 4.3Å
161L98.8Very high98.8Very high49 Ų4917.2 Ų17.226%0.25711%0.107SC..Hα-helixtrans-63.3-43.8179.2-69.6175.6000112.6M20 L157 D158 H163 E164 V165 V181 L194M20-L161 HydrophobicContact SD-CD1 4.46Å; L157-L161 HydrophobicContact CD1-CD1 4.27Å; L157-L161 HydrophobicContact CD1-CG 4.21Å; L157-L161 HydrophobicContact CG-CD1 4.06Å; L157-L161 HydrophobicContact CG-CG 4.41Å; L157-L161 VanDerWaalsContact O-CG 3.28Å; L157-L161 WeakPolarHBondContact O-CG 3.37Å; L157-L161 PolarHBondContact O-N 2.79Å; D158-L161 PolarHBondContact O-N 2.93Å; L161-H163 VanDerWaalsContact C-N 3.3Å; L161-H163 PolarHBondContact O-N 2.63Å; L161-E164 PolarHBondContact O-N 2.98Å; L161-V165 PolarHBondContact O-N 2.92Å; L161-V181 HydrophobicContact CD2-CG1 3.88Å; L161-L194 HydrophobicContact CD1-CD2 4.42Å
162I98.8Very high98.7Very high6 Ų623.8 Ų23.83%0.03114%0.142CC..Hα-helixtrans-68.9-30.7177.966.8-179000111.9Y104 D158 L159 V165 L166 I204Y104-I162 HydrophobicContact CD1-CD1 3.82Å; Y104-I162 HydrophobicContact CD2-CD1 4.26Å; Y104-I162 HydrophobicContact CE1-CD1 3.67Å; Y104-I162 HydrophobicContact CE2-CB 4.45Å; Y104-I162 HydrophobicContact CE2-CD1 4.14Å; Y104-I162 HydrophobicContact CE2-CG1 4.26Å; Y104-I162 HydrophobicContact CG-CD1 4.1Å; D158-I162 WeakPolarHBondContact O-CG1 3.49Å; D158-I162 WeakPolarHBondContact O-CG2 3.47Å; D158-I162 PolarHBondContact O-N 3.13Å; L159-I162 WeakPolarHBondContact O-CG1 3.44Å; I162-V165 PolarHBondContact O-N 3.41Å; I162-L166 PolarHBondContact O-N 3.48Å; I162-I204 HydrophobicContact CB-CG2 4.29Å; I162-I204 HydrophobicContact CG2-CD1 4.37Å; I162-I204 HydrophobicContact CG2-CG2 3.65Å
163H98.8Very high98.7Very high0 Ų027.5 Ų27.50%017%0.173CC..Hα-helixtrans-73.7-34.4176.7-78.385000112.7Y119 L123 L159 L160 L161 V165 L166 A167Y119-H163 AromaticContact CE1-CD2 3.96Å; Y119-H163 AromaticContact CE1-NE2 3.68Å; Y119-H163 AromaticContact CZ-NE2 3.7Å; Y119-H163 PolarHBondContact OH-NE2 3.3Å; L123-H163 WeakPolarHBondContact CD1-CD2 3.33Å; L123-H163 HydrophobicContact CD2-CB 4.39Å; L159-H163 PolarHBondContact O-N 2.98Å; L159-H163 PolarHBondContact O-ND1 3.18Å; L160-H163 PolarHBondContact O-N 3.34Å; L161-H163 VanDerWaalsContact C-N 3.3Å; L161-H163 PolarHBondContact O-N 2.63Å; H163-V165 PolarHBondContact O-N 2.86Å; H163-L166 PolarHBondContact O-N 2.96Å; H163-A167 CarbonylContact O-C 3.57Å; H163-A167 PolarHBondContact O-N 2.83Å
164E98.7Very high98.7Very high55 Ų5528.3 Ų28.326%0.25718%0.177SC..Hα-helixtrans-63.1-30.5169.4-85.2-63.9149.100112.4L160 L161 P168 G169 C170 L171L160-E164 PolarHBondContact O-N 2.83Å; L161-E164 PolarHBondContact O-N 2.98Å; E164-P168 VanDerWaalsContact O-CA 3.23Å; E164-P168 WeakPolarHBondContact O-CA 3.49Å; E164-G169 PolarHBondContact OE2-N 2.97Å; E164-C170 PolarHBondContact OE1-N 3.17Å; E164-C170 PolarHBondContact OE1-SG 3.42Å; E164-C170 VanDerWaalsContact OE1-SG 3.38Å; E164-L171 HydrophobicContact CG-CD1 3.73Å; E164-L171 HydrophobicContact CG-CG 3.95Å; E164-L171 VanDerWaalsContact OE1-CB 3.25Å; E164-L171 WeakPolarHBondContact OE1-CB 3.44Å; E164-L171 WeakPolarHBondContact OE1-CG 3.48Å; E164-L171 PolarHBondContact OE1-N 2.87Å
165V98.6Very high98.7Very high62 Ų6232.6 Ų32.638%0.37620%0.204SC..Hα-helixtrans-72.5-44171.1175.60000111.4L161 I162 H163 I204 Q210L161-V165 PolarHBondContact O-N 2.92Å; I162-V165 PolarHBondContact O-N 3.41Å; H163-V165 PolarHBondContact O-N 2.86Å; V165-I204 HydrophobicContact CB-CD1 4.07Å; V165-I204 HydrophobicContact CG1-CD1 3.92Å; V165-I204 HydrophobicContact CG2-CD1 4Å; V165-Q210 HydrophobicContact CG1-CB 3.9Å; V165-Q210 HydrophobicContact CG1-CG 3.68Å
