A0A087YCT5_POEFO Loading...

RAR-related orphan receptor B

Nuclear receptor that binds DNA as a monomer to ROR response elements (RORE). Required for proper cerebellum development.

AlphaFold DB , UniProt , Accession A0A087YCT5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 472 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M46.8Very low66.7Low150 Ų15079.8 Ų79.874%0.73940%0.399SS*.  0-33.80-138.2177.9-74.400114.7A3M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 3.48Å
2R45.2Very low69.1Low233 Ų23373.2 Ų73.288%0.87937%0.366SS*.G310 helixtrans-56.6-40.2178.1-77.6-177.2175.6165.7-0.3114.5Q4 I5R2-Q4 VanDerWaalsContact C-N 3.26Å; R2-Q4 PolarHBondContact O-N 3.42Å; R2-Q4 VanDerWaalsContact O-N 3.1Å; R2-I5 PolarHBondContact O-N 2.79Å
3A44.2Very low71.1Confident85 Ų8567.8 Ų67.870%0.70234%0.34SS*.G310 helixtrans-66.5-9.6-170.100000117.1M1M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 3.48Å
4Q54.4Low72.6Confident95 Ų9566.8 Ų66.844%0.44436%0.355SS..G310 helixtrans-99.3-13.2-179-76.3173.6-25.300114R2R2-Q4 VanDerWaalsContact C-N 3.26Å; R2-Q4 PolarHBondContact O-N 3.42Å; R2-Q4 VanDerWaalsContact O-N 3.1Å
5I58.6Low73.9Confident26 Ų2664.2 Ų64.213%0.13334%0.341CS..G310 helixtrans-82-24.5-176.3-54.9176.8000111.7R2 V7 I8 S17 I25 L93R2-I5 PolarHBondContact O-N 2.79Å; I5-V7 PolarHBondContact O-N 3.11Å; I5-I8 PolarHBondContact O-N 3.44Å; I5-S17 PolarHBondContact O-OG 3.47Å; I5-I25 HydrophobicContact CG2-CG2 4.13Å; I5-L93 HydrophobicContact CD1-CD2 4.19Å; I5-L93 HydrophobicContact CG1-CD2 4.36Å
6E59.7Low75Confident97 Ų9768.4 Ų68.445%0.45336%0.356SS..G310 helixtrans-61.5-14.2-178.5-62.5-170-166.600114.7I8 K16E6-I8 VanDerWaalsContact C-N 3.34Å; E6-K16 WeakPolarHBondContact OE2-CE 3.36Å; E6-K16 IonicContact OE2-NZ 2.65Å; E6-K16 PolarHBondContact OE2-NZ 3.14Å
7V65.3Low76Confident48 Ų4864.6 Ų64.629%0.29134%0.336SS..G310 helixtrans-72.7-27175.8-174.70000111.9I5 Q101 L104I5-V7 PolarHBondContact O-N 3.11Å; V7-Q101 HydrophobicContact CG1-CG 4.08Å; V7-L104 HydrophobicContact CG1-CD1 3.83Å
8I81Confident76.7Confident2 Ų263.9 Ų63.91%0.0134%0.337CS..SBendtrans-91.5124.8-179.4-61175.3000109.4I5 E6 S17 I25 L93 V97I5-I8 PolarHBondContact O-N 3.44Å; E6-I8 VanDerWaalsContact C-N 3.34Å; I8-S17 WeakPolarHBondContact O-CB 3.08Å; I8-S17 PolarHBondContact O-OG 3.37Å; I8-I25 HydrophobicContact CB-CD1 4.25Å; I8-I25 HydrophobicContact CB-CG2 4.28Å; I8-I25 HydrophobicContact CD1-CD1 3.8Å; I8-I25 HydrophobicContact CG2-CD1 3.8Å; I8-I25 HydrophobicContact CG2-CG2 4.05Å; I8-L93 HydrophobicContact CD1-CD1 4.27Å; I8-V97 HydrophobicContact CD1-CB 4.47Å; I8-V97 HydrophobicContact CD1-CG2 3.54Å; I8-V97 HydrophobicContact CG1-CG2 4.19Å
9P90.6Very high77.1Confident55 Ų5561.1 Ų61.136%0.35733%0.326SS..BIsolated β-bridgetrans-68153.9177.227.8-34.5000112.4K11P9-K11 PolarHBondContact O-N 3.25Å; P9-K11 VanDerWaalsContact O-N 3.13Å
10C94.6Very high77.5Confident2 Ų260.9 Ų60.91%0.01432%0.324CS..  trans-56.2115.1177.5172.70000111.2I12 C13 G14 D15 C27C10-I12 PolarHBondContact O-N 3.43Å; C10-C13 PolarHBondContact O-N 2.75Å; C10-C13 VanDerWaalsContact O-N 3.15Å; C10-C13 VanDerWaalsContact SG-SG 3.69Å; C10-G14 WeakPolarHBondContact O-CA 3.49Å; C10-G14 PolarHBondContact O-N 3.46Å; C10-D15 WeakPolarHBondContact CB-O 3.34Å; C10-D15 PolarHBondContact N-O 3.33Å; C10-C27 HydrophobicContact CB-CB 3.97Å; C10-C27 PolarHBondContact SG-N 3.33Å; C10-C27 VanDerWaalsContact SG-SG 3.64Å
11K93.2Very high78Confident85 Ų8559.4 Ų59.437%0.3732%0.315SS..THydrogen-bonded Turntrans-59.5-21.7-176-63-78.7-174.4164.50113.4P9 V24 I25 L73 E96P9-K11 PolarHBondContact O-N 3.25Å; P9-K11 VanDerWaalsContact O-N 3.13Å; K11-V24 HydrophobicContact CB-CG1 4.08Å; K11-V24 HydrophobicContact CG-CG1 4.42Å; K11-I25 HydrophobicContact CG-CB 4.37Å; K11-I25 PolarHBondContact N-O 2.81Å; K11-L73 HydrophobicContact CB-CD1 4.31Å; K11-L73 WeakPolarHBondContact O-CD1 3.36Å; K11-E96 IonicContact NZ-OE1 2.63Å; K11-E96 PolarHBondContact NZ-OE1 2.99Å; K11-E96 IonicContact NZ-OE2 3.77Å
12I95.7Very high80Confident0 Ų054.4 Ų54.40%029%0.288CS..THydrogen-bonded Turntrans-78.8-45177.7-46.5-50.1000112.6C10 T26 C30 I54 R66 K69 C70 L73 M75C10-I12 PolarHBondContact O-N 3.43Å; I12-T26 HydrophobicContact CD1-CG2 4.28Å; I12-T26 HydrophobicContact CG1-CG2 3.68Å; I12-C30 HydrophobicContact CB-CB 4.2Å; I12-C30 HydrophobicContact CG1-CB 4.13Å; I12-C30 HydrophobicContact CG2-CB 4.45Å; I12-I54 HydrophobicContact CG2-CG2 4.21Å; I12-I54 WeakPolarHBondContact O-CG2 3.49Å; I12-R66 HydrophobicContact CG2-CG 4.41Å; I12-K69 HydrophobicContact CG2-CD 4.44Å; I12-K69 WeakPolarHBondContact O-CD 3.45Å; I12-K69 VanDerWaalsContact O-CE 3.22Å; I12-K69 WeakPolarHBondContact O-CE 3.3Å; I12-K69 PolarHBondContact O-NZ 3.47Å; I12-C70 HydrophobicContact CD1-CB 4.49Å; I12-L73 HydrophobicContact CD1-CB 4.24Å; I12-L73 HydrophobicContact CD1-CD1 3.68Å; I12-M75 HydrophobicContact CD1-SD 4.07Å; I12-M75 HydrophobicContact CG1-SD 4.18Å
13C94.8Very high81.8Confident4 Ų445.7 Ų45.73%0.02727%0.271CS..THydrogen-bonded Turntrans-139.97.8-167.270.90000115.8C10 D15 I54 D55 R56 R59C10-C13 PolarHBondContact O-N 2.75Å; C10-C13 VanDerWaalsContact O-N 3.15Å; C10-C13 VanDerWaalsContact SG-SG 3.69Å; C13-D15 PolarHBondContact O-N 2.89Å; C13-D15 VanDerWaalsContact O-N 3.09Å; C13-I54 HydrophobicContact CB-CG2 4.1Å; C13-D55 CarbonylContact O-C 3.37Å; C13-D55 VanDerWaalsContact O-C 3.25Å; C13-D55 WeakPolarHBondContact O-CA 3.48Å; C13-R56 PolarHBondContact O-N 3.41Å; C13-R59 HydrophobicContact CB-CB 4.22Å; C13-R59 PolarHBondContact SG-NH1 2.67Å
14G91.8Very high83.9Confident53 Ų5342.3 Ų42.355%0.54624%0.241SC..SBendtrans72.8-6.2177.700000116.4C10C10-G14 WeakPolarHBondContact O-CA 3.49Å; C10-G14 PolarHBondContact O-N 3.46Å
15D93.2Very high85.6Confident28 Ų2838.4 Ų38.415%0.1522%0.223CC..SBendtrans-68.2161.9177.3-160.111.1000112.4C10 C13 S17 C27 R56 R59C10-D15 WeakPolarHBondContact CB-O 3.34Å; C10-D15 PolarHBondContact N-O 3.33Å; C13-D15 PolarHBondContact O-N 2.89Å; C13-D15 VanDerWaalsContact O-N 3.09Å; D15-S17 PolarHBondContact O-N 2.85Å; D15-C27 HydrophobicContact CB-CB 4.32Å; D15-R56 HydrophobicContact CB-CB 4.48Å; D15-R56 HydrophobicContact CB-CG 4.13Å; D15-R56 WeakPolarHBondContact OD1-CD 3.48Å; D15-R56 IonicContact OD1-CZ 3.79Å; D15-R56 IonicContact OD1-NE 3.08Å; D15-R56 PolarHBondContact OD1-NE 2.91Å; D15-R56 VanDerWaalsContact OD1-NE 3.08Å; D15-R59 IonicContact OD2-CZ 3.28Å; D15-R59 VanDerWaalsContact OD2-CZ 3.28Å; D15-R59 IonicContact OD2-NH1 3.42Å; D15-R59 PolarHBondContact OD2-NH1 3.43Å; D15-R59 IonicContact OD2-NH2 3.01Å; D15-R59 PolarHBondContact OD2-NH2 3.13Å
16K91.4Very high87.3Confident132 Ų13237.1 Ų37.157%0.57422%0.217SC*.BIsolated β-bridgetrans-55.8125.3-179.7-172.2-179177.7-173.90110.4E6 C27E6-K16 WeakPolarHBondContact OE2-CE 3.36Å; E6-K16 IonicContact OE2-NZ 2.65Å; E6-K16 PolarHBondContact OE2-NZ 3.14Å; K16-C27 WeakPolarHBondContact O-CB 3.29Å
17S91.3Very high89Confident4 Ų432.7 Ų32.73%0.02820%0.197CC..PPolyproline II helixtrans-76154.417976.60000111.4I5 I8 D15 T26I5-S17 PolarHBondContact O-OG 3.47Å; I8-S17 WeakPolarHBondContact O-CB 3.08Å; I8-S17 PolarHBondContact O-OG 3.37Å; D15-S17 PolarHBondContact O-N 2.85Å; S17-T26 WeakPolarHBondContact CA-O 3.5Å
18S88.4Confident90.4Very high51 Ų5135.1 Ų35.136%0.35720%0.204SC..  trans-115.78.1175.158.20000112.5H21 T26 E28S18-H21 PolarHBondContact OG-NE2 3.45Å; S18-T26 PolarHBondContact N-O 3.25Å; S18-E28 WeakPolarHBondContact CB-OE1 3.09Å; S18-E28 WeakPolarHBondContact OG-CG 3.44Å; S18-E28 PolarHBondContact OG-N 3.17Å; S18-E28 PolarHBondContact OG-OE1 2.85Å
19G85.3Confident91.1Very high11 Ų1136.5 Ų36.511%0.11322%0.22CC..EExtended strand (participates in β ladder)trans132.5-170-177.100000113.4H21 I25 T26G19-H21 PolarHBondContact O-CD2 3.29Å; G19-I25 WeakPolarHBondContact O-CA 3.48Å; G19-T26 PolarHBondContact O-N 3.44Å
20I84.4Confident91.4Very high57 Ų5733.9 Ų33.929%0.29220%0.203SC..EExtended strand (participates in β ladder)trans-88.9123170.8-65.6169000108.1V24 I25 M85 L93I20-V24 WeakPolarHBondContact CA-O 3.18Å; I20-I25 HydrophobicContact CD1-CG1 4.41Å; I20-I25 HydrophobicContact CG1-CG1 3.73Å; I20-M85 HydrophobicContact CD1-CE 4.41Å; I20-M85 HydrophobicContact CD1-SD 3.59Å; I20-M85 VanDerWaalsContact CD1-SD 3.59Å; I20-L93 HydrophobicContact CD1-CD1 4.19Å; I20-L93 HydrophobicContact CD1-CD2 3.72Å
21H88.6Confident91.4Very high29 Ų2936.3 Ų36.313%0.13421%0.213CC..EExtended strand (participates in β ladder)trans-128.8132.9176.3-50.9-79.5000108.7S18 G19 G23 V24 T26 E28 K31S18-H21 PolarHBondContact OG-NE2 3.45Å; G19-H21 PolarHBondContact O-CD2 3.29Å; H21-G23 PolarHBondContact O-N 3.25Å; H21-G23 VanDerWaalsContact O-N 3.13Å; H21-V24 PolarHBondContact N-O 3.1Å; H21-V24 PolarHBondContact O-N 3.43Å; H21-V24 VanDerWaalsContact O-N 3.1Å; H21-V24 VanDerWaalsContact O-O 3.12Å; H21-T26 PolarHBondContact CD2-OG1 3.34Å; H21-T26 VanDerWaalsContact CD2-OG1 3.31Å; H21-E28 IonicContact CE1-OE1 2.68Å; H21-E28 PolarHBondContact CE1-OE1 3.12Å; H21-E28 IonicContact NE2-OE1 3.64Å; H21-E28 PolarHBondContact NE2-OE1 3.08Å; H21-K31 HydrophobicContact CB-CB 4Å; H21-K31 HydrophobicContact CB-CD 4.29Å; H21-K31 HydrophobicContact CB-CG 3.81Å; H21-K31 PolarHBondContact CE1-NZ 3.43Å; H21-K31 WeakPolarHBondContact ND1-CD 3.45Å; H21-K31 WeakPolarHBondContact ND1-CE 3.32Å
22Y87.7Confident91.5Very high46 Ų4632.9 Ų32.918%0.1820%0.201CC..THydrogen-bonded Turntrans54.827.4-177.8-56.2-79.5000114.2K31 F34 R35 M75 S76 V80Y22-K31 HydrophobicContact CE2-CG 4.09Å; Y22-F34 AromaticContact CD1-CD1 3.99Å; Y22-F34 HydrophobicContact CD1-CD1 3.99Å; Y22-F34 AromaticContact CD1-CE1 3.87Å; Y22-F34 HydrophobicContact CD1-CE1 3.87Å; Y22-F34 AromaticContact CD2-CD1 3.69Å; Y22-F34 HydrophobicContact CD2-CD1 3.69Å; Y22-F34 HydrophobicContact CD2-CE1 4.31Å; Y22-F34 HydrophobicContact CE1-CD1 4.41Å; Y22-F34 HydrophobicContact CE2-CD1 4.13Å; Y22-F34 AromaticContact CG-CD1 3.62Å; Y22-F34 HydrophobicContact CG-CD1 3.62Å; Y22-F34 AromaticContact CG-CE1 3.76Å; Y22-F34 HydrophobicContact CG-CE1 3.76Å; Y22-R35 HydrophobicContact CE2-CB 4.36Å; Y22-R35 WeakPolarHBondContact OH-CB 3.48Å; Y22-R35 WeakPolarHBondContact OH-CD 3.37Å; Y22-R35 VanDerWaalsContact OH-CG 3.29Å; Y22-R35 WeakPolarHBondContact OH-CG 3.32Å; Y22-M75 HydrophobicContact CD2-CE 3.76Å; Y22-M75 HydrophobicContact CG-CE 4.22Å; Y22-M75 CarbonylContact O-C 3.57Å; Y22-M75 VanDerWaalsContact O-CA 3.31Å; Y22-M75 WeakPolarHBondContact O-CA 3.25Å; Y22-S76 WeakPolarHBondContact CB-O 3.41Å; Y22-S76 WeakPolarHBondContact CD1-O 3.32Å; Y22-S76 PolarHBondContact O-N 3.32Å; Y22-V80 HydrophobicContact CD1-CG2 3.42Å; Y22-V80 VanDerWaalsContact CD1-CG2 3.42Å; Y22-V80 HydrophobicContact CE1-CG2 3.64Å; Y22-V80 HydrophobicContact CG-CG2 4.3Å
23G84.1Confident91.5Very high49 Ų4933.3 Ų33.351%0.50520%0.203SC..THydrogen-bonded Turntrans96.7-11-178.800000115.8H21H21-G23 PolarHBondContact O-N 3.25Å; H21-G23 VanDerWaalsContact O-N 3.13Å
24V88.8Confident91.5Very high14 Ų1433.1 Ų33.19%0.08520%0.202CC..EExtended strand (participates in β ladder)trans-125.3142.7-173-172.50000112.2K11 I20 H21 T26 L73 M75K11-V24 HydrophobicContact CB-CG1 4.08Å; K11-V24 HydrophobicContact CG-CG1 4.42Å; I20-V24 WeakPolarHBondContact CA-O 3.18Å; H21-V24 PolarHBondContact N-O 3.1Å; H21-V24 PolarHBondContact O-N 3.43Å; H21-V24 VanDerWaalsContact O-N 3.1Å; H21-V24 VanDerWaalsContact O-O 3.12Å; V24-T26 HydrophobicContact CB-CG2 4.08Å; V24-T26 HydrophobicContact CG1-CG2 3.97Å; V24-T26 PolarHBondContact O-N 2.92Å; V24-T26 VanDerWaalsContact O-N 3.13Å; V24-T26 PolarHBondContact O-OG1 3.22Å; V24-L73 WeakPolarHBondContact CG2-O 3.34Å; V24-M75 HydrophobicContact CB-CG 3.78Å; V24-M75 HydrophobicContact CG2-CB 4.34Å; V24-M75 HydrophobicContact CG2-CG 3.51Å
25I90.4Very high91.6Very high13 Ų1336.5 Ų36.57%0.06720%0.198CC..EExtended strand (participates in β ladder)trans-65.4109.8172.9-56168.7000109.4I5 I8 K11 G19 I20 L93I5-I25 HydrophobicContact CG2-CG2 4.13Å; I8-I25 HydrophobicContact CB-CD1 4.25Å; I8-I25 HydrophobicContact CB-CG2 4.28Å; I8-I25 HydrophobicContact CD1-CD1 3.8Å; I8-I25 HydrophobicContact CG2-CD1 3.8Å; I8-I25 HydrophobicContact CG2-CG2 4.05Å; K11-I25 HydrophobicContact CG-CB 4.37Å; K11-I25 PolarHBondContact N-O 2.81Å; G19-I25 WeakPolarHBondContact O-CA 3.48Å; I20-I25 HydrophobicContact CD1-CG1 4.41Å; I20-I25 HydrophobicContact CG1-CG1 3.73Å; I25-L93 HydrophobicContact CD1-CD1 3.54Å; I25-L93 HydrophobicContact CG1-CD1 4.21Å
26T93.8Very high91.7Very high0 Ų041.8 Ų41.80%022%0.216CC..EExtended strand (participates in β ladder)trans-141.2163.6-173.757.60000112.9I12 S17 S18 G19 H21 V24 M75I12-T26 HydrophobicContact CD1-CG2 4.28Å; I12-T26 HydrophobicContact CG1-CG2 3.68Å; S17-T26 WeakPolarHBondContact CA-O 3.5Å; S18-T26 PolarHBondContact N-O 3.25Å; G19-T26 PolarHBondContact O-N 3.44Å; H21-T26 PolarHBondContact CD2-OG1 3.34Å; H21-T26 VanDerWaalsContact CD2-OG1 3.31Å; V24-T26 HydrophobicContact CB-CG2 4.08Å; V24-T26 HydrophobicContact CG1-CG2 3.97Å; V24-T26 PolarHBondContact O-N 2.92Å; V24-T26 VanDerWaalsContact O-N 3.13Å; V24-T26 PolarHBondContact O-OG1 3.22Å; T26-M75 HydrophobicContact CG2-CE 4.18Å; T26-M75 HydrophobicContact CG2-SD 3.93Å
27C95.4Very high91.7Very high4 Ų435.5 Ų35.53%0.02719%0.189CC..  trans-87.5158.9170.267.60000110.9C10 D15 K16 G29 C30 K31C10-C27 HydrophobicContact CB-CB 3.97Å; C10-C27 PolarHBondContact SG-N 3.33Å; C10-C27 VanDerWaalsContact SG-SG 3.64Å; D15-C27 HydrophobicContact CB-CB 4.32Å; K16-C27 WeakPolarHBondContact O-CB 3.29Å; C27-G29 PolarHBondContact O-N 3.34Å; C27-G29 VanDerWaalsContact O-N 3.08Å; C27-C30 PolarHBondContact O-N 3.49Å; C27-K31 PolarHBondContact O-N 2.72Å
28E95.1Very high91.5Very high98 Ų9837.6 Ų37.646%0.45820%0.198SC..Hα-helixtrans-51.7-34.6176.1-69.1-57.3120.400112.8S18 H21 C30 K31 G32S18-E28 WeakPolarHBondContact CB-OE1 3.09Å; S18-E28 WeakPolarHBondContact OG-CG 3.44Å; S18-E28 PolarHBondContact OG-N 3.17Å; S18-E28 PolarHBondContact OG-OE1 2.85Å; H21-E28 IonicContact CE1-OE1 2.68Å; H21-E28 PolarHBondContact CE1-OE1 3.12Å; H21-E28 IonicContact NE2-OE1 3.64Å; H21-E28 PolarHBondContact NE2-OE1 3.08Å; E28-C30 PolarHBondContact O-N 3.15Å; E28-K31 WeakPolarHBondContact OE1-CD 3.24Å; E28-K31 IonicContact OE1-NZ 2.99Å; E28-K31 PolarHBondContact OE1-NZ 3.39Å; E28-K31 VanDerWaalsContact OE2-CD 3.22Å; E28-K31 WeakPolarHBondContact OE2-CD 3.44Å; E28-K31 WeakPolarHBondContact OE2-CE 3.35Å; E28-K31 IonicContact OE2-NZ 3.71Å; E28-K31 PolarHBondContact OE2-NZ 2.68Å; E28-G32 PolarHBondContact O-N 2.93Å
29G95.5Very high91.1Very high32 Ų3241.2 Ų41.233%0.3321%0.209SC..Hα-helixtrans-64.6-35.2177.400000114.4C27 F33 R66C27-G29 PolarHBondContact O-N 3.34Å; C27-G29 VanDerWaalsContact O-N 3.08Å; G29-F33 WeakPolarHBondContact O-CB 3.38Å; G29-F33 PolarHBondContact O-N 3.1Å; G29-R66 PolarHBondContact O-NH2 3.24Å; G29-R66 VanDerWaalsContact O-NH2 3.13Å
30C96.6Very high90.8Very high0 Ų046.9 Ų46.90%024%0.237CC..Hα-helixtrans-87.2-36177.7-70.80000112.4I12 C27 E28 F33 F34 R66I12-C30 HydrophobicContact CB-CB 4.2Å; I12-C30 HydrophobicContact CG1-CB 4.13Å; I12-C30 HydrophobicContact CG2-CB 4.45Å; C27-C30 PolarHBondContact O-N 3.49Å; E28-C30 PolarHBondContact O-N 3.15Å; C30-F33 PolarHBondContact O-N 2.86Å; C30-F34 WeakPolarHBondContact O-CB 3.26Å; C30-F34 PolarHBondContact O-N 3.11Å; C30-R66 PolarHBondContact SG-NH2 2.75Å; C30-R66 VanDerWaalsContact SG-NH2 3.42Å
31K94.9Very high90.3Very high53 Ų5351.1 Ų51.123%0.2326%0.26CS..Hα-helixtrans-53.4-53.7166.8171.2-159.1-168.7-179.50111.8H21 Y22 C27 E28 F33 F34 R35H21-K31 HydrophobicContact CB-CB 4Å; H21-K31 HydrophobicContact CB-CD 4.29Å; H21-K31 HydrophobicContact CB-CG 3.81Å; H21-K31 PolarHBondContact CE1-NZ 3.43Å; H21-K31 WeakPolarHBondContact ND1-CD 3.45Å; H21-K31 WeakPolarHBondContact ND1-CE 3.32Å; Y22-K31 HydrophobicContact CE2-CG 4.09Å; C27-K31 PolarHBondContact O-N 2.72Å; E28-K31 WeakPolarHBondContact OE1-CD 3.24Å; E28-K31 IonicContact OE1-NZ 2.99Å; E28-K31 PolarHBondContact OE1-NZ 3.39Å; E28-K31 VanDerWaalsContact OE2-CD 3.22Å; E28-K31 WeakPolarHBondContact OE2-CD 3.44Å; E28-K31 WeakPolarHBondContact OE2-CE 3.35Å; E28-K31 IonicContact OE2-NZ 3.71Å; E28-K31 PolarHBondContact OE2-NZ 2.68Å; K31-F33 VanDerWaalsContact C-N 3.35Å; K31-F33 PolarHBondContact O-N 2.99Å; K31-F34 PolarHBondContact O-N 3.17Å; K31-R35 WeakPolarHBondContact O-CB 3.32Å; K31-R35 PolarHBondContact O-N 3Å
32G94.8Very high89.8Confident12 Ų1250.9 Ų50.912%0.12426%0.264CS..Hα-helixtrans-67.1-33.8-178.900000113.3E28 R36E28-G32 PolarHBondContact O-N 2.93Å; G32-R36 WeakPolarHBondContact O-CG 3.43Å; G32-R36 PolarHBondContact O-N 3.2Å; G32-R36 PolarHBondContact O-NH1 3.1Å
33F96.3Very high89.5Confident10 Ų1054.4 Ų54.44%0.04430%0.295CS..Hα-helixtrans-62.9-57.5171171.9-98.4000111.1G29 C30 K31 R35 R36 S37 Y44 Q63 R66 L67G29-F33 WeakPolarHBondContact O-CB 3.38Å; G29-F33 PolarHBondContact O-N 3.1Å; C30-F33 PolarHBondContact O-N 2.86Å; K31-F33 VanDerWaalsContact C-N 3.35Å; K31-F33 PolarHBondContact O-N 2.99Å; F33-R35 VanDerWaalsContact C-N 3.29Å; F33-R35 PolarHBondContact O-N 3.39Å; F33-R36 PolarHBondContact O-N 2.88Å; F33-R36 VanDerWaalsContact O-N 3.1Å; F33-S37 PolarHBondContact O-N 3.07Å; F33-S37 PolarHBondContact O-OG 3.17Å; F33-S37 VanDerWaalsContact O-OG 3.09Å; F33-Y44 HydrophobicContact CE2-CE2 4.08Å; F33-Y44 HydrophobicContact CZ-CD2 4.44Å; F33-Y44 AromaticContact CZ-CE2 3.81Å; F33-Y44 HydrophobicContact CZ-CE2 3.81Å; F33-Q63 HydrophobicContact CE2-CB 4.07Å; F33-Q63 HydrophobicContact CE2-CG 4.09Å; F33-Q63 HydrophobicContact CZ-CB 4.19Å; F33-Q63 WeakPolarHBondContact CZ-O 3.47Å; F33-R66 HydrophobicContact CD1-CG 3.9Å; F33-R66 HydrophobicContact CE1-CB 3.92Å; F33-R66 HydrophobicContact CE1-CG 3.68Å; F33-R66 HydrophobicContact CZ-CB 4.07Å; F33-R66 HydrophobicContact CZ-CG 4.21Å; F33-L67 HydrophobicContact CE1-CB 3.91Å; F33-L67 HydrophobicContact CE1-CD1 4.31Å; F33-L67 HydrophobicContact CZ-CB 4.07Å
34F94.9Very high89.9Confident0 Ų054.3 Ų54.30%028%0.28CS..Hα-helixtrans-55.6-44-178.5-175.9-102.5000112Y22 C30 K31 R36 S37 Q38 L67 C70 L71 M75Y22-F34 AromaticContact CD1-CD1 3.99Å; Y22-F34 HydrophobicContact CD1-CD1 3.99Å; Y22-F34 AromaticContact CD1-CE1 3.87Å; Y22-F34 HydrophobicContact CD1-CE1 3.87Å; Y22-F34 AromaticContact CD2-CD1 3.69Å; Y22-F34 HydrophobicContact CD2-CD1 3.69Å; Y22-F34 HydrophobicContact CD2-CE1 4.31Å; Y22-F34 HydrophobicContact CE1-CD1 4.41Å; Y22-F34 HydrophobicContact CE2-CD1 4.13Å; Y22-F34 AromaticContact CG-CD1 3.62Å; Y22-F34 HydrophobicContact CG-CD1 3.62Å; Y22-F34 AromaticContact CG-CE1 3.76Å; Y22-F34 HydrophobicContact CG-CE1 3.76Å; C30-F34 WeakPolarHBondContact O-CB 3.26Å; C30-F34 PolarHBondContact O-N 3.11Å; K31-F34 PolarHBondContact O-N 3.17Å; F34-R36 PolarHBondContact O-N 3.37Å; F34-S37 PolarHBondContact O-N 3.4Å; F34-Q38 HydrophobicContact CD1-CG 4.15Å; F34-Q38 HydrophobicContact CD2-CG 4.19Å; F34-Q38 HydrophobicContact CE1-CG 3.8Å; F34-Q38 HydrophobicContact CE2-CG 3.83Å; F34-Q38 HydrophobicContact CG-CG 4.34Å; F34-Q38 HydrophobicContact CZ-CG 3.62Å; F34-Q38 WeakPolarHBondContact O-CB 3.48Å; F34-Q38 VanDerWaalsContact O-CG 3.29Å; F34-Q38 WeakPolarHBondContact O-CG 3.28Å; F34-Q38 PolarHBondContact O-N 3.2Å; F34-L67 HydrophobicContact CD2-CD1 3.95Å; F34-L67 HydrophobicContact CE2-CD1 4.28Å; F34-C70 HydrophobicContact CD2-CB 3.66Å; F34-C70 HydrophobicContact CE2-CB 4.16Å; F34-L71 HydrophobicContact CE2-CD2 3.82Å; F34-L71 HydrophobicContact CE2-CG 4.33Å; F34-L71 HydrophobicContact CZ-CD2 4.26Å; F34-M75 HydrophobicContact CB-CE 3.76Å; F34-M75 HydrophobicContact CB-SD 4.33Å; F34-M75 HydrophobicContact CD1-CB 4.26Å; F34-M75 HydrophobicContact CD1-CE 3.91Å; F34-M75 HydrophobicContact CD2-CB 4Å; F34-M75 HydrophobicContact CD2-CE 4.47Å; F34-M75 HydrophobicContact CD2-SD 4.37Å; F34-M75 HydrophobicContact CE1-CB 3.98Å; F34-M75 HydrophobicContact CE2-CB 3.71Å; F34-M75 HydrophobicContact CG-CB 4.27Å; F34-M75 HydrophobicContact CG-CE 3.79Å; F34-M75 HydrophobicContact CG-SD 4.25Å; F34-M75 HydrophobicContact CZ-CB 3.7Å; F34-M75 WeakPolarHBondContact CZ-O 3.42Å
35R93.4Very high89.9Confident123 Ų12359 Ų5946%0.46431%0.313SS..Hα-helixtrans-54.8-49.8176-171.7177.773.2-172.21.8112.5Y22 K31 F33 Q38 Q39Y22-R35 HydrophobicContact CE2-CB 4.36Å; Y22-R35 WeakPolarHBondContact OH-CB 3.48Å; Y22-R35 WeakPolarHBondContact OH-CD 3.37Å; Y22-R35 VanDerWaalsContact OH-CG 3.29Å; Y22-R35 WeakPolarHBondContact OH-CG 3.32Å; K31-R35 WeakPolarHBondContact O-CB 3.32Å; K31-R35 PolarHBondContact O-N 3Å; F33-R35 VanDerWaalsContact C-N 3.29Å; F33-R35 PolarHBondContact O-N 3.39Å; R35-Q38 PolarHBondContact O-N 3.11Å; R35-Q39 HydrophobicContact CG-CG 4.48Å; R35-Q39 WeakPolarHBondContact O-CB 3.46Å; R35-Q39 VanDerWaalsContact O-CG 3.27Å; R35-Q39 WeakPolarHBondContact O-CG 3.47Å; R35-Q39 PolarHBondContact O-N 2.66Å
36R93.8Very high89.9Confident139 Ų13959.5 Ų59.553%0.52532%0.317SS..Hα-helixtrans-66.5-42.9-179.6-72.1-173.5-61.5-96.11112.2G32 F33 F34 Q38 Q39 N40G32-R36 WeakPolarHBondContact O-CG 3.43Å; G32-R36 PolarHBondContact O-N 3.2Å; G32-R36 PolarHBondContact O-NH1 3.1Å; F33-R36 PolarHBondContact O-N 2.88Å; F33-R36 VanDerWaalsContact O-N 3.1Å; F34-R36 PolarHBondContact O-N 3.37Å; R36-Q38 VanDerWaalsContact C-N 3.28Å; R36-Q38 PolarHBondContact O-N 2.89Å; R36-Q39 PolarHBondContact O-N 3.35Å; R36-N40 PolarHBondContact O-N 3.33Å; R36-N40 VanDerWaalsContact O-N 3.15Å
37S92.2Very high89.5Confident1 Ų164.3 Ų64.31%0.00735%0.349CS..Hα-helixtrans-62.6-37.3179.2-52.30000112.2F33 F34 N41 A42 Y44F33-S37 PolarHBondContact O-N 3.07Å; F33-S37 PolarHBondContact O-OG 3.17Å; F33-S37 VanDerWaalsContact O-OG 3.09Å; F34-S37 PolarHBondContact O-N 3.4Å; S37-N41 PolarHBondContact O-N 2.91Å; S37-A42 PolarHBondContact O-N 3.06Å; S37-Y44 VanDerWaalsContact OG-CE2 3.3Å; S37-Y44 WeakPolarHBondContact OG-CE2 3.07Å; S37-Y44 PolarHBondContact OG-OH 3.15Å
38Q86.3Confident89.1Confident48 Ų4871.5 Ų71.522%0.22438%0.375CS..Hα-helixtrans-81-27.6178.7-71.7-71.2-54.100114.2F34 R35 R36 R77F34-Q38 HydrophobicContact CD1-CG 4.15Å; F34-Q38 HydrophobicContact CD2-CG 4.19Å; F34-Q38 HydrophobicContact CE1-CG 3.8Å; F34-Q38 HydrophobicContact CE2-CG 3.83Å; F34-Q38 HydrophobicContact CG-CG 4.34Å; F34-Q38 HydrophobicContact CZ-CG 3.62Å; F34-Q38 WeakPolarHBondContact O-CB 3.48Å; F34-Q38 VanDerWaalsContact O-CG 3.29Å; F34-Q38 WeakPolarHBondContact O-CG 3.28Å; F34-Q38 PolarHBondContact O-N 3.2Å; R35-Q38 PolarHBondContact O-N 3.11Å; R36-Q38 VanDerWaalsContact C-N 3.28Å; R36-Q38 PolarHBondContact O-N 2.89Å; Q38-R77 HydrophobicContact CB-CG 4.27Å; Q38-R77 HydrophobicContact CG-CG 4.47Å
39Q81.5Confident88.7Confident126 Ų12676 Ų7659%0.58940%0.396SS*.Hα-helixtrans-74.1-39.6175.5-79.2177.4-49.700112.3R35 R36R35-Q39 HydrophobicContact CG-CG 4.48Å; R35-Q39 WeakPolarHBondContact O-CB 3.46Å; R35-Q39 VanDerWaalsContact O-CG 3.27Å; R35-Q39 WeakPolarHBondContact O-CG 3.47Å; R35-Q39 PolarHBondContact O-N 2.66Å; R36-Q39 PolarHBondContact O-N 3.35Å
40N78.7Confident88.3Confident130 Ų13083.2 Ų83.270%0.69541%0.414SS*.THydrogen-bonded Turntrans-96.710.1-176.4-63.813000113R36 A42R36-N40 PolarHBondContact O-N 3.33Å; R36-N40 VanDerWaalsContact O-N 3.15Å; N40-A42 PolarHBondContact O-N 3.03Å; N40-A42 VanDerWaalsContact O-N 3.13Å
41N74.1Confident88Confident146 Ų14690.5 Ų90.578%0.78145%0.453SS*.THydrogen-bonded Turntrans4344.4-172-154.340.2000113.3S37 S43S37-N41 PolarHBondContact O-N 2.91Å; N41-S43 PolarHBondContact O-N 2.86Å
42A77.4Confident87.8Confident25 Ų2588.5 Ų88.521%0.20745%0.445CS..  trans-72.8112.6-161.300000112.3S37 N40 Y44S37-A42 PolarHBondContact O-N 3.06Å; N40-A42 PolarHBondContact O-N 3.03Å; N40-A42 VanDerWaalsContact O-N 3.13Å; A42-Y44 HydrophobicContact CB-CE1 3.92Å; A42-Y44 HydrophobicContact CB-CE2 4.17Å; A42-Y44 PolarHBondContact O-N 2.98Å
43S81.6Confident87.6Confident119 Ų11994 Ų9483%0.83247%0.471SS*.  trans-79115.3169.7-170.50000110.2N41N41-S43 PolarHBondContact O-N 2.86Å
44Y91.8Very high87.6Confident48 Ų4893.9 Ų93.919%0.18847%0.471CS..  trans-106.5137.3174.1-55.8-59000110.4F33 S37 A42 Q63 H64 L67F33-Y44 HydrophobicContact CE2-CE2 4.08Å; F33-Y44 HydrophobicContact CZ-CD2 4.44Å; F33-Y44 AromaticContact CZ-CE2 3.81Å; F33-Y44 HydrophobicContact CZ-CE2 3.81Å; S37-Y44 VanDerWaalsContact OG-CE2 3.3Å; S37-Y44 WeakPolarHBondContact OG-CE2 3.07Å; S37-Y44 PolarHBondContact OG-OH 3.15Å; A42-Y44 HydrophobicContact CB-CE1 3.92Å; A42-Y44 HydrophobicContact CB-CE2 4.17Å; A42-Y44 PolarHBondContact O-N 2.98Å; Y44-Q63 HydrophobicContact CD1-CB 3.72Å; Y44-Q63 HydrophobicContact CD1-CG 4.49Å; Y44-Q63 VanDerWaalsContact CD1-OE1 3.23Å; Y44-Q63 HydrophobicContact CD2-CB 3.72Å; Y44-Q63 HydrophobicContact CE1-CB 4.04Å; Y44-Q63 VanDerWaalsContact CE1-OE1 3.27Å; Y44-Q63 HydrophobicContact CE2-CB 4.02Å; Y44-Q63 HydrophobicContact CG-CB 3.56Å; Y44-H64 PolarHBondContact O-ND1 3.48Å; Y44-L67 HydrophobicContact CD2-CB 4.28Å; Y44-L67 HydrophobicContact CD2-CD2 3.95Å; Y44-L67 HydrophobicContact CE2-CB 4.45Å; Y44-L67 HydrophobicContact CE2-CD2 4Å
45S88.9Confident87.4Confident111 Ų11196 Ų9678%0.77648%0.482SS*.  trans-91.4147.7168.8-65.10000111.3
46C91.6Very high87.4Confident24 Ų2498.2 Ų98.216%0.16249%0.49CS..  trans-92128.6171.5-175.30000109.8R48 R50 H64C46-R48 PolarHBondContact O-N 3.27Å; C46-R48 VanDerWaalsContact O-N 3.14Å; C46-R48 PolarHBondContact SG-N 3.47Å; C46-R48 PolarHBondContact SG-O 3Å; C46-R50 HydrophobicContact CB-CG 3.84Å; C46-R50 PolarHBondContact SG-N 2.9Å; C46-H64 HydrophobicContact CB-CB 4.01Å
47P83.7Confident87.3Confident102 Ų10297.2 Ų97.266%0.66250%0.5SS*.SBendtrans-78.313.3176.234.3-37.2000113.4
48R88.2Confident87.2Confident155 Ų15598.2 Ų98.259%0.58551%0.505SS*.SBendtrans-150.5-174.3-175.2-69.6-164.8-71.6166.5-3.6108.9C46 R50 C52C46-R48 PolarHBondContact O-N 3.27Å; C46-R48 VanDerWaalsContact O-N 3.14Å; C46-R48 PolarHBondContact SG-N 3.47Å; C46-R48 PolarHBondContact SG-O 3Å; R48-R50 PolarHBondContact O-N 2.65Å; R48-C52 PolarHBondContact NE-SG 3.4Å; R48-C52 PolarHBondContact NH2-SG 2.9Å
49Q86.6Confident87.5Confident191 Ų19198.1 Ų98.189%0.89350%0.503SS*.SBendtrans-69.237.7-178.4-60.3168.9-11.500115.6N51Q49-N51 PolarHBondContact O-N 2.94Å
50R87.8Confident88Confident185 Ų18597.9 Ų97.970%0.69851%0.506SS*.SBendtrans53.64177.9-61.4-176.3-178.6-173.90.7117.8C46 R48 C65C46-R50 HydrophobicContact CB-CG 3.84Å; C46-R50 PolarHBondContact SG-N 2.9Å; R48-R50 PolarHBondContact O-N 2.65Å; R50-C65 PolarHBondContact O-SG 3.3Å
51N89.5Confident88.7Confident153 Ų153100.9 Ų100.982%0.81851%0.507SS*.  trans-112.654.3179.4-164.610.3000112.2Q49Q49-N51 PolarHBondContact O-N 2.94Å
52C91.2Very high89.7Confident11 Ų1194.1 Ų94.17%0.07447%0.471CS..  trans-81126.4178.1-63.10000111R48 I54 C62 C65R48-C52 PolarHBondContact NE-SG 3.4Å; R48-C52 PolarHBondContact NH2-SG 2.9Å; C52-I54 PolarHBondContact O-N 3.3Å; C52-C62 HydrophobicContact CB-CB 3.97Å; C52-C65 HydrophobicContact CB-CB 3.72Å; C52-C65 PolarHBondContact N-SG 2.86Å; C52-C65 VanDerWaalsContact SG-SG 3.68Å
53L90.2Very high90.5Very high126 Ų12697.8 Ų97.866%0.6648%0.484SS*.  trans-53.2138.2165.8-167.475.3000110.5N58L53-N58 PolarHBondContact O-OD1 3.12Å
54I95.2Very high91.1Very high8 Ų893.3 Ų93.34%0.04145%0.45CS..  trans-124.5106.9178.5-55.8-62.1000109.1I12 C13 C52 N58 R59 C65 R66 K69I12-I54 HydrophobicContact CG2-CG2 4.21Å; I12-I54 WeakPolarHBondContact O-CG2 3.49Å; C13-I54 HydrophobicContact CB-CG2 4.1Å; C52-I54 PolarHBondContact O-N 3.3Å; I54-N58 WeakPolarHBondContact CA-OD1 3.39Å; I54-R59 HydrophobicContact CG2-CB 4Å; I54-C65 HydrophobicContact CD1-CB 4.15Å; I54-R66 HydrophobicContact CD1-CB 4Å; I54-R66 HydrophobicContact CG2-CG 4.26Å; I54-K69 HydrophobicContact CB-CD 3.9Å; I54-K69 HydrophobicContact CG1-CD 4.18Å; I54-K69 HydrophobicContact CG2-CD 4.42Å; I54-K69 PolarHBondContact O-NZ 3.1Å
55D92.5Very high91.2Very high45 Ų4591.4 Ų91.424%0.24144%0.444CS..  trans-130.9-178.417666.354.5000111.7C13 T57 N58 R59C13-D55 CarbonylContact O-C 3.37Å; C13-D55 VanDerWaalsContact O-C 3.25Å; C13-D55 WeakPolarHBondContact O-CA 3.48Å; D55-T57 PolarHBondContact O-N 3.08Å; D55-T57 WeakPolarHBondContact OD1-CA 3.37Å; D55-T57 WeakPolarHBondContact OD1-CB 3.42Å; D55-T57 PolarHBondContact OD1-N 2.86Å; D55-T57 PolarHBondContact OD1-OG1 3.33Å; D55-N58 VanDerWaalsContact CG-OD1 3.25Å; D55-N58 PolarHBondContact N-OD1 3.36Å; D55-N58 PolarHBondContact OD1-N 3.44Å; D55-N58 PolarHBondContact OD1-OD1 2.97Å; D55-N58 PolarHBondContact OD2-ND2 2.92Å; D55-N58 PolarHBondContact OD2-OD1 2.89Å; D55-R59 WeakPolarHBondContact O-CB 3.47Å; D55-R59 WeakPolarHBondContact O-CG 3.47Å; D55-R59 PolarHBondContact O-N 3.33Å
56R92.8Very high91.6Very high170 Ų17086.6 Ų86.664%0.64241%0.408SS*.THydrogen-bonded Turntrans-58.3-33.3-175.4-174.9176-179.8-155.7-6112.9C13 D15C13-R56 PolarHBondContact O-N 3.41Å; D15-R56 HydrophobicContact CB-CB 4.48Å; D15-R56 HydrophobicContact CB-CG 4.13Å; D15-R56 WeakPolarHBondContact OD1-CD 3.48Å; D15-R56 IonicContact OD1-CZ 3.79Å; D15-R56 IonicContact OD1-NE 3.08Å; D15-R56 PolarHBondContact OD1-NE 2.91Å; D15-R56 VanDerWaalsContact OD1-NE 3.08Å
57T91.5Very high91.7Very high118 Ų11886.3 Ų86.372%0.72441%0.405SS*.THydrogen-bonded Turntrans-88-41.8-175.973.30000112.4D55D55-T57 PolarHBondContact O-N 3.08Å; D55-T57 WeakPolarHBondContact OD1-CA 3.37Å; D55-T57 WeakPolarHBondContact OD1-CB 3.42Å; D55-T57 PolarHBondContact OD1-N 2.86Å; D55-T57 PolarHBondContact OD1-OG1 3.33Å
58N89.6Confident92.2Very high22 Ų2286 Ų8612%0.11840%0.395CS..THydrogen-bonded Turntrans-104-2.3-170.168.320.1000114.6L53 I54 D55 N60 R61L53-N58 PolarHBondContact O-OD1 3.12Å; I54-N58 WeakPolarHBondContact CA-OD1 3.39Å; D55-N58 VanDerWaalsContact CG-OD1 3.25Å; D55-N58 PolarHBondContact N-OD1 3.36Å; D55-N58 PolarHBondContact OD1-N 3.44Å; D55-N58 PolarHBondContact OD1-OD1 2.97Å; D55-N58 PolarHBondContact OD2-ND2 2.92Å; D55-N58 PolarHBondContact OD2-OD1 2.89Å; N58-N60 PolarHBondContact O-N 3.02Å; N58-R61 HydrophobicContact CB-CG 4.19Å; N58-R61 WeakPolarHBondContact O-CB 3.48Å; N58-R61 PolarHBondContact O-N 2.81Å
59R92.6Very high92.6Very high45 Ų4582 Ų8217%0.1738%0.382CS..THydrogen-bonded Turntrans-50.9-17.617860.2-173.6-175.6-171.7-6116.2C13 D15 I54 D55 R66C13-R59 HydrophobicContact CB-CB 4.22Å; C13-R59 PolarHBondContact SG-NH1 2.67Å; D15-R59 IonicContact OD2-CZ 3.28Å; D15-R59 VanDerWaalsContact OD2-CZ 3.28Å; D15-R59 IonicContact OD2-NH1 3.42Å; D15-R59 PolarHBondContact OD2-NH1 3.43Å; D15-R59 IonicContact OD2-NH2 3.01Å; D15-R59 PolarHBondContact OD2-NH2 3.13Å; I54-R59 HydrophobicContact CG2-CB 4Å; D55-R59 WeakPolarHBondContact O-CB 3.47Å; D55-R59 WeakPolarHBondContact O-CG 3.47Å; D55-R59 PolarHBondContact O-N 3.33Å; R59-R66 VanDerWaalsContact O-CD 3.3Å; R59-R66 WeakPolarHBondContact O-CD 3.39Å; R59-R66 PolarHBondContact O-NH1 3.2Å
