A0A096N2Y4_PAPAN Loading...

Nuclear receptor subfamily 1 group I member 3

Binds and transactivates the retinoic acid response elements that control expression of the retinoic acid receptor beta 2 and alcohol dehydrogenase 3 genes. Transactivates both the phenobarbital responsive element module of the human CYP2B6 gene and the CYP3A4 xenobiotic response element.

AlphaFold DB , UniProt , Accession A0A096N2Y4, Species PAPAN (Papio anubis, Olive baboon), Gene NR1I3, Length 357 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.6Very low59.3Low248 Ų248140.7 Ų140.7100%1.22271%0.712SS**  097.70-64.7176.293.400107.6
2A34.7Very low62.4Low107 Ų107135.3 Ų135.388%0.88469%0.691SS**  trans-77.6132.8177.700000109.6
3S40.6Very low65.2Low117 Ų117124.8 Ų124.882%0.81864%0.638SS**  trans-65.8145.5-173.546.20000113.4E5S3-E5 PolarHBondContact O-N 3.49Å
4R47.1Very low67.4Low249 Ų249116.4 Ų116.494%0.9460%0.595SS**SBendtrans-75.662.9-172.2-69.2171.9162.6-167.2-3.3114.9
5E48.8Very low69.3Low174 Ų174111.7 Ų111.781%0.81359%0.588SS**  trans-148.546.1171.4-74.5-165.9161.400114.3S3S3-E5 PolarHBondContact O-N 3.49Å
6D46.8Very low71Confident147 Ų147106.2 Ų106.279%0.78656%0.559SS**  trans-102.852.9160.1-158.622.1000109.7L8D6-L8 PolarHBondContact O-N 3.31Å; D6-L8 VanDerWaalsContact O-N 3.14Å
7E58.3Low72.5Confident158 Ų158106.8 Ų106.874%0.73856%0.558SS**  trans-61.8115.7162-84.5-172.516100107R9E7-R9 PolarHBondContact O-N 3.36Å
8L64.6Low73.8Confident114 Ų114101.8 Ų101.860%0.59753%0.534SS*.  trans-54.187.1172-82147.2000110D6 N10D6-L8 PolarHBondContact O-N 3.31Å; D6-L8 VanDerWaalsContact O-N 3.14Å; L8-N10 PolarHBondContact O-N 3.35Å; L8-N10 VanDerWaalsContact O-N 3.07Å
9R85.2Confident74.9Confident139 Ų139100.7 Ų100.753%0.52553%0.533SS..  trans-68.1106.5179.2-83.4-176.7-169.5-173.65.9108.2E7 A18 L26E7-R9 PolarHBondContact O-N 3.36Å; R9-A18 WeakPolarHBondContact O-CA 3.34Å; R9-A18 WeakPolarHBondContact O-CB 3.4Å; R9-A18 PolarHBondContact O-N 2.86Å; R9-L26 HydrophobicContact CB-CD1 4.45Å; R9-L26 HydrophobicContact CB-CD2 3.97Å; R9-L26 HydrophobicContact CG-CD2 4.15Å
10N95.5Very high75.8Confident93 Ų9396.9 Ų96.950%0.49752%0.518SS..BIsolated β-bridgetrans-83.7143.5-179.2-69.1-33.9000111.3L8 V12L8-N10 PolarHBondContact O-N 3.35Å; L8-N10 VanDerWaalsContact O-N 3.07Å; N10-V12 PolarHBondContact O-N 2.84Å
11C97.3Very high76.8Confident2 Ų299.8 Ų99.81%0.01452%0.523CS..  trans-62.7117.6175.4172.90000109.7V13 C14 G15 D16 C28C11-V13 PolarHBondContact O-N 3.18Å; C11-C14 PolarHBondContact O-N 3.38Å; C11-G15 WeakPolarHBondContact O-CA 3.49Å; C11-G15 PolarHBondContact O-N 3.34Å; C11-D16 WeakPolarHBondContact CA-O 3.34Å; C11-D16 WeakPolarHBondContact CB-O 3.05Å; C11-D16 PolarHBondContact N-O 3.47Å; C11-C28 HydrophobicContact CB-CB 3.99Å; C11-C28 PolarHBondContact SG-N 3.47Å; C11-C28 VanDerWaalsContact SG-SG 3.67Å
12V96.7Very high79.7Confident75 Ų7589.3 Ų89.346%0.45547%0.471SS..THydrogen-bonded Turntrans-61.6-15.3-176.4-59.80000113.9N10 A25 L26 T27 A74N10-V12 PolarHBondContact O-N 2.84Å; V12-A25 HydrophobicContact CG2-CB 4.23Å; V12-L26 HydrophobicContact CG1-CB 4.4Å; V12-L26 WeakPolarHBondContact CG2-O 3.15Å; V12-L26 PolarHBondContact N-O 3.09Å; V12-L26 VanDerWaalsContact N-O 3.08Å; V12-T27 HydrophobicContact CG2-CG2 4.22Å; V12-A74 HydrophobicContact CG2-CB 3.62Å
13V97.8Very high82.6Confident0 Ų085.9 Ų85.90%044%0.436CS..THydrogen-bonded Turntrans-89.1-43.6178.81790000112.5C11 T27 C31 V55 R67 K70 A74 M76C11-V13 PolarHBondContact O-N 3.18Å; V13-T27 HydrophobicContact CG2-CG2 3.93Å; V13-C31 HydrophobicContact CB-CB 4.26Å; V13-C31 HydrophobicContact CG1-CB 4.39Å; V13-C31 HydrophobicContact CG2-CB 4.49Å; V13-V55 HydrophobicContact CG1-CG1 4.14Å; V13-V55 WeakPolarHBondContact O-CG1 3.16Å; V13-R67 HydrophobicContact CG1-CG 4.36Å; V13-K70 HydrophobicContact CG1-CB 4.42Å; V13-K70 HydrophobicContact CG1-CG 4.39Å; V13-K70 WeakPolarHBondContact O-CD 2.9Å; V13-K70 WeakPolarHBondContact O-CE 3.08Å; V13-K70 PolarHBondContact O-NZ 3.35Å; V13-A74 HydrophobicContact CG2-CB 4.1Å; V13-M76 HydrophobicContact CG2-SD 4.38Å
14C96.8Very high85.2Confident6 Ų684.8 Ų84.84%0.04142%0.421CS..THydrogen-bonded Turntrans-1340.6-168.6700000115.2C11 D16 V55 S56 K57 R60C11-C14 PolarHBondContact O-N 3.38Å; C14-D16 PolarHBondContact O-N 3.22Å; C14-D16 VanDerWaalsContact O-N 3.17Å; C14-D16 VanDerWaalsContact SG-CB 3.57Å; C14-V55 HydrophobicContact CB-CG1 4.14Å; C14-S56 CarbonylContact O-C 3.52Å; C14-S56 VanDerWaalsContact O-C 3.26Å; C14-S56 WeakPolarHBondContact O-CA 3.42Å; C14-K57 PolarHBondContact O-N 3.05Å; C14-R60 HydrophobicContact CB-CB 4.23Å; C14-R60 PolarHBondContact SG-NH1 3.32Å
15G95.4Very high87.5Confident47 Ų4773.1 Ų73.149%0.48538%0.378SS..SBendtrans72.5-0.8-179.700000115.6C11C11-G15 WeakPolarHBondContact O-CA 3.49Å; C11-G15 PolarHBondContact O-N 3.34Å
16D96.4Very high89.8Confident23 Ų2366.1 Ų66.112%0.12335%0.346CS..SBendtrans-67163.1170.7-161.38000111.1C11 C14 A18 C28 K57 R60C11-D16 WeakPolarHBondContact CA-O 3.34Å; C11-D16 WeakPolarHBondContact CB-O 3.05Å; C11-D16 PolarHBondContact N-O 3.47Å; C14-D16 PolarHBondContact O-N 3.22Å; C14-D16 VanDerWaalsContact O-N 3.17Å; C14-D16 VanDerWaalsContact SG-CB 3.57Å; D16-A18 PolarHBondContact O-N 3.1Å; D16-C28 HydrophobicContact CB-CB 4.18Å; D16-K57 HydrophobicContact CB-CB 4.16Å; D16-K57 HydrophobicContact CB-CD 4.11Å; D16-K57 HydrophobicContact CB-CG 4.03Å; D16-K57 VanDerWaalsContact OD1-CD 3.24Å; D16-K57 WeakPolarHBondContact OD1-CD 3.19Å; D16-K57 WeakPolarHBondContact OD1-CE 3.38Å; D16-K57 IonicContact OD1-NZ 3.08Å; D16-K57 PolarHBondContact OD1-NZ 2.87Å; D16-R60 IonicContact OD2-CZ 3.71Å; D16-R60 VanDerWaalsContact OD2-CZ 3.28Å; D16-R60 IonicContact OD2-NH1 2.93Å; D16-R60 PolarHBondContact OD2-NH1 3.1Å; D16-R60 IonicContact OD2-NH2 3.59Å; D16-R60 PolarHBondContact OD2-NH2 3.39Å
17Q96Very high92.2Very high117 Ų11759.1 Ų59.155%0.54731%0.308SS..BIsolated β-bridgetrans-60.9124.9179.3-167.6171.618.400110.7C28Q17-C28 WeakPolarHBondContact O-CB 3.42Å
18A96.2Very high94.1Very high16 Ų1651.7 Ų51.713%0.13227%0.274CS..PPolyproline II helixtrans-76.5144.1178.500000110.5R9 D16 L26R9-A18 WeakPolarHBondContact O-CA 3.34Å; R9-A18 WeakPolarHBondContact O-CB 3.4Å; R9-A18 PolarHBondContact O-N 2.86Å; D16-A18 PolarHBondContact O-N 3.1Å; A18-L26 HydrophobicContact CB-CD1 3.81Å; A18-L26 HydrophobicContact CB-CG 3.81Å
19T94.9Very high95.6Very high82 Ų8250.8 Ų50.850%0.50327%0.267SS..  trans-101.8-3.6175.1560000112.5H22 T27 E29T19-H22 PolarHBondContact OG1-NE2 3.49Å; T19-T27 PolarHBondContact N-O 3.17Å; T19-E29 HydrophobicContact CG2-CG 3.89Å; T19-E29 PolarHBondContact OG1-OE1 2.96Å
20G93.7Very high96.1Very high24 Ų2445.6 Ų45.625%0.24726%0.257CS..EExtended strand (participates in β ladder)trans143.8-171.3179.200000112.6H22 L26 T27G20-H22 PolarHBondContact O-CD2 2.99Å; G20-L26 WeakPolarHBondContact O-CA 3.42Å; G20-T27 PolarHBondContact O-N 2.83Å
21Y95.4Very high96.3Very high158 Ų15841.2 Ų41.262%0.6223%0.233SC*.EExtended strand (participates in β ladder)trans-80.4120.8173.7-75.1-98.4000110.2A25 L26Y21-A25 WeakPolarHBondContact CA-O 3.46Å; Y21-L26 HydrophobicContact CD1-CB 4.36Å; Y21-L26 HydrophobicContact CD2-CD1 4.15Å; Y21-L26 HydrophobicContact CE1-CB 4.13Å; Y21-L26 HydrophobicContact CE2-CB 4.44Å; Y21-L26 HydrophobicContact CE2-CD1 4.07Å
22H95.8Very high96.2Very high28 Ų2843.4 Ų43.413%0.1324%0.243CC..EExtended strand (participates in β ladder)trans-123.5126.3175.1-55.9-69.9000109.3T19 G20 N24 A25 T27 E29 K32T19-H22 PolarHBondContact OG1-NE2 3.49Å; G20-H22 PolarHBondContact O-CD2 2.99Å; H22-N24 PolarHBondContact O-N 3.02Å; H22-A25 PolarHBondContact N-O 2.94Å; H22-A25 PolarHBondContact O-N 3.49Å; H22-A25 VanDerWaalsContact O-N 3.11Å; H22-T27 PolarHBondContact CD2-O 3.17Å; H22-T27 PolarHBondContact CD2-OG1 2.93Å; H22-E29 IonicContact CE1-OE1 3.28Å; H22-E29 PolarHBondContact CE1-OE1 3.21Å; H22-E29 IonicContact NE2-OE1 2.75Å; H22-E29 PolarHBondContact NE2-OE1 2.96Å; H22-K32 HydrophobicContact CB-CB 3.94Å; H22-K32 HydrophobicContact CB-CD 4.32Å; H22-K32 HydrophobicContact CB-CG 3.82Å; H22-K32 PolarHBondContact CE1-NZ 3.15Å; H22-K32 WeakPolarHBondContact ND1-CD 3.32Å; H22-K32 VanDerWaalsContact ND1-CE 3.29Å; H22-K32 WeakPolarHBondContact ND1-CE 3.49Å
23F95.3Very high96.2Very high35 Ų3540.2 Ų40.215%0.15423%0.225CC..THydrogen-bonded Turntrans52.537.3-179-46.7-67.3000113.2K32 F35 R36 M76 R77 M80 I81F23-K32 HydrophobicContact CE2-CG 3.85Å; F23-F35 HydrophobicContact CB-CD1 4.25Å; F23-F35 HydrophobicContact CB-CE1 4.13Å; F23-F35 AromaticContact CD2-CD1 3.77Å; F23-F35 HydrophobicContact CD2-CD1 3.77Å; F23-F35 HydrophobicContact CD2-CE1 4.43Å; F23-F35 HydrophobicContact CE2-CD1 4.35Å; F23-F35 HydrophobicContact CG-CD1 4.08Å; F23-F35 HydrophobicContact CG-CE1 4.3Å; F23-R36 HydrophobicContact CE2-CB 4.12Å; F23-R36 HydrophobicContact CZ-CB 4Å; F23-R36 HydrophobicContact CZ-CG 4.25Å; F23-M76 HydrophobicContact CB-CB 4.49Å; F23-M76 HydrophobicContact CB-CE 4.14Å; F23-M76 HydrophobicContact CD2-CE 3.57Å; F23-M76 HydrophobicContact CG-CE 4.33Å; F23-M76 CarbonylContact O-C 3.6Å; F23-M76 VanDerWaalsContact O-CA 3.25Å; F23-M76 WeakPolarHBondContact O-CA 3.44Å; F23-R77 PolarHBondContact O-N 3.41Å; F23-M80 HydrophobicContact CB-CB 4.38Å; F23-M80 HydrophobicContact CD1-CB 4.06Å; F23-I81 HydrophobicContact CD1-CG1 3.63Å; F23-I81 HydrophobicContact CE1-CB 4.36Å; F23-I81 HydrophobicContact CE1-CD1 4.49Å; F23-I81 HydrophobicContact CE1-CG1 3.42Å; F23-I81 VanDerWaalsContact CE1-CG1 3.42Å; F23-I81 HydrophobicContact CG-CG1 4.36Å; F23-I81 HydrophobicContact CZ-CG1 3.98Å
24N95.3Very high96.1Very high94 Ų9441.1 Ų41.150%0.50323%0.229SC..THydrogen-bonded Turntrans80.69-178.8-158.765000117.1H22 R77H22-N24 PolarHBondContact O-N 3.02Å; N24-R77 HydrophobicContact CB-CG 4.02Å
25A95.9Very high96.1Very high4 Ų440.9 Ų40.93%0.03323%0.227CC..EExtended strand (participates in β ladder)trans-133.2142.8174.400000112.8V12 Y21 H22 T27 A74 M76V12-A25 HydrophobicContact CG2-CB 4.23Å; Y21-A25 WeakPolarHBondContact CA-O 3.46Å; H22-A25 PolarHBondContact N-O 2.94Å; H22-A25 PolarHBondContact O-N 3.49Å; H22-A25 VanDerWaalsContact O-N 3.11Å; A25-T27 HydrophobicContact CB-CG2 4.07Å; A25-T27 PolarHBondContact O-N 3.24Å; A25-T27 VanDerWaalsContact O-N 3.1Å; A25-T27 PolarHBondContact O-OG1 3.08Å; A25-A74 WeakPolarHBondContact CB-O 3.27Å; A25-M76 HydrophobicContact CB-CG 3.55Å
26L96.3Very high96Very high26 Ų2644.9 Ų44.914%0.13623%0.228CC..EExtended strand (participates in β ladder)trans-69.5102.1177.3-17864.8000110.6R9 V12 A18 G20 Y21R9-L26 HydrophobicContact CB-CD1 4.45Å; R9-L26 HydrophobicContact CB-CD2 3.97Å; R9-L26 HydrophobicContact CG-CD2 4.15Å; V12-L26 HydrophobicContact CG1-CB 4.4Å; V12-L26 WeakPolarHBondContact CG2-O 3.15Å; V12-L26 PolarHBondContact N-O 3.09Å; V12-L26 VanDerWaalsContact N-O 3.08Å; A18-L26 HydrophobicContact CB-CD1 3.81Å; A18-L26 HydrophobicContact CB-CG 3.81Å; G20-L26 WeakPolarHBondContact O-CA 3.42Å; Y21-L26 HydrophobicContact CD1-CB 4.36Å; Y21-L26 HydrophobicContact CD2-CD1 4.15Å; Y21-L26 HydrophobicContact CE1-CB 4.13Å; Y21-L26 HydrophobicContact CE2-CB 4.44Å; Y21-L26 HydrophobicContact CE2-CD1 4.07Å
27T97.6Very high95.7Very high0 Ų051 Ų510%025%0.249CC..EExtended strand (participates in β ladder)trans-137.8161.2-17057.30000113.2V12 V13 T19 G20 H22 A25 M76V12-T27 HydrophobicContact CG2-CG2 4.22Å; V13-T27 HydrophobicContact CG2-CG2 3.93Å; T19-T27 PolarHBondContact N-O 3.17Å; G20-T27 PolarHBondContact O-N 2.83Å; H22-T27 PolarHBondContact CD2-O 3.17Å; H22-T27 PolarHBondContact CD2-OG1 2.93Å; A25-T27 HydrophobicContact CB-CG2 4.07Å; A25-T27 PolarHBondContact O-N 3.24Å; A25-T27 VanDerWaalsContact O-N 3.1Å; A25-T27 PolarHBondContact O-OG1 3.08Å; T27-M76 HydrophobicContact CG2-CE 4.47Å; T27-M76 HydrophobicContact CG2-SD 4Å
28C97.1Very high95.6Very high3 Ų346.1 Ų46.12%0.0223%0.227CC..  trans-78.6162.4169.569.80000111.5C11 D16 Q17 G30 C31 K32 R60C11-C28 HydrophobicContact CB-CB 3.99Å; C11-C28 PolarHBondContact SG-N 3.47Å; C11-C28 VanDerWaalsContact SG-SG 3.67Å; D16-C28 HydrophobicContact CB-CB 4.18Å; Q17-C28 WeakPolarHBondContact O-CB 3.42Å; C28-G30 PolarHBondContact O-N 3.18Å; C28-G30 VanDerWaalsContact O-N 3.14Å; C28-C31 PolarHBondContact O-N 3.26Å; C28-C31 VanDerWaalsContact O-N 3.15Å; C28-C31 PolarHBondContact SG-N 2.94Å; C28-C31 VanDerWaalsContact SG-N 3.38Å; C28-K32 PolarHBondContact O-N 3.46Å; C28-K32 VanDerWaalsContact O-N 3.07Å; C28-R60 PolarHBondContact SG-NH1 2.88Å
29E96.9Very high95.3Very high94 Ų9446.2 Ų46.244%0.43923%0.226SC..Hα-helixtrans-56.5-31.9175.5-71-58126.500113.1T19 H22 K32 G33T19-E29 HydrophobicContact CG2-CG 3.89Å; T19-E29 PolarHBondContact OG1-OE1 2.96Å; H22-E29 IonicContact CE1-OE1 3.28Å; H22-E29 PolarHBondContact CE1-OE1 3.21Å; H22-E29 IonicContact NE2-OE1 2.75Å; H22-E29 PolarHBondContact NE2-OE1 2.96Å; E29-K32 VanDerWaalsContact CD-NZ 3.27Å; E29-K32 IonicContact OE1-NZ 3.84Å; E29-K32 PolarHBondContact OE1-NZ 2.79Å; E29-K32 WeakPolarHBondContact OE2-CD 3.26Å; E29-K32 IonicContact OE2-NZ 3.78Å; E29-K32 PolarHBondContact OE2-NZ 3.36Å; E29-G33 PolarHBondContact O-N 3.04Å
30G96.8Very high94.8Very high31 Ų3145.5 Ų45.532%0.3222%0.224SC..Hα-helixtrans-63.3-45177.900000113.1C28 F34 R67C28-G30 PolarHBondContact O-N 3.18Å; C28-G30 VanDerWaalsContact O-N 3.14Å; G30-F34 VanDerWaalsContact O-CB 3.3Å; G30-F34 WeakPolarHBondContact O-CB 3.4Å; G30-F34 PolarHBondContact O-N 3.07Å; G30-F34 VanDerWaalsContact O-N 3.12Å; G30-R67 PolarHBondContact O-NH2 3.15Å
31C97.8Very high94.4Very high0 Ų050.4 Ų50.40%024%0.239CC..Hα-helixtrans-77.6-36.9179.7-69.60000112V13 C28 F34 F35 R67V13-C31 HydrophobicContact CB-CB 4.26Å; V13-C31 HydrophobicContact CG1-CB 4.39Å; V13-C31 HydrophobicContact CG2-CB 4.49Å; C28-C31 PolarHBondContact O-N 3.26Å; C28-C31 VanDerWaalsContact O-N 3.15Å; C28-C31 PolarHBondContact SG-N 2.94Å; C28-C31 VanDerWaalsContact SG-N 3.38Å; C31-F34 PolarHBondContact O-N 2.82Å; C31-F35 WeakPolarHBondContact O-CB 3.45Å; C31-F35 PolarHBondContact O-N 3.21Å; C31-R67 PolarHBondContact SG-NH2 2.96Å
32K96.9Very high93.5Very high48 Ų4849 Ų4921%0.20925%0.252CS..Hα-helixtrans-53.1-54.7168.5172.6-161-168.61770111.9H22 F23 C28 E29 F34 F35 R36H22-K32 HydrophobicContact CB-CB 3.94Å; H22-K32 HydrophobicContact CB-CD 4.32Å; H22-K32 HydrophobicContact CB-CG 3.82Å; H22-K32 PolarHBondContact CE1-NZ 3.15Å; H22-K32 WeakPolarHBondContact ND1-CD 3.32Å; H22-K32 VanDerWaalsContact ND1-CE 3.29Å; H22-K32 WeakPolarHBondContact ND1-CE 3.49Å; F23-K32 HydrophobicContact CE2-CG 3.85Å; C28-K32 PolarHBondContact O-N 3.46Å; C28-K32 VanDerWaalsContact O-N 3.07Å; E29-K32 VanDerWaalsContact CD-NZ 3.27Å; E29-K32 IonicContact OE1-NZ 3.84Å; E29-K32 PolarHBondContact OE1-NZ 2.79Å; E29-K32 WeakPolarHBondContact OE2-CD 3.26Å; E29-K32 IonicContact OE2-NZ 3.78Å; E29-K32 PolarHBondContact OE2-NZ 3.36Å; K32-F34 VanDerWaalsContact C-N 3.33Å; K32-F34 PolarHBondContact O-N 2.74Å; K32-F35 PolarHBondContact O-N 3.23Å; K32-R36 WeakPolarHBondContact O-CB 3.19Å; K32-R36 PolarHBondContact O-N 3.08Å; K32-R36 VanDerWaalsContact O-N 3.1Å
33G95.3Very high93Very high8 Ų854.4 Ų54.48%0.08228%0.28CS..Hα-helixtrans-64.7-37.6-178.700000112.7E29 R37E29-G33 PolarHBondContact O-N 3.04Å; G33-R37 WeakPolarHBondContact O-CG 3.19Å; G33-R37 PolarHBondContact O-N 3.38Å; G33-R37 PolarHBondContact O-NE 3.17Å; G33-R37 PolarHBondContact O-NH1 3.2Å
34F96.8Very high92.5Very high20 Ų2054.6 Ų54.69%0.08829%0.293CS..Hα-helixtrans-63.6-53.3175.4171.8-99.4000111.9G30 C31 K32 R36 R37 T38 P64 R67 L68G30-F34 VanDerWaalsContact O-CB 3.3Å; G30-F34 WeakPolarHBondContact O-CB 3.4Å; G30-F34 PolarHBondContact O-N 3.07Å; G30-F34 VanDerWaalsContact O-N 3.12Å; C31-F34 PolarHBondContact O-N 2.82Å; K32-F34 VanDerWaalsContact C-N 3.33Å; K32-F34 PolarHBondContact O-N 2.74Å; F34-R36 PolarHBondContact O-N 3.31Å; F34-R37 PolarHBondContact O-N 3.32Å; F34-R37 VanDerWaalsContact O-N 3.17Å; F34-T38 HydrophobicContact CE2-CG2 4.2Å; F34-T38 WeakPolarHBondContact CE2-OG1 3.44Å; F34-T38 HydrophobicContact CZ-CG2 3.97Å; F34-T38 WeakPolarHBondContact O-CB 3.49Å; F34-T38 PolarHBondContact O-N 3.36Å; F34-T38 PolarHBondContact O-OG1 2.83Å; F34-P64 HydrophobicContact CE2-CB 4.02Å; F34-P64 HydrophobicContact CZ-CB 4.15Å; F34-P64 VanDerWaalsContact CZ-O 3.26Å; F34-P64 WeakPolarHBondContact CZ-O 3.39Å; F34-R67 HydrophobicContact CD1-CG 3.79Å; F34-R67 HydrophobicContact CE1-CB 3.94Å; F34-R67 HydrophobicContact CE1-CG 3.62Å; F34-R67 HydrophobicContact CZ-CB 4.17Å; F34-R67 HydrophobicContact CZ-CG 4.23Å; F34-L68 HydrophobicContact CE1-CB 3.9Å; F34-L68 HydrophobicContact CE1-CD1 4.33Å; F34-L68 HydrophobicContact CZ-CB 4.05Å