166L98.6Very high98.7Very high4 Ų434.4 Ų34.42%0.02121%0.214CC..Hα-helixtrans-65.1-43.3-178.7179.566.7000112.6Y104 L107 Y112 K116 Y119 I162 H163 Q210Y104-L166 HydrophobicContact CD2-CD2 4.02Å; Y104-L166 HydrophobicContact CE2-CD2 4.14Å; L107-L166 HydrophobicContact CD2-CD1 4.15Å; L107-L166 HydrophobicContact CD2-CD2 3.91Å; Y112-L166 HydrophobicContact CE2-CD1 3.79Å; K116-L166 HydrophobicContact CD-CD1 4.32Å; K116-L166 VanDerWaalsContact CE-O 3.3Å; K116-L166 WeakPolarHBondContact CE-O 3.37Å; K116-L166 PolarHBondContact NZ-O 3.2Å; Y119-L166 HydrophobicContact CD1-CD2 3.83Å; Y119-L166 HydrophobicContact CE1-CD2 3.6Å; I162-L166 PolarHBondContact O-N 3.48Å; H163-L166 PolarHBondContact O-N 2.96Å; L166-Q210 WeakPolarHBondContact CA-OXT 3.43Å; L166-Q210 WeakPolarHBondContact CB-OXT 3.41Å; L166-Q210 WeakPolarHBondContact CD1-OXT 3.14Å
167A98.6Very high98.7Very high13 Ų1334.4 Ų34.411%0.10721%0.214CC..SBendtrans-140.681.2-174.900000110.1V120 L123 H163 G169 C170V120-A167 HydrophobicContact CG1-CB 3.96Å; V120-A167 HydrophobicContact CG2-CB 3.94Å; L123-A167 HydrophobicContact CD2-CB 4.2Å; H163-A167 CarbonylContact O-C 3.57Å; H163-A167 PolarHBondContact O-N 2.83Å; A167-G169 PolarHBondContact O-N 3.37Å; A167-C170 HydrophobicContact CB-CB 4.28Å; A167-C170 WeakPolarHBondContact O-CB 3.49Å; A167-C170 PolarHBondContact O-N 3.3Å
168P98.6Very high98.7Very high107 Ų10737 Ų3770%0.69523%0.232SC*.THydrogen-bonded Turntrans-52.8132-179-2835.4000112.9E164E164-P168 VanDerWaalsContact O-CA 3.23Å; E164-P168 WeakPolarHBondContact O-CA 3.49Å
169G98.3Very high98.7Very high26 Ų2639.1 Ų39.127%0.26825%0.25SS..THydrogen-bonded Turntrans83.98.7-177.400000114.2E164 A167 L171 D172E164-G169 PolarHBondContact OE2-N 2.97Å; A167-G169 PolarHBondContact O-N 3.37Å; G169-L171 PolarHBondContact O-N 2.93Å; G169-L171 VanDerWaalsContact O-N 3.11Å; G169-D172 WeakPolarHBondContact O-CB 3.32Å; G169-D172 PolarHBondContact O-N 2.84Å
170C98.6Very high98.7Very high22 Ų2239.1 Ų39.115%0.14925%0.25CS..THydrogen-bonded Turntrans-60.4-21.1177.470.40000113.4L123 L127 E164 A167 F174L123-C170 HydrophobicContact CD2-CB 3.84Å; L127-C170 HydrophobicContact CD1-CB 4.4Å; E164-C170 PolarHBondContact OE1-N 3.17Å; E164-C170 PolarHBondContact OE1-SG 3.42Å; E164-C170 VanDerWaalsContact OE1-SG 3.38Å; A167-C170 HydrophobicContact CB-CB 4.28Å; A167-C170 WeakPolarHBondContact O-CB 3.49Å; A167-C170 PolarHBondContact O-N 3.3Å; C170-F174 VanDerWaalsContact O-CD2 3.31Å; C170-F174 WeakPolarHBondContact O-CD2 3.28Å; C170-F174 WeakPolarHBondContact O-CE2 3.5Å
171L98.7Very high98.6Very high6 Ų640 Ų403%0.03126%0.256CS..THydrogen-bonded Turntrans-91.6-4.6177.2-57.2-179000114.2L127 L160 E164 G169 A173 F174 L177 V181L127-L171 HydrophobicContact CD1-CD2 4.02Å; L160-L171 HydrophobicContact CB-CD1 4.31Å; L160-L171 HydrophobicContact CD2-CD2 3.81Å; E164-L171 HydrophobicContact CG-CD1 3.73Å; E164-L171 HydrophobicContact CG-CG 3.95Å; E164-L171 VanDerWaalsContact OE1-CB 3.25Å; E164-L171 WeakPolarHBondContact OE1-CB 3.44Å; E164-L171 WeakPolarHBondContact OE1-CG 3.48Å; E164-L171 PolarHBondContact OE1-N 2.87Å; G169-L171 PolarHBondContact O-N 2.93Å; G169-L171 VanDerWaalsContact O-N 3.11Å; L171-A173 PolarHBondContact O-N 2.72Å; L171-F174 CarbonylContact O-C 3.47Å; L171-F174 WeakPolarHBondContact O-CA 3.38Å; L171-F174 PolarHBondContact O-N 2.82Å; L171-L177 HydrophobicContact CD2-CB 4.25Å; L171-L177 HydrophobicContact CD2-CD1 4.42Å; L171-V181 HydrophobicContact CD1-CG2 3.89Å
172D98.5Very high98.6Very high138 Ų13840.7 Ų40.774%0.73827%0.268SS*.THydrogen-bonded Turntrans-61.9-29.2-177.2-71.2-11000112.6G169 F174G169-D172 WeakPolarHBondContact O-CB 3.32Å; G169-D172 PolarHBondContact O-N 2.84Å; D172-F174 VanDerWaalsContact C-N 3.31Å
173A98.2Very high98.6Very high78 Ų7844.2 Ų44.265%0.64528%0.281SS*.THydrogen-bonded Turntrans-84-1.9175.700000114L171L171-A173 PolarHBondContact O-N 2.72Å