60N92.9Very high92.9Very high122 Ų12272.9 Ų72.965%0.65234%0.339SS*.THydrogen-bonded Turntrans-94.6-11.9176.6-64.3-17000113.6N58 C62 R66N58-N60 PolarHBondContact O-N 3.02Å; N60-C62 PolarHBondContact O-N 3.22Å; N60-R66 PolarHBondContact OD1-NH1 3.06Å
61R93.8Very high93.1Very high193 Ų19367.5 Ų67.573%0.72832%0.324SS*.SBendtrans-72-23.8-177-63.8-170.3-174.8-179.9-0114.2N58N58-R61 HydrophobicContact CB-CG 4.19Å; N58-R61 WeakPolarHBondContact O-CB 3.48Å; N58-R61 PolarHBondContact O-N 2.81Å
62C94.1Very high93.2Very high4 Ų464.5 Ų64.53%0.02732%0.32CS..  trans-146.8105.3177.1-173.20000111.5C52 N60 C65 R66C52-C62 HydrophobicContact CB-CB 3.97Å; N60-C62 PolarHBondContact O-N 3.22Å; C62-C65 HydrophobicContact CB-CB 4.27Å; C62-C65 PolarHBondContact SG-N 3.02Å; C62-C65 PolarHBondContact SG-SG 2.86Å; C62-R66 WeakPolarHBondContact O-CB 3.31Å; C62-R66 PolarHBondContact O-N 3.44Å
63Q94.3Very high93.2Very high101 Ų10167.7 Ų67.747%0.47234%0.336SS..Hα-helixtrans-69.2-36.2179.3-64.6173.1-30.300111.9F33 Y44 R66 L67F33-Q63 HydrophobicContact CE2-CB 4.07Å; F33-Q63 HydrophobicContact CE2-CG 4.09Å; F33-Q63 HydrophobicContact CZ-CB 4.19Å; F33-Q63 WeakPolarHBondContact CZ-O 3.47Å; Y44-Q63 HydrophobicContact CD1-CB 3.72Å; Y44-Q63 HydrophobicContact CD1-CG 4.49Å; Y44-Q63 VanDerWaalsContact CD1-OE1 3.23Å; Y44-Q63 HydrophobicContact CD2-CB 3.72Å; Y44-Q63 HydrophobicContact CE1-CB 4.04Å; Y44-Q63 VanDerWaalsContact CE1-OE1 3.27Å; Y44-Q63 HydrophobicContact CE2-CB 4.02Å; Y44-Q63 HydrophobicContact CG-CB 3.56Å; Q63-R66 PolarHBondContact O-N 3.43Å; Q63-L67 WeakPolarHBondContact O-CB 3.34Å; Q63-L67 PolarHBondContact O-N 2.81Å
64H94.5Very high93Very high26 Ų2663.8 Ų63.812%0.1233%0.327CS..Hα-helixtrans-56.4-60.3175.6-178.392.3000112Y44 C46 R66 L67 Q68Y44-H64 PolarHBondContact O-ND1 3.48Å; C46-H64 HydrophobicContact CB-CB 4.01Å; H64-R66 VanDerWaalsContact C-N 3.26Å; H64-R66 PolarHBondContact O-N 3.28Å; H64-L67 PolarHBondContact O-N 3.41Å; H64-L67 VanDerWaalsContact O-N 3.12Å; H64-Q68 WeakPolarHBondContact O-CG 3.5Å; H64-Q68 PolarHBondContact O-N 3.19Å
65C94.6Very high92.8Very high8 Ų863.6 Ų63.65%0.05433%0.326CS..Hα-helixtrans-63-32.7-178.5-590000112.3R50 C52 I54 C62 K69R50-C65 PolarHBondContact O-SG 3.3Å; C52-C65 HydrophobicContact CB-CB 3.72Å; C52-C65 PolarHBondContact N-SG 2.86Å; C52-C65 VanDerWaalsContact SG-SG 3.68Å; I54-C65 HydrophobicContact CD1-CB 4.15Å; C62-C65 HydrophobicContact CB-CB 4.27Å; C62-C65 PolarHBondContact SG-N 3.02Å; C62-C65 PolarHBondContact SG-SG 2.86Å; C65-K69 VanDerWaalsContact O-CB 3.31Å; C65-K69 WeakPolarHBondContact O-CB 3.29Å; C65-K69 PolarHBondContact O-N 3.17Å
66R96.4Very high92.5Very high9 Ų963.8 Ų63.83%0.03433%0.33CS..Hα-helixtrans-65.4-45173.5-169.5-171.9-168159-9.3112.1I12 G29 C30 F33 I54 R59 N60 C62 Q63 H64 K69 C70I12-R66 HydrophobicContact CG2-CG 4.41Å; G29-R66 PolarHBondContact O-NH2 3.24Å; G29-R66 VanDerWaalsContact O-NH2 3.13Å; C30-R66 PolarHBondContact SG-NH2 2.75Å; C30-R66 VanDerWaalsContact SG-NH2 3.42Å; F33-R66 HydrophobicContact CD1-CG 3.9Å; F33-R66 HydrophobicContact CE1-CB 3.92Å; F33-R66 HydrophobicContact CE1-CG 3.68Å; F33-R66 HydrophobicContact CZ-CB 4.07Å; F33-R66 HydrophobicContact CZ-CG 4.21Å; I54-R66 HydrophobicContact CD1-CB 4Å; I54-R66 HydrophobicContact CG2-CG 4.26Å; R59-R66 VanDerWaalsContact O-CD 3.3Å; R59-R66 WeakPolarHBondContact O-CD 3.39Å; R59-R66 PolarHBondContact O-NH1 3.2Å; N60-R66 PolarHBondContact OD1-NH1 3.06Å; C62-R66 WeakPolarHBondContact O-CB 3.31Å; C62-R66 PolarHBondContact O-N 3.44Å; Q63-R66 PolarHBondContact O-N 3.43Å; H64-R66 VanDerWaalsContact C-N 3.26Å; H64-R66 PolarHBondContact O-N 3.28Å; R66-K69 PolarHBondContact O-N 2.92Å; R66-C70 PolarHBondContact O-N 3.41Å; R66-C70 PolarHBondContact O-SG 3.41Å
67L94.6Very high92Very high18 Ų1862.7 Ų62.79%0.09433%0.326CS..Hα-helixtrans-67.1-43.5178.7-176.961.5000111.2F33 F34 Y44 Q63 H64 K69 C70 L71F33-L67 HydrophobicContact CE1-CB 3.91Å; F33-L67 HydrophobicContact CE1-CD1 4.31Å; F33-L67 HydrophobicContact CZ-CB 4.07Å; F34-L67 HydrophobicContact CD2-CD1 3.95Å; F34-L67 HydrophobicContact CE2-CD1 4.28Å; Y44-L67 HydrophobicContact CD2-CB 4.28Å; Y44-L67 HydrophobicContact CD2-CD2 3.95Å; Y44-L67 HydrophobicContact CE2-CB 4.45Å; Y44-L67 HydrophobicContact CE2-CD2 4Å; Q63-L67 WeakPolarHBondContact O-CB 3.34Å; Q63-L67 PolarHBondContact O-N 2.81Å; H64-L67 PolarHBondContact O-N 3.41Å; H64-L67 VanDerWaalsContact O-N 3.12Å; L67-K69 VanDerWaalsContact C-N 3.34Å; L67-K69 PolarHBondContact O-N 3.5Å; L67-C70 WeakPolarHBondContact O-CB 3.43Å; L67-C70 PolarHBondContact O-N 3.14Å; L67-C70 VanDerWaalsContact O-N 3.13Å; L67-L71 HydrophobicContact CG-CD1 4.23Å; L67-L71 WeakPolarHBondContact O-CG 3.29Å; L67-L71 PolarHBondContact O-N 2.85Å
68Q93.5Very high91.1Very high97 Ų9761.2 Ų61.245%0.45331%0.314SS..Hα-helixtrans-58.3-44.8173.8-70.5-61.4-23.600111.5H64 C70 L71 A72H64-Q68 WeakPolarHBondContact O-CG 3.5Å; H64-Q68 PolarHBondContact O-N 3.19Å; Q68-C70 VanDerWaalsContact C-N 3.33Å; Q68-C70 PolarHBondContact O-N 3.01Å; Q68-L71 PolarHBondContact O-N 3.2Å; Q68-A72 VanDerWaalsContact O-CB 3.28Å; Q68-A72 WeakPolarHBondContact O-CB 3.45Å; Q68-A72 PolarHBondContact O-N 3.33Å
69K95.5Very high90Very high70 Ų7062 Ų6230%0.30432%0.323SS..Hα-helixtrans-63.5-34175-168.6175.6-177.2-174.40113.2I12 I54 C65 R66 L67 L73I12-K69 HydrophobicContact CG2-CD 4.44Å; I12-K69 WeakPolarHBondContact O-CD 3.45Å; I12-K69 VanDerWaalsContact O-CE 3.22Å; I12-K69 WeakPolarHBondContact O-CE 3.3Å; I12-K69 PolarHBondContact O-NZ 3.47Å; I54-K69 HydrophobicContact CB-CD 3.9Å; I54-K69 HydrophobicContact CG1-CD 4.18Å; I54-K69 HydrophobicContact CG2-CD 4.42Å; I54-K69 PolarHBondContact O-NZ 3.1Å; C65-K69 VanDerWaalsContact O-CB 3.31Å; C65-K69 WeakPolarHBondContact O-CB 3.29Å; C65-K69 PolarHBondContact O-N 3.17Å; R66-K69 PolarHBondContact O-N 2.92Å; L67-K69 VanDerWaalsContact C-N 3.34Å; L67-K69 PolarHBondContact O-N 3.5Å; K69-L73 HydrophobicContact CG-CD1 3.94Å; K69-L73 WeakPolarHBondContact O-CB 3.13Å; K69-L73 WeakPolarHBondContact O-CG 2.96Å; K69-L73 PolarHBondContact O-N 3.34Å
70C94.4Very high88.5Confident0 Ų064.1 Ų64.10%034%0.341CS..Hα-helixtrans-63.5-47.9172.1-68.10000111.9I12 F34 R66 L67 Q68 G74 M75I12-C70 HydrophobicContact CD1-CB 4.49Å; F34-C70 HydrophobicContact CD2-CB 3.66Å; F34-C70 HydrophobicContact CE2-CB 4.16Å; R66-C70 PolarHBondContact O-N 3.41Å; R66-C70 PolarHBondContact O-SG 3.41Å; L67-C70 WeakPolarHBondContact O-CB 3.43Å; L67-C70 PolarHBondContact O-N 3.14Å; L67-C70 VanDerWaalsContact O-N 3.13Å; Q68-C70 VanDerWaalsContact C-N 3.33Å; Q68-C70 PolarHBondContact O-N 3.01Å; C70-G74 PolarHBondContact O-N 2.83Å; C70-M75 HydrophobicContact CB-CB 4.21Å; C70-M75 HydrophobicContact CB-CG 4.18Å; C70-M75 HydrophobicContact CB-SD 3.6Å; C70-M75 VanDerWaalsContact O-CB 3.25Å; C70-M75 WeakPolarHBondContact O-CB 3.28Å; C70-M75 WeakPolarHBondContact O-CG 3.38Å; C70-M75 PolarHBondContact O-N 3.01Å; C70-M75 VanDerWaalsContact SG-SD 3.66Å
71L92.1Very high86.7Confident72 Ų7266.1 Ų66.138%0.37734%0.344SS..Hα-helixtrans-66.7-46.5-179.2-67.5167.9000111.7F34 L67 Q68 L73 G74F34-L71 HydrophobicContact CE2-CD2 3.82Å; F34-L71 HydrophobicContact CE2-CG 4.33Å; F34-L71 HydrophobicContact CZ-CD2 4.26Å; L67-L71 HydrophobicContact CG-CD1 4.23Å; L67-L71 WeakPolarHBondContact O-CG 3.29Å; L67-L71 PolarHBondContact O-N 2.85Å; Q68-L71 PolarHBondContact O-N 3.2Å; L71-L73 VanDerWaalsContact C-N 3.25Å; L71-L73 PolarHBondContact O-N 3.07Å; L71-G74 WeakPolarHBondContact O-CA 3.4Å; L71-G74 PolarHBondContact O-N 3.05Å
72A91.8Very high84.3Confident89 Ų8964.9 Ų64.974%0.73634%0.344SS*.Hα-helixtrans-62.3-29.5179.300000113.4Q68 G74Q68-A72 VanDerWaalsContact O-CB 3.28Å; Q68-A72 WeakPolarHBondContact O-CB 3.45Å; Q68-A72 PolarHBondContact O-N 3.33Å; A72-G74 VanDerWaalsContact C-N 3.29Å
73L89.4Confident82.2Confident78 Ų7868.3 Ų68.341%0.40838%0.38SS..THydrogen-bonded Turntrans-87.37.2173.5-68.3172.6000113.5K11 I12 V24 K69 L71K11-L73 HydrophobicContact CB-CD1 4.31Å; K11-L73 WeakPolarHBondContact O-CD1 3.36Å; I12-L73 HydrophobicContact CD1-CB 4.24Å; I12-L73 HydrophobicContact CD1-CD1 3.68Å; V24-L73 WeakPolarHBondContact CG2-O 3.34Å; K69-L73 HydrophobicContact CG-CD1 3.94Å; K69-L73 WeakPolarHBondContact O-CB 3.13Å; K69-L73 WeakPolarHBondContact O-CG 2.96Å; K69-L73 PolarHBondContact O-N 3.34Å; L71-L73 VanDerWaalsContact C-N 3.25Å; L71-L73 PolarHBondContact O-N 3.07Å
74G86.2Confident80.3Confident45 Ų4574.6 Ų74.646%0.46440%0.399SS..THydrogen-bonded Turntrans89.419.217200000116C70 L71 A72 S76C70-G74 PolarHBondContact O-N 2.83Å; L71-G74 WeakPolarHBondContact O-CA 3.4Å; L71-G74 PolarHBondContact O-N 3.05Å; A72-G74 VanDerWaalsContact C-N 3.29Å; G74-S76 PolarHBondContact O-N 2.68Å
75M91.2Very high78.6Confident4 Ų476.7 Ų76.72%0.0241%0.41CS..  trans-68.7121.2172-65.5-171.475.100110.4I12 Y22 V24 T26 F34 C70I12-M75 HydrophobicContact CD1-SD 4.07Å; I12-M75 HydrophobicContact CG1-SD 4.18Å; Y22-M75 HydrophobicContact CD2-CE 3.76Å; Y22-M75 HydrophobicContact CG-CE 4.22Å; Y22-M75 CarbonylContact O-C 3.57Å; Y22-M75 VanDerWaalsContact O-CA 3.31Å; Y22-M75 WeakPolarHBondContact O-CA 3.25Å; V24-M75 HydrophobicContact CB-CG 3.78Å; V24-M75 HydrophobicContact CG2-CB 4.34Å; V24-M75 HydrophobicContact CG2-CG 3.51Å; T26-M75 HydrophobicContact CG2-CE 4.18Å; T26-M75 HydrophobicContact CG2-SD 3.93Å; F34-M75 HydrophobicContact CB-CE 3.76Å; F34-M75 HydrophobicContact CB-SD 4.33Å; F34-M75 HydrophobicContact CD1-CB 4.26Å; F34-M75 HydrophobicContact CD1-CE 3.91Å; F34-M75 HydrophobicContact CD2-CB 4Å; F34-M75 HydrophobicContact CD2-CE 4.47Å; F34-M75 HydrophobicContact CD2-SD 4.37Å; F34-M75 HydrophobicContact CE1-CB 3.98Å; F34-M75 HydrophobicContact CE2-CB 3.71Å; F34-M75 HydrophobicContact CG-CB 4.27Å; F34-M75 HydrophobicContact CG-CE 3.79Å; F34-M75 HydrophobicContact CG-SD 4.25Å; F34-M75 HydrophobicContact CZ-CB 3.7Å; F34-M75 WeakPolarHBondContact CZ-O 3.42Å; C70-M75 HydrophobicContact CB-CB 4.21Å; C70-M75 HydrophobicContact CB-CG 4.18Å; C70-M75 HydrophobicContact CB-SD 3.6Å; C70-M75 VanDerWaalsContact O-CB 3.25Å; C70-M75 WeakPolarHBondContact O-CB 3.28Å; C70-M75 WeakPolarHBondContact O-CG 3.38Å; C70-M75 PolarHBondContact O-N 3.01Å; C70-M75 VanDerWaalsContact SG-SD 3.66Å
76S86.7Confident77Confident48 Ų4879 Ų7934%0.33643%0.426SS..  trans-136.8148.1-178.9174.50000112.9Y22 G74 D78Y22-S76 WeakPolarHBondContact CB-O 3.41Å; Y22-S76 WeakPolarHBondContact CD1-O 3.32Å; Y22-S76 PolarHBondContact O-N 3.32Å; G74-S76 PolarHBondContact O-N 2.68Å; S76-D78 VanDerWaalsContact C-N 3.34Å; S76-D78 PolarHBondContact OG-N 3.39Å
77R82.1Confident75.4Confident148 Ų14885.7 Ų85.756%0.55846%0.456SS*.SBendtrans-63.6-39.4172.8-68.7-177.267177.9-4.5111.7Q38 A79 V80Q38-R77 HydrophobicContact CB-CG 4.27Å; Q38-R77 HydrophobicContact CG-CG 4.47Å; R77-A79 VanDerWaalsContact C-N 3.31Å; R77-A79 PolarHBondContact O-N 2.98Å; R77-V80 WeakPolarHBondContact O-CB 3.23Å; R77-V80 WeakPolarHBondContact O-CG2 3.39Å; R77-V80 PolarHBondContact O-N 3.03Å
78D72Confident74.2Confident87 Ų8793.3 Ų93.347%0.46549%0.488SS..G310 helixtrans-76.3-20-175-62.9-70.3000113.1S76 V80 K81S76-D78 VanDerWaalsContact C-N 3.34Å; S76-D78 PolarHBondContact OG-N 3.39Å; D78-V80 PolarHBondContact O-N 3.44Å; D78-K81 WeakPolarHBondContact O-CB 3.46Å; D78-K81 PolarHBondContact O-N 2.98Å; D78-K81 IonicContact OD1-NZ 2.94Å; D78-K81 PolarHBondContact OD1-NZ 3.3Å
79A67.9Low72.7Confident38 Ų3894.4 Ų94.431%0.31449%0.493SS..G310 helixtrans-61.1-14.6170.200000113.4R77R77-A79 VanDerWaalsContact C-N 3.31Å; R77-A79 PolarHBondContact O-N 2.98Å
80V60.6Low71.1Confident90 Ų9095.7 Ų95.755%0.54550%0.496SS..G310 helixtrans-80.3-21.6174.7-171.40000112.2Y22 R77 D78 F82Y22-V80 HydrophobicContact CD1-CG2 3.42Å; Y22-V80 VanDerWaalsContact CD1-CG2 3.42Å; Y22-V80 HydrophobicContact CE1-CG2 3.64Å; Y22-V80 HydrophobicContact CG-CG2 4.3Å; R77-V80 WeakPolarHBondContact O-CB 3.23Å; R77-V80 WeakPolarHBondContact O-CG2 3.39Å; R77-V80 PolarHBondContact O-N 3.03Å; D78-V80 PolarHBondContact O-N 3.44Å; V80-F82 VanDerWaalsContact C-N 3.34Å
81K54.5Low70Confident163 Ų16399.5 Ų99.571%0.70952%0.516SS*.THydrogen-bonded Turntrans-74.1-23.8178.7-67.3172.2178.4159.60112.7D78 G83D78-K81 WeakPolarHBondContact O-CB 3.46Å; D78-K81 PolarHBondContact O-N 2.98Å; D78-K81 IonicContact OD1-NZ 2.94Å; D78-K81 PolarHBondContact OD1-NZ 3.3Å; K81-G83 VanDerWaalsContact C-N 3.31Å; K81-G83 PolarHBondContact O-N 3.13Å
82F43.9Very low69.1Low168 Ų16899.7 Ų99.774%0.73752%0.524SS*.  trans-79.876174.7-79.8-86.4000111.4V80 R84V80-F82 VanDerWaalsContact C-N 3.34Å; F82-R84 PolarHBondContact O-N 3.49Å
83G50.4Low67.8Low75 Ų7596.5 Ų96.577%0.77349%0.494SS*.SBendtrans-61.8-4.2-175.100000116.7K81K81-G83 VanDerWaalsContact C-N 3.31Å; K81-G83 PolarHBondContact O-N 3.13Å
84R54.1Low66.7Low233 Ų23396.8 Ų96.888%0.87949%0.49SS*.SBendtrans-142.9117.1169.8-61.6-177.8-176.6162.42.6108.4F82F82-R84 PolarHBondContact O-N 3.49Å
85M58.6Low66.2Low70 Ų7097.2 Ų97.235%0.34549%0.49SS..  trans-54.5143177.4-64.3-178.7-68.100111I20 Q89 L93I20-M85 HydrophobicContact CD1-CE 4.41Å; I20-M85 HydrophobicContact CD1-SD 3.59Å; I20-M85 VanDerWaalsContact CD1-SD 3.59Å; M85-Q89 HydrophobicContact CB-CB 4.44Å; M85-L93 HydrophobicContact CE-CD2 4.38Å
86S61.6Low65.3Low56 Ų56100.3 Ų100.339%0.39250%0.504SS..  trans-58.3152.4173.866.90000110.8K88 Q89 R90S86-K88 VanDerWaalsContact C-N 3.26Å; S86-K88 PolarHBondContact O-N 2.97Å; S86-Q89 PolarHBondContact O-N 2.7Å; S86-Q89 VanDerWaalsContact O-N 3.14Å; S86-Q89 WeakPolarHBondContact OG-CB 3.25Å; S86-Q89 VanDerWaalsContact OG-CD 3.31Å; S86-Q89 VanDerWaalsContact OG-CG 3.28Å; S86-Q89 WeakPolarHBondContact OG-CG 3.44Å; S86-Q89 PolarHBondContact OG-N 3.48Å; S86-Q89 PolarHBondContact OG-OE1 3.38Å; S86-R90 PolarHBondContact O-N 2.94Å
87K62.3Low64.5Low151 Ų15198.4 Ų98.466%0.65749%0.49SS*.Hα-helixtrans-53-47.5178.3-168.7-176.6174.1-172.40110.6Q89 R90 D91K87-Q89 PolarHBondContact O-N 3.27Å; K87-R90 PolarHBondContact O-N 3.04Å; K87-R90 VanDerWaalsContact O-N 3.15Å; K87-D91 WeakPolarHBondContact CG-OD2 3.32Å; K87-D91 PolarHBondContact O-N 3.29Å
88K68.5Low64.2Low178 Ų17897.6 Ų97.677%0.77449%0.493SS*.Hα-helixtrans-55.2-43.4175.9-170.1172.2-177.8176.40114.2S86 S92S86-K88 VanDerWaalsContact C-N 3.26Å; S86-K88 PolarHBondContact O-N 2.97Å; K88-S92 WeakPolarHBondContact O-CB 3.42Å; K88-S92 PolarHBondContact O-N 3.04Å
89Q62.6Low64.6Low120 Ų120100.1 Ų100.156%0.56150%0.5SS*.Hα-helixtrans-69.5-38.6177.5-76.6166.2-46.700112.6M85 S86 K87 L93M85-Q89 HydrophobicContact CB-CB 4.44Å; S86-Q89 PolarHBondContact O-N 2.7Å; S86-Q89 VanDerWaalsContact O-N 3.14Å; S86-Q89 WeakPolarHBondContact OG-CB 3.25Å; S86-Q89 VanDerWaalsContact OG-CD 3.31Å; S86-Q89 VanDerWaalsContact OG-CG 3.28Å; S86-Q89 WeakPolarHBondContact OG-CG 3.44Å; S86-Q89 PolarHBondContact OG-N 3.48Å; S86-Q89 PolarHBondContact OG-OE1 3.38Å; K87-Q89 PolarHBondContact O-N 3.27Å; Q89-L93 WeakPolarHBondContact O-CB 3.3Å; Q89-L93 PolarHBondContact O-N 3.49Å
90R62.9Low64.8Low97 Ų97100.3 Ų100.337%0.36649%0.494SS..Hα-helixtrans-66.3-43.7175.9167.1168.836.8153.6-4.8111.5S86 K87 L93 Y94S86-R90 PolarHBondContact O-N 2.94Å; K87-R90 PolarHBondContact O-N 3.04Å; K87-R90 VanDerWaalsContact O-N 3.15Å; R90-L93 WeakPolarHBondContact O-CB 3.25Å; R90-L93 PolarHBondContact O-N 3.46Å; R90-Y94 HydrophobicContact CG-CD2 3.89Å; R90-Y94 HydrophobicContact CG-CE2 3.8Å; R90-Y94 VanDerWaalsContact O-CD2 3.24Å; R90-Y94 WeakPolarHBondContact O-CD2 3.29Å; R90-Y94 PolarHBondContact O-N 3.26Å
91D70.1Confident65.4Low80 Ų8099.8 Ų99.843%0.42849%0.486SS..Hα-helixtrans-68-39.3-179.5-59.8-12.6000110.8K87 L93 Y94 A95K87-D91 WeakPolarHBondContact CG-OD2 3.32Å; K87-D91 PolarHBondContact O-N 3.29Å; D91-L93 PolarHBondContact O-N 3.1Å; D91-Y94 PolarHBondContact O-N 2.91Å; D91-A95 PolarHBondContact O-N 3.43Å
92S73.1Confident66.5Low76 Ų7694 Ų9453%0.53147%0.468SS..Hα-helixtrans-60.9-41.9171.5-173.80000112.8K88 Y94 A95 E96K88-S92 WeakPolarHBondContact O-CB 3.42Å; K88-S92 PolarHBondContact O-N 3.04Å; S92-Y94 PolarHBondContact O-N 3.16Å; S92-A95 PolarHBondContact O-N 2.92Å; S92-E96 PolarHBondContact O-N 2.84Å
93L64.9Low68.3Low21 Ų2191.5 Ų91.511%0.1145%0.454CS..Hα-helixtrans-61.6-42.9174.4-179.169.8000111.7I5 I8 I20 I25 M85 Q89 R90 D91 E96 V97I5-L93 HydrophobicContact CD1-CD2 4.19Å; I5-L93 HydrophobicContact CG1-CD2 4.36Å; I8-L93 HydrophobicContact CD1-CD1 4.27Å; I20-L93 HydrophobicContact CD1-CD1 4.19Å; I20-L93 HydrophobicContact CD1-CD2 3.72Å; I25-L93 HydrophobicContact CD1-CD1 3.54Å; I25-L93 HydrophobicContact CG1-CD1 4.21Å; M85-L93 HydrophobicContact CE-CD2 4.38Å; Q89-L93 WeakPolarHBondContact O-CB 3.3Å; Q89-L93 PolarHBondContact O-N 3.49Å; R90-L93 WeakPolarHBondContact O-CB 3.25Å; R90-L93 PolarHBondContact O-N 3.46Å; D91-L93 PolarHBondContact O-N 3.1Å; L93-E96 PolarHBondContact O-N 3.32Å; L93-V97 WeakPolarHBondContact O-CG2 3.39Å; L93-V97 PolarHBondContact O-N 3.26Å
94Y65.8Low69.3Low84 Ų8490.6 Ų90.633%0.32943%0.431SS..Hα-helixtrans-62.9-43.2176.8-87.7-68.6000112.3R90 D91 S92 E96 V97 Q98R90-Y94 HydrophobicContact CG-CD2 3.89Å; R90-Y94 HydrophobicContact CG-CE2 3.8Å; R90-Y94 VanDerWaalsContact O-CD2 3.24Å; R90-Y94 WeakPolarHBondContact O-CD2 3.29Å; R90-Y94 PolarHBondContact O-N 3.26Å; D91-Y94 PolarHBondContact O-N 2.91Å; S92-Y94 PolarHBondContact O-N 3.16Å; Y94-E96 VanDerWaalsContact C-N 3.35Å; Y94-E96 PolarHBondContact O-N 3.25Å; Y94-V97 PolarHBondContact O-N 3.48Å; Y94-Q98 WeakPolarHBondContact O-CG 3.34Å; Y94-Q98 PolarHBondContact O-N 3.46Å
95A76.7Confident70.2Confident55 Ų5585.3 Ų85.346%0.45542%0.416SS..Hα-helixtrans-61.2-41.1175.200000112.2D91 S92 Q98 K99D91-A95 PolarHBondContact O-N 3.43Å; S92-A95 PolarHBondContact O-N 2.92Å; A95-Q98 PolarHBondContact O-N 3.21Å; A95-K99 WeakPolarHBondContact O-CB 3.45Å; A95-K99 PolarHBondContact O-N 3.31Å
96E72.3Confident70.8Confident69 Ų6987 Ų8732%0.32242%0.423SS..Hα-helixtrans-72.3-34.4178.4-161.1172.4166.800112.7K11 S92 L93 Y94 K99 H100K11-E96 IonicContact NZ-OE1 2.63Å; K11-E96 PolarHBondContact NZ-OE1 2.99Å; K11-E96 IonicContact NZ-OE2 3.77Å; S92-E96 PolarHBondContact O-N 2.84Å; L93-E96 PolarHBondContact O-N 3.32Å; Y94-E96 VanDerWaalsContact C-N 3.35Å; Y94-E96 PolarHBondContact O-N 3.25Å; E96-K99 PolarHBondContact O-N 3.43Å; E96-H100 WeakPolarHBondContact O-CB 3.37Å; E96-H100 PolarHBondContact O-N 2.85Å
97V69.8Low71.2Confident8 Ų889.9 Ų89.95%0.04843%0.43CS..Hα-helixtrans-60.7-49170.4170.40000110.5I8 L93 Y94 K99 H100 Q101I8-V97 HydrophobicContact CD1-CB 4.47Å; I8-V97 HydrophobicContact CD1-CG2 3.54Å; I8-V97 HydrophobicContact CG1-CG2 4.19Å; L93-V97 WeakPolarHBondContact O-CG2 3.39Å; L93-V97 PolarHBondContact O-N 3.26Å; Y94-V97 PolarHBondContact O-N 3.48Å; V97-K99 PolarHBondContact O-N 3.37Å; V97-H100 PolarHBondContact O-N 3.21Å; V97-H100 VanDerWaalsContact O-N 3.14Å; V97-Q101 HydrophobicContact CG1-CG 4.34Å; V97-Q101 WeakPolarHBondContact O-CG 3.35Å; V97-Q101 PolarHBondContact O-N 2.84Å
98Q75.7Confident71.2Confident130 Ų13089.8 Ų89.861%0.60743%0.426SS*.Hα-helixtrans-60-46178.1-74.3177.5-12.700111.7Y94 A95 H100 Q101 A102Y94-Q98 WeakPolarHBondContact O-CG 3.34Å; Y94-Q98 PolarHBondContact O-N 3.46Å; A95-Q98 PolarHBondContact O-N 3.21Å; Q98-H100 PolarHBondContact O-N 3.28Å; Q98-Q101 PolarHBondContact O-N 3.27Å; Q98-A102 WeakPolarHBondContact O-CB 3.34Å; Q98-A102 PolarHBondContact O-N 2.95Å
99K79.6Confident70.8Confident140 Ų14087.8 Ų87.861%0.60942%0.419SS*.Hα-helixtrans-64.3-24176.8-169173.3-175.5173.10113.5A95 E96 V97 R103A95-K99 WeakPolarHBondContact O-CB 3.45Å; A95-K99 PolarHBondContact O-N 3.31Å; E96-K99 PolarHBondContact O-N 3.43Å; V97-K99 PolarHBondContact O-N 3.37Å; K99-R103 PolarHBondContact O-NE 2.11Å
100H73.3Confident70.6Confident43 Ų4388.3 Ų88.320%0.19942%0.422CS..Hα-helixtrans-86.2-32.9174-154.7-47.3000112.3E96 V97 Q98 L104E96-H100 WeakPolarHBondContact O-CB 3.37Å; E96-H100 PolarHBondContact O-N 2.85Å; V97-H100 PolarHBondContact O-N 3.21Å; V97-H100 VanDerWaalsContact O-N 3.14Å; Q98-H100 PolarHBondContact O-N 3.28Å; H100-L104 WeakPolarHBondContact ND1-CD1 3.38Å; H100-L104 WeakPolarHBondContact O-CB 3.32Å; H100-L104 VanDerWaalsContact O-CG 3.28Å; H100-L104 WeakPolarHBondContact O-CG 3.5Å; H100-L104 PolarHBondContact O-N 2.94Å; H100-L104 VanDerWaalsContact O-N 3.09Å
101Q73.6Confident70.1Confident79 Ų7990 Ų9037%0.36943%0.434SS..Hα-helixtrans-68.3-43173.6-74.7177.9-24.500111.8V7 V97 Q98 L104 Q105V7-Q101 HydrophobicContact CG1-CG 4.08Å; V97-Q101 HydrophobicContact CG1-CG 4.34Å; V97-Q101 WeakPolarHBondContact O-CG 3.35Å; V97-Q101 PolarHBondContact O-N 2.84Å; Q98-Q101 PolarHBondContact O-N 3.27Å; Q101-L104 CarbonylContact O-C 3.56Å; Q101-L104 PolarHBondContact O-N 3.19Å; Q101-L104 VanDerWaalsContact O-N 3.16Å; Q101-Q105 PolarHBondContact O-N 3.05Å
102A77.9Confident69.3Low41 Ų4190 Ų9034%0.33944%0.437SS..Hα-helixtrans-56.9-51174.200000111.5Q98 L104 Q105 E106Q98-A102 WeakPolarHBondContact O-CB 3.34Å; Q98-A102 PolarHBondContact O-N 2.95Å; A102-L104 VanDerWaalsContact C-N 3.28Å; A102-L104 PolarHBondContact O-N 3.04Å; A102-Q105 CarbonylContact O-C 3.59Å; A102-Q105 WeakPolarHBondContact O-CA 3.45Å; A102-Q105 WeakPolarHBondContact O-CB 3.43Å; A102-Q105 PolarHBondContact O-N 3.05Å; A102-E106 WeakPolarHBondContact O-CG 3.41Å; A102-E106 PolarHBondContact O-N 3.49Å
103R80.3Confident68.4Low116 Ų11688 Ų8844%0.43843%0.429SS..Hα-helixtrans-60.8-32.8175.5-78.3-178.4-72173.10.2114K99 Q105 E106 Q107K99-R103 PolarHBondContact O-NE 2.11Å; R103-Q105 VanDerWaalsContact C-N 3.3Å; R103-E106 WeakPolarHBondContact CA-OE2 3.35Å; R103-E106 WeakPolarHBondContact CG-OE2 3.42Å; R103-Q107 WeakPolarHBondContact O-CB 3.42Å; R103-Q107 VanDerWaalsContact O-CG 3.31Å; R103-Q107 WeakPolarHBondContact O-CG 3.22Å; R103-Q107 PolarHBondContact O-N 2.93Å
104L71.4Confident67.7Low55 Ų5593.5 Ų93.529%0.28845%0.454SS..Hα-helixtrans-78.8-9.1173.3-74170.7000113.8V7 H100 Q101 A102 R108V7-L104 HydrophobicContact CG1-CD1 3.83Å; H100-L104 WeakPolarHBondContact ND1-CD1 3.38Å; H100-L104 WeakPolarHBondContact O-CB 3.32Å; H100-L104 VanDerWaalsContact O-CG 3.28Å; H100-L104 WeakPolarHBondContact O-CG 3.5Å; H100-L104 PolarHBondContact O-N 2.94Å; H100-L104 VanDerWaalsContact O-N 3.09Å; Q101-L104 CarbonylContact O-C 3.56Å; Q101-L104 PolarHBondContact O-N 3.19Å; Q101-L104 VanDerWaalsContact O-N 3.16Å; A102-L104 VanDerWaalsContact C-N 3.28Å; A102-L104 PolarHBondContact O-N 3.04Å; L104-R108 PolarHBondContact O-NE 2.88Å; L104-R108 PolarHBondContact O-NH2 3.23Å
105Q72.9Confident66.9Low122 Ų12292.3 Ų92.357%0.5746%0.461SS*.Hα-helixtrans-91.6-44.2167.5-76.9177.8-43.500110.2Q101 A102 R103 Q107 R108 Q109Q101-Q105 PolarHBondContact O-N 3.05Å; A102-Q105 CarbonylContact O-C 3.59Å; A102-Q105 WeakPolarHBondContact O-CA 3.45Å; A102-Q105 WeakPolarHBondContact O-CB 3.43Å; A102-Q105 PolarHBondContact O-N 3.05Å; R103-Q105 VanDerWaalsContact C-N 3.3Å; Q105-Q107 PolarHBondContact O-N 2.92Å; Q105-R108 CarbonylContact O-C 3.49Å; Q105-R108 WeakPolarHBondContact O-CA 3.29Å; Q105-R108 WeakPolarHBondContact O-CB 3.3Å; Q105-R108 PolarHBondContact O-N 3.28Å; Q105-Q109 WeakPolarHBondContact O-CB 3.4Å; Q105-Q109 WeakPolarHBondContact O-CG 3.43Å; Q105-Q109 PolarHBondContact O-N 3.45Å
106E71.6Confident65.8Low107 Ų10795.2 Ų95.250%0.547%0.465SS..Hα-helixtrans-56-48.9172.6-68.8165.6169.900111.5A102 R103 R108 Q109 Q110A102-E106 WeakPolarHBondContact O-CG 3.41Å; A102-E106 PolarHBondContact O-N 3.49Å; R103-E106 WeakPolarHBondContact CA-OE2 3.35Å; R103-E106 WeakPolarHBondContact CG-OE2 3.42Å; E106-R108 VanDerWaalsContact C-N 3.27Å; E106-R108 PolarHBondContact O-N 3.43Å; E106-Q109 PolarHBondContact O-N 2.93Å; E106-Q110 PolarHBondContact O-N 3.02Å
107Q69.2Low65.1Low115 Ų11594.2 Ų94.254%0.53747%0.469SS..Hα-helixtrans-63.8-31175.4-75.4-179.2-16.400113R103 Q105 Q111R103-Q107 WeakPolarHBondContact O-CB 3.42Å; R103-Q107 VanDerWaalsContact O-CG 3.31Å; R103-Q107 WeakPolarHBondContact O-CG 3.22Å; R103-Q107 PolarHBondContact O-N 2.93Å; Q105-Q107 PolarHBondContact O-N 2.92Å; Q107-Q111 WeakPolarHBondContact O-CG 3.41Å; Q107-Q111 PolarHBondContact O-N 3.07Å
108R63.9Low64.3Low149 Ų14999.3 Ų99.356%0.56250%0.495SS*.Hα-helixtrans-74.1-38.4174.3-112.8176.7-65.5-144.8-1112L104 Q105 E106 Q110 Q111 T112L104-R108 PolarHBondContact O-NE 2.88Å; L104-R108 PolarHBondContact O-NH2 3.23Å; Q105-R108 CarbonylContact O-C 3.49Å; Q105-R108 WeakPolarHBondContact O-CA 3.29Å; Q105-R108 WeakPolarHBondContact O-CB 3.3Å; Q105-R108 PolarHBondContact O-N 3.28Å; E106-R108 VanDerWaalsContact C-N 3.27Å; E106-R108 PolarHBondContact O-N 3.43Å; R108-Q110 VanDerWaalsContact C-N 3.33Å; R108-Q111 PolarHBondContact O-N 3.28Å; R108-T112 PolarHBondContact O-N 3.45Å; R108-T112 PolarHBondContact O-OG1 2.75Å; R108-T112 VanDerWaalsContact O-OG1 3.05Å
109Q59.9Low63.2Low136 Ų13695.9 Ų95.964%0.63649%0.489SS*.Hα-helixtrans-66.1-36.7175.3-76.2174.9-18.400111.4Q105 E106 T112 G113Q105-Q109 WeakPolarHBondContact O-CB 3.4Å; Q105-Q109 WeakPolarHBondContact O-CG 3.43Å; Q105-Q109 PolarHBondContact O-N 3.45Å; E106-Q109 PolarHBondContact O-N 2.93Å; Q109-T112 WeakPolarHBondContact CA-OG1 3.24Å; Q109-T112 PolarHBondContact O-OG1 3.11Å; Q109-T112 VanDerWaalsContact O-OG1 3.13Å; Q109-G113 PolarHBondContact O-N 3.4Å
110Q57.5Low62.2Low131 Ų13197.5 Ų97.561%0.61249%0.492SS*.Hα-helixtrans-64.9-46169.7-75.3177.2-22.100111.6E106 R108 T112 G113 E114E106-Q110 PolarHBondContact O-N 3.02Å; R108-Q110 VanDerWaalsContact C-N 3.33Å; Q110-T112 PolarHBondContact O-N 3.5Å; Q110-G113 PolarHBondContact O-N 2.96Å; Q110-E114 WeakPolarHBondContact O-CB 3.3Å; Q110-E114 WeakPolarHBondContact O-CG 3.32Å; Q110-E114 PolarHBondContact O-N 2.78Å
111Q53.8Low61.4Low132 Ų13299.8 Ų99.862%0.61751%0.508SS*.Hα-helixtrans-66.2-35.5176.3-76.7-177.1-13.600113.9Q107 R108 A115Q107-Q111 WeakPolarHBondContact O-CG 3.41Å; Q107-Q111 PolarHBondContact O-N 3.07Å; R108-Q111 PolarHBondContact O-N 3.28Å; Q111-A115 VanDerWaalsContact O-CB 3.25Å; Q111-A115 WeakPolarHBondContact O-CB 3.41Å; Q111-A115 PolarHBondContact O-N 3.49Å
112T51.8Low60.1Low80 Ų80104 Ų10449%0.49152%0.522SS..Hα-helixtrans-71.9-34.2171.650.70000111.9R108 Q109 Q110 A115 E116R108-T112 PolarHBondContact O-N 3.45Å; R108-T112 PolarHBondContact O-OG1 2.75Å; R108-T112 VanDerWaalsContact O-OG1 3.05Å; Q109-T112 WeakPolarHBondContact CA-OG1 3.24Å; Q109-T112 PolarHBondContact O-OG1 3.11Å; Q109-T112 VanDerWaalsContact O-OG1 3.13Å; Q110-T112 PolarHBondContact O-N 3.5Å; T112-A115 PolarHBondContact O-N 3.43Å; T112-E116 WeakPolarHBondContact O-CB 3.49Å; T112-E116 WeakPolarHBondContact O-CG 3.48Å; T112-E116 PolarHBondContact O-N 3.38Å
113G54Low58.7Low35 Ų35105.7 Ų105.736%0.36153%0.531SS..Hα-helixtrans-67.6-39.1174.300000112.7Q109 Q110 A117Q109-G113 PolarHBondContact O-N 3.4Å; Q110-G113 PolarHBondContact O-N 2.96Å; G113-A117 WeakPolarHBondContact O-CB 3.42Å; G113-A117 PolarHBondContact O-N 2.94Å
114E51.6Low57Low137 Ų137104.2 Ų104.264%0.6454%0.539SS*.Hα-helixtrans-67.4-40.7171.2-74.3179.2159.300111.4Q110 A117 L118Q110-E114 WeakPolarHBondContact O-CB 3.3Å; Q110-E114 WeakPolarHBondContact O-CG 3.32Å; Q110-E114 PolarHBondContact O-N 2.78Å; E114-A117 PolarHBondContact O-N 2.95Å; E114-L118 WeakPolarHBondContact O-CB 3.4Å; E114-L118 PolarHBondContact O-N 3.15Å
115A47.7Very low55.8Low59 Ų59105.8 Ų105.849%0.48856%0.555SS.*Hα-helixtrans-67.2-39174.700000113Q111 T112 L118 A119Q111-A115 VanDerWaalsContact O-CB 3.25Å; Q111-A115 WeakPolarHBondContact O-CB 3.41Å; Q111-A115 PolarHBondContact O-N 3.49Å; T112-A115 PolarHBondContact O-N 3.43Å; A115-L118 PolarHBondContact O-N 3.32Å; A115-A119 VanDerWaalsContact O-CB 3.27Å; A115-A119 WeakPolarHBondContact O-CB 3.32Å; A115-A119 PolarHBondContact O-N 2.99Å
116E54.3Low54.4Low115 Ų115106.6 Ų106.654%0.53756%0.562SS.*Hα-helixtrans-68.5-36.8172.5-78.8-172.6161.700111.9T112 A119 R120T112-E116 WeakPolarHBondContact O-CB 3.49Å; T112-E116 WeakPolarHBondContact O-CG 3.48Å; T112-E116 PolarHBondContact O-N 3.38Å; E116-A119 PolarHBondContact O-N 3.26Å; E116-R120 WeakPolarHBondContact O-CG 3.36Å; E116-R120 PolarHBondContact O-N 3.09Å
117A56.5Low52.9Low48 Ų48106.7 Ų106.740%0.39757%0.57SS.*Hα-helixtrans-64.7-44.1172.400000111.1G113 E114 A119 R120 V121G113-A117 WeakPolarHBondContact O-CB 3.42Å; G113-A117 PolarHBondContact O-N 2.94Å; E114-A117 PolarHBondContact O-N 2.95Å; A117-A119 VanDerWaalsContact C-N 3.34Å; A117-A119 PolarHBondContact O-N 3.15Å; A117-R120 PolarHBondContact O-N 3.3Å; A117-V121 WeakPolarHBondContact O-CG2 3.41Å; A117-V121 PolarHBondContact O-N 2.88Å
118L53.3Low51.5Low115 Ų115109.3 Ų109.360%0.60259%0.588SS**Hα-helixtrans-63.4-40.1175-141.984000111.4E114 A115 V121 Y122E114-L118 WeakPolarHBondContact O-CB 3.4Å; E114-L118 PolarHBondContact O-N 3.15Å; A115-L118 PolarHBondContact O-N 3.32Å; L118-V121 PolarHBondContact O-N 2.96Å; L118-Y122 PolarHBondContact O-N 3.32Å
119A54.2Low50.1Low58 Ų58105.5 Ų105.548%0.47960%0.595SS.*Hα-helixtrans-66.1-37.3175.200000112.4A115 E116 A117 S123A115-A119 VanDerWaalsContact O-CB 3.27Å; A115-A119 WeakPolarHBondContact O-CB 3.32Å; A115-A119 PolarHBondContact O-N 2.99Å; E116-A119 PolarHBondContact O-N 3.26Å; A117-A119 VanDerWaalsContact C-N 3.34Å; A117-A119 PolarHBondContact O-N 3.15Å; A119-S123 WeakPolarHBondContact O-CB 3.26Å; A119-S123 PolarHBondContact O-N 3Å
120R57.9Low48.8Very low175 Ų175107.4 Ų107.466%0.6661%0.608SS**Hα-helixtrans-64.3-42.3171.6-74.9-178.5-155153.412.2111.8E116 A117 S123 S124E116-R120 WeakPolarHBondContact O-CG 3.36Å; E116-R120 PolarHBondContact O-N 3.09Å; A117-R120 PolarHBondContact O-N 3.3Å; R120-S123 PolarHBondContact O-N 3.46Å; R120-S124 WeakPolarHBondContact O-CB 3.17Å; R120-S124 PolarHBondContact O-N 3.39Å; R120-S124 PolarHBondContact O-OG 3.35Å; R120-S124 VanDerWaalsContact O-OG 3.09Å
121V56.7Low47.7Very low90 Ų90105.9 Ų105.955%0.54561%0.612SS.*Hα-helixtrans-66.5-38.7177.5172.50000112A117 L118 S124 S125A117-V121 WeakPolarHBondContact O-CG2 3.41Å; A117-V121 PolarHBondContact O-N 2.88Å; L118-V121 PolarHBondContact O-N 2.96Å; V121-S124 WeakPolarHBondContact CA-OG 3.47Å; V121-S124 PolarHBondContact O-OG 2.93Å; V121-S125 PolarHBondContact O-N 3.15Å; V121-S125 PolarHBondContact O-OG 3.46Å
122Y45.8Very low46.7Very low167 Ų167105.3 Ų105.366%0.65562%0.618SS**Hα-helixtrans-69.4-38.6171.6-99.4-89.4000112.4L118 S125L118-Y122 PolarHBondContact O-N 3.32Å; Y122-S125 PolarHBondContact O-N 3.36Å; Y122-S125 VanDerWaalsContact O-N 3.15Å
123S48.2Very low45.6Very low78 Ų78109.1 Ų109.155%0.54564%0.635SS.*Hα-helixtrans-70.1-35.7179-173.80000112.7A119 R120 S125 L126A119-S123 WeakPolarHBondContact O-CB 3.26Å; A119-S123 PolarHBondContact O-N 3Å; R120-S123 PolarHBondContact O-N 3.46Å; S123-S125 PolarHBondContact O-N 2.95Å; S123-L126 PolarHBondContact O-N 3.35Å