35F96.1Very high92.3Very high0 Ų052.1 Ų52.10%028%0.281CS..Hα-helixtrans-56.4-49.4-179.4-174.9-104.4000111.3F23 C31 K32 R37 T38 V39 L68 C71 L72 M76 I81F23-F35 HydrophobicContact CB-CD1 4.25Å; F23-F35 HydrophobicContact CB-CE1 4.13Å; F23-F35 AromaticContact CD2-CD1 3.77Å; F23-F35 HydrophobicContact CD2-CD1 3.77Å; F23-F35 HydrophobicContact CD2-CE1 4.43Å; F23-F35 HydrophobicContact CE2-CD1 4.35Å; F23-F35 HydrophobicContact CG-CD1 4.08Å; F23-F35 HydrophobicContact CG-CE1 4.3Å; C31-F35 WeakPolarHBondContact O-CB 3.45Å; C31-F35 PolarHBondContact O-N 3.21Å; K32-F35 PolarHBondContact O-N 3.23Å; F35-R37 VanDerWaalsContact C-N 3.27Å; F35-R37 PolarHBondContact O-N 3.35Å; F35-T38 PolarHBondContact O-N 3.05Å; F35-T38 VanDerWaalsContact O-N 3.15Å; F35-V39 HydrophobicContact CD1-CG1 4.21Å; F35-V39 HydrophobicContact CD2-CB 4.17Å; F35-V39 HydrophobicContact CD2-CG2 4.39Å; F35-V39 HydrophobicContact CE1-CB 4.41Å; F35-V39 HydrophobicContact CE1-CG1 3.96Å; F35-V39 HydrophobicContact CE1-CG2 4.48Å; F35-V39 HydrophobicContact CE2-CB 3.93Å; F35-V39 HydrophobicContact CE2-CG1 4.37Å; F35-V39 HydrophobicContact CE2-CG2 3.68Å; F35-V39 HydrophobicContact CZ-CB 4.06Å; F35-V39 HydrophobicContact CZ-CG1 4.05Å; F35-V39 HydrophobicContact CZ-CG2 3.74Å; F35-V39 WeakPolarHBondContact O-CB 3.44Å; F35-V39 VanDerWaalsContact O-CG1 3.27Å; F35-V39 WeakPolarHBondContact O-CG1 3.26Å; F35-V39 PolarHBondContact O-N 3.2Å; F35-L68 HydrophobicContact CD2-CD1 3.95Å; F35-L68 HydrophobicContact CE2-CD1 4.28Å; F35-C71 HydrophobicContact CD2-CB 3.49Å; F35-C71 VanDerWaalsContact CD2-CB 3.49Å; F35-C71 HydrophobicContact CE2-CB 4.02Å; F35-C71 HydrophobicContact CG-CB 4.37Å; F35-L72 HydrophobicContact CE2-CD2 3.76Å; F35-L72 HydrophobicContact CE2-CG 4.26Å; F35-L72 HydrophobicContact CZ-CD2 4.13Å; F35-M76 HydrophobicContact CB-CE 3.53Å; F35-M76 HydrophobicContact CB-SD 4.01Å; F35-M76 HydrophobicContact CD1-CB 4.07Å; F35-M76 HydrophobicContact CD1-CE 3.67Å; F35-M76 HydrophobicContact CD1-SD 4.43Å; F35-M76 HydrophobicContact CD2-CB 3.98Å; F35-M76 HydrophobicContact CD2-CE 4.36Å; F35-M76 HydrophobicContact CD2-SD 4.13Å; F35-M76 HydrophobicContact CE1-CB 3.76Å; F35-M76 HydrophobicContact CE1-CE 4.46Å; F35-M76 HydrophobicContact CE2-CB 3.66Å; F35-M76 HydrophobicContact CG-CB 4.16Å; F35-M76 HydrophobicContact CG-CE 3.59Å; F35-M76 HydrophobicContact CG-SD 3.94Å; F35-M76 HydrophobicContact CZ-CB 3.54Å; F35-M76 WeakPolarHBondContact CZ-O 3.3Å; F35-I81 HydrophobicContact CD1-CD1 4Å; F35-I81 HydrophobicContact CE1-CD1 3.91Å
36R93.3Very high92.2Very high132 Ų13257.9 Ų57.950%0.49832%0.316SS..Hα-helixtrans-54.4-38.4178.3-174.3179.165.6-170.4-0.3113.8F23 K32 F34 I81F23-R36 HydrophobicContact CE2-CB 4.12Å; F23-R36 HydrophobicContact CZ-CB 4Å; F23-R36 HydrophobicContact CZ-CG 4.25Å; K32-R36 WeakPolarHBondContact O-CB 3.19Å; K32-R36 PolarHBondContact O-N 3.08Å; K32-R36 VanDerWaalsContact O-N 3.1Å; F34-R36 PolarHBondContact O-N 3.31Å; R36-I81 HydrophobicContact CG-CG2 4.32Å
37R90.9Very high92.1Very high152 Ų15258 Ų5857%0.57432%0.319SS*.Hα-helixtrans-84.5-24.1-177.7-71.9-172.6-61.1-93.9-2.8113.5G33 F34 F35 K41G33-R37 WeakPolarHBondContact O-CG 3.19Å; G33-R37 PolarHBondContact O-N 3.38Å; G33-R37 PolarHBondContact O-NE 3.17Å; G33-R37 PolarHBondContact O-NH1 3.2Å; F34-R37 PolarHBondContact O-N 3.32Å; F34-R37 VanDerWaalsContact O-N 3.17Å; F35-R37 VanDerWaalsContact C-N 3.27Å; F35-R37 PolarHBondContact O-N 3.35Å; R37-K41 VanDerWaalsContact O-CE 3.29Å; R37-K41 WeakPolarHBondContact O-CE 3.37Å
38T92.5Very high91.8Very high14 Ų1462.6 Ų62.69%0.08635%0.349CS..Hα-helixtrans-105.4-38.5-167-49.20000112.3F34 F35 S40 K41 P45 L68F34-T38 HydrophobicContact CE2-CG2 4.2Å; F34-T38 WeakPolarHBondContact CE2-OG1 3.44Å; F34-T38 HydrophobicContact CZ-CG2 3.97Å; F34-T38 WeakPolarHBondContact O-CB 3.49Å; F34-T38 PolarHBondContact O-N 3.36Å; F34-T38 PolarHBondContact O-OG1 2.83Å; F35-T38 PolarHBondContact O-N 3.05Å; F35-T38 VanDerWaalsContact O-N 3.15Å; T38-S40 PolarHBondContact O-N 2.88Å; T38-K41 PolarHBondContact O-N 3.14Å; T38-P45 HydrophobicContact CG2-CG 3.83Å; T38-L68 HydrophobicContact CG2-CD1 4.41Å; T38-L68 HydrophobicContact CG2-CD2 3.92Å
39V91.6Very high91.5Very high18 Ų1869 Ų6911%0.10938%0.377CS..THydrogen-bonded Turntrans-68.4-19.1-173.579.10000114F35 L68 L72 K78 I81F35-V39 HydrophobicContact CD1-CG1 4.21Å; F35-V39 HydrophobicContact CD2-CB 4.17Å; F35-V39 HydrophobicContact CD2-CG2 4.39Å; F35-V39 HydrophobicContact CE1-CB 4.41Å; F35-V39 HydrophobicContact CE1-CG1 3.96Å; F35-V39 HydrophobicContact CE1-CG2 4.48Å; F35-V39 HydrophobicContact CE2-CB 3.93Å; F35-V39 HydrophobicContact CE2-CG1 4.37Å; F35-V39 HydrophobicContact CE2-CG2 3.68Å; F35-V39 HydrophobicContact CZ-CB 4.06Å; F35-V39 HydrophobicContact CZ-CG1 4.05Å; F35-V39 HydrophobicContact CZ-CG2 3.74Å; F35-V39 WeakPolarHBondContact O-CB 3.44Å; F35-V39 VanDerWaalsContact O-CG1 3.27Å; F35-V39 WeakPolarHBondContact O-CG1 3.26Å; F35-V39 PolarHBondContact O-N 3.2Å; V39-L68 HydrophobicContact CB-CD1 4.07Å; V39-L68 HydrophobicContact CG2-CD1 4.3Å; V39-L72 HydrophobicContact CG2-CD2 4.21Å; V39-K78 HydrophobicContact CG1-CB 4.15Å; V39-K78 HydrophobicContact CG1-CD 4.4Å; V39-K78 HydrophobicContact CG1-CG 3.99Å; V39-K78 HydrophobicContact CG2-CB 4.02Å; V39-K78 HydrophobicContact CG2-CD 4.22Å; V39-K78 HydrophobicContact CG2-CG 4.35Å; V39-K78 WeakPolarHBondContact O-CE 3.4Å; V39-K78 PolarHBondContact O-NZ 3.19Å; V39-K78 VanDerWaalsContact O-NZ 3.14Å; V39-I81 HydrophobicContact CG1-CD1 3.29Å
40S83.9Confident91.3Very high66 Ų6669 Ų6946%0.46239%0.392SS..THydrogen-bonded Turntrans-97.91.7179.5-60.20000114T38T38-S40 PolarHBondContact O-N 2.88Å
41K85.1Confident91.1Very high127 Ų12769.8 Ų69.855%0.55240%0.401SS*.  trans-74.4142175.3-65.8-175.2175.8-172.50110.4R37 T38 I43R37-K41 VanDerWaalsContact O-CE 3.29Å; R37-K41 WeakPolarHBondContact O-CE 3.37Å; T38-K41 PolarHBondContact O-N 3.14Å; K41-I43 VanDerWaalsContact C-N 3.32Å
42S76.7Confident90.9Very high128 Ų12874.6 Ų74.690%0.89544%0.435SS*.SBendtrans-65.5-37175.349.50000112.1
43I85.1Confident90.9Very high142 Ų14274 Ų7473%0.72844%0.436SS*.SBendtrans-108.3110.2174.1-57.9172.2000107.7K41K41-I43 VanDerWaalsContact C-N 3.32Å
44G84.4Confident90.9Very high40 Ų4080.4 Ų80.441%0.41246%0.464SS..PPolyproline II helixtrans-71.8159174.800000112
45P91.3Very high90.9Very high41 Ų4179.9 Ų79.927%0.26646%0.462SS..PPolyproline II helixtrans-67.5137.5172.927.1-32.3000111.5T38 P64 A65 L68T38-P45 HydrophobicContact CG2-CG 3.83Å; P45-P64 HydrophobicContact CB-CB 3.77Å; P45-P64 HydrophobicContact CG-CB 4.05Å; P45-A65 HydrophobicContact CB-CB 4.28Å; P45-A65 HydrophobicContact CG-CB 4.44Å; P45-A65 WeakPolarHBondContact O-CB 3.32Å; P45-L68 HydrophobicContact CG-CD2 4.21Å
46T93.6Very high90.9Very high125 Ų12581.1 Ų81.177%0.76747%0.471SS*.PPolyproline II helixtrans-95.1142.5173-48.20000110.4P48 A65T46-P48 WeakPolarHBondContact O-CD 3.17Å; T46-A65 VanDerWaalsContact C-CB 3.44Å
47C94.8Very high91Very high28 Ų2880.7 Ų80.719%0.18947%0.473CS..PPolyproline II helixtrans-73.4127173.6-172.20000109F49 G51 C53 A65 C66C47-F49 PolarHBondContact O-N 3.14Å; C47-F49 PolarHBondContact SG-N 2.68Å; C47-F49 VanDerWaalsContact SG-N 3.38Å; C47-G51 PolarHBondContact SG-N 2.71Å; C47-G51 VanDerWaalsContact SG-N 3.36Å; C47-C53 VanDerWaalsContact SG-SG 3.68Å; C47-A65 HydrophobicContact CB-CB 3.92Å; C47-A65 VanDerWaalsContact N-CB 3.26Å; C47-C66 VanDerWaalsContact SG-SG 3.65Å
48P90.8Very high91.2Very high97 Ų9780.5 Ų80.563%0.6348%0.481SS*.SBendtrans-80.94.8174.332.6-31.9000112.8T46T46-P48 WeakPolarHBondContact O-CD 3.17Å
49F91.9Very high91.2Very high139 Ų13983.6 Ų83.661%0.6150%0.495SS*.SBendtrans-126.3-149.5-176.9-49.5-76.5000109.9C47 G51 C53C47-F49 PolarHBondContact O-N 3.14Å; C47-F49 PolarHBondContact SG-N 2.68Å; C47-F49 VanDerWaalsContact SG-N 3.38Å; F49-G51 VanDerWaalsContact C-N 3.31Å; F49-G51 PolarHBondContact O-N 3.33Å; F49-C53 WeakPolarHBondContact CD2-SG 3.43Å
50A92.4Very high91.3Very high92 Ų9284.4 Ų84.476%0.7650%0.496SS*.SBendtrans-83.39.3-177.500000115.5S52A50-S52 VanDerWaalsContact C-N 3.25Å; A50-S52 PolarHBondContact O-N 3.36Å
51G91.5Very high91.8Very high48 Ų4891.3 Ų91.350%0.49551%0.512SS..SBendtrans78.30.1-179.200000115.6C47 F49 C66C47-G51 PolarHBondContact SG-N 2.71Å; C47-G51 VanDerWaalsContact SG-N 3.36Å; F49-G51 VanDerWaalsContact C-N 3.31Å; F49-G51 PolarHBondContact O-N 3.33Å; G51-C66 PolarHBondContact O-SG 2.86Å
52S94.3Very high92.2Very high102 Ų10291.4 Ų91.471%0.71351%0.514SS*.  trans-115.627.1-175.861.50000113.9A50 E54A50-S52 VanDerWaalsContact C-N 3.25Å; A50-S52 PolarHBondContact O-N 3.36Å; S52-E54 PolarHBondContact O-N 2.93Å
53C95.9Very high93.2Very high35 Ų3585.5 Ų85.524%0.23647%0.473CS..  trans-61.5136.8-177-56.30000112.2C47 F49 C63 C66C47-C53 VanDerWaalsContact SG-SG 3.68Å; F49-C53 WeakPolarHBondContact CD2-SG 3.43Å; C53-C63 HydrophobicContact CB-CB 3.85Å; C53-C66 HydrophobicContact CB-CB 3.88Å; C53-C66 PolarHBondContact N-SG 3.26Å
54E95.4Very high93.7Very high142 Ų14281.4 Ų81.466%0.66446%0.456SS*.  trans-64.7135.3173.8-164.8-169.9150.100111.5S52S52-E54 PolarHBondContact O-N 2.93Å
55V96.6Very high94.3Very high10 Ų1080.2 Ų80.26%0.06144%0.442CS..  trans-116.5100.9177.6-177.20000109.1V13 C14 R60 C66 R67 K70V13-V55 HydrophobicContact CG1-CG1 4.14Å; V13-V55 WeakPolarHBondContact O-CG1 3.16Å; C14-V55 HydrophobicContact CB-CG1 4.14Å; V55-R60 HydrophobicContact CG1-CB 3.96Å; V55-C66 HydrophobicContact CG2-CB 4.4Å; V55-R67 HydrophobicContact CG1-CB 4.37Å; V55-R67 HydrophobicContact CG1-CG 4.12Å; V55-R67 HydrophobicContact CG2-CB 4.36Å; V55-K70 HydrophobicContact CB-CD 3.71Å; V55-K70 HydrophobicContact CG1-CD 4.24Å; V55-K70 HydrophobicContact CG2-CD 4.05Å; V55-K70 PolarHBondContact O-NZ 2.86Å; V55-K70 VanDerWaalsContact O-NZ 3.1Å
56S96.6Very high94.5Very high26 Ų2678.8 Ų78.818%0.18243%0.433CS..  trans-123.4170.6176.568.30000111.5C14 I58 Q59 R60C14-S56 CarbonylContact O-C 3.52Å; C14-S56 VanDerWaalsContact O-C 3.26Å; C14-S56 WeakPolarHBondContact O-CA 3.42Å; S56-I58 PolarHBondContact O-N 3.23Å; S56-Q59 PolarHBondContact O-N 3.33Å; S56-Q59 VanDerWaalsContact O-N 3.17Å; S56-Q59 WeakPolarHBondContact OG-CB 3.01Å; S56-Q59 PolarHBondContact OG-N 3.39Å; S56-R60 WeakPolarHBondContact O-CB 3.22Å; S56-R60 WeakPolarHBondContact O-CG 3.25Å; S56-R60 PolarHBondContact O-N 3.03Å
57K95.3Very high94.7Very high123 Ų12373.6 Ų73.654%0.53540%0.399SS..THydrogen-bonded Turntrans-51.9-40.6179.2178.5176.2-178.1154.40112.3C14 D16 R60C14-K57 PolarHBondContact O-N 3.05Å; D16-K57 HydrophobicContact CB-CB 4.16Å; D16-K57 HydrophobicContact CB-CD 4.11Å; D16-K57 HydrophobicContact CB-CG 4.03Å; D16-K57 VanDerWaalsContact OD1-CD 3.24Å; D16-K57 WeakPolarHBondContact OD1-CD 3.19Å; D16-K57 WeakPolarHBondContact OD1-CE 3.38Å; D16-K57 IonicContact OD1-NZ 3.08Å; D16-K57 PolarHBondContact OD1-NZ 2.87Å; K57-R60 PolarHBondContact O-NE 2.92Å
58I95.1Very high94.8Very high148 Ų14873.3 Ų73.376%0.75940%0.395SS*.THydrogen-bonded Turntrans-77.2-45.3-179.1-59.7160.2000109.9S56S56-I58 PolarHBondContact O-N 3.23Å
59Q93.2Very high95.1Very high78 Ų7873.5 Ų73.536%0.36439%0.388SS..THydrogen-bonded Turntrans-97.4-4.8-167.4-65.1172.8-14.400115.6S56 R61 H62S56-Q59 PolarHBondContact O-N 3.33Å; S56-Q59 VanDerWaalsContact O-N 3.17Å; S56-Q59 WeakPolarHBondContact OG-CB 3.01Å; S56-Q59 PolarHBondContact OG-N 3.39Å; Q59-R61 PolarHBondContact O-N 3.34Å; Q59-H62 WeakPolarHBondContact CA-ND1 3.37Å; Q59-H62 WeakPolarHBondContact CB-ND1 3.14Å; Q59-H62 PolarHBondContact O-N 2.83Å; Q59-H62 PolarHBondContact O-ND1 3.11Å
60R93.9Very high95.4Very high36 Ų3670.3 Ų70.314%0.13637%0.374CS..THydrogen-bonded Turntrans-58.80.5-18065.5-173.7-179.6-176-4.8116.1C14 D16 C28 V55 S56 K57 R67C14-R60 HydrophobicContact CB-CB 4.23Å; C14-R60 PolarHBondContact SG-NH1 3.32Å; D16-R60 IonicContact OD2-CZ 3.71Å; D16-R60 VanDerWaalsContact OD2-CZ 3.28Å; D16-R60 IonicContact OD2-NH1 2.93Å; D16-R60 PolarHBondContact OD2-NH1 3.1Å; D16-R60 IonicContact OD2-NH2 3.59Å; D16-R60 PolarHBondContact OD2-NH2 3.39Å; C28-R60 PolarHBondContact SG-NH1 2.88Å; V55-R60 HydrophobicContact CG1-CB 3.96Å; S56-R60 WeakPolarHBondContact O-CB 3.22Å; S56-R60 WeakPolarHBondContact O-CG 3.25Å; S56-R60 PolarHBondContact O-N 3.03Å; K57-R60 PolarHBondContact O-NE 2.92Å; R60-R67 WeakPolarHBondContact O-CD 3.08Å; R60-R67 PolarHBondContact O-NH1 3.15Å
61R93.9Very high95.6Very high210 Ų21066 Ų6679%0.79234%0.338SS*.THydrogen-bonded Turntrans-101.2-16.7173.6-61.8-174.6-173.8-161.73.4113.2Q59Q59-R61 PolarHBondContact O-N 3.34Å
62H94.3Very high95.8Very high129 Ų12967 Ų6760%0.59733%0.332SS*.THydrogen-bonded Turntrans-69.9-39.1-174.1-64.893000113.4Q59Q59-H62 WeakPolarHBondContact CA-ND1 3.37Å; Q59-H62 WeakPolarHBondContact CB-ND1 3.14Å; Q59-H62 PolarHBondContact O-N 2.83Å; Q59-H62 PolarHBondContact O-ND1 3.11Å
63C96.4Very high95.9Very high5 Ų567.6 Ų67.63%0.03433%0.327CS..  trans-132.499.8179.2-1710000111.2C53 A65 C66 R67C53-C63 HydrophobicContact CB-CB 3.85Å; C63-A65 PolarHBondContact O-N 3.2Å; C63-C66 HydrophobicContact CB-CB 4.27Å; C63-C66 PolarHBondContact SG-N 3.49Å; C63-C66 VanDerWaalsContact SG-SG 3.62Å; C63-R67 WeakPolarHBondContact O-CB 3.44Å; C63-R67 PolarHBondContact O-N 2.75Å
64P95.8Very high95.9Very high56 Ų5667.6 Ų67.636%0.36433%0.329SS..Hα-helixtrans-60.8-31.6173.9-24.735.4000113F34 P45 L68F34-P64 HydrophobicContact CE2-CB 4.02Å; F34-P64 HydrophobicContact CZ-CB 4.15Å; F34-P64 VanDerWaalsContact CZ-O 3.26Å; F34-P64 WeakPolarHBondContact CZ-O 3.39Å; P45-P64 HydrophobicContact CB-CB 3.77Å; P45-P64 HydrophobicContact CG-CB 4.05Å; P64-L68 WeakPolarHBondContact O-CB 3.43Å; P64-L68 PolarHBondContact O-N 3.14Å
65A96.6Very high95.9Very high15 Ų1562.2 Ų62.212%0.12431%0.312CS..Hα-helixtrans-64.3-58.4179.500000112.4P45 T46 C47 C63 R67 L68 Q69P45-A65 HydrophobicContact CB-CB 4.28Å; P45-A65 HydrophobicContact CG-CB 4.44Å; P45-A65 WeakPolarHBondContact O-CB 3.32Å; T46-A65 VanDerWaalsContact C-CB 3.44Å; C47-A65 HydrophobicContact CB-CB 3.92Å; C47-A65 VanDerWaalsContact N-CB 3.26Å; C63-A65 PolarHBondContact O-N 3.2Å; A65-R67 PolarHBondContact O-N 3.38Å; A65-L68 PolarHBondContact O-N 3.07Å; A65-L68 VanDerWaalsContact O-N 3.08Å; A65-Q69 PolarHBondContact O-N 3.46Å
66C97.1Very high96Very high11 Ų1162 Ų627%0.07431%0.31CS..Hα-helixtrans-62.5-31.7178.2-61.80000112C47 G51 C53 V55 C63 K70C47-C66 VanDerWaalsContact SG-SG 3.65Å; G51-C66 PolarHBondContact O-SG 2.86Å; C53-C66 HydrophobicContact CB-CB 3.88Å; C53-C66 PolarHBondContact N-SG 3.26Å; V55-C66 HydrophobicContact CG2-CB 4.4Å; C63-C66 HydrophobicContact CB-CB 4.27Å; C63-C66 PolarHBondContact SG-N 3.49Å; C63-C66 VanDerWaalsContact SG-SG 3.62Å; C66-K70 WeakPolarHBondContact O-CB 3.48Å; C66-K70 PolarHBondContact O-N 3.44Å
67R97.8Very high95.8Very high16 Ų1665.6 Ų65.66%0.0632%0.32CS..Hα-helixtrans-66.7-42.5173.2-174.3178.8-173.5-178.7-4.3112.8V13 G30 C31 F34 V55 R60 C63 A65 K70 C71V13-R67 HydrophobicContact CG1-CG 4.36Å; G30-R67 PolarHBondContact O-NH2 3.15Å; C31-R67 PolarHBondContact SG-NH2 2.96Å; F34-R67 HydrophobicContact CD1-CG 3.79Å; F34-R67 HydrophobicContact CE1-CB 3.94Å; F34-R67 HydrophobicContact CE1-CG 3.62Å; F34-R67 HydrophobicContact CZ-CB 4.17Å; F34-R67 HydrophobicContact CZ-CG 4.23Å; V55-R67 HydrophobicContact CG1-CB 4.37Å; V55-R67 HydrophobicContact CG1-CG 4.12Å; V55-R67 HydrophobicContact CG2-CB 4.36Å; R60-R67 WeakPolarHBondContact O-CD 3.08Å; R60-R67 PolarHBondContact O-NH1 3.15Å; C63-R67 WeakPolarHBondContact O-CB 3.44Å; C63-R67 PolarHBondContact O-N 2.75Å; A65-R67 PolarHBondContact O-N 3.38Å; R67-K70 PolarHBondContact O-N 3.1Å; R67-C71 PolarHBondContact O-N 2.89Å; R67-C71 PolarHBondContact O-SG 3.47Å; R67-C71 VanDerWaalsContact O-SG 3.35Å
68L97Very high95.6Very high22 Ų2264.8 Ų64.812%0.11532%0.317CS..Hα-helixtrans-65.9-43177.6-179.264.1000110.7F34 F35 T38 V39 P45 P64 A65 K70 C71 L72F34-L68 HydrophobicContact CE1-CB 3.9Å; F34-L68 HydrophobicContact CE1-CD1 4.33Å; F34-L68 HydrophobicContact CZ-CB 4.05Å; F35-L68 HydrophobicContact CD2-CD1 3.95Å; F35-L68 HydrophobicContact CE2-CD1 4.28Å; T38-L68 HydrophobicContact CG2-CD1 4.41Å; T38-L68 HydrophobicContact CG2-CD2 3.92Å; V39-L68 HydrophobicContact CB-CD1 4.07Å; V39-L68 HydrophobicContact CG2-CD1 4.3Å; P45-L68 HydrophobicContact CG-CD2 4.21Å; P64-L68 WeakPolarHBondContact O-CB 3.43Å; P64-L68 PolarHBondContact O-N 3.14Å; A65-L68 PolarHBondContact O-N 3.07Å; A65-L68 VanDerWaalsContact O-N 3.08Å; L68-K70 PolarHBondContact O-N 2.87Å; L68-C71 WeakPolarHBondContact O-CB 3.49Å; L68-C71 PolarHBondContact O-N 2.85Å; L68-C71 VanDerWaalsContact O-N 3.15Å; L68-L72 PolarHBondContact O-N 3.33Å; L68-L72 VanDerWaalsContact O-N 3.09Å
69Q96.3Very high95.2Very high100 Ų10063 Ų6347%0.46731%0.309SS..Hα-helixtrans-57.8-50.1175.6-168.957.150.100110.7A65 C71 L72 D73A65-Q69 PolarHBondContact O-N 3.46Å; Q69-C71 VanDerWaalsContact C-N 3.26Å; Q69-C71 PolarHBondContact O-N 3.12Å; Q69-L72 WeakPolarHBondContact O-CA 3.17Å; Q69-L72 WeakPolarHBondContact O-CB 3.45Å; Q69-L72 PolarHBondContact O-N 2.93Å; Q69-D73 PolarHBondContact NE2-OD1 3.2Å; Q69-D73 PolarHBondContact O-N 3.15Å