174F98.7Very high98.6Very high17 Ų1744.2 Ų44.28%0.07528%0.281CS..  trans-127.976.7-172.2-57.8-71000110.6P124 L127 K128 E131 C170 L171 D172 L176 L177 S178P124-F174 HydrophobicContact CB-CE2 4.3Å; P124-F174 HydrophobicContact CB-CZ 3.97Å; P124-F174 VanDerWaalsContact O-CZ 3.28Å; P124-F174 WeakPolarHBondContact O-CZ 3.32Å; L127-F174 HydrophobicContact CB-CD2 4.32Å; L127-F174 HydrophobicContact CB-CE2 3.9Å; L127-F174 HydrophobicContact CB-CZ 4.05Å; L127-F174 HydrophobicContact CD1-CD2 4.4Å; L127-F174 HydrophobicContact CD1-CE2 4.15Å; K128-F174 HydrophobicContact CB-CE1 4.07Å; E131-F174 HydrophobicContact CB-CD1 3.76Å; E131-F174 HydrophobicContact CG-CB 4.4Å; E131-F174 HydrophobicContact CG-CD1 3.9Å; E131-F174 WeakPolarHBondContact OE2-CB 3.26Å; C170-F174 VanDerWaalsContact O-CD2 3.31Å; C170-F174 WeakPolarHBondContact O-CD2 3.28Å; C170-F174 WeakPolarHBondContact O-CE2 3.5Å; L171-F174 CarbonylContact O-C 3.47Å; L171-F174 WeakPolarHBondContact O-CA 3.38Å; L171-F174 PolarHBondContact O-N 2.82Å; D172-F174 VanDerWaalsContact C-N 3.31Å; F174-L176 VanDerWaalsContact C-N 3.28Å; F174-L176 PolarHBondContact O-N 2.77Å; F174-L177 HydrophobicContact CB-CB 3.93Å; F174-L177 HydrophobicContact CB-CD1 3.87Å; F174-L177 HydrophobicContact CB-CG 4.27Å; F174-L177 HydrophobicContact CD1-CD1 4.48Å; F174-L177 HydrophobicContact CG-CD1 4.1Å; F174-L177 PolarHBondContact O-N 2.91Å; F174-S178 WeakPolarHBondContact O-CB 3.41Å; F174-S178 PolarHBondContact O-N 3.2Å
175P98.6Very high98.6Very high90 Ų9043 Ų4358%0.58428%0.279SS*.Hα-helixtrans-60.1-33.3-172.523.3-34.6000113.7E131 A179E131-P175 VanDerWaalsContact OE1-CD 3.26Å; E131-P175 WeakPolarHBondContact OE1-CD 3.41Å; P175-A179 VanDerWaalsContact O-CB 3.3Å; P175-A179 WeakPolarHBondContact O-CB 3.41Å; P175-A179 PolarHBondContact O-N 3.12Å
176L98.8Very high98.6Very high43 Ų4342.9 Ų42.923%0.22529%0.285CS..Hα-helixtrans-72.8-43178.4-55.2179.5000111.3E131 L134 S135 F174 A179 Y180E131-L176 WeakPolarHBondContact OE1-CB 3.46Å; E131-L176 WeakPolarHBondContact OE1-CG 3.36Å; E131-L176 PolarHBondContact OE1-N 3.24Å; E131-L176 WeakPolarHBondContact OE2-CB 3.46Å; E131-L176 PolarHBondContact OE2-N 2.82Å; L134-L176 HydrophobicContact CB-CB 3.91Å; L134-L176 HydrophobicContact CB-CD1 4.01Å; L134-L176 HydrophobicContact CD1-CB 3.91Å; S135-L176 VanDerWaalsContact CA-CD1 3.47Å; F174-L176 VanDerWaalsContact C-N 3.28Å; F174-L176 PolarHBondContact O-N 2.77Å; L176-A179 PolarHBondContact O-N 2.67Å; L176-Y180 WeakPolarHBondContact O-CB 3.37Å; L176-Y180 PolarHBondContact O-N 3.02Å
177L98.9Very high98.6Very high0 Ų046.2 Ų46.20%030%0.297CS..Hα-helixtrans-62-45.1174.4-73.4173.3000111.6L127 F130 E131 L134 L160 L171 F174 A179 Y180 V181L127-L177 HydrophobicContact CB-CD1 4.35Å; F130-L177 HydrophobicContact CB-CD1 4.25Å; F130-L177 HydrophobicContact CB-CD2 3.76Å; E131-L177 HydrophobicContact CB-CD1 4.06Å; E131-L177 HydrophobicContact CB-CG 4.24Å; E131-L177 WeakPolarHBondContact OE2-CG 3.4Å; E131-L177 PolarHBondContact OE2-N 3.14Å; L134-L177 HydrophobicContact CD1-CD2 3.67Å; L134-L177 HydrophobicContact CD1-CG 4.09Å; L160-L177 HydrophobicContact CD1-CD2 3.81Å; L160-L177 HydrophobicContact CD2-CD1 4.24Å; L160-L177 HydrophobicContact CD2-CD2 4.18Å; L171-L177 HydrophobicContact CD2-CB 4.25Å; L171-L177 HydrophobicContact CD2-CD1 4.42Å; F174-L177 HydrophobicContact CB-CB 3.93Å; F174-L177 HydrophobicContact CB-CD1 3.87Å; F174-L177 HydrophobicContact CB-CG 4.27Å; F174-L177 HydrophobicContact CD1-CD1 4.48Å; F174-L177 HydrophobicContact CG-CD1 4.1Å; F174-L177 PolarHBondContact O-N 2.91Å; L177-A179 PolarHBondContact O-N 2.9Å; L177-Y180 WeakPolarHBondContact O-CB 3.48Å; L177-Y180 PolarHBondContact O-N 3.46Å; L177-V181 WeakPolarHBondContact O-CG2 3.39Å; L177-V181 PolarHBondContact O-N 3.28Å