124S45.3Very low44.4Very low84 Ų84114.2 Ų114.259%0.58765%0.654SS**THydrogen-bonded Turntrans-70-10.8171.558.90000113.7R120 V121R120-S124 WeakPolarHBondContact O-CB 3.17Å; R120-S124 PolarHBondContact O-N 3.39Å; R120-S124 PolarHBondContact O-OG 3.35Å; R120-S124 VanDerWaalsContact O-OG 3.09Å; V121-S124 WeakPolarHBondContact CA-OG 3.47Å; V121-S124 PolarHBondContact O-OG 2.93Å
125S46Very low43.3Very low89 Ų89115 Ų11562%0.62266%0.657SS**THydrogen-bonded Turntrans-99.9-0.2-178.9-570000113.8V121 Y122 S123V121-S125 PolarHBondContact O-N 3.15Å; V121-S125 PolarHBondContact O-OG 3.46Å; Y122-S125 PolarHBondContact O-N 3.36Å; Y122-S125 VanDerWaalsContact O-N 3.15Å; S123-S125 PolarHBondContact O-N 2.95Å
126L42.6Very low42.4Very low139 Ų139119.4 Ų119.473%0.72867%0.667SS**THydrogen-bonded Turntrans-125.6-2.5-179.9-77172.6000115S123 N128S123-L126 PolarHBondContact O-N 3.35Å; L126-N128 PolarHBondContact O-N 2.89Å
127T40.9Very low41.3Very low109 Ų109121.6 Ų121.667%0.66968%0.681SS**  trans-80.76117055.60000111.8
128N40.6Very low39.8Very low169 Ų169122.8 Ų122.890%0.90470%0.698SS**SBendtrans-160.473.7160-110.6-7.9000109.9L126L126-N128 PolarHBondContact O-N 2.89Å
129G33.2Very low38.5Very low70 Ų70120.2 Ų120.272%0.72270%0.7SS**SBendtrans156.6113.2170.800000115.7
130L32.5Very low37.2Very low175 Ų175122.5 Ų122.592%0.91671%0.708SS**  trans76.3106.3149.9-13766.6000119.2
131S35.4Very low35.9Very low99 Ų99124.4 Ų124.469%0.69272%0.716SS**  trans-59.8171.515647.60000114
132T31.8Very low34.5Very low121 Ų121124.1 Ų124.174%0.74272%0.724SS**  trans107.7136.1157.3-27.30000115.9
133L29.3Very low33.6Very low160 Ų160123.9 Ų123.984%0.83873%0.734SS**  trans71.2150.7173-51.7176.8000116.5
134N27.8Very low32.5Very low141 Ų141122.6 Ų122.675%0.75473%0.733SS**  cis-171.6141.4-35.3-161.233.1000104.8
135H30.3Very low31.5Very low155 Ų155127.5 Ų127.572%0.71875%0.746SS**  trans15147.2144.5-133.8-52.5000122.5
136E27.6Very low30.5Very low150 Ų150128.4 Ų128.470%0.70175%0.748SS**  trans104.8135.3146.5-64.4-162.2147.100121.9
137I31.2Very low29.7Very low161 Ų161128.7 Ų128.783%0.82675%0.748SS**  trans67.6131.7155.4-60147.6000116.9
138G25.3Very low28.8Very low73 Ų73132.6 Ų132.675%0.75376%0.759SS**  cis152.1159-3.700000112.7
139G26.4Very low28.3Very low62 Ų62131.8 Ų131.864%0.63975%0.754SS**  trans94.2107.7169.100000114.9
140T26.9Very low28.1Very low106 Ų106133.8 Ų133.865%0.6575%0.754SS**  65.7142.868.269.40000112.7
141Y29.1Very low27.8Very low214 Ų214135.2 Ų135.284%0.83975%0.753SS**  cis-153155.725.8-34-107.6000111
142A28.6Very low27.3Very low84 Ų84134.6 Ų134.669%0.69476%0.762SS**  trans14.7154.9133.700000120.9
143N26.1Very low27Very low162 Ų162132.1 Ų132.187%0.86676%0.761SS**  cis-160172-0.4-104.8-12.8000105.8
144G25.3Very low26.8Very low51 Ų51133.7 Ų133.753%0.52676%0.763SS.*  cis118.7110.11400000111.3
145H25.1Very low26.7Very low187 Ų187132.9 Ų132.987%0.86676%0.764SS**  trans71.5157.6159.6-60.8-77.6000117.9
146V24.3Very low26.5Very low109 Ų109132.9 Ų132.966%0.66177%0.769SS**  cis-167.7149.7-9124.20000112.4
147I26.1Very low26.4Very low145 Ų145129.4 Ų129.474%0.74477%0.773SS**  trans29.8135.7147.3-50.7166.6000121.7
148E22.1Very low26Very low191 Ų191126.1 Ų126.189%0.89378%0.779SS**  -174.8159.4117.7-102.4-164.9168.100116.9
149L29.8Very low26Very low151 Ų151126.6 Ų126.679%0.79178%0.784SS**  trans-161132.8-178-170.8134.4000112.6
150P29.6Very low26.1Very low113 Ų113130.3 Ų130.373%0.73479%0.794SS**  trans-138.5142.6142.723.3-2.7000112.9
151K26.1Very low26.7Very low205 Ų205131.6 Ų131.689%0.89180%0.804SS**  54.9133.873.6-73.1-173.8175-179.20114.6
152G25.1Very low26.5Very low86 Ų86125.2 Ų125.289%0.88780%0.803SS**  cis-171.8-167.8-0.700000109.3
153G23.9Very low26.4Very low69 Ų69124.5 Ų124.571%0.71180%0.804SS**  cis161147.5-700000113
154H25.1Very low26.3Very low192 Ų192127.1 Ų127.189%0.88980%0.803SS**  trans68.7155.7173.7-74.5-91.9000118.3
155V26.5Very low26.4Very low125 Ų125135.4 Ų135.476%0.75882%0.82SS**  cis-146.3164.822179.10000113
156N26.5Very low26.4Very low155 Ų155130.1 Ų130.183%0.82982%0.816SS**  trans-41.5163.2169.5-52.5-27000120.8
157G25.3Very low26.5Very low77 Ų77133.1 Ų133.179%0.79483%0.825SS**  137.3107.5109.800000122.2
158G23.2Very low26.3Very low91 Ų91132.1 Ų132.194%0.93882%0.821SS**  trans79.2150.2134.200000122.1
159G24Very low26.4Very low83 Ų83127.2 Ų127.286%0.85681%0.808SS**  trans142.796.3159.500000117.9
160V29.6Very low26.2Very low141 Ų141126.9 Ų126.986%0.85581%0.812SS**  trans-119.1138.1169.2166.40000106.8
161P38.7Very low26Very low132 Ų132129.1 Ų129.186%0.85781%0.813SS**  -153.7179.494.835.6-13.1000114.7
162G25.6Very low26.2Very low80 Ų80125.1 Ų125.183%0.82581%0.808SS**  cis164.8167.1-400000111.9
163G25.5Very low26.4Very low69 Ų69125.6 Ų125.671%0.71180%0.798SS**  trans127.5104.7176.600000113.4
164Y24.3Very low27Very low217 Ų217127.5 Ų127.585%0.85180%0.798SS**  56.2127.778.4-70.3-82.3000113.4
165Y28.6Very low27.1Very low225 Ų225124.8 Ų124.888%0.88279%0.79SS**  -142.2170.651.8-45.9-87000115.2
166G24.7Very low27.2Very low76 Ų76127.1 Ų127.178%0.78479%0.793SS**  trans-90.2-163.2162.300000112.2
167M25.5Very low27.3Very low172 Ų172125.8 Ų125.885%0.84780%0.795SS**  cis-165.81595.7178172146.600109.5
168D22.4Very low27.3Very low124 Ų124125.5 Ų125.566%0.66379%0.792SS**  trans83.9135152.1-111.1-30.8000126.9
169S24.4Very low27.4Very low89 Ų89129.5 Ų129.562%0.62279%0.791SS**  trans39.6126.7141-69.70000124
170T25Very low27.5Very low143 Ų143132.9 Ų132.988%0.87779%0.79SS**  171.7143.697.737.10000113.8
171Q27.3Very low27.6Very low161 Ų161134.2 Ų134.275%0.75279%0.789SS**  trans-71.3160.3159.7-88.1-83.4-48.700110
172P28.5Very low27Very low120 Ų120133.8 Ų133.878%0.77979%0.788SS**  -158.4172.863.444.7-23.6000119.6
173S30.1Very low27Very low97 Ų97133.5 Ų133.568%0.67879%0.786SS**  trans-80.2171.9154-55.10000111
174P37.5Very low27.1Very low109 Ų109138.5 Ų138.571%0.70880%0.795SS**  -155.3161.998.239.3-20.9000117.5
175D25.9Very low27.2Very low134 Ų134137.9 Ų137.972%0.71780%0.797SS**  trans48160.8137.1-65.6-29000123.4
176Q28.9Very low27.1Very low175 Ų175136 Ų13682%0.81880%0.796SS**  cis161.7128.1-29.6-114.7-168.488.100106.5
177S27.8Very low27.3Very low127 Ų127140.1 Ų140.189%0.88880%0.798SS**  trans-177.2144.6161.351.50000109.5
178G25Very low27.2Very low70 Ų70141.4 Ų141.472%0.72280%0.799SS**  cis159.9118.3-11.200000111.9
179L26.6Very low27.3Very low175 Ų175144.5 Ų144.592%0.91681%0.81SS**  trans69.9153.8170.8-48.7177.5000115.6
180D25.9Very low27.2Very low155 Ų155148.4 Ų148.483%0.82982%0.818SS**  cis-148.4173.126.2-155.6-1.6000114.2
181M32.2Very low27.2Very low169 Ų169147.1 Ų147.183%0.83381%0.812SS**  trans-118.9137.4-167.1-114.5-85-81.500114.1
182S26.6Very low27.4Very low122 Ų122144.6 Ų144.685%0.85381%0.807SS**  trans-169.1150.8153.251.50000113.6
183G24.8Very low27.2Very low75 Ų75148.8 Ų148.877%0.77381%0.809SS**  trans118.140.5151.400000121.2
184L27.2Very low26.9Very low173 Ų173151.1 Ų151.191%0.90681%0.814SS**  trans-6.4123.5157.6-170.380.7000118.3
185K27.3Very low26.7Very low205 Ų205153.5 Ų153.589%0.89182%0.82SS**  trans-158.3152.2148.9-112.6163.4-164.9177.40114.5
186H24.7Very low27.6Very low186 Ų186152.6 Ų152.686%0.86182%0.819SS**  trans-37.5140.2-171.7-100.8-95.3000119.3K188H186-K188 PolarHBondContact O-N 2.76Å
187I29.3Very low28.1Very low161 Ų161149 Ų14983%0.82681%0.812SS**  trans-63.9125.3160.5-63164000110.1
188K23.8Very low28.6Very low200 Ų200146.2 Ų146.287%0.8779%0.789SS**  trans-138.4146.1151.3-112.7-175.7176.6-175.10108.1H186H186-K188 PolarHBondContact O-N 2.76Å
189Q25Very low29Very low189 Ų189147.1 Ų147.188%0.88378%0.782SS**  trans-74.9130.2-172.6-69.7161.2-36.900111.4
190E21.5Very low29.6Very low171 Ų171145.3 Ų145.380%0.79977%0.773SS**  trans-79.1128.1165.9-73.8-81.5126.300110
191P25.1Very low30.5Very low115 Ų115139.2 Ų139.275%0.74774%0.74SS**  trans-80.5109.3151.130.4-23000108.5Y193P191-Y193 PolarHBondContact O-N 3.25Å
192V32.5Very low31Very low109 Ų109136.9 Ų136.966%0.66173%0.726SS**  trans-47.4132.7164.9179.40000109.5
193Y24.2Very low31.5Very low208 Ų208136 Ų13682%0.81672%0.72SS**  trans157.159.3145.3-63.1-42000110.8P191 L195P191-Y193 PolarHBondContact O-N 3.25Å; Y193-L195 PolarHBondContact O-N 3.31Å; Y193-L195 VanDerWaalsContact O-N 3.11Å
194D22.9Very low32.2Very low146 Ų146139.3 Ų139.378%0.78171%0.71SS**  trans-8484.2174.9-162.69.4000110.9T196D194-T196 PolarHBondContact O-N 3.26Å
195L34.3Very low32.4Very low158 Ų158134 Ų13483%0.82770%0.697SS**  trans-95.465.2177.4-82.7171.8000111.3Y193Y193-L195 PolarHBondContact O-N 3.31Å; Y193-L195 VanDerWaalsContact O-N 3.11Å
196T43.9Very low33.1Very low115 Ų115128 Ų12871%0.70669%0.694SS**  trans-179.9127.9134.2330000109.1D194D194-T196 PolarHBondContact O-N 3.26Å
197P39.9Very low33.6Very low101 Ų101128.6 Ų128.666%0.65669%0.689SS**  -138.9123.612132.4-19.7000111.8P199P197-P199 WeakPolarHBondContact O-CD 3.46Å; P197-P199 WeakPolarHBondContact O-CG 3.27Å
198V37.3Very low33.9Very low68 Ų68129.5 Ų129.541%0.41269%0.69SS.*  trans-73.5103.9152-1790000105.6N200 L201 F202V198-N200 PolarHBondContact O-N 2.62Å; V198-L201 HydrophobicContact CG1-CB 4.05Å; V198-L201 HydrophobicContact CG1-CD1 4.2Å; V198-F202 HydrophobicContact CB-CE2 4.32Å
199P34.1Very low34.5Very low88 Ų88128.3 Ų128.357%0.57169%0.693SS**THydrogen-bonded Turntrans-73.9123.7-166.2-15.432.7000110.1P197 L201P197-P199 WeakPolarHBondContact O-CD 3.46Å; P197-P199 WeakPolarHBondContact O-CG 3.27Å; P199-L201 PolarHBondContact O-N 3.03Å
200N38.4Very low35.1Very low137 Ų137123.1 Ų123.173%0.73368%0.678SS**THydrogen-bonded Turntrans74.77.3168.2-50.7-35.8000119.3V198 F202V198-N200 PolarHBondContact O-N 2.62Å; N200-F202 VanDerWaalsContact C-N 3.26Å; N200-F202 PolarHBondContact O-N 2.92Å
201L44.8Very low36.2Very low27 Ų27123 Ų12314%0.14168%0.677CS.*THydrogen-bonded Turntrans-74.9-12.7178.2-139.5133.8000114.1V198 P199 F400V198-L201 HydrophobicContact CG1-CB 4.05Å; V198-L201 HydrophobicContact CG1-CD1 4.2Å; P199-L201 PolarHBondContact O-N 3.03Å; L201-F400 HydrophobicContact CD2-CE1 4.43Å; L201-F400 HydrophobicContact CG-CE1 4.21Å
202F44.3Very low36.9Very low121 Ų121123.9 Ų123.953%0.53167%0.67SS.*THydrogen-bonded Turntrans-112.48.1-169-58.8-69.3000115.8V198 N200 I420V198-F202 HydrophobicContact CB-CE2 4.32Å; N200-F202 VanDerWaalsContact C-N 3.26Å; N200-F202 PolarHBondContact O-N 2.92Å; F202-I420 HydrophobicContact CE1-CD1 4.08Å; F202-I420 HydrophobicContact CZ-CD1 3.85Å
203S36.6Very low37.5Very low104 Ų104119.6 Ų119.673%0.72765%0.647SS**  trans-101.184.6173.1-68.60000111.5
204Y38Very low38.5Very low144 Ų144112 Ų11257%0.56562%0.623SS**  trans-138.2103.6159.6-129-94.3000111P214Y204-P214 HydrophobicContact CD2-CG 3.84Å; Y204-P214 HydrophobicContact CE2-CB 4.23Å; Y204-P214 HydrophobicContact CE2-CG 3.71Å
205G32.2Very low39.8Very low61 Ų61111.4 Ų111.463%0.62962%0.616SS**  trans-70.9145.1159.300000109.3
206G41.3Very low41Very low80 Ų80111 Ų11183%0.82561%0.614SS**  trans-57.6139.8-170.100000114.1
207Y36.3Very low42.1Very low197 Ų197106.1 Ų106.177%0.77359%0.585SS**  trans-134.8137.8170.8-97.8-83.4000112.1
208Q35.9Very low44.2Very low180 Ų180103.8 Ų103.884%0.84157%0.571SS**  trans-69.4143.2169.8-67.4167.6-49.700110.9S210Q208-S210 PolarHBondContact O-N 3.45Å
209D36Very low46.4Very low175 Ų175104.1 Ų104.194%0.93657%0.568SS**SBendtrans4761.2144.2-113.4-12000118
210S36.6Very low48.9Very low81 Ų81102.3 Ų102.357%0.56657%0.566SS**  trans-135131.1162.962.60000111.9Q208 F212Q208-S210 PolarHBondContact O-N 3.45Å; S210-F212 PolarHBondContact O-N 2.98Å
211Q45.4Very low51.4Low167 Ų16798.3 Ų98.378%0.7854%0.543SS*.SBendtrans-71.813.4-169.2-64.2178.5-1.200115.9
212F39.7Very low53.6Low135 Ų13597.5 Ų97.559%0.59254%0.539SS*.BIsolated β-bridgetrans-131.5123.3-175.6-64.4-83.1000109.8S210S210-F212 PolarHBondContact O-N 2.98Å
213G45.9Very low56Low18 Ų1894.3 Ų94.319%0.18653%0.527CS..  trans-72.2172.1169.300000111.6H215 V217G213-H215 PolarHBondContact O-N 2.9Å; G213-V217 PolarHBondContact N-O 3.4Å
214P43.5Very low58.8Low48 Ų4897.8 Ų97.831%0.31253%0.525SS..G310 helixtrans-55.6140.6172.7-17.330.1000110Y204Y204-P214 HydrophobicContact CD2-CG 3.84Å; Y204-P214 HydrophobicContact CE2-CB 4.23Å; Y204-P214 HydrophobicContact CE2-CG 3.71Å
215H52.1Low61.5Low134 Ų13491.9 Ų91.962%0.6250%0.502SS*.G310 helixtrans70.132178.4-49.4-87000117.9G213 V217 F400G213-H215 PolarHBondContact O-N 2.9Å; H215-V217 PolarHBondContact O-N 3.12Å; H215-V217 VanDerWaalsContact O-N 3.14Å; H215-F400 AromaticContact CD2-CE2 3.98Å; H215-F400 AromaticContact CD2-CZ 3.48Å; H215-F400 VanDerWaalsContact CD2-CZ 3.48Å; H215-F400 WeakPolarHBondContact CD2-CZ 3.31Å
216N58.4Low64.7Low149 Ų14989 Ų8980%0.79747%0.472SS*.G310 helixtrans6313.5172.4-66.5-16.4000115.9
217V66.7Low67.4Low14 Ų1489.5 Ų89.59%0.08545%0.454CS..  trans-82.7124.1173.3-169.30000108.9G213 H215 E221 L222G213-V217 PolarHBondContact N-O 3.4Å; H215-V217 PolarHBondContact O-N 3.12Å; H215-V217 VanDerWaalsContact O-N 3.14Å; V217-E221 HydrophobicContact CG1-CB 3.93Å; V217-E221 HydrophobicContact CG1-CG 4.12Å; V217-L222 HydrophobicContact CB-CD2 4.35Å; V217-L222 HydrophobicContact CG1-CD2 3.61Å; V217-L222 HydrophobicContact CG1-CG 3.87Å
218S84.4Confident70.3Confident52 Ų5282 Ų8236%0.36443%0.427SS..BIsolated β-bridgetrans-73.6147.9176.469.30000111.2G220 E221 L222S218-G220 PolarHBondContact O-N 2.9Å; S218-E221 WeakPolarHBondContact O-CA 3.4Å; S218-E221 WeakPolarHBondContact O-CB 3.45Å; S218-E221 PolarHBondContact O-N 3.29Å; S218-E221 PolarHBondContact OG-N 2.69Å; S218-L222 PolarHBondContact O-N 3.43Å
219M82.7Confident73.3Confident74 Ų7473.5 Ų73.537%0.36539%0.387SS..Hα-helixtrans-54.4-39.4177.5-62.3-61.8-76.100112.2E221 L222 D223 H404M219-E221 VanDerWaalsContact C-N 3.28Å; M219-E221 PolarHBondContact O-N 2.91Å; M219-L222 PolarHBondContact O-N 2.83Å; M219-L222 VanDerWaalsContact O-N 3.15Å; M219-L222 HydrophobicContact SD-CD1 4.33Å; M219-D223 PolarHBondContact O-N 3.09Å; M219-H404 WeakPolarHBondContact CE-CE1 3.5Å; M219-H404 VanDerWaalsContact CE-ND1 3.3Å; M219-H404 WeakPolarHBondContact CE-ND1 3.28Å
220G87.9Confident76.3Confident51 Ų5165.5 Ų65.553%0.52634%0.344SS..Hα-helixtrans-67.2-21.7175.800000114.8S218 R224S218-G220 PolarHBondContact O-N 2.9Å; G220-R224 WeakPolarHBondContact O-CB 3.41Å; G220-R224 PolarHBondContact O-N 3.03Å
221E90.1Very high79.2Confident52 Ų5267.3 Ų67.324%0.24334%0.342CS..Hα-helixtrans-77.1-41.6169.3-172.2179.3168.300111V217 S218 M219 R224 I225 K397V217-E221 HydrophobicContact CG1-CB 3.93Å; V217-E221 HydrophobicContact CG1-CG 4.12Å; S218-E221 WeakPolarHBondContact O-CA 3.4Å; S218-E221 WeakPolarHBondContact O-CB 3.45Å; S218-E221 PolarHBondContact O-N 3.29Å; S218-E221 PolarHBondContact OG-N 2.69Å; M219-E221 VanDerWaalsContact C-N 3.28Å; M219-E221 PolarHBondContact O-N 2.91Å; E221-R224 PolarHBondContact O-N 3.05Å; E221-I225 HydrophobicContact CG-CD1 3.97Å; E221-I225 VanDerWaalsContact O-CG1 3.32Å; E221-I225 WeakPolarHBondContact O-CG1 3.24Å; E221-I225 PolarHBondContact O-N 3.08Å; E221-K397 IonicContact OE1-NZ 2.75Å; E221-K397 PolarHBondContact OE1-NZ 3.01Å
222L91.6Very high81.7Confident11 Ų1159.5 Ų59.56%0.05831%0.306CS..Hα-helixtrans-60.8-47.6175.1-63.1-179.8000111.5V217 S218 M219 R224 I225 A226 F400 H404V217-L222 HydrophobicContact CB-CD2 4.35Å; V217-L222 HydrophobicContact CG1-CD2 3.61Å; V217-L222 HydrophobicContact CG1-CG 3.87Å; S218-L222 PolarHBondContact O-N 3.43Å; M219-L222 PolarHBondContact O-N 2.83Å; M219-L222 VanDerWaalsContact O-N 3.15Å; M219-L222 HydrophobicContact SD-CD1 4.33Å; L222-R224 VanDerWaalsContact C-N 3.3Å; L222-R224 PolarHBondContact O-N 3.27Å; L222-I225 PolarHBondContact O-N 2.94Å; L222-A226 WeakPolarHBondContact O-CB 3.42Å; L222-A226 PolarHBondContact O-N 3.08Å; L222-F400 HydrophobicContact CD1-CB 4.32Å; L222-F400 HydrophobicContact CD2-CB 3.63Å; L222-H404 HydrophobicContact CD1-CB 4.44Å
223D93.9Very high84.5Confident54 Ų5453.1 Ų53.129%0.28928%0.278SS..Hα-helixtrans-57-42.8173.6-84.9-44.2000111.4M219 I225 A226 Q227 H404M219-D223 PolarHBondContact O-N 3.09Å; D223-I225 VanDerWaalsContact C-N 3.35Å; D223-I225 PolarHBondContact O-N 2.82Å; D223-A226 PolarHBondContact O-N 3.44Å; D223-Q227 VanDerWaalsContact O-CB 3.29Å; D223-Q227 WeakPolarHBondContact O-CB 3.36Å; D223-Q227 WeakPolarHBondContact O-CG 3.43Å; D223-Q227 PolarHBondContact O-N 2.81Å; D223-H404 IonicContact OD1-CD2 3.03Å; D223-H404 IonicContact OD1-NE2 2.68Å; D223-H404 PolarHBondContact OD1-NE2 2.68Å; D223-H404 IonicContact OD2-NE2 2.98Å; D223-H404 PolarHBondContact OD2-NE2 3.33Å
224R95.9Very high86.9Confident177 Ų17756.7 Ų56.767%0.66829%0.292SS*.Hα-helixtrans-65.8-37.4179.4-164.9-176.774.5-167.10.7112.3G220 E221 L222 N228G220-R224 WeakPolarHBondContact O-CB 3.41Å; G220-R224 PolarHBondContact O-N 3.03Å; E221-R224 PolarHBondContact O-N 3.05Å; L222-R224 VanDerWaalsContact C-N 3.3Å; L222-R224 PolarHBondContact O-N 3.27Å; R224-N228 WeakPolarHBondContact O-CB 3.45Å; R224-N228 PolarHBondContact O-N 3.35Å; R224-N228 VanDerWaalsContact O-N 3.08Å
225I95.9Very high89.4Confident19 Ų1959.2 Ų59.210%0.09730%0.3CS..Hα-helixtrans-68.8-48.7176.1-69.4166.4000110E221 L222 D223 Q227 N228 I229 K397 A401E221-I225 HydrophobicContact CG-CD1 3.97Å; E221-I225 VanDerWaalsContact O-CG1 3.32Å; E221-I225 WeakPolarHBondContact O-CG1 3.24Å; E221-I225 PolarHBondContact O-N 3.08Å; L222-I225 PolarHBondContact O-N 2.94Å; D223-I225 VanDerWaalsContact C-N 3.35Å; D223-I225 PolarHBondContact O-N 2.82Å; I225-Q227 PolarHBondContact O-N 2.93Å; I225-N228 PolarHBondContact O-N 3.35Å; I225-I229 HydrophobicContact CG2-CD1 3.8Å; I225-I229 WeakPolarHBondContact O-CG1 3.44Å; I225-I229 PolarHBondContact O-N 3.44Å; I225-K397 HydrophobicContact CD1-CB 4.12Å; I225-K397 HydrophobicContact CD1-CD 3.99Å; I225-K397 HydrophobicContact CD1-CG 4.39Å; I225-A401 HydrophobicContact CG2-CB 4.05Å
226A97.6Very high91.6Very high0 Ų052.9 Ų52.90%027%0.271CS..Hα-helixtrans-54.6-54.6174.900000111.1L222 D223 N228 I229 I230 L371 A401 I405L222-A226 WeakPolarHBondContact O-CB 3.42Å; L222-A226 PolarHBondContact O-N 3.08Å; D223-A226 PolarHBondContact O-N 3.44Å; A226-N228 VanDerWaalsContact C-N 3.29Å; A226-N228 PolarHBondContact O-N 3.01Å; A226-I229 PolarHBondContact O-N 3.23Å; A226-I230 HydrophobicContact CB-CD1 4.14Å; A226-I230 WeakPolarHBondContact O-CB 3.41Å; A226-I230 WeakPolarHBondContact O-CD1 3.39Å; A226-I230 WeakPolarHBondContact O-CG1 3.4Å; A226-I230 PolarHBondContact O-N 3.34Å; A226-L371 HydrophobicContact CB-CD1 4.13Å; A226-A401 HydrophobicContact CB-CB 4.31Å; A226-I405 HydrophobicContact CB-CD1 4.03Å; A226-I405 HydrophobicContact CB-CG1 3.83Å
227Q97.9Very high93.2Very high92 Ų9246.9 Ų46.943%0.4324%0.24SC..Hα-helixtrans-61.7-34-179.1-70.7-61-46.500113.1D223 I225 K231D223-Q227 VanDerWaalsContact O-CB 3.29Å; D223-Q227 WeakPolarHBondContact O-CB 3.36Å; D223-Q227 WeakPolarHBondContact O-CG 3.43Å; D223-Q227 PolarHBondContact O-N 2.81Å; I225-Q227 PolarHBondContact O-N 2.93Å; Q227-K231 WeakPolarHBondContact O-CB 3.21Å; Q227-K231 PolarHBondContact O-N 3.19Å
228N98.4Very high94.3Very high40 Ų4049.6 Ų49.621%0.21425%0.252CS..Hα-helixtrans-65-46171164.6-121.4000112R224 I225 A226 S232 R289 S291R224-N228 WeakPolarHBondContact O-CB 3.45Å; R224-N228 PolarHBondContact O-N 3.35Å; R224-N228 VanDerWaalsContact O-N 3.08Å; I225-N228 PolarHBondContact O-N 3.35Å; A226-N228 VanDerWaalsContact C-N 3.29Å; A226-N228 PolarHBondContact O-N 3.01Å; N228-S232 VanDerWaalsContact O-CB 3.24Å; N228-S232 WeakPolarHBondContact O-CB 3.39Å; N228-S232 PolarHBondContact O-N 2.86Å; N228-S232 PolarHBondContact O-OG 2.89Å; N228-R289 PolarHBondContact ND2-O 3.33Å; N228-R289 PolarHBondContact OD1-O 2.85Å; N228-S291 WeakPolarHBondContact OD1-CB 3.29Å; N228-S291 PolarHBondContact OD1-N 2.66Å; N228-S291 PolarHBondContact OD1-OG 3.04Å
229I98.6Very high94.7Very high1 Ų150.1 Ų50.11%0.00525%0.246CC..Hα-helixtrans-68.7-46.5-178.5-67.6167.4000111.1I225 A226 S232 H233 F286 I290 A370 L371 A374 I398I225-I229 HydrophobicContact CG2-CD1 3.8Å; I225-I229 WeakPolarHBondContact O-CG1 3.44Å; I225-I229 PolarHBondContact O-N 3.44Å; A226-I229 PolarHBondContact O-N 3.23Å; I229-S232 WeakPolarHBondContact O-CB 3.4Å; I229-S232 PolarHBondContact O-N 3.27Å; I229-H233 WeakPolarHBondContact O-CB 3.27Å; I229-H233 PolarHBondContact O-N 3.43Å; I229-F286 HydrophobicContact CG2-CE2 4.22Å; I229-F286 HydrophobicContact CG2-CZ 4.06Å; I229-I290 HydrophobicContact CD1-CG2 4.49Å; I229-I290 HydrophobicContact CG1-CG1 4.49Å; I229-I290 HydrophobicContact CG1-CG2 4.3Å; I229-A370 HydrophobicContact CG2-CB 4.23Å; I229-A370 WeakPolarHBondContact CG2-O 3.48Å; I229-L371 HydrophobicContact CB-CD2 4.19Å; I229-L371 HydrophobicContact CD1-CD2 3.78Å; I229-L371 HydrophobicContact CG2-CD2 4.1Å; I229-L371 HydrophobicContact CG2-CG 4.28Å; I229-A374 HydrophobicContact CD1-CB 4.13Å; I229-A374 HydrophobicContact CG2-CB 3.8Å; I229-I398 HydrophobicContact CD1-CG1 3.88Å; I229-I398 HydrophobicContact CD1-CG2 4.29Å
230I98.5Very high95.2Very high7 Ų749.6 Ų49.64%0.03625%0.247CC..Hα-helixtrans-57.7-51.6176.9-63.3162.6000110A226 S232 H233 L234 E367 A370A226-I230 HydrophobicContact CB-CD1 4.14Å; A226-I230 WeakPolarHBondContact O-CB 3.41Å; A226-I230 WeakPolarHBondContact O-CD1 3.39Å; A226-I230 WeakPolarHBondContact O-CG1 3.4Å; A226-I230 PolarHBondContact O-N 3.34Å; I230-S232 VanDerWaalsContact C-N 3.32Å; I230-S232 PolarHBondContact O-N 3.07Å; I230-H233 WeakPolarHBondContact O-CB 3.27Å; I230-H233 PolarHBondContact O-N 2.77Å; I230-L234 HydrophobicContact CG2-CD1 4.14Å; I230-L234 WeakPolarHBondContact O-CG 3.48Å; I230-L234 PolarHBondContact O-N 2.81Å; I230-E367 HydrophobicContact CD1-CB 3.75Å; I230-E367 HydrophobicContact CD1-CG 3.83Å; I230-E367 HydrophobicContact CG1-CB 3.97Å; I230-E367 HydrophobicContact CG1-CG 4.21Å; I230-E367 HydrophobicContact CG2-CG 4.04Å; I230-A370 HydrophobicContact CG1-CB 4.36Å
231K98.2Very high95.3Very high118 Ų11849.5 Ų49.551%0.51324%0.237SC..Hα-helixtrans-59.7-43.4176.2-180176.6174.2177.80112Q227 H233 L234 E235Q227-K231 WeakPolarHBondContact O-CB 3.21Å; Q227-K231 PolarHBondContact O-N 3.19Å; K231-H233 VanDerWaalsContact C-N 3.29Å; K231-H233 PolarHBondContact O-N 3.01Å; K231-L234 PolarHBondContact O-N 3.12Å; K231-E235 VanDerWaalsContact CE-CD 3.44Å; K231-E235 WeakPolarHBondContact CE-OE1 3.4Å; K231-E235 HydrophobicContact CG-CG 4.3Å; K231-E235 IonicContact NZ-OE1 3.68Å; K231-E235 WeakPolarHBondContact O-CB 3.46Å; K231-E235 WeakPolarHBondContact O-CG 3.11Å; K231-E235 PolarHBondContact O-N 3.36Å
232S98.5Very high95.4Very high4 Ų452.1 Ų52.13%0.02825%0.249CC..Hα-helixtrans-62.6-38.1178.5-60.50000111.7N228 I229 I230 T236 R289N228-S232 VanDerWaalsContact O-CB 3.24Å; N228-S232 WeakPolarHBondContact O-CB 3.39Å; N228-S232 PolarHBondContact O-N 2.86Å; N228-S232 PolarHBondContact O-OG 2.89Å; I229-S232 WeakPolarHBondContact O-CB 3.4Å; I229-S232 PolarHBondContact O-N 3.27Å; I230-S232 VanDerWaalsContact C-N 3.32Å; I230-S232 PolarHBondContact O-N 3.07Å; S232-T236 WeakPolarHBondContact O-CB 3.14Å; S232-T236 VanDerWaalsContact O-CG2 3.27Å; S232-T236 WeakPolarHBondContact O-CG2 3.25Å; S232-T236 PolarHBondContact O-N 2.78Å; S232-T236 PolarHBondContact O-OG1 2.98Å; S232-R289 WeakPolarHBondContact OG-CB 3.47Å; S232-R289 PolarHBondContact OG-O 3.43Å
233H97.9Very high95.5Very high0 Ų055.7 Ų55.70%027%0.265CS..Hα-helixtrans-63.6-54174.3173.481.4000110.9I229 I230 K231 E235 T236 C237 F286 R316 R319 I369 A370I229-H233 WeakPolarHBondContact O-CB 3.27Å; I229-H233 PolarHBondContact O-N 3.43Å; I230-H233 WeakPolarHBondContact O-CB 3.27Å; I230-H233 PolarHBondContact O-N 2.77Å; K231-H233 VanDerWaalsContact C-N 3.29Å; K231-H233 PolarHBondContact O-N 3.01Å; H233-E235 VanDerWaalsContact C-N 3.33Å; H233-E235 PolarHBondContact O-N 3.49Å; H233-T236 CarbonylContact O-C 3.6Å; H233-T236 VanDerWaalsContact O-C 3.24Å; H233-T236 WeakPolarHBondContact O-CA 3.44Å; H233-T236 PolarHBondContact O-N 3.21Å; H233-T236 PolarHBondContact O-OG1 3.06Å; H233-C237 PolarHBondContact O-N 2.98Å; H233-C237 PolarHBondContact O-SG 3.45Å; H233-C237 VanDerWaalsContact O-SG 3.33Å; H233-F286 HydrophobicContact CB-CD2 4.33Å; H233-F286 HydrophobicContact CB-CE2 3.83Å; H233-R316 PolarHBondContact CE1-NE 3.13Å; H233-R316 PolarHBondContact CE1-NH2 3.48Å; H233-R316 PolarHBondContact ND1-NH2 2.9Å; H233-R316 WeakPolarHBondContact NE2-CG 3.46Å; H233-R319 WeakPolarHBondContact NE2-CD 3.24Å; H233-I369 VanDerWaalsContact NE2-CG2 3.31Å; H233-I369 WeakPolarHBondContact NE2-CG2 3.27Å; H233-A370 HydrophobicContact CB-CB 3.35Å
234L96.5Very high95.5Very high94 Ų9453.8 Ų53.849%0.49226%0.255SS..Hα-helixtrans-58.6-41.2179.8-64.9172.6000112.7I230 K231 T236 E366I230-L234 HydrophobicContact CG2-CD1 4.14Å; I230-L234 WeakPolarHBondContact O-CG 3.48Å; I230-L234 PolarHBondContact O-N 2.81Å; K231-L234 PolarHBondContact O-N 3.12Å; L234-T236 PolarHBondContact O-N 3.03Å; L234-E366 HydrophobicContact CD2-CB 4.46Å
235E96.3Very high95.1Very high101 Ų10151.4 Ų51.447%0.47225%0.252SS..THydrogen-bonded Turntrans-72.7-7.1175.6-68.9-179.4160.900114.1K231 H233 R289K231-E235 VanDerWaalsContact CE-CD 3.44Å; K231-E235 WeakPolarHBondContact CE-OE1 3.4Å; K231-E235 HydrophobicContact CG-CG 4.3Å; K231-E235 IonicContact NZ-OE1 3.68Å; K231-E235 WeakPolarHBondContact O-CB 3.46Å; K231-E235 WeakPolarHBondContact O-CG 3.11Å; K231-E235 PolarHBondContact O-N 3.36Å; H233-E235 VanDerWaalsContact C-N 3.33Å; H233-E235 PolarHBondContact O-N 3.49Å; E235-R289 IonicContact OE2-CZ 2.75Å; E235-R289 IonicContact OE2-NH1 2.9Å; E235-R289 PolarHBondContact OE2-NH1 3.17Å
236T96.8Very high94.9Very high1 Ų157.1 Ų57.11%0.00628%0.278CS..THydrogen-bonded Turntrans-130.118.9-179.664.40000113S232 H233 L234 Y282 E285 F286 R316S232-T236 WeakPolarHBondContact O-CB 3.14Å; S232-T236 VanDerWaalsContact O-CG2 3.27Å; S232-T236 WeakPolarHBondContact O-CG2 3.25Å; S232-T236 PolarHBondContact O-N 2.78Å; S232-T236 PolarHBondContact O-OG1 2.98Å; H233-T236 CarbonylContact O-C 3.6Å; H233-T236 VanDerWaalsContact O-C 3.24Å; H233-T236 WeakPolarHBondContact O-CA 3.44Å; H233-T236 PolarHBondContact O-N 3.21Å; H233-T236 PolarHBondContact O-OG1 3.06Å; L234-T236 PolarHBondContact O-N 3.03Å; T236-Y282 WeakPolarHBondContact O-CB 3.28Å; T236-E285 HydrophobicContact CG2-CB 4.15Å; T236-E285 HydrophobicContact CG2-CG 3.83Å; T236-F286 HydrophobicContact CG2-CB 4.39Å; T236-F286 WeakPolarHBondContact OG1-CB 3.31Å; T236-R316 PolarHBondContact O-NH1 3.1Å; T236-R316 PolarHBondContact OG1-NH2 3.42Å
237C92.8Very high94.7Very high22 Ų2258.4 Ų58.415%0.14929%0.285CS..  trans-81.8136165.9-830000109H233 Y239H233-C237 PolarHBondContact O-N 2.98Å; H233-C237 PolarHBondContact O-SG 3.45Å; H233-C237 VanDerWaalsContact O-SG 3.33Å; C237-Y239 PolarHBondContact O-N 3.26Å
238Q90.4Very high94.1Very high72 Ų7255.2 Ų55.234%0.33627%0.274SS..SBendtrans-66.2-28.1177.4-176.8178.2-11.800112.1Y282Q238-Y282 HydrophobicContact CB-CD2 4.14Å; Q238-Y282 HydrophobicContact CB-CE2 3.95Å; Q238-Y282 HydrophobicContact CG-CD2 4.49Å; Q238-Y282 HydrophobicContact CG-CE2 3.89Å
239Y92.4Very high93.4Very high62 Ų6264.1 Ų64.124%0.24331%0.305CS..SBendtrans-136.5138.5178.4-57.9-79.2000110.2C237 E243 L244 L247 R319 L329C237-Y239 PolarHBondContact O-N 3.26Å; Y239-E243 VanDerWaalsContact CA-OE2 3.31Å; Y239-E243 WeakPolarHBondContact CA-OE2 3.44Å; Y239-L244 HydrophobicContact CD2-CD2 4.19Å; Y239-L244 HydrophobicContact CG-CD2 4.04Å; Y239-L247 HydrophobicContact CD1-CD1 4.19Å; Y239-L247 HydrophobicContact CE1-CD1 4.16Å; Y239-R319 PolarHBondContact O-NH1 3.25Å; Y239-R319 PolarHBondContact O-NH2 3.48Å; Y239-L329 HydrophobicContact CD2-CD2 3.84Å; Y239-L329 HydrophobicContact CE1-CD2 4.43Å; Y239-L329 HydrophobicContact CE2-CD2 3.63Å; Y239-L329 HydrophobicContact CG-CD2 4.34Å
240T93.4Very high93.1Very high63 Ų6368.6 Ų68.639%0.38733%0.325SS..  trans-73.4164.8169.687.10000111E242 E243 L244T240-E242 VanDerWaalsContact C-N 3.25Å; T240-E242 WeakPolarHBondContact CB-OE2 3.44Å; T240-E242 PolarHBondContact O-N 3.35Å; T240-E242 PolarHBondContact OG1-N 3.31Å; T240-E242 PolarHBondContact OG1-OE2 3.2Å; T240-E243 PolarHBondContact N-OE2 2.96Å; T240-E243 PolarHBondContact O-N 3.47Å; T240-E243 PolarHBondContact OG1-N 3.32Å; T240-L244 WeakPolarHBondContact O-CG 3.43Å; T240-L244 PolarHBondContact O-N 3.17Å
241T90.4Very high92.9Very high50 Ų5071.8 Ų71.831%0.30735%0.345SS..Hα-helixtrans-60.2-38177.1-540000111.6L244 Q245T241-L244 PolarHBondContact O-N 3.12Å; T241-Q245 VanDerWaalsContact O-CG 3.27Å; T241-Q245 WeakPolarHBondContact O-CG 3.44Å; T241-Q245 PolarHBondContact O-N 2.98Å
242E91.6Very high92.6Very high107 Ų10767.4 Ų67.450%0.533%0.327SS..Hα-helixtrans-69.5-39.2178.9-54.871.4-154.700111.8T240 Q245 Q246T240-E242 VanDerWaalsContact C-N 3.25Å; T240-E242 WeakPolarHBondContact CB-OE2 3.44Å; T240-E242 PolarHBondContact O-N 3.35Å; T240-E242 PolarHBondContact OG1-N 3.31Å; T240-E242 PolarHBondContact OG1-OE2 3.2Å; E242-Q245 PolarHBondContact O-N 3.39Å; E242-Q246 VanDerWaalsContact O-CG 3.3Å; E242-Q246 WeakPolarHBondContact O-CG 3.45Å; E242-Q246 PolarHBondContact O-N 3.08Å
243E93.7Very high92.5Very high86 Ų8669.5 Ų69.540%0.40234%0.341SS..Hα-helixtrans-64-45.2174-68.7176.4142.800110.8Y239 T240 Q245 Q246 L247Y239-E243 VanDerWaalsContact CA-OE2 3.31Å; Y239-E243 WeakPolarHBondContact CA-OE2 3.44Å; T240-E243 PolarHBondContact N-OE2 2.96Å; T240-E243 PolarHBondContact O-N 3.47Å; T240-E243 PolarHBondContact OG1-N 3.32Å; E243-Q245 VanDerWaalsContact C-N 3.33Å; E243-Q245 PolarHBondContact O-N 3.42Å; E243-Q246 PolarHBondContact O-N 3.3Å; E243-Q246 VanDerWaalsContact O-N 3.16Å; E243-L247 VanDerWaalsContact O-CG 3.29Å; E243-L247 WeakPolarHBondContact O-CG 3.31Å; E243-L247 PolarHBondContact O-N 3.37Å
244L93.1Very high92.3Very high14 Ų1477.3 Ų77.37%0.07337%0.372CS..Hα-helixtrans-61.5-40.2176.4-67.7170000111.9Y239 T240 T241 Q246 L247 A248 R319 A320 L329Y239-L244 HydrophobicContact CD2-CD2 4.19Å; Y239-L244 HydrophobicContact CG-CD2 4.04Å; T240-L244 WeakPolarHBondContact O-CG 3.43Å; T240-L244 PolarHBondContact O-N 3.17Å; T241-L244 PolarHBondContact O-N 3.12Å; L244-Q246 PolarHBondContact O-N 3.28Å; L244-L247 CarbonylContact O-C 3.56Å; L244-L247 PolarHBondContact O-N 2.84Å; L244-A248 PolarHBondContact O-N 2.88Å; L244-R319 HydrophobicContact CD1-CB 4.15Å; L244-A320 HydrophobicContact CD2-CB 4.45Å; L244-L329 HydrophobicContact CD2-CD2 3.66Å
245Q88.4Confident92.2Very high127 Ų12778.9 Ų78.959%0.59338%0.376SS*.Hα-helixtrans-63.2-37.8173.8-74.2171.65.100112.9T241 E242 E243 A248T241-Q245 VanDerWaalsContact O-CG 3.27Å; T241-Q245 WeakPolarHBondContact O-CG 3.44Å; T241-Q245 PolarHBondContact O-N 2.98Å; E242-Q245 PolarHBondContact O-N 3.39Å; E243-Q245 VanDerWaalsContact C-N 3.33Å; E243-Q245 PolarHBondContact O-N 3.42Å; Q245-A248 WeakPolarHBondContact O-CB 3.39Å; Q245-A248 PolarHBondContact O-N 3.41Å