70K97.4Very high95Very high73 Ų7364.1 Ų64.132%0.31732%0.315SS..Hα-helixtrans-62.2-29.7177.2-163.8173-178.4-176.20113.9V13 V55 C66 R67 L68 A74V13-K70 HydrophobicContact CG1-CB 4.42Å; V13-K70 HydrophobicContact CG1-CG 4.39Å; V13-K70 WeakPolarHBondContact O-CD 2.9Å; V13-K70 WeakPolarHBondContact O-CE 3.08Å; V13-K70 PolarHBondContact O-NZ 3.35Å; V55-K70 HydrophobicContact CB-CD 3.71Å; V55-K70 HydrophobicContact CG1-CD 4.24Å; V55-K70 HydrophobicContact CG2-CD 4.05Å; V55-K70 PolarHBondContact O-NZ 2.86Å; V55-K70 VanDerWaalsContact O-NZ 3.1Å; C66-K70 WeakPolarHBondContact O-CB 3.48Å; C66-K70 PolarHBondContact O-N 3.44Å; R67-K70 PolarHBondContact O-N 3.1Å; L68-K70 PolarHBondContact O-N 2.87Å; K70-A74 WeakPolarHBondContact O-CB 3.3Å; K70-A74 PolarHBondContact O-N 3.17Å
71C97.6Very high94.6Very high0 Ų063.8 Ų63.80%032%0.315CS..Hα-helixtrans-64-44.1170.2-75.80000111.8F35 R67 L68 Q69 A74 M76F35-C71 HydrophobicContact CD2-CB 3.49Å; F35-C71 VanDerWaalsContact CD2-CB 3.49Å; F35-C71 HydrophobicContact CE2-CB 4.02Å; F35-C71 HydrophobicContact CG-CB 4.37Å; R67-C71 PolarHBondContact O-N 2.89Å; R67-C71 PolarHBondContact O-SG 3.47Å; R67-C71 VanDerWaalsContact O-SG 3.35Å; L68-C71 WeakPolarHBondContact O-CB 3.49Å; L68-C71 PolarHBondContact O-N 2.85Å; L68-C71 VanDerWaalsContact O-N 3.15Å; Q69-C71 VanDerWaalsContact C-N 3.26Å; Q69-C71 PolarHBondContact O-N 3.12Å; C71-A74 PolarHBondContact O-N 3.39Å; C71-M76 HydrophobicContact CB-CB 4.42Å; C71-M76 HydrophobicContact CB-CG 4.32Å; C71-M76 HydrophobicContact CB-SD 3.6Å; C71-M76 VanDerWaalsContact CB-SD 3.6Å; C71-M76 WeakPolarHBondContact O-CB 3.24Å; C71-M76 VanDerWaalsContact O-CG 3.26Å; C71-M76 WeakPolarHBondContact O-CG 3.42Å; C71-M76 PolarHBondContact O-N 3.35Å; C71-M76 VanDerWaalsContact SG-SD 3.63Å
72L96.1Very high94.1Very high71 Ų7158.3 Ų58.337%0.37230%0.301SS..Hα-helixtrans-67.5-44.6178.6-65.7167.5000111.2F35 V39 L68 Q69 A74 G75F35-L72 HydrophobicContact CE2-CD2 3.76Å; F35-L72 HydrophobicContact CE2-CG 4.26Å; F35-L72 HydrophobicContact CZ-CD2 4.13Å; V39-L72 HydrophobicContact CG2-CD2 4.21Å; L68-L72 PolarHBondContact O-N 3.33Å; L68-L72 VanDerWaalsContact O-N 3.09Å; Q69-L72 WeakPolarHBondContact O-CA 3.17Å; Q69-L72 WeakPolarHBondContact O-CB 3.45Å; Q69-L72 PolarHBondContact O-N 2.93Å; L72-A74 PolarHBondContact O-N 2.91Å; L72-G75 WeakPolarHBondContact O-CA 3.36Å; L72-G75 PolarHBondContact O-N 2.98Å
73D96.5Very high93.6Very high114 Ų11455.1 Ų55.161%0.6129%0.294SS*.Hα-helixtrans-62.5-33.5177.9-55.9-23000111.5Q69 G75Q69-D73 PolarHBondContact NE2-OD1 3.2Å; Q69-D73 PolarHBondContact O-N 3.15Å; D73-G75 PolarHBondContact O-N 3.07Å
74A95.8Very high92.8Very high34 Ų3459 Ų5928%0.28133%0.326SS..THydrogen-bonded Turntrans-72.71.1172.300000114.2V12 V13 A25 K70 C71 L72V12-A74 HydrophobicContact CG2-CB 3.62Å; V13-A74 HydrophobicContact CG2-CB 4.1Å; A25-A74 WeakPolarHBondContact CB-O 3.27Å; K70-A74 WeakPolarHBondContact O-CB 3.3Å; K70-A74 PolarHBondContact O-N 3.17Å; C71-A74 PolarHBondContact O-N 3.39Å; L72-A74 PolarHBondContact O-N 2.91Å
75G95.4Very high92.3Very high30 Ų3063.8 Ų63.831%0.30934%0.344SS..THydrogen-bonded Turntrans85.216176.600000114.9L72 D73 R77L72-G75 WeakPolarHBondContact O-CA 3.36Å; L72-G75 PolarHBondContact O-N 2.98Å; D73-G75 PolarHBondContact O-N 3.07Å; G75-R77 WeakPolarHBondContact O-CG 3.29Å; G75-R77 PolarHBondContact O-N 3.05Å
76M97.1Very high91.7Very high5 Ų564.7 Ų64.73%0.02535%0.351CS..  trans-68.1125.8173.4-63.4-174.678.100110.2V13 F23 A25 T27 F35 C71V13-M76 HydrophobicContact CG2-SD 4.38Å; F23-M76 HydrophobicContact CB-CB 4.49Å; F23-M76 HydrophobicContact CB-CE 4.14Å; F23-M76 HydrophobicContact CD2-CE 3.57Å; F23-M76 HydrophobicContact CG-CE 4.33Å; F23-M76 CarbonylContact O-C 3.6Å; F23-M76 VanDerWaalsContact O-CA 3.25Å; F23-M76 WeakPolarHBondContact O-CA 3.44Å; A25-M76 HydrophobicContact CB-CG 3.55Å; T27-M76 HydrophobicContact CG2-CE 4.47Å; T27-M76 HydrophobicContact CG2-SD 4Å; F35-M76 HydrophobicContact CB-CE 3.53Å; F35-M76 HydrophobicContact CB-SD 4.01Å; F35-M76 HydrophobicContact CD1-CB 4.07Å; F35-M76 HydrophobicContact CD1-CE 3.67Å; F35-M76 HydrophobicContact CD1-SD 4.43Å; F35-M76 HydrophobicContact CD2-CB 3.98Å; F35-M76 HydrophobicContact CD2-CE 4.36Å; F35-M76 HydrophobicContact CD2-SD 4.13Å; F35-M76 HydrophobicContact CE1-CB 3.76Å; F35-M76 HydrophobicContact CE1-CE 4.46Å; F35-M76 HydrophobicContact CE2-CB 3.66Å; F35-M76 HydrophobicContact CG-CB 4.16Å; F35-M76 HydrophobicContact CG-CE 3.59Å; F35-M76 HydrophobicContact CG-SD 3.94Å; F35-M76 HydrophobicContact CZ-CB 3.54Å; F35-M76 WeakPolarHBondContact CZ-O 3.3Å; C71-M76 HydrophobicContact CB-CB 4.42Å; C71-M76 HydrophobicContact CB-CG 4.32Å; C71-M76 HydrophobicContact CB-SD 3.6Å; C71-M76 VanDerWaalsContact CB-SD 3.6Å; C71-M76 WeakPolarHBondContact O-CB 3.24Å; C71-M76 VanDerWaalsContact O-CG 3.26Å; C71-M76 WeakPolarHBondContact O-CG 3.42Å; C71-M76 PolarHBondContact O-N 3.35Å; C71-M76 VanDerWaalsContact SG-SD 3.63Å
77R93.3Very high91.1Very high101 Ų10167.6 Ų67.638%0.38137%0.365SS..  trans-107133-175-37.6-165.1-37-133.86.4113.3F23 N24 G75 D79 M80F23-R77 PolarHBondContact O-N 3.41Å; N24-R77 HydrophobicContact CB-CG 4.02Å; G75-R77 WeakPolarHBondContact O-CG 3.29Å; G75-R77 PolarHBondContact O-N 3.05Å; R77-D79 WeakPolarHBondContact CB-OD1 3.19Å; R77-D79 IonicContact CZ-OD1 3.4Å; R77-D79 IonicContact CZ-OD2 2.95Å; R77-D79 IonicContact NE-OD1 3.33Å; R77-D79 PolarHBondContact NE-OD1 3.43Å; R77-D79 IonicContact NE-OD2 2.84Å; R77-D79 PolarHBondContact NE-OD2 3.39Å; R77-D79 IonicContact NH2-OD1 2.71Å; R77-D79 IonicContact NH2-OD2 3.88Å; R77-D79 PolarHBondContact NH2-OD2 2.95Å; R77-M80 HydrophobicContact CB-CG 4.19Å; R77-M80 PolarHBondContact NH2-SD 3.48Å; R77-M80 VanDerWaalsContact NH2-SD 3.36Å; R77-M80 PolarHBondContact O-N 2.94Å
78K90.4Very high90.5Very high107 Ų10769.5 Ų69.547%0.46539%0.385SS..G310 helixtrans-69.6-33.7179.2176177.3-179.2172.50113V39 M80 I81V39-K78 HydrophobicContact CG1-CB 4.15Å; V39-K78 HydrophobicContact CG1-CD 4.4Å; V39-K78 HydrophobicContact CG1-CG 3.99Å; V39-K78 HydrophobicContact CG2-CB 4.02Å; V39-K78 HydrophobicContact CG2-CD 4.22Å; V39-K78 HydrophobicContact CG2-CG 4.35Å; V39-K78 WeakPolarHBondContact O-CE 3.4Å; V39-K78 PolarHBondContact O-NZ 3.19Å; V39-K78 VanDerWaalsContact O-NZ 3.14Å; K78-M80 PolarHBondContact O-N 2.78Å; K78-I81 VanDerWaalsContact O-CB 3.3Å; K78-I81 WeakPolarHBondContact O-CB 3.29Å; K78-I81 PolarHBondContact O-N 2.81Å
79D88.4Confident90.1Very high111 Ų11173.5 Ų73.559%0.59441%0.406SS*.G310 helixtrans-64.4-21.7179.267.2-39.5000113R77 I81R77-D79 WeakPolarHBondContact CB-OD1 3.19Å; R77-D79 IonicContact CZ-OD1 3.4Å; R77-D79 IonicContact CZ-OD2 2.95Å; R77-D79 IonicContact NE-OD1 3.33Å; R77-D79 PolarHBondContact NE-OD1 3.43Å; R77-D79 IonicContact NE-OD2 2.84Å; R77-D79 PolarHBondContact NE-OD2 3.39Å; R77-D79 IonicContact NH2-OD1 2.71Å; R77-D79 IonicContact NH2-OD2 3.88Å; R77-D79 PolarHBondContact NH2-OD2 2.95Å; D79-I81 PolarHBondContact O-N 2.95Å
80M87.3Confident89.6Confident100 Ų10076.7 Ų76.749%0.49341%0.413SS..G310 helixtrans-77-3.7171.7-64.3-69-76.800113.2F23 R77 K78F23-M80 HydrophobicContact CB-CB 4.38Å; F23-M80 HydrophobicContact CD1-CB 4.06Å; R77-M80 HydrophobicContact CB-CG 4.19Å; R77-M80 PolarHBondContact NH2-SD 3.48Å; R77-M80 VanDerWaalsContact NH2-SD 3.36Å; R77-M80 PolarHBondContact O-N 2.94Å; K78-M80 PolarHBondContact O-N 2.78Å
81I86.9Confident89.1Confident29 Ų2981.1 Ų81.115%0.14943%0.428CS..SBendtrans-93.3119.8172.2-59.3164.6000108.4F23 F35 R36 V39 K78 D79 S83F23-I81 HydrophobicContact CD1-CG1 3.63Å; F23-I81 HydrophobicContact CE1-CB 4.36Å; F23-I81 HydrophobicContact CE1-CD1 4.49Å; F23-I81 HydrophobicContact CE1-CG1 3.42Å; F23-I81 VanDerWaalsContact CE1-CG1 3.42Å; F23-I81 HydrophobicContact CG-CG1 4.36Å; F23-I81 HydrophobicContact CZ-CG1 3.98Å; F35-I81 HydrophobicContact CD1-CD1 4Å; F35-I81 HydrophobicContact CE1-CD1 3.91Å; R36-I81 HydrophobicContact CG-CG2 4.32Å; V39-I81 HydrophobicContact CG1-CD1 3.29Å; K78-I81 VanDerWaalsContact O-CB 3.3Å; K78-I81 WeakPolarHBondContact O-CB 3.29Å; K78-I81 PolarHBondContact O-N 2.81Å; D79-I81 PolarHBondContact O-N 2.95Å; I81-S83 PolarHBondContact O-N 3.36Å
82L83.4Confident88.6Confident95 Ų9583.7 Ų83.750%0.49745%0.449SS..PPolyproline II helixtrans-54.8131.8173.3-70.2166.3000110.7A86L82-A86 HydrophobicContact CD2-CB 4.28Å
83S82.3Confident88Confident63 Ų6386.5 Ų86.544%0.44146%0.459SS..PPolyproline II helixtrans-62.8157.6173.469.50000111.2I81 E85 A86 L87I81-S83 PolarHBondContact O-N 3.36Å; S83-E85 PolarHBondContact O-N 2.94Å; S83-A86 PolarHBondContact O-N 3.03Å; S83-A86 VanDerWaalsContact OG-CB 3.3Å; S83-A86 WeakPolarHBondContact OG-CB 3.33Å; S83-A86 PolarHBondContact OG-N 3.2Å; S83-L87 PolarHBondContact O-N 3.31Å
84A81.4Confident87.4Confident86 Ų8686.3 Ų86.371%0.71145%0.454SS*.Hα-helixtrans-57.1-39.2175.600000111.3L87 A88A84-L87 PolarHBondContact O-N 2.88Å; A84-A88 WeakPolarHBondContact O-CB 3.3Å; A84-A88 PolarHBondContact O-N 3.37Å
85E84.4Confident86.6Confident157 Ų15787.4 Ų87.473%0.73446%0.463SS*.Hα-helixtrans-63.4-48.1175.1-67.1166.8-172.600112.2S83 L87 A88 L89S83-E85 PolarHBondContact O-N 2.94Å; E85-L87 VanDerWaalsContact C-N 3.29Å; E85-L87 PolarHBondContact O-N 2.99Å; E85-A88 PolarHBondContact O-N 3.42Å; E85-L89 WeakPolarHBondContact O-CB 3.38Å; E85-L89 PolarHBondContact O-N 3.36Å
86A83.7Confident85.9Confident34 Ų3491.2 Ų91.228%0.28147%0.473SS..Hα-helixtrans-63.2-36.517800000111.9L82 S83 R90L82-A86 HydrophobicContact CD2-CB 4.28Å; S83-A86 PolarHBondContact O-N 3.03Å; S83-A86 VanDerWaalsContact OG-CB 3.3Å; S83-A86 WeakPolarHBondContact OG-CB 3.33Å; S83-A86 PolarHBondContact OG-N 3.2Å; A86-R90 WeakPolarHBondContact O-CB 3.34Å; A86-R90 PolarHBondContact O-N 3.23Å
87L83.7Confident84.9Confident71 Ų71100 Ų10037%0.37251%0.506SS..Hα-helixtrans-69-42.3175.1-170.268.6000111.8S83 A84 E85 R90 R91S83-L87 PolarHBondContact O-N 3.31Å; A84-L87 PolarHBondContact O-N 2.88Å; E85-L87 VanDerWaalsContact C-N 3.29Å; E85-L87 PolarHBondContact O-N 2.99Å; L87-R90 PolarHBondContact O-N 2.8Å; L87-R91 WeakPolarHBondContact O-CG 3.45Å; L87-R91 PolarHBondContact O-N 2.98Å
88A86.2Confident83.7Confident56 Ų56103.1 Ų103.146%0.46352%0.517SS..Hα-helixtrans-62.5-44.5175.200000111.1A84 E85 R90 R91 A92A84-A88 WeakPolarHBondContact O-CB 3.3Å; A84-A88 PolarHBondContact O-N 3.37Å; E85-A88 PolarHBondContact O-N 3.42Å; A88-R90 VanDerWaalsContact C-N 3.35Å; A88-R90 PolarHBondContact O-N 2.96Å; A88-R91 PolarHBondContact O-N 2.87Å; A88-A92 WeakPolarHBondContact O-CB 3.36Å; A88-A92 PolarHBondContact O-N 3.44Å
89L88.3Confident82.5Confident107 Ų107102 Ų10256%0.5653%0.529SS*.Hα-helixtrans-62.3-40.8176-170.370.1000111.8E85 A92 K93E85-L89 WeakPolarHBondContact O-CB 3.38Å; E85-L89 PolarHBondContact O-N 3.36Å; L89-A92 PolarHBondContact O-N 2.82Å; L89-K93 WeakPolarHBondContact O-CB 3.44Å; L89-K93 PolarHBondContact O-N 3.12Å
90R86.6Confident81.4Confident167 Ų167103 Ų10363%0.6353%0.53SS*.Hα-helixtrans-62.3-45174-112-178.2167.7178.6-2.7112A86 L87 A88 Q94A86-R90 WeakPolarHBondContact O-CB 3.34Å; A86-R90 PolarHBondContact O-N 3.23Å; L87-R90 PolarHBondContact O-N 2.8Å; A88-R90 VanDerWaalsContact C-N 3.35Å; A88-R90 PolarHBondContact O-N 2.96Å; R90-Q94 WeakPolarHBondContact O-CB 3.37Å; R90-Q94 PolarHBondContact O-N 3.22Å
91R86.9Confident80.3Confident166 Ų166105.1 Ų105.163%0.62654%0.538SS*.Hα-helixtrans-64.1-42.5176.7-74.5174.9175175-2.3111.5L87 A88 Q94 A95L87-R91 WeakPolarHBondContact O-CG 3.45Å; L87-R91 PolarHBondContact O-N 2.98Å; A88-R91 PolarHBondContact O-N 2.87Å; R91-Q94 PolarHBondContact O-N 3.28Å; R91-A95 WeakPolarHBondContact O-CB 3.39Å; R91-A95 PolarHBondContact O-N 3.43Å
92A86.3Confident79Confident54 Ų54109.3 Ų109.345%0.44657%0.565SS.*Hα-helixtrans-63-47.8176.400000111.6A88 L89 Q94 A95 Q96A88-A92 WeakPolarHBondContact O-CB 3.36Å; A88-A92 PolarHBondContact O-N 3.44Å; L89-A92 PolarHBondContact O-N 2.82Å; A92-Q94 VanDerWaalsContact C-N 3.29Å; A92-Q94 PolarHBondContact O-N 3.34Å; A92-A95 PolarHBondContact O-N 2.83Å; A92-Q96 VanDerWaalsContact O-CB 3.29Å; A92-Q96 WeakPolarHBondContact O-CB 3.29Å; A92-Q96 PolarHBondContact O-N 3.22Å
93K84.8Confident78.1Confident130 Ų130107.9 Ų107.957%0.56556%0.562SS**Hα-helixtrans-58.7-39.1173.5-84.3-173.7173.9-1790112.3L89 R97L89-K93 WeakPolarHBondContact O-CB 3.44Å; L89-K93 PolarHBondContact O-N 3.12Å; K93-R97 WeakPolarHBondContact O-CB 3.43Å; K93-R97 VanDerWaalsContact O-CG 3.32Å; K93-R97 WeakPolarHBondContact O-CG 3.47Å; K93-R97 PolarHBondContact O-N 3.16Å
94Q82Confident77.7Confident110 Ų110108.1 Ų108.151%0.51456%0.557SS.*Hα-helixtrans-70.6-39.4177.7-169.1173.518.700112.2R90 R91 A92 R98R90-Q94 WeakPolarHBondContact O-CB 3.37Å; R90-Q94 PolarHBondContact O-N 3.22Å; R91-Q94 PolarHBondContact O-N 3.28Å; A92-Q94 VanDerWaalsContact C-N 3.29Å; A92-Q94 PolarHBondContact O-N 3.34Å; Q94-R98 WeakPolarHBondContact O-CG 3.32Å; Q94-R98 PolarHBondContact O-N 2.97Å; Q94-R98 VanDerWaalsContact O-N 3.12Å
95A79.4Confident77.7Confident57 Ų57111.8 Ų111.847%0.47156%0.559SS.*Hα-helixtrans-65.9-42174.300000111.4R91 A92 R98 A99R91-A95 WeakPolarHBondContact O-CB 3.39Å; R91-A95 PolarHBondContact O-N 3.43Å; A92-A95 PolarHBondContact O-N 2.83Å; A95-R98 CarbonylContact O-C 3.56Å; A95-R98 WeakPolarHBondContact O-CB 3.45Å; A95-R98 PolarHBondContact O-N 3.39Å; A95-R98 VanDerWaalsContact O-N 3.16Å; A95-A99 WeakPolarHBondContact O-CB 3.36Å; A95-A99 PolarHBondContact O-N 2.8Å
96Q80.4Confident78Confident110 Ų110106.3 Ų106.351%0.51454%0.535SS..Hα-helixtrans-64-42.9176.3-168.3176.812.700111.8A92 R98 A99 Q100A92-Q96 VanDerWaalsContact O-CB 3.29Å; A92-Q96 WeakPolarHBondContact O-CB 3.29Å; A92-Q96 PolarHBondContact O-N 3.22Å; Q96-R98 VanDerWaalsContact C-N 3.27Å; Q96-R98 PolarHBondContact O-N 2.87Å; Q96-A99 PolarHBondContact O-N 2.83Å; Q96-Q100 WeakPolarHBondContact O-CB 3.31Å; Q96-Q100 VanDerWaalsContact O-CG 3.31Å; Q96-Q100 WeakPolarHBondContact O-CG 3.37Å; Q96-Q100 PolarHBondContact O-N 3.2Å
97R76.1Confident78.5Confident190 Ų190106.9 Ų106.972%0.71754%0.536SS*.Hα-helixtrans-59.9-34.9172.1-78.1179.6179-157.8-1.6113K93 Q101K93-R97 WeakPolarHBondContact O-CB 3.43Å; K93-R97 VanDerWaalsContact O-CG 3.32Å; K93-R97 WeakPolarHBondContact O-CG 3.47Å; K93-R97 PolarHBondContact O-N 3.16Å; R97-Q101 PolarHBondContact O-N 3.35Å
98R68.5Low79Confident165 Ų165109.4 Ų109.462%0.62355%0.55SS**Hα-helixtrans-74.4-36.9175.1-72.4175.7-179-166.41.2112.2Q94 A95 Q96 Q100 Q101Q94-R98 WeakPolarHBondContact O-CG 3.32Å; Q94-R98 PolarHBondContact O-N 2.97Å; Q94-R98 VanDerWaalsContact O-N 3.12Å; A95-R98 CarbonylContact O-C 3.56Å; A95-R98 WeakPolarHBondContact O-CB 3.45Å; A95-R98 PolarHBondContact O-N 3.39Å; A95-R98 VanDerWaalsContact O-N 3.16Å; Q96-R98 VanDerWaalsContact C-N 3.27Å; Q96-R98 PolarHBondContact O-N 2.87Å; R98-Q100 VanDerWaalsContact C-N 3.34Å; R98-Q101 PolarHBondContact O-N 3.48Å
99A66.4Low79.5Confident85 Ų85112.4 Ų112.470%0.70256%0.555SS**Hα-helixtrans-72.8-27.7177.700000112.7A95 Q96 Q101A95-A99 WeakPolarHBondContact O-CB 3.36Å; A95-A99 PolarHBondContact O-N 2.8Å; Q96-A99 PolarHBondContact O-N 2.83Å; A99-Q101 VanDerWaalsContact C-N 3.34Å
100Q64.4Low79.9Confident131 Ų131108.7 Ų108.761%0.61254%0.535SS*.THydrogen-bonded Turntrans-83.3-7.8174-72.5173-8.700113.3Q96 R98 T102Q96-Q100 WeakPolarHBondContact O-CB 3.31Å; Q96-Q100 VanDerWaalsContact O-CG 3.31Å; Q96-Q100 WeakPolarHBondContact O-CG 3.37Å; Q96-Q100 PolarHBondContact O-N 3.2Å; R98-Q100 VanDerWaalsContact C-N 3.34Å; Q100-T102 PolarHBondContact O-N 3.27Å
101Q63.7Low80.3Confident145 Ų145105.4 Ų105.468%0.67853%0.526SS*.SBendtrans-7498.7168.7-83175.5-18.300108R97 R98 A99R97-Q101 PolarHBondContact O-N 3.35Å; R98-Q101 PolarHBondContact O-N 3.48Å; A99-Q101 VanDerWaalsContact C-N 3.34Å
102T60.1Low80.8Confident117 Ų117103.9 Ų103.972%0.71853%0.527SS*.  trans-52.4135.9165.7-37.90000108.2Q100 M104Q100-T102 PolarHBondContact O-N 3.27Å; T102-M104 PolarHBondContact O-N 2.92Å; T102-M104 VanDerWaalsContact O-N 3.14Å
103P64.9Low81.4Confident65 Ų65102.4 Ų102.442%0.42251%0.511SS..  trans-49.9126.7168.8-23.632.3000108.6Q105 Q309P103-Q105 PolarHBondContact O-N 3.11Å; P103-Q309 VanDerWaalsContact CB-NE2 3.29Å; P103-Q309 VanDerWaalsContact CG-NE2 3.35Å
104M74.2Confident82Confident67 Ų6796.5 Ų96.533%0.3349%0.486SS..  trans-65.2108.3179-170.2160.5168.500107.6T102 S303 K306 G307T102-M104 PolarHBondContact O-N 2.92Å; T102-M104 VanDerWaalsContact O-N 3.14Å; M104-S303 WeakPolarHBondContact CE-OG 3.42Å; M104-K306 HydrophobicContact CB-CB 4.12Å; M104-K306 HydrophobicContact CE-CD 4.02Å; M104-K306 HydrophobicContact CG-CB 4.28Å; M104-K306 HydrophobicContact SD-CB 3.54Å; M104-K306 VanDerWaalsContact SD-CB 3.54Å; M104-K306 HydrophobicContact SD-CD 3.24Å; M104-K306 WeakPolarHBondContact SD-CD 3.36Å; M104-K306 HydrophobicContact SD-CG 4.05Å; M104-G307 WeakPolarHBondContact O-CA 3.37Å
105Q81.9Confident82.8Confident164 Ų16497.3 Ų97.377%0.76649%0.489SS*.PPolyproline II helixtrans-93.4144.6175.8-70.7-177.2-17.800108.8P103P103-Q105 PolarHBondContact O-N 3.11Å
106L90.4Very high83.7Confident41 Ų4197 Ų9722%0.21548%0.482CS..PPolyproline II helixtrans-67.5145.8171.7-66.9163.9000108.7Q110 E111 I114 Y304L106-Q110 HydrophobicContact CB-CB 4.24Å; L106-Q110 HydrophobicContact CD2-CB 4.03Å; L106-E111 HydrophobicContact CB-CG 3.69Å; L106-E111 HydrophobicContact CD1-CG 4.1Å; L106-I114 HydrophobicContact CD1-CD1 4.03Å; L106-I114 HydrophobicContact CD2-CD1 4.34Å; L106-Y304 HydrophobicContact CD1-CD2 3.94Å