178S98.7Very high98.7Very high55 Ų5551 Ų5139%0.38533%0.327SS..Hα-helixtrans-58.7-48.7176.5-177.70000111.4F174 Y180 V181 A182F174-S178 WeakPolarHBondContact O-CB 3.41Å; F174-S178 PolarHBondContact O-N 3.2Å; S178-Y180 VanDerWaalsContact C-N 3.32Å; S178-Y180 PolarHBondContact O-N 3.14Å; S178-V181 PolarHBondContact O-N 2.77Å; S178-A182 PolarHBondContact O-N 3.19Å; S178-A182 VanDerWaalsContact O-N 3.11Å
179A98.7Very high98.7Very high50 Ų5051.6 Ų51.641%0.41332%0.318SS..Hα-helixtrans-65.6-32.917600000113.3P175 L176 L177 R183P175-A179 VanDerWaalsContact O-CB 3.3Å; P175-A179 WeakPolarHBondContact O-CB 3.41Å; P175-A179 PolarHBondContact O-N 3.12Å; L176-A179 PolarHBondContact O-N 2.67Å; L177-A179 PolarHBondContact O-N 2.9Å; A179-R183 VanDerWaalsContact O-CB 3.24Å; A179-R183 WeakPolarHBondContact O-CB 3.39Å; A179-R183 PolarHBondContact O-N 2.92Å; A179-R183 PolarHBondContact O-NH1 3.48Å
180Y98.8Very high98.7Very high0 Ų050.3 Ų50.30%031%0.306CS..Hα-helixtrans-66.4-48.6175.9170.3-90.4000111.7L134 D153 L156 L160 L176 L177 S178 A182 R183 L184L134-Y180 HydrophobicContact CD1-CD2 4.37Å; L134-Y180 HydrophobicContact CD1-CG 4.12Å; L134-Y180 HydrophobicContact CD2-CD2 3.8Å; L134-Y180 HydrophobicContact CD2-CE2 4.29Å; L134-Y180 HydrophobicContact CD2-CG 4.38Å; D153-Y180 WeakPolarHBondContact CA-OH 3.43Å; D153-Y180 WeakPolarHBondContact CB-OH 3.4Å; D153-Y180 VanDerWaalsContact CG-OH 3.26Å; D153-Y180 PolarHBondContact O-OH 3.2Å; D153-Y180 VanDerWaalsContact OD1-CE2 3.31Å; D153-Y180 WeakPolarHBondContact OD1-CE2 3.48Å; D153-Y180 PolarHBondContact OD1-OH 3.2Å; L156-Y180 HydrophobicContact CD2-CE1 4.22Å; L156-Y180 HydrophobicContact CG-CE1 4.4Å; L160-Y180 HydrophobicContact CD1-CD1 4.11Å; L160-Y180 HydrophobicContact CD1-CE1 4.26Å; L176-Y180 WeakPolarHBondContact O-CB 3.37Å; L176-Y180 PolarHBondContact O-N 3.02Å; L177-Y180 WeakPolarHBondContact O-CB 3.48Å; L177-Y180 PolarHBondContact O-N 3.46Å; S178-Y180 VanDerWaalsContact C-N 3.32Å; S178-Y180 PolarHBondContact O-N 3.14Å; Y180-A182 PolarHBondContact O-N 2.81Å; Y180-R183 PolarHBondContact O-N 3.24Å; Y180-L184 HydrophobicContact CD1-CD1 4.39Å; Y180-L184 HydrophobicContact CD2-CD1 4.37Å; Y180-L184 HydrophobicContact CD2-CG 4.36Å; Y180-L184 HydrophobicContact CE1-CD1 3.65Å; Y180-L184 HydrophobicContact CE1-CG 4.31Å; Y180-L184 HydrophobicContact CE2-CD1 3.63Å; Y180-L184 HydrophobicContact CE2-CG 4.06Å; Y180-L184 PolarHBondContact O-N 2.95Å; Y180-L184 VanDerWaalsContact OH-CD1 3.26Å; Y180-L184 WeakPolarHBondContact OH-CD1 3.32Å
181V98.8Very high98.7Very high20 Ų2055.6 Ų55.612%0.12133%0.326CS..Hα-helixtrans-56.7-51.3175.3170.60000109.9L157 L160 L161 L171 L177 S178 R183 L184 S185L157-V181 HydrophobicContact CD1-CB 4.25Å; L157-V181 HydrophobicContact CD1-CG1 4.06Å; L157-V181 HydrophobicContact CD1-CG2 4.1Å; L160-V181 HydrophobicContact CB-CG2 3.77Å; L160-V181 HydrophobicContact CD1-CG2 3.55Å; L160-V181 HydrophobicContact CG-CG2 4.3Å; L161-V181 HydrophobicContact CD2-CG1 3.88Å; L171-V181 HydrophobicContact CD1-CG2 3.89Å; L177-V181 WeakPolarHBondContact O-CG2 3.39Å; L177-V181 PolarHBondContact O-N 3.28Å; S178-V181 PolarHBondContact O-N 2.77Å; V181-R183 VanDerWaalsContact C-N 3.33Å; V181-R183 PolarHBondContact O-N 2.85Å; V181-L184 PolarHBondContact O-N 3.48Å; V181-S185 VanDerWaalsContact O-CB 3.27Å; V181-S185 WeakPolarHBondContact O-CB 3.44Å; V181-S185 PolarHBondContact O-N 3.16Å; V181-S185 PolarHBondContact O-OG 3Å; V181-S185 VanDerWaalsContact O-OG 3.11Å
182A98.6Very high98.7Very high62 Ų6258.4 Ų58.451%0.51235%0.35SS..Hα-helixtrans-58-44.3178.800000112.5S178 Y180 A186S178-A182 PolarHBondContact O-N 3.19Å; S178-A182 VanDerWaalsContact O-N 3.11Å; Y180-A182 PolarHBondContact O-N 2.81Å; A182-A186 VanDerWaalsContact O-CB 3.23Å; A182-A186 WeakPolarHBondContact O-CB 3.23Å; A182-A186 PolarHBondContact O-N 2.87Å; A182-A186 VanDerWaalsContact O-N 3.11Å