246Q91.4Very high92.2Very high138 Ų13876.5 Ų76.565%0.64537%0.365SS*.Hα-helixtrans-70.3-31.6175-70.4169.737.300112.7E242 E243 L244 Q250E242-Q246 VanDerWaalsContact O-CG 3.3Å; E242-Q246 WeakPolarHBondContact O-CG 3.45Å; E242-Q246 PolarHBondContact O-N 3.08Å; E243-Q246 PolarHBondContact O-N 3.3Å; E243-Q246 VanDerWaalsContact O-N 3.16Å; L244-Q246 PolarHBondContact O-N 3.28Å; Q246-Q250 PolarHBondContact O-NE2 3.22Å
247L92.6Very high92.1Very high28 Ų2877.2 Ų77.215%0.14737%0.37CS..Hα-helixtrans-82-19.5176.7-65.5175.3000113.1Y239 E243 L244 W249 Q250 L329 Y334Y239-L247 HydrophobicContact CD1-CD1 4.19Å; Y239-L247 HydrophobicContact CE1-CD1 4.16Å; E243-L247 VanDerWaalsContact O-CG 3.29Å; E243-L247 WeakPolarHBondContact O-CG 3.31Å; E243-L247 PolarHBondContact O-N 3.37Å; L244-L247 CarbonylContact O-C 3.56Å; L244-L247 PolarHBondContact O-N 2.84Å; L247-W249 PolarHBondContact O-N 2.94Å; L247-Q250 WeakPolarHBondContact O-CB 3.5Å; L247-Q250 PolarHBondContact O-N 3.43Å; L247-L329 HydrophobicContact CB-CD1 4.28Å; L247-L329 HydrophobicContact CD1-CD1 4.08Å; L247-L329 HydrophobicContact CD1-CD2 3.96Å; L247-Y334 HydrophobicContact CB-CE2 4.12Å; L247-Y334 VanDerWaalsContact O-CD2 3.28Å; L247-Y334 WeakPolarHBondContact O-CD2 3.39Å
248A85.8Confident92.2Very high24 Ų2482 Ų8220%0.19839%0.388CS..THydrogen-bonded Turntrans-55.6-26.2-173.900000115.1L244 Q245L244-A248 PolarHBondContact O-N 2.88Å; Q245-A248 WeakPolarHBondContact O-CB 3.39Å; Q245-A248 PolarHBondContact O-N 3.41Å
249W84.4Confident92.4Very high228 Ų22883.3 Ų83.386%0.86440%0.395SS*.THydrogen-bonded Turntrans-96.2-7177.5-55.5104000113.8L247 T251L247-W249 PolarHBondContact O-N 2.94Å; W249-T251 PolarHBondContact O-N 2.88Å
250Q92.7Very high92.6Very high95 Ų9580.6 Ų80.644%0.44438%0.384SS..  trans-88.983.6179.6-57.8-171.738.800109.2Q246 L247 K333 Y334Q246-Q250 PolarHBondContact O-NE2 3.22Å; L247-Q250 WeakPolarHBondContact O-CB 3.5Å; L247-Q250 PolarHBondContact O-N 3.43Å; Q250-K333 HydrophobicContact CB-CG 4.42Å; Q250-K333 CarbonylContact O-C 3.47Å; Q250-K333 VanDerWaalsContact O-CA 3.23Å; Q250-K333 WeakPolarHBondContact O-CA 3.39Å; Q250-K333 WeakPolarHBondContact O-CB 3.25Å; Q250-Y334 PolarHBondContact O-N 2.95Å
251T93.1Very high92.7Very high73 Ų7381.3 Ų81.345%0.44838%0.384SS..BIsolated β-bridgetrans-89.8156.7176.553.90000112.2W249 Y334W249-T251 PolarHBondContact O-N 2.88Å; T251-Y334 CarbonylContact C-O 3.24Å; T251-Y334 VanDerWaalsContact CA-O 3.25Å; T251-Y334 WeakPolarHBondContact CA-O 3.31Å
252H92.9Very high92.9Very high27 Ų2783.2 Ų83.213%0.12540%0.399CS..PPolyproline II helixtrans-68137.2170.6-84.4-63.9000112.1E256 V257 Y260 F330 Y334 M339H252-E256 VanDerWaalsContact CA-OE2 3.31Å; H252-E256 WeakPolarHBondContact CA-OE2 3.19Å; H252-E256 HydrophobicContact CB-CB 4.28Å; H252-E256 IonicContact CG-OE2 2.76Å; H252-E256 IonicContact ND1-OE2 2.95Å; H252-E256 PolarHBondContact ND1-OE2 3.36Å; H252-V257 HydrophobicContact CB-CG2 4.01Å; H252-Y260 AromaticContact CE1-CE2 3.81Å; H252-Y260 AromaticContact NE2-CE2 3.92Å; H252-F330 PolarHBondContact NE2-O 3.16Å; H252-Y334 PolarHBondContact N-O 3.3Å; H252-M339 HydrophobicContact CB-SD 3.95Å; H252-M339 PolarHBondContact CD2-SD 3.5Å
253S94.6Very high93.1Very high47 Ų4780.2 Ų80.233%0.32938%0.384SS..PPolyproline II helixtrans-71.8164.4174.493.60000111.5E255 E256 V257S253-E255 WeakPolarHBondContact CB-OE2 3.25Å; S253-E255 PolarHBondContact O-N 3.19Å; S253-E255 PolarHBondContact OG-N 3.33Å; S253-E255 PolarHBondContact OG-OE2 3.06Å; S253-E256 PolarHBondContact N-OE2 3.46Å; S253-E256 PolarHBondContact O-N 2.85Å; S253-E256 PolarHBondContact OG-N 3.49Å; S253-V257 WeakPolarHBondContact O-CG2 3.31Å; S253-V257 PolarHBondContact O-N 2.87Å
254Y94.3Very high93.2Very high165 Ų16579.8 Ų79.865%0.64739%0.389SS*.Hα-helixtrans-57.2-38.7175.5172.9-105000112.2K258Y254-K258 WeakPolarHBondContact O-CB 3.26Å; Y254-K258 PolarHBondContact O-N 2.95Å
255E95.6Very high93.3Very high126 Ų12682.3 Ų82.359%0.58940%0.397SS*.Hα-helixtrans-67.2-40.9177.5-57.867.3-144.100111.5S253 K258 M259S253-E255 WeakPolarHBondContact CB-OE2 3.25Å; S253-E255 PolarHBondContact O-N 3.19Å; S253-E255 PolarHBondContact OG-N 3.33Å; S253-E255 PolarHBondContact OG-OE2 3.06Å; E255-K258 PolarHBondContact O-N 3.1Å; E255-M259 WeakPolarHBondContact O-CB 3.4Å; E255-M259 PolarHBondContact O-N 3.31Å
256E95.3Very high93.7Very high52 Ų5278.2 Ų78.224%0.24338%0.38CS..Hα-helixtrans-66.2-44.3175.9-66.2-179.4142.300111.4H252 S253 K258 M259 Y260 K333H252-E256 VanDerWaalsContact CA-OE2 3.31Å; H252-E256 WeakPolarHBondContact CA-OE2 3.19Å; H252-E256 HydrophobicContact CB-CB 4.28Å; H252-E256 IonicContact CG-OE2 2.76Å; H252-E256 IonicContact ND1-OE2 2.95Å; H252-E256 PolarHBondContact ND1-OE2 3.36Å; S253-E256 PolarHBondContact N-OE2 3.46Å; S253-E256 PolarHBondContact O-N 2.85Å; S253-E256 PolarHBondContact OG-N 3.49Å; E256-K258 VanDerWaalsContact C-N 3.31Å; E256-K258 PolarHBondContact O-N 2.45Å; E256-M259 WeakPolarHBondContact O-CB 3.21Å; E256-M259 PolarHBondContact O-N 3.45Å; E256-Y260 VanDerWaalsContact O-CD2 3.27Å; E256-Y260 WeakPolarHBondContact O-CD2 3.39Å; E256-Y260 PolarHBondContact O-N 2.93Å; E256-K333 IonicContact OE1-NZ 2.67Å; E256-K333 PolarHBondContact OE1-NZ 3.11Å; E256-K333 IonicContact OE2-NZ 2.87Å; E256-K333 PolarHBondContact OE2-NZ 3.32Å
257V95.1Very high93.8Very high16 Ų1674.3 Ų74.310%0.09737%0.365CS..Hα-helixtrans-58.8-44.1173.5172.20000110.7H252 S253 M259 Y260 Q261 Q338 M339H252-V257 HydrophobicContact CB-CG2 4.01Å; S253-V257 WeakPolarHBondContact O-CG2 3.31Å; S253-V257 PolarHBondContact O-N 2.87Å; V257-M259 VanDerWaalsContact C-N 3.34Å; V257-M259 PolarHBondContact O-N 2.9Å; V257-Y260 WeakPolarHBondContact O-CB 3.24Å; V257-Y260 PolarHBondContact O-N 3.13Å; V257-Q261 WeakPolarHBondContact O-CG 3.44Å; V257-Q261 PolarHBondContact O-N 2.61Å; V257-Q338 HydrophobicContact CG1-CG 3.61Å; V257-M339 HydrophobicContact CG1-CG 4.35Å; V257-M339 HydrophobicContact CG2-CG 3.99Å; V257-M339 HydrophobicContact CG2-SD 4.25Å
258K95.2Very high94Very high122 Ų12273 Ų7353%0.5336%0.358SS..Hα-helixtrans-65.2-37.1177.1-171.2178.6-179.7-177.70112.2Y254 E255 E256 Y260 Q261 S262Y254-K258 WeakPolarHBondContact O-CB 3.26Å; Y254-K258 PolarHBondContact O-N 2.95Å; E255-K258 PolarHBondContact O-N 3.1Å; E256-K258 VanDerWaalsContact C-N 3.31Å; E256-K258 PolarHBondContact O-N 2.45Å; K258-Y260 VanDerWaalsContact C-N 3.34Å; K258-Q261 PolarHBondContact O-N 3.26Å; K258-S262 PolarHBondContact O-N 3.25Å; K258-S262 PolarHBondContact O-OG 2.94Å
259M95.1Very high94.5Very high99 Ų9972.3 Ų72.349%0.48835%0.35SS..Hα-helixtrans-60.7-43.5173.2178.3-171.464.500110.9E255 E256 V257 S262 K263E255-M259 WeakPolarHBondContact O-CB 3.4Å; E255-M259 PolarHBondContact O-N 3.31Å; E256-M259 WeakPolarHBondContact O-CB 3.21Å; E256-M259 PolarHBondContact O-N 3.45Å; V257-M259 VanDerWaalsContact C-N 3.34Å; V257-M259 PolarHBondContact O-N 2.9Å; M259-S262 WeakPolarHBondContact CA-OG 3.39Å; M259-S262 PolarHBondContact O-N 3.39Å; M259-S262 PolarHBondContact O-OG 3.37Å; M259-K263 PolarHBondContact O-N 3.43Å
260Y95.6Very high95.1Very high5 Ų563.9 Ų63.92%0.0232%0.321CS..Hα-helixtrans-59.8-46.7173-84.3-72000112.2H252 E256 V257 K258 S262 K263 L268 Q271 F330 E331 M339 S342H252-Y260 AromaticContact CE1-CE2 3.81Å; H252-Y260 AromaticContact NE2-CE2 3.92Å; E256-Y260 VanDerWaalsContact O-CD2 3.27Å; E256-Y260 WeakPolarHBondContact O-CD2 3.39Å; E256-Y260 PolarHBondContact O-N 2.93Å; V257-Y260 WeakPolarHBondContact O-CB 3.24Å; V257-Y260 PolarHBondContact O-N 3.13Å; K258-Y260 VanDerWaalsContact C-N 3.34Å; Y260-S262 PolarHBondContact O-N 3.18Å; Y260-K263 HydrophobicContact CD1-CD 3.79Å; Y260-K263 VanDerWaalsContact CD1-CE 3.48Å; Y260-K263 HydrophobicContact CE1-CD 4.31Å; Y260-K263 WeakPolarHBondContact O-CB 3.39Å; Y260-K263 PolarHBondContact O-N 3.19Å; Y260-K263 VanDerWaalsContact O-N 3.1Å; Y260-L268 HydrophobicContact CD1-CD1 3.82Å; Y260-L268 HydrophobicContact CE1-CD1 4.14Å; Y260-Q271 PolarHBondContact OH-NE2 3.11Å; Y260-F330 HydrophobicContact CE1-CD1 4.25Å; Y260-F330 AromaticContact CE1-CE1 3.83Å; Y260-F330 HydrophobicContact CE1-CE1 3.83Å; Y260-E331 PolarHBondContact OH-OE2 3.39Å; Y260-E331 VanDerWaalsContact OH-OE2 3.14Å; Y260-M339 HydrophobicContact CD2-SD 4Å; Y260-M339 HydrophobicContact CE2-SD 4.23Å; Y260-M339 HydrophobicContact CG-CB 4.33Å; Y260-S342 PolarHBondContact O-OG 3.47Å
261Q95.2Very high95.2Very high79 Ų7960.5 Ų60.537%0.36931%0.305SS..Hα-helixtrans-64-24.3177.5-69.9173.7-600113.9V257 K258 Q338 S342V257-Q261 WeakPolarHBondContact O-CG 3.44Å; V257-Q261 PolarHBondContact O-N 2.61Å; K258-Q261 PolarHBondContact O-N 3.26Å; Q261-Q338 VanDerWaalsContact CG-O 3.27Å; Q261-Q338 WeakPolarHBondContact CG-O 3.46Å; Q261-Q338 PolarHBondContact NE2-O 3.02Å; Q261-S342 VanDerWaalsContact CA-OG 3.27Å; Q261-S342 WeakPolarHBondContact CA-OG 3.37Å; Q261-S342 PolarHBondContact O-OG 2.92Å
262S95.9Very high95.4Very high89 Ų8957.8 Ų57.862%0.62229%0.288SS*.THydrogen-bonded Turntrans-88.6-4.9174.864.20000114.9K258 M259 Y260K258-S262 PolarHBondContact O-N 3.25Å; K258-S262 PolarHBondContact O-OG 2.94Å; M259-S262 WeakPolarHBondContact CA-OG 3.39Å; M259-S262 PolarHBondContact O-N 3.39Å; M259-S262 PolarHBondContact O-OG 3.37Å; Y260-S262 PolarHBondContact O-N 3.18Å
263K95.7Very high95.6Very high45 Ų4556.5 Ų56.520%0.19628%0.283CS..SBendtrans-65.4141.2177.8-76.9166.4-175-95.30110.6M259 Y260 L268M259-K263 PolarHBondContact O-N 3.43Å; Y260-K263 HydrophobicContact CD1-CD 3.79Å; Y260-K263 VanDerWaalsContact CD1-CE 3.48Å; Y260-K263 HydrophobicContact CE1-CD 4.31Å; Y260-K263 WeakPolarHBondContact O-CB 3.39Å; Y260-K263 PolarHBondContact O-N 3.19Å; Y260-K263 VanDerWaalsContact O-N 3.1Å; K263-L268 HydrophobicContact CB-CB 4.31Å; K263-L268 HydrophobicContact CD-CB 4.43Å; K263-L268 HydrophobicContact CD-CD1 4.04Å
264P96.1Very high95.6Very high76 Ų7656.9 Ų56.949%0.49428%0.28SS..  trans-53.2142.7162.2-25.435.6000111.3D266 V267 L268P264-D266 VanDerWaalsContact C-N 3.27Å; P264-D266 WeakPolarHBondContact CB-OD1 3.39Å; P264-D266 PolarHBondContact O-N 2.9Å; P264-V267 HydrophobicContact CB-CB 4.34Å; P264-V267 HydrophobicContact CB-CG2 4Å; P264-V267 HydrophobicContact CG-CG2 4.15Å; P264-V267 PolarHBondContact O-N 3.47Å; P264-V267 VanDerWaalsContact O-N 3.16Å; P264-L268 PolarHBondContact O-N 2.9Å; P264-L268 VanDerWaalsContact O-N 3.16Å
265R94.9Very high95.7Very high67 Ų6751.3 Ų51.325%0.25326%0.26SS..Hα-helixtrans-52.5-47-176.5-178.4175.9-165.2-166.74.2111.6L268 W269 S342 L343 G344 F440R265-L268 PolarHBondContact O-N 3.11Å; R265-W269 WeakPolarHBondContact O-CB 3.35Å; R265-W269 VanDerWaalsContact O-CD1 3.29Å; R265-W269 PolarHBondContact O-N 3.07Å; R265-S342 WeakPolarHBondContact CA-O 3.21Å; R265-S342 WeakPolarHBondContact CB-O 3.21Å; R265-S342 WeakPolarHBondContact CG-O 3.35Å; R265-L343 PolarHBondContact NE-O 3.38Å; R265-L343 PolarHBondContact NH2-O 3.29Å; R265-L343 VanDerWaalsContact NH2-O 3.15Å; R265-G344 PolarHBondContact NH2-O 3.33Å; R265-G344 VanDerWaalsContact NH2-O 3.16Å; R265-F440 HydrophobicContact CG-CD2 4.35Å; R265-F440 HydrophobicContact CG-CE2 4.23Å
266D95.2Very high95.8Very high42 Ų4247.1 Ų47.123%0.22524%0.242CC..Hα-helixtrans-65.8-36.9-17866.2-45.9000113.8P264 Q270 F440 T447P264-D266 VanDerWaalsContact C-N 3.27Å; P264-D266 WeakPolarHBondContact CB-OD1 3.39Å; P264-D266 PolarHBondContact O-N 2.9Å; D266-Q270 WeakPolarHBondContact O-CB 3.47Å; D266-Q270 PolarHBondContact O-N 3.31Å; D266-F440 HydrophobicContact CB-CE2 4.12Å; D266-F440 HydrophobicContact CB-CZ 3.91Å; D266-T447 HydrophobicContact CB-CG2 4.05Å
267V95.4Very high95.8Very high56 Ų5645 Ų4534%0.33923%0.232SC..Hα-helixtrans-65.6-44.1174.6175.10000111.1P264 Q270 Q271P264-V267 HydrophobicContact CB-CB 4.34Å; P264-V267 HydrophobicContact CB-CG2 4Å; P264-V267 HydrophobicContact CG-CG2 4.15Å; P264-V267 PolarHBondContact O-N 3.47Å; P264-V267 VanDerWaalsContact O-N 3.16Å; V267-Q270 PolarHBondContact O-N 3.44Å; V267-Q271 WeakPolarHBondContact O-CB 3.39Å; V267-Q271 PolarHBondContact O-N 3.06Å
268L95.8Very high95.9Very high0 Ų047.7 Ų47.70%024%0.243CC..Hα-helixtrans-70-38.3178.7-171.855.5000111.7Y260 K263 P264 R265 Q271 C272 L343Y260-L268 HydrophobicContact CD1-CD1 3.82Å; Y260-L268 HydrophobicContact CE1-CD1 4.14Å; K263-L268 HydrophobicContact CB-CB 4.31Å; K263-L268 HydrophobicContact CD-CB 4.43Å; K263-L268 HydrophobicContact CD-CD1 4.04Å; P264-L268 PolarHBondContact O-N 2.9Å; P264-L268 VanDerWaalsContact O-N 3.16Å; R265-L268 PolarHBondContact O-N 3.11Å; L268-Q271 WeakPolarHBondContact O-CB 3.27Å; L268-Q271 PolarHBondContact O-N 3.39Å; L268-C272 PolarHBondContact O-N 2.86Å; L268-C272 PolarHBondContact O-SG 2.97Å; L268-L343 HydrophobicContact CB-CD2 4.07Å; L268-L343 HydrophobicContact CD2-CD2 4.18Å; L268-L343 HydrophobicContact CD2-CG 3.99Å; L268-L343 HydrophobicContact CG-CD2 3.7Å; L268-L343 HydrophobicContact CG-CG 4.03Å
269W96.5Very high95.9Very high10 Ų1043 Ų434%0.03823%0.227CC..Hα-helixtrans-59.8-45.5172.1-95.294.6000112.4R265 Q271 C272 A273 L343 C345 E436 L437 F440 F452R265-W269 WeakPolarHBondContact O-CB 3.35Å; R265-W269 VanDerWaalsContact O-CD1 3.29Å; R265-W269 PolarHBondContact O-N 3.07Å; W269-Q271 VanDerWaalsContact C-N 3.3Å; W269-Q271 PolarHBondContact O-N 3.19Å; W269-C272 PolarHBondContact O-N 3.02Å; W269-A273 WeakPolarHBondContact O-CB 3.49Å; W269-A273 PolarHBondContact O-N 2.85Å; W269-L343 HydrophobicContact CB-CD2 4.26Å; W269-L343 HydrophobicContact CD2-CD2 4.08Å; W269-L343 HydrophobicContact CG-CD2 3.72Å; W269-L343 PolarHBondContact NE1-O 2.89Å; W269-C345 HydrophobicContact CZ2-CB 4.44Å; W269-E436 HydrophobicContact CH2-CB 4Å; W269-E436 HydrophobicContact CZ2-CB 4.23Å; W269-L437 HydrophobicContact CZ3-CB 4.43Å; W269-L437 HydrophobicContact CZ3-CD1 4.22Å; W269-F440 HydrophobicContact CB-CD1 4.43Å; W269-F440 HydrophobicContact CB-CD2 4.3Å; W269-F440 HydrophobicContact CB-CE1 3.95Å; W269-F440 HydrophobicContact CB-CE2 3.81Å; W269-F440 HydrophobicContact CB-CZ 3.63Å; W269-F440 AromaticContact CD1-CD2 3.52Å; W269-F440 AromaticContact CD1-CE2 3.63Å; W269-F440 HydrophobicContact CD2-CB 4.37Å; W269-F440 HydrophobicContact CD2-CD1 4.13Å; W269-F440 HydrophobicContact CD2-CD2 4.05Å; W269-F440 HydrophobicContact CD2-CE2 4.45Å; W269-F440 AromaticContact CD2-CG 3.89Å; W269-F440 HydrophobicContact CD2-CG 3.89Å; W269-F440 HydrophobicContact CE3-CD1 4.31Å; W269-F440 HydrophobicContact CE3-CG 4.4Å; W269-F440 HydrophobicContact CG-CD1 4.2Å; W269-F440 AromaticContact CG-CD2 3.69Å; W269-F440 HydrophobicContact CG-CD2 3.69Å; W269-F440 HydrophobicContact CG-CE1 4.18Å; W269-F440 AromaticContact CG-CE2 3.68Å; W269-F440 HydrophobicContact CG-CE2 3.68Å; W269-F440 AromaticContact CG-CG 3.98Å; W269-F440 HydrophobicContact CG-CG 3.98Å; W269-F440 AromaticContact CG-CZ 3.94Å; W269-F440 HydrophobicContact CG-CZ 3.94Å; W269-F440 HydrophobicContact CZ2-CB 4.22Å; W269-F440 AromaticContact NE1-CD2 3.74Å; W269-F452 HydrophobicContact CB-CE1 4.46Å; W269-F452 HydrophobicContact CB-CZ 4.14Å; W269-F452 HydrophobicContact CE3-CZ 4.31Å
270Q96Very high96Very high51 Ų5138.2 Ų38.224%0.23820%0.204CC..Hα-helixtrans-59.7-42.2174.1-171.1-166.73.600111.4D266 V267 A273 I274 L451 F452D266-Q270 WeakPolarHBondContact O-CB 3.47Å; D266-Q270 PolarHBondContact O-N 3.31Å; V267-Q270 PolarHBondContact O-N 3.44Å; Q270-A273 PolarHBondContact O-N 2.95Å; Q270-I274 HydrophobicContact CG-CD1 4.12Å; Q270-I274 VanDerWaalsContact O-CG1 3.3Å; Q270-I274 WeakPolarHBondContact O-CG1 3.5Å; Q270-I274 PolarHBondContact O-N 3.2Å; Q270-L451 HydrophobicContact CG-CB 4.28Å; Q270-L451 PolarHBondContact NE2-O 3.39Å; Q270-L451 VanDerWaalsContact NE2-O 3.09Å; Q270-F452 HydrophobicContact CB-CD1 4.34Å; Q270-F452 HydrophobicContact CB-CE1 4.14Å; Q270-F452 HydrophobicContact CG-CD1 4.34Å
271Q95.8Very high96.1Very high24 Ų2442.8 Ų42.811%0.11223%0.225CC..Hα-helixtrans-63.2-46.1179.5-165174-1.700111.4Y260 V267 L268 W269 I274 Q275 F330 E331Y260-Q271 PolarHBondContact OH-NE2 3.11Å; V267-Q271 WeakPolarHBondContact O-CB 3.39Å; V267-Q271 PolarHBondContact O-N 3.06Å; L268-Q271 WeakPolarHBondContact O-CB 3.27Å; L268-Q271 PolarHBondContact O-N 3.39Å; W269-Q271 VanDerWaalsContact C-N 3.3Å; W269-Q271 PolarHBondContact O-N 3.19Å; Q271-I274 PolarHBondContact O-N 3.24Å; Q271-Q275 WeakPolarHBondContact O-CG 3.36Å; Q271-Q275 PolarHBondContact O-N 2.97Å; Q271-Q275 VanDerWaalsContact O-N 3.11Å; Q271-F330 HydrophobicContact CG-CZ 4.41Å; Q271-E331 WeakPolarHBondContact CG-OE1 3.1Å; Q271-E331 PolarHBondContact NE2-OE1 2.93Å; Q271-E331 PolarHBondContact NE2-OE2 2.91Å
272C96.8Very high96.2Very high15 Ų1543.6 Ų43.610%0.10123%0.226CC..Hα-helixtrans-61.5-43.9172.9-69.70000112.3L268 W269 I274 Q275 I276L268-C272 PolarHBondContact O-N 2.86Å; L268-C272 PolarHBondContact O-SG 2.97Å; W269-C272 PolarHBondContact O-N 3.02Å; C272-I274 VanDerWaalsContact C-N 3.29Å; C272-I274 PolarHBondContact O-N 3.23Å; C272-Q275 PolarHBondContact O-N 3Å; C272-I276 WeakPolarHBondContact O-CB 3.41Å; C272-I276 WeakPolarHBondContact O-CG1 2.8Å; C272-I276 PolarHBondContact O-N 3.33Å
273A96.9Very high96.3Very high1 Ų139.4 Ų39.41%0.00820%0.196CC..Hα-helixtrans-60.9-35.7176.800000112.6W269 Q270 T277 F452 Y456W269-A273 WeakPolarHBondContact O-CB 3.49Å; W269-A273 PolarHBondContact O-N 2.85Å; Q270-A273 PolarHBondContact O-N 2.95Å; A273-T277 WeakPolarHBondContact O-CB 3.38Å; A273-T277 PolarHBondContact O-N 3.47Å; A273-T277 PolarHBondContact O-OG1 3.14Å; A273-F452 HydrophobicContact CB-CD1 4.33Å; A273-F452 HydrophobicContact CB-CD2 3.94Å; A273-F452 HydrophobicContact CB-CE1 4.36Å; A273-F452 HydrophobicContact CB-CE2 3.96Å; A273-F452 HydrophobicContact CB-CG 4.12Å; A273-F452 HydrophobicContact CB-CZ 4.18Å; A273-Y456 HydrophobicContact CB-CD1 4.26Å; A273-Y456 HydrophobicContact CB-CD2 3.98Å; A273-Y456 HydrophobicContact CB-CE1 4.24Å; A273-Y456 HydrophobicContact CB-CE2 3.99Å; A273-Y456 HydrophobicContact CB-CG 4.13Å
274I96.3Very high96.4Very high54 Ų5438.6 Ų38.628%0.27720%0.195SC..Hα-helixtrans-64.2-50.2172.8-71.1163.1000111.1Q270 Q271 C272 I276 T277 H278 P453Q270-I274 HydrophobicContact CG-CD1 4.12Å; Q270-I274 VanDerWaalsContact O-CG1 3.3Å; Q270-I274 WeakPolarHBondContact O-CG1 3.5Å; Q270-I274 PolarHBondContact O-N 3.2Å; Q271-I274 PolarHBondContact O-N 3.24Å; C272-I274 VanDerWaalsContact C-N 3.29Å; C272-I274 PolarHBondContact O-N 3.23Å; I274-I276 PolarHBondContact O-N 3.18Å; I274-T277 WeakPolarHBondContact O-CB 3.32Å; I274-T277 PolarHBondContact O-N 3.26Å; I274-T277 VanDerWaalsContact O-N 3.16Å; I274-H278 WeakPolarHBondContact CG2-CE1 3.36Å; I274-H278 PolarHBondContact O-N 3.45Å; I274-H278 PolarHBondContact O-ND1 3.28Å; I274-P453 HydrophobicContact CG1-CG 3.81Å
275Q96.1Very high96.5Very high49 Ų4938.4 Ų38.423%0.22919%0.187CC..Hα-helixtrans-65.1-41.7-179.1-58.8-54.7-12.900112.2Q271 C272 T277 H278 A279 F330 E331Q271-Q275 WeakPolarHBondContact O-CG 3.36Å; Q271-Q275 PolarHBondContact O-N 2.97Å; Q271-Q275 VanDerWaalsContact O-N 3.11Å; C272-Q275 PolarHBondContact O-N 3Å; Q275-T277 VanDerWaalsContact C-N 3.31Å; Q275-T277 PolarHBondContact O-N 2.92Å; Q275-H278 PolarHBondContact O-N 3.14Å; Q275-A279 PolarHBondContact O-N 2.86Å; Q275-A279 VanDerWaalsContact O-N 3.08Å; Q275-F330 HydrophobicContact CB-CE2 4.24Å; Q275-F330 HydrophobicContact CG-CE2 3.91Å; Q275-F330 HydrophobicContact CG-CZ 4.11Å; Q275-E331 PolarHBondContact NE2-OE1 3.45Å
276I96.4Very high96.7Very high38 Ų3835.2 Ų35.220%0.19518%0.175CC..Hα-helixtrans-60.1-41.6172.7-67.8166.7000110.5C272 I274 H278 A279 I280 L310 Y456 F460C272-I276 WeakPolarHBondContact O-CB 3.41Å; C272-I276 WeakPolarHBondContact O-CG1 2.8Å; C272-I276 PolarHBondContact O-N 3.33Å; I274-I276 PolarHBondContact O-N 3.18Å; I276-H278 PolarHBondContact O-N 3.05Å; I276-A279 PolarHBondContact O-N 2.95Å; I276-I280 HydrophobicContact CG2-CD1 3.62Å; I276-I280 HydrophobicContact CG2-CG1 4.22Å; I276-I280 WeakPolarHBondContact O-CB 3.43Å; I276-I280 VanDerWaalsContact O-CG1 3.24Å; I276-I280 WeakPolarHBondContact O-CG1 3.4Å; I276-I280 PolarHBondContact O-N 3.35Å; I276-L310 HydrophobicContact CG2-CD1 4.47Å; I276-Y456 HydrophobicContact CB-CD2 4.38Å; I276-Y456 HydrophobicContact CB-CE2 4.2Å; I276-Y456 HydrophobicContact CD1-CE2 4.27Å; I276-Y456 HydrophobicContact CG2-CD2 4.08Å; I276-Y456 HydrophobicContact CG2-CE2 3.92Å; I276-F460 HydrophobicContact CG2-CE2 4.25Å
277T96.7Very high96.8Very high6 Ų633.2 Ų33.24%0.03717%0.165CC..Hα-helixtrans-60.5-43.4176.8-60.20000112.5A273 I274 Q275 I280 Q281 P453 L455 Y456A273-T277 WeakPolarHBondContact O-CB 3.38Å; A273-T277 PolarHBondContact O-N 3.47Å; A273-T277 PolarHBondContact O-OG1 3.14Å; I274-T277 WeakPolarHBondContact O-CB 3.32Å; I274-T277 PolarHBondContact O-N 3.26Å; I274-T277 VanDerWaalsContact O-N 3.16Å; Q275-T277 VanDerWaalsContact C-N 3.31Å; Q275-T277 PolarHBondContact O-N 2.92Å; T277-I280 PolarHBondContact O-N 3.42Å; T277-Q281 WeakPolarHBondContact O-CG 3.27Å; T277-Q281 PolarHBondContact O-N 2.96Å; T277-Q281 VanDerWaalsContact O-N 3.08Å; T277-P453 HydrophobicContact CG2-CB 3.8Å; T277-P453 HydrophobicContact CG2-CG 4.37Å; T277-P453 WeakPolarHBondContact OG1-CB 3.44Å; T277-P453 WeakPolarHBondContact OG1-CG 3.32Å; T277-L455 HydrophobicContact CG2-CB 4.09Å; T277-L455 HydrophobicContact CG2-CD2 4.26Å; T277-Y456 WeakPolarHBondContact OG1-CB 3.25Å
278H95.4Very high97Very high74 Ų7435.2 Ų35.234%0.34317%0.169SC..Hα-helixtrans-61.3-48.6176.6-63.5148000110.7I274 Q275 I276 I280 Q281 Y282I274-H278 WeakPolarHBondContact CG2-CE1 3.36Å; I274-H278 PolarHBondContact O-N 3.45Å; I274-H278 PolarHBondContact O-ND1 3.28Å; Q275-H278 PolarHBondContact O-N 3.14Å; I276-H278 PolarHBondContact O-N 3.05Å; H278-I280 VanDerWaalsContact C-N 3.31Å; H278-I280 PolarHBondContact O-N 2.94Å; H278-Q281 WeakPolarHBondContact O-CB 3.34Å; H278-Q281 PolarHBondContact O-N 3.47Å; H278-Q281 VanDerWaalsContact O-N 3.14Å; H278-Y282 WeakPolarHBondContact O-CD2 3.39Å; H278-Y282 PolarHBondContact O-N 3.31Å
279A96.6Very high97.1Very high22 Ų2239.6 Ų39.618%0.18219%0.185CC..Hα-helixtrans-58.3-41.8177.100000112.4Q275 I276 Q281 Y282 V283 V313Q275-A279 PolarHBondContact O-N 2.86Å; Q275-A279 VanDerWaalsContact O-N 3.08Å; I276-A279 PolarHBondContact O-N 2.95Å; A279-Q281 PolarHBondContact O-N 3.31Å; A279-Y282 WeakPolarHBondContact O-CB 3.31Å; A279-Y282 PolarHBondContact O-N 2.93Å; A279-V283 PolarHBondContact O-N 3.38Å; A279-V283 VanDerWaalsContact O-N 3.13Å; A279-V313 HydrophobicContact CB-CG1 4.04Å; A279-V313 HydrophobicContact CB-CG2 3.78Å
280I96.9Very high97.1Very high0 Ų039.4 Ų39.40%019%0.185CC..Hα-helixtrans-62.2-37.9176.5-73.1173.3000112.3I276 T277 H278 Y282 V283 V284 C309 V313 L455 L459 F460I276-I280 HydrophobicContact CG2-CD1 3.62Å; I276-I280 HydrophobicContact CG2-CG1 4.22Å; I276-I280 WeakPolarHBondContact O-CB 3.43Å; I276-I280 VanDerWaalsContact O-CG1 3.24Å; I276-I280 WeakPolarHBondContact O-CG1 3.4Å; I276-I280 PolarHBondContact O-N 3.35Å; T277-I280 PolarHBondContact O-N 3.42Å; H278-I280 VanDerWaalsContact C-N 3.31Å; H278-I280 PolarHBondContact O-N 2.94Å; I280-Y282 PolarHBondContact O-N 2.78Å; I280-V283 PolarHBondContact O-N 3.06Å; I280-V284 HydrophobicContact CG2-CG2 4.25Å; I280-V284 WeakPolarHBondContact O-CG2 3.44Å; I280-V284 PolarHBondContact O-N 3.14Å; I280-C309 HydrophobicContact CG1-CB 4.28Å; I280-C309 HydrophobicContact CG2-CB 4.29Å; I280-V313 HydrophobicContact CG1-CG2 3.97Å; I280-L455 HydrophobicContact CG2-CD2 3.91Å; I280-L455 HydrophobicContact CG2-CG 4.28Å; I280-L459 HydrophobicContact CD1-CD1 3.87Å; I280-L459 HydrophobicContact CG2-CD1 3.44Å; I280-L459 VanDerWaalsContact CG2-CD1 3.44Å; I280-F460 HydrophobicContact CD1-CE2 3.56Å; I280-F460 HydrophobicContact CD1-CZ 3.66Å
281Q96.9Very high97.1Very high101 Ų10140.1 Ų40.147%0.47220%0.196SC..Hα-helixtrans-59.7-38.8177.2-71.8169.6-4.900111.7T277 H278 A279 V284 E285 L455T277-Q281 WeakPolarHBondContact O-CG 3.27Å; T277-Q281 PolarHBondContact O-N 2.96Å; T277-Q281 VanDerWaalsContact O-N 3.08Å; H278-Q281 WeakPolarHBondContact O-CB 3.34Å; H278-Q281 PolarHBondContact O-N 3.47Å; H278-Q281 VanDerWaalsContact O-N 3.14Å; A279-Q281 PolarHBondContact O-N 3.31Å; Q281-V284 PolarHBondContact O-N 3.4Å; Q281-E285 PolarHBondContact O-N 2.92Å; Q281-E285 VanDerWaalsContact O-N 3.11Å; Q281-L455 HydrophobicContact CG-CD2 3.74Å
282Y97.9Very high97.1Very high96 Ų9639.9 Ų39.938%0.37620%0.199SC..Hα-helixtrans-66.9-37.9172.7-71.4-75.8000112.7T236 Q238 H278 A279 I280 E285 F286T236-Y282 WeakPolarHBondContact O-CB 3.28Å; Q238-Y282 HydrophobicContact CB-CD2 4.14Å; Q238-Y282 HydrophobicContact CB-CE2 3.95Å; Q238-Y282 HydrophobicContact CG-CD2 4.49Å; Q238-Y282 HydrophobicContact CG-CE2 3.89Å; H278-Y282 WeakPolarHBondContact O-CD2 3.39Å; H278-Y282 PolarHBondContact O-N 3.31Å; A279-Y282 WeakPolarHBondContact O-CB 3.31Å; A279-Y282 PolarHBondContact O-N 2.93Å; I280-Y282 PolarHBondContact O-N 2.78Å; Y282-E285 PolarHBondContact O-N 3.38Å; Y282-F286 WeakPolarHBondContact O-CB 3.35Å; Y282-F286 PolarHBondContact O-N 3.13Å
283V98.1Very high97.2Very high1 Ų139.2 Ų39.21%0.00620%0.195CC..Hα-helixtrans-66-38.8174.2177.50000112.2A279 I280 E285 F286 A287 C309 V312 V313A279-V283 PolarHBondContact O-N 3.38Å; A279-V283 VanDerWaalsContact O-N 3.13Å; I280-V283 PolarHBondContact O-N 3.06Å; V283-E285 VanDerWaalsContact C-N 3.33Å; V283-E285 PolarHBondContact O-N 3.15Å; V283-F286 WeakPolarHBondContact O-CB 3.44Å; V283-F286 PolarHBondContact O-N 2.98Å; V283-A287 WeakPolarHBondContact O-CB 3.45Å; V283-A287 PolarHBondContact O-N 3.11Å; V283-C309 HydrophobicContact CG1-CB 4.48Å; V283-V312 HydrophobicContact CB-CG1 4.41Å; V283-V312 HydrophobicContact CG1-CB 3.86Å; V283-V312 HydrophobicContact CG1-CG1 3.82Å; V283-V312 HydrophobicContact CG1-CG2 4.29Å; V283-V312 HydrophobicContact CG2-CB 4.12Å; V283-V312 HydrophobicContact CG2-CG1 3.67Å; V283-V313 HydrophobicContact CG2-CG2 3.97Å
284V97.8Very high97.2Very high28 Ų2844.1 Ų44.117%0.1722%0.219CC..Hα-helixtrans-65.6-36.8175.5171.20000111.3I280 Q281 K288 L305I280-V284 HydrophobicContact CG2-CG2 4.25Å; I280-V284 WeakPolarHBondContact O-CG2 3.44Å; I280-V284 PolarHBondContact O-N 3.14Å; Q281-V284 PolarHBondContact O-N 3.4Å; V284-K288 VanDerWaalsContact O-CG 3.32Å; V284-K288 WeakPolarHBondContact O-CG 3.28Å; V284-K288 PolarHBondContact O-N 2.83Å; V284-L305 HydrophobicContact CG1-CD1 4.48Å; V284-L305 HydrophobicContact CG2-CD2 4.1Å
285E98Very high97.2Very high71 Ų7148.3 Ų48.333%0.33224%0.237SC..Hα-helixtrans-73-36.5174.5-175.660-165.800112.2T236 Q281 Y282 V283 R289T236-E285 HydrophobicContact CG2-CB 4.15Å; T236-E285 HydrophobicContact CG2-CG 3.83Å; Q281-E285 PolarHBondContact O-N 2.92Å; Q281-E285 VanDerWaalsContact O-N 3.11Å; Y282-E285 PolarHBondContact O-N 3.38Å; V283-E285 VanDerWaalsContact C-N 3.33Å; V283-E285 PolarHBondContact O-N 3.15Å; E285-R289 WeakPolarHBondContact O-CG 3.44Å; E285-R289 IonicContact OE1-CZ 3.73Å; E285-R289 VanDerWaalsContact OE1-CZ 3.29Å; E285-R289 IonicContact OE1-NE 3.68Å; E285-R289 PolarHBondContact OE1-NE 3.18Å; E285-R289 IonicContact OE1-NH2 2.68Å; E285-R289 PolarHBondContact OE1-NH2 3.19Å
286F98.7Very high97.2Very high0 Ų046.3 Ų46.30%023%0.228CC..Hα-helixtrans-57.1-52.1171.8173.3-122.2000111.2I229 H233 T236 Y282 V283 K288 R289 I290 R316 A374I229-F286 HydrophobicContact CG2-CE2 4.22Å; I229-F286 HydrophobicContact CG2-CZ 4.06Å; H233-F286 HydrophobicContact CB-CD2 4.33Å; H233-F286 HydrophobicContact CB-CE2 3.83Å; T236-F286 HydrophobicContact CG2-CB 4.39Å; T236-F286 WeakPolarHBondContact OG1-CB 3.31Å; Y282-F286 WeakPolarHBondContact O-CB 3.35Å; Y282-F286 PolarHBondContact O-N 3.13Å; V283-F286 WeakPolarHBondContact O-CB 3.44Å; V283-F286 PolarHBondContact O-N 2.98Å; F286-K288 VanDerWaalsContact C-N 3.33Å; F286-K288 PolarHBondContact O-N 2.78Å; F286-R289 PolarHBondContact O-N 2.97Å; F286-I290 HydrophobicContact CD1-CD1 4.27Å; F286-I290 HydrophobicContact CE1-CD1 3.9Å; F286-I290 HydrophobicContact CE2-CG1 4.45Å; F286-I290 HydrophobicContact CZ-CD1 4.07Å; F286-I290 HydrophobicContact CZ-CG1 4.41Å; F286-I290 PolarHBondContact O-N 3.17Å; F286-R316 VanDerWaalsContact CD1-NH2 3.34Å; F286-A374 HydrophobicContact CE1-CB 4.4Å; F286-A374 HydrophobicContact CZ-CB 4.11Å
287A98.4Very high97.2Very high0 Ų046.4 Ų46.40%023%0.231CC..Hα-helixtrans-52.4-48.4-179.100000112.4V283 R289 I290 F293 L305 L377V283-A287 WeakPolarHBondContact O-CB 3.45Å; V283-A287 PolarHBondContact O-N 3.11Å; A287-R289 PolarHBondContact O-N 2.85Å; A287-R289 VanDerWaalsContact O-N 3.15Å; A287-I290 WeakPolarHBondContact O-CB 3.45Å; A287-I290 PolarHBondContact O-N 3.24Å; A287-I290 VanDerWaalsContact O-N 3.15Å; A287-F293 HydrophobicContact CB-CD1 4.16Å; A287-F293 HydrophobicContact CB-CE1 3.89Å; A287-F293 HydrophobicContact CB-CE2 4.42Å; A287-F293 HydrophobicContact CB-CZ 4.02Å; A287-F293 VanDerWaalsContact O-CB 3.25Å; A287-F293 WeakPolarHBondContact O-CB 3.46Å; A287-F293 VanDerWaalsContact O-CD1 3.27Å; A287-F293 WeakPolarHBondContact O-CD1 3.39Å; A287-F293 VanDerWaalsContact O-CG 3.3Å; A287-F293 WeakPolarHBondContact O-CG 3.39Å; A287-L305 HydrophobicContact CB-CD2 3.71Å; A287-L377 HydrophobicContact CB-CD2 3.58Å
288K98Very high97.2Very high99 Ų9952.8 Ų52.843%0.4326%0.261SS..Hα-helixtrans-62.4-21.5-179.9-66.5168.4-169.91660114.2V284 F286 M294V284-K288 VanDerWaalsContact O-CG 3.32Å; V284-K288 WeakPolarHBondContact O-CG 3.28Å; V284-K288 PolarHBondContact O-N 2.83Å; F286-K288 VanDerWaalsContact C-N 3.33Å; F286-K288 PolarHBondContact O-N 2.78Å; K288-M294 HydrophobicContact CB-CG 4.48Å; K288-M294 HydrophobicContact CB-SD 3.97Å; K288-M294 HydrophobicContact CG-SD 3.78Å; K288-M294 WeakPolarHBondContact O-CG 3.29Å
289R98.2Very high97.2Very high92 Ų9254.1 Ų54.135%0.34727%0.271SS..Hα-helixtrans-93.6-13.9-179.5-64.5176.3-178-137.92113.2N228 S232 E235 E285 F286 A287 S291N228-R289 PolarHBondContact ND2-O 3.33Å; N228-R289 PolarHBondContact OD1-O 2.85Å; S232-R289 WeakPolarHBondContact OG-CB 3.47Å; S232-R289 PolarHBondContact OG-O 3.43Å; E235-R289 IonicContact OE2-CZ 2.75Å; E235-R289 IonicContact OE2-NH1 2.9Å; E235-R289 PolarHBondContact OE2-NH1 3.17Å; E285-R289 WeakPolarHBondContact O-CG 3.44Å; E285-R289 IonicContact OE1-CZ 3.73Å; E285-R289 VanDerWaalsContact OE1-CZ 3.29Å; E285-R289 IonicContact OE1-NE 3.68Å; E285-R289 PolarHBondContact OE1-NE 3.18Å; E285-R289 IonicContact OE1-NH2 2.68Å; E285-R289 PolarHBondContact OE1-NH2 3.19Å; F286-R289 PolarHBondContact O-N 2.97Å; A287-R289 PolarHBondContact O-N 2.85Å; A287-R289 VanDerWaalsContact O-N 3.15Å; R289-S291 PolarHBondContact O-N 2.96Å