107S93.7Very high84.6Confident46 Ų4691.9 Ų91.932%0.32246%0.458SS..PPolyproline II helixtrans-74.5161.7166.484.40000110.1E109 Q110 E111S107-E109 WeakPolarHBondContact CB-OE2 3.21Å; S107-E109 PolarHBondContact O-N 3.41Å; S107-E109 PolarHBondContact OG-N 3.08Å; S107-E109 PolarHBondContact OG-OE2 2.96Å; S107-Q110 WeakPolarHBondContact O-CB 3.48Å; S107-Q110 PolarHBondContact O-N 3.44Å; S107-Q110 VanDerWaalsContact O-N 3.1Å; S107-Q110 WeakPolarHBondContact OG-CG 3.47Å; S107-Q110 PolarHBondContact OG-N 3.3Å; S107-E111 PolarHBondContact O-N 3.15Å
108N95Very high85.7Confident124 Ų12484 Ų8466%0.66343%0.43SS*.Hα-helixtrans-58-37.7177.8-67.1-17.7000111.4E111 E112N108-E111 PolarHBondContact O-N 2.97Å; N108-E112 WeakPolarHBondContact O-CB 3.32Å; N108-E112 PolarHBondContact O-N 3.06Å
109E95.4Very high87.1Confident119 Ų11977.1 Ų77.156%0.55641%0.41SS*.Hα-helixtrans-65-42177.4-55.676.3-163.800111.2S107 E111 E112 L113S107-E109 WeakPolarHBondContact CB-OE2 3.21Å; S107-E109 PolarHBondContact O-N 3.41Å; S107-E109 PolarHBondContact OG-N 3.08Å; S107-E109 PolarHBondContact OG-OE2 2.96Å; E109-E111 VanDerWaalsContact C-N 3.34Å; E109-E111 PolarHBondContact O-N 2.83Å; E109-E112 PolarHBondContact O-N 3.36Å; E109-L113 WeakPolarHBondContact O-CB 3.02Å; E109-L113 PolarHBondContact O-N 3.15Å
110Q96.2Very high88.6Confident29 Ų2973.1 Ų73.114%0.13638%0.377CS..Hα-helixtrans-64.3-39.1176.1-68.1-171.1-46.700111.9L106 S107 I114 T300 S303L106-Q110 HydrophobicContact CB-CB 4.24Å; L106-Q110 HydrophobicContact CD2-CB 4.03Å; S107-Q110 WeakPolarHBondContact O-CB 3.48Å; S107-Q110 PolarHBondContact O-N 3.44Å; S107-Q110 VanDerWaalsContact O-N 3.1Å; S107-Q110 WeakPolarHBondContact OG-CG 3.47Å; S107-Q110 PolarHBondContact OG-N 3.3Å; Q110-I114 VanDerWaalsContact O-CG1 3.26Å; Q110-I114 WeakPolarHBondContact O-CG1 3.32Å; Q110-I114 PolarHBondContact O-N 3.29Å; Q110-I114 VanDerWaalsContact O-N 3.07Å; Q110-T300 HydrophobicContact CB-CG2 3.98Å; Q110-T300 HydrophobicContact CG-CG2 4.27Å; Q110-T300 PolarHBondContact NE2-OG1 3.46Å; Q110-S303 PolarHBondContact NE2-OG 3.29Å; Q110-S303 PolarHBondContact OE1-OG 2.94Å
111E96.4Very high90.2Very high98 Ų9867.5 Ų67.546%0.45835%0.351SS..Hα-helixtrans-65.6-46.8175.6-68.9-175173.400111.6L106 S107 N108 E109 L113 I114 Q115L106-E111 HydrophobicContact CB-CG 3.69Å; L106-E111 HydrophobicContact CD1-CG 4.1Å; S107-E111 PolarHBondContact O-N 3.15Å; N108-E111 PolarHBondContact O-N 2.97Å; E109-E111 VanDerWaalsContact C-N 3.34Å; E109-E111 PolarHBondContact O-N 2.83Å; E111-L113 VanDerWaalsContact C-N 3.33Å; E111-L113 PolarHBondContact O-N 3.48Å; E111-I114 PolarHBondContact O-N 3.3Å; E111-Q115 WeakPolarHBondContact O-CG 3.35Å; E111-Q115 PolarHBondContact O-N 3.01Å
112E97.6Very high91.8Very high135 Ų13564.7 Ų64.763%0.63134%0.343SS*.Hα-helixtrans-60.9-41.6177.3-175.7176-175.500112.1N108 E109 Q115 T116N108-E112 WeakPolarHBondContact O-CB 3.32Å; N108-E112 PolarHBondContact O-N 3.06Å; E109-E112 PolarHBondContact O-N 3.36Å; E112-Q115 PolarHBondContact O-N 2.96Å; E112-T116 WeakPolarHBondContact O-CB 3.17Å; E112-T116 PolarHBondContact O-N 3.3Å; E112-T116 PolarHBondContact O-OG1 3.14Å
113L97.8Very high93.6Very high22 Ų2266.2 Ų66.212%0.11534%0.336CS..Hα-helixtrans-59-48.7174.517359.5000111.5E109 E111 Q115 T116 L117 E296 M297 T300E109-L113 WeakPolarHBondContact O-CB 3.02Å; E109-L113 PolarHBondContact O-N 3.15Å; E111-L113 VanDerWaalsContact C-N 3.33Å; E111-L113 PolarHBondContact O-N 3.48Å; L113-Q115 VanDerWaalsContact C-N 3.33Å; L113-Q115 PolarHBondContact O-N 2.89Å; L113-T116 PolarHBondContact O-N 3.47Å; L113-L117 HydrophobicContact CD1-CD1 4.13Å; L113-L117 HydrophobicContact CD1-CG 4.24Å; L113-L117 HydrophobicContact CG-CD1 4.24Å; L113-L117 WeakPolarHBondContact O-CG 3.44Å; L113-L117 PolarHBondContact O-N 3.26Å; L113-E296 HydrophobicContact CD2-CG 4.16Å; L113-M297 HydrophobicContact CD1-CE 3.56Å; L113-M297 HydrophobicContact CD1-SD 3.9Å; L113-M297 HydrophobicContact CD2-CE 4.07Å; L113-M297 HydrophobicContact CD2-SD 3.83Å; L113-M297 HydrophobicContact CG-CE 4.38Å; L113-M297 HydrophobicContact CG-SD 4.21Å; L113-T300 HydrophobicContact CD2-CG2 4.3Å
114I98.2Very high95.2Very high7 Ų765.1 Ų65.14%0.03633%0.325CS..Hα-helixtrans-59.8-45.1177.1-71.2167.7000110.6L106 Q110 E111 T116 L117 L118 P261 L265 T300 Y304L106-I114 HydrophobicContact CD1-CD1 4.03Å; L106-I114 HydrophobicContact CD2-CD1 4.34Å; Q110-I114 VanDerWaalsContact O-CG1 3.26Å; Q110-I114 WeakPolarHBondContact O-CG1 3.32Å; Q110-I114 PolarHBondContact O-N 3.29Å; Q110-I114 VanDerWaalsContact O-N 3.07Å; E111-I114 PolarHBondContact O-N 3.3Å; I114-T116 VanDerWaalsContact C-N 3.34Å; I114-T116 PolarHBondContact O-N 3.31Å; I114-L117 PolarHBondContact O-N 3.44Å; I114-L118 HydrophobicContact CG2-CD1 3.63Å; I114-L118 HydrophobicContact CG2-CG 4.13Å; I114-L118 WeakPolarHBondContact O-CB 3.39Å; I114-L118 VanDerWaalsContact O-CG 3.26Å; I114-L118 WeakPolarHBondContact O-CG 3.45Å; I114-L118 PolarHBondContact O-N 2.99Å; I114-P261 HydrophobicContact CG2-CB 4.04Å; I114-P261 HydrophobicContact CG2-CG 4.38Å; I114-L265 HydrophobicContact CD1-CD1 4.28Å; I114-L265 HydrophobicContact CG1-CD1 4.08Å; I114-L265 HydrophobicContact CG1-CD2 4.39Å; I114-L265 HydrophobicContact CG1-CG 4.49Å; I114-T300 HydrophobicContact CD1-CG2 3.78Å; I114-T300 HydrophobicContact CG1-CG2 3.79Å; I114-Y304 HydrophobicContact CD1-CD2 3.76Å; I114-Y304 HydrophobicContact CD1-CE2 4.49Å; I114-Y304 HydrophobicContact CD1-CG 4.47Å
115Q98.3Very high96.2Very high126 Ų12662 Ų6259%0.58931%0.31SS*.Hα-helixtrans-62.4-40.6178.3-67.9-53.2-37.600112.3E111 E112 L113 L118 G119E111-Q115 WeakPolarHBondContact O-CG 3.35Å; E111-Q115 PolarHBondContact O-N 3.01Å; E112-Q115 PolarHBondContact O-N 2.96Å; L113-Q115 VanDerWaalsContact C-N 3.33Å; L113-Q115 PolarHBondContact O-N 2.89Å; Q115-L118 PolarHBondContact O-N 3.04Å; Q115-G119 PolarHBondContact O-N 3.15Å
116T98.6Very high96.7Very high51 Ų5156.1 Ų56.131%0.31329%0.293SS..Hα-helixtrans-60.1-49175.6-59.80000111E112 L113 I114 G119 A120 L179E112-T116 WeakPolarHBondContact O-CB 3.17Å; E112-T116 PolarHBondContact O-N 3.3Å; E112-T116 PolarHBondContact O-OG1 3.14Å; L113-T116 PolarHBondContact O-N 3.47Å; I114-T116 VanDerWaalsContact C-N 3.34Å; I114-T116 PolarHBondContact O-N 3.31Å; T116-G119 PolarHBondContact O-N 3.39Å; T116-A120 PolarHBondContact O-N 3.09Å; T116-A120 VanDerWaalsContact O-N 3.09Å; T116-L179 HydrophobicContact CG2-CD2 4.41Å
117L98.6Very high96.8Very high3 Ų357.7 Ų57.72%0.01631%0.305CS..Hα-helixtrans-63-46178.7-68.9172000112.3L113 I114 G119 A120 H121 F175 L179 V264 L265 A268 M297L113-L117 HydrophobicContact CD1-CD1 4.13Å; L113-L117 HydrophobicContact CD1-CG 4.24Å; L113-L117 HydrophobicContact CG-CD1 4.24Å; L113-L117 WeakPolarHBondContact O-CG 3.44Å; L113-L117 PolarHBondContact O-N 3.26Å; I114-L117 PolarHBondContact O-N 3.44Å; L117-G119 PolarHBondContact O-N 3.38Å; L117-A120 PolarHBondContact O-N 3.47Å; L117-H121 VanDerWaalsContact O-CB 3.29Å; L117-H121 WeakPolarHBondContact O-CB 3.47Å; L117-H121 PolarHBondContact O-N 3.42Å; L117-F175 HydrophobicContact CD2-CZ 4.29Å; L117-L179 HydrophobicContact CD2-CD1 3.94Å; L117-L179 HydrophobicContact CD2-CD2 3.88Å; L117-V264 HydrophobicContact CB-CB 4.14Å; L117-V264 HydrophobicContact CB-CG2 3.85Å; L117-L265 HydrophobicContact CD1-CD2 3.65Å; L117-L265 HydrophobicContact CD1-CG 4.29Å; L117-A268 HydrophobicContact CD1-CB 4.1Å; L117-A268 HydrophobicContact CD2-CB 3.89Å; L117-M297 HydrophobicContact CD1-SD 3.87Å
118L98.5Very high96.8Very high25 Ų2555.7 Ų55.713%0.13129%0.29CS..Hα-helixtrans-62.3-42.3177.5-74172.6000111.9I114 Q115 H121 T122 E260 P261 V264I114-L118 HydrophobicContact CG2-CD1 3.63Å; I114-L118 HydrophobicContact CG2-CG 4.13Å; I114-L118 WeakPolarHBondContact O-CB 3.39Å; I114-L118 VanDerWaalsContact O-CG 3.26Å; I114-L118 WeakPolarHBondContact O-CG 3.45Å; I114-L118 PolarHBondContact O-N 2.99Å; Q115-L118 PolarHBondContact O-N 3.04Å; L118-H121 PolarHBondContact O-N 2.83Å; L118-T122 WeakPolarHBondContact O-CB 3.5Å; L118-T122 PolarHBondContact O-N 3.31Å; L118-T122 PolarHBondContact O-OG1 3.38Å; L118-E260 HydrophobicContact CD2-CB 4.05Å; L118-E260 HydrophobicContact CD2-CG 3.67Å; L118-P261 HydrophobicContact CD1-CG 4.16Å; L118-P261 HydrophobicContact CD2-CG 4.25Å; L118-V264 HydrophobicContact CD2-CG1 4.16Å; L118-V264 HydrophobicContact CD2-CG2 3.96Å; L118-V264 HydrophobicContact CG-CG2 4.24Å
119G98.4Very high96.9Very high20 Ų2050.4 Ų50.421%0.20626%0.262CS..Hα-helixtrans-61-47.417800000112Q115 T116 L117 R123Q115-G119 PolarHBondContact O-N 3.15Å; T116-G119 PolarHBondContact O-N 3.39Å; L117-G119 PolarHBondContact O-N 3.38Å; G119-R123 VanDerWaalsContact C-CZ 3.47Å; G119-R123 WeakPolarHBondContact O-CG 3.39Å; G119-R123 VanDerWaalsContact O-CZ 3.28Å; G119-R123 PolarHBondContact O-N 3.1Å; G119-R123 PolarHBondContact O-NH1 3.34Å
120A98.5Very high96.8Very high0 Ų050.9 Ų50.90%026%0.264CS..Hα-helixtrans-64.1-44.7175.500000111.7T116 L117 T122 R123 H124 F175 D178 L179T116-A120 PolarHBondContact O-N 3.09Å; T116-A120 VanDerWaalsContact O-N 3.09Å; L117-A120 PolarHBondContact O-N 3.47Å; A120-T122 PolarHBondContact O-N 3.32Å; A120-R123 PolarHBondContact O-N 3.02Å; A120-H124 PolarHBondContact O-CD2 3.2Å; A120-H124 PolarHBondContact O-N 3.39Å; A120-F175 HydrophobicContact CB-CD2 3.71Å; A120-F175 HydrophobicContact CB-CE2 3.93Å; A120-D178 HydrophobicContact CB-CB 4.07Å; A120-L179 HydrophobicContact CB-CD2 3.69Å
121H98.1Very high96.9Very high14 Ų1451.8 Ų51.87%0.06527%0.268CS..Hα-helixtrans-57.1-49.5176.4173.6-94.3000111.4L117 L118 R123 H124 M125 G126 F175 E260 V264L117-H121 VanDerWaalsContact O-CB 3.29Å; L117-H121 WeakPolarHBondContact O-CB 3.47Å; L117-H121 PolarHBondContact O-N 3.42Å; L118-H121 PolarHBondContact O-N 2.83Å; H121-R123 VanDerWaalsContact C-N 3.32Å; H121-R123 PolarHBondContact O-N 3.13Å; H121-H124 PolarHBondContact O-N 3.28Å; H121-M125 HydrophobicContact CB-CE 4.49Å; H121-M125 CarbonylContact O-C 3.52Å; H121-M125 WeakPolarHBondContact O-CA 3.48Å; H121-M125 PolarHBondContact O-N 2.98Å; H121-G126 PolarHBondContact O-N 3.48Å; H121-F175 HydrophobicContact CB-CD2 4.45Å; H121-F175 HydrophobicContact CB-CE2 4.23Å; H121-E260 IonicContact CE1-OE1 3.43Å; H121-E260 PolarHBondContact CE1-OE1 2.92Å; H121-E260 IonicContact ND1-OE1 3.41Å; H121-E260 PolarHBondContact ND1-OE1 3.01Å; H121-V264 HydrophobicContact CB-CG1 3.52Å
122T97.7Very high96.9Very high85 Ų8547.4 Ų47.452%0.52125%0.247SC..Hα-helixtrans-59.3-42.3-179.1-60.10000111.9L118 A120L118-T122 WeakPolarHBondContact O-CB 3.5Å; L118-T122 PolarHBondContact O-N 3.31Å; L118-T122 PolarHBondContact O-OG1 3.38Å; A120-T122 PolarHBondContact O-N 3.32Å
123R97.7Very high96.8Very high149 Ų14943.5 Ų43.556%0.56223%0.232SC*.Hα-helixtrans-68.3-38-177.9-75.9-174.3-68.1-90.26.4113.6G119 A120 H121 D178G119-R123 VanDerWaalsContact C-CZ 3.47Å; G119-R123 WeakPolarHBondContact O-CG 3.39Å; G119-R123 VanDerWaalsContact O-CZ 3.28Å; G119-R123 PolarHBondContact O-N 3.1Å; G119-R123 PolarHBondContact O-NH1 3.34Å; A120-R123 PolarHBondContact O-N 3.02Å; H121-R123 VanDerWaalsContact C-N 3.32Å; H121-R123 PolarHBondContact O-N 3.13Å; R123-D178 IonicContact CZ-OD2 3.18Å; R123-D178 IonicContact NE-OD2 2.8Å; R123-D178 PolarHBondContact NE-OD2 3.14Å; R123-D178 IonicContact NH2-OD1 3.68Å; R123-D178 IonicContact NH2-OD2 2.71Å; R123-D178 PolarHBondContact NH2-OD2 3.2Å
124H97.7Very high96.7Very high42 Ų4251.1 Ų51.119%0.19426%0.26CS..Hα-helixtrans-111.5-33.5-168.5-56-62.5000113.7A120 H121 Q171 K174 F175 D178A120-H124 PolarHBondContact O-CD2 3.2Å; A120-H124 PolarHBondContact O-N 3.39Å; H121-H124 PolarHBondContact O-N 3.28Å; H124-Q171 WeakPolarHBondContact O-CB 3.17Å; H124-Q171 WeakPolarHBondContact O-CG 3.48Å; H124-Q171 PolarHBondContact O-OE1 3.11Å; H124-K174 HydrophobicContact CB-CB 4.12Å; H124-F175 HydrophobicContact CB-CB 4.27Å; H124-D178 IonicContact CD2-OD2 2.78Å; H124-D178 IonicContact NE2-OD2 2.96Å; H124-D178 PolarHBondContact NE2-OD2 3.01Å
125M96.1Very high96.6Very high2 Ų253 Ų531%0.0127%0.268CS..THydrogen-bonded Turntrans-116.5-24.1-171.7-59.5-167.9-62.700113.9H121 T127 M128 Q171 V172 F175 I201 V205H121-M125 HydrophobicContact CB-CE 4.49Å; H121-M125 CarbonylContact O-C 3.52Å; H121-M125 WeakPolarHBondContact O-CA 3.48Å; H121-M125 PolarHBondContact O-N 2.98Å; M125-T127 VanDerWaalsContact C-N 3.3Å; M125-T127 PolarHBondContact O-N 3.47Å; M125-T127 VanDerWaalsContact O-N 3.13Å; M125-M128 HydrophobicContact CB-SD 3.74Å; M125-M128 HydrophobicContact CG-SD 3.96Å; M125-M128 WeakPolarHBondContact O-CG 3.42Å; M125-M128 PolarHBondContact O-N 2.87Å; M125-Q171 HydrophobicContact CG-CB 4.25Å; M125-V172 HydrophobicContact SD-CG2 3.98Å; M125-F175 HydrophobicContact CE-CB 3.82Å; M125-F175 HydrophobicContact CE-CD1 3.67Å; M125-F175 HydrophobicContact CE-CD2 3.45Å; M125-F175 VanDerWaalsContact CE-CD2 3.45Å; M125-F175 HydrophobicContact CE-CE1 4.06Å; M125-F175 HydrophobicContact CE-CE2 3.86Å; M125-F175 HydrophobicContact CE-CG 3.34Å; M125-F175 HydrophobicContact CE-CZ 4.14Å; M125-F175 HydrophobicContact CG-CB 4.19Å; M125-F175 HydrophobicContact SD-CB 3.95Å; M125-F175 HydrophobicContact SD-CD1 4.41Å; M125-F175 HydrophobicContact SD-CG 4.1Å; M125-I201 HydrophobicContact CE-CG2 4.46Å; M125-I201 HydrophobicContact SD-CG2 4.26Å; M125-V205 HydrophobicContact CB-CG1 4.38Å; M125-V205 HydrophobicContact CE-CG2 4.15Å; M125-V205 HydrophobicContact SD-CG2 4.21Å
126G91.3Very high96.4Very high41 Ų4157.8 Ų57.842%0.42328%0.28SS..THydrogen-bonded Turntrans-55.3-37.1-171.900000115.4H121H121-G126 PolarHBondContact O-N 3.48Å
127T92.1Very high96Very high74 Ų7456.1 Ų56.145%0.45427%0.271SS..THydrogen-bonded Turntrans-11713.2-179.7610000113.4M125 F129 E130M125-T127 VanDerWaalsContact C-N 3.3Å; M125-T127 PolarHBondContact O-N 3.47Å; M125-T127 VanDerWaalsContact O-N 3.13Å; T127-F129 VanDerWaalsContact C-N 3.29Å; T127-F129 PolarHBondContact O-N 3.43Å; T127-E130 PolarHBondContact O-N 3.04Å
128M95.5Very high95.7Very high3 Ų356.9 Ų56.92%0.01528%0.276CS..G310 helixtrans-61.6-36-171.670.7-171.4-88.600112.8M125 E130 Q131 F167 M168 Q171 V205M125-M128 HydrophobicContact CB-SD 3.74Å; M125-M128 HydrophobicContact CG-SD 3.96Å; M125-M128 WeakPolarHBondContact O-CG 3.42Å; M125-M128 PolarHBondContact O-N 2.87Å; M128-E130 VanDerWaalsContact C-N 3.31Å; M128-E130 PolarHBondContact O-N 2.85Å; M128-Q131 WeakPolarHBondContact O-CB 3.5Å; M128-Q131 PolarHBondContact O-N 3.36Å; M128-Q131 VanDerWaalsContact O-N 3.1Å; M128-F167 HydrophobicContact CB-CE1 3.91Å; M128-F167 HydrophobicContact CB-CZ 4.36Å; M128-F167 WeakPolarHBondContact O-CE1 3.37Å; M128-M168 VanDerWaalsContact CE-CA 3.42Å; M128-M168 HydrophobicContact CE-CB 3.51Å; M128-M168 HydrophobicContact CE-CG 3.39Å; M128-M168 HydrophobicContact CE-SD 4.21Å; M128-Q171 HydrophobicContact CB-CG 4.14Å; M128-Q171 HydrophobicContact CE-CB 4.21Å; M128-Q171 HydrophobicContact CE-CG 4.41Å; M128-Q171 HydrophobicContact SD-CB 4.22Å; M128-V205 HydrophobicContact SD-CG1 4.43Å
129F96.8Very high95.2Very high14 Ų1458.6 Ų58.66%0.06129%0.293CS..G310 helixtrans-69.5-26.5-177.7-58.4-60.2000113.5T127 Q131 F132 M168 V205 L206 T209 C219T127-F129 VanDerWaalsContact C-N 3.29Å; T127-F129 PolarHBondContact O-N 3.43Å; F129-Q131 PolarHBondContact O-N 3.06Å; F129-F132 HydrophobicContact CD1-CE1 4.01Å; F129-F132 AromaticContact CD1-CE2 3.95Å; F129-F132 HydrophobicContact CD1-CE2 3.95Å; F129-F132 AromaticContact CD1-CZ 3.57Å; F129-F132 HydrophobicContact CD1-CZ 3.57Å; F129-F132 HydrophobicContact CE1-CZ 4.03Å; F129-F132 WeakPolarHBondContact O-CB 3.49Å; F129-F132 PolarHBondContact O-N 2.87Å; F129-M168 HydrophobicContact CE1-SD 4.01Å; F129-V205 HydrophobicContact CE2-CG1 3.76Å; F129-V205 HydrophobicContact CZ-CB 4.38Å; F129-V205 HydrophobicContact CZ-CG1 3.82Å; F129-L206 HydrophobicContact CD1-CD1 4.03Å; F129-L206 HydrophobicContact CE1-CB 4.23Å; F129-L206 HydrophobicContact CE1-CD1 3.59Å; F129-L206 VanDerWaalsContact CZ-CA 3.43Å; F129-L206 HydrophobicContact CZ-CB 4.12Å; F129-L206 HydrophobicContact CZ-CD1 4.17Å; F129-T209 HydrophobicContact CB-CG2 4.08Å; F129-T209 HydrophobicContact CD1-CG2 4.33Å; F129-T209 HydrophobicContact CD2-CG2 3.44Å; F129-T209 VanDerWaalsContact CD2-CG2 3.44Å; F129-T209 HydrophobicContact CE2-CG2 3.92Å; F129-T209 HydrophobicContact CG-CG2 3.68Å; F129-C219 HydrophobicContact CB-CB 3.93Å
130E93.8Very high94.7Very high128 Ų12859.2 Ų59.260%0.59829%0.291SS*.G310 helixtrans-67-24.8173.9-61.3179.2179.300111.6T127 M128 F132 V133T127-E130 PolarHBondContact O-N 3.04Å; M128-E130 VanDerWaalsContact C-N 3.31Å; M128-E130 PolarHBondContact O-N 2.85Å; E130-F132 VanDerWaalsContact C-N 3.26Å; E130-F132 PolarHBondContact O-N 3.44Å; E130-V133 WeakPolarHBondContact O-CG2 3.42Å