183R98.7Very high98.7Very high80 Ų8052.6 Ų52.630%0.30232%0.318SS..Hα-helixtrans-65.8-46.2-179.6179.8173.963-101.410.8112.3G140 K141 T142 A179 Y180 V181 A186G140-R183 PolarHBondContact O-NH2 2.94Å; K141-R183 PolarHBondContact O-NE 3.22Å; T142-R183 PolarHBondContact O-NE 2.98Å; T142-R183 VanDerWaalsContact O-NE 3.16Å; T142-R183 PolarHBondContact O-NH2 2.81Å; A179-R183 VanDerWaalsContact O-CB 3.24Å; A179-R183 WeakPolarHBondContact O-CB 3.39Å; A179-R183 PolarHBondContact O-N 2.92Å; A179-R183 PolarHBondContact O-NH1 3.48Å; Y180-R183 PolarHBondContact O-N 3.24Å; V181-R183 VanDerWaalsContact C-N 3.33Å; V181-R183 PolarHBondContact O-N 2.85Å; R183-A186 PolarHBondContact O-N 2.74Å
184L98.8Very high98.7Very high1 Ų150.3 Ų50.31%0.00530%0.295CS..Hα-helixtrans-69.9-46-179.8-66.3-161000111.5F143 I149 D153 L157 Y180 V181 A186 R187 L190F143-L184 HydrophobicContact CD1-CD2 3.86Å; F143-L184 HydrophobicContact CE1-CD2 3.58Å; I149-L184 HydrophobicContact CD1-CD2 4.35Å; D153-L184 HydrophobicContact CB-CD1 4.05Å; L157-L184 HydrophobicContact CD1-CB 4.4Å; L157-L184 HydrophobicContact CD2-CB 3.94Å; L157-L184 HydrophobicContact CD2-CD1 4.5Å; Y180-L184 HydrophobicContact CD1-CD1 4.39Å; Y180-L184 HydrophobicContact CD2-CD1 4.37Å; Y180-L184 HydrophobicContact CD2-CG 4.36Å; Y180-L184 HydrophobicContact CE1-CD1 3.65Å; Y180-L184 HydrophobicContact CE1-CG 4.31Å; Y180-L184 HydrophobicContact CE2-CD1 3.63Å; Y180-L184 HydrophobicContact CE2-CG 4.06Å; Y180-L184 PolarHBondContact O-N 2.95Å; Y180-L184 VanDerWaalsContact OH-CD1 3.26Å; Y180-L184 WeakPolarHBondContact OH-CD1 3.32Å; V181-L184 PolarHBondContact O-N 3.48Å; L184-A186 PolarHBondContact O-N 3.33Å; L184-A186 VanDerWaalsContact O-N 3.11Å; L184-R187 VanDerWaalsContact O-CB 3.3Å; L184-R187 WeakPolarHBondContact O-CB 3.08Å; L184-R187 VanDerWaalsContact O-CG 3.3Å; L184-R187 WeakPolarHBondContact O-CG 3.44Å; L184-R187 PolarHBondContact O-N 3.1Å; L184-L190 WeakPolarHBondContact O-CD2 3.48Å
185S98.7Very high98.7Very high29 Ų2953 Ų5320%0.20332%0.321CS..Hα-helixtrans-61.8-19.6176.5-63.80000113.4V181 K191V181-S185 VanDerWaalsContact O-CB 3.27Å; V181-S185 WeakPolarHBondContact O-CB 3.44Å; V181-S185 PolarHBondContact O-N 3.16Å; V181-S185 PolarHBondContact O-OG 3Å; V181-S185 VanDerWaalsContact O-OG 3.11Å; S185-K191 WeakPolarHBondContact O-CA 3.37Å; S185-K191 VanDerWaalsContact O-CB 3.27Å; S185-K191 WeakPolarHBondContact O-CB 3.28Å
186A98.7Very high98.7Very high60 Ų6049.7 Ų49.750%0.49630%0.299SS..THydrogen-bonded Turntrans-84.8-7.6175.200000114.5A182 R183 L184A182-A186 VanDerWaalsContact O-CB 3.23Å; A182-A186 WeakPolarHBondContact O-CB 3.23Å; A182-A186 PolarHBondContact O-N 2.87Å; A182-A186 VanDerWaalsContact O-N 3.11Å; R183-A186 PolarHBondContact O-N 2.74Å; L184-A186 PolarHBondContact O-N 3.33Å; L184-A186 VanDerWaalsContact O-N 3.11Å
187R98.7Very high98.7Very high74 Ų7452 Ų5228%0.27932%0.317SS..SBendtrans-60.2130.6176.5-68.5171.960.281.3-1.2109.5D24 L184 K189 L190 K191D24-R187 IonicContact OD1-NE 3.41Å; D24-R187 PolarHBondContact OD1-NE 3.38Å; D24-R187 IonicContact OD1-NH2 3.92Å; D24-R187 IonicContact OD2-CZ 3.17Å; D24-R187 IonicContact OD2-NE 2.73Å; D24-R187 PolarHBondContact OD2-NE 3.4Å; D24-R187 IonicContact OD2-NH2 2.75Å; D24-R187 PolarHBondContact OD2-NH2 3.24Å; L184-R187 VanDerWaalsContact O-CB 3.3Å; L184-R187 WeakPolarHBondContact O-CB 3.08Å; L184-R187 VanDerWaalsContact O-CG 3.3Å; L184-R187 WeakPolarHBondContact O-CG 3.44Å; L184-R187 PolarHBondContact O-N 3.1Å; R187-K189 PolarHBondContact O-N 3.33Å; R187-L190 HydrophobicContact CB-CB 4.19Å; R187-L190 PolarHBondContact O-N 2.68Å; R187-K191 VanDerWaalsContact O-CB 3.31Å; R187-K191 WeakPolarHBondContact O-CB 3.4Å; R187-K191 PolarHBondContact O-N 3.38Å
188P98.8Very high98.6Very high114 Ų11458 Ų5874%0.7435%0.345SS*.Hα-helixtrans-54.8-45.6-163.6-30.635.5000115.6A192P188-A192 PolarHBondContact O-N 3.07Å