290I98.2Very high97.1Very high5 Ų553.1 Ų53.13%0.02626%0.262CS..SBendtrans-65.9121.3171-59.9172.8000108.6I229 F286 A287 G292 F293 A374 L377 I398I229-I290 HydrophobicContact CD1-CG2 4.49Å; I229-I290 HydrophobicContact CG1-CG1 4.49Å; I229-I290 HydrophobicContact CG1-CG2 4.3Å; F286-I290 HydrophobicContact CD1-CD1 4.27Å; F286-I290 HydrophobicContact CE1-CD1 3.9Å; F286-I290 HydrophobicContact CE2-CG1 4.45Å; F286-I290 HydrophobicContact CZ-CD1 4.07Å; F286-I290 HydrophobicContact CZ-CG1 4.41Å; F286-I290 PolarHBondContact O-N 3.17Å; A287-I290 WeakPolarHBondContact O-CB 3.45Å; A287-I290 PolarHBondContact O-N 3.24Å; A287-I290 VanDerWaalsContact O-N 3.15Å; I290-G292 PolarHBondContact O-N 3.43Å; I290-F293 HydrophobicContact CB-CB 4.18Å; I290-F293 WeakPolarHBondContact O-CB 3.27Å; I290-F293 PolarHBondContact O-N 3.26Å; I290-F293 VanDerWaalsContact O-N 3.07Å; I290-A374 HydrophobicContact CD1-CB 3.87Å; I290-L377 HydrophobicContact CD1-CD2 4.35Å; I290-I398 HydrophobicContact CG2-CD1 4.46Å
291S96Very high97.2Very high67 Ų6754.6 Ų54.647%0.46927%0.269SS..THydrogen-bonded Turntrans-57.5128.4177.4-62.40000110.4N228 R289 L394N228-S291 WeakPolarHBondContact OD1-CB 3.29Å; N228-S291 PolarHBondContact OD1-N 2.66Å; N228-S291 PolarHBondContact OD1-OG 3.04Å; R289-S291 PolarHBondContact O-N 2.96Å; S291-L394 VanDerWaalsContact O-CD1 3.29Å; S291-L394 WeakPolarHBondContact O-CD1 3.41Å
292G95.4Very high97Very high18 Ų1853.3 Ų53.319%0.18627%0.265CS..THydrogen-bonded Turntrans90.1-19.5-175.800000115.5I290 E295I290-G292 PolarHBondContact O-N 3.43Å; G292-E295 WeakPolarHBondContact O-CB 3.33Å; G292-E295 PolarHBondContact O-N 3.16Å
293F97.9Very high96.9Very high1 Ų150.8 Ų50.80%0.00426%0.258CS..G310 helixtrans-64.1-47.1179.6-178.3-98.5000112.2A287 I290 E295 L296 Q301 L304 L305 I378A287-F293 HydrophobicContact CB-CD1 4.16Å; A287-F293 HydrophobicContact CB-CE1 3.89Å; A287-F293 HydrophobicContact CB-CE2 4.42Å; A287-F293 HydrophobicContact CB-CZ 4.02Å; A287-F293 VanDerWaalsContact O-CB 3.25Å; A287-F293 WeakPolarHBondContact O-CB 3.46Å; A287-F293 VanDerWaalsContact O-CD1 3.27Å; A287-F293 WeakPolarHBondContact O-CD1 3.39Å; A287-F293 VanDerWaalsContact O-CG 3.3Å; A287-F293 WeakPolarHBondContact O-CG 3.39Å; I290-F293 HydrophobicContact CB-CB 4.18Å; I290-F293 WeakPolarHBondContact O-CB 3.27Å; I290-F293 PolarHBondContact O-N 3.26Å; I290-F293 VanDerWaalsContact O-N 3.07Å; F293-E295 PolarHBondContact O-N 3.42Å; F293-E295 VanDerWaalsContact O-N 3.14Å; F293-L296 HydrophobicContact CD2-CD1 4.11Å; F293-L296 HydrophobicContact CE2-CD1 4.47Å; F293-L296 WeakPolarHBondContact O-CB 3.25Å; F293-L296 WeakPolarHBondContact O-CG 3.3Å; F293-L296 PolarHBondContact O-N 3.14Å; F293-L296 VanDerWaalsContact O-N 3.17Å; F293-Q301 HydrophobicContact CD1-CG 4.37Å; F293-Q301 HydrophobicContact CE1-CB 4.01Å; F293-Q301 HydrophobicContact CE1-CG 3.88Å; F293-Q301 HydrophobicContact CE2-CG 4.49Å; F293-Q301 HydrophobicContact CZ-CB 3.81Å; F293-Q301 HydrophobicContact CZ-CG 3.96Å; F293-Q301 PolarHBondContact O-NE2 3.15Å; F293-L304 HydrophobicContact CE2-CB 4.41Å; F293-L304 HydrophobicContact CE2-CD1 4.13Å; F293-L305 HydrophobicContact CZ-CD1 4.22Å; F293-L305 HydrophobicContact CZ-CG 4.07Å; F293-I378 HydrophobicContact CD2-CD1 3.53Å; F293-I378 HydrophobicContact CE2-CD1 3.93Å
294M97.3Very high96.8Very high104 Ų10450.8 Ų50.851%0.51226%0.257SS..G310 helixtrans-68.7-8.4178-66.1-57.8-54.400113.9K288 Q301K288-M294 HydrophobicContact CB-CG 4.48Å; K288-M294 HydrophobicContact CB-SD 3.97Å; K288-M294 HydrophobicContact CG-SD 3.78Å; K288-M294 WeakPolarHBondContact O-CG 3.29Å; M294-Q301 PolarHBondContact O-NE2 2.76Å
295E96.8Very high96.7Very high142 Ų14250.6 Ų50.666%0.66426%0.255SS*.G310 helixtrans-88.9-17.2176.2-60172.5-15500112.3G292 F293 K390G292-E295 WeakPolarHBondContact O-CB 3.33Å; G292-E295 PolarHBondContact O-N 3.16Å; F293-E295 PolarHBondContact O-N 3.42Å; F293-E295 VanDerWaalsContact O-N 3.14Å; E295-K390 VanDerWaalsContact O-CE 3.24Å; E295-K390 WeakPolarHBondContact O-CE 3.43Å; E295-K390 PolarHBondContact O-NZ 2.82Å
296L96.6Very high96.4Very high8 Ų851.4 Ų51.44%0.04226%0.258CS..SBendtrans-65.1154.7171.6-58.3177.6000110.9F293 D300 Q301 L304 K390 V391 L394F293-L296 HydrophobicContact CD2-CD1 4.11Å; F293-L296 HydrophobicContact CE2-CD1 4.47Å; F293-L296 WeakPolarHBondContact O-CB 3.25Å; F293-L296 WeakPolarHBondContact O-CG 3.3Å; F293-L296 PolarHBondContact O-N 3.14Å; F293-L296 VanDerWaalsContact O-N 3.17Å; L296-D300 HydrophobicContact CB-CB 4.49Å; L296-Q301 HydrophobicContact CB-CG 4.04Å; L296-Q301 PolarHBondContact O-NE2 3.47Å; L296-L304 HydrophobicContact CD1-CD1 3.77Å; L296-K390 HydrophobicContact CD2-CB 4.32Å; L296-K390 HydrophobicContact CD2-CD 3.97Å; L296-K390 HydrophobicContact CD2-CG 3.8Å; L296-V391 HydrophobicContact CD1-CG2 4.1Å; L296-V391 HydrophobicContact CD2-CG2 3.98Å; L296-L394 HydrophobicContact CD1-CD2 4.26Å
297C96.2Very high96Very high39 Ų3953 Ų5326%0.26427%0.268SS..  trans-61.7152.8172.886.20000111.9N299 D300 Q301 E387C297-N299 PolarHBondContact O-N 3.38Å; C297-D300 PolarHBondContact O-N 3.23Å; C297-D300 VanDerWaalsContact O-N 3.15Å; C297-D300 PolarHBondContact SG-N 3.08Å; C297-D300 PolarHBondContact SG-OD2 3.43Å; C297-Q301 PolarHBondContact O-N 2.74Å; C297-E387 PolarHBondContact N-OE2 2.99Å
298Q95.9Very high95.9Very high141 Ų14153 Ų5366%0.65927%0.268SS*.Hα-helixtrans-60.7-33-175.1-172.3177.39.800112.9Q301 I302Q298-Q301 PolarHBondContact O-N 3.35Å; Q298-I302 HydrophobicContact CG-CD1 3.93Å; Q298-I302 HydrophobicContact CG-CG1 4.49Å; Q298-I302 VanDerWaalsContact O-CG1 3.28Å; Q298-I302 WeakPolarHBondContact O-CG1 3.46Å; Q298-I302 PolarHBondContact O-N 3.45Å
299N94.8Very high95.8Very high102 Ų10248.3 Ų48.355%0.54525%0.248SC..Hα-helixtrans-63.6-46.4177.2-68.3-1.5000111C297 I302 L303 M386C297-N299 PolarHBondContact O-N 3.38Å; N299-I302 PolarHBondContact O-N 3.16Å; N299-L303 VanDerWaalsContact O-CB 3.32Å; N299-L303 WeakPolarHBondContact O-CB 3.35Å; N299-L303 PolarHBondContact O-N 3.29Å; N299-M386 HydrophobicContact CB-CG 4.1Å
300D96.3Very high95.8Very high0 Ų044.4 Ų44.40%024%0.235CC..Hα-helixtrans-66.7-40178.9-63.9-19.6000111.3L296 C297 I302 L303 L304 L385 M386 E387L296-D300 HydrophobicContact CB-CB 4.49Å; C297-D300 PolarHBondContact O-N 3.23Å; C297-D300 VanDerWaalsContact O-N 3.15Å; C297-D300 PolarHBondContact SG-N 3.08Å; C297-D300 PolarHBondContact SG-OD2 3.43Å; D300-I302 VanDerWaalsContact C-N 3.34Å; D300-I302 PolarHBondContact O-N 3.2Å; D300-L303 PolarHBondContact O-N 3.08Å; D300-L304 WeakPolarHBondContact O-CB 3.02Å; D300-L304 VanDerWaalsContact O-CG 3.23Å; D300-L304 WeakPolarHBondContact O-CG 3.47Å; D300-L304 PolarHBondContact O-N 2.76Å; D300-L385 HydrophobicContact CB-CD2 3.98Å; D300-L385 WeakPolarHBondContact OD1-CA 3.27Å; D300-M386 PolarHBondContact OD1-N 3.1Å; D300-E387 WeakPolarHBondContact OD2-CB 3.37Å; D300-E387 PolarHBondContact OD2-N 3.26Å
301Q97Very high95.7Very high32 Ų3244.3 Ų44.315%0.1523%0.234CC..Hα-helixtrans-58.3-44.8173.4-67.1-179.732.200111.8F293 M294 L296 C297 Q298 L305F293-Q301 HydrophobicContact CD1-CG 4.37Å; F293-Q301 HydrophobicContact CE1-CB 4.01Å; F293-Q301 HydrophobicContact CE1-CG 3.88Å; F293-Q301 HydrophobicContact CE2-CG 4.49Å; F293-Q301 HydrophobicContact CZ-CB 3.81Å; F293-Q301 HydrophobicContact CZ-CG 3.96Å; F293-Q301 PolarHBondContact O-NE2 3.15Å; M294-Q301 PolarHBondContact O-NE2 2.76Å; L296-Q301 HydrophobicContact CB-CG 4.04Å; L296-Q301 PolarHBondContact O-NE2 3.47Å; C297-Q301 PolarHBondContact O-N 2.74Å; Q298-Q301 PolarHBondContact O-N 3.35Å; Q301-L305 WeakPolarHBondContact O-CB 3.49Å; Q301-L305 WeakPolarHBondContact O-CD1 3.24Å; Q301-L305 VanDerWaalsContact O-CG 3.25Å; Q301-L305 WeakPolarHBondContact O-CG 3.36Å; Q301-L305 PolarHBondContact O-N 2.9Å
302I94.3Very high95.8Very high73 Ų7341.1 Ų41.137%0.37421%0.212SC..Hα-helixtrans-67.3-42.8178.2-69.6167.2000110.8Q298 N299 D300 L305 K306Q298-I302 HydrophobicContact CG-CD1 3.93Å; Q298-I302 HydrophobicContact CG-CG1 4.49Å; Q298-I302 VanDerWaalsContact O-CG1 3.28Å; Q298-I302 WeakPolarHBondContact O-CG1 3.46Å; Q298-I302 PolarHBondContact O-N 3.45Å; N299-I302 PolarHBondContact O-N 3.16Å; D300-I302 VanDerWaalsContact C-N 3.34Å; D300-I302 PolarHBondContact O-N 3.2Å; I302-L305 PolarHBondContact O-N 2.89Å; I302-K306 HydrophobicContact CG2-CD 4.15Å; I302-K306 HydrophobicContact CG2-CG 4.34Å; I302-K306 WeakPolarHBondContact O-CB 3.39Å; I302-K306 WeakPolarHBondContact O-CG 3.33Å; I302-K306 PolarHBondContact O-N 2.9Å
303L94.5Very high96Very high44 Ų4441.3 Ų41.323%0.2321%0.209CC..Hα-helixtrans-63.5-49.9-178.6-176.562.4000111.5N299 D300 L305 K306 S307 R382 P383 W384 L385N299-L303 VanDerWaalsContact O-CB 3.32Å; N299-L303 WeakPolarHBondContact O-CB 3.35Å; N299-L303 PolarHBondContact O-N 3.29Å; D300-L303 PolarHBondContact O-N 3.08Å; L303-L305 VanDerWaalsContact C-N 3.33Å; L303-L305 PolarHBondContact O-N 2.92Å; L303-K306 PolarHBondContact O-N 2.89Å; L303-S307 PolarHBondContact O-N 3.46Å; L303-S307 PolarHBondContact O-OG 3.33Å; L303-S307 VanDerWaalsContact O-OG 3.1Å; L303-R382 HydrophobicContact CD2-CB 4.45Å; L303-P383 WeakPolarHBondContact CD2-O 3.34Å; L303-W384 HydrophobicContact CD2-CB 4.35Å; L303-L385 HydrophobicContact CD2-CD2 3.96Å; L303-L385 HydrophobicContact CD2-CG 4.08Å
304L96Very high96Very high0 Ų042 Ų420%021%0.213CC..Hα-helixtrans-59.5-41.6177.1-68.2171.8000111.9F293 L296 D300 S307 G308 I378 S379 R382 L385 V391F293-L304 HydrophobicContact CE2-CB 4.41Å; F293-L304 HydrophobicContact CE2-CD1 4.13Å; L296-L304 HydrophobicContact CD1-CD1 3.77Å; D300-L304 WeakPolarHBondContact O-CB 3.02Å; D300-L304 VanDerWaalsContact O-CG 3.23Å; D300-L304 WeakPolarHBondContact O-CG 3.47Å; D300-L304 PolarHBondContact O-N 2.76Å; L304-S307 PolarHBondContact O-OG 2.95Å; L304-G308 WeakPolarHBondContact O-CA 3.41Å; L304-G308 PolarHBondContact O-N 3.29Å; L304-I378 HydrophobicContact CD1-CD1 4.22Å; L304-S379 VanDerWaalsContact CD2-O 3.26Å; L304-S379 WeakPolarHBondContact CD2-O 3.38Å; L304-R382 HydrophobicContact CD2-CG 4.46Å; L304-L385 HydrophobicContact CD2-CD2 4.41Å; L304-L385 HydrophobicContact CG-CD2 4.45Å; L304-V391 HydrophobicContact CD1-CG1 4.21Å; L304-V391 HydrophobicContact CD1-CG2 4.31Å; L304-V391 HydrophobicContact CD2-CG1 4.23Å
305L96Very high96Very high24 Ų2437.1 Ų37.113%0.12619%0.189CC..Hα-helixtrans-66.1-44.5174.7-72.6170.6000112V284 A287 F293 Q301 I302 L303 S307 C309 L377V284-L305 HydrophobicContact CG1-CD1 4.48Å; V284-L305 HydrophobicContact CG2-CD2 4.1Å; A287-L305 HydrophobicContact CB-CD2 3.71Å; F293-L305 HydrophobicContact CZ-CD1 4.22Å; F293-L305 HydrophobicContact CZ-CG 4.07Å; Q301-L305 WeakPolarHBondContact O-CB 3.49Å; Q301-L305 WeakPolarHBondContact O-CD1 3.24Å; Q301-L305 VanDerWaalsContact O-CG 3.25Å; Q301-L305 WeakPolarHBondContact O-CG 3.36Å; Q301-L305 PolarHBondContact O-N 2.9Å; I302-L305 PolarHBondContact O-N 2.89Å; L303-L305 VanDerWaalsContact C-N 3.33Å; L303-L305 PolarHBondContact O-N 2.92Å; L305-S307 VanDerWaalsContact C-N 3.34Å; L305-S307 PolarHBondContact O-N 3.18Å; L305-C309 WeakPolarHBondContact O-CB 3.19Å; L305-C309 PolarHBondContact O-N 3.33Å; L305-C309 VanDerWaalsContact O-N 3.09Å; L305-C309 PolarHBondContact O-SG 3.14Å; L305-L377 HydrophobicContact CD2-CD1 4.39Å
306K92.3Very high96Very high89 Ų8931.7 Ų31.739%0.38716%0.162SC..Hα-helixtrans-59.4-42.3178.8-83.3-169.1177.4-136.60112.6I302 L303 E458 L459I302-K306 HydrophobicContact CG2-CD 4.15Å; I302-K306 HydrophobicContact CG2-CG 4.34Å; I302-K306 WeakPolarHBondContact O-CB 3.39Å; I302-K306 WeakPolarHBondContact O-CG 3.33Å; I302-K306 PolarHBondContact O-N 2.9Å; L303-K306 PolarHBondContact O-N 2.89Å; K306-E458 WeakPolarHBondContact CE-O 3.27Å; K306-E458 PolarHBondContact NZ-O 3.3Å; K306-L459 HydrophobicContact CG-CD2 3.84Å
307S90.8Very high95.9Very high32 Ų3232.9 Ų32.922%0.22417%0.168CC..Hα-helixtrans-85.9-36-178.860.20000114.3L303 L304 L305 R382L303-S307 PolarHBondContact O-N 3.46Å; L303-S307 PolarHBondContact O-OG 3.33Å; L303-S307 VanDerWaalsContact O-OG 3.1Å; L304-S307 PolarHBondContact O-OG 2.95Å; L305-S307 VanDerWaalsContact C-N 3.34Å; L305-S307 PolarHBondContact O-N 3.18Å; S307-R382 VanDerWaalsContact OG-CD 3.32Å; S307-R382 WeakPolarHBondContact OG-CD 3.45Å; S307-R382 PolarHBondContact OG-NE 3.39Å
308G95.3Very high95.9Very high0 Ų031.6 Ų31.60%016%0.159CC..Hα-helixtrans-96.6-16.2-170.100000115.6L304 L310 E311 V312L304-G308 WeakPolarHBondContact O-CA 3.41Å; L304-G308 PolarHBondContact O-N 3.29Å; G308-L310 PolarHBondContact O-N 2.68Å; G308-E311 PolarHBondContact O-N 3.34Å; G308-V312 WeakPolarHBondContact O-CG2 3.43Å; G308-V312 PolarHBondContact O-N 3.25Å
309C96.6Very high95.8Very high1 Ų126.7 Ų26.71%0.00713%0.134CC..Hα-helixtrans-60.2-40.2-174.1-91.10000113.8I280 V283 L305 V313I280-C309 HydrophobicContact CG1-CB 4.28Å; I280-C309 HydrophobicContact CG2-CB 4.29Å; V283-C309 HydrophobicContact CG1-CB 4.48Å; L305-C309 WeakPolarHBondContact O-CB 3.19Å; L305-C309 PolarHBondContact O-N 3.33Å; L305-C309 VanDerWaalsContact O-N 3.09Å; L305-C309 PolarHBondContact O-SG 3.14Å; C309-V313 WeakPolarHBondContact O-CG2 3.23Å; C309-V313 PolarHBondContact O-N 3.22Å; C309-V313 VanDerWaalsContact O-N 3.1Å
310L97.2Very high95.9Very high11 Ų1122.7 Ų22.76%0.05812%0.116CC..Hα-helixtrans-71-40.1178.3-175.558.1000112I276 G308 V312 V313 L314 C430 H433 F460I276-L310 HydrophobicContact CG2-CD1 4.47Å; G308-L310 PolarHBondContact O-N 2.68Å; L310-V312 VanDerWaalsContact C-N 3.31Å; L310-V312 PolarHBondContact O-N 2.99Å; L310-V313 PolarHBondContact O-N 2.76Å; L310-V313 VanDerWaalsContact O-N 3.12Å; L310-L314 HydrophobicContact CG-CD1 4.29Å; L310-L314 WeakPolarHBondContact O-CG 3.45Å; L310-L314 PolarHBondContact O-N 2.8Å; L310-C430 HydrophobicContact CD2-CB 4.16Å; L310-H433 HydrophobicContact CD2-CB 3.94Å; L310-F460 HydrophobicContact CB-CE1 3.86Å; L310-F460 HydrophobicContact CB-CZ 3.92Å; L310-F460 HydrophobicContact CD1-CZ 4.44Å; L310-F460 HydrophobicContact CD2-CE1 3.99Å; L310-F460 HydrophobicContact CD2-CZ 4.32Å; L310-F460 HydrophobicContact CG-CE1 4.46Å; L310-F460 HydrophobicContact CG-CZ 4.46Å
311E97.6Very high95.8Very high3 Ų323.2 Ų23.21%0.01412%0.118CC..Hα-helixtrans-58.7-43.8176.2-59.7172.4176.400110.6G308 L314 V315 V376 R382 L426 S427 C430G308-E311 PolarHBondContact O-N 3.34Å; E311-L314 PolarHBondContact O-N 3.34Å; E311-V315 WeakPolarHBondContact O-CG2 3.47Å; E311-V315 PolarHBondContact O-N 3.04Å; E311-V376 HydrophobicContact CB-CG1 3.54Å; E311-V376 WeakPolarHBondContact OE2-CG1 3.33Å; E311-R382 IonicContact OE1-CZ 2.89Å; E311-R382 IonicContact OE1-NH1 3.47Å; E311-R382 PolarHBondContact OE1-NH1 3.49Å; E311-R382 IonicContact OE1-NH2 3.82Å; E311-R382 PolarHBondContact OE1-NH2 2.77Å; E311-R382 IonicContact OE2-CZ 2.66Å; E311-R382 IonicContact OE2-NH2 2.67Å; E311-R382 PolarHBondContact OE2-NH2 3.39Å; E311-L426 HydrophobicContact CB-CB 4.44Å; E311-L426 HydrophobicContact CG-CB 4.35Å; E311-S427 PolarHBondContact OE1-OG 2.99Å; E311-C430 WeakPolarHBondContact CG-SG 3.41Å
312V98.3Very high95.7Very high0 Ų023 Ų230%012%0.118CC..Hα-helixtrans-67-35.5175.3179.50000112.5V283 G308 L310 V315 R316 S373 V376 L377V283-V312 HydrophobicContact CB-CG1 4.41Å; V283-V312 HydrophobicContact CG1-CB 3.86Å; V283-V312 HydrophobicContact CG1-CG1 3.82Å; V283-V312 HydrophobicContact CG1-CG2 4.29Å; V283-V312 HydrophobicContact CG2-CB 4.12Å; V283-V312 HydrophobicContact CG2-CG1 3.67Å; G308-V312 WeakPolarHBondContact O-CG2 3.43Å; G308-V312 PolarHBondContact O-N 3.25Å; L310-V312 VanDerWaalsContact C-N 3.31Å; L310-V312 PolarHBondContact O-N 2.99Å; V312-V315 PolarHBondContact O-N 3.15Å; V312-R316 HydrophobicContact CG1-CG 4.29Å; V312-R316 WeakPolarHBondContact O-CB 3.33Å; V312-R316 VanDerWaalsContact O-CG 3.32Å; V312-R316 WeakPolarHBondContact O-CG 3.47Å; V312-R316 PolarHBondContact O-N 3.04Å; V312-S373 WeakPolarHBondContact CG2-O 3.38Å; V312-V376 HydrophobicContact CG2-CG1 4.39Å; V312-L377 HydrophobicContact CG2-CB 3.85Å; V312-L377 HydrophobicContact CG2-CD1 4.24Å
313V98Very high95.6Very high22 Ų2222.7 Ų22.713%0.13312%0.12CC..Hα-helixtrans-63.6-43.3173.41680000110.7A279 I280 V283 C309 L310 R316 M317A279-V313 HydrophobicContact CB-CG1 4.04Å; A279-V313 HydrophobicContact CB-CG2 3.78Å; I280-V313 HydrophobicContact CG1-CG2 3.97Å; V283-V313 HydrophobicContact CG2-CG2 3.97Å; C309-V313 WeakPolarHBondContact O-CG2 3.23Å; C309-V313 PolarHBondContact O-N 3.22Å; C309-V313 VanDerWaalsContact O-N 3.1Å; L310-V313 PolarHBondContact O-N 2.76Å; L310-V313 VanDerWaalsContact O-N 3.12Å; V313-R316 PolarHBondContact O-N 3.35Å; V313-M317 WeakPolarHBondContact O-CB 3.46Å; V313-M317 PolarHBondContact O-N 3.29Å
314L98Very high95.4Very high16 Ų1628.5 Ų28.58%0.08415%0.151CC..Hα-helixtrans-65.7-39.1176.5-69.3171000112.4L310 E311 M317 V352 F355 L426 L429L310-L314 HydrophobicContact CG-CD1 4.29Å; L310-L314 WeakPolarHBondContact O-CG 3.45Å; L310-L314 PolarHBondContact O-N 2.8Å; E311-L314 PolarHBondContact O-N 3.34Å; L314-M317 WeakPolarHBondContact O-CB 3.46Å; L314-M317 PolarHBondContact O-N 2.87Å; L314-V352 HydrophobicContact CD2-CG1 4.02Å; L314-V352 HydrophobicContact CD2-CG2 3.93Å; L314-F355 HydrophobicContact CB-CE1 4.35Å; L314-L426 HydrophobicContact CB-CD2 3.6Å; L314-L426 HydrophobicContact CD1-CD2 4.23Å; L314-L429 HydrophobicContact CD1-CB 3.83Å; L314-L429 HydrophobicContact CD1-CD1 4.11Å
315V98.3Very high95.1Very high0 Ų032 Ų320%017%0.17CC..Hα-helixtrans-60-52.8170.4168.70000110.5E311 V312 M317 C318 L359 I369 F372 V376 L426E311-V315 WeakPolarHBondContact O-CG2 3.47Å; E311-V315 PolarHBondContact O-N 3.04Å; V312-V315 PolarHBondContact O-N 3.15Å; V315-M317 PolarHBondContact O-N 3Å; V315-C318 PolarHBondContact O-N 3.42Å; V315-C318 PolarHBondContact O-SG 3.28Å; V315-L359 HydrophobicContact CB-CD2 4.47Å; V315-L359 HydrophobicContact CG1-CD2 4.31Å; V315-I369 HydrophobicContact CG1-CG2 4.38Å; V315-F372 HydrophobicContact CG1-CD1 3.86Å; V315-F372 HydrophobicContact CG1-CE1 4.4Å; V315-F372 HydrophobicContact CG2-CD1 3.99Å; V315-F372 HydrophobicContact CG2-CE1 3.75Å; V315-V376 HydrophobicContact CG2-CG2 4.49Å; V315-L426 HydrophobicContact CG2-CD1 3.57Å; V315-L426 HydrophobicContact CG2-CD2 4.1Å; V315-L426 HydrophobicContact CG2-CG 4.47Å
316R96.9Very high95Very high28 Ų2832.8 Ų32.811%0.10617%0.174CC..Hα-helixtrans-66.9-21.2-177.4-71.6178.4173.3-149.8-5.7113.5H233 T236 F286 V312 V313 C318 R319H233-R316 PolarHBondContact CE1-NE 3.13Å; H233-R316 PolarHBondContact CE1-NH2 3.48Å; H233-R316 PolarHBondContact ND1-NH2 2.9Å; H233-R316 WeakPolarHBondContact NE2-CG 3.46Å; T236-R316 PolarHBondContact O-NH1 3.1Å; T236-R316 PolarHBondContact OG1-NH2 3.42Å; F286-R316 VanDerWaalsContact CD1-NH2 3.34Å; V312-R316 HydrophobicContact CG1-CG 4.29Å; V312-R316 WeakPolarHBondContact O-CB 3.33Å; V312-R316 VanDerWaalsContact O-CG 3.32Å; V312-R316 WeakPolarHBondContact O-CG 3.47Å; V312-R316 PolarHBondContact O-N 3.04Å; V313-R316 PolarHBondContact O-N 3.35Å; R316-C318 PolarHBondContact O-N 3.1Å; R316-R319 WeakPolarHBondContact O-CB 3.43Å; R316-R319 PolarHBondContact O-N 3.42Å
317M94.6Very high95.2Very high34 Ų3429.2 Ų29.217%0.16716%0.16CC..Hα-helixtrans-58.6-27.4174179.2175.8151.200112.5V313 L314 V315 R319 A320 F321 V328 V352 A356V313-M317 WeakPolarHBondContact O-CB 3.46Å; V313-M317 PolarHBondContact O-N 3.29Å; L314-M317 WeakPolarHBondContact O-CB 3.46Å; L314-M317 PolarHBondContact O-N 2.87Å; V315-M317 PolarHBondContact O-N 3Å; M317-R319 PolarHBondContact O-N 3.09Å; M317-A320 CarbonylContact O-C 3.25Å; M317-A320 WeakPolarHBondContact O-CA 3.37Å; M317-A320 PolarHBondContact O-N 2.9Å; M317-F321 HydrophobicContact CE-CD2 4.36Å; M317-F321 PolarHBondContact O-N 3.33Å; M317-F321 VanDerWaalsContact O-N 3.14Å; M317-V328 HydrophobicContact CE-CB 3.98Å; M317-V328 HydrophobicContact CE-CG1 4.43Å; M317-V328 HydrophobicContact CE-CG2 3.6Å; M317-V328 HydrophobicContact CG-CG2 3.86Å; M317-V328 HydrophobicContact SD-CG2 4.17Å; M317-V352 HydrophobicContact CE-CG1 3.61Å; M317-V352 HydrophobicContact SD-CG1 3.61Å; M317-A356 HydrophobicContact CE-CB 3.96Å
318C94.9Very high95.4Very high11 Ų1128.2 Ų28.27%0.07415%0.152CC..G310 helixtrans-62.2-29.7178.677.50000113.2V315 R316 A320 F321 L359 C360V315-C318 PolarHBondContact O-N 3.42Å; V315-C318 PolarHBondContact O-SG 3.28Å; R316-C318 PolarHBondContact O-N 3.1Å; C318-A320 PolarHBondContact O-N 2.95Å; C318-F321 PolarHBondContact O-N 2.91Å; C318-L359 HydrophobicContact CB-CB 4.21Å; C318-L359 HydrophobicContact CB-CD2 3.92Å; C318-L359 HydrophobicContact CB-CG 4.1Å; C318-C360 PolarHBondContact O-SG 3.25Å
319R95.3Very high95.5Very high38 Ų3829.1 Ų29.114%0.14316%0.157CC..G310 helixtrans-62.9-34.3172.8-58.4174.472.2-108.95.5111.7H233 Y239 L244 R316 M317 E366 I369H233-R319 WeakPolarHBondContact NE2-CD 3.24Å; Y239-R319 PolarHBondContact O-NH1 3.25Å; Y239-R319 PolarHBondContact O-NH2 3.48Å; L244-R319 HydrophobicContact CD1-CB 4.15Å; R316-R319 WeakPolarHBondContact O-CB 3.43Å; R316-R319 PolarHBondContact O-N 3.42Å; M317-R319 PolarHBondContact O-N 3.09Å; R319-E366 WeakPolarHBondContact CD-OE1 3.43Å; R319-E366 IonicContact CZ-OE1 3.29Å; R319-E366 IonicContact CZ-OE2 3.6Å; R319-E366 VanDerWaalsContact CZ-OE2 3.23Å; R319-E366 VanDerWaalsContact NE-CD 3.27Å; R319-E366 IonicContact NE-OE1 3.23Å; R319-E366 PolarHBondContact NE-OE1 2.89Å; R319-E366 IonicContact NE-OE2 2.74Å; R319-E366 PolarHBondContact NE-OE2 3.34Å; R319-E366 IonicContact NH2-OE1 3.98Å; R319-E366 IonicContact NH2-OE2 2.76Å; R319-E366 PolarHBondContact NH2-OE2 3.04Å; R319-I369 HydrophobicContact CG-CD1 3.97Å; R319-I369 HydrophobicContact CG-CG2 4.37Å
320A94.9Very high95.4Very high19 Ų1930.1 Ų30.116%0.15716%0.161CC..G310 helixtrans-98.713.1-176.100000112.7L244 M317 C318 V328 L329 Y334L244-A320 HydrophobicContact CD2-CB 4.45Å; M317-A320 CarbonylContact O-C 3.25Å; M317-A320 WeakPolarHBondContact O-CA 3.37Å; M317-A320 PolarHBondContact O-N 2.9Å; C318-A320 PolarHBondContact O-N 2.95Å; A320-V328 WeakPolarHBondContact O-CA 3.42Å; A320-L329 HydrophobicContact CB-CB 4.07Å; A320-L329 PolarHBondContact O-N 3.09Å; A320-Y334 VanDerWaalsContact O-CE1 3.25Å; A320-Y334 WeakPolarHBondContact O-CE1 3.48Å
321F96.1Very high95.1Very high11 Ų1133.8 Ų33.85%0.04818%0.178CC..EExtended strand (participates in β ladder)trans-110.9136.5-179.5-175.2-99.9000110.8M317 C318 P323 T327 V328 F353 A356 K357M317-F321 HydrophobicContact CE-CD2 4.36Å; M317-F321 PolarHBondContact O-N 3.33Å; M317-F321 VanDerWaalsContact O-N 3.14Å; C318-F321 PolarHBondContact O-N 2.91Å; F321-P323 HydrophobicContact CD1-CB 4.32Å; F321-P323 HydrophobicContact CE1-CB 4.03Å; F321-P323 WeakPolarHBondContact O-CD 3.38Å; F321-T327 WeakPolarHBondContact CD2-O 3.41Å; F321-V328 HydrophobicContact CD2-CB 4.24Å; F321-F353 AromaticContact CE2-CD1 3.67Å; F321-F353 HydrophobicContact CE2-CD1 3.67Å; F321-F353 HydrophobicContact CE2-CE1 4.09Å; F321-F353 HydrophobicContact CE2-CG 4.3Å; F321-F353 HydrophobicContact CZ-CD1 4.38Å; F321-A356 HydrophobicContact CB-CB 4.22Å; F321-A356 HydrophobicContact CD1-CB 4.17Å; F321-A356 HydrophobicContact CD2-CB 3.82Å; F321-A356 HydrophobicContact CE1-CB 4.48Å; F321-A356 HydrophobicContact CE2-CB 4.17Å; F321-A356 HydrophobicContact CG-CB 3.81Å; F321-A356 HydrophobicContact CZ-CB 4.48Å; F321-K357 HydrophobicContact CE1-CB 3.82Å; F321-K357 HydrophobicContact CE1-CG 4.39Å; F321-K357 HydrophobicContact CZ-CB 4.06Å
322N93.7Very high94.7Very high28 Ų2834.6 Ų34.615%0.1519%0.187CC..EExtended strand (participates in β ladder)trans-107.7104.6175.6-176.1-20.2000109.5L324 N325 N326 T327 Y334N322-L324 VanDerWaalsContact C-N 3.26Å; N322-L324 PolarHBondContact O-N 3.22Å; N322-L324 WeakPolarHBondContact OD1-CB 3.46Å; N322-L324 PolarHBondContact OD1-N 3.13Å; N322-N325 WeakPolarHBondContact CB-OD1 3.22Å; N322-N325 PolarHBondContact O-OD1 3.28Å; N322-N326 WeakPolarHBondContact O-CA 3.46Å; N322-N326 PolarHBondContact O-N 3Å; N322-T327 PolarHBondContact N-O 3.46Å; N322-T327 PolarHBondContact O-N 3.45Å; N322-Y334 HydrophobicContact CB-CD1 4.01Å; N322-Y334 HydrophobicContact CB-CE1 3.94Å
323P91.9Very high94.6Very high65 Ų6537.5 Ų37.542%0.42220%0.2SC..THydrogen-bonded Turntrans-73.6-13.7-17730.2-35.9000113.9F321 C360F321-P323 HydrophobicContact CD1-CB 4.32Å; F321-P323 HydrophobicContact CE1-CB 4.03Å; F321-P323 WeakPolarHBondContact O-CD 3.38Å; P323-C360 HydrophobicContact CB-CB 4.38Å; P323-C360 HydrophobicContact CG-CB 4.28Å
324L89.8Confident94.5Very high167 Ų16736.9 Ų36.987%0.87420%0.195SC*.THydrogen-bonded Turntrans-75-36.2-179-59.9175.8000112.4N322N322-L324 VanDerWaalsContact C-N 3.26Å; N322-L324 PolarHBondContact O-N 3.22Å; N322-L324 WeakPolarHBondContact OD1-CB 3.46Å; N322-L324 PolarHBondContact OD1-N 3.13Å
325N90.5Very high94.4Very high73 Ų7336.3 Ų36.339%0.3919%0.193SC..THydrogen-bonded Turntrans-118.64.6-179.666.25.3000113.2N322 T327N322-N325 WeakPolarHBondContact CB-OD1 3.22Å; N322-N325 PolarHBondContact O-OD1 3.28Å; N325-T327 HydrophobicContact CB-CG2 4.5Å; N325-T327 PolarHBondContact ND2-OG1 3.38Å; N325-T327 PolarHBondContact OD1-N 3.47Å; N325-T327 PolarHBondContact OD1-OG1 2.84Å
326N94.2Very high94.3Very high41 Ų4136.4 Ų36.422%0.21919%0.194CC..THydrogen-bonded Turntrans56.651178.1-158.274.6000112.8N322 F353N322-N326 WeakPolarHBondContact O-CA 3.46Å; N322-N326 PolarHBondContact O-N 3Å; N326-F353 WeakPolarHBondContact O-CE1 3.4Å
327T95.9Very high94.2Very high13 Ų1338.2 Ų38.28%0.0821%0.205CC..EExtended strand (participates in β ladder)trans-123.9152.418062.50000112.3F321 N322 N325 Y334 G335F321-T327 WeakPolarHBondContact CD2-O 3.41Å; N322-T327 PolarHBondContact N-O 3.46Å; N322-T327 PolarHBondContact O-N 3.45Å; N325-T327 HydrophobicContact CB-CG2 4.5Å; N325-T327 PolarHBondContact ND2-OG1 3.38Å; N325-T327 PolarHBondContact OD1-N 3.47Å; N325-T327 PolarHBondContact OD1-OG1 2.84Å; T327-Y334 WeakPolarHBondContact OG1-CD1 3.12Å; T327-G335 CarbonylContact C-O 3.55Å; T327-G335 VanDerWaalsContact CA-O 3.3Å; T327-G335 WeakPolarHBondContact CA-O 3.3Å; T327-G335 WeakPolarHBondContact CB-O 3.49Å
328V96.3Very high94.2Very high11 Ų1140.6 Ų40.67%0.06722%0.215CC..EExtended strand (participates in β ladder)trans-118.3146173.267.90000109.7M317 A320 F321 F330 Y334 G335 F340 F353M317-V328 HydrophobicContact CE-CB 3.98Å; M317-V328 HydrophobicContact CE-CG1 4.43Å; M317-V328 HydrophobicContact CE-CG2 3.6Å; M317-V328 HydrophobicContact CG-CG2 3.86Å; M317-V328 HydrophobicContact SD-CG2 4.17Å; A320-V328 WeakPolarHBondContact O-CA 3.42Å; F321-V328 HydrophobicContact CD2-CB 4.24Å; V328-F330 PolarHBondContact O-N 2.95Å; V328-Y334 WeakPolarHBondContact O-CA 3.48Å; V328-G335 PolarHBondContact N-O 3.34Å; V328-G335 PolarHBondContact O-N 2.74Å; V328-F340 HydrophobicContact CG1-CE2 3.97Å; V328-F340 HydrophobicContact CG1-CZ 4.2Å; V328-F353 HydrophobicContact CB-CZ 4.32Å; V328-F353 HydrophobicContact CG1-CE1 4.5Å; V328-F353 HydrophobicContact CG1-CE2 4.18Å; V328-F353 HydrophobicContact CG1-CZ 3.7Å
329L95.8Very high94.2Very high20 Ų2040.1 Ų40.111%0.10521%0.212CC..EExtended strand (participates in β ladder)trans-66.2118.2170.1-174.967.8000110Y239 L244 L247 A320 G332 K333 Y334Y239-L329 HydrophobicContact CD2-CD2 3.84Å; Y239-L329 HydrophobicContact CE1-CD2 4.43Å; Y239-L329 HydrophobicContact CE2-CD2 3.63Å; Y239-L329 HydrophobicContact CG-CD2 4.34Å; L244-L329 HydrophobicContact CD2-CD2 3.66Å; L247-L329 HydrophobicContact CB-CD1 4.28Å; L247-L329 HydrophobicContact CD1-CD1 4.08Å; L247-L329 HydrophobicContact CD1-CD2 3.96Å; A320-L329 HydrophobicContact CB-CB 4.07Å; A320-L329 PolarHBondContact O-N 3.09Å; L329-G332 VanDerWaalsContact CD1-C 3.49Å; L329-K333 WeakPolarHBondContact CA-O 3.34Å; L329-Y334 HydrophobicContact CB-CD2 4.43Å; L329-Y334 HydrophobicContact CB-CE1 4.23Å; L329-Y334 HydrophobicContact CB-CE2 4.09Å; L329-Y334 HydrophobicContact CD1-CD2 3.9Å; L329-Y334 HydrophobicContact CD1-CE2 3.83Å; L329-Y334 HydrophobicContact CG-CE2 4.46Å
330F94.6Very high94.3Very high21 Ų2139.1 Ų39.19%0.09221%0.209CC..EExtended strand (participates in β ladder)trans-135.2125.5174.4-166.9-102.2000108.5H252 Y260 Q271 Q275 V328 G332 K333 M339 F340H252-F330 PolarHBondContact NE2-O 3.16Å; Y260-F330 HydrophobicContact CE1-CD1 4.25Å; Y260-F330 AromaticContact CE1-CE1 3.83Å; Y260-F330 HydrophobicContact CE1-CE1 3.83Å; Q271-F330 HydrophobicContact CG-CZ 4.41Å; Q275-F330 HydrophobicContact CB-CE2 4.24Å; Q275-F330 HydrophobicContact CG-CE2 3.91Å; Q275-F330 HydrophobicContact CG-CZ 4.11Å; V328-F330 PolarHBondContact O-N 2.95Å; F330-G332 PolarHBondContact O-N 3.42Å; F330-G332 VanDerWaalsContact O-N 3.15Å; F330-K333 PolarHBondContact N-O 3.09Å; F330-K333 PolarHBondContact O-N 3.28Å; F330-M339 HydrophobicContact CB-CE 4Å; F330-M339 HydrophobicContact CD1-CE 4.37Å; F330-F340 HydrophobicContact CB-CZ 4.12Å; F330-F340 HydrophobicContact CD1-CE1 4.21Å; F330-F340 HydrophobicContact CD1-CZ 4.32Å; F330-F340 AromaticContact CD2-CE1 3.8Å; F330-F340 HydrophobicContact CD2-CE1 3.8Å; F330-F340 AromaticContact CD2-CZ 3.81Å; F330-F340 HydrophobicContact CD2-CZ 3.81Å; F330-F340 HydrophobicContact CE1-CE1 4.22Å; F330-F340 AromaticContact CE2-CE1 3.81Å; F330-F340 HydrophobicContact CE2-CE1 3.81Å; F330-F340 HydrophobicContact CE2-CZ 4.31Å; F330-F340 HydrophobicContact CG-CE1 4.01Å; F330-F340 AromaticContact CG-CZ 3.82Å; F330-F340 HydrophobicContact CG-CZ 3.82Å; F330-F340 HydrophobicContact CZ-CE1 4.03Å
331E90.6Very high94.3Very high88 Ų8844.3 Ų44.341%0.41123%0.228SC..THydrogen-bonded Turntrans50.637.6-176.9-54.6-153.9153.100115.6Y260 Q271 Q275Y260-E331 PolarHBondContact OH-OE2 3.39Å; Y260-E331 VanDerWaalsContact OH-OE2 3.14Å; Q271-E331 WeakPolarHBondContact CG-OE1 3.1Å; Q271-E331 PolarHBondContact NE2-OE1 2.93Å; Q271-E331 PolarHBondContact NE2-OE2 2.91Å; Q275-E331 PolarHBondContact NE2-OE1 3.45Å
332G91.1Very high94.3Very high20 Ų2045 Ų4521%0.20623%0.234CC..THydrogen-bonded Turntrans84.93.2175.200000115.2L329 F330L329-G332 VanDerWaalsContact CD1-C 3.49Å; F330-G332 PolarHBondContact O-N 3.42Å; F330-G332 VanDerWaalsContact O-N 3.15Å
333K95.2Very high94.4Very high61 Ų6144.2 Ų44.227%0.26523%0.229SC..EExtended strand (participates in β ladder)trans-131.5153.3170.9-70.4-179.2176.3-175.60111.9Q250 E256 L329 F330Q250-K333 HydrophobicContact CB-CG 4.42Å; Q250-K333 CarbonylContact O-C 3.47Å; Q250-K333 VanDerWaalsContact O-CA 3.23Å; Q250-K333 WeakPolarHBondContact O-CA 3.39Å; Q250-K333 WeakPolarHBondContact O-CB 3.25Å; E256-K333 IonicContact OE1-NZ 2.67Å; E256-K333 PolarHBondContact OE1-NZ 3.11Å; E256-K333 IonicContact OE2-NZ 2.87Å; E256-K333 PolarHBondContact OE2-NZ 3.32Å; L329-K333 WeakPolarHBondContact CA-O 3.34Å; F330-K333 PolarHBondContact N-O 3.09Å; F330-K333 PolarHBondContact O-N 3.28Å