131Q96.5Very high94.4Very high48 Ų4859.2 Ų59.222%0.22429%0.291CS..G310 helixtrans-80.3-6.9-179.4-55.3-175.541.100112.7M128 F129 V133 R134 F135 F167M128-Q131 WeakPolarHBondContact O-CB 3.5Å; M128-Q131 PolarHBondContact O-N 3.36Å; M128-Q131 VanDerWaalsContact O-N 3.1Å; F129-Q131 PolarHBondContact O-N 3.06Å; Q131-V133 PolarHBondContact O-N 3.26Å; Q131-V133 VanDerWaalsContact O-N 3.11Å; Q131-R134 VanDerWaalsContact O-CB 3.29Å; Q131-R134 WeakPolarHBondContact O-CB 3.5Å; Q131-R134 WeakPolarHBondContact O-CG 3.43Å; Q131-R134 PolarHBondContact O-N 3.25Å; Q131-F135 WeakPolarHBondContact O-CD2 3.24Å; Q131-F135 WeakPolarHBondContact O-CE2 3.31Å; Q131-F167 HydrophobicContact CB-CE1 4.2Å; Q131-F167 HydrophobicContact CB-CZ 4.01Å; Q131-F167 HydrophobicContact CG-CZ 4.45Å
132F97.1Very high94.1Very high6 Ų661.4 Ų61.43%0.02630%0.3CS..G310 helixtrans-58.6-28.1-179.8-78.715.8000112.6F129 E130 R134 F135 V164 F167 M168 C219 L222 Y224F129-F132 HydrophobicContact CD1-CE1 4.01Å; F129-F132 AromaticContact CD1-CE2 3.95Å; F129-F132 HydrophobicContact CD1-CE2 3.95Å; F129-F132 AromaticContact CD1-CZ 3.57Å; F129-F132 HydrophobicContact CD1-CZ 3.57Å; F129-F132 HydrophobicContact CE1-CZ 4.03Å; F129-F132 WeakPolarHBondContact O-CB 3.49Å; F129-F132 PolarHBondContact O-N 2.87Å; E130-F132 VanDerWaalsContact C-N 3.26Å; E130-F132 PolarHBondContact O-N 3.44Å; F132-R134 PolarHBondContact O-N 2.86Å; F132-R134 VanDerWaalsContact O-N 3.11Å; F132-F135 PolarHBondContact O-N 3.17Å; F132-F135 VanDerWaalsContact O-N 3.11Å; F132-V164 HydrophobicContact CB-CG1 4.16Å; F132-V164 HydrophobicContact CD1-CB 4.15Å; F132-V164 HydrophobicContact CD1-CG1 4.01Å; F132-V164 HydrophobicContact CD2-CB 4.21Å; F132-V164 HydrophobicContact CD2-CG1 4.06Å; F132-V164 HydrophobicContact CE1-CB 4.01Å; F132-V164 HydrophobicContact CE1-CG1 4.39Å; F132-V164 HydrophobicContact CE2-CB 4.07Å; F132-V164 HydrophobicContact CE2-CG1 4.43Å; F132-V164 HydrophobicContact CE2-CG2 4.27Å; F132-V164 HydrophobicContact CG-CB 4.24Å; F132-V164 HydrophobicContact CG-CG1 3.82Å; F132-V164 HydrophobicContact CZ-CB 3.97Å; F132-V164 HydrophobicContact CZ-CG2 4.46Å; F132-F167 HydrophobicContact CD1-CD1 4.39Å; F132-F167 HydrophobicContact CE1-CD1 4.07Å; F132-F167 HydrophobicContact CE1-CE1 4.38Å; F132-M168 HydrophobicContact CE1-CG 3.95Å; F132-M168 HydrophobicContact CZ-CG 3.65Å; F132-M168 HydrophobicContact CZ-SD 3.74Å; F132-C219 HydrophobicContact CD2-CB 3.75Å; F132-C219 HydrophobicContact CE2-CB 4.28Å; F132-C219 HydrophobicContact CG-CB 4.39Å; F132-L222 HydrophobicContact CB-CD1 3.72Å; F132-Y224 HydrophobicContact CD2-CE2 4.07Å; F132-Y224 WeakPolarHBondContact CD2-OH 3.48Å
133V95.5Very high93.2Very high53 Ų5361.3 Ų61.332%0.32130%0.296SS..G310 helixtrans-59.7-21.4174.7-58.60000114.1E130 Q131 F135 P137 P221 L222E130-V133 WeakPolarHBondContact O-CG2 3.42Å; Q131-V133 PolarHBondContact O-N 3.26Å; Q131-V133 VanDerWaalsContact O-N 3.11Å; V133-F135 VanDerWaalsContact C-N 3.26Å; V133-F135 PolarHBondContact O-N 2.88Å; V133-P137 WeakPolarHBondContact O-CD 3.37Å; V133-P221 HydrophobicContact CG1-CG 3.31Å; V133-L222 HydrophobicContact CG1-CD1 4.16Å; V133-L222 HydrophobicContact CG1-CD2 4.43Å; V133-L222 HydrophobicContact CG1-CG 4.06Å
134R96.1Very high92.3Very high182 Ų18262.4 Ų62.469%0.68731%0.307SS*.G310 helixtrans-76.7-15.1-179.7-59.8179.2178.7174.9-2.2112.5Q131 F132 R136Q131-R134 VanDerWaalsContact O-CB 3.29Å; Q131-R134 WeakPolarHBondContact O-CB 3.5Å; Q131-R134 WeakPolarHBondContact O-CG 3.43Å; Q131-R134 PolarHBondContact O-N 3.25Å; F132-R134 PolarHBondContact O-N 2.86Å; F132-R134 VanDerWaalsContact O-N 3.11Å; R134-R136 VanDerWaalsContact C-N 3.32Å; R134-R136 PolarHBondContact O-N 3.18Å
135F95.9Very high90.9Very high46 Ų4665.3 Ų65.320%0.20232%0.32CS..SBendtrans-97.438.5-176.1-56.6-79.6000112.6Q131 F132 V133 H160 D163 V164 F167Q131-F135 WeakPolarHBondContact O-CD2 3.24Å; Q131-F135 WeakPolarHBondContact O-CE2 3.31Å; F132-F135 PolarHBondContact O-N 3.17Å; F132-F135 VanDerWaalsContact O-N 3.11Å; V133-F135 VanDerWaalsContact C-N 3.26Å; V133-F135 PolarHBondContact O-N 2.88Å; F135-H160 PolarHBondContact O-ND1 3.08Å; F135-D163 HydrophobicContact CB-CB 3.98Å; F135-D163 HydrophobicContact CD1-CB 3.73Å; F135-D163 HydrophobicContact CG-CB 4.12Å; F135-V164 HydrophobicContact CB-CG1 3.93Å; F135-V164 HydrophobicContact CD2-CG1 3.79Å; F135-V164 HydrophobicContact CG-CG1 4.03Å; F135-F167 HydrophobicContact CE1-CB 4.07Å; F135-F167 HydrophobicContact CE1-CG 4.4Å; F135-F167 HydrophobicContact CE2-CB 4.06Å; F135-F167 AromaticContact CE2-CD1 3.89Å; F135-F167 HydrophobicContact CE2-CD1 3.89Å; F135-F167 HydrophobicContact CE2-CD2 4.22Å; F135-F167 HydrophobicContact CE2-CE1 4.38Å; F135-F167 AromaticContact CE2-CG 3.8Å; F135-F167 HydrophobicContact CE2-CG 3.8Å; F135-F167 HydrophobicContact CZ-CB 3.51Å; F135-F167 HydrophobicContact CZ-CD1 4.02Å; F135-F167 AromaticContact CZ-CD2 3.57Å; F135-F167 HydrophobicContact CZ-CD2 3.57Å; F135-F167 HydrophobicContact CZ-CE2 4.22Å; F135-F167 AromaticContact CZ-CG 3.42Å; F135-F167 HydrophobicContact CZ-CG 3.42Å; F135-F167 VanDerWaalsContact CZ-CG 3.42Å
136R93.1Very high89.5Confident228 Ų22874 Ų7486%0.8636%0.361SS*.  trans46.253.7174.8-56.3-179.1-178.1-170.50.9113.8R134R134-R136 VanDerWaalsContact C-N 3.32Å; R134-R136 PolarHBondContact O-N 3.18Å
137P92Very high88Confident16 Ų1677 Ų7710%0.10437%0.373CS..  trans-59.3140179.626-35.5000111.3V133 L141 F142 L222V133-P137 WeakPolarHBondContact O-CD 3.37Å; P137-L141 HydrophobicContact CB-CD1 4.14Å; P137-F142 HydrophobicContact CB-CE2 4.24Å; P137-F142 HydrophobicContact CG-CE2 3.65Å; P137-F142 HydrophobicContact CG-CZ 3.61Å; P137-L222 HydrophobicContact CB-CD1 3.91Å; P137-L222 HydrophobicContact CB-CD2 3.81Å; P137-L222 HydrophobicContact CG-CD1 4Å; P137-L222 HydrophobicContact CG-CD2 3.78Å
138P90.5Very high86.4Confident19 Ų1976 Ų7612%0.12336%0.364CS..  trans-52.7142167.1-29.235.6000112.5H140 L141 P156 L157P138-H140 WeakPolarHBondContact CB-CE1 3.44Å; P138-H140 WeakPolarHBondContact CB-ND1 3.09Å; P138-H140 PolarHBondContact O-N 3.48Å; P138-H140 VanDerWaalsContact O-N 3.08Å; P138-L141 HydrophobicContact CB-CG 4.47Å; P138-L141 HydrophobicContact CG-CD1 4.44Å; P138-L141 WeakPolarHBondContact O-CB 3.26Å; P138-L141 PolarHBondContact O-N 3.42Å; P138-P156 HydrophobicContact CG-CB 4.33Å; P138-L157 HydrophobicContact CG-CB 4.08Å; P138-L157 HydrophobicContact CG-CD1 4.08Å
139A89Confident84.6Confident61 Ų6180.1 Ų80.150%0.50439%0.392SS..G310 helixtrans-56.6-31-174.600000114.1L141 F142 H145A139-L141 PolarHBondContact O-N 3.39Å; A139-F142 WeakPolarHBondContact O-CD2 3.49Å; A139-F142 PolarHBondContact O-N 3.49Å; A139-H145 WeakPolarHBondContact O-CB 3.49Å; A139-H145 PolarHBondContact O-CD2 2.87Å
140H87.3Confident82.8Confident32 Ų3286.2 Ų86.215%0.14843%0.43CS..G310 helixtrans-68.7-18.1-179.966.8-96.1000114P138 F142 L148 D228P138-H140 WeakPolarHBondContact CB-CE1 3.44Å; P138-H140 WeakPolarHBondContact CB-ND1 3.09Å; P138-H140 PolarHBondContact O-N 3.48Å; P138-H140 VanDerWaalsContact O-N 3.08Å; H140-F142 VanDerWaalsContact C-N 3.28Å; H140-L148 HydrophobicContact CB-CD1 3.82Å; H140-L148 WeakPolarHBondContact ND1-CD1 3.11Å; H140-D228 IonicContact CD2-OD1 3.56Å; H140-D228 IonicContact NE2-OD1 3.36Å
141L91.6Very high81.2Confident0 Ų087.7 Ų87.70%044%0.441CS..G310 helixtrans-75.6-18.2177-63.5-178.5000112.1P137 P138 A139 L157 L222 R223 Y224 D228P137-L141 HydrophobicContact CB-CD1 4.14Å; P138-L141 HydrophobicContact CB-CG 4.47Å; P138-L141 HydrophobicContact CG-CD1 4.44Å; P138-L141 WeakPolarHBondContact O-CB 3.26Å; P138-L141 PolarHBondContact O-N 3.42Å; A139-L141 PolarHBondContact O-N 3.39Å; L141-L157 HydrophobicContact CD1-CD1 3.89Å; L141-L157 HydrophobicContact CD2-CD1 4.22Å; L141-L157 HydrophobicContact CG-CD1 4.37Å; L141-L222 HydrophobicContact CB-CD2 4.22Å; L141-L222 CarbonylContact O-C 3.37Å; L141-L222 WeakPolarHBondContact O-CA 3.25Å; L141-R223 PolarHBondContact O-N 3.16Å; L141-Y224 HydrophobicContact CD1-CD1 4.15Å; L141-Y224 HydrophobicContact CD1-CE1 3.64Å; L141-Y224 HydrophobicContact CD2-CD1 4.12Å; L141-Y224 HydrophobicContact CD2-CE1 4.44Å; L141-D228 HydrophobicContact CD2-CB 4.38Å
142F91.8Very high79.4Confident60 Ų6086.9 Ų86.926%0.26344%0.443SS..BIsolated β-bridgetrans-73135.9-179.9-73.3-93.1000111.1P137 A139 H140 H144 H145 P221 L222P137-F142 HydrophobicContact CB-CE2 4.24Å; P137-F142 HydrophobicContact CG-CE2 3.65Å; P137-F142 HydrophobicContact CG-CZ 3.61Å; A139-F142 WeakPolarHBondContact O-CD2 3.49Å; A139-F142 PolarHBondContact O-N 3.49Å; H140-F142 VanDerWaalsContact C-N 3.28Å; F142-H144 PolarHBondContact O-N 3.49Å; F142-H145 PolarHBondContact O-N 3.17Å; F142-P221 WeakPolarHBondContact CA-O 3.46Å; F142-P221 HydrophobicContact CD1-CB 4.35Å; F142-P221 HydrophobicContact CD1-CG 4.39Å; F142-P221 HydrophobicContact CE1-CG 4.35Å; F142-L222 HydrophobicContact CD1-CD2 3.83Å; F142-L222 HydrophobicContact CD2-CD2 4.02Å; F142-L222 HydrophobicContact CE1-CD2 3.82Å; F142-L222 HydrophobicContact CE2-CD2 4.03Å; F142-L222 HydrophobicContact CG-CD2 3.94Å; F142-L222 HydrophobicContact CZ-CD2 3.93Å
143I80.8Confident77.9Confident84 Ų8491.3 Ų91.343%0.43147%0.472SS..THydrogen-bonded Turntrans-55.5-27.2-176.3-66.5166000113H145 L218 P221 R223I143-H145 VanDerWaalsContact C-N 3.34Å; I143-L218 HydrophobicContact CD1-CD2 4.47Å; I143-P221 WeakPolarHBondContact CG1-O 3.26Å; I143-P221 PolarHBondContact N-O 2.9Å; I143-R223 HydrophobicContact CG1-CB 4.08Å
144H77.2Confident76.8Confident172 Ų17291.1 Ų91.180%0.79647%0.471SS*.THydrogen-bonded Turntrans-81.2-8.2178.3-59.3-60.8000114.4F142F142-H144 PolarHBondContact O-N 3.49Å
145H69.9Low76Confident102 Ų10287.7 Ų87.747%0.47247%0.466SS..PPolyproline II helixtrans-102.4131.7179.5-70.6-89.4000111.4A139 F142 I143A139-H145 WeakPolarHBondContact O-CB 3.49Å; A139-H145 PolarHBondContact O-CD2 2.87Å; F142-H145 PolarHBondContact O-N 3.17Å; I143-H145 VanDerWaalsContact C-N 3.34Å
146Q65.9Low75.4Confident184 Ų18488.4 Ų88.486%0.8648%0.475SS*.PPolyproline II helixtrans-98.2171.7178.2-91.7-136.2-20.800111.8
147P60.5Low75.1Confident106 Ų10677.9 Ų77.969%0.68844%0.436SS*.PPolyproline II helixtrans-62.2153.6-13327.6-34.2000116
148L57.5Low74.7Confident51 Ų5177.8 Ų77.827%0.26744%0.435SS..PPolyproline II helixtrans-47.3128-179-167.671000112.8H140 T150 A152H140-L148 HydrophobicContact CB-CD1 3.82Å; H140-L148 WeakPolarHBondContact ND1-CD1 3.11Å; L148-T150 PolarHBondContact O-N 3.36Å; L148-A152 HydrophobicContact CD1-CB 3.54Å; L148-A152 HydrophobicContact CG-CB 4Å
149P58.6Low74.6Confident90 Ų9079.4 Ų79.458%0.58444%0.444SS*.PPolyproline II helixtrans-60.2136.5165-16.628.7000109.6L151 A152P149-L151 PolarHBondContact O-N 3.29Å; P149-A152 PolarHBondContact O-N 3.38Å
150T58.6Low74.7Confident143 Ų14376.6 Ų76.688%0.87742%0.421SS*.THydrogen-bonded Turntrans-55.1-9.6-179.418.90000115.4L148L148-T150 PolarHBondContact O-N 3.36Å
151L59.1Low74.8Confident158 Ų15876.5 Ų76.583%0.82742%0.42SS*.THydrogen-bonded Turntrans-122.419.4-177.5-87.3122000114P149P149-L151 PolarHBondContact O-N 3.29Å
152A60.4Low74.7Confident31 Ų3176.5 Ų76.526%0.25642%0.42SS..  trans-60.9136.6177.900000111.5L148 P149 V154L148-A152 HydrophobicContact CD1-CB 3.54Å; L148-A152 HydrophobicContact CG-CB 4Å; P149-A152 PolarHBondContact O-N 3.38Å; A152-V154 PolarHBondContact O-N 3.14Å
153P63.9Low74.8Confident99 Ų9976.7 Ų76.764%0.64342%0.424SS*.  trans-64.4127.5179.424.2-31.1000110.2P156P153-P156 HydrophobicContact CB-CG 4.27Å; P153-P156 HydrophobicContact CG-CG 4.19Å; P153-P156 WeakPolarHBondContact O-CD 3.48Å
154V72.7Confident75.5Confident50 Ų5072.9 Ų72.930%0.30341%0.405SS..SBendtrans-73.3-37.6-175.8169.80000112.1A152 L157 V158 R231 V232A152-V154 PolarHBondContact O-N 3.14Å; V154-L157 WeakPolarHBondContact O-CB 3.23Å; V154-L157 PolarHBondContact O-N 2.98Å; V154-V158 HydrophobicContact CG1-CG2 3.89Å; V154-V158 WeakPolarHBondContact O-CG2 3.44Å; V154-V158 PolarHBondContact O-N 3.23Å; V154-V158 VanDerWaalsContact O-N 3.16Å; V154-R231 WeakPolarHBondContact CG1-O 3.17Å; V154-V232 VanDerWaalsContact CG1-C 3.44Å; V154-V232 WeakPolarHBondContact CG1-O 3.12Å
155L78.8Confident76.3Confident110 Ų11066.1 Ų66.158%0.57637%0.374SS*.Hα-helixtrans-56.5-45.8-174.7179.365.4000114.1L157 V158 T159 M348L155-L157 PolarHBondContact O-N 2.91Å; L155-V158 PolarHBondContact O-N 3.1Å; L155-T159 PolarHBondContact O-N 3Å; L155-T159 PolarHBondContact O-OG1 3.41Å; L155-M348 HydrophobicContact CD1-CE 3.79Å
156P85.1Confident77.4Confident61 Ų6162.5 Ų62.540%0.39636%0.36SS..Hα-helixtrans-56.6-34.3174.3-27.935.3000114.6P138 P153 H160P138-P156 HydrophobicContact CG-CB 4.33Å; P153-P156 HydrophobicContact CB-CG 4.27Å; P153-P156 HydrophobicContact CG-CG 4.19Å; P153-P156 WeakPolarHBondContact O-CD 3.48Å; P156-H160 VanDerWaalsContact O-CB 3.29Å; P156-H160 WeakPolarHBondContact O-CB 3.17Å; P156-H160 PolarHBondContact O-N 2.84Å
157L85.6Confident78.9Confident7 Ų754.5 Ų54.54%0.03732%0.322CS..Hα-helixtrans-72.8-41.8178.1-177.462000111.2P138 L141 V154 L155 H160 F161 D228P138-L157 HydrophobicContact CG-CB 4.08Å; P138-L157 HydrophobicContact CG-CD1 4.08Å; L141-L157 HydrophobicContact CD1-CD1 3.89Å; L141-L157 HydrophobicContact CD2-CD1 4.22Å; L141-L157 HydrophobicContact CG-CD1 4.37Å; V154-L157 WeakPolarHBondContact O-CB 3.23Å; V154-L157 PolarHBondContact O-N 2.98Å; L155-L157 PolarHBondContact O-N 2.91Å; L157-H160 PolarHBondContact O-N 3.31Å; L157-F161 HydrophobicContact CD1-CD2 4.17Å; L157-F161 HydrophobicContact CD1-CE2 3.67Å; L157-F161 HydrophobicContact CD1-CZ 3.97Å; L157-F161 HydrophobicContact CD2-CE2 4.1Å; L157-F161 HydrophobicContact CG-CD2 3.98Å; L157-F161 HydrophobicContact CG-CE2 3.61Å; L157-F161 HydrophobicContact CG-CZ 4.39Å; L157-F161 WeakPolarHBondContact O-CD2 2.9Å; L157-F161 PolarHBondContact O-N 3.39Å; L157-D228 HydrophobicContact CD2-CB 4.37Å; L157-D228 WeakPolarHBondContact CD2-O 3.26Å
158V84.3Confident80.7Confident13 Ų1350 Ų508%0.07929%0.292CS..Hα-helixtrans-61.1-47.9175.6-171.80000111.2V154 L155 H160 F161 A162 V232 L345 M348V154-V158 HydrophobicContact CG1-CG2 3.89Å; V154-V158 WeakPolarHBondContact O-CG2 3.44Å; V154-V158 PolarHBondContact O-N 3.23Å; V154-V158 VanDerWaalsContact O-N 3.16Å; L155-V158 PolarHBondContact O-N 3.1Å; V158-H160 VanDerWaalsContact C-N 3.33Å; V158-H160 PolarHBondContact O-N 3.24Å; V158-F161 PolarHBondContact O-N 3.37Å; V158-A162 PolarHBondContact O-N 3.29Å; V158-V232 HydrophobicContact CB-CG1 4.13Å; V158-V232 HydrophobicContact CG1-CG1 3.9Å; V158-V232 HydrophobicContact CG2-CB 4.35Å; V158-V232 HydrophobicContact CG2-CG1 3.52Å; V158-V232 WeakPolarHBondContact CG2-O 2.85Å; V158-L345 HydrophobicContact CG1-CD1 3.84Å; V158-M348 HydrophobicContact CG1-SD 4.07Å
159T87.9Confident82.5Confident53 Ų5347.7 Ų47.733%0.32528%0.28SS..Hα-helixtrans-61.7-43.1177.8-55.40000111.2L155 F161 A162 D163L155-T159 PolarHBondContact O-N 3Å; L155-T159 PolarHBondContact O-OG1 3.41Å; T159-F161 VanDerWaalsContact C-N 3.34Å; T159-F161 PolarHBondContact O-N 2.84Å; T159-A162 PolarHBondContact O-N 3.23Å; T159-D163 WeakPolarHBondContact O-CB 3.26Å; T159-D163 PolarHBondContact O-N 3.32Å
160H91.8Very high84.4Confident2 Ų247.5 Ų47.51%0.00927%0.271CS..Hα-helixtrans-58.5-45.8175176.564.1000112F135 P156 L157 V158 D163 V164 Y224F135-H160 PolarHBondContact O-ND1 3.08Å; P156-H160 VanDerWaalsContact O-CB 3.29Å; P156-H160 WeakPolarHBondContact O-CB 3.17Å; P156-H160 PolarHBondContact O-N 2.84Å; L157-H160 PolarHBondContact O-N 3.31Å; V158-H160 VanDerWaalsContact C-N 3.33Å; V158-H160 PolarHBondContact O-N 3.24Å; H160-D163 PolarHBondContact O-N 2.96Å; H160-V164 VanDerWaalsContact CE1-CG1 3.49Å; H160-V164 WeakPolarHBondContact CE1-CG1 3.31Å; H160-V164 WeakPolarHBondContact O-CG2 3.42Å; H160-V164 PolarHBondContact O-N 3.05Å; H160-Y224 AromaticContact CD2-CE1 3.91Å; H160-Y224 AromaticContact NE2-CE1 3.57Å; H160-Y224 AromaticContact NE2-CZ 3.56Å; H160-Y224 PolarHBondContact NE2-OH 3.25Å
161F90Very high86.3Confident30 Ų3041.3 Ų41.313%0.13223%0.232CC..Hα-helixtrans-62.4-42176-77.5-46.3000112.8L157 V158 T159 D163 V164 N165 Y224 D228 V232L157-F161 HydrophobicContact CD1-CD2 4.17Å; L157-F161 HydrophobicContact CD1-CE2 3.67Å; L157-F161 HydrophobicContact CD1-CZ 3.97Å; L157-F161 HydrophobicContact CD2-CE2 4.1Å; L157-F161 HydrophobicContact CG-CD2 3.98Å; L157-F161 HydrophobicContact CG-CE2 3.61Å; L157-F161 HydrophobicContact CG-CZ 4.39Å; L157-F161 WeakPolarHBondContact O-CD2 2.9Å; L157-F161 PolarHBondContact O-N 3.39Å; V158-F161 PolarHBondContact O-N 3.37Å; T159-F161 VanDerWaalsContact C-N 3.34Å; T159-F161 PolarHBondContact O-N 2.84Å; F161-D163 VanDerWaalsContact C-N 3.35Å; F161-D163 PolarHBondContact O-N 2.84Å; F161-V164 WeakPolarHBondContact O-CG2 2.9Å; F161-N165 WeakPolarHBondContact O-CB 3.13Å; F161-N165 PolarHBondContact O-N 3.45Å; F161-N165 PolarHBondContact O-ND2 3.44Å; F161-Y224 HydrophobicContact CD1-CE1 4.38Å; F161-Y224 AromaticContact CE1-CD1 3.48Å; F161-Y224 HydrophobicContact CE1-CD1 3.48Å; F161-Y224 VanDerWaalsContact CE1-CD1 3.48Å; F161-Y224 AromaticContact CE1-CE1 3.7Å; F161-Y224 HydrophobicContact CE1-CE1 3.7Å; F161-Y224 AromaticContact CZ-CD1 3.96Å; F161-Y224 HydrophobicContact CZ-CD1 3.96Å; F161-Y224 HydrophobicContact CZ-CE1 4.44Å; F161-D228 HydrophobicContact CZ-CB 4.19Å; F161-V232 HydrophobicContact CD2-CG2 3.57Å; F161-V232 HydrophobicContact CE2-CG2 3.6Å