189K98.8Very high98.6Very high118 Ų11856.2 Ų56.251%0.51333%0.33SS..Hα-helixtrans-72.1-44.8-179.7-65.5-159.7-169.587.10111.7A23 R187 K191 A192 F193A23-K189 WeakPolarHBondContact O-CB 3.3Å; R187-K189 PolarHBondContact O-N 3.33Å; K189-K191 PolarHBondContact O-N 2.97Å; K189-A192 PolarHBondContact O-N 2.96Å; K189-F193 PolarHBondContact O-N 2.68Å
190L98.8Very high98.5Very high0 Ų057.4 Ų57.40%033%0.333CS..Hα-helixtrans-61.6-43.3175.8-174.452.1000112.5M20 D24 L157 L184 R187 A192 F193 L194M20-L190 HydrophobicContact CB-CD1 3.67Å; M20-L190 HydrophobicContact CG-CD1 3.65Å; M20-L190 HydrophobicContact SD-CD1 4.03Å; D24-L190 HydrophobicContact CB-CB 3.99Å; D24-L190 WeakPolarHBondContact OD1-CB 3.48Å; D24-L190 PolarHBondContact OD1-N 2.99Å; L157-L190 HydrophobicContact CD2-CD2 3.65Å; L184-L190 WeakPolarHBondContact O-CD2 3.48Å; R187-L190 HydrophobicContact CB-CB 4.19Å; R187-L190 PolarHBondContact O-N 2.68Å; L190-A192 VanDerWaalsContact C-N 3.32Å; L190-A192 PolarHBondContact O-N 2.83Å; L190-F193 HydrophobicContact CD1-CD1 4.33Å; L190-F193 PolarHBondContact O-N 2.94Å; L190-F193 VanDerWaalsContact O-N 3.16Å; L190-L194 HydrophobicContact CD1-CD1 4.23Å; L190-L194 HydrophobicContact CD1-CD2 4.48Å; L190-L194 HydrophobicContact CD1-CG 4.02Å; L190-L194 HydrophobicContact CG-CD1 4.01Å; L190-L194 HydrophobicContact CG-CG 4.27Å; L190-L194 WeakPolarHBondContact O-CG 3.4Å; L190-L194 PolarHBondContact O-N 3.22Å
191K98.8Very high98.5Very high132 Ų13263.4 Ų63.457%0.57437%0.365SS*.Hα-helixtrans-56.9-46.2175.5-173.7178.5178.2178.30111.5S185 R187 K189 F193 L194 A195S185-K191 WeakPolarHBondContact O-CA 3.37Å; S185-K191 VanDerWaalsContact O-CB 3.27Å; S185-K191 WeakPolarHBondContact O-CB 3.28Å; R187-K191 VanDerWaalsContact O-CB 3.31Å; R187-K191 WeakPolarHBondContact O-CB 3.4Å; R187-K191 PolarHBondContact O-N 3.38Å; K189-K191 PolarHBondContact O-N 2.97Å; K191-F193 VanDerWaalsContact C-N 3.33Å; K191-L194 PolarHBondContact O-N 3.07Å; K191-A195 PolarHBondContact O-N 3.2Å
192A98.8Very high98.4Very high65 Ų6564.6 Ų64.654%0.53737%0.37SS..Hα-helixtrans-62.5-41.6177.400000111.6P188 K189 L190 A195 S196P188-A192 PolarHBondContact O-N 3.07Å; K189-A192 PolarHBondContact O-N 2.96Å; L190-A192 VanDerWaalsContact C-N 3.32Å; L190-A192 PolarHBondContact O-N 2.83Å; A192-A195 PolarHBondContact O-N 2.73Å; A192-S196 PolarHBondContact O-N 3.28Å
193F98.8Very high98.4Very high17 Ų1764.7 Ų64.78%0.07537%0.365CS..Hα-helixtrans-66.3-45.7176.7173.9-101.6000113.1R19 M20 A23 W29 K189 L190 K191 A195 S196 H199R19-F193 HydrophobicContact CB-CE1 4.15Å; R19-F193 HydrophobicContact CB-CE2 4.32Å; R19-F193 HydrophobicContact CB-CZ 3.57Å; M20-F193 HydrophobicContact CG-CD1 4.07Å; M20-F193 HydrophobicContact CG-CE1 3.82Å; A23-F193 HydrophobicContact CB-CB 3.55Å; A23-F193 HydrophobicContact CB-CD1 4.07Å; A23-F193 HydrophobicContact CB-CD2 3.72Å; A23-F193 HydrophobicContact CB-CE2 4.5Å; A23-F193 HydrophobicContact CB-CG 3.48Å; A23-F193 VanDerWaalsContact CB-CG 3.48Å; W29-F193 HydrophobicContact CH2-CD2 4.19Å; W29-F193 AromaticContact CH2-CE2 3.95Å; W29-F193 HydrophobicContact CH2-CE2 3.95Å; W29-F193 HydrophobicContact CZ2-CE2 4.01Å; K189-F193 PolarHBondContact O-N 2.68Å; L190-F193 HydrophobicContact CD1-CD1 4.33Å; L190-F193 PolarHBondContact O-N 2.94Å; L190-F193 VanDerWaalsContact O-N 3.16Å; K191-F193 VanDerWaalsContact C-N 3.33Å; F193-A195 PolarHBondContact O-N 3.1Å; F193-S196 VanDerWaalsContact O-CB 3.32Å; F193-S196 WeakPolarHBondContact O-CB 3.49Å; F193-S196 PolarHBondContact O-N 3.37Å; F193-S196 PolarHBondContact O-OG 3.29Å; F193-H199 HydrophobicContact CE1-CB 4.24Å; F193-H199 AromaticContact CE1-ND1 3.76Å; F193-H199 HydrophobicContact CE2-CB 4.5Å; F193-H199 HydrophobicContact CZ-CB 4.13Å; F193-H199 VanDerWaalsContact O-CB 3.3Å; F193-H199 WeakPolarHBondContact O-CB 3.34Å