334Y95.8Very high94.5Very high9 Ų943.1 Ų43.14%0.03523%0.23CC..EExtended strand (participates in β ladder)trans-81.5130.3175.1-82-96.9000111.1L247 Q250 T251 H252 A320 N322 T327 V328 L329L247-Y334 HydrophobicContact CB-CE2 4.12Å; L247-Y334 VanDerWaalsContact O-CD2 3.28Å; L247-Y334 WeakPolarHBondContact O-CD2 3.39Å; Q250-Y334 PolarHBondContact O-N 2.95Å; T251-Y334 CarbonylContact C-O 3.24Å; T251-Y334 VanDerWaalsContact CA-O 3.25Å; T251-Y334 WeakPolarHBondContact CA-O 3.31Å; H252-Y334 PolarHBondContact N-O 3.3Å; A320-Y334 VanDerWaalsContact O-CE1 3.25Å; A320-Y334 WeakPolarHBondContact O-CE1 3.48Å; N322-Y334 HydrophobicContact CB-CD1 4.01Å; N322-Y334 HydrophobicContact CB-CE1 3.94Å; T327-Y334 WeakPolarHBondContact OG1-CD1 3.12Å; V328-Y334 WeakPolarHBondContact O-CA 3.48Å; L329-Y334 HydrophobicContact CB-CD2 4.43Å; L329-Y334 HydrophobicContact CB-CE1 4.23Å; L329-Y334 HydrophobicContact CB-CE2 4.09Å; L329-Y334 HydrophobicContact CD1-CD2 3.9Å; L329-Y334 HydrophobicContact CD1-CE2 3.83Å; L329-Y334 HydrophobicContact CG-CE2 4.46Å
335G95.8Very high94.8Very high4 Ų435.3 Ų35.34%0.04119%0.189CC..EExtended strand (participates in β ladder)trans-145.8155.1174.800000113T327 V328T327-G335 CarbonylContact C-O 3.55Å; T327-G335 VanDerWaalsContact CA-O 3.3Å; T327-G335 WeakPolarHBondContact CA-O 3.3Å; T327-G335 WeakPolarHBondContact CB-O 3.49Å; V328-G335 PolarHBondContact N-O 3.34Å; V328-G335 PolarHBondContact O-N 2.74Å
336G95.8Very high95.1Very high2 Ų235.6 Ų35.62%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-89.1175-178.500000113.2Q338 M339G336-Q338 VanDerWaalsContact CA-OE1 3.24Å; G336-Q338 PolarHBondContact O-N 3.2Å; G336-M339 PolarHBondContact O-N 3.32Å
337M95.8Very high95.2Very high67 Ų6739.3 Ų39.333%0.3321%0.211SC..G310 helixtrans-43.7-34.3177.356.8175.455.900114.1M339 F340 V349 F353M337-M339 PolarHBondContact O-N 3.44Å; M337-F340 PolarHBondContact O-N 2.96Å; M337-V349 HydrophobicContact CB-CG1 3.99Å; M337-F353 HydrophobicContact CB-CD1 4.48Å; M337-F353 HydrophobicContact CB-CE1 4.37Å; M337-F353 HydrophobicContact CB-CE2 4.4Å; M337-F353 HydrophobicContact CB-CZ 4.31Å
338Q94.4Very high95.3Very high84 Ų8439.4 Ų39.439%0.39321%0.211SC..G310 helixtrans-60.1-18.9-178.170.2-800.100114.7V257 Q261 G336 F340V257-Q338 HydrophobicContact CG1-CG 3.61Å; Q261-Q338 VanDerWaalsContact CG-O 3.27Å; Q261-Q338 WeakPolarHBondContact CG-O 3.46Å; Q261-Q338 PolarHBondContact NE2-O 3.02Å; G336-Q338 VanDerWaalsContact CA-OE1 3.24Å; G336-Q338 PolarHBondContact O-N 3.2Å; Q338-F340 VanDerWaalsContact C-N 3.35Å
339M95.8Very high95.3Very high0 Ų039.6 Ų39.60%021%0.212CC..G310 helixtrans-72.6-30173.3-59.1-160.8-48.700112.5H252 V257 Y260 F330 G336 M337H252-M339 HydrophobicContact CB-SD 3.95Å; H252-M339 PolarHBondContact CD2-SD 3.5Å; V257-M339 HydrophobicContact CG1-CG 4.35Å; V257-M339 HydrophobicContact CG2-CG 3.99Å; V257-M339 HydrophobicContact CG2-SD 4.25Å; Y260-M339 HydrophobicContact CD2-SD 4Å; Y260-M339 HydrophobicContact CE2-SD 4.23Å; Y260-M339 HydrophobicContact CG-CB 4.33Å; F330-M339 HydrophobicContact CB-CE 4Å; F330-M339 HydrophobicContact CD1-CE 4.37Å; G336-M339 PolarHBondContact O-N 3.32Å; M337-M339 PolarHBondContact O-N 3.44Å
340F96.7Very high95.4Very high17 Ų1741.3 Ų41.38%0.07522%0.221CC..SBendtrans-89.3-2.9-173.3-58.7-70.6000113.3V328 F330 M337 Q338 S342 L343 V349 F353V328-F340 HydrophobicContact CG1-CE2 3.97Å; V328-F340 HydrophobicContact CG1-CZ 4.2Å; F330-F340 HydrophobicContact CB-CZ 4.12Å; F330-F340 HydrophobicContact CD1-CE1 4.21Å; F330-F340 HydrophobicContact CD1-CZ 4.32Å; F330-F340 AromaticContact CD2-CE1 3.8Å; F330-F340 HydrophobicContact CD2-CE1 3.8Å; F330-F340 AromaticContact CD2-CZ 3.81Å; F330-F340 HydrophobicContact CD2-CZ 3.81Å; F330-F340 HydrophobicContact CE1-CE1 4.22Å; F330-F340 AromaticContact CE2-CE1 3.81Å; F330-F340 HydrophobicContact CE2-CE1 3.81Å; F330-F340 HydrophobicContact CE2-CZ 4.31Å; F330-F340 HydrophobicContact CG-CE1 4.01Å; F330-F340 AromaticContact CG-CZ 3.82Å; F330-F340 HydrophobicContact CG-CZ 3.82Å; F330-F340 HydrophobicContact CZ-CE1 4.03Å; M337-F340 PolarHBondContact O-N 2.96Å; Q338-F340 VanDerWaalsContact C-N 3.35Å; F340-S342 PolarHBondContact O-N 3.35Å; F340-L343 HydrophobicContact CB-CD1 4.01Å; F340-L343 HydrophobicContact CD1-CD1 4.23Å; F340-L343 VanDerWaalsContact O-CB 3.23Å; F340-L343 WeakPolarHBondContact O-CB 3.45Å; F340-L343 WeakPolarHBondContact O-CG 3.26Å; F340-L343 PolarHBondContact O-N 3.16Å; F340-V349 HydrophobicContact CB-CG1 3.94Å; F340-V349 HydrophobicContact CB-CG2 3.8Å; F340-V349 HydrophobicContact CD2-CG1 4.28Å; F340-V349 HydrophobicContact CG-CG1 4.46Å; F340-F353 HydrophobicContact CD2-CE2 4.07Å; F340-F353 HydrophobicContact CD2-CZ 4.3Å; F340-F353 HydrophobicContact CE2-CE2 4.04Å; F340-F353 HydrophobicContact CE2-CZ 4.04Å
341K94.9Very high95.6Very high129 Ų12941.9 Ų41.956%0.56123%0.23SC*.G310 helixtrans-50.7-35.4-176.7-171.5169.1-174.4170.50114.2L343 G344K341-L343 PolarHBondContact O-N 3.11Å; K341-G344 PolarHBondContact O-N 3.17Å
342S95.6Very high96Very high24 Ų2438.9 Ų38.917%0.16822%0.218CC..G310 helixtrans-74.3-7.6-179.9-49.30000114.3Y260 Q261 R265 F340 G344Y260-S342 PolarHBondContact O-OG 3.47Å; Q261-S342 VanDerWaalsContact CA-OG 3.27Å; Q261-S342 WeakPolarHBondContact CA-OG 3.37Å; Q261-S342 PolarHBondContact O-OG 2.92Å; R265-S342 WeakPolarHBondContact CA-O 3.21Å; R265-S342 WeakPolarHBondContact CB-O 3.21Å; R265-S342 WeakPolarHBondContact CG-O 3.35Å; F340-S342 PolarHBondContact O-N 3.35Å; S342-G344 PolarHBondContact O-N 2.99Å
343L95.9Very high96.3Very high12 Ų1238.2 Ų38.26%0.06321%0.209CC..G310 helixtrans-66.4-25.8167.8-65.5176.6000111.8R265 L268 W269 F340 K341 C345 V349R265-L343 PolarHBondContact NE-O 3.38Å; R265-L343 PolarHBondContact NH2-O 3.29Å; R265-L343 VanDerWaalsContact NH2-O 3.15Å; L268-L343 HydrophobicContact CB-CD2 4.07Å; L268-L343 HydrophobicContact CD2-CD2 4.18Å; L268-L343 HydrophobicContact CD2-CG 3.99Å; L268-L343 HydrophobicContact CG-CD2 3.7Å; L268-L343 HydrophobicContact CG-CG 4.03Å; W269-L343 HydrophobicContact CB-CD2 4.26Å; W269-L343 HydrophobicContact CD2-CD2 4.08Å; W269-L343 HydrophobicContact CG-CD2 3.72Å; W269-L343 PolarHBondContact NE1-O 2.89Å; F340-L343 HydrophobicContact CB-CD1 4.01Å; F340-L343 HydrophobicContact CD1-CD1 4.23Å; F340-L343 VanDerWaalsContact O-CB 3.23Å; F340-L343 WeakPolarHBondContact O-CB 3.45Å; F340-L343 WeakPolarHBondContact O-CG 3.26Å; F340-L343 PolarHBondContact O-N 3.16Å; K341-L343 PolarHBondContact O-N 3.11Å; L343-C345 VanDerWaalsContact C-N 3.3Å; L343-C345 WeakPolarHBondContact CB-SG 3.45Å; L343-C345 PolarHBondContact O-N 3.05Å; L343-V349 HydrophobicContact CD1-CG2 4.3Å
344G94.7Very high96.4Very high42 Ų4240 Ų4043%0.43322%0.222SC..SBendtrans64.232.5-178.100000113.8R265 K341 S342R265-G344 PolarHBondContact NH2-O 3.33Å; R265-G344 VanDerWaalsContact NH2-O 3.16Å; K341-G344 PolarHBondContact O-N 3.17Å; S342-G344 PolarHBondContact O-N 2.99Å
345C95.6Very high96.5Very high3 Ų339.9 Ų39.92%0.0222%0.221CC..  trans-132.852.2177.158.50000109.9W269 L343 D347 L348 V349 E436W269-C345 HydrophobicContact CZ2-CB 4.44Å; L343-C345 VanDerWaalsContact C-N 3.3Å; L343-C345 WeakPolarHBondContact CB-SG 3.45Å; L343-C345 PolarHBondContact O-N 3.05Å; C345-D347 PolarHBondContact O-N 2.86Å; C345-L348 HydrophobicContact CB-CB 4.27Å; C345-L348 WeakPolarHBondContact O-CB 3.41Å; C345-L348 PolarHBondContact O-N 2.93Å; C345-V349 PolarHBondContact O-N 3.05Å; C345-V349 VanDerWaalsContact O-N 3.11Å; C345-E436 HydrophobicContact CB-CB 4.31Å; C345-E436 HydrophobicContact CB-CG 3.77Å; C345-E436 WeakPolarHBondContact CB-OE2 3.36Å
346D95.8Very high96.6Very high79 Ų7939.7 Ų39.742%0.42222%0.219SC..Hα-helixtrans-56.7-35.7-170.9-70.2-33.8000112.2V349 N350D346-V349 PolarHBondContact O-N 3.06Å; D346-N350 WeakPolarHBondContact O-CB 3.32Å; D346-N350 PolarHBondContact O-N 2.84Å; D346-N350 PolarHBondContact O-ND2 2.95Å
347D97.1Very high96.6Very high120 Ų12044.4 Ų44.464%0.64224%0.239SC*.Hα-helixtrans-62.8-42.4176.9-66-32.9000112.6C345 A351C345-D347 PolarHBondContact O-N 2.86Å; D347-A351 VanDerWaalsContact O-CB 3.25Å; D347-A351 WeakPolarHBondContact O-CB 3.15Å; D347-A351 PolarHBondContact O-N 3.03Å
348L97.6Very high96.7Very high15 Ų1543 Ų438%0.07924%0.235CC..Hα-helixtrans-64.6-45.3174.417663.2000111.3C345 A351 V352 L432 H433 E436C345-L348 HydrophobicContact CB-CB 4.27Å; C345-L348 WeakPolarHBondContact O-CB 3.41Å; C345-L348 PolarHBondContact O-N 2.93Å; L348-A351 PolarHBondContact O-N 3.45Å; L348-V352 HydrophobicContact CD1-CG2 4.13Å; L348-V352 WeakPolarHBondContact O-CB 3.39Å; L348-V352 VanDerWaalsContact O-CG2 3.28Å; L348-V352 WeakPolarHBondContact O-CG2 3.45Å; L348-V352 PolarHBondContact O-N 3.32Å; L348-L432 HydrophobicContact CB-CD2 4.03Å; L348-L432 HydrophobicContact CB-CG 4.12Å; L348-L432 HydrophobicContact CD1-CB 4.23Å; L348-L432 HydrophobicContact CD1-CD2 4.06Å; L348-L432 HydrophobicContact CD1-CG 3.98Å; L348-H433 HydrophobicContact CD1-CB 4.16Å; L348-H433 HydrophobicContact CD2-CB 4.22Å; L348-E436 HydrophobicContact CB-CG 4.3Å; L348-E436 HydrophobicContact CD2-CB 4.17Å; L348-E436 HydrophobicContact CD2-CG 4.19Å
349V97.8Very high96.8Very high14 Ų1439 Ų399%0.08522%0.217CC..Hα-helixtrans-61.8-47179175.70000110.5M337 F340 L343 C345 D346 V352 F353M337-V349 HydrophobicContact CB-CG1 3.99Å; F340-V349 HydrophobicContact CB-CG1 3.94Å; F340-V349 HydrophobicContact CB-CG2 3.8Å; F340-V349 HydrophobicContact CD2-CG1 4.28Å; F340-V349 HydrophobicContact CG-CG1 4.46Å; L343-V349 HydrophobicContact CD1-CG2 4.3Å; C345-V349 PolarHBondContact O-N 3.05Å; C345-V349 VanDerWaalsContact O-N 3.11Å; D346-V349 PolarHBondContact O-N 3.06Å; V349-V352 PolarHBondContact O-N 2.83Å; V349-F353 HydrophobicContact CG1-CD2 4.1Å; V349-F353 HydrophobicContact CG1-CE2 4.1Å; V349-F353 VanDerWaalsContact O-CD2 3.27Å; V349-F353 WeakPolarHBondContact O-CD2 3.37Å; V349-F353 PolarHBondContact O-N 2.89Å
350N97.6Very high96.8Very high56 Ų5640.4 Ų40.430%0.29923%0.226SC..Hα-helixtrans-60.7-49.7178.2-70.7-33000111.1D346 V352 F353 D354D346-N350 WeakPolarHBondContact O-CB 3.32Å; D346-N350 PolarHBondContact O-N 2.84Å; D346-N350 PolarHBondContact O-ND2 2.95Å; N350-V352 VanDerWaalsContact C-N 3.31Å; N350-V352 PolarHBondContact O-N 3.38Å; N350-F353 PolarHBondContact O-N 3.34Å; N350-F353 VanDerWaalsContact O-N 3.11Å; N350-D354 PolarHBondContact O-N 2.94Å
351A98.2Very high96.7Very high34 Ų3443.3 Ų43.328%0.28125%0.249SC..Hα-helixtrans-62.2-35.9-179.500000112.8D347 L348 F355 L429D347-A351 VanDerWaalsContact O-CB 3.25Å; D347-A351 WeakPolarHBondContact O-CB 3.15Å; D347-A351 PolarHBondContact O-N 3.03Å; L348-A351 PolarHBondContact O-N 3.45Å; A351-F355 VanDerWaalsContact O-CB 3.27Å; A351-F355 WeakPolarHBondContact O-CB 3.48Å; A351-F355 PolarHBondContact O-N 3.31Å; A351-L429 HydrophobicContact CB-CD2 3.44Å; A351-L429 VanDerWaalsContact CB-CD2 3.44Å
352V98.1Very high96.7Very high25 Ų2538.5 Ų38.515%0.15223%0.229CC..Hα-helixtrans-66.1-41.7173.6166.60000111.8L314 M317 L348 V349 N350 A356 L429L314-V352 HydrophobicContact CD2-CG1 4.02Å; L314-V352 HydrophobicContact CD2-CG2 3.93Å; M317-V352 HydrophobicContact CE-CG1 3.61Å; M317-V352 HydrophobicContact SD-CG1 3.61Å; L348-V352 HydrophobicContact CD1-CG2 4.13Å; L348-V352 WeakPolarHBondContact O-CB 3.39Å; L348-V352 VanDerWaalsContact O-CG2 3.28Å; L348-V352 WeakPolarHBondContact O-CG2 3.45Å; L348-V352 PolarHBondContact O-N 3.32Å; V349-V352 PolarHBondContact O-N 2.83Å; N350-V352 VanDerWaalsContact C-N 3.31Å; N350-V352 PolarHBondContact O-N 3.38Å; V352-A356 WeakPolarHBondContact O-CB 3.43Å; V352-A356 PolarHBondContact O-N 2.62Å; V352-L429 HydrophobicContact CG2-CD2 3.98Å
353F98.1Very high96.6Very high5 Ų545.3 Ų45.32%0.02226%0.259CS..Hα-helixtrans-67.6-43.1176.4-89.2-112.3000112.1F321 N326 V328 M337 F340 V349 N350 A356 K357F321-F353 AromaticContact CE2-CD1 3.67Å; F321-F353 HydrophobicContact CE2-CD1 3.67Å; F321-F353 HydrophobicContact CE2-CE1 4.09Å; F321-F353 HydrophobicContact CE2-CG 4.3Å; F321-F353 HydrophobicContact CZ-CD1 4.38Å; N326-F353 WeakPolarHBondContact O-CE1 3.4Å; V328-F353 HydrophobicContact CB-CZ 4.32Å; V328-F353 HydrophobicContact CG1-CE1 4.5Å; V328-F353 HydrophobicContact CG1-CE2 4.18Å; V328-F353 HydrophobicContact CG1-CZ 3.7Å; M337-F353 HydrophobicContact CB-CD1 4.48Å; M337-F353 HydrophobicContact CB-CE1 4.37Å; M337-F353 HydrophobicContact CB-CE2 4.4Å; M337-F353 HydrophobicContact CB-CZ 4.31Å; F340-F353 HydrophobicContact CD2-CE2 4.07Å; F340-F353 HydrophobicContact CD2-CZ 4.3Å; F340-F353 HydrophobicContact CE2-CE2 4.04Å; F340-F353 HydrophobicContact CE2-CZ 4.04Å; V349-F353 HydrophobicContact CG1-CD2 4.1Å; V349-F353 HydrophobicContact CG1-CE2 4.1Å; V349-F353 VanDerWaalsContact O-CD2 3.27Å; V349-F353 WeakPolarHBondContact O-CD2 3.37Å; V349-F353 PolarHBondContact O-N 2.89Å; N350-F353 PolarHBondContact O-N 3.34Å; N350-F353 VanDerWaalsContact O-N 3.11Å; F353-A356 PolarHBondContact O-N 3.27Å; F353-K357 WeakPolarHBondContact O-CB 3.3Å; F353-K357 PolarHBondContact O-N 2.87Å
354D97.8Very high96.5Very high100 Ų10046 Ų4654%0.53526%0.262SS..Hα-helixtrans-64.9-39.3177.1-76.8-28.4000111.8N350 S358N350-D354 PolarHBondContact O-N 2.94Å; D354-S358 VanDerWaalsContact O-CB 3.27Å; D354-S358 WeakPolarHBondContact O-CB 3.42Å; D354-S358 PolarHBondContact O-N 3.47Å
355F98.1Very high96.6Very high6 Ų646.7 Ų46.73%0.02626%0.258CS..Hα-helixtrans-62.3-49.6172.1174.6-92.2000112.2L314 A351 K357 S358 L359 R422 T425 L426 L429L314-F355 HydrophobicContact CB-CE1 4.35Å; A351-F355 VanDerWaalsContact O-CB 3.27Å; A351-F355 WeakPolarHBondContact O-CB 3.48Å; A351-F355 PolarHBondContact O-N 3.31Å; F355-K357 VanDerWaalsContact C-N 3.3Å; F355-K357 PolarHBondContact O-N 2.65Å; F355-S358 CarbonylContact O-C 3.55Å; F355-S358 PolarHBondContact O-N 3.4Å; F355-S358 VanDerWaalsContact O-N 3.12Å; F355-L359 HydrophobicContact CE1-CD2 3.95Å; F355-L359 HydrophobicContact CZ-CD2 3.98Å; F355-L359 PolarHBondContact O-N 3.45Å; F355-R422 HydrophobicContact CE2-CB 4.09Å; F355-T425 HydrophobicContact CD2-CG2 3.87Å; F355-L426 HydrophobicContact CD1-CD2 4.38Å; F355-L426 HydrophobicContact CE1-CD2 3.58Å; F355-L426 HydrophobicContact CE1-CG 4.29Å; F355-L426 HydrophobicContact CE2-CD1 4.39Å; F355-L426 HydrophobicContact CE2-CD2 3.8Å; F355-L426 HydrophobicContact CE2-CG 3.6Å; F355-L426 HydrophobicContact CZ-CD1 4Å; F355-L426 HydrophobicContact CZ-CD2 3.25Å; F355-L426 HydrophobicContact CZ-CG 3.45Å; F355-L426 VanDerWaalsContact CZ-CG 3.45Å; F355-L429 HydrophobicContact CB-CD1 3.58Å; F355-L429 HydrophobicContact CD1-CD1 4.16Å; F355-L429 HydrophobicContact CD2-CD1 4.12Å; F355-L429 HydrophobicContact CG-CD1 3.66Å
356A97.4Very high96.6Very high0 Ų048.6 Ų48.60%027%0.266CS..Hα-helixtrans-57.8-44.9178.800000111.1M317 F321 V352 F353 L359 C360M317-A356 HydrophobicContact CE-CB 3.96Å; F321-A356 HydrophobicContact CB-CB 4.22Å; F321-A356 HydrophobicContact CD1-CB 4.17Å; F321-A356 HydrophobicContact CD2-CB 3.82Å; F321-A356 HydrophobicContact CE1-CB 4.48Å; F321-A356 HydrophobicContact CE2-CB 4.17Å; F321-A356 HydrophobicContact CG-CB 3.81Å; F321-A356 HydrophobicContact CZ-CB 4.48Å; V352-A356 WeakPolarHBondContact O-CB 3.43Å; V352-A356 PolarHBondContact O-N 2.62Å; F353-A356 PolarHBondContact O-N 3.27Å; A356-L359 PolarHBondContact O-N 3.39Å; A356-C360 PolarHBondContact O-N 3.24Å; A356-C360 PolarHBondContact O-SG 2.98Å
357K96.4Very high96.7Very high101 Ų10147.5 Ų47.544%0.43926%0.259SS..Hα-helixtrans-61.2-43.2174.5-171.8179-179.5-179.80112.6F321 F353 F355 L359 C360 S361F321-K357 HydrophobicContact CE1-CB 3.82Å; F321-K357 HydrophobicContact CE1-CG 4.39Å; F321-K357 HydrophobicContact CZ-CB 4.06Å; F353-K357 WeakPolarHBondContact O-CB 3.3Å; F353-K357 PolarHBondContact O-N 2.87Å; F355-K357 VanDerWaalsContact C-N 3.3Å; F355-K357 PolarHBondContact O-N 2.65Å; K357-L359 VanDerWaalsContact C-N 3.28Å; K357-L359 PolarHBondContact O-N 3.31Å; K357-C360 PolarHBondContact O-N 2.8Å; K357-S361 PolarHBondContact O-N 3.33Å
358S96.6Very high96.7Very high36 Ų3641.9 Ų41.925%0.25223%0.229SC..Hα-helixtrans-70.5-19.5177.2-177.80000114D354 F355 S361 R422D354-S358 VanDerWaalsContact O-CB 3.27Å; D354-S358 WeakPolarHBondContact O-CB 3.42Å; D354-S358 PolarHBondContact O-N 3.47Å; F355-S358 CarbonylContact O-C 3.55Å; F355-S358 PolarHBondContact O-N 3.4Å; F355-S358 VanDerWaalsContact O-N 3.12Å; S358-S361 PolarHBondContact O-OG 2.89Å; S358-R422 PolarHBondContact OG-NE 2.92Å; S358-R422 PolarHBondContact OG-NH2 3.42Å
359L96.6Very high96.7Very high2 Ų241.5 Ų41.51%0.0123%0.227CC..Hα-helixtrans-86.5-42.3173.1-169.457.9000110.3V315 C318 F355 A356 K357 S361 L362 L364 L419V315-L359 HydrophobicContact CB-CD2 4.47Å; V315-L359 HydrophobicContact CG1-CD2 4.31Å; C318-L359 HydrophobicContact CB-CB 4.21Å; C318-L359 HydrophobicContact CB-CD2 3.92Å; C318-L359 HydrophobicContact CB-CG 4.1Å; F355-L359 HydrophobicContact CE1-CD2 3.95Å; F355-L359 HydrophobicContact CZ-CD2 3.98Å; F355-L359 PolarHBondContact O-N 3.45Å; A356-L359 PolarHBondContact O-N 3.39Å; K357-L359 VanDerWaalsContact C-N 3.28Å; K357-L359 PolarHBondContact O-N 3.31Å; L359-S361 PolarHBondContact O-N 2.62Å; L359-L362 HydrophobicContact CD1-CD1 4.28Å; L359-L362 WeakPolarHBondContact O-CB 3.36Å; L359-L362 PolarHBondContact O-N 2.67Å; L359-L364 HydrophobicContact CD1-CD1 3.76Å; L359-L364 HydrophobicContact CG-CD1 4.38Å; L359-L419 HydrophobicContact CD1-CD1 3.86Å
360C95.9Very high96.8Very high28 Ų2840.8 Ų40.819%0.18922%0.223CC..Hα-helixtrans-59.2-31.4172.5-68.60000113.1C318 P323 A356 K357 L362 Q363C318-C360 PolarHBondContact O-SG 3.25Å; P323-C360 HydrophobicContact CB-CB 4.38Å; P323-C360 HydrophobicContact CG-CB 4.28Å; A356-C360 PolarHBondContact O-N 3.24Å; A356-C360 PolarHBondContact O-SG 2.98Å; K357-C360 PolarHBondContact O-N 2.8Å; C360-L362 PolarHBondContact O-N 3.01Å; C360-Q363 PolarHBondContact O-N 3.49Å
361S95Very high96.8Very high79 Ų7938.1 Ų38.155%0.55221%0.208SC*.THydrogen-bonded Turntrans-66.7-14.3176.565.80000114.2K357 S358 L359 Q363K357-S361 PolarHBondContact O-N 3.33Å; S358-S361 PolarHBondContact O-OG 2.89Å; L359-S361 PolarHBondContact O-N 2.62Å; S361-Q363 VanDerWaalsContact C-N 3.32Å
362L94.2Very high96.8Very high28 Ų2836.5 Ų36.515%0.14720%0.195CC..THydrogen-bonded Turntrans-84-5.6172.3-58.9-178.6000113L359 C360 L364 K418 L419L359-L362 HydrophobicContact CD1-CD1 4.28Å; L359-L362 WeakPolarHBondContact O-CB 3.36Å; L359-L362 PolarHBondContact O-N 2.67Å; C360-L362 PolarHBondContact O-N 3.01Å; L362-L364 HydrophobicContact CB-CD2 3.99Å; L362-L364 HydrophobicContact CB-CG 4.01Å; L362-L364 PolarHBondContact O-N 3.5Å; L362-L364 VanDerWaalsContact O-N 3.14Å; L362-K418 HydrophobicContact CD2-CB 4.13Å; L362-K418 HydrophobicContact CD2-CD 4.5Å; L362-L419 HydrophobicContact CD1-CB 4.33Å; L362-L419 HydrophobicContact CD1-CD1 4Å
363Q93.2Very high96.8Very high167 Ų16735.3 Ų35.378%0.7819%0.188SC*.THydrogen-bonded Turntrans52.933.1175.9-54.9-173.719.800114.7C360 S361C360-Q363 PolarHBondContact O-N 3.49Å; S361-Q363 VanDerWaalsContact C-N 3.32Å
364L95.4Very high96.9Very high25 Ų2535.1 Ų35.113%0.13119%0.187CC..  trans-59137.7-177.2-55177.1000112.2L359 L362 E368 I369 L419L359-L364 HydrophobicContact CD1-CD1 3.76Å; L359-L364 HydrophobicContact CG-CD1 4.38Å; L362-L364 HydrophobicContact CB-CD2 3.99Å; L362-L364 HydrophobicContact CB-CG 4.01Å; L362-L364 PolarHBondContact O-N 3.5Å; L362-L364 VanDerWaalsContact O-N 3.14Å; L364-E368 HydrophobicContact CB-CB 4.22Å; L364-E368 HydrophobicContact CD2-CB 4.32Å; L364-I369 HydrophobicContact CB-CD1 4.26Å; L364-I369 HydrophobicContact CB-CG1 3.76Å; L364-I369 HydrophobicContact CD1-CG1 4.27Å; L364-L419 HydrophobicContact CD1-CD1 3.74Å; L364-L419 HydrophobicContact CD1-CD2 4.39Å; L364-L419 HydrophobicContact CD2-CD2 4.29Å
365T96Very high96.9Very high57 Ų5730.3 Ų30.335%0.3516%0.161SC..  trans-73.3163.9169.763.80000111.7E367 E368 I369 N409T365-E367 PolarHBondContact O-N 3.05Å; T365-E368 WeakPolarHBondContact CB-OE2 3.41Å; T365-E368 PolarHBondContact N-OE2 3.47Å; T365-E368 PolarHBondContact O-N 3Å; T365-E368 PolarHBondContact OG1-N 3.44Å; T365-E368 PolarHBondContact OG1-OE2 2.86Å; T365-I369 VanDerWaalsContact O-CG1 3.31Å; T365-I369 WeakPolarHBondContact O-CG1 3.49Å; T365-I369 PolarHBondContact O-N 3.03Å; T365-N409 PolarHBondContact OG1-ND2 3.27Å
366E95.4Very high96.8Very high43 Ų4330.1 Ų30.120%0.20116%0.161CC..Hα-helixtrans-55.8-31.5172.1-70.6-71.898.400112.7L234 R319 A370L234-E366 HydrophobicContact CD2-CB 4.46Å; R319-E366 WeakPolarHBondContact CD-OE1 3.43Å; R319-E366 IonicContact CZ-OE1 3.29Å; R319-E366 IonicContact CZ-OE2 3.6Å; R319-E366 VanDerWaalsContact CZ-OE2 3.23Å; R319-E366 VanDerWaalsContact NE-CD 3.27Å; R319-E366 IonicContact NE-OE1 3.23Å; R319-E366 PolarHBondContact NE-OE1 2.89Å; R319-E366 IonicContact NE-OE2 2.74Å; R319-E366 PolarHBondContact NE-OE2 3.34Å; R319-E366 IonicContact NH2-OE1 3.98Å; R319-E366 IonicContact NH2-OE2 2.76Å; R319-E366 PolarHBondContact NH2-OE2 3.04Å; E366-A370 VanDerWaalsContact O-CB 3.27Å; E366-A370 WeakPolarHBondContact O-CB 3.31Å; E366-A370 PolarHBondContact O-N 3.46Å
367E97.6Very high96.8Very high57 Ų5730.1 Ų30.127%0.26616%0.161SC..Hα-helixtrans-70.1-42.9179.6-55.6-161.2162.800111.8I230 T365 A370 L371 I405I230-E367 HydrophobicContact CD1-CB 3.75Å; I230-E367 HydrophobicContact CD1-CG 3.83Å; I230-E367 HydrophobicContact CG1-CB 3.97Å; I230-E367 HydrophobicContact CG1-CG 4.21Å; I230-E367 HydrophobicContact CG2-CG 4.04Å; T365-E367 PolarHBondContact O-N 3.05Å; E367-A370 WeakPolarHBondContact O-CB 3.27Å; E367-A370 PolarHBondContact O-N 2.98Å; E367-L371 PolarHBondContact O-N 3.08Å; E367-L371 VanDerWaalsContact O-N 3.08Å; E367-I405 HydrophobicContact CB-CG2 3.84Å
368E97.8Very high96.8Very high1 Ų125.3 Ų25.31%0.00514%0.14CC..Hα-helixtrans-70.6-40.6177.2-70.8145.5-179.100111.7L364 T365 A370 L371 F372 I405 M406 N409L364-E368 HydrophobicContact CB-CB 4.22Å; L364-E368 HydrophobicContact CD2-CB 4.32Å; T365-E368 WeakPolarHBondContact CB-OE2 3.41Å; T365-E368 PolarHBondContact N-OE2 3.47Å; T365-E368 PolarHBondContact O-N 3Å; T365-E368 PolarHBondContact OG1-N 3.44Å; T365-E368 PolarHBondContact OG1-OE2 2.86Å; E368-A370 VanDerWaalsContact C-N 3.3Å; E368-A370 PolarHBondContact O-N 3.31Å; E368-L371 PolarHBondContact O-N 3.13Å; E368-F372 VanDerWaalsContact O-CB 3.24Å; E368-F372 WeakPolarHBondContact O-CB 3.41Å; E368-F372 PolarHBondContact O-N 3.4Å; E368-I405 HydrophobicContact CG-CG2 4.29Å; E368-M406 HydrophobicContact CG-CG 3.85Å; E368-N409 WeakPolarHBondContact OE1-CB 3.43Å; E368-N409 PolarHBondContact OE1-ND2 2.98Å
369I98.1Very high96.6Very high7 Ų724 Ų244%0.03613%0.131CC..Hα-helixtrans-61.8-40174.2-65.9167.3000110.5H233 V315 R319 L364 T365 S373H233-I369 VanDerWaalsContact NE2-CG2 3.31Å; H233-I369 WeakPolarHBondContact NE2-CG2 3.27Å; V315-I369 HydrophobicContact CG1-CG2 4.38Å; R319-I369 HydrophobicContact CG-CD1 3.97Å; R319-I369 HydrophobicContact CG-CG2 4.37Å; L364-I369 HydrophobicContact CB-CD1 4.26Å; L364-I369 HydrophobicContact CB-CG1 3.76Å; L364-I369 HydrophobicContact CD1-CG1 4.27Å; T365-I369 VanDerWaalsContact O-CG1 3.31Å; T365-I369 WeakPolarHBondContact O-CG1 3.49Å; T365-I369 PolarHBondContact O-N 3.03Å; I369-S373 WeakPolarHBondContact O-CB 3.48Å; I369-S373 PolarHBondContact O-N 3.06Å; I369-S373 PolarHBondContact O-OG 3.25Å
370A98.5Very high96.2Very high0 Ų026 Ų260%014%0.142CC..Hα-helixtrans-62.3-49.2175.900000112.2I229 I230 H233 E366 E367 E368 S373 A374I229-A370 HydrophobicContact CG2-CB 4.23Å; I229-A370 WeakPolarHBondContact CG2-O 3.48Å; I230-A370 HydrophobicContact CG1-CB 4.36Å; H233-A370 HydrophobicContact CB-CB 3.35Å; E366-A370 VanDerWaalsContact O-CB 3.27Å; E366-A370 WeakPolarHBondContact O-CB 3.31Å; E366-A370 PolarHBondContact O-N 3.46Å; E367-A370 WeakPolarHBondContact O-CB 3.27Å; E367-A370 PolarHBondContact O-N 2.98Å; E368-A370 VanDerWaalsContact C-N 3.3Å; E368-A370 PolarHBondContact O-N 3.31Å; A370-S373 WeakPolarHBondContact O-CB 3.25Å; A370-S373 PolarHBondContact O-N 3.23Å; A370-A374 PolarHBondContact O-N 3.03Å; A370-A374 VanDerWaalsContact O-N 3.09Å
371L98.6Very high95.5Very high0 Ų031 Ų310%017%0.167CC..Hα-helixtrans-70-39.2-178.1-80.6160.2000112.5A226 I229 E367 E368 A374 A375 I398 A401 L402 I405A226-L371 HydrophobicContact CB-CD1 4.13Å; I229-L371 HydrophobicContact CB-CD2 4.19Å; I229-L371 HydrophobicContact CD1-CD2 3.78Å; I229-L371 HydrophobicContact CG2-CD2 4.1Å; I229-L371 HydrophobicContact CG2-CG 4.28Å; E367-L371 PolarHBondContact O-N 3.08Å; E367-L371 VanDerWaalsContact O-N 3.08Å; E368-L371 PolarHBondContact O-N 3.13Å; L371-A374 PolarHBondContact O-N 3.29Å; L371-A375 PolarHBondContact O-N 3.42Å; L371-I398 HydrophobicContact CD2-CG2 4.45Å; L371-A401 HydrophobicContact CD2-CB 3.83Å; L371-L402 HydrophobicContact CB-CB 4.02Å; L371-L402 HydrophobicContact CB-CD1 3.67Å; L371-L402 HydrophobicContact CB-CG 4.37Å; L371-I405 HydrophobicContact CD1-CB 3.86Å; L371-I405 HydrophobicContact CD1-CG1 3.54Å; L371-I405 HydrophobicContact CD1-CG2 4.28Å
372F98.5Very high94.8Very high0 Ų029.4 Ų29.40%015%0.149CC..Hα-helixtrans-66.5-40.4172.8-173.2-122.1000112.1V315 E368 A374 A375 V376 L402 L419 I423 L426V315-F372 HydrophobicContact CG1-CD1 3.86Å; V315-F372 HydrophobicContact CG1-CE1 4.4Å; V315-F372 HydrophobicContact CG2-CD1 3.99Å; V315-F372 HydrophobicContact CG2-CE1 3.75Å; E368-F372 VanDerWaalsContact O-CB 3.24Å; E368-F372 WeakPolarHBondContact O-CB 3.41Å; E368-F372 PolarHBondContact O-N 3.4Å; F372-A374 PolarHBondContact O-N 3.13Å; F372-A375 PolarHBondContact O-N 2.93Å; F372-A375 VanDerWaalsContact O-N 3.16Å; F372-V376 HydrophobicContact CD1-CG2 4.32Å; F372-V376 HydrophobicContact CD2-CG2 4.15Å; F372-V376 HydrophobicContact CE1-CG2 4Å; F372-V376 HydrophobicContact CE2-CG2 3.8Å; F372-V376 HydrophobicContact CG-CG2 4.4Å; F372-V376 HydrophobicContact CZ-CG2 3.72Å; F372-V376 WeakPolarHBondContact O-CB 3.34Å; F372-V376 WeakPolarHBondContact O-CG2 3.2Å; F372-V376 PolarHBondContact O-N 3.12Å; F372-L402 HydrophobicContact CD2-CD2 4.46Å; F372-L419 HydrophobicContact CB-CD2 4.1Å; F372-L419 HydrophobicContact CD1-CD1 3.69Å; F372-L419 HydrophobicContact CD1-CG 4.27Å; F372-L419 HydrophobicContact CD2-CD1 3.98Å; F372-L419 HydrophobicContact CD2-CD2 3.84Å; F372-L419 HydrophobicContact CD2-CG 3.62Å; F372-L419 HydrophobicContact CE1-CD1 3.63Å; F372-L419 HydrophobicContact CE1-CG 4.31Å; F372-L419 HydrophobicContact CE2-CD1 3.92Å; F372-L419 HydrophobicContact CE2-CD2 4.41Å; F372-L419 HydrophobicContact CE2-CG 3.69Å; F372-L419 HydrophobicContact CG-CD1 3.87Å; F372-L419 HydrophobicContact CG-CD2 3.92Å; F372-L419 HydrophobicContact CG-CG 3.93Å; F372-L419 HydrophobicContact CZ-CD1 3.75Å; F372-L419 HydrophobicContact CZ-CG 4.04Å; F372-I423 HydrophobicContact CE2-CD1 4.11Å; F372-I423 HydrophobicContact CE2-CG1 3.97Å; F372-I423 HydrophobicContact CZ-CG1 3.94Å; F372-L426 HydrophobicContact CE1-CD1 4.36Å; F372-L426 HydrophobicContact CZ-CD1 4.43Å
373S98.6Very high94Very high0 Ų032.2 Ų32.20%017%0.169CC..Hα-helixtrans-56.5-39.6171.9-65.10000111.9V312 I369 A370 L377V312-S373 WeakPolarHBondContact CG2-O 3.38Å; I369-S373 WeakPolarHBondContact O-CB 3.48Å; I369-S373 PolarHBondContact O-N 3.06Å; I369-S373 PolarHBondContact O-OG 3.25Å; A370-S373 WeakPolarHBondContact O-CB 3.25Å; A370-S373 PolarHBondContact O-N 3.23Å; S373-L377 WeakPolarHBondContact O-CB 3.4Å; S373-L377 PolarHBondContact O-N 3.22Å; S373-L377 VanDerWaalsContact O-N 3.13Å
374A98.6Very high93.8Very high0 Ų032 Ų320%016%0.161CC..Hα-helixtrans-70.8-42.2175.800000112.1I229 F286 I290 A370 L371 F372 V376 L377 I378 I398I229-A374 HydrophobicContact CD1-CB 4.13Å; I229-A374 HydrophobicContact CG2-CB 3.8Å; F286-A374 HydrophobicContact CE1-CB 4.4Å; F286-A374 HydrophobicContact CZ-CB 4.11Å; I290-A374 HydrophobicContact CD1-CB 3.87Å; A370-A374 PolarHBondContact O-N 3.03Å; A370-A374 VanDerWaalsContact O-N 3.09Å; L371-A374 PolarHBondContact O-N 3.29Å; F372-A374 PolarHBondContact O-N 3.13Å; A374-V376 PolarHBondContact O-N 3.38Å; A374-L377 PolarHBondContact O-N 3.28Å; A374-I378 WeakPolarHBondContact O-CG1 3.43Å; A374-I378 PolarHBondContact O-N 2.93Å; A374-I398 HydrophobicContact CB-CD1 4.24Å; A374-I398 HydrophobicContact CB-CG2 3.79Å
375A97.5Very high93.6Very high0 Ų031.8 Ų31.80%016%0.161CC..Hα-helixtrans-63.7-40.9179.500000112.6L371 F372 I398 Y399L371-A375 PolarHBondContact O-N 3.42Å; F372-A375 PolarHBondContact O-N 2.93Å; F372-A375 VanDerWaalsContact O-N 3.16Å; A375-I398 HydrophobicContact CB-CG2 3.98Å; A375-Y399 HydrophobicContact CB-CD1 4.34Å; A375-Y399 HydrophobicContact CB-CE1 3.9Å; A375-Y399 HydrophobicContact CB-CE2 4.33Å
376V97Very high93.5Very high2 Ų235.2 Ų35.21%0.01217%0.174CC..Hα-helixtrans-64.2-47.3173.5169.10000110.4E311 V312 V315 F372 A374 I378 S379 I423 L426E311-V376 HydrophobicContact CB-CG1 3.54Å; E311-V376 WeakPolarHBondContact OE2-CG1 3.33Å; V312-V376 HydrophobicContact CG2-CG1 4.39Å; V315-V376 HydrophobicContact CG2-CG2 4.49Å; F372-V376 HydrophobicContact CD1-CG2 4.32Å; F372-V376 HydrophobicContact CD2-CG2 4.15Å; F372-V376 HydrophobicContact CE1-CG2 4Å; F372-V376 HydrophobicContact CE2-CG2 3.8Å; F372-V376 HydrophobicContact CG-CG2 4.4Å; F372-V376 HydrophobicContact CZ-CG2 3.72Å; F372-V376 WeakPolarHBondContact O-CB 3.34Å; F372-V376 WeakPolarHBondContact O-CG2 3.2Å; F372-V376 PolarHBondContact O-N 3.12Å; A374-V376 PolarHBondContact O-N 3.38Å; V376-I378 PolarHBondContact O-N 3.41Å; V376-S379 PolarHBondContact O-OG 3.14Å; V376-I423 HydrophobicContact CG2-CD1 4.5Å; V376-I423 HydrophobicContact CG2-CG1 4.28Å; V376-L426 HydrophobicContact CG1-CD1 4.35Å; V376-L426 HydrophobicContact CG2-CD1 4.16Å
377L97.6Very high93.5Very high0 Ų036.3 Ų36.30%018%0.179CC..Hα-helixtrans-62.7-42.8-179.4-174.561.5000113.4A287 I290 L305 V312 S373 A374 S379A287-L377 HydrophobicContact CB-CD2 3.58Å; I290-L377 HydrophobicContact CD1-CD2 4.35Å; L305-L377 HydrophobicContact CD2-CD1 4.39Å; V312-L377 HydrophobicContact CG2-CB 3.85Å; V312-L377 HydrophobicContact CG2-CD1 4.24Å; S373-L377 WeakPolarHBondContact O-CB 3.4Å; S373-L377 PolarHBondContact O-N 3.22Å; S373-L377 VanDerWaalsContact O-N 3.13Å; A374-L377 PolarHBondContact O-N 3.28Å; L377-S379 PolarHBondContact O-N 3.5Å; L377-S379 VanDerWaalsContact O-N 3.1Å
378I96.9Very high93.3Very high0 Ų036.5 Ų36.50%019%0.186CC..SBendtrans-8856.1-178.4-48.5-54.5000109.7F293 L304 A374 V376 V391 L394 Q395 I398F293-I378 HydrophobicContact CD2-CD1 3.53Å; F293-I378 HydrophobicContact CE2-CD1 3.93Å; L304-I378 HydrophobicContact CD1-CD1 4.22Å; A374-I378 WeakPolarHBondContact O-CG1 3.43Å; A374-I378 PolarHBondContact O-N 2.93Å; V376-I378 PolarHBondContact O-N 3.41Å; I378-V391 HydrophobicContact CG2-CG1 3.8Å; I378-L394 HydrophobicContact CD1-CD2 4.35Å; I378-L394 HydrophobicContact CG1-CD2 4.35Å; I378-L394 HydrophobicContact CG2-CB 4.21Å; I378-L394 HydrophobicContact CG2-CD2 4.01Å; I378-L394 HydrophobicContact CG2-CG 4.02Å; I378-Q395 HydrophobicContact CG2-CB 4.13Å; I378-Q395 WeakPolarHBondContact O-CB 3.42Å; I378-Q395 WeakPolarHBondContact O-CG 3.3Å; I378-Q395 PolarHBondContact O-NE2 2.91Å; I378-Q395 VanDerWaalsContact O-NE2 3.1Å; I378-I398 HydrophobicContact CB-CD1 4.09Å; I378-I398 HydrophobicContact CG1-CD1 3.68Å