162A89.4Confident88.2Confident0 Ų033.8 Ų33.80%019%0.193CC..Hα-helixtrans-60.1-45.4176.900000112V158 T159 T166 L345 M348 M349V158-A162 PolarHBondContact O-N 3.29Å; T159-A162 PolarHBondContact O-N 3.23Å; A162-T166 WeakPolarHBondContact O-CB 3.41Å; A162-T166 PolarHBondContact O-N 2.75Å; A162-T166 PolarHBondContact O-OG1 3.41Å; A162-L345 HydrophobicContact CB-CD1 4.21Å; A162-M348 HydrophobicContact CB-CB 3.76Å; A162-M349 HydrophobicContact CB-CG 3.45Å; A162-M349 VanDerWaalsContact CB-CG 3.45Å; A162-M349 HydrophobicContact CB-SD 3.92Å
163D93.3Very high89.9Confident64 Ų6433.9 Ų33.934%0.34219%0.189SC..Hα-helixtrans-64.6-49.3179.6-75.1-19.6000111.9F135 T159 H160 F161 N165 T166 F167F135-D163 HydrophobicContact CB-CB 3.98Å; F135-D163 HydrophobicContact CD1-CB 3.73Å; F135-D163 HydrophobicContact CG-CB 4.12Å; T159-D163 WeakPolarHBondContact O-CB 3.26Å; T159-D163 PolarHBondContact O-N 3.32Å; H160-D163 PolarHBondContact O-N 2.96Å; F161-D163 VanDerWaalsContact C-N 3.35Å; F161-D163 PolarHBondContact O-N 2.84Å; D163-N165 PolarHBondContact O-N 2.76Å; D163-T166 PolarHBondContact O-N 3.08Å; D163-F167 WeakPolarHBondContact O-CB 2.99Å; D163-F167 PolarHBondContact O-N 3.25Å
164V95.4Very high91.6Very high4 Ų433.8 Ų33.82%0.02418%0.178CC..Hα-helixtrans-66.7-39.8-179-60.80000111.6F132 F135 H160 F161 F167 M168F132-V164 HydrophobicContact CB-CG1 4.16Å; F132-V164 HydrophobicContact CD1-CB 4.15Å; F132-V164 HydrophobicContact CD1-CG1 4.01Å; F132-V164 HydrophobicContact CD2-CB 4.21Å; F132-V164 HydrophobicContact CD2-CG1 4.06Å; F132-V164 HydrophobicContact CE1-CB 4.01Å; F132-V164 HydrophobicContact CE1-CG1 4.39Å; F132-V164 HydrophobicContact CE2-CB 4.07Å; F132-V164 HydrophobicContact CE2-CG1 4.43Å; F132-V164 HydrophobicContact CE2-CG2 4.27Å; F132-V164 HydrophobicContact CG-CB 4.24Å; F132-V164 HydrophobicContact CG-CG1 3.82Å; F132-V164 HydrophobicContact CZ-CB 3.97Å; F132-V164 HydrophobicContact CZ-CG2 4.46Å; F135-V164 HydrophobicContact CB-CG1 3.93Å; F135-V164 HydrophobicContact CD2-CG1 3.79Å; F135-V164 HydrophobicContact CG-CG1 4.03Å; H160-V164 VanDerWaalsContact CE1-CG1 3.49Å; H160-V164 WeakPolarHBondContact CE1-CG1 3.31Å; H160-V164 WeakPolarHBondContact O-CG2 3.42Å; H160-V164 PolarHBondContact O-N 3.05Å; F161-V164 WeakPolarHBondContact O-CG2 2.9Å; V164-F167 WeakPolarHBondContact O-CB 3.19Å; V164-F167 PolarHBondContact O-N 3.39Å; V164-M168 VanDerWaalsContact O-CG 3.22Å; V164-M168 WeakPolarHBondContact O-CG 3.5Å; V164-M168 PolarHBondContact O-N 3.42Å
165N93.1Very high92.8Very high31 Ų3131.4 Ų31.417%0.16616%0.164CC..Hα-helixtrans-64.4-43.2176.6-84.2-83.8000111.6F161 D163 F167 M168 V169 Y335 M349F161-N165 WeakPolarHBondContact O-CB 3.13Å; F161-N165 PolarHBondContact O-N 3.45Å; F161-N165 PolarHBondContact O-ND2 3.44Å; D163-N165 PolarHBondContact O-N 2.76Å; N165-F167 VanDerWaalsContact C-N 3.3Å; N165-F167 PolarHBondContact O-N 3.02Å; N165-M168 HydrophobicContact CB-CE 4.28Å; N165-M168 PolarHBondContact O-N 2.97Å; N165-M168 VanDerWaalsContact OD1-CE 3.25Å; N165-M168 WeakPolarHBondContact OD1-CE 3.44Å; N165-V169 WeakPolarHBondContact O-CG2 3.33Å; N165-V169 PolarHBondContact O-N 3.12Å; N165-Y335 PolarHBondContact OD1-OH 3.38Å; N165-Y335 VanDerWaalsContact OD1-OH 3.14Å; N165-M349 HydrophobicContact CB-CE 3.18Å
166T94.4Very high93.7Very high26 Ų2626.1 Ų26.116%0.1614%0.136CC..Hα-helixtrans-58.5-44.9174.2-60.90000110.8A162 D163 V169 Q170 L351A162-T166 WeakPolarHBondContact O-CB 3.41Å; A162-T166 PolarHBondContact O-N 2.75Å; A162-T166 PolarHBondContact O-OG1 3.41Å; D163-T166 PolarHBondContact O-N 3.08Å; T166-V169 PolarHBondContact O-N 3.38Å; T166-Q170 VanDerWaalsContact O-CG 3.3Å; T166-Q170 WeakPolarHBondContact O-CG 3.38Å; T166-Q170 PolarHBondContact O-N 2.82Å; T166-L351 HydrophobicContact CG2-CD2 4.29Å
167F97.1Very high94.4Very high16 Ų1628.9 Ų28.97%0.0714%0.142CC..Hα-helixtrans-62.3-42.4175.4171.3-103.2000112.6M128 Q131 F132 F135 D163 V164 N165 V169 Q170 Q171M128-F167 HydrophobicContact CB-CE1 3.91Å; M128-F167 HydrophobicContact CB-CZ 4.36Å; M128-F167 WeakPolarHBondContact O-CE1 3.37Å; Q131-F167 HydrophobicContact CB-CE1 4.2Å; Q131-F167 HydrophobicContact CB-CZ 4.01Å; Q131-F167 HydrophobicContact CG-CZ 4.45Å; F132-F167 HydrophobicContact CD1-CD1 4.39Å; F132-F167 HydrophobicContact CE1-CD1 4.07Å; F132-F167 HydrophobicContact CE1-CE1 4.38Å; F135-F167 HydrophobicContact CE1-CB 4.07Å; F135-F167 HydrophobicContact CE1-CG 4.4Å; F135-F167 HydrophobicContact CE2-CB 4.06Å; F135-F167 AromaticContact CE2-CD1 3.89Å; F135-F167 HydrophobicContact CE2-CD1 3.89Å; F135-F167 HydrophobicContact CE2-CD2 4.22Å; F135-F167 HydrophobicContact CE2-CE1 4.38Å; F135-F167 AromaticContact CE2-CG 3.8Å; F135-F167 HydrophobicContact CE2-CG 3.8Å; F135-F167 HydrophobicContact CZ-CB 3.51Å; F135-F167 HydrophobicContact CZ-CD1 4.02Å; F135-F167 AromaticContact CZ-CD2 3.57Å; F135-F167 HydrophobicContact CZ-CD2 3.57Å; F135-F167 HydrophobicContact CZ-CE2 4.22Å; F135-F167 AromaticContact CZ-CG 3.42Å; F135-F167 HydrophobicContact CZ-CG 3.42Å; F135-F167 VanDerWaalsContact CZ-CG 3.42Å; D163-F167 WeakPolarHBondContact O-CB 2.99Å; D163-F167 PolarHBondContact O-N 3.25Å; V164-F167 WeakPolarHBondContact O-CB 3.19Å; V164-F167 PolarHBondContact O-N 3.39Å; N165-F167 VanDerWaalsContact C-N 3.3Å; N165-F167 PolarHBondContact O-N 3.02Å; F167-V169 PolarHBondContact O-N 3.35Å; F167-Q170 WeakPolarHBondContact O-CB 3.48Å; F167-Q170 PolarHBondContact O-N 3.45Å; F167-Q171 HydrophobicContact CD1-CG 4.49Å; F167-Q171 HydrophobicContact CE1-CG 4.05Å; F167-Q171 HydrophobicContact CE2-CG 4.11Å; F167-Q171 HydrophobicContact CZ-CG 3.85Å; F167-Q171 WeakPolarHBondContact O-CG 3.28Å; F167-Q171 PolarHBondContact O-N 3.35Å
168M97.6Very high95Very high10 Ų1031.2 Ų31.25%0.04916%0.155CC..Hα-helixtrans-59.3-48.8178.3-68-162.8-73.400111.4M128 F129 F132 V164 N165 Q170 Q171 V172 C202M128-M168 VanDerWaalsContact CE-CA 3.42Å; M128-M168 HydrophobicContact CE-CB 3.51Å; M128-M168 HydrophobicContact CE-CG 3.39Å; M128-M168 HydrophobicContact CE-SD 4.21Å; F129-M168 HydrophobicContact CE1-SD 4.01Å; F132-M168 HydrophobicContact CE1-CG 3.95Å; F132-M168 HydrophobicContact CZ-CG 3.65Å; F132-M168 HydrophobicContact CZ-SD 3.74Å; V164-M168 VanDerWaalsContact O-CG 3.22Å; V164-M168 WeakPolarHBondContact O-CG 3.5Å; V164-M168 PolarHBondContact O-N 3.42Å; N165-M168 HydrophobicContact CB-CE 4.28Å; N165-M168 PolarHBondContact O-N 2.97Å; N165-M168 VanDerWaalsContact OD1-CE 3.25Å; N165-M168 WeakPolarHBondContact OD1-CE 3.44Å; M168-Q170 VanDerWaalsContact C-N 3.3Å; M168-Q170 PolarHBondContact O-N 3.26Å; M168-Q171 WeakPolarHBondContact O-CB 3.22Å; M168-Q171 PolarHBondContact O-N 3.16Å; M168-Q171 VanDerWaalsContact O-N 3.08Å; M168-V172 PolarHBondContact O-N 2.8Å; M168-C202 HydrophobicContact CE-CB 4.46Å; M168-C202 HydrophobicContact SD-CB 4.41Å
169V96.3Very high95.6Very high3 Ų330.8 Ų30.82%0.01815%0.152CC..Hα-helixtrans-57.7-43.5176.2166.90000111.3N165 T166 F167 Q171 V172 I173 L351 L352 I355N165-V169 WeakPolarHBondContact O-CG2 3.33Å; N165-V169 PolarHBondContact O-N 3.12Å; T166-V169 PolarHBondContact O-N 3.38Å; F167-V169 PolarHBondContact O-N 3.35Å; V169-Q171 VanDerWaalsContact C-N 3.28Å; V169-Q171 PolarHBondContact O-N 2.92Å; V169-V172 WeakPolarHBondContact O-CB 3.32Å; V169-V172 PolarHBondContact O-N 2.98Å; V169-V172 VanDerWaalsContact O-N 3.14Å; V169-I173 HydrophobicContact CG1-CD1 3.92Å; V169-I173 HydrophobicContact CG1-CG1 4.44Å; V169-I173 WeakPolarHBondContact O-CG1 3.42Å; V169-I173 PolarHBondContact O-N 3.05Å; V169-L351 HydrophobicContact CB-CD2 4.37Å; V169-L351 HydrophobicContact CG1-CD2 3.7Å; V169-L351 HydrophobicContact CG1-CG 4Å; V169-L352 HydrophobicContact CG2-CD1 3.99Å; V169-I355 HydrophobicContact CB-CD1 4.35Å; V169-I355 HydrophobicContact CG1-CD1 3.14Å; V169-I355 HydrophobicContact CG2-CD1 4.3Å
170Q97.5Very high96.1Very high86 Ų8632.5 Ų32.540%0.40216%0.164SC..Hα-helixtrans-61.3-36.4176.9-72.5172.8-5.500112.4T166 F167 M168 I173 K174 L351T166-Q170 VanDerWaalsContact O-CG 3.3Å; T166-Q170 WeakPolarHBondContact O-CG 3.38Å; T166-Q170 PolarHBondContact O-N 2.82Å; F167-Q170 WeakPolarHBondContact O-CB 3.48Å; F167-Q170 PolarHBondContact O-N 3.45Å; M168-Q170 VanDerWaalsContact C-N 3.3Å; M168-Q170 PolarHBondContact O-N 3.26Å; Q170-I173 PolarHBondContact O-N 2.94Å; Q170-K174 WeakPolarHBondContact O-CG 3.25Å; Q170-K174 PolarHBondContact O-N 2.92Å; Q170-K174 VanDerWaalsContact O-N 3.08Å; Q170-L351 HydrophobicContact CG-CD2 3.8Å
171Q98.4Very high96.2Very high13 Ų1335 Ų356%0.06118%0.179CC..Hα-helixtrans-69.3-37.9174.1-62-46.4-4300112H124 M125 M128 F167 M168 V169 K174 F175H124-Q171 WeakPolarHBondContact O-CB 3.17Å; H124-Q171 WeakPolarHBondContact O-CG 3.48Å; H124-Q171 PolarHBondContact O-OE1 3.11Å; M125-Q171 HydrophobicContact CG-CB 4.25Å; M128-Q171 HydrophobicContact CB-CG 4.14Å; M128-Q171 HydrophobicContact CE-CB 4.21Å; M128-Q171 HydrophobicContact CE-CG 4.41Å; M128-Q171 HydrophobicContact SD-CB 4.22Å; F167-Q171 HydrophobicContact CD1-CG 4.49Å; F167-Q171 HydrophobicContact CE1-CG 4.05Å; F167-Q171 HydrophobicContact CE2-CG 4.11Å; F167-Q171 HydrophobicContact CZ-CG 3.85Å; F167-Q171 WeakPolarHBondContact O-CG 3.28Å; F167-Q171 PolarHBondContact O-N 3.35Å; M168-Q171 WeakPolarHBondContact O-CB 3.22Å; M168-Q171 PolarHBondContact O-N 3.16Å; M168-Q171 VanDerWaalsContact O-N 3.08Å; V169-Q171 VanDerWaalsContact C-N 3.28Å; V169-Q171 PolarHBondContact O-N 2.92Å; Q171-K174 PolarHBondContact O-N 3.3Å; Q171-F175 WeakPolarHBondContact O-CB 3.43Å; Q171-F175 PolarHBondContact O-N 3.44Å
172V98.3Very high96.6Very high1 Ų133.6 Ų33.61%0.00617%0.173CC..Hα-helixtrans-60.7-46.3172.5175.50000110.7M125 M168 V169 K174 F175 T176 L194 A198 I201M125-V172 HydrophobicContact SD-CG2 3.98Å; M168-V172 PolarHBondContact O-N 2.8Å; V169-V172 WeakPolarHBondContact O-CB 3.32Å; V169-V172 PolarHBondContact O-N 2.98Å; V169-V172 VanDerWaalsContact O-N 3.14Å; V172-K174 VanDerWaalsContact C-N 3.29Å; V172-K174 PolarHBondContact O-N 2.85Å; V172-F175 WeakPolarHBondContact O-CB 3.36Å; V172-F175 PolarHBondContact O-N 3.19Å; V172-F175 VanDerWaalsContact O-N 3.14Å; V172-T176 HydrophobicContact CG1-CG2 4.3Å; V172-T176 WeakPolarHBondContact O-CG2 3.28Å; V172-T176 PolarHBondContact O-N 2.9Å; V172-L194 HydrophobicContact CG1-CD2 4.41Å; V172-A198 HydrophobicContact CG1-CB 4.41Å; V172-I201 HydrophobicContact CG1-CB 4.1Å; V172-I201 HydrophobicContact CG1-CD1 3.86Å; V172-I201 HydrophobicContact CG1-CG2 3.96Å; V172-I201 HydrophobicContact CG2-CB 4.23Å; V172-I201 HydrophobicContact CG2-CG2 3.73Å
173I97.9Very high96.9Very high33 Ų3342.6 Ų42.617%0.16921%0.207CC..Hα-helixtrans-59.5-39.6176.9-66.9166.6000111.6V169 Q170 T176 K177 L194 L351V169-I173 HydrophobicContact CG1-CD1 3.92Å; V169-I173 HydrophobicContact CG1-CG1 4.44Å; V169-I173 WeakPolarHBondContact O-CG1 3.42Å; V169-I173 PolarHBondContact O-N 3.05Å; Q170-I173 PolarHBondContact O-N 2.94Å; I173-T176 PolarHBondContact O-OG1 3.37Å; I173-T176 VanDerWaalsContact O-OG1 3.11Å; I173-K177 HydrophobicContact CG2-CD 4.05Å; I173-K177 WeakPolarHBondContact O-CB 3.3Å; I173-K177 VanDerWaalsContact O-CG 3.29Å; I173-K177 WeakPolarHBondContact O-CG 3.34Å; I173-K177 PolarHBondContact O-N 2.82Å; I173-K177 VanDerWaalsContact O-N 3.09Å; I173-L194 HydrophobicContact CG1-CD1 4.21Å; I173-L194 HydrophobicContact CG1-CD2 3.99Å; I173-L351 HydrophobicContact CD1-CD1 4.37Å; I173-L351 HydrophobicContact CD1-CD2 4.35Å
174K98.4Very high97.1Very high96 Ų9643.5 Ų43.542%0.41722%0.218SC..Hα-helixtrans-67.4-43.1175.6-71169.6-175.9169.40111.6H124 Q170 Q171 V172 K177 D178H124-K174 HydrophobicContact CB-CB 4.12Å; Q170-K174 WeakPolarHBondContact O-CG 3.25Å; Q170-K174 PolarHBondContact O-N 2.92Å; Q170-K174 VanDerWaalsContact O-N 3.08Å; Q171-K174 PolarHBondContact O-N 3.3Å; V172-K174 VanDerWaalsContact C-N 3.29Å; V172-K174 PolarHBondContact O-N 2.85Å; K174-K177 PolarHBondContact O-N 3.47Å; K174-D178 WeakPolarHBondContact O-CB 3.3Å; K174-D178 PolarHBondContact O-N 3.17Å; K174-D178 VanDerWaalsContact O-N 3.13Å
175F98.6Very high97.1Very high0 Ų043.6 Ų43.60%022%0.219CC..Hα-helixtrans-55.3-51.2173.9162.7-100.6000111.3L117 A120 H121 H124 M125 Q171 V172 K177 D178 L179L117-F175 HydrophobicContact CD2-CZ 4.29Å; A120-F175 HydrophobicContact CB-CD2 3.71Å; A120-F175 HydrophobicContact CB-CE2 3.93Å; H121-F175 HydrophobicContact CB-CD2 4.45Å; H121-F175 HydrophobicContact CB-CE2 4.23Å; H124-F175 HydrophobicContact CB-CB 4.27Å; M125-F175 HydrophobicContact CE-CB 3.82Å; M125-F175 HydrophobicContact CE-CD1 3.67Å; M125-F175 HydrophobicContact CE-CD2 3.45Å; M125-F175 VanDerWaalsContact CE-CD2 3.45Å; M125-F175 HydrophobicContact CE-CE1 4.06Å; M125-F175 HydrophobicContact CE-CE2 3.86Å; M125-F175 HydrophobicContact CE-CG 3.34Å; M125-F175 HydrophobicContact CE-CZ 4.14Å; M125-F175 HydrophobicContact CG-CB 4.19Å; M125-F175 HydrophobicContact SD-CB 3.95Å; M125-F175 HydrophobicContact SD-CD1 4.41Å; M125-F175 HydrophobicContact SD-CG 4.1Å; Q171-F175 WeakPolarHBondContact O-CB 3.43Å; Q171-F175 PolarHBondContact O-N 3.44Å; V172-F175 WeakPolarHBondContact O-CB 3.36Å; V172-F175 PolarHBondContact O-N 3.19Å; V172-F175 VanDerWaalsContact O-N 3.14Å; F175-K177 PolarHBondContact O-N 3.48Å; F175-D178 WeakPolarHBondContact O-CB 3.5Å; F175-D178 PolarHBondContact O-N 3.13Å; F175-L179 HydrophobicContact CE1-CD1 4.12Å; F175-L179 HydrophobicContact CE2-CD2 4.34Å; F175-L179 HydrophobicContact CZ-CD1 4.03Å
176T98.1Very high97.2Very high0 Ų044.5 Ų44.50%023%0.226CC..Hα-helixtrans-65.7-41.2-17865.70000112.2V172 I173 D178 L179 F182 L194 L271V172-T176 HydrophobicContact CG1-CG2 4.3Å; V172-T176 WeakPolarHBondContact O-CG2 3.28Å; V172-T176 PolarHBondContact O-N 2.9Å; I173-T176 PolarHBondContact O-OG1 3.37Å; I173-T176 VanDerWaalsContact O-OG1 3.11Å; T176-D178 PolarHBondContact O-N 3.41Å; T176-L179 WeakPolarHBondContact O-CB 3.45Å; T176-L179 PolarHBondContact O-N 3.47Å; T176-L179 VanDerWaalsContact O-N 3.07Å; T176-F182 WeakPolarHBondContact O-CB 3.5Å; T176-F182 WeakPolarHBondContact O-CD1 3.35Å; T176-F182 WeakPolarHBondContact OG1-CE1 3.44Å; T176-L194 HydrophobicContact CG2-CD2 3.78Å; T176-L271 HydrophobicContact CG2-CD1 3.65Å; T176-L271 HydrophobicContact CG2-CD2 3.59Å; T176-L271 HydrophobicContact CG2-CG 4.25Å
177K97.9Very high97.1Very high119 Ų11948 Ų4852%0.51724%0.243SC..Hα-helixtrans-65.3-21177.7-75.6-179.2176.1-178.90114.2I173 K174 F175 L179I173-K177 HydrophobicContact CG2-CD 4.05Å; I173-K177 WeakPolarHBondContact O-CB 3.3Å; I173-K177 VanDerWaalsContact O-CG 3.29Å; I173-K177 WeakPolarHBondContact O-CG 3.34Å; I173-K177 PolarHBondContact O-N 2.82Å; I173-K177 VanDerWaalsContact O-N 3.09Å; K174-K177 PolarHBondContact O-N 3.47Å; F175-K177 PolarHBondContact O-N 3.48Å; K177-L179 VanDerWaalsContact C-N 3.31Å
178D98.2Very high96.9Very high56 Ų5652.5 Ų52.530%0.29926%0.264SS..THydrogen-bonded Turntrans-83.3-9176.7-156.325.1000112.5A120 R123 H124 K174 F175 T176 P180A120-D178 HydrophobicContact CB-CB 4.07Å; R123-D178 IonicContact CZ-OD2 3.18Å; R123-D178 IonicContact NE-OD2 2.8Å; R123-D178 PolarHBondContact NE-OD2 3.14Å; R123-D178 IonicContact NH2-OD1 3.68Å; R123-D178 IonicContact NH2-OD2 2.71Å; R123-D178 PolarHBondContact NH2-OD2 3.2Å; H124-D178 IonicContact CD2-OD2 2.78Å; H124-D178 IonicContact NE2-OD2 2.96Å; H124-D178 PolarHBondContact NE2-OD2 3.01Å; K174-D178 WeakPolarHBondContact O-CB 3.3Å; K174-D178 PolarHBondContact O-N 3.17Å; K174-D178 VanDerWaalsContact O-N 3.13Å; F175-D178 WeakPolarHBondContact O-CB 3.5Å; F175-D178 PolarHBondContact O-N 3.13Å; T176-D178 PolarHBondContact O-N 3.41Å; D178-P180 WeakPolarHBondContact O-CD 3.3Å
179L98.3Very high96.6Very high3 Ų352 Ų522%0.01626%0.262CS..  trans-86.2120.7175.2-54.6-178.3000110.1T116 L117 A120 F175 T176 K177 V181 F182 R183 L271T116-L179 HydrophobicContact CG2-CD2 4.41Å; L117-L179 HydrophobicContact CD2-CD1 3.94Å; L117-L179 HydrophobicContact CD2-CD2 3.88Å; A120-L179 HydrophobicContact CB-CD2 3.69Å; F175-L179 HydrophobicContact CE1-CD1 4.12Å; F175-L179 HydrophobicContact CE2-CD2 4.34Å; F175-L179 HydrophobicContact CZ-CD1 4.03Å; T176-L179 WeakPolarHBondContact O-CB 3.45Å; T176-L179 PolarHBondContact O-N 3.47Å; T176-L179 VanDerWaalsContact O-N 3.07Å; K177-L179 VanDerWaalsContact C-N 3.31Å; L179-V181 VanDerWaalsContact C-N 3.32Å; L179-V181 PolarHBondContact O-N 3.39Å; L179-F182 HydrophobicContact CB-CB 3.98Å; L179-F182 PolarHBondContact O-N 3.3Å; L179-F182 VanDerWaalsContact O-N 3.16Å; L179-R183 PolarHBondContact O-N 2.83Å; L179-R183 VanDerWaalsContact O-N 3.08Å; L179-L271 HydrophobicContact CD1-CD2 4.09Å
180P97.1Very high96.5Very high89 Ų8952.9 Ų52.958%0.57827%0.266SS*.Hα-helixtrans-56.2-44.2-179.7-27.235.4000113.2D178 F182 R183 S184D178-P180 WeakPolarHBondContact O-CD 3.3Å; P180-F182 VanDerWaalsContact C-N 3.32Å; P180-F182 PolarHBondContact O-N 2.84Å; P180-R183 PolarHBondContact O-N 3.18Å; P180-S184 PolarHBondContact O-N 2.99Å; P180-S184 VanDerWaalsContact O-N 3.13Å; P180-S184 PolarHBondContact O-OG 3.23Å