194L98.7Very high98.4Very high30 Ų3061.3 Ų61.316%0.15735%0.353CS..Hα-helixtrans-62.4-26.2178.8-70.8175.6000112.7M20 L161 L190 K191 H199 V200M20-L194 HydrophobicContact CG-CD2 4.22Å; M20-L194 HydrophobicContact SD-CD2 3.78Å; L161-L194 HydrophobicContact CD1-CD2 4.42Å; L190-L194 HydrophobicContact CD1-CD1 4.23Å; L190-L194 HydrophobicContact CD1-CD2 4.48Å; L190-L194 HydrophobicContact CD1-CG 4.02Å; L190-L194 HydrophobicContact CG-CD1 4.01Å; L190-L194 HydrophobicContact CG-CG 4.27Å; L190-L194 WeakPolarHBondContact O-CG 3.4Å; L190-L194 PolarHBondContact O-N 3.22Å; K191-L194 PolarHBondContact O-N 3.07Å; L194-H199 PolarHBondContact O-CD2 3.31Å; L194-H199 VanDerWaalsContact O-CD2 3.27Å; L194-V200 WeakPolarHBondContact O-CG2 3.35Å
195A98.6Very high98.4Very high74 Ų7461.5 Ų61.561%0.61235%0.354SS*.THydrogen-bonded Turntrans-90.6-5174.600000113.8K191 A192 F193K191-A195 PolarHBondContact O-N 3.2Å; A192-A195 PolarHBondContact O-N 2.73Å; F193-A195 PolarHBondContact O-N 3.1Å
196S98.6Very high98.3Very high20 Ų2062.7 Ų62.714%0.1437%0.371CS..SBendtrans-75.5151.8-175.185.60000111.6A192 F193 E198 H199 V200A192-S196 PolarHBondContact O-N 3.28Å; F193-S196 VanDerWaalsContact O-CB 3.32Å; F193-S196 WeakPolarHBondContact O-CB 3.49Å; F193-S196 PolarHBondContact O-N 3.37Å; F193-S196 PolarHBondContact O-OG 3.29Å; S196-E198 PolarHBondContact O-N 2.86Å; S196-E198 PolarHBondContact OG-N 3.14Å; S196-H199 PolarHBondContact O-N 3.29Å; S196-H199 VanDerWaalsContact O-N 3.12Å; S196-H199 PolarHBondContact OG-N 3.4Å; S196-V200 WeakPolarHBondContact O-CB 3.48Å; S196-V200 WeakPolarHBondContact O-CG2 3.48Å; S196-V200 PolarHBondContact O-N 3.5Å
197P97.9Very high98.3Very high90 Ų9062.6 Ų62.658%0.58436%0.362SS*.Hα-helixtrans-57.1-33.5173.7-2635.4000113.3H199 N201P197-H199 PolarHBondContact O-N 3.38Å; P197-N201 WeakPolarHBondContact O-CB 3.31Å; P197-N201 PolarHBondContact O-N 2.9Å
198E96.7Very high98.2Very high128 Ų12862.4 Ų62.460%0.59838%0.383SS*.Hα-helixtrans-63-30.4178.8-63.9172.8-123.300112.5S196 L202S196-E198 PolarHBondContact O-N 2.86Å; S196-E198 PolarHBondContact OG-N 3.14Å; E198-L202 VanDerWaalsContact O-CD1 3.24Å; E198-L202 WeakPolarHBondContact O-CD1 3.19Å; E198-L202 WeakPolarHBondContact O-CG 3.38Å
199H98.2Very high98.1Very high16 Ų1659.8 Ų59.87%0.07436%0.36CS..Hα-helixtrans-89.6-51.1173.4-178.479.9000111.8R12 F193 L194 S196 P197 N201 L202R12-H199 VanDerWaalsContact CZ-O 3.32Å; R12-H199 PolarHBondContact NE-O 3.38Å; R12-H199 PolarHBondContact NH1-NE2 2.91Å; R12-H199 VanDerWaalsContact NH1-NE2 3.15Å; R12-H199 PolarHBondContact NH2-O 3.23Å; F193-H199 HydrophobicContact CE1-CB 4.24Å; F193-H199 AromaticContact CE1-ND1 3.76Å; F193-H199 HydrophobicContact CE2-CB 4.5Å; F193-H199 HydrophobicContact CZ-CB 4.13Å; F193-H199 VanDerWaalsContact O-CB 3.3Å; F193-H199 WeakPolarHBondContact O-CB 3.34Å; L194-H199 PolarHBondContact O-CD2 3.31Å; L194-H199 VanDerWaalsContact O-CD2 3.27Å; S196-H199 PolarHBondContact O-N 3.29Å; S196-H199 VanDerWaalsContact O-N 3.12Å; S196-H199 PolarHBondContact OG-N 3.4Å; P197-H199 PolarHBondContact O-N 3.38Å; H199-N201 PolarHBondContact O-N 3.43Å; H199-L202 PolarHBondContact O-N 3.39Å
200V97.8Very high98Very high76 Ų7658.7 Ų58.746%0.46136%0.357SS..Hα-helixtrans-65.1-41.1-170.8174.50000111.9R12 L194 S196 L202R12-V200 PolarHBondContact NH2-O 3.24Å; L194-V200 WeakPolarHBondContact O-CG2 3.35Å; S196-V200 WeakPolarHBondContact O-CB 3.48Å; S196-V200 WeakPolarHBondContact O-CG2 3.48Å; S196-V200 PolarHBondContact O-N 3.5Å; V200-L202 VanDerWaalsContact C-N 3.3Å; V200-L202 PolarHBondContact O-N 3.41Å
201N97.8Very high98Very high126 Ų12661.7 Ų61.767%0.67438%0.375SS*.THydrogen-bonded Turntrans-81.4-7.8-175.4-62.3-16.5000113.6P197 H199P197-N201 WeakPolarHBondContact O-CB 3.31Å; P197-N201 PolarHBondContact O-N 2.9Å; H199-N201 PolarHBondContact O-N 3.43Å