379S90.9Very high93.2Very high9 Ų946.4 Ų46.46%0.06322%0.223CC..  trans-74.4135.8177.9-42.90000112.4L304 V376 L377 R382L304-S379 VanDerWaalsContact CD2-O 3.26Å; L304-S379 WeakPolarHBondContact CD2-O 3.38Å; V376-S379 PolarHBondContact O-OG 3.14Å; L377-S379 PolarHBondContact O-N 3.5Å; L377-S379 VanDerWaalsContact O-N 3.1Å; S379-R382 PolarHBondContact OG-NE 2.9Å; S379-R382 PolarHBondContact OG-NH2 2.8Å
380T88.1Confident93.1Very high42 Ų4249.6 Ų49.626%0.25824%0.236SC..SBendtrans-83.4-21.5170.744.10000114.4R382 V391 Q392 Q395T380-R382 PolarHBondContact O-N 2.85Å; T380-V391 HydrophobicContact CG2-CG1 4.23Å; T380-Q392 VanDerWaalsContact CG2-CA 3.44Å; T380-Q392 HydrophobicContact CG2-CB 3.67Å; T380-Q392 HydrophobicContact CG2-CG 4.2Å; T380-Q395 VanDerWaalsContact CG2-OE1 3.3Å; T380-Q395 PolarHBondContact OG1-OE1 3.14Å; T380-Q395 VanDerWaalsContact OG1-OE1 3.12Å
381D81.3Confident93Very high134 Ų13449.6 Ų49.672%0.71724%0.236SC*.  trans-7612.1-173.2-48.1-58.8000113.9
382R80.3Confident92.8Very high45 Ų4553.5 Ų53.517%0.1726%0.255CS..  trans-85.2122.2-179.2-53.2-54.7177.3168.72.6109.5L303 L304 S307 E311 S379 T380 L385L303-R382 HydrophobicContact CD2-CB 4.45Å; L304-R382 HydrophobicContact CD2-CG 4.46Å; S307-R382 VanDerWaalsContact OG-CD 3.32Å; S307-R382 WeakPolarHBondContact OG-CD 3.45Å; S307-R382 PolarHBondContact OG-NE 3.39Å; E311-R382 IonicContact OE1-CZ 2.89Å; E311-R382 IonicContact OE1-NH1 3.47Å; E311-R382 PolarHBondContact OE1-NH1 3.49Å; E311-R382 IonicContact OE1-NH2 3.82Å; E311-R382 PolarHBondContact OE1-NH2 2.77Å; E311-R382 IonicContact OE2-CZ 2.66Å; E311-R382 IonicContact OE2-NH2 2.67Å; E311-R382 PolarHBondContact OE2-NH2 3.39Å; S379-R382 PolarHBondContact OG-NE 2.9Å; S379-R382 PolarHBondContact OG-NH2 2.8Å; T380-R382 PolarHBondContact O-N 2.85Å; R382-L385 HydrophobicContact CB-CD1 4.41Å; R382-L385 HydrophobicContact CB-CG 4.37Å
383P77.6Confident92.7Very high88 Ų8860.1 Ų60.157%0.57128%0.284SS*.THydrogen-bonded Turntrans-63.3151.5173.429.6-35.2000109.4L303L303-P383 WeakPolarHBondContact CD2-O 3.34Å
384W89.3Confident92.5Very high161 Ų16161.1 Ų61.161%0.6129%0.289SS*.THydrogen-bonded Turntrans7514.7178.2-38.7104000117.1L303 M386 M470L303-W384 HydrophobicContact CD2-CB 4.35Å; W384-M386 PolarHBondContact O-N 3.31Å; W384-M470 HydrophobicContact CD2-SD 4.34Å; W384-M470 HydrophobicContact CZ2-SD 4.48Å
385L92.1Very high92.4Very high22 Ų2261.9 Ų61.912%0.11529%0.292CS..  trans-61130165.4-76.6172.3000111.2D300 L303 L304 R382 P388 V391D300-L385 HydrophobicContact CB-CD2 3.98Å; D300-L385 WeakPolarHBondContact OD1-CA 3.27Å; L303-L385 HydrophobicContact CD2-CD2 3.96Å; L303-L385 HydrophobicContact CD2-CG 4.08Å; L304-L385 HydrophobicContact CD2-CD2 4.41Å; L304-L385 HydrophobicContact CG-CD2 4.45Å; R382-L385 HydrophobicContact CB-CD1 4.41Å; R382-L385 HydrophobicContact CB-CG 4.37Å; L385-P388 HydrophobicContact CB-CB 4.04Å; L385-P388 HydrophobicContact CD1-CB 4.45Å; L385-V391 HydrophobicContact CD1-CB 4.43Å; L385-V391 HydrophobicContact CD1-CG1 4.28Å; L385-V391 HydrophobicContact CD2-CG2 4Å
386M93.6Very high92.3Very high128 Ų12864.9 Ų64.963%0.63131%0.306SS*.SBendtrans-82.6-41178.8-61.7-63-55.500111.9N299 D300 W384 P388N299-M386 HydrophobicContact CB-CG 4.1Å; D300-M386 PolarHBondContact OD1-N 3.1Å; W384-M386 PolarHBondContact O-N 3.31Å; M386-P388 VanDerWaalsContact O-CD 3.29Å; M386-P388 WeakPolarHBondContact O-CD 3.43Å
387E94.4Very high92.2Very high66 Ų6668.2 Ų68.231%0.30832%0.32SS..SBendtrans-114.655.4176.9-57.1-174.69400112.3C297 D300 R389 K390 V391C297-E387 PolarHBondContact N-OE2 2.99Å; D300-E387 WeakPolarHBondContact OD2-CB 3.37Å; D300-E387 PolarHBondContact OD2-N 3.26Å; E387-R389 VanDerWaalsContact C-N 3.28Å; E387-R389 PolarHBondContact O-N 3.17Å; E387-R389 VanDerWaalsContact O-N 3.13Å; E387-K390 HydrophobicContact CB-CB 3.88Å; E387-K390 HydrophobicContact CB-CD 4.1Å; E387-K390 VanDerWaalsContact CD-CD 3.44Å; E387-K390 HydrophobicContact CG-CD 4.4Å; E387-K390 WeakPolarHBondContact O-CA 3.24Å; E387-K390 VanDerWaalsContact O-CB 3.32Å; E387-K390 WeakPolarHBondContact O-CB 3.45Å; E387-K390 PolarHBondContact O-N 3.27Å; E387-K390 WeakPolarHBondContact OE1-CD 3.43Å; E387-K390 IonicContact OE1-NZ 3.39Å; E387-K390 PolarHBondContact OE1-NZ 3.27Å; E387-K390 WeakPolarHBondContact OE2-CD 3.45Å; E387-K390 IonicContact OE2-NZ 2.91Å; E387-K390 PolarHBondContact OE2-NZ 2.94Å; E387-V391 PolarHBondContact O-N 2.94Å
388P94.6Very high92.2Very high62 Ų6268.2 Ų68.240%0.40332%0.32SS..Hα-helixtrans-58.3-36.6-170.222.8-33.5000113.1L385 M386 K390 V391 Q392L385-P388 HydrophobicContact CB-CB 4.04Å; L385-P388 HydrophobicContact CD1-CB 4.45Å; M386-P388 VanDerWaalsContact O-CD 3.29Å; M386-P388 WeakPolarHBondContact O-CD 3.43Å; P388-K390 PolarHBondContact O-N 3Å; P388-V391 PolarHBondContact O-N 3.24Å; P388-Q392 VanDerWaalsContact O-CB 3.32Å; P388-Q392 WeakPolarHBondContact O-CB 3.22Å; P388-Q392 PolarHBondContact O-N 3.15Å
389R94.9Very high92.2Very high209 Ų20968.9 Ų68.979%0.78932%0.323SS*.Hα-helixtrans-63.3-24.4175.3-65.9-178.8179.1172.5-0.3114E387 K393E387-R389 VanDerWaalsContact C-N 3.28Å; E387-R389 PolarHBondContact O-N 3.17Å; E387-R389 VanDerWaalsContact O-N 3.13Å; R389-K393 VanDerWaalsContact O-CG 3.32Å; R389-K393 WeakPolarHBondContact O-CG 3.38Å; R389-K393 PolarHBondContact O-N 3.41Å
390K95.4Very high92.4Very high73 Ų7369.3 Ų69.332%0.31732%0.324SS..Hα-helixtrans-87.2-39.9-179.6-171.2-178.2173.8-175.90110.5E295 L296 E387 P388 K393 L394E295-K390 VanDerWaalsContact O-CE 3.24Å; E295-K390 WeakPolarHBondContact O-CE 3.43Å; E295-K390 PolarHBondContact O-NZ 2.82Å; L296-K390 HydrophobicContact CD2-CB 4.32Å; L296-K390 HydrophobicContact CD2-CD 3.97Å; L296-K390 HydrophobicContact CD2-CG 3.8Å; E387-K390 HydrophobicContact CB-CB 3.88Å; E387-K390 HydrophobicContact CB-CD 4.1Å; E387-K390 VanDerWaalsContact CD-CD 3.44Å; E387-K390 HydrophobicContact CG-CD 4.4Å; E387-K390 WeakPolarHBondContact O-CA 3.24Å; E387-K390 VanDerWaalsContact O-CB 3.32Å; E387-K390 WeakPolarHBondContact O-CB 3.45Å; E387-K390 PolarHBondContact O-N 3.27Å; E387-K390 WeakPolarHBondContact OE1-CD 3.43Å; E387-K390 IonicContact OE1-NZ 3.39Å; E387-K390 PolarHBondContact OE1-NZ 3.27Å; E387-K390 WeakPolarHBondContact OE2-CD 3.45Å; E387-K390 IonicContact OE2-NZ 2.91Å; E387-K390 PolarHBondContact OE2-NZ 2.94Å; P388-K390 PolarHBondContact O-N 3Å; K390-K393 PolarHBondContact O-N 3.49Å; K390-L394 PolarHBondContact O-N 3.2Å; K390-L394 VanDerWaalsContact O-N 3.1Å
391V96.6Very high92.8Very high0 Ų067.3 Ų67.30%031%0.312CS..Hα-helixtrans-59.2-47168.1178.60000110.4L296 L304 I378 T380 L385 E387 P388 K393 L394 Q395L296-V391 HydrophobicContact CD1-CG2 4.1Å; L296-V391 HydrophobicContact CD2-CG2 3.98Å; L304-V391 HydrophobicContact CD1-CG1 4.21Å; L304-V391 HydrophobicContact CD1-CG2 4.31Å; L304-V391 HydrophobicContact CD2-CG1 4.23Å; I378-V391 HydrophobicContact CG2-CG1 3.8Å; T380-V391 HydrophobicContact CG2-CG1 4.23Å; L385-V391 HydrophobicContact CD1-CB 4.43Å; L385-V391 HydrophobicContact CD1-CG1 4.28Å; L385-V391 HydrophobicContact CD2-CG2 4Å; E387-V391 PolarHBondContact O-N 2.94Å; P388-V391 PolarHBondContact O-N 3.24Å; V391-K393 PolarHBondContact O-N 3.5Å; V391-L394 WeakPolarHBondContact O-CB 3.31Å; V391-L394 PolarHBondContact O-N 2.84Å; V391-L394 VanDerWaalsContact O-N 3.11Å; V391-Q395 PolarHBondContact O-N 3.04Å
392Q95.6Very high93.6Very high82 Ų8260.9 Ų60.938%0.38328%0.277SS..Hα-helixtrans-55.7-50.9175.4-175.3-174.8-12.900112.2T380 P388 L394 Q395 E396T380-Q392 VanDerWaalsContact CG2-CA 3.44Å; T380-Q392 HydrophobicContact CG2-CB 3.67Å; T380-Q392 HydrophobicContact CG2-CG 4.2Å; P388-Q392 VanDerWaalsContact O-CB 3.32Å; P388-Q392 WeakPolarHBondContact O-CB 3.22Å; P388-Q392 PolarHBondContact O-N 3.15Å; Q392-L394 PolarHBondContact O-N 3.16Å; Q392-Q395 WeakPolarHBondContact O-CB 3.33Å; Q392-Q395 PolarHBondContact O-N 3.42Å; Q392-Q395 VanDerWaalsContact O-N 3.08Å; Q392-E396 HydrophobicContact CG-CG 4.31Å; Q392-E396 WeakPolarHBondContact CG-OE1 3.39Å; Q392-E396 PolarHBondContact NE2-OE1 3.01Å; Q392-E396 WeakPolarHBondContact O-CB 3.43Å; Q392-E396 WeakPolarHBondContact O-CG 3.37Å; Q392-E396 PolarHBondContact O-N 2.92Å
393K95Very high94.3Very high140 Ų14061.4 Ų61.461%0.60928%0.282SS*.Hα-helixtrans-60.5-31.4177.2-77.3176.9178.6-172.10113.7R389 K390 V391 K397R389-K393 VanDerWaalsContact O-CG 3.32Å; R389-K393 WeakPolarHBondContact O-CG 3.38Å; R389-K393 PolarHBondContact O-N 3.41Å; K390-K393 PolarHBondContact O-N 3.49Å; V391-K393 PolarHBondContact O-N 3.5Å; K393-K397 WeakPolarHBondContact O-CG 3.39Å; K393-K397 PolarHBondContact O-N 2.9Å
394L96.1Very high95.1Very high21 Ų2158.9 Ų58.911%0.1126%0.262CS..Hα-helixtrans-72.4-44.2173.7-179.658.5000110.6S291 L296 I378 K390 V391 Q392 K397 I398S291-L394 VanDerWaalsContact O-CD1 3.29Å; S291-L394 WeakPolarHBondContact O-CD1 3.41Å; L296-L394 HydrophobicContact CD1-CD2 4.26Å; I378-L394 HydrophobicContact CD1-CD2 4.35Å; I378-L394 HydrophobicContact CG1-CD2 4.35Å; I378-L394 HydrophobicContact CG2-CB 4.21Å; I378-L394 HydrophobicContact CG2-CD2 4.01Å; I378-L394 HydrophobicContact CG2-CG 4.02Å; K390-L394 PolarHBondContact O-N 3.2Å; K390-L394 VanDerWaalsContact O-N 3.1Å; V391-L394 WeakPolarHBondContact O-CB 3.31Å; V391-L394 PolarHBondContact O-N 2.84Å; V391-L394 VanDerWaalsContact O-N 3.11Å; Q392-L394 PolarHBondContact O-N 3.16Å; L394-K397 PolarHBondContact O-N 3.25Å; L394-I398 HydrophobicContact CD1-CD1 4.27Å; L394-I398 HydrophobicContact CG-CD1 4.06Å; L394-I398 WeakPolarHBondContact O-CD1 3.42Å; L394-I398 VanDerWaalsContact O-CG1 3.28Å; L394-I398 WeakPolarHBondContact O-CG1 3.3Å; L394-I398 PolarHBondContact O-N 3.48Å; L394-I398 VanDerWaalsContact O-N 3.11Å
395Q96.4Very high95.4Very high15 Ų1551.2 Ų51.27%0.0723%0.233CC..Hα-helixtrans-63-45.5178-163-172.23100112.4I378 T380 V391 Q392 K397 I398 Y399I378-Q395 HydrophobicContact CG2-CB 4.13Å; I378-Q395 WeakPolarHBondContact O-CB 3.42Å; I378-Q395 WeakPolarHBondContact O-CG 3.3Å; I378-Q395 PolarHBondContact O-NE2 2.91Å; I378-Q395 VanDerWaalsContact O-NE2 3.1Å; T380-Q395 VanDerWaalsContact CG2-OE1 3.3Å; T380-Q395 PolarHBondContact OG1-OE1 3.14Å; T380-Q395 VanDerWaalsContact OG1-OE1 3.12Å; V391-Q395 PolarHBondContact O-N 3.04Å; Q392-Q395 WeakPolarHBondContact O-CB 3.33Å; Q392-Q395 PolarHBondContact O-N 3.42Å; Q392-Q395 VanDerWaalsContact O-N 3.08Å; Q395-K397 VanDerWaalsContact C-N 3.33Å; Q395-K397 PolarHBondContact O-N 3.1Å; Q395-I398 WeakPolarHBondContact O-CB 3.28Å; Q395-I398 PolarHBondContact O-N 3.04Å; Q395-Y399 HydrophobicContact CG-CD2 3.84Å; Q395-Y399 HydrophobicContact CG-CE2 3.67Å; Q395-Y399 WeakPolarHBondContact O-CD2 3.39Å; Q395-Y399 PolarHBondContact O-N 2.98Å
396E95Very high95.5Very high63 Ų6350.6 Ų50.629%0.29423%0.23SC..Hα-helixtrans-54.4-48.4175.2-74.8167.3177.100111.1Q392 I398 Y399 F400Q392-E396 HydrophobicContact CG-CG 4.31Å; Q392-E396 WeakPolarHBondContact CG-OE1 3.39Å; Q392-E396 PolarHBondContact NE2-OE1 3.01Å; Q392-E396 WeakPolarHBondContact O-CB 3.43Å; Q392-E396 WeakPolarHBondContact O-CG 3.37Å; Q392-E396 PolarHBondContact O-N 2.92Å; E396-I398 VanDerWaalsContact C-N 3.3Å; E396-I398 PolarHBondContact O-N 3.17Å; E396-Y399 PolarHBondContact O-N 3.36Å; E396-F400 HydrophobicContact CB-CE2 4.1Å; E396-F400 WeakPolarHBondContact O-CD2 3.37Å; E396-F400 WeakPolarHBondContact O-CG 3.39Å; E396-F400 PolarHBondContact O-N 3.43Å
397K95.3Very high95.5Very high72 Ų7250.1 Ų50.131%0.31323%0.226SC..Hα-helixtrans-60.5-37.2175.8-76.9-174.4177.5-154.20113.2E221 I225 K393 L394 Q395 A401E221-K397 IonicContact OE1-NZ 2.75Å; E221-K397 PolarHBondContact OE1-NZ 3.01Å; I225-K397 HydrophobicContact CD1-CB 4.12Å; I225-K397 HydrophobicContact CD1-CD 3.99Å; I225-K397 HydrophobicContact CD1-CG 4.39Å; K393-K397 WeakPolarHBondContact O-CG 3.39Å; K393-K397 PolarHBondContact O-N 2.9Å; L394-K397 PolarHBondContact O-N 3.25Å; Q395-K397 VanDerWaalsContact C-N 3.33Å; Q395-K397 PolarHBondContact O-N 3.1Å; K397-A401 WeakPolarHBondContact O-CB 3.27Å; K397-A401 PolarHBondContact O-N 3.38Å
398I97.3Very high95.4Very high0 Ų051.7 Ų51.70%023%0.232CC..Hα-helixtrans-69.6-41.2176.4-64.5162.1000110.5I229 I290 L371 A374 A375 I378 L394 Q395 E396 A401 L402I229-I398 HydrophobicContact CD1-CG1 3.88Å; I229-I398 HydrophobicContact CD1-CG2 4.29Å; I290-I398 HydrophobicContact CG2-CD1 4.46Å; L371-I398 HydrophobicContact CD2-CG2 4.45Å; A374-I398 HydrophobicContact CB-CD1 4.24Å; A374-I398 HydrophobicContact CB-CG2 3.79Å; A375-I398 HydrophobicContact CB-CG2 3.98Å; I378-I398 HydrophobicContact CB-CD1 4.09Å; I378-I398 HydrophobicContact CG1-CD1 3.68Å; L394-I398 HydrophobicContact CD1-CD1 4.27Å; L394-I398 HydrophobicContact CG-CD1 4.06Å; L394-I398 WeakPolarHBondContact O-CD1 3.42Å; L394-I398 VanDerWaalsContact O-CG1 3.28Å; L394-I398 WeakPolarHBondContact O-CG1 3.3Å; L394-I398 PolarHBondContact O-N 3.48Å; L394-I398 VanDerWaalsContact O-N 3.11Å; Q395-I398 WeakPolarHBondContact O-CB 3.28Å; Q395-I398 PolarHBondContact O-N 3.04Å; E396-I398 VanDerWaalsContact C-N 3.3Å; E396-I398 PolarHBondContact O-N 3.17Å; I398-A401 PolarHBondContact O-N 2.97Å; I398-L402 WeakPolarHBondContact O-CB 3.27Å; I398-L402 PolarHBondContact O-N 3.45Å
399Y96.1Very high95.3Very high14 Ų1451.4 Ų51.46%0.05523%0.227CC..Hα-helixtrans-65.6-41.5175.7-85-63.3000112.8A375 Q395 E396 A401 L402 Q403 I420A375-Y399 HydrophobicContact CB-CD1 4.34Å; A375-Y399 HydrophobicContact CB-CE1 3.9Å; A375-Y399 HydrophobicContact CB-CE2 4.33Å; Q395-Y399 HydrophobicContact CG-CD2 3.84Å; Q395-Y399 HydrophobicContact CG-CE2 3.67Å; Q395-Y399 WeakPolarHBondContact O-CD2 3.39Å; Q395-Y399 PolarHBondContact O-N 2.98Å; E396-Y399 PolarHBondContact O-N 3.36Å; Y399-A401 VanDerWaalsContact C-N 3.32Å; Y399-A401 PolarHBondContact O-N 2.95Å; Y399-L402 HydrophobicContact CD1-CD2 4.29Å; Y399-L402 HydrophobicContact CE1-CD2 4.49Å; Y399-L402 PolarHBondContact O-N 3.01Å; Y399-Q403 WeakPolarHBondContact O-CB 3.44Å; Y399-Q403 PolarHBondContact O-N 3.36Å; Y399-I420 HydrophobicContact CD1-CD1 4.36Å; Y399-I420 HydrophobicContact CE1-CD1 3.84Å; Y399-I420 HydrophobicContact CE1-CG1 4.03Å
400F95.5Very high95.2Very high18 Ų1849.7 Ų49.78%0.07923%0.227CC..Hα-helixtrans-64.2-37.2173.7-63.1-46.6000112L201 H215 L222 E396 H404L201-F400 HydrophobicContact CD2-CE1 4.43Å; L201-F400 HydrophobicContact CG-CE1 4.21Å; H215-F400 AromaticContact CD2-CE2 3.98Å; H215-F400 AromaticContact CD2-CZ 3.48Å; H215-F400 VanDerWaalsContact CD2-CZ 3.48Å; H215-F400 WeakPolarHBondContact CD2-CZ 3.31Å; L222-F400 HydrophobicContact CD1-CB 4.32Å; L222-F400 HydrophobicContact CD2-CB 3.63Å; E396-F400 HydrophobicContact CB-CE2 4.1Å; E396-F400 WeakPolarHBondContact O-CD2 3.37Å; E396-F400 WeakPolarHBondContact O-CG 3.39Å; E396-F400 PolarHBondContact O-N 3.43Å; F400-H404 WeakPolarHBondContact O-CB 3.37Å; F400-H404 PolarHBondContact O-N 3.48Å
401A96.9Very high94.9Very high0 Ų049 Ų490%023%0.226CC..Hα-helixtrans-66.6-40.817300000112.4I225 A226 L371 K397 I398 Y399 H404 I405I225-A401 HydrophobicContact CG2-CB 4.05Å; A226-A401 HydrophobicContact CB-CB 4.31Å; L371-A401 HydrophobicContact CD2-CB 3.83Å; K397-A401 WeakPolarHBondContact O-CB 3.27Å; K397-A401 PolarHBondContact O-N 3.38Å; I398-A401 PolarHBondContact O-N 2.97Å; Y399-A401 VanDerWaalsContact C-N 3.32Å; Y399-A401 PolarHBondContact O-N 2.95Å; A401-H404 PolarHBondContact O-N 3.47Å; A401-I405 WeakPolarHBondContact O-CG1 3.3Å; A401-I405 PolarHBondContact O-N 3.34Å
402L97.1Very high94.6Very high0 Ų054.1 Ų54.10%025%0.253CS..Hα-helixtrans-60.9-49.8173.9177.858.6000111.3L371 F372 I398 Y399 H404 I405 M406 L416 L419L371-L402 HydrophobicContact CB-CB 4.02Å; L371-L402 HydrophobicContact CB-CD1 3.67Å; L371-L402 HydrophobicContact CB-CG 4.37Å; F372-L402 HydrophobicContact CD2-CD2 4.46Å; I398-L402 WeakPolarHBondContact O-CB 3.27Å; I398-L402 PolarHBondContact O-N 3.45Å; Y399-L402 HydrophobicContact CD1-CD2 4.29Å; Y399-L402 HydrophobicContact CE1-CD2 4.49Å; Y399-L402 PolarHBondContact O-N 3.01Å; L402-H404 VanDerWaalsContact C-N 3.35Å; L402-H404 PolarHBondContact O-N 3.21Å; L402-I405 PolarHBondContact O-N 3.02Å; L402-M406 HydrophobicContact CD1-CG 4.09Å; L402-M406 HydrophobicContact CD1-SD 3.89Å; L402-M406 HydrophobicContact CG-SD 4Å; L402-M406 WeakPolarHBondContact O-CG 3.44Å; L402-M406 PolarHBondContact O-N 2.97Å; L402-L416 HydrophobicContact CD2-CD1 3.74Å; L402-L416 HydrophobicContact CG-CD1 4.06Å; L402-L419 HydrophobicContact CD2-CD2 4.39Å
403Q95.4Very high94.2Very high55 Ų5559.9 Ų59.926%0.25728%0.28SS..Hα-helixtrans-59.6-44.3178.5-172.1178.321.200111.7Y399 M406 Q407 L416Y399-Q403 WeakPolarHBondContact O-CB 3.44Å; Y399-Q403 PolarHBondContact O-N 3.36Å; Q403-M406 PolarHBondContact O-N 2.69Å; Q403-Q407 WeakPolarHBondContact O-CB 3.23Å; Q403-Q407 VanDerWaalsContact O-CG 3.29Å; Q403-Q407 WeakPolarHBondContact O-CG 3.29Å; Q403-Q407 PolarHBondContact O-N 3.32Å; Q403-L416 HydrophobicContact CB-CD2 4.05Å; Q403-L416 HydrophobicContact CG-CD2 4.08Å
404H93.9Very high94Very high36 Ų3656.9 Ų56.917%0.16727%0.271CS..Hα-helixtrans-60.2-46.1176.1173.155.9000112.4M219 L222 D223 F400 A401 L402 Q407 K408M219-H404 WeakPolarHBondContact CE-CE1 3.5Å; M219-H404 VanDerWaalsContact CE-ND1 3.3Å; M219-H404 WeakPolarHBondContact CE-ND1 3.28Å; L222-H404 HydrophobicContact CD1-CB 4.44Å; D223-H404 IonicContact OD1-CD2 3.03Å; D223-H404 IonicContact OD1-NE2 2.68Å; D223-H404 PolarHBondContact OD1-NE2 2.68Å; D223-H404 IonicContact OD2-NE2 2.98Å; D223-H404 PolarHBondContact OD2-NE2 3.33Å; F400-H404 WeakPolarHBondContact O-CB 3.37Å; F400-H404 PolarHBondContact O-N 3.48Å; A401-H404 PolarHBondContact O-N 3.47Å; L402-H404 VanDerWaalsContact C-N 3.35Å; L402-H404 PolarHBondContact O-N 3.21Å; H404-Q407 PolarHBondContact O-N 3.15Å; H404-K408 VanDerWaalsContact O-CB 3.24Å; H404-K408 WeakPolarHBondContact O-CB 3.25Å; H404-K408 PolarHBondContact O-N 2.83Å
405I95.8Very high93.8Very high0 Ų056.2 Ų56.20%027%0.269CS..Hα-helixtrans-66.2-42.4177.8-67.7-55.6000111.8A226 E367 E368 L371 A401 L402 Q407 K408 N409A226-I405 HydrophobicContact CB-CD1 4.03Å; A226-I405 HydrophobicContact CB-CG1 3.83Å; E367-I405 HydrophobicContact CB-CG2 3.84Å; E368-I405 HydrophobicContact CG-CG2 4.29Å; L371-I405 HydrophobicContact CD1-CB 3.86Å; L371-I405 HydrophobicContact CD1-CG1 3.54Å; L371-I405 HydrophobicContact CD1-CG2 4.28Å; A401-I405 WeakPolarHBondContact O-CG1 3.3Å; A401-I405 PolarHBondContact O-N 3.34Å; L402-I405 PolarHBondContact O-N 3.02Å; I405-Q407 VanDerWaalsContact C-N 3.35Å; I405-Q407 PolarHBondContact O-N 3Å; I405-K408 HydrophobicContact CD1-CD 4.08Å; I405-K408 WeakPolarHBondContact O-CB 3.48Å; I405-K408 PolarHBondContact O-N 2.63Å; I405-N409 WeakPolarHBondContact O-CB 3.42Å; I405-N409 VanDerWaalsContact O-CG 3.29Å; I405-N409 PolarHBondContact O-N 3.13Å
406M94.8Very high93.7Very high8 Ų856.2 Ų56.24%0.03927%0.269CS..Hα-helixtrans-61.4-41.9176.6-70.3-178.479.900112.1E368 L402 Q403 N409 H410 M411 A415 L416 L419E368-M406 HydrophobicContact CG-CG 3.85Å; L402-M406 HydrophobicContact CD1-CG 4.09Å; L402-M406 HydrophobicContact CD1-SD 3.89Å; L402-M406 HydrophobicContact CG-SD 4Å; L402-M406 WeakPolarHBondContact O-CG 3.44Å; L402-M406 PolarHBondContact O-N 2.97Å; Q403-M406 PolarHBondContact O-N 2.69Å; M406-N409 PolarHBondContact O-N 2.79Å; M406-H410 PolarHBondContact O-N 2.79Å; M406-M411 HydrophobicContact CB-CB 4.24Å; M406-M411 HydrophobicContact CB-CG 4.38Å; M406-M411 HydrophobicContact CE-CB 4.4Å; M406-M411 WeakPolarHBondContact O-CB 3.44Å; M406-M411 PolarHBondContact O-N 2.81Å; M406-A415 HydrophobicContact CE-CB 3.54Å; M406-L416 HydrophobicContact CE-CB 4.38Å; M406-L416 HydrophobicContact SD-CB 4.1Å; M406-L416 HydrophobicContact SD-CD1 3.97Å; M406-L419 HydrophobicContact CE-CD2 4.44Å; M406-L419 HydrophobicContact SD-CD2 4.29Å
407Q92.6Very high93.7Very high119 Ų11956 Ų5656%0.55628%0.278SS*.Hα-helixtrans-64.5-42.6174.6-73.9172.5-11.800112.1Q403 H404 I405 N409 H410Q403-Q407 WeakPolarHBondContact O-CB 3.23Å; Q403-Q407 VanDerWaalsContact O-CG 3.29Å; Q403-Q407 WeakPolarHBondContact O-CG 3.29Å; Q403-Q407 PolarHBondContact O-N 3.32Å; H404-Q407 PolarHBondContact O-N 3.15Å; I405-Q407 VanDerWaalsContact C-N 3.35Å; I405-Q407 PolarHBondContact O-N 3Å; Q407-N409 VanDerWaalsContact C-N 3.29Å; Q407-N409 PolarHBondContact O-N 3.42Å; Q407-H410 PolarHBondContact O-N 2.87Å; Q407-H410 VanDerWaalsContact O-N 3.07Å
408K92.8Very high93.7Very high98 Ų9856.1 Ų56.143%0.42628%0.279SS..Hα-helixtrans-63.6-32.8176.5-179.9-174.3175.5-170.40112.7H404 I405 H410H404-K408 VanDerWaalsContact O-CB 3.24Å; H404-K408 WeakPolarHBondContact O-CB 3.25Å; H404-K408 PolarHBondContact O-N 2.83Å; I405-K408 HydrophobicContact CD1-CD 4.08Å; I405-K408 WeakPolarHBondContact O-CB 3.48Å; I405-K408 PolarHBondContact O-N 2.63Å; K408-H410 VanDerWaalsContact C-N 3.25Å; K408-H410 PolarHBondContact O-N 3.24Å
409N93.1Very high93.6Very high57 Ų5756.1 Ų56.131%0.30528%0.279SS..THydrogen-bonded Turntrans-83.42.9174.8-68.2-13.3000113.4T365 E368 I405 M406 Q407 M411T365-N409 PolarHBondContact OG1-ND2 3.27Å; E368-N409 WeakPolarHBondContact OE1-CB 3.43Å; E368-N409 PolarHBondContact OE1-ND2 2.98Å; I405-N409 WeakPolarHBondContact O-CB 3.42Å; I405-N409 VanDerWaalsContact O-CG 3.29Å; I405-N409 PolarHBondContact O-N 3.13Å; M406-N409 PolarHBondContact O-N 2.79Å; Q407-N409 VanDerWaalsContact C-N 3.29Å; Q407-N409 PolarHBondContact O-N 3.42Å; N409-M411 VanDerWaalsContact C-N 3.3Å; N409-M411 HydrophobicContact CB-CG 4.43Å; N409-M411 PolarHBondContact O-N 2.86Å
410H92.2Very high93.5Very high172 Ų17257.1 Ų57.180%0.79628%0.284SS*.THydrogen-bonded Turntrans59.933.5-179.2-51.4-59.5000114.5M406 Q407 K408M406-H410 PolarHBondContact O-N 2.79Å; Q407-H410 PolarHBondContact O-N 2.87Å; Q407-H410 VanDerWaalsContact O-N 3.07Å; K408-H410 VanDerWaalsContact C-N 3.25Å; K408-H410 PolarHBondContact O-N 3.24Å
411M90.6Very high93.6Very high58 Ų5858.9 Ų58.929%0.28630%0.299SS..  trans-67.2151.3170.7-66.5-63-68.400111.5M406 N409 A415M406-M411 HydrophobicContact CB-CB 4.24Å; M406-M411 HydrophobicContact CB-CG 4.38Å; M406-M411 HydrophobicContact CE-CB 4.4Å; M406-M411 WeakPolarHBondContact O-CB 3.44Å; M406-M411 PolarHBondContact O-N 2.81Å; N409-M411 VanDerWaalsContact C-N 3.3Å; N409-M411 HydrophobicContact CB-CG 4.43Å; N409-M411 PolarHBondContact O-N 2.86Å; M411-A415 HydrophobicContact CB-CB 4.01Å; M411-A415 HydrophobicContact CE-CB 4.01Å
412D89.4Confident93.5Very high108 Ų10861.9 Ų61.958%0.57831%0.31SS*.  trans-52.6146.4175.2-61.4-32.6000112D414 A415 K418D412-D414 WeakPolarHBondContact CB-OD1 3.14Å; D412-D414 PolarHBondContact O-N 3.47Å; D412-D414 VanDerWaalsContact O-N 3.12Å; D412-A415 HydrophobicContact CB-CB 4.3Å; D412-A415 WeakPolarHBondContact O-CB 3.42Å; D412-A415 PolarHBondContact O-N 3.4Å; D412-K418 IonicContact OD2-NZ 2.11Å
413E86.2Confident93.5Very high203 Ų20363.6 Ų63.695%0.94932%0.319SS*.THydrogen-bonded Turntrans-57.7-30.3179.7-64.7-172.2157.600113.3
414D91.6Very high93.5Very high77 Ų7765.2 Ų65.241%0.41233%0.334SS..THydrogen-bonded Turntrans-88.9-3.1177.975.7-17.8000113.7D412 L416 A417 K418D412-D414 WeakPolarHBondContact CB-OD1 3.14Å; D412-D414 PolarHBondContact O-N 3.47Å; D412-D414 VanDerWaalsContact O-N 3.12Å; D414-L416 VanDerWaalsContact C-N 3.3Å; D414-L416 PolarHBondContact O-N 3.16Å; D414-A417 WeakPolarHBondContact O-CB 3.46Å; D414-A417 PolarHBondContact O-N 3.45Å; D414-A417 VanDerWaalsContact O-N 3.08Å; D414-K418 VanDerWaalsContact CG-CE 3.45Å; D414-K418 WeakPolarHBondContact O-CG 3.34Å; D414-K418 PolarHBondContact O-N 3.5Å; D414-K418 WeakPolarHBondContact OD1-CE 3.49Å; D414-K418 IonicContact OD1-NZ 2.8Å; D414-K418 PolarHBondContact OD1-NZ 2.82Å; D414-K418 WeakPolarHBondContact OD2-CE 3.06Å; D414-K418 IonicContact OD2-NZ 2.67Å; D414-K418 PolarHBondContact OD2-NZ 3.49Å
415A92.4Very high93.6Very high7 Ų766.5 Ų66.56%0.05835%0.345CS..Hα-helixtrans-60.9-37.8-177.900000112.4M406 M411 D412 K418 L419M406-A415 HydrophobicContact CE-CB 3.54Å; M411-A415 HydrophobicContact CB-CB 4.01Å; M411-A415 HydrophobicContact CE-CB 4.01Å; D412-A415 HydrophobicContact CB-CB 4.3Å; D412-A415 WeakPolarHBondContact O-CB 3.42Å; D412-A415 PolarHBondContact O-N 3.4Å; A415-K418 PolarHBondContact O-N 3.5Å; A415-L419 VanDerWaalsContact O-CB 3.3Å; A415-L419 WeakPolarHBondContact O-CB 3.45Å; A415-L419 PolarHBondContact O-N 2.79Å
416L93.6Very high93.6Very high16 Ų1666.5 Ų66.58%0.08435%0.345CS..Hα-helixtrans-65.1-40.1175179.960.3000111.5L402 Q403 M406 D414 L419 I420L402-L416 HydrophobicContact CD2-CD1 3.74Å; L402-L416 HydrophobicContact CG-CD1 4.06Å; Q403-L416 HydrophobicContact CB-CD2 4.05Å; Q403-L416 HydrophobicContact CG-CD2 4.08Å; M406-L416 HydrophobicContact CE-CB 4.38Å; M406-L416 HydrophobicContact SD-CB 4.1Å; M406-L416 HydrophobicContact SD-CD1 3.97Å; D414-L416 VanDerWaalsContact C-N 3.3Å; D414-L416 PolarHBondContact O-N 3.16Å; L416-L419 PolarHBondContact O-N 3.28Å; L416-I420 HydrophobicContact CD1-CD1 3.9Å; L416-I420 HydrophobicContact CD1-CG1 4.22Å; L416-I420 HydrophobicContact CG-CD1 3.91Å; L416-I420 WeakPolarHBondContact O-CB 3.16Å; L416-I420 VanDerWaalsContact O-CG1 3.31Å; L416-I420 WeakPolarHBondContact O-CG1 3.41Å; L416-I420 PolarHBondContact O-N 3.14Å
417A94.6Very high93.7Very high58 Ų5868 Ų6848%0.47936%0.356SS..Hα-helixtrans-68-43.1176.400000111.7D414 L419 I420 S421D414-A417 WeakPolarHBondContact O-CB 3.46Å; D414-A417 PolarHBondContact O-N 3.45Å; D414-A417 VanDerWaalsContact O-N 3.08Å; A417-L419 VanDerWaalsContact C-N 3.27Å; A417-L419 PolarHBondContact O-N 2.79Å; A417-I420 PolarHBondContact O-N 3.48Å; A417-S421 WeakPolarHBondContact O-CB 3.41Å; A417-S421 PolarHBondContact O-N 3.2Å
418K95.4Very high93.9Very high75 Ų7565.1 Ų65.133%0.32635%0.353SS..Hα-helixtrans-55.2-42.8171.2-73.6165.6173.8150.60111.2L362 D412 D414 A415 S421L362-K418 HydrophobicContact CD2-CB 4.13Å; L362-K418 HydrophobicContact CD2-CD 4.5Å; D412-K418 IonicContact OD2-NZ 2.11Å; D414-K418 VanDerWaalsContact CG-CE 3.45Å; D414-K418 WeakPolarHBondContact O-CG 3.34Å; D414-K418 PolarHBondContact O-N 3.5Å; D414-K418 WeakPolarHBondContact OD1-CE 3.49Å; D414-K418 IonicContact OD1-NZ 2.8Å; D414-K418 PolarHBondContact OD1-NZ 2.82Å; D414-K418 WeakPolarHBondContact OD2-CE 3.06Å; D414-K418 IonicContact OD2-NZ 2.67Å; D414-K418 PolarHBondContact OD2-NZ 3.49Å; A415-K418 PolarHBondContact O-N 3.5Å; K418-S421 PolarHBondContact O-OG 3.43Å
419L95.6Very high94.1Very high0 Ų060.8 Ų60.80%033%0.334CS..Hα-helixtrans-69.6-47.7179.8-176.755000112.5L359 L362 L364 F372 L402 M406 A415 L416 A417 S421 R422L359-L419 HydrophobicContact CD1-CD1 3.86Å; L362-L419 HydrophobicContact CD1-CB 4.33Å; L362-L419 HydrophobicContact CD1-CD1 4Å; L364-L419 HydrophobicContact CD1-CD1 3.74Å; L364-L419 HydrophobicContact CD1-CD2 4.39Å; L364-L419 HydrophobicContact CD2-CD2 4.29Å; F372-L419 HydrophobicContact CB-CD2 4.1Å; F372-L419 HydrophobicContact CD1-CD1 3.69Å; F372-L419 HydrophobicContact CD1-CG 4.27Å; F372-L419 HydrophobicContact CD2-CD1 3.98Å; F372-L419 HydrophobicContact CD2-CD2 3.84Å; F372-L419 HydrophobicContact CD2-CG 3.62Å; F372-L419 HydrophobicContact CE1-CD1 3.63Å; F372-L419 HydrophobicContact CE1-CG 4.31Å; F372-L419 HydrophobicContact CE2-CD1 3.92Å; F372-L419 HydrophobicContact CE2-CD2 4.41Å; F372-L419 HydrophobicContact CE2-CG 3.69Å; F372-L419 HydrophobicContact CG-CD1 3.87Å; F372-L419 HydrophobicContact CG-CD2 3.92Å; F372-L419 HydrophobicContact CG-CG 3.93Å; F372-L419 HydrophobicContact CZ-CD1 3.75Å; F372-L419 HydrophobicContact CZ-CG 4.04Å; L402-L419 HydrophobicContact CD2-CD2 4.39Å; M406-L419 HydrophobicContact CE-CD2 4.44Å; M406-L419 HydrophobicContact SD-CD2 4.29Å; A415-L419 VanDerWaalsContact O-CB 3.3Å; A415-L419 WeakPolarHBondContact O-CB 3.45Å; A415-L419 PolarHBondContact O-N 2.79Å; L416-L419 PolarHBondContact O-N 3.28Å; A417-L419 VanDerWaalsContact C-N 3.27Å; A417-L419 PolarHBondContact O-N 2.79Å; L419-S421 PolarHBondContact O-N 2.86Å; L419-R422 VanDerWaalsContact O-CB 3.3Å; L419-R422 WeakPolarHBondContact O-CB 3.47Å; L419-R422 PolarHBondContact O-N 3.37Å
420I95.1Very high94.3Very high34 Ų3458.9 Ų58.917%0.17433%0.325CS..Hα-helixtrans-60.9-33.6176.1-69.9171.2000111.3F202 Y399 L416 A417 R422 I423F202-I420 HydrophobicContact CE1-CD1 4.08Å; F202-I420 HydrophobicContact CZ-CD1 3.85Å; Y399-I420 HydrophobicContact CD1-CD1 4.36Å; Y399-I420 HydrophobicContact CE1-CD1 3.84Å; Y399-I420 HydrophobicContact CE1-CG1 4.03Å; L416-I420 HydrophobicContact CD1-CD1 3.9Å; L416-I420 HydrophobicContact CD1-CG1 4.22Å; L416-I420 HydrophobicContact CG-CD1 3.91Å; L416-I420 WeakPolarHBondContact O-CB 3.16Å; L416-I420 VanDerWaalsContact O-CG1 3.31Å; L416-I420 WeakPolarHBondContact O-CG1 3.41Å; L416-I420 PolarHBondContact O-N 3.14Å; A417-I420 PolarHBondContact O-N 3.48Å; I420-R422 PolarHBondContact O-N 2.87Å; I420-I423 HydrophobicContact CG2-CD1 4.38Å; I420-I423 WeakPolarHBondContact O-CB 3.39Å; I420-I423 WeakPolarHBondContact O-CG1 3.22Å; I420-I423 PolarHBondContact O-N 3.28Å
421S95.9Very high94.4Very high55 Ų5554.3 Ų54.339%0.38531%0.309SS..THydrogen-bonded Turntrans-61.5-9.6175.284.90000114.7A417 K418 L419A417-S421 WeakPolarHBondContact O-CB 3.41Å; A417-S421 PolarHBondContact O-N 3.2Å; K418-S421 PolarHBondContact O-OG 3.43Å; L419-S421 PolarHBondContact O-N 2.86Å
422R96.1Very high94.8Very high64 Ų6453.6 Ų53.624%0.24231%0.307CS..THydrogen-bonded Turntrans-88.7-14.1175.7-56.2-59176.4-126.59.3113.9F355 S358 L419 I420 T425 L426F355-R422 HydrophobicContact CE2-CB 4.09Å; S358-R422 PolarHBondContact OG-NE 2.92Å; S358-R422 PolarHBondContact OG-NH2 3.42Å; L419-R422 VanDerWaalsContact O-CB 3.3Å; L419-R422 WeakPolarHBondContact O-CB 3.47Å; L419-R422 PolarHBondContact O-N 3.37Å; I420-R422 PolarHBondContact O-N 2.87Å; R422-T425 PolarHBondContact O-N 3.29Å; R422-L426 PolarHBondContact O-N 2.95Å
423I95.6Very high95.1Very high35 Ų3549.1 Ų49.118%0.17928%0.282CS..Hα-helixtrans-62.6-45.3179.4-60.9176.3000112.1F372 V376 I420 T425 L426 S427F372-I423 HydrophobicContact CE2-CD1 4.11Å; F372-I423 HydrophobicContact CE2-CG1 3.97Å; F372-I423 HydrophobicContact CZ-CG1 3.94Å; V376-I423 HydrophobicContact CG2-CD1 4.5Å; V376-I423 HydrophobicContact CG2-CG1 4.28Å; I420-I423 HydrophobicContact CG2-CD1 4.38Å; I420-I423 WeakPolarHBondContact O-CB 3.39Å; I420-I423 WeakPolarHBondContact O-CG1 3.22Å; I420-I423 PolarHBondContact O-N 3.28Å; I423-T425 VanDerWaalsContact C-N 3.26Å; I423-T425 PolarHBondContact O-N 2.93Å; I423-L426 WeakPolarHBondContact O-CB 3.34Å; I423-L426 PolarHBondContact O-N 3.17Å; I423-L426 VanDerWaalsContact O-N 3.1Å; I423-S427 PolarHBondContact O-N 2.67Å; I423-S427 PolarHBondContact O-OG 3.23Å
424P95.8Very high95.6Very high90 Ų9041.7 Ų41.758%0.58425%0.25SS*.Hα-helixtrans-59.3-35.8175.7-25.435.8000113.2S427 A428P424-S427 PolarHBondContact O-N 3.38Å; P424-A428 WeakPolarHBondContact O-CB 3.31Å; P424-A428 PolarHBondContact O-N 2.65Å