181V95.3Very high96.2Very high56 Ų5652 Ų5234%0.33926%0.263SS..Hα-helixtrans-67-27.6-179.5-650000113.7L179 S184 F272 L293L179-V181 VanDerWaalsContact C-N 3.32Å; L179-V181 PolarHBondContact O-N 3.39Å; V181-S184 PolarHBondContact O-OG 3.2Å; V181-F272 HydrophobicContact CG2-CE2 4.39Å; V181-F272 HydrophobicContact CG2-CZ 3.83Å; V181-L293 HydrophobicContact CB-CD2 4.22Å; V181-L293 HydrophobicContact CG1-CD2 4.42Å
182F97.4Very high95.8Very high0 Ų052 Ų520%026%0.264CS..Hα-helixtrans-77.9-41.5174.2179.7-95.6000110.6T176 L179 P180 S184 L185 Q190 L193 L194 L271 F272T176-F182 WeakPolarHBondContact O-CB 3.5Å; T176-F182 WeakPolarHBondContact O-CD1 3.35Å; T176-F182 WeakPolarHBondContact OG1-CE1 3.44Å; L179-F182 HydrophobicContact CB-CB 3.98Å; L179-F182 PolarHBondContact O-N 3.3Å; L179-F182 VanDerWaalsContact O-N 3.16Å; P180-F182 VanDerWaalsContact C-N 3.32Å; P180-F182 PolarHBondContact O-N 2.84Å; F182-S184 PolarHBondContact O-N 3.43Å; F182-L185 HydrophobicContact CD2-CD1 4.48Å; F182-L185 WeakPolarHBondContact O-CB 3.42Å; F182-L185 PolarHBondContact O-N 3.38Å; F182-Q190 HydrophobicContact CD1-CG 4.13Å; F182-Q190 HydrophobicContact CE1-CB 3.78Å; F182-Q190 HydrophobicContact CE1-CG 3.69Å; F182-Q190 HydrophobicContact CE2-CB 4.2Å; F182-Q190 HydrophobicContact CE2-CG 4.23Å; F182-Q190 HydrophobicContact CZ-CB 3.5Å; F182-Q190 VanDerWaalsContact CZ-CB 3.5Å; F182-Q190 HydrophobicContact CZ-CG 3.75Å; F182-Q190 WeakPolarHBondContact CZ-O 3.38Å; F182-Q190 WeakPolarHBondContact O-CG 3.41Å; F182-Q190 PolarHBondContact O-NE2 3.22Å; F182-L193 HydrophobicContact CD2-CD1 4.43Å; F182-L193 HydrophobicContact CE2-CB 4.11Å; F182-L193 HydrophobicContact CE2-CD1 4.14Å; F182-L194 HydrophobicContact CE1-CD1 4.35Å; F182-L194 HydrophobicContact CZ-CD1 3.87Å; F182-L194 HydrophobicContact CZ-CG 3.88Å; F182-L271 HydrophobicContact CD2-CD1 4.2Å; F182-L271 HydrophobicContact CD2-CD2 3.92Å; F182-L271 HydrophobicContact CD2-CG 4.23Å; F182-L271 HydrophobicContact CE2-CD1 3.87Å; F182-L271 HydrophobicContact CE2-CD2 4.41Å; F182-L271 HydrophobicContact CE2-CG 4.39Å; F182-F272 HydrophobicContact CB-CE1 4.3Å; F182-F272 HydrophobicContact CB-CZ 4.14Å; F182-F272 HydrophobicContact CD2-CE1 4.18Å
183R96.9Very high95.5Very high188 Ų18851.9 Ų51.971%0.70926%0.264SS*.Hα-helixtrans-66.3-25.6-178.4-172.3174.5178.6175.9-0.6113.1L179 P180 L185 Q190L179-R183 PolarHBondContact O-N 2.83Å; L179-R183 VanDerWaalsContact O-N 3.08Å; P180-R183 PolarHBondContact O-N 3.18Å; R183-L185 VanDerWaalsContact C-N 3.32Å; R183-Q190 PolarHBondContact O-NE2 3.3Å
184S96.7Very high95.3Very high83 Ų8351.3 Ų51.358%0.5826%0.261SS*.THydrogen-bonded Turntrans-75-18.3175.953.60000113.9P180 V181 F182P180-S184 PolarHBondContact O-N 2.99Å; P180-S184 VanDerWaalsContact O-N 3.13Å; P180-S184 PolarHBondContact O-OG 3.23Å; V181-S184 PolarHBondContact O-OG 3.2Å; F182-S184 PolarHBondContact O-N 3.43Å
185L95.7Very high94.8Very high6 Ų649.6 Ų49.63%0.03125%0.254CS..SBendtrans-69.9155.4179.1-63.8173.9000111.7F182 R183 D189 Q190 L193 F272 E289 I290F182-L185 HydrophobicContact CD2-CD1 4.48Å; F182-L185 WeakPolarHBondContact O-CB 3.42Å; F182-L185 PolarHBondContact O-N 3.38Å; R183-L185 VanDerWaalsContact C-N 3.32Å; L185-D189 HydrophobicContact CB-CB 4.4Å; L185-Q190 HydrophobicContact CB-CG 4.09Å; L185-Q190 PolarHBondContact O-NE2 2.9Å; L185-L193 HydrophobicContact CD1-CD1 3.53Å; L185-F272 HydrophobicContact CD1-CE1 4.23Å; L185-E289 HydrophobicContact CD2-CG 4.45Å; L185-I290 HydrophobicContact CD1-CG1 4.37Å; L185-I290 HydrophobicContact CD2-CG1 4.48Å
186P95.2Very high94.3Very high51 Ų5150.4 Ų50.433%0.33126%0.261SS..  trans-53.4146169.9-24.834.5000112.1E188 D189 Q190 Q286P186-E188 PolarHBondContact O-N 2.92Å; P186-D189 HydrophobicContact CB-CB 4.34Å; P186-D189 WeakPolarHBondContact O-CB 3.41Å; P186-D189 PolarHBondContact O-N 3.34Å; P186-Q190 PolarHBondContact O-N 3.08Å; P186-Q286 HydrophobicContact CG-CG 3.91Å
187I93.2Very high94Very high100 Ų10050.4 Ų50.451%0.51326%0.261SS..Hα-helixtrans-60.1-36-177.2-168.660.9000112.6D189 Q190 I191I187-D189 VanDerWaalsContact C-N 3.32Å; I187-D189 PolarHBondContact O-N 3.28Å; I187-Q190 WeakPolarHBondContact O-CB 3.4Å; I187-Q190 PolarHBondContact O-N 3.49Å; I187-I191 HydrophobicContact CG1-CD1 4.16Å; I187-I191 VanDerWaalsContact O-CG1 3.28Å; I187-I191 WeakPolarHBondContact O-CG1 3.4Å; I187-I191 PolarHBondContact O-N 3.35Å
188E91Very high93.9Very high109 Ų10944.7 Ų44.751%0.50924%0.237SC..Hα-helixtrans-64.2-38.1176.3-59.3-55.4148.700112.1P186 S192P186-E188 PolarHBondContact O-N 2.92Å; E188-S192 VanDerWaalsContact O-CB 3.3Å; E188-S192 WeakPolarHBondContact O-CB 3.19Å; E188-S192 PolarHBondContact O-N 3.32Å; E188-S192 PolarHBondContact O-OG 3.18Å
189D91.8Very high93.6Very high0 Ų042.3 Ų42.30%022%0.224CC..Hα-helixtrans-69.3-43.6175.5-68.89.2000109.9L185 P186 I187 I191 S192 L193 G283 V284 T285 Q286 I290L185-D189 HydrophobicContact CB-CB 4.4Å; P186-D189 HydrophobicContact CB-CB 4.34Å; P186-D189 WeakPolarHBondContact O-CB 3.41Å; P186-D189 PolarHBondContact O-N 3.34Å; I187-D189 VanDerWaalsContact C-N 3.32Å; I187-D189 PolarHBondContact O-N 3.28Å; D189-I191 VanDerWaalsContact C-N 3.34Å; D189-I191 PolarHBondContact O-N 3.47Å; D189-S192 PolarHBondContact O-N 3.19Å; D189-L193 WeakPolarHBondContact O-CB 3.31Å; D189-L193 WeakPolarHBondContact O-CD1 3.13Å; D189-L193 WeakPolarHBondContact O-CG 3.23Å; D189-L193 PolarHBondContact O-N 3.43Å; D189-G283 VanDerWaalsContact OD1-O 3.13Å; D189-V284 WeakPolarHBondContact OD1-CA 3.38Å; D189-T285 VanDerWaalsContact CG-OG1 3.3Å; D189-T285 PolarHBondContact OD1-N 3Å; D189-T285 PolarHBondContact OD1-OG1 3.12Å; D189-T285 PolarHBondContact OD2-OG1 2.82Å; D189-T285 VanDerWaalsContact OD2-OG1 3.08Å; D189-Q286 VanDerWaalsContact OD2-CB 3.29Å; D189-Q286 WeakPolarHBondContact OD2-CB 3.36Å; D189-Q286 WeakPolarHBondContact OD2-CG 3.35Å; D189-Q286 PolarHBondContact OD2-N 3.32Å; D189-I290 HydrophobicContact CB-CD1 4.46Å
190Q94.1Very high93.5Very high21 Ų2142.8 Ų42.810%0.09823%0.226CC..Hα-helixtrans-57.2-46.1175.4-69.1-178.241.700111.8F182 R183 L185 P186 I187 L194F182-Q190 HydrophobicContact CD1-CG 4.13Å; F182-Q190 HydrophobicContact CE1-CB 3.78Å; F182-Q190 HydrophobicContact CE1-CG 3.69Å; F182-Q190 HydrophobicContact CE2-CB 4.2Å; F182-Q190 HydrophobicContact CE2-CG 4.23Å; F182-Q190 HydrophobicContact CZ-CB 3.5Å; F182-Q190 VanDerWaalsContact CZ-CB 3.5Å; F182-Q190 HydrophobicContact CZ-CG 3.75Å; F182-Q190 WeakPolarHBondContact CZ-O 3.38Å; F182-Q190 WeakPolarHBondContact O-CG 3.41Å; F182-Q190 PolarHBondContact O-NE2 3.22Å; R183-Q190 PolarHBondContact O-NE2 3.3Å; L185-Q190 HydrophobicContact CB-CG 4.09Å; L185-Q190 PolarHBondContact O-NE2 2.9Å; P186-Q190 PolarHBondContact O-N 3.08Å; I187-Q190 WeakPolarHBondContact O-CB 3.4Å; I187-Q190 PolarHBondContact O-N 3.49Å; Q190-L194 WeakPolarHBondContact O-CB 3.39Å; Q190-L194 WeakPolarHBondContact O-CG 3.48Å; Q190-L194 PolarHBondContact O-N 2.83Å
191I90.8Very high93.5Very high68 Ų6838.6 Ų38.635%0.34920%0.199SC..Hα-helixtrans-62.5-50177-68.2164.3000109.9I187 D189 L193 L194 K195I187-I191 HydrophobicContact CG1-CD1 4.16Å; I187-I191 VanDerWaalsContact O-CG1 3.28Å; I187-I191 WeakPolarHBondContact O-CG1 3.4Å; I187-I191 PolarHBondContact O-N 3.35Å; D189-I191 VanDerWaalsContact C-N 3.34Å; D189-I191 PolarHBondContact O-N 3.47Å; I191-L193 VanDerWaalsContact C-N 3.33Å; I191-L193 PolarHBondContact O-N 3.43Å; I191-L194 PolarHBondContact O-N 2.96Å; I191-K195 HydrophobicContact CG2-CD 4.42Å; I191-K195 HydrophobicContact CG2-CG 4.35Å; I191-K195 WeakPolarHBondContact O-CG 3.35Å; I191-K195 PolarHBondContact O-N 3.09Å
192S90.3Very high93.6Very high12 Ų1236.3 Ų36.38%0.08419%0.185CC..Hα-helixtrans-60.9-40.4-178.5-61.80000112.4E188 D189 G196 R281 G283E188-S192 VanDerWaalsContact O-CB 3.3Å; E188-S192 WeakPolarHBondContact O-CB 3.19Å; E188-S192 PolarHBondContact O-N 3.32Å; E188-S192 PolarHBondContact O-OG 3.18Å; D189-S192 PolarHBondContact O-N 3.19Å; S192-G196 PolarHBondContact O-N 2.61Å; S192-R281 WeakPolarHBondContact O-CD 3.29Å; S192-R281 PolarHBondContact O-NE 3.23Å; S192-R281 VanDerWaalsContact O-NE 3.11Å; S192-G283 WeakPolarHBondContact OG-CA 3.26Å
193L92.9Very high93.6Very high0 Ų036.9 Ų36.90%019%0.188CC..Hα-helixtrans-65.6-45.5176.1-69.9166.4000111.4F182 L185 D189 I191 G196 A197 L271 I290F182-L193 HydrophobicContact CD2-CD1 4.43Å; F182-L193 HydrophobicContact CE2-CB 4.11Å; F182-L193 HydrophobicContact CE2-CD1 4.14Å; L185-L193 HydrophobicContact CD1-CD1 3.53Å; D189-L193 WeakPolarHBondContact O-CB 3.31Å; D189-L193 WeakPolarHBondContact O-CD1 3.13Å; D189-L193 WeakPolarHBondContact O-CG 3.23Å; D189-L193 PolarHBondContact O-N 3.43Å; I191-L193 VanDerWaalsContact C-N 3.33Å; I191-L193 PolarHBondContact O-N 3.43Å; L193-G196 PolarHBondContact O-N 3.28Å; L193-A197 VanDerWaalsContact O-CB 3.24Å; L193-A197 WeakPolarHBondContact O-CB 3.4Å; L193-A197 PolarHBondContact O-N 3.05Å; L193-A197 VanDerWaalsContact O-N 3.14Å; L193-L271 HydrophobicContact CB-CD1 4.29Å; L193-L271 WeakPolarHBondContact CD2-O 3.34Å; L193-I290 HydrophobicContact CD1-CD1 4.04Å; L193-I290 HydrophobicContact CD1-CG1 4.31Å; L193-I290 HydrophobicContact CD2-CD1 4.21Å; L193-I290 HydrophobicContact CD2-CG2 3.92Å; L193-I290 HydrophobicContact CG-CD1 4.41Å
194L93.1Very high93.7Very high21 Ų2128 Ų2811%0.1115%0.154CC..Hα-helixtrans-62.1-45.8176.9-84.4166.6000112.2V172 I173 T176 F182 Q190 I191 G196 A197 A198V172-L194 HydrophobicContact CG1-CD2 4.41Å; I173-L194 HydrophobicContact CG1-CD1 4.21Å; I173-L194 HydrophobicContact CG1-CD2 3.99Å; T176-L194 HydrophobicContact CG2-CD2 3.78Å; F182-L194 HydrophobicContact CE1-CD1 4.35Å; F182-L194 HydrophobicContact CZ-CD1 3.87Å; F182-L194 HydrophobicContact CZ-CG 3.88Å; Q190-L194 WeakPolarHBondContact O-CB 3.39Å; Q190-L194 WeakPolarHBondContact O-CG 3.48Å; Q190-L194 PolarHBondContact O-N 2.83Å; I191-L194 PolarHBondContact O-N 2.96Å; L194-G196 VanDerWaalsContact C-N 3.31Å; L194-G196 PolarHBondContact O-N 2.8Å; L194-A197 PolarHBondContact O-N 3.42Å; L194-A198 WeakPolarHBondContact O-CB 2.73Å; L194-A198 PolarHBondContact O-N 3.01Å
195K88.6Confident93.7Very high60 Ų6024.2 Ų24.226%0.26113%0.128SC..Hα-helixtrans-52.8-48.7179-78.7-165.5163.1-145.50112I191 E354 I355 S357I191-K195 HydrophobicContact CG2-CD 4.42Å; I191-K195 HydrophobicContact CG2-CG 4.35Å; I191-K195 WeakPolarHBondContact O-CG 3.35Å; I191-K195 PolarHBondContact O-N 3.09Å; K195-E354 WeakPolarHBondContact CE-O 3.36Å; K195-E354 PolarHBondContact NZ-O 3.11Å; K195-I355 WeakPolarHBondContact O-CG2 3.35Å; K195-S357 PolarHBondContact NZ-O 2.71Å
196G87.2Confident93.8Very high16 Ų1624.9 Ų24.917%0.16513%0.132CC..Hα-helixtrans-924.7-176.800000115.7S192 L193 L194 R281S192-G196 PolarHBondContact O-N 2.61Å; L193-G196 PolarHBondContact O-N 3.28Å; L194-G196 VanDerWaalsContact C-N 3.31Å; L194-G196 PolarHBondContact O-N 2.8Å; G196-R281 PolarHBondContact O-NH2 2.73Å; G196-R281 VanDerWaalsContact O-NH2 3.16Å
197A92.8Very high94Very high0 Ų022.5 Ų22.50%012%0.116CC..Hα-helixtrans-128.4-18.4-179.500000114.4L193 L194 V199 E200 I201 A270 L271L193-A197 VanDerWaalsContact O-CB 3.24Å; L193-A197 WeakPolarHBondContact O-CB 3.4Å; L193-A197 PolarHBondContact O-N 3.05Å; L193-A197 VanDerWaalsContact O-N 3.14Å; L194-A197 PolarHBondContact O-N 3.42Å; A197-V199 PolarHBondContact O-N 3.24Å; A197-E200 WeakPolarHBondContact O-CB 3.16Å; A197-E200 PolarHBondContact O-N 3.1Å; A197-E200 VanDerWaalsContact O-N 3.16Å; A197-I201 HydrophobicContact CB-CD1 4.13Å; A197-I201 VanDerWaalsContact O-CG1 3.29Å; A197-I201 WeakPolarHBondContact O-CG1 3.42Å; A197-I201 PolarHBondContact O-N 2.89Å; A197-A270 WeakPolarHBondContact CB-O 3.43Å; A197-L271 HydrophobicContact CB-CD1 4.47Å
198A94.4Very high94.2Very high0 Ų020 Ų200%011%0.105CC..Hα-helixtrans-58.4-45.7-172.700000112.7V172 L194 I201 C202 I355V172-A198 HydrophobicContact CG1-CB 4.41Å; L194-A198 WeakPolarHBondContact O-CB 2.73Å; L194-A198 PolarHBondContact O-N 3.01Å; A198-I201 PolarHBondContact O-N 3.33Å; A198-C202 PolarHBondContact O-N 3.02Å; A198-C202 PolarHBondContact O-SG 3.25Å; A198-I355 HydrophobicContact CB-CD1 4.1Å; A198-I355 HydrophobicContact CB-CG2 4.16Å
199V92.8Very high94.5Very high5 Ų515.7 Ų15.73%0.039%0.086CC..Hα-helixtrans-65.6-42.4177.5175.30000111.5A197 I201 C202 H203 N332 Y335 L352 I355A197-V199 PolarHBondContact O-N 3.24Å; V199-I201 VanDerWaalsContact C-N 3.35Å; V199-I201 PolarHBondContact O-N 3.31Å; V199-C202 WeakPolarHBondContact O-CB 3.43Å; V199-C202 PolarHBondContact O-N 3.11Å; V199-H203 PolarHBondContact O-CD2 3.49Å; V199-H203 PolarHBondContact O-N 3.29Å; V199-N332 WeakPolarHBondContact CB-OD1 3.16Å; V199-Y335 HydrophobicContact CB-CD1 4.43Å; V199-Y335 HydrophobicContact CB-CE1 4.49Å; V199-Y335 HydrophobicContact CG1-CD1 3.54Å; V199-Y335 HydrophobicContact CG1-CE1 3.77Å; V199-Y335 HydrophobicContact CG1-CG 4.15Å; V199-Y335 HydrophobicContact CG2-CD1 4.04Å; V199-Y335 HydrophobicContact CG2-CE1 3.83Å; V199-L352 HydrophobicContact CG2-CD1 3.79Å; V199-I355 HydrophobicContact CG2-CG2 4.42Å
200E95.3Very high94.8Very high14 Ų1415.8 Ų15.87%0.0659%0.087CC..Hα-helixtrans-58.9-47.7176.8-59.5-169.5-172.500110.8A197 C202 H203 I204 A270 L328 N332A197-E200 WeakPolarHBondContact O-CB 3.16Å; A197-E200 PolarHBondContact O-N 3.1Å; A197-E200 VanDerWaalsContact O-N 3.16Å; E200-C202 PolarHBondContact O-N 2.96Å; E200-H203 PolarHBondContact O-N 3.09Å; E200-I204 WeakPolarHBondContact O-CG1 3.13Å; E200-I204 PolarHBondContact O-N 2.86Å; E200-A270 HydrophobicContact CB-CB 4.33Å; E200-L328 HydrophobicContact CB-CD2 3.67Å; E200-L328 HydrophobicContact CB-CG 3.96Å; E200-L328 HydrophobicContact CG-CD2 4.24Å; E200-L328 HydrophobicContact CG-CG 3.99Å; E200-N332 HydrophobicContact CG-CB 3.97Å; E200-N332 PolarHBondContact OE1-ND2 3.33Å
201I97.7Very high94.9Very high0 Ų015.9 Ų15.90%09%0.09CC..Hα-helixtrans-62.3-42.9177.2-64.5165.8000110.7M125 V172 A197 A198 V199 H203 I204 V205 A267 A270 L271M125-I201 HydrophobicContact CE-CG2 4.46Å; M125-I201 HydrophobicContact SD-CG2 4.26Å; V172-I201 HydrophobicContact CG1-CB 4.1Å; V172-I201 HydrophobicContact CG1-CD1 3.86Å; V172-I201 HydrophobicContact CG1-CG2 3.96Å; V172-I201 HydrophobicContact CG2-CB 4.23Å; V172-I201 HydrophobicContact CG2-CG2 3.73Å; A197-I201 HydrophobicContact CB-CD1 4.13Å; A197-I201 VanDerWaalsContact O-CG1 3.29Å; A197-I201 WeakPolarHBondContact O-CG1 3.42Å; A197-I201 PolarHBondContact O-N 2.89Å; A198-I201 PolarHBondContact O-N 3.33Å; V199-I201 VanDerWaalsContact C-N 3.35Å; V199-I201 PolarHBondContact O-N 3.31Å; I201-H203 VanDerWaalsContact C-N 3.28Å; I201-H203 PolarHBondContact O-N 3.45Å; I201-I204 PolarHBondContact O-N 3.2Å; I201-V205 HydrophobicContact CG2-CG2 4.22Å; I201-V205 WeakPolarHBondContact O-CG2 3.4Å; I201-V205 PolarHBondContact O-N 2.99Å; I201-A267 HydrophobicContact CG1-CB 4.24Å; I201-A267 HydrophobicContact CG2-CB 4.08Å; I201-A270 HydrophobicContact CG1-CB 4.35Å; I201-L271 HydrophobicContact CD1-CB 4.02Å; I201-L271 HydrophobicContact CD1-CD1 4.35Å
202C97.6Very high95.1Very high8 Ų815.1 Ų15.15%0.0549%0.086CC..Hα-helixtrans-55.7-43.4174.8-71.10000111.6M168 A198 V199 E200 L206M168-C202 HydrophobicContact CE-CB 4.46Å; M168-C202 HydrophobicContact SD-CB 4.41Å; A198-C202 PolarHBondContact O-N 3.02Å; A198-C202 PolarHBondContact O-SG 3.25Å; V199-C202 WeakPolarHBondContact O-CB 3.43Å; V199-C202 PolarHBondContact O-N 3.11Å; E200-C202 PolarHBondContact O-N 2.96Å; C202-L206 WeakPolarHBondContact O-CB 3.49Å; C202-L206 PolarHBondContact O-N 3.22Å
203H97.7Very high95.4Very high13 Ų1322.3 Ų22.36%0.0612%0.118CC..Hα-helixtrans-72.3-38178.1-74-48.3000113.7V199 E200 I201 V205 L206 N207 F249 H250 L328V199-H203 PolarHBondContact O-CD2 3.49Å; V199-H203 PolarHBondContact O-N 3.29Å; E200-H203 PolarHBondContact O-N 3.09Å; I201-H203 VanDerWaalsContact C-N 3.28Å; I201-H203 PolarHBondContact O-N 3.45Å; H203-V205 VanDerWaalsContact C-N 3.31Å; H203-V205 PolarHBondContact O-N 3.08Å; H203-L206 PolarHBondContact O-N 3.44Å; H203-N207 PolarHBondContact O-N 3.13Å; H203-N207 VanDerWaalsContact O-N 3.17Å; H203-F249 HydrophobicContact CB-CE1 4.44Å; H203-H250 AromaticContact ND1-NE2 3.62Å; H203-H250 PolarHBondContact O-CE1 3.02Å; H203-L328 HydrophobicContact CB-CD1 3.99Å
204I98.3Very high95.4Very high0 Ų025.8 Ų25.80%014%0.139CC..Hα-helixtrans-57.1-47.9173.5-70.8165.4000110.1E200 I201 N207 Y263 L266 A267 A270 L325 L328E200-I204 WeakPolarHBondContact O-CG1 3.13Å; E200-I204 PolarHBondContact O-N 2.86Å; I201-I204 PolarHBondContact O-N 3.2Å; I204-N207 WeakPolarHBondContact O-CB 3.4Å; I204-Y263 HydrophobicContact CG2-CD1 3.97Å; I204-Y263 WeakPolarHBondContact O-CD1 3.41Å; I204-Y263 WeakPolarHBondContact O-CE1 3.24Å; I204-L266 HydrophobicContact CD1-CD2 4.32Å; I204-L266 HydrophobicContact CD1-CG 4.1Å; I204-L266 HydrophobicContact CG1-CD2 4.19Å; I204-L266 HydrophobicContact CG2-CB 4.36Å; I204-L266 HydrophobicContact CG2-CD2 4.13Å; I204-A267 HydrophobicContact CG2-CB 4.35Å; I204-A270 HydrophobicContact CD1-CB 4.04Å; I204-L325 HydrophobicContact CD1-CD2 4.2Å; I204-L328 HydrophobicContact CD1-CD2 3.84Å; I204-L328 HydrophobicContact CG1-CD2 3.69Å