202L97.8Very high97.9Very high44 Ų4457.9 Ų57.923%0.2336%0.364CS..SBendtrans-85129.1172.4-71.2-178.2000110.3P10 R12 E198 H199 V200P10-L202 HydrophobicContact CB-CD2 4.45Å; R12-L202 HydrophobicContact CG-CB 3.86Å; R12-L202 PolarHBondContact NE-O 3.25Å; E198-L202 VanDerWaalsContact O-CD1 3.24Å; E198-L202 WeakPolarHBondContact O-CD1 3.19Å; E198-L202 WeakPolarHBondContact O-CG 3.38Å; H199-L202 PolarHBondContact O-N 3.39Å; V200-L202 VanDerWaalsContact C-N 3.3Å; V200-L202 PolarHBondContact O-N 3.41Å
203P98.4Very high97.9Very high64 Ų6457.6 Ų57.642%0.41636%0.355SS..  trans-65.8150.917230.1-35.7000110.4V11 R12 N205V11-P203 CarbonylContact C-O 3.48Å; V11-P203 WeakPolarHBondContact CA-O 3.32Å; V11-P203 HydrophobicContact CG1-CG 4.22Å; R12-P203 PolarHBondContact N-O 3.27Å; P203-N205 PolarHBondContact O-N 2.91Å
204I98.6Very high97.8Very high10 Ų1059.9 Ų59.95%0.05137%0.371CS..SBendtrans-61.3-47.4178.8-63.7174.4000110.2G13 Y104 I162 V165 Q210G13-I204 PolarHBondContact N-O 3.43Å; Y104-I204 WeakPolarHBondContact OH-CG2 3.37Å; I162-I204 HydrophobicContact CB-CG2 4.29Å; I162-I204 HydrophobicContact CG2-CD1 4.37Å; I162-I204 HydrophobicContact CG2-CG2 3.65Å; V165-I204 HydrophobicContact CB-CD1 4.07Å; V165-I204 HydrophobicContact CG1-CD1 3.92Å; V165-I204 HydrophobicContact CG2-CD1 4Å; I204-Q210 HydrophobicContact CD1-CB 4.13Å
205N98.6Very high97.8Very high4 Ų461.8 Ų61.82%0.02139%0.385CS..SBendtrans-125.4162.2-177.7-52.6-62.3000111.7Y104 I108 Y109 P203 N207 K209Y104-N205 PolarHBondContact OH-ND2 2.54Å; I108-N205 HydrophobicContact CG2-CB 3.81Å; Y109-N205 HydrophobicContact CE2-CB 4.4Å; P203-N205 PolarHBondContact O-N 2.91Å; N205-N207 PolarHBondContact O-N 3.1Å; N205-K209 WeakPolarHBondContact CB-O 3.49Å; N205-K209 PolarHBondContact ND2-O 3.1Å
206G97.6Very high97.7Very high54 Ų5461 Ų6156%0.55737%0.37SS*.THydrogen-bonded Turntrans-82-7-174.900000115.8Y109Y109-G206 PolarHBondContact OH-N 3Å
207N97.2Very high97.7Very high59 Ų5963.9 Ų63.932%0.31639%0.386SS..THydrogen-bonded Turntrans-107.810.8-177.670-11.7000113.8I108 Y109 N205 K209I108-N207 PolarHBondContact O-ND2 2.88Å; Y109-N207 HydrophobicContact CD1-CB 4.31Å; Y109-N207 HydrophobicContact CE1-CB 4.14Å; N205-N207 PolarHBondContact O-N 3.1Å; N207-K209 PolarHBondContact O-N 3.46Å; N207-K209 PolarHBondContact OD1-N 3.23Å
208G96.4Very high97.7Very high70 Ų7061.9 Ų61.972%0.72237%0.371SS*.SBendtrans75.1-2.6-179.500000115.5
209K97.9Very high97.7Very high59 Ų5956.4 Ų56.426%0.25735%0.352SS..  trans-90.8150.7175.1-51.4-173.7-170.7-177.50110.4I108 Y112 E113 N205 N207I108-K209 HydrophobicContact CG2-CB 4.45Å; Y112-K209 HydrophobicContact CD1-CD 3.91Å; Y112-K209 HydrophobicContact CD2-CB 4.12Å; Y112-K209 HydrophobicContact CD2-CD 4.13Å; Y112-K209 HydrophobicContact CE2-CB 4.12Å; Y112-K209 HydrophobicContact CG-CB 4.39Å; Y112-K209 HydrophobicContact CG-CD 3.63Å; E113-K209 WeakPolarHBondContact OE1-CE 3.49Å; E113-K209 IonicContact OE1-NZ 3.21Å; E113-K209 PolarHBondContact OE1-NZ 3.27Å; E113-K209 IonicContact OE2-NZ 2.76Å; E113-K209 PolarHBondContact OE2-NZ 3.15Å; N205-K209 WeakPolarHBondContact CB-O 3.49Å; N205-K209 PolarHBondContact ND2-O 3.1Å; N207-K209 PolarHBondContact O-N 3.46Å; N207-K209 PolarHBondContact OD1-N 3.23Å
210Q96.6Very high97.7Very high95 Ų9560.1 Ų60.144%0.44438%0.377SS..  trans-152.80179.258.7-172.918.400111.7Y112 V165 L166 I204Y112-Q210 WeakPolarHBondContact CE2-O 3.46Å; Y112-Q210 PolarHBondContact OH-O 2.92Å; V165-Q210 HydrophobicContact CG1-CB 3.9Å; V165-Q210 HydrophobicContact CG1-CG 3.68Å; L166-Q210 WeakPolarHBondContact CA-OXT 3.43Å; L166-Q210 WeakPolarHBondContact CB-OXT 3.41Å; L166-Q210 WeakPolarHBondContact CD1-OXT 3.14Å; I204-Q210 HydrophobicContact CD1-CB 4.13Å

Retrieved 210 of 210 residues in 168.4 ms (Link to these results)

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