425T97Very high95.7Very high62 Ų6243.2 Ų43.238%0.3826%0.255SS..Hα-helixtrans-67.7-39.8175.5-46.10000111.9F355 R422 I423 A428 L429F355-T425 HydrophobicContact CD2-CG2 3.87Å; R422-T425 PolarHBondContact O-N 3.29Å; I423-T425 VanDerWaalsContact C-N 3.26Å; I423-T425 PolarHBondContact O-N 2.93Å; T425-A428 PolarHBondContact O-N 3.17Å; T425-L429 WeakPolarHBondContact O-CG 3.45Å; T425-L429 PolarHBondContact O-N 3.14Å
426L96.1Very high95.9Very high0 Ų044.7 Ų44.70%026%0.261CS..Hα-helixtrans-59.4-47.2173-78.9166.8000111.9E311 L314 V315 F355 F372 V376 R422 I423 L429 C430E311-L426 HydrophobicContact CB-CB 4.44Å; E311-L426 HydrophobicContact CG-CB 4.35Å; L314-L426 HydrophobicContact CB-CD2 3.6Å; L314-L426 HydrophobicContact CD1-CD2 4.23Å; V315-L426 HydrophobicContact CG2-CD1 3.57Å; V315-L426 HydrophobicContact CG2-CD2 4.1Å; V315-L426 HydrophobicContact CG2-CG 4.47Å; F355-L426 HydrophobicContact CD1-CD2 4.38Å; F355-L426 HydrophobicContact CE1-CD2 3.58Å; F355-L426 HydrophobicContact CE1-CG 4.29Å; F355-L426 HydrophobicContact CE2-CD1 4.39Å; F355-L426 HydrophobicContact CE2-CD2 3.8Å; F355-L426 HydrophobicContact CE2-CG 3.6Å; F355-L426 HydrophobicContact CZ-CD1 4Å; F355-L426 HydrophobicContact CZ-CD2 3.25Å; F355-L426 HydrophobicContact CZ-CG 3.45Å; F355-L426 VanDerWaalsContact CZ-CG 3.45Å; F372-L426 HydrophobicContact CE1-CD1 4.36Å; F372-L426 HydrophobicContact CZ-CD1 4.43Å; V376-L426 HydrophobicContact CG1-CD1 4.35Å; V376-L426 HydrophobicContact CG2-CD1 4.16Å; R422-L426 PolarHBondContact O-N 2.95Å; I423-L426 WeakPolarHBondContact O-CB 3.34Å; I423-L426 PolarHBondContact O-N 3.17Å; I423-L426 VanDerWaalsContact O-N 3.1Å; L426-L429 PolarHBondContact O-N 3.01Å; L426-C430 PolarHBondContact O-N 2.87Å; L426-C430 PolarHBondContact O-SG 3.47Å
427S95.4Very high96Very high41 Ų4144.1 Ų44.129%0.28726%0.258SS..Hα-helixtrans-65.5-39.2178.9-57.40000111.7E311 I423 P424 L429 C430 T431E311-S427 PolarHBondContact OE1-OG 2.99Å; I423-S427 PolarHBondContact O-N 2.67Å; I423-S427 PolarHBondContact O-OG 3.23Å; P424-S427 PolarHBondContact O-N 3.38Å; S427-L429 PolarHBondContact O-N 3.31Å; S427-C430 PolarHBondContact O-N 3.27Å; S427-T431 PolarHBondContact O-N 2.89Å; S427-T431 PolarHBondContact O-OG1 3.08Å; S427-T431 VanDerWaalsContact O-OG1 3.05Å
428A97.2Very high96Very high58 Ų5845.4 Ų45.448%0.47925%0.254SS..Hα-helixtrans-61-42.3173.300000112.7P424 T425 C430 T431 L432P424-A428 WeakPolarHBondContact O-CB 3.31Å; P424-A428 PolarHBondContact O-N 2.65Å; T425-A428 PolarHBondContact O-N 3.17Å; A428-C430 PolarHBondContact O-N 2.87Å; A428-T431 PolarHBondContact O-N 3.01Å; A428-L432 WeakPolarHBondContact O-CB 3.07Å; A428-L432 PolarHBondContact O-N 3.25Å
429L98.1Very high95.9Very high7 Ų743.9 Ų43.94%0.03726%0.255CS..Hα-helixtrans-62.6-39.4174.9-74.6173.6000112.8L314 A351 V352 F355 T425 L426 S427 L432 H433L314-L429 HydrophobicContact CD1-CB 3.83Å; L314-L429 HydrophobicContact CD1-CD1 4.11Å; A351-L429 HydrophobicContact CB-CD2 3.44Å; A351-L429 VanDerWaalsContact CB-CD2 3.44Å; V352-L429 HydrophobicContact CG2-CD2 3.98Å; F355-L429 HydrophobicContact CB-CD1 3.58Å; F355-L429 HydrophobicContact CD1-CD1 4.16Å; F355-L429 HydrophobicContact CD2-CD1 4.12Å; F355-L429 HydrophobicContact CG-CD1 3.66Å; T425-L429 WeakPolarHBondContact O-CG 3.45Å; T425-L429 PolarHBondContact O-N 3.14Å; L426-L429 PolarHBondContact O-N 3.01Å; S427-L429 PolarHBondContact O-N 3.31Å; L429-L432 PolarHBondContact O-N 3.01Å; L429-H433 WeakPolarHBondContact O-CB 3.05Å; L429-H433 PolarHBondContact O-N 3.09Å
430C96.1Very high95.9Very high16 Ų1643.9 Ų43.911%0.10826%0.255CS..Hα-helixtrans-69.8-34.3178-64.40000112.2L310 E311 L426 S427 A428 T434L310-C430 HydrophobicContact CD2-CB 4.16Å; E311-C430 WeakPolarHBondContact CG-SG 3.41Å; L426-C430 PolarHBondContact O-N 2.87Å; L426-C430 PolarHBondContact O-SG 3.47Å; S427-C430 PolarHBondContact O-N 3.27Å; A428-C430 PolarHBondContact O-N 2.87Å; C430-T434 WeakPolarHBondContact O-CB 3.42Å; C430-T434 PolarHBondContact O-N 3.02Å; C430-T434 VanDerWaalsContact O-N 3.15Å; C430-T434 PolarHBondContact O-OG1 2.96Å
431T95.6Very high95.8Very high77 Ų7744.2 Ų44.247%0.47226%0.256SS..Hα-helixtrans-63.4-52.3170.3-56.60000110.8S427 A428 H433 T434 E435S427-T431 PolarHBondContact O-N 2.89Å; S427-T431 PolarHBondContact O-OG1 3.08Å; S427-T431 VanDerWaalsContact O-OG1 3.05Å; A428-T431 PolarHBondContact O-N 3.01Å; T431-H433 VanDerWaalsContact C-N 3.35Å; T431-H433 PolarHBondContact O-N 2.88Å; T431-T434 WeakPolarHBondContact O-CA 3.47Å; T431-T434 VanDerWaalsContact O-CB 3.31Å; T431-T434 WeakPolarHBondContact O-CB 3.43Å; T431-T434 PolarHBondContact O-N 3.22Å; T431-E435 PolarHBondContact O-N 2.81Å
432L97.4Very high95.7Very high43 Ų4349.2 Ų49.223%0.22527%0.273CS..Hα-helixtrans-60.1-40.9179.2-177.260.8000112.6L348 A428 L429 T434 E435 E436L348-L432 HydrophobicContact CB-CD2 4.03Å; L348-L432 HydrophobicContact CB-CG 4.12Å; L348-L432 HydrophobicContact CD1-CB 4.23Å; L348-L432 HydrophobicContact CD1-CD2 4.06Å; L348-L432 HydrophobicContact CD1-CG 3.98Å; A428-L432 WeakPolarHBondContact O-CB 3.07Å; A428-L432 PolarHBondContact O-N 3.25Å; L429-L432 PolarHBondContact O-N 3.01Å; L432-T434 VanDerWaalsContact C-N 3.26Å; L432-T434 PolarHBondContact O-N 2.79Å; L432-E435 PolarHBondContact O-N 3.33Å; L432-E436 HydrophobicContact CD1-CG 4.47Å; L432-E436 WeakPolarHBondContact O-CB 3.48Å; L432-E436 WeakPolarHBondContact O-CG 3.45Å; L432-E436 PolarHBondContact O-N 2.68Å
433H96.9Very high95.5Very high13 Ų1351.7 Ų51.76%0.0629%0.291CS..Hα-helixtrans-57.7-39.3171.3167-82.7000112.2L310 L348 L429 T431 L437 Y456 F460L310-H433 HydrophobicContact CD2-CB 3.94Å; L348-H433 HydrophobicContact CD1-CB 4.16Å; L348-H433 HydrophobicContact CD2-CB 4.22Å; L429-H433 WeakPolarHBondContact O-CB 3.05Å; L429-H433 PolarHBondContact O-N 3.09Å; T431-H433 VanDerWaalsContact C-N 3.35Å; T431-H433 PolarHBondContact O-N 2.88Å; H433-L437 WeakPolarHBondContact O-CB 3.33Å; H433-L437 PolarHBondContact O-N 2.64Å; H433-Y456 AromaticContact CE1-CZ 3.97Å; H433-Y456 PolarHBondContact CE1-OH 3.38Å; H433-Y456 AromaticContact NE2-CZ 3.83Å; H433-Y456 PolarHBondContact NE2-OH 2.85Å; H433-F460 AromaticContact CE1-CG 3.98Å
434T95.2Very high95.4Very high47 Ų4752.6 Ų52.629%0.28829%0.294SS..Hα-helixtrans-71.2-39.6-179.8-56.60000111.4C430 T431 L432 L437 Q438C430-T434 WeakPolarHBondContact O-CB 3.42Å; C430-T434 PolarHBondContact O-N 3.02Å; C430-T434 VanDerWaalsContact O-N 3.15Å; C430-T434 PolarHBondContact O-OG1 2.96Å; T431-T434 WeakPolarHBondContact O-CA 3.47Å; T431-T434 VanDerWaalsContact O-CB 3.31Å; T431-T434 WeakPolarHBondContact O-CB 3.43Å; T431-T434 PolarHBondContact O-N 3.22Å; L432-T434 VanDerWaalsContact C-N 3.26Å; L432-T434 PolarHBondContact O-N 2.79Å; T434-L437 PolarHBondContact O-N 2.69Å; T434-Q438 VanDerWaalsContact O-CG 3.26Å; T434-Q438 WeakPolarHBondContact O-CG 3.42Å; T434-Q438 PolarHBondContact O-N 3.31Å
435E95.6Very high95.2Very high110 Ų11051.1 Ų51.151%0.51428%0.284SS..Hα-helixtrans-63.4-48.4174.5-68.6171176.500111.6T431 L432 L437 Q438 A439T431-E435 PolarHBondContact O-N 2.81Å; L432-E435 PolarHBondContact O-N 3.33Å; E435-L437 PolarHBondContact O-N 3.14Å; E435-Q438 PolarHBondContact O-N 3.27Å; E435-A439 PolarHBondContact O-N 3.16Å
436E96.4Very high94.9Very high38 Ų3854.4 Ų54.418%0.17830%0.295CS..Hα-helixtrans-62.4-40.4176.3-74.9-65.4162.800112.6W269 C345 L348 L432 A439 F440W269-E436 HydrophobicContact CH2-CB 4Å; W269-E436 HydrophobicContact CZ2-CB 4.23Å; C345-E436 HydrophobicContact CB-CB 4.31Å; C345-E436 HydrophobicContact CB-CG 3.77Å; C345-E436 WeakPolarHBondContact CB-OE2 3.36Å; L348-E436 HydrophobicContact CB-CG 4.3Å; L348-E436 HydrophobicContact CD2-CB 4.17Å; L348-E436 HydrophobicContact CD2-CG 4.19Å; L432-E436 HydrophobicContact CD1-CG 4.47Å; L432-E436 WeakPolarHBondContact O-CB 3.48Å; L432-E436 WeakPolarHBondContact O-CG 3.45Å; L432-E436 PolarHBondContact O-N 2.68Å; E436-A439 PolarHBondContact O-N 3.09Å; E436-F440 WeakPolarHBondContact O-CB 3.42Å; E436-F440 PolarHBondContact O-N 2.85Å
437L95.4Very high94.6Very high4 Ų455 Ų552%0.02130%0.299CS..Hα-helixtrans-63.2-41.4174.7176.561.8000111.7W269 H433 T434 E435 F440 Q441 F452 Y456 F460W269-L437 HydrophobicContact CZ3-CB 4.43Å; W269-L437 HydrophobicContact CZ3-CD1 4.22Å; H433-L437 WeakPolarHBondContact O-CB 3.33Å; H433-L437 PolarHBondContact O-N 2.64Å; T434-L437 PolarHBondContact O-N 2.69Å; E435-L437 PolarHBondContact O-N 3.14Å; L437-F440 PolarHBondContact O-N 2.91Å; L437-Q441 VanDerWaalsContact O-CB 3.25Å; L437-Q441 WeakPolarHBondContact O-CB 3.45Å; L437-Q441 PolarHBondContact O-N 2.95Å; L437-F452 HydrophobicContact CD1-CE2 3.75Å; L437-Y456 HydrophobicContact CD1-CE1 4.01Å; L437-Y456 HydrophobicContact CD2-CE1 3.82Å; L437-F460 HydrophobicContact CD2-CB 3.55Å
438Q94.1Very high94.3Very high85 Ų8553.1 Ų53.140%0.39729%0.286SS..Hα-helixtrans-65.2-43.9176.4-74.2173.420.400111.6T434 E435 Q441 Q442T434-Q438 VanDerWaalsContact O-CG 3.26Å; T434-Q438 WeakPolarHBondContact O-CG 3.42Å; T434-Q438 PolarHBondContact O-N 3.31Å; E435-Q438 PolarHBondContact O-N 3.27Å; Q438-Q441 PolarHBondContact O-N 3.03Å; Q438-Q442 WeakPolarHBondContact O-CG 3.47Å; Q438-Q442 PolarHBondContact O-N 3.47Å; Q438-Q442 VanDerWaalsContact O-N 3.08Å
439A94.3Very high93.8Very high42 Ų4254.2 Ų54.235%0.34728%0.284SS..Hα-helixtrans-62-42.3175.300000111.8E435 E436E435-A439 PolarHBondContact O-N 3.16Å; E436-A439 PolarHBondContact O-N 3.09Å
440F94.9Very high93.4Very high0 Ų058.4 Ų58.40%031%0.31CS..Hα-helixtrans-63.5-42.9173.6175.6-99000112.2R265 D266 W269 E436 L437 Q442 L443 H444 T447 V448 F452R265-F440 HydrophobicContact CG-CD2 4.35Å; R265-F440 HydrophobicContact CG-CE2 4.23Å; D266-F440 HydrophobicContact CB-CE2 4.12Å; D266-F440 HydrophobicContact CB-CZ 3.91Å; W269-F440 HydrophobicContact CB-CD1 4.43Å; W269-F440 HydrophobicContact CB-CD2 4.3Å; W269-F440 HydrophobicContact CB-CE1 3.95Å; W269-F440 HydrophobicContact CB-CE2 3.81Å; W269-F440 HydrophobicContact CB-CZ 3.63Å; W269-F440 AromaticContact CD1-CD2 3.52Å; W269-F440 AromaticContact CD1-CE2 3.63Å; W269-F440 HydrophobicContact CD2-CB 4.37Å; W269-F440 HydrophobicContact CD2-CD1 4.13Å; W269-F440 HydrophobicContact CD2-CD2 4.05Å; W269-F440 HydrophobicContact CD2-CE2 4.45Å; W269-F440 AromaticContact CD2-CG 3.89Å; W269-F440 HydrophobicContact CD2-CG 3.89Å; W269-F440 HydrophobicContact CE3-CD1 4.31Å; W269-F440 HydrophobicContact CE3-CG 4.4Å; W269-F440 HydrophobicContact CG-CD1 4.2Å; W269-F440 AromaticContact CG-CD2 3.69Å; W269-F440 HydrophobicContact CG-CD2 3.69Å; W269-F440 HydrophobicContact CG-CE1 4.18Å; W269-F440 AromaticContact CG-CE2 3.68Å; W269-F440 HydrophobicContact CG-CE2 3.68Å; W269-F440 AromaticContact CG-CG 3.98Å; W269-F440 HydrophobicContact CG-CG 3.98Å; W269-F440 AromaticContact CG-CZ 3.94Å; W269-F440 HydrophobicContact CG-CZ 3.94Å; W269-F440 HydrophobicContact CZ2-CB 4.22Å; W269-F440 AromaticContact NE1-CD2 3.74Å; E436-F440 WeakPolarHBondContact O-CB 3.42Å; E436-F440 PolarHBondContact O-N 2.85Å; L437-F440 PolarHBondContact O-N 2.91Å; F440-Q442 VanDerWaalsContact C-N 3.32Å; F440-Q442 PolarHBondContact O-N 2.97Å; F440-L443 PolarHBondContact O-N 3.13Å; F440-L443 VanDerWaalsContact O-N 3.12Å; F440-H444 HydrophobicContact CD2-CB 4.47Å; F440-H444 AromaticContact CD2-CD2 3.58Å; F440-H444 HydrophobicContact CE1-CB 4.01Å; F440-H444 HydrophobicContact CE2-CB 3.84Å; F440-H444 AromaticContact CE2-CD2 3.24Å; F440-H444 WeakPolarHBondContact CE2-CD2 3.44Å; F440-H444 AromaticContact CE2-CG 3.65Å; F440-H444 HydrophobicContact CZ-CB 3.57Å; F440-H444 AromaticContact CZ-CD2 3.93Å; F440-H444 AromaticContact CZ-CG 3.87Å; F440-H444 PolarHBondContact O-N 3.05Å; F440-T447 HydrophobicContact CE1-CG2 4.48Å; F440-T447 HydrophobicContact CZ-CG2 4.21Å; F440-V448 HydrophobicContact CD1-CG2 3.65Å; F440-V448 HydrophobicContact CE1-CG2 3.55Å; F440-F452 HydrophobicContact CD1-CZ 4.07Å; F440-F452 AromaticContact CE1-CE1 3.95Å; F440-F452 HydrophobicContact CE1-CE1 3.95Å; F440-F452 HydrophobicContact CE1-CE2 4.46Å; F440-F452 AromaticContact CE1-CZ 3.54Å; F440-F452 HydrophobicContact CE1-CZ 3.54Å; F440-F452 HydrophobicContact CZ-CZ 4.44Å
441Q93.1Very high93.2Very high41 Ų4161.6 Ų61.619%0.19233%0.325CS..Hα-helixtrans-63.2-34179.8-176176.98.700113L437 Q438 L443 P445 V448 N461L437-Q441 VanDerWaalsContact O-CB 3.25Å; L437-Q441 WeakPolarHBondContact O-CB 3.45Å; L437-Q441 PolarHBondContact O-N 2.95Å; Q438-Q441 PolarHBondContact O-N 3.03Å; Q441-L443 VanDerWaalsContact C-N 3.29Å; Q441-L443 PolarHBondContact O-N 2.93Å; Q441-P445 VanDerWaalsContact O-CA 3.31Å; Q441-P445 WeakPolarHBondContact O-CA 3.28Å; Q441-P445 WeakPolarHBondContact O-CB 3.42Å; Q441-P445 WeakPolarHBondContact O-CD 3.49Å; Q441-P445 VanDerWaalsContact O-N 3.16Å; Q441-V448 HydrophobicContact CB-CB 4.49Å; Q441-V448 HydrophobicContact CB-CG2 3.98Å; Q441-V448 HydrophobicContact CG-CB 4.1Å; Q441-V448 HydrophobicContact CG-CG1 4.04Å; Q441-V448 HydrophobicContact CG-CG2 4.14Å; Q441-N461 PolarHBondContact NE2-ND2 3.06Å; Q441-N461 PolarHBondContact NE2-OD1 3.34Å; Q441-N461 PolarHBondContact OE1-OD1 2.79Å
442Q92.8Very high93.2Very high161 Ų16158.1 Ų58.175%0.75230%0.303SS*.Hα-helixtrans-64.8-33.8174.5-70.8173.822.900112.4Q438 F440Q438-Q442 WeakPolarHBondContact O-CG 3.47Å; Q438-Q442 PolarHBondContact O-N 3.47Å; Q438-Q442 VanDerWaalsContact O-N 3.08Å; F440-Q442 VanDerWaalsContact C-N 3.32Å; F440-Q442 PolarHBondContact O-N 2.97Å
443L93.6Very high93.1Very high116 Ų11657.1 Ų57.161%0.60730%0.299SS*.Hα-helixtrans-87.5-31.9-180-63.4173.5000112.9F440 Q441 P445F440-L443 PolarHBondContact O-N 3.13Å; F440-L443 VanDerWaalsContact O-N 3.12Å; Q441-L443 VanDerWaalsContact C-N 3.29Å; Q441-L443 PolarHBondContact O-N 2.93Å; L443-P445 VanDerWaalsContact C-CD 3.46Å
444H92.9Very high93Very high54 Ų5461.3 Ų61.325%0.2533%0.328CS..  trans-131.356.2-173.9-58.8-81.9000112.9F440 E446 T447 V448F440-H444 HydrophobicContact CD2-CB 4.47Å; F440-H444 AromaticContact CD2-CD2 3.58Å; F440-H444 HydrophobicContact CE1-CB 4.01Å; F440-H444 HydrophobicContact CE2-CB 3.84Å; F440-H444 AromaticContact CE2-CD2 3.24Å; F440-H444 WeakPolarHBondContact CE2-CD2 3.44Å; F440-H444 AromaticContact CE2-CG 3.65Å; F440-H444 HydrophobicContact CZ-CB 3.57Å; F440-H444 AromaticContact CZ-CD2 3.93Å; F440-H444 AromaticContact CZ-CG 3.87Å; F440-H444 PolarHBondContact O-N 3.05Å; H444-E446 VanDerWaalsContact C-N 3.34Å; H444-E446 PolarHBondContact O-N 3.21Å; H444-T447 PolarHBondContact O-N 3.28Å; H444-V448 PolarHBondContact O-N 3.03Å; H444-V448 VanDerWaalsContact O-N 3.17Å
445P91.1Very high92.9Very high58 Ų5861.2 Ų61.238%0.37733%0.325SS..Hα-helixtrans-63.4-36.5-173.324.8-34.5000113Q441 L443 V448 N449Q441-P445 VanDerWaalsContact O-CA 3.31Å; Q441-P445 WeakPolarHBondContact O-CA 3.28Å; Q441-P445 WeakPolarHBondContact O-CB 3.42Å; Q441-P445 WeakPolarHBondContact O-CD 3.49Å; Q441-P445 VanDerWaalsContact O-N 3.16Å; L443-P445 VanDerWaalsContact C-CD 3.46Å; P445-V448 PolarHBondContact O-N 2.88Å; P445-N449 VanDerWaalsContact O-CB 3.25Å; P445-N449 WeakPolarHBondContact O-CB 3.31Å; P445-N449 PolarHBondContact O-N 2.84Å; P445-N449 PolarHBondContact O-ND2 2.85Å; P445-N449 VanDerWaalsContact O-ND2 3.11Å
446E90.1Very high92.8Very high131 Ų13156.2 Ų56.261%0.61230%0.302SS*.Hα-helixtrans-63.8-41.7176-71.3-58.9131.900112.1H444 N449 V450H444-E446 VanDerWaalsContact C-N 3.34Å; H444-E446 PolarHBondContact O-N 3.21Å; E446-N449 PolarHBondContact O-N 2.8Å; E446-V450 VanDerWaalsContact O-CB 3.26Å; E446-V450 WeakPolarHBondContact O-CB 3.4Å; E446-V450 WeakPolarHBondContact O-CG2 3.49Å; E446-V450 PolarHBondContact O-N 3.21Å
447T90.4Very high92.7Very high12 Ų1256.6 Ų56.67%0.07430%0.303CS..Iπ-helixtrans-62.1-46.9176.8-530000110.7D266 F440 H444 L451 F452D266-T447 HydrophobicContact CB-CG2 4.05Å; F440-T447 HydrophobicContact CE1-CG2 4.48Å; F440-T447 HydrophobicContact CZ-CG2 4.21Å; H444-T447 PolarHBondContact O-N 3.28Å; T447-L451 HydrophobicContact CG2-CB 4.21Å; T447-L451 HydrophobicContact CG2-CD1 4.15Å; T447-L451 WeakPolarHBondContact O-CA 3.35Å; T447-L451 VanDerWaalsContact O-CB 3.32Å; T447-L451 WeakPolarHBondContact O-CB 3.35Å; T447-L451 PolarHBondContact O-N 2.78Å; T447-F452 HydrophobicContact CG2-CD1 4.2Å; T447-F452 HydrophobicContact CG2-CE1 3.87Å; T447-F452 WeakPolarHBondContact O-CD1 3.49Å; T447-F452 PolarHBondContact O-N 3.48Å; T447-F452 VanDerWaalsContact O-N 3.09Å
448V89.3Confident92.5Very high2 Ų262.2 Ų62.21%0.01233%0.329CS..Iπ-helixtrans-66.4-41.8177.8179.80000111.4F440 Q441 H444 P445 F452 K457F440-V448 HydrophobicContact CD1-CG2 3.65Å; F440-V448 HydrophobicContact CE1-CG2 3.55Å; Q441-V448 HydrophobicContact CB-CB 4.49Å; Q441-V448 HydrophobicContact CB-CG2 3.98Å; Q441-V448 HydrophobicContact CG-CB 4.1Å; Q441-V448 HydrophobicContact CG-CG1 4.04Å; Q441-V448 HydrophobicContact CG-CG2 4.14Å; H444-V448 PolarHBondContact O-N 3.03Å; H444-V448 VanDerWaalsContact O-N 3.17Å; P445-V448 PolarHBondContact O-N 2.88Å; V448-F452 HydrophobicContact CB-CD2 4.5Å; V448-F452 HydrophobicContact CG1-CD2 4.2Å; V448-F452 HydrophobicContact CG2-CD2 4.37Å; V448-F452 HydrophobicContact CG2-CE2 4.05Å; V448-F452 HydrophobicContact CG2-CZ 4.14Å; V448-F452 WeakPolarHBondContact O-CB 3.42Å; V448-K457 WeakPolarHBondContact O-CD 3.49Å
449N87.6Confident92.3Very high82 Ų8259.5 Ų59.544%0.43932%0.317SS..Iπ-helixtrans-76.9-39.8-175.3-69.9-31.2000113.1P445 E446 K457P445-N449 VanDerWaalsContact O-CB 3.25Å; P445-N449 WeakPolarHBondContact O-CB 3.31Å; P445-N449 PolarHBondContact O-N 2.84Å; P445-N449 PolarHBondContact O-ND2 2.85Å; P445-N449 VanDerWaalsContact O-ND2 3.11Å; E446-N449 PolarHBondContact O-N 2.8Å; N449-K457 PolarHBondContact O-NZ 2.81Å
450V89.1Confident92.1Very high95 Ų9558.5 Ų58.558%0.57631%0.305SS*.Iπ-helixtrans-97.3-47.6-173.3-175.10000112.2E446E446-V450 VanDerWaalsContact O-CB 3.26Å; E446-V450 WeakPolarHBondContact O-CB 3.4Å; E446-V450 WeakPolarHBondContact O-CG2 3.49Å; E446-V450 PolarHBondContact O-N 3.21Å
451L92.5Very high91.3Very high83 Ų8360.3 Ų60.344%0.43532%0.315SS..Iπ-helixtrans-94.2-23.3-165.1-61.3-179.1000114.5Q270 T447Q270-L451 HydrophobicContact CG-CB 4.28Å; Q270-L451 PolarHBondContact NE2-O 3.39Å; Q270-L451 VanDerWaalsContact NE2-O 3.09Å; T447-L451 HydrophobicContact CG2-CB 4.21Å; T447-L451 HydrophobicContact CG2-CD1 4.15Å; T447-L451 WeakPolarHBondContact O-CA 3.35Å; T447-L451 VanDerWaalsContact O-CB 3.32Å; T447-L451 WeakPolarHBondContact O-CB 3.35Å; T447-L451 PolarHBondContact O-N 2.78Å
452F94.8Very high89.6Confident3 Ų362.2 Ų62.21%0.01333%0.33CS..SBendtrans-73.4144.7176.6-8024.5000112.1W269 Q270 A273 L437 F440 T447 V448 Y456 K457W269-F452 HydrophobicContact CB-CE1 4.46Å; W269-F452 HydrophobicContact CB-CZ 4.14Å; W269-F452 HydrophobicContact CE3-CZ 4.31Å; Q270-F452 HydrophobicContact CB-CD1 4.34Å; Q270-F452 HydrophobicContact CB-CE1 4.14Å; Q270-F452 HydrophobicContact CG-CD1 4.34Å; A273-F452 HydrophobicContact CB-CD1 4.33Å; A273-F452 HydrophobicContact CB-CD2 3.94Å; A273-F452 HydrophobicContact CB-CE1 4.36Å; A273-F452 HydrophobicContact CB-CE2 3.96Å; A273-F452 HydrophobicContact CB-CG 4.12Å; A273-F452 HydrophobicContact CB-CZ 4.18Å; L437-F452 HydrophobicContact CD1-CE2 3.75Å; F440-F452 HydrophobicContact CD1-CZ 4.07Å; F440-F452 AromaticContact CE1-CE1 3.95Å; F440-F452 HydrophobicContact CE1-CE1 3.95Å; F440-F452 HydrophobicContact CE1-CE2 4.46Å; F440-F452 AromaticContact CE1-CZ 3.54Å; F440-F452 HydrophobicContact CE1-CZ 3.54Å; F440-F452 HydrophobicContact CZ-CZ 4.44Å; T447-F452 HydrophobicContact CG2-CD1 4.2Å; T447-F452 HydrophobicContact CG2-CE1 3.87Å; T447-F452 WeakPolarHBondContact O-CD1 3.49Å; T447-F452 PolarHBondContact O-N 3.48Å; T447-F452 VanDerWaalsContact O-N 3.09Å; V448-F452 HydrophobicContact CB-CD2 4.5Å; V448-F452 HydrophobicContact CG1-CD2 4.2Å; V448-F452 HydrophobicContact CG2-CD2 4.37Å; V448-F452 HydrophobicContact CG2-CE2 4.05Å; V448-F452 HydrophobicContact CG2-CZ 4.14Å; V448-F452 WeakPolarHBondContact O-CB 3.42Å; F452-Y456 AromaticContact CD2-CD1 3.63Å; F452-Y456 HydrophobicContact CD2-CD1 3.63Å; F452-Y456 AromaticContact CD2-CE1 3.63Å; F452-Y456 HydrophobicContact CD2-CE1 3.63Å; F452-Y456 HydrophobicContact CE2-CD1 4.21Å; F452-Y456 AromaticContact CE2-CE1 3.72Å; F452-Y456 HydrophobicContact CE2-CE1 3.72Å; F452-K457 HydrophobicContact CB-CD 4.03Å; F452-K457 HydrophobicContact CB-CG 4.01Å; F452-K457 VanDerWaalsContact O-CE 3.3Å; F452-K457 WeakPolarHBondContact O-CE 3.47Å; F452-K457 PolarHBondContact O-NZ 3.31Å
453P96.2Very high87.7Confident22 Ų2259.6 Ų59.614%0.14332%0.322CS..  trans-57.7142.2-180-26.135.8000113.2I274 T277 L455 Y456 K457I274-P453 HydrophobicContact CG1-CG 3.81Å; T277-P453 HydrophobicContact CG2-CB 3.8Å; T277-P453 HydrophobicContact CG2-CG 4.37Å; T277-P453 WeakPolarHBondContact OG1-CB 3.44Å; T277-P453 WeakPolarHBondContact OG1-CG 3.32Å; P453-L455 VanDerWaalsContact C-N 3.31Å; P453-L455 PolarHBondContact O-N 2.93Å; P453-Y456 WeakPolarHBondContact O-CB 3.22Å; P453-Y456 PolarHBondContact O-N 3.44Å; P453-K457 PolarHBondContact O-N 3.42Å
454P93Very high85.3Confident102 Ų10259.1 Ų59.166%0.66233%0.325SS*.Hα-helixtrans-54.7-41.8-178.6-28.535.9000114.5K457 E458P454-K457 PolarHBondContact O-N 2.84Å; P454-E458 PolarHBondContact O-N 3.09Å
455L93.5Very high82.7Confident45 Ų4562.2 Ų62.224%0.23634%0.344CS..Hα-helixtrans-66.8-39.6180179.561.5000112.3T277 I280 Q281 P453 K457 E458 L459T277-L455 HydrophobicContact CG2-CB 4.09Å; T277-L455 HydrophobicContact CG2-CD2 4.26Å; I280-L455 HydrophobicContact CG2-CD2 3.91Å; I280-L455 HydrophobicContact CG2-CG 4.28Å; Q281-L455 HydrophobicContact CG-CD2 3.74Å; P453-L455 VanDerWaalsContact C-N 3.31Å; P453-L455 PolarHBondContact O-N 2.93Å; L455-K457 VanDerWaalsContact C-N 3.29Å; L455-K457 PolarHBondContact O-N 2.81Å; L455-E458 PolarHBondContact O-N 2.85Å; L455-L459 HydrophobicContact CD1-CD1 3.93Å; L455-L459 HydrophobicContact CD1-CG 4.17Å; L455-L459 HydrophobicContact CG-CD1 3.99Å; L455-L459 VanDerWaalsContact O-CG 3.26Å; L455-L459 WeakPolarHBondContact O-CG 3.36Å; L455-L459 PolarHBondContact O-N 3.27Å; L455-L459 VanDerWaalsContact O-N 3.17Å
456Y95Very high80.4Confident4 Ų462.3 Ų62.32%0.01635%0.346CS..Hα-helixtrans-59.3-43.9174.4-170.7-85.6000111A273 I276 T277 H433 L437 F452 P453 L459 F460A273-Y456 HydrophobicContact CB-CD1 4.26Å; A273-Y456 HydrophobicContact CB-CD2 3.98Å; A273-Y456 HydrophobicContact CB-CE1 4.24Å; A273-Y456 HydrophobicContact CB-CE2 3.99Å; A273-Y456 HydrophobicContact CB-CG 4.13Å; I276-Y456 HydrophobicContact CB-CD2 4.38Å; I276-Y456 HydrophobicContact CB-CE2 4.2Å; I276-Y456 HydrophobicContact CD1-CE2 4.27Å; I276-Y456 HydrophobicContact CG2-CD2 4.08Å; I276-Y456 HydrophobicContact CG2-CE2 3.92Å; T277-Y456 WeakPolarHBondContact OG1-CB 3.25Å; H433-Y456 AromaticContact CE1-CZ 3.97Å; H433-Y456 PolarHBondContact CE1-OH 3.38Å; H433-Y456 AromaticContact NE2-CZ 3.83Å; H433-Y456 PolarHBondContact NE2-OH 2.85Å; L437-Y456 HydrophobicContact CD1-CE1 4.01Å; L437-Y456 HydrophobicContact CD2-CE1 3.82Å; F452-Y456 AromaticContact CD2-CD1 3.63Å; F452-Y456 HydrophobicContact CD2-CD1 3.63Å; F452-Y456 AromaticContact CD2-CE1 3.63Å; F452-Y456 HydrophobicContact CD2-CE1 3.63Å; F452-Y456 HydrophobicContact CE2-CD1 4.21Å; F452-Y456 AromaticContact CE2-CE1 3.72Å; F452-Y456 HydrophobicContact CE2-CE1 3.72Å; P453-Y456 WeakPolarHBondContact O-CB 3.22Å; P453-Y456 PolarHBondContact O-N 3.44Å; Y456-L459 PolarHBondContact O-N 2.83Å; Y456-F460 AromaticContact CD1-CD2 3.93Å; Y456-F460 HydrophobicContact CD1-CD2 3.93Å; Y456-F460 AromaticContact CD2-CD2 3.59Å; Y456-F460 HydrophobicContact CD2-CD2 3.59Å; Y456-F460 AromaticContact CD2-CE2 3.67Å; Y456-F460 HydrophobicContact CD2-CE2 3.67Å; Y456-F460 HydrophobicContact CE1-CB 4.34Å; Y456-F460 AromaticContact CE1-CD2 3.92Å; Y456-F460 HydrophobicContact CE1-CD2 3.92Å; Y456-F460 AromaticContact CE2-CD2 3.55Å; Y456-F460 HydrophobicContact CE2-CD2 3.55Å; Y456-F460 AromaticContact CE2-CE2 3.68Å; Y456-F460 HydrophobicContact CE2-CE2 3.68Å; Y456-F460 AromaticContact CG-CD2 3.77Å; Y456-F460 HydrophobicContact CG-CD2 3.77Å; Y456-F460 HydrophobicContact CG-CE2 4.26Å; Y456-F460 AromaticContact CZ-CD2 3.73Å; Y456-F460 VanDerWaalsContact O-CD2 3.31Å; Y456-F460 WeakPolarHBondContact O-CD2 3.43Å; Y456-F460 PolarHBondContact O-N 3.48Å
457K92.5Very high77.7Confident47 Ų4760.3 Ų60.320%0.20435%0.352CS..Hα-helixtrans-65.2-42.3178.1-61.6-178.8-56.1-153.70111.9V448 N449 F452 P453 P454 L455 L459 N461V448-K457 WeakPolarHBondContact O-CD 3.49Å; N449-K457 PolarHBondContact O-NZ 2.81Å; F452-K457 HydrophobicContact CB-CD 4.03Å; F452-K457 HydrophobicContact CB-CG 4.01Å; F452-K457 VanDerWaalsContact O-CE 3.3Å; F452-K457 WeakPolarHBondContact O-CE 3.47Å; F452-K457 PolarHBondContact O-NZ 3.31Å; P453-K457 PolarHBondContact O-N 3.42Å; P454-K457 PolarHBondContact O-N 2.84Å; L455-K457 VanDerWaalsContact C-N 3.29Å; L455-K457 PolarHBondContact O-N 2.81Å; K457-L459 PolarHBondContact O-N 2.99Å; K457-N461 HydrophobicContact CB-CB 4.34Å; K457-N461 WeakPolarHBondContact O-CA 3.36Å; K457-N461 WeakPolarHBondContact O-CB 3.39Å; K457-N461 PolarHBondContact O-N 2.89Å
458E91.2Very high75Confident122 Ų12268 Ų6857%0.5739%0.389SS*.Hα-helixtrans-63.2-29.4178.7-173.1177.816600113.6K306 P454 L455K306-E458 WeakPolarHBondContact CE-O 3.27Å; K306-E458 PolarHBondContact NZ-O 3.3Å; P454-E458 PolarHBondContact O-N 3.09Å; L455-E458 PolarHBondContact O-N 2.85Å
459L90.5Very high72.2Confident28 Ų2871.5 Ų71.515%0.14742%0.418CS..Hα-helixtrans-89.5-43.3-179.3-62.3171.2000112.9I280 K306 L455 Y456 K457I280-L459 HydrophobicContact CD1-CD1 3.87Å; I280-L459 HydrophobicContact CG2-CD1 3.44Å; I280-L459 VanDerWaalsContact CG2-CD1 3.44Å; K306-L459 HydrophobicContact CG-CD2 3.84Å; L455-L459 HydrophobicContact CD1-CD1 3.93Å; L455-L459 HydrophobicContact CD1-CG 4.17Å; L455-L459 HydrophobicContact CG-CD1 3.99Å; L455-L459 VanDerWaalsContact O-CG 3.26Å; L455-L459 WeakPolarHBondContact O-CG 3.36Å; L455-L459 PolarHBondContact O-N 3.27Å; L455-L459 VanDerWaalsContact O-N 3.17Å; Y456-L459 PolarHBondContact O-N 2.83Å; K457-L459 PolarHBondContact O-N 2.99Å
460F89.5Confident69.7Low21 Ų2172.5 Ų72.59%0.09242%0.421CS..Hα-helixtrans-112.4-16.8-169-54.2-62.6000115.8I276 I280 L310 H433 L437 Y456 P462I276-F460 HydrophobicContact CG2-CE2 4.25Å; I280-F460 HydrophobicContact CD1-CE2 3.56Å; I280-F460 HydrophobicContact CD1-CZ 3.66Å; L310-F460 HydrophobicContact CB-CE1 3.86Å; L310-F460 HydrophobicContact CB-CZ 3.92Å; L310-F460 HydrophobicContact CD1-CZ 4.44Å; L310-F460 HydrophobicContact CD2-CE1 3.99Å; L310-F460 HydrophobicContact CD2-CZ 4.32Å; L310-F460 HydrophobicContact CG-CE1 4.46Å; L310-F460 HydrophobicContact CG-CZ 4.46Å; H433-F460 AromaticContact CE1-CG 3.98Å; L437-F460 HydrophobicContact CD2-CB 3.55Å; Y456-F460 AromaticContact CD1-CD2 3.93Å; Y456-F460 HydrophobicContact CD1-CD2 3.93Å; Y456-F460 AromaticContact CD2-CD2 3.59Å; Y456-F460 HydrophobicContact CD2-CD2 3.59Å; Y456-F460 AromaticContact CD2-CE2 3.67Å; Y456-F460 HydrophobicContact CD2-CE2 3.67Å; Y456-F460 HydrophobicContact CE1-CB 4.34Å; Y456-F460 AromaticContact CE1-CD2 3.92Å; Y456-F460 HydrophobicContact CE1-CD2 3.92Å; Y456-F460 AromaticContact CE2-CD2 3.55Å; Y456-F460 HydrophobicContact CE2-CD2 3.55Å; Y456-F460 AromaticContact CE2-CE2 3.68Å; Y456-F460 HydrophobicContact CE2-CE2 3.68Å; Y456-F460 AromaticContact CG-CD2 3.77Å; Y456-F460 HydrophobicContact CG-CD2 3.77Å; Y456-F460 HydrophobicContact CG-CE2 4.26Å; Y456-F460 AromaticContact CZ-CD2 3.73Å; Y456-F460 VanDerWaalsContact O-CD2 3.31Å; Y456-F460 WeakPolarHBondContact O-CD2 3.43Å; Y456-F460 PolarHBondContact O-N 3.48Å; F460-P462 WeakPolarHBondContact O-CD 3.15Å
461N78.9Confident67.2Low38 Ų3872.8 Ų72.820%0.20343%0.425CS..SBendtrans-92.2111.6176.8-164.5-1.9000108.5Q441 K457 D463Q441-N461 PolarHBondContact NE2-ND2 3.06Å; Q441-N461 PolarHBondContact NE2-OD1 3.34Å; Q441-N461 PolarHBondContact OE1-OD1 2.79Å; K457-N461 HydrophobicContact CB-CB 4.34Å; K457-N461 WeakPolarHBondContact O-CA 3.36Å; K457-N461 WeakPolarHBondContact O-CB 3.39Å; K457-N461 PolarHBondContact O-N 2.89Å; N461-D463 PolarHBondContact O-N 3.49Å; N461-D463 VanDerWaalsContact O-N 3.11Å
462P57.8Low64.3Low80 Ų8082 Ų8252%0.51946%0.462SS..  trans-65.9115.1177.627.1-32.9000109.2F460 P464F460-P462 WeakPolarHBondContact O-CD 3.15Å; P462-P464 WeakPolarHBondContact O-CD 3.47Å; P462-P464 VanDerWaalsContact O-N 3.16Å
463D52.2Low62.8Low107 Ų10786 Ų8657%0.57248%0.484SS*.  trans-57.5119.7174.1-148-26.4000107.9N461 N465 S466N461-D463 PolarHBondContact O-N 3.49Å; N461-D463 VanDerWaalsContact O-N 3.11Å; D463-N465 PolarHBondContact O-N 3.28Å; D463-S466 VanDerWaalsContact O-CB 3.25Å; D463-S466 WeakPolarHBondContact O-CB 3.49Å; D463-S466 PolarHBondContact O-N 3.15Å
464P43.9Very low61.1Low105 Ų10589.3 Ų89.368%0.68250%0.502SS*.THydrogen-bonded Turntrans-61.5-20.7-173.521.2-32.4000112.8P462P462-P464 WeakPolarHBondContact O-CD 3.47Å; P462-P464 VanDerWaalsContact O-N 3.16Å
465N37.5Very low59.3Low119 Ų11988.6 Ų88.664%0.63649%0.493SS*.THydrogen-bonded Turntrans-82-18.6172.9-66.5-37.2000114D463 A467 M468D463-N465 PolarHBondContact O-N 3.28Å; N465-A467 VanDerWaalsContact C-N 3.28Å; N465-A467 PolarHBondContact O-N 3.45Å; N465-M468 PolarHBondContact O-N 3.01Å
466S42.2Very low57.3Low61 Ų6191.2 Ų91.243%0.42751%0.509SS..G310 helixtrans-68.2-29.4179-167.80000112.1D463 M468 A469D463-S466 VanDerWaalsContact O-CB 3.25Å; D463-S466 WeakPolarHBondContact O-CB 3.49Å; D463-S466 PolarHBondContact O-N 3.15Å; S466-M468 PolarHBondContact O-N 2.73Å; S466-A469 PolarHBondContact O-N 2.94Å
467A35Very low54.9Low88 Ų8896.6 Ų96.673%0.72754%0.539SS*.G310 helixtrans-67.8-20.2174.800000113.8N465N465-A467 VanDerWaalsContact C-N 3.28Å; N465-A467 PolarHBondContact O-N 3.45Å
468M33.2Very low52.4Low174 Ų17499.9 Ų99.986%0.85756%0.562SS**G310 helixtrans-96.2-7.8177.5-74.4-170.416600114N465 S466N465-M468 PolarHBondContact O-N 3.01Å; S466-M468 PolarHBondContact O-N 2.73Å
469A31.3Very low49.6Very low76 Ų7698.4 Ų98.463%0.62856%0.561SS**SBendtrans-101.84.7-17500000114.3S466 P471S466-A469 PolarHBondContact O-N 2.94Å; A469-P471 WeakPolarHBondContact O-CD 3.37Å
470M34.1Very low46.5Very low102 Ų102103.8 Ų103.850%0.50259%0.593SS.*  trans-89.3110.4175.3-70.8-70.8166.900110W384W384-M470 HydrophobicContact CD2-SD 4.34Å; W384-M470 HydrophobicContact CZ2-SD 4.48Å
471P35.6Very low42.9Very low102 Ų102110.7 Ų110.766%0.66264%0.635SS**  trans-65.5142.9169.528.9-33.1000110.1A469A469-P471 WeakPolarHBondContact O-CD 3.37Å
472K33.3Very low39.6Very low276 Ų276117.3 Ų117.3100%1.267%0.674SS**  trans-71.70174.9-69.4-175.8175.8-176.90112.2

Retrieved 472 of 472 residues in 237.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).