205V97.7Very high95.5Very high4 Ų428.9 Ų28.92%0.02415%0.153CC..Hα-helixtrans-75.9-38.5-176.7-177.60000111.4M125 M128 F129 I201 H203 N207 T208M125-V205 HydrophobicContact CB-CG1 4.38Å; M125-V205 HydrophobicContact CE-CG2 4.15Å; M125-V205 HydrophobicContact SD-CG2 4.21Å; M128-V205 HydrophobicContact SD-CG1 4.43Å; F129-V205 HydrophobicContact CE2-CG1 3.76Å; F129-V205 HydrophobicContact CZ-CB 4.38Å; F129-V205 HydrophobicContact CZ-CG1 3.82Å; I201-V205 HydrophobicContact CG2-CG2 4.22Å; I201-V205 WeakPolarHBondContact O-CG2 3.4Å; I201-V205 PolarHBondContact O-N 2.99Å; H203-V205 VanDerWaalsContact C-N 3.31Å; H203-V205 PolarHBondContact O-N 3.08Å; V205-N207 PolarHBondContact O-N 3.32Å; V205-T208 WeakPolarHBondContact O-CB 3.46Å; V205-T208 VanDerWaalsContact O-CG2 3.29Å; V205-T208 WeakPolarHBondContact O-CG2 3.25Å; V205-T208 PolarHBondContact O-N 2.95Å; V205-T208 VanDerWaalsContact O-N 3.1Å; V205-T208 PolarHBondContact O-OG1 3.4Å
206L98Very high95.8Very high21 Ų2126.9 Ų26.911%0.1115%0.146CC..Hα-helixtrans-59.3-29.9176.4-178.565.7000112.1F129 C202 H203 T208 T209 F217F129-L206 HydrophobicContact CD1-CD1 4.03Å; F129-L206 HydrophobicContact CE1-CB 4.23Å; F129-L206 HydrophobicContact CE1-CD1 3.59Å; F129-L206 VanDerWaalsContact CZ-CA 3.43Å; F129-L206 HydrophobicContact CZ-CB 4.12Å; F129-L206 HydrophobicContact CZ-CD1 4.17Å; C202-L206 WeakPolarHBondContact O-CB 3.49Å; C202-L206 PolarHBondContact O-N 3.22Å; H203-L206 PolarHBondContact O-N 3.44Å; L206-T208 PolarHBondContact O-N 3.43Å; L206-T208 VanDerWaalsContact O-N 3.08Å; L206-T209 WeakPolarHBondContact O-CB 3.23Å; L206-T209 PolarHBondContact O-N 3.43Å; L206-T209 PolarHBondContact O-OG1 3.17Å; L206-F217 HydrophobicContact CD1-CD1 4.04Å; L206-F217 HydrophobicContact CD2-CD1 4.08Å; L206-F217 HydrophobicContact CD2-CE1 3.84Å; L206-F217 HydrophobicContact CD2-CZ 4.18Å; L206-F217 HydrophobicContact CG-CD1 3.69Å; L206-F217 HydrophobicContact CG-CE1 3.7Å; L206-F217 HydrophobicContact CG-CG 4.5Å
207N98.3Very high96.2Very high0 Ų026.7 Ų26.70%014%0.14CC..G310 helixtrans-56.3-27.3177.3-168.5-105.1000113.8H203 I204 V205 T209 F210 H250 L253 R254 Y263H203-N207 PolarHBondContact O-N 3.13Å; H203-N207 VanDerWaalsContact O-N 3.17Å; I204-N207 WeakPolarHBondContact O-CB 3.4Å; V205-N207 PolarHBondContact O-N 3.32Å; N207-T209 PolarHBondContact O-N 3.34Å; N207-T209 VanDerWaalsContact O-N 3.11Å; N207-F210 WeakPolarHBondContact O-CB 3.49Å; N207-F210 PolarHBondContact O-N 3.22Å; N207-H250 VanDerWaalsContact ND2-CA 3.26Å; N207-H250 WeakPolarHBondContact ND2-CA 3.49Å; N207-H250 PolarHBondContact ND2-ND1 3.27Å; N207-H250 VanDerWaalsContact ND2-ND1 3.12Å; N207-H250 PolarHBondContact ND2-O 3.32Å; N207-L253 HydrophobicContact CB-CD2 3.7Å; N207-L253 HydrophobicContact CB-CG 4.31Å; N207-L253 WeakPolarHBondContact OD1-CG 3.09Å; N207-R254 WeakPolarHBondContact OD1-CA 3.3Å; N207-R254 PolarHBondContact OD1-N 2.72Å; N207-Y263 HydrophobicContact CB-CE1 4.14Å; N207-Y263 PolarHBondContact OD1-OH 3.3Å; N207-Y263 VanDerWaalsContact OD1-OH 3.09Å
208T97.1Very high96.4Very high48 Ų4829.9 Ų29.929%0.29416%0.157SC..G310 helixtrans-57.6-26.2176.162.60000112.8V205 L206 R254 Y263V205-T208 WeakPolarHBondContact O-CB 3.46Å; V205-T208 VanDerWaalsContact O-CG2 3.29Å; V205-T208 WeakPolarHBondContact O-CG2 3.25Å; V205-T208 PolarHBondContact O-N 2.95Å; V205-T208 VanDerWaalsContact O-N 3.1Å; V205-T208 PolarHBondContact O-OG1 3.4Å; L206-T208 PolarHBondContact O-N 3.43Å; L206-T208 VanDerWaalsContact O-N 3.08Å; T208-R254 PolarHBondContact O-NH1 3.12Å; T208-R254 PolarHBondContact O-NH2 2.89Å; T208-Y263 HydrophobicContact CG2-CD1 4.34Å; T208-Y263 HydrophobicContact CG2-CD2 4.1Å; T208-Y263 HydrophobicContact CG2-CE1 4.16Å; T208-Y263 HydrophobicContact CG2-CE2 3.88Å; T208-Y263 HydrophobicContact CG2-CG 4.33Å
209T97.3Very high96.5Very high18 Ų1830 Ų3011%0.1116%0.157CC..G310 helixtrans-93.2-5.8179.672.70000114F129 L206 N207 L218F129-T209 HydrophobicContact CB-CG2 4.08Å; F129-T209 HydrophobicContact CD1-CG2 4.33Å; F129-T209 HydrophobicContact CD2-CG2 3.44Å; F129-T209 VanDerWaalsContact CD2-CG2 3.44Å; F129-T209 HydrophobicContact CE2-CG2 3.92Å; F129-T209 HydrophobicContact CG-CG2 3.68Å; L206-T209 WeakPolarHBondContact O-CB 3.23Å; L206-T209 PolarHBondContact O-N 3.43Å; L206-T209 PolarHBondContact O-OG1 3.17Å; N207-T209 PolarHBondContact O-N 3.34Å; N207-T209 VanDerWaalsContact O-N 3.11Å; T209-L218 WeakPolarHBondContact CB-O 3.4Å; T209-L218 PolarHBondContact O-N 3.31Å
210F98.3Very high96.4Very high3 Ų331.6 Ų31.61%0.01318%0.175CC..EExtended strand (participates in β ladder)trans-75.3128.6-175.2-167.6-103.5000112N207 L212 Q215 F217 F247 H250 R254N207-F210 WeakPolarHBondContact O-CB 3.49Å; N207-F210 PolarHBondContact O-N 3.22Å; F210-L212 HydrophobicContact CD1-CD2 4.28Å; F210-L212 HydrophobicContact CE1-CD2 4.13Å; F210-Q215 HydrophobicContact CZ-CB 4.45Å; F210-F217 HydrophobicContact CB-CD1 4.17Å; F210-F217 HydrophobicContact CB-CE1 4.08Å; F210-F217 AromaticContact CD2-CD1 3.82Å; F210-F217 HydrophobicContact CD2-CD1 3.82Å; F210-F217 HydrophobicContact CD2-CD2 4.4Å; F210-F217 AromaticContact CD2-CE1 3.53Å; F210-F217 HydrophobicContact CD2-CE1 3.53Å; F210-F217 HydrophobicContact CD2-CE2 4.13Å; F210-F217 HydrophobicContact CD2-CG 4.25Å; F210-F217 AromaticContact CD2-CZ 3.69Å; F210-F217 HydrophobicContact CD2-CZ 3.69Å; F210-F217 HydrophobicContact CE2-CE1 4.42Å; F210-F217 HydrophobicContact CE2-CE2 4.32Å; F210-F217 HydrophobicContact CE2-CZ 4.15Å; F210-F217 HydrophobicContact CG-CE1 4.24Å; F210-F247 AromaticContact CE2-CD1 3.84Å; F210-F247 HydrophobicContact CE2-CD1 3.84Å; F210-F247 HydrophobicContact CE2-CE1 4.2Å; F210-F247 HydrophobicContact CZ-CD1 4.28Å; F210-H250 HydrophobicContact CD1-CB 4.25Å; F210-H250 HydrophobicContact CD2-CB 3.9Å; F210-H250 HydrophobicContact CE1-CB 4.43Å; F210-H250 HydrophobicContact CE2-CB 4.07Å; F210-H250 HydrophobicContact CG-CB 3.98Å; F210-H250 HydrophobicContact CZ-CB 4.33Å; F210-R254 HydrophobicContact CB-CG 4.44Å; F210-R254 HydrophobicContact CD1-CB 4.04Å; F210-R254 HydrophobicContact CD1-CG 4.26Å; F210-R254 PolarHBondContact O-NE 3.27Å
211C96.9Very high96.4Very high23 Ų2333.3 Ų33.316%0.15519%0.188CC..EExtended strand (participates in β ladder)trans-101.2111.8178.9-176.20000110.6Q213 T214 Q215 N216 L218C211-Q213 PolarHBondContact O-N 3.14Å; C211-Q213 PolarHBondContact SG-OE1 3.16Å; C211-T214 WeakPolarHBondContact CB-OG1 3.29Å; C211-T214 PolarHBondContact O-N 2.99Å; C211-T214 PolarHBondContact SG-OG1 3.24Å; C211-T214 VanDerWaalsContact SG-OG1 3.33Å; C211-Q215 VanDerWaalsContact O-CA 3.31Å; C211-Q215 WeakPolarHBondContact O-CA 3.22Å; C211-Q215 PolarHBondContact O-N 2.9Å; C211-N216 PolarHBondContact N-O 3.34Å; C211-L218 HydrophobicContact CB-CD1 3.87Å; C211-L218 HydrophobicContact CB-CG 4.2Å
212L96.1Very high96.2Very high52 Ų5233.3 Ų33.327%0.27219%0.188SC..THydrogen-bonded Turntrans-63.8-29.9-179-72.6173.6000113.1F210 Q215 R254 K255F210-L212 HydrophobicContact CD1-CD2 4.28Å; F210-L212 HydrophobicContact CE1-CD2 4.13Å; L212-Q215 PolarHBondContact O-NE2 3.09Å; L212-R254 HydrophobicContact CD1-CG 4.11Å; L212-R254 HydrophobicContact CD2-CB 4.02Å; L212-R254 HydrophobicContact CD2-CG 4.16Å; L212-R254 HydrophobicContact CG-CB 4.2Å; L212-R254 HydrophobicContact CG-CG 3.78Å; L212-K255 HydrophobicContact CD1-CG 3.93Å; L212-K255 HydrophobicContact CD2-CG 3.94Å
213Q94.7Very high96.1Very high163 Ų16336.5 Ų36.576%0.76220%0.199SC*.THydrogen-bonded Turntrans-72.4-42.7-176.4-64.879.1-3.200111.3C211C211-Q213 PolarHBondContact O-N 3.14Å; C211-Q213 PolarHBondContact SG-OE1 3.16Å
214T93.2Very high95.9Very high72 Ų7236.5 Ų36.544%0.44220%0.198SC..THydrogen-bonded Turntrans-101.9-9.1-175.959.20000113.4C211 N216C211-T214 WeakPolarHBondContact CB-OG1 3.29Å; C211-T214 PolarHBondContact O-N 2.99Å; C211-T214 PolarHBondContact SG-OG1 3.24Å; C211-T214 VanDerWaalsContact SG-OG1 3.33Å; T214-N216 VanDerWaalsContact O-CG 3.25Å; T214-N216 PolarHBondContact O-N 3.42Å; T214-N216 PolarHBondContact O-ND2 2.92Å; T214-N216 PolarHBondContact O-OD1 3.45Å; T214-N216 VanDerWaalsContact O-OD1 3.08Å
215Q94.9Very high95.6Very high86 Ų8637 Ų3740%0.40220%0.201SC..THydrogen-bonded Turntrans56.435.2-174.2-61.2-69.4-55.300112.9F210 C211 L212 F247F210-Q215 HydrophobicContact CZ-CB 4.45Å; C211-Q215 VanDerWaalsContact O-CA 3.31Å; C211-Q215 WeakPolarHBondContact O-CA 3.22Å; C211-Q215 PolarHBondContact O-N 2.9Å; L212-Q215 PolarHBondContact O-NE2 3.09Å; Q215-F247 WeakPolarHBondContact O-CD1 3.33Å; Q215-F247 VanDerWaalsContact O-CE1 3.23Å; Q215-F247 WeakPolarHBondContact O-CE1 3.47Å
216N94.9Very high95.3Very high18 Ų1839 Ų3910%0.09621%0.211CC..EExtended strand (participates in β ladder)trans-126.1159.3-176.7-59.3-23.6000110.9C211 T214 R223 Y224C211-N216 PolarHBondContact N-O 3.34Å; T214-N216 VanDerWaalsContact O-CG 3.25Å; T214-N216 PolarHBondContact O-N 3.42Å; T214-N216 PolarHBondContact O-ND2 2.92Å; T214-N216 PolarHBondContact O-OD1 3.45Å; T214-N216 VanDerWaalsContact O-OD1 3.08Å; N216-R223 HydrophobicContact CB-CG 4.08Å; N216-R223 PolarHBondContact ND2-NH1 3.32Å; N216-Y224 WeakPolarHBondContact CA-O 3.33Å; N216-Y224 WeakPolarHBondContact CB-O 3.45Å
217F97.3Very high94.8Very high13 Ų1342.4 Ų42.46%0.05723%0.227CC..EExtended strand (participates in β ladder)trans-89.8134.7168.2-60.9-84.2000110.5L206 F210 R223 Y224 F247 H250L206-F217 HydrophobicContact CD1-CD1 4.04Å; L206-F217 HydrophobicContact CD2-CD1 4.08Å; L206-F217 HydrophobicContact CD2-CE1 3.84Å; L206-F217 HydrophobicContact CD2-CZ 4.18Å; L206-F217 HydrophobicContact CG-CD1 3.69Å; L206-F217 HydrophobicContact CG-CE1 3.7Å; L206-F217 HydrophobicContact CG-CG 4.5Å; F210-F217 HydrophobicContact CB-CD1 4.17Å; F210-F217 HydrophobicContact CB-CE1 4.08Å; F210-F217 AromaticContact CD2-CD1 3.82Å; F210-F217 HydrophobicContact CD2-CD1 3.82Å; F210-F217 HydrophobicContact CD2-CD2 4.4Å; F210-F217 AromaticContact CD2-CE1 3.53Å; F210-F217 HydrophobicContact CD2-CE1 3.53Å; F210-F217 HydrophobicContact CD2-CE2 4.13Å; F210-F217 HydrophobicContact CD2-CG 4.25Å; F210-F217 AromaticContact CD2-CZ 3.69Å; F210-F217 HydrophobicContact CD2-CZ 3.69Å; F210-F217 HydrophobicContact CE2-CE1 4.42Å; F210-F217 HydrophobicContact CE2-CE2 4.32Å; F210-F217 HydrophobicContact CE2-CZ 4.15Å; F210-F217 HydrophobicContact CG-CE1 4.24Å; F217-R223 WeakPolarHBondContact O-CA 3.26Å; F217-Y224 HydrophobicContact CB-CD2 4.38Å; F217-Y224 PolarHBondContact N-O 2.92Å; F217-Y224 PolarHBondContact O-N 2.89Å; F217-F247 HydrophobicContact CD2-CE1 4.38Å; F217-F247 HydrophobicContact CD2-CZ 4.08Å; F217-F247 AromaticContact CE2-CE1 3.96Å; F217-F247 HydrophobicContact CE2-CE1 3.96Å; F217-F247 AromaticContact CE2-CE2 3.91Å; F217-F247 HydrophobicContact CE2-CE2 3.91Å; F217-F247 AromaticContact CE2-CZ 3.6Å; F217-F247 HydrophobicContact CE2-CZ 3.6Å; F217-H250 HydrophobicContact CE1-CB 4.39Å; F217-H250 AromaticContact CE1-CE1 3.75Å; F217-H250 AromaticContact CE1-CG 3.76Å; F217-H250 AromaticContact CE1-ND1 3.6Å; F217-H250 HydrophobicContact CZ-CB 4.2Å; F217-H250 AromaticContact CZ-CD2 3.5Å; F217-H250 VanDerWaalsContact CZ-CD2 3.5Å; F217-H250 WeakPolarHBondContact CZ-CD2 3.5Å; F217-H250 AromaticContact CZ-CE1 3.94Å; F217-H250 AromaticContact CZ-CG 3.6Å; F217-H250 AromaticContact CZ-ND1 3.91Å; F217-H250 AromaticContact CZ-NE2 3.73Å
218L96.1Very high94.2Very high67 Ų6743 Ų4335%0.35123%0.23SC..EExtended strand (participates in β ladder)trans-115.792.2179-59179.1000109.9I143 T209 C211 L222 R223I143-L218 HydrophobicContact CD1-CD2 4.47Å; T209-L218 WeakPolarHBondContact CB-O 3.4Å; T209-L218 PolarHBondContact O-N 3.31Å; C211-L218 HydrophobicContact CB-CD1 3.87Å; C211-L218 HydrophobicContact CB-CG 4.2Å; L218-L222 CarbonylContact C-O 3.48Å; L218-L222 WeakPolarHBondContact CA-O 3.38Å; L218-R223 HydrophobicContact CD2-CB 4.11Å; L218-R223 HydrophobicContact CD2-CG 3.93Å
219C96.4Very high93.7Very high1 Ų141.5 Ų41.51%0.00722%0.222CC..EExtended strand (participates in β ladder)trans-103.594.1-177.7-53.90000109.6F129 F132 L222 Y224F129-C219 HydrophobicContact CB-CB 3.93Å; F132-C219 HydrophobicContact CD2-CB 3.75Å; F132-C219 HydrophobicContact CE2-CB 4.28Å; F132-C219 HydrophobicContact CG-CB 4.39Å; C219-L222 PolarHBondContact N-O 2.99Å; C219-L222 WeakPolarHBondContact O-CB 3.24Å; C219-L222 PolarHBondContact O-N 3.22Å; C219-Y224 HydrophobicContact CB-CD2 4.48Å; C219-Y224 HydrophobicContact CB-CE2 3.89Å
220G91.9Very high93Very high39 Ų3942.1 Ų42.140%0.40223%0.229SC..THydrogen-bonded Turntrans59.6-128.6-170.700000110.9L222G220-L222 PolarHBondContact O-N 2.91Å
221P93.4Very high91.8Very high51 Ų5148.4 Ų48.433%0.33125%0.253SS..THydrogen-bonded Turntrans-82.25.7177.336.5-36.5000113.6V133 F142 I143V133-P221 HydrophobicContact CG1-CG 3.31Å; F142-P221 WeakPolarHBondContact CA-O 3.46Å; F142-P221 HydrophobicContact CD1-CB 4.35Å; F142-P221 HydrophobicContact CD1-CG 4.39Å; F142-P221 HydrophobicContact CE1-CG 4.35Å; I143-P221 WeakPolarHBondContact CG1-O 3.26Å; I143-P221 PolarHBondContact N-O 2.9Å
222L95.4Very high90.2Very high0 Ų047.5 Ų47.50%025%0.246CC..EExtended strand (participates in β ladder)trans-100.5141.8-177.8-54.3177.3000111.3F132 V133 P137 L141 F142 L218 C219 G220 Y224F132-L222 HydrophobicContact CB-CD1 3.72Å; V133-L222 HydrophobicContact CG1-CD1 4.16Å; V133-L222 HydrophobicContact CG1-CD2 4.43Å; V133-L222 HydrophobicContact CG1-CG 4.06Å; P137-L222 HydrophobicContact CB-CD1 3.91Å; P137-L222 HydrophobicContact CB-CD2 3.81Å; P137-L222 HydrophobicContact CG-CD1 4Å; P137-L222 HydrophobicContact CG-CD2 3.78Å; L141-L222 HydrophobicContact CB-CD2 4.22Å; L141-L222 CarbonylContact O-C 3.37Å; L141-L222 WeakPolarHBondContact O-CA 3.25Å; F142-L222 HydrophobicContact CD1-CD2 3.83Å; F142-L222 HydrophobicContact CD2-CD2 4.02Å; F142-L222 HydrophobicContact CE1-CD2 3.82Å; F142-L222 HydrophobicContact CE2-CD2 4.03Å; F142-L222 HydrophobicContact CG-CD2 3.94Å; F142-L222 HydrophobicContact CZ-CD2 3.93Å; L218-L222 CarbonylContact C-O 3.48Å; L218-L222 WeakPolarHBondContact CA-O 3.38Å; C219-L222 PolarHBondContact N-O 2.99Å; C219-L222 WeakPolarHBondContact O-CB 3.24Å; C219-L222 PolarHBondContact O-N 3.22Å; G220-L222 PolarHBondContact O-N 2.91Å; L222-Y224 HydrophobicContact CB-CE2 3.76Å; L222-Y224 HydrophobicContact CD1-CE2 4.45Å; L222-Y224 VanDerWaalsContact CD1-OH 3.23Å; L222-Y224 WeakPolarHBondContact CD1-OH 3.35Å
223R94.9Very high88.1Confident75 Ų7546.4 Ų46.428%0.28324%0.243SC..EExtended strand (participates in β ladder)trans-123.3121.1177.7-178.3179.670.990.26.4108.5L141 I143 N216 F217 L218L141-R223 PolarHBondContact O-N 3.16Å; I143-R223 HydrophobicContact CG1-CB 4.08Å; N216-R223 HydrophobicContact CB-CG 4.08Å; N216-R223 PolarHBondContact ND2-NH1 3.32Å; F217-R223 WeakPolarHBondContact O-CA 3.26Å; L218-R223 HydrophobicContact CD2-CB 4.11Å; L218-R223 HydrophobicContact CD2-CG 3.93Å
224Y93.4Very high85.8Confident13 Ų1344.8 Ų44.85%0.05125%0.246CC..EExtended strand (participates in β ladder)trans-111.7127.4175.5-55.2-92.8000109.8F132 L141 H160 F161 N216 F217 C219 L222F132-Y224 HydrophobicContact CD2-CE2 4.07Å; F132-Y224 WeakPolarHBondContact CD2-OH 3.48Å; L141-Y224 HydrophobicContact CD1-CD1 4.15Å; L141-Y224 HydrophobicContact CD1-CE1 3.64Å; L141-Y224 HydrophobicContact CD2-CD1 4.12Å; L141-Y224 HydrophobicContact CD2-CE1 4.44Å; H160-Y224 AromaticContact CD2-CE1 3.91Å; H160-Y224 AromaticContact NE2-CE1 3.57Å; H160-Y224 AromaticContact NE2-CZ 3.56Å; H160-Y224 PolarHBondContact NE2-OH 3.25Å; F161-Y224 HydrophobicContact CD1-CE1 4.38Å; F161-Y224 AromaticContact CE1-CD1 3.48Å; F161-Y224 HydrophobicContact CE1-CD1 3.48Å; F161-Y224 VanDerWaalsContact CE1-CD1 3.48Å; F161-Y224 AromaticContact CE1-CE1 3.7Å; F161-Y224 HydrophobicContact CE1-CE1 3.7Å; F161-Y224 AromaticContact CZ-CD1 3.96Å; F161-Y224 HydrophobicContact CZ-CD1 3.96Å; F161-Y224 HydrophobicContact CZ-CE1 4.44Å; N216-Y224 WeakPolarHBondContact CA-O 3.33Å; N216-Y224 WeakPolarHBondContact CB-O 3.45Å; F217-Y224 HydrophobicContact CB-CD2 4.38Å; F217-Y224 PolarHBondContact N-O 2.92Å; F217-Y224 PolarHBondContact O-N 2.89Å; C219-Y224 HydrophobicContact CB-CD2 4.48Å; C219-Y224 HydrophobicContact CB-CE2 3.89Å; L222-Y224 HydrophobicContact CB-CE2 3.76Å; L222-Y224 HydrophobicContact CD1-CE2 4.45Å; L222-Y224 VanDerWaalsContact CD1-OH 3.23Å; L222-Y224 WeakPolarHBondContact CD1-OH 3.35Å
225T92.1Very high83.9Confident11 Ų1145.9 Ų45.97%0.06726%0.263CS..  trans-105.3170.8175.280.60000111.6E227 D228 A229T225-E227 WeakPolarHBondContact CB-OE2 3.31Å; T225-E227 PolarHBondContact O-N 2.87Å; T225-E227 PolarHBondContact OG1-N 2.77Å; T225-E227 PolarHBondContact OG1-OE2 2.91Å; T225-D228 PolarHBondContact N-OD2 3.26Å; T225-D228 PolarHBondContact O-N 3.14Å; T225-D228 PolarHBondContact OG1-N 3.42Å; T225-D228 PolarHBondContact OG1-OD2 3.05Å; T225-A229 PolarHBondContact O-N 3.27Å
226I90.7Very high82.2Confident44 Ų4443.2 Ų43.223%0.22625%0.252CS..Hα-helixtrans-62.2-34.5172.3-166.5168.5000111.5D228 A229 A230 L243 E244 F247I226-D228 VanDerWaalsContact C-N 3.34Å; I226-D228 PolarHBondContact O-N 3.46Å; I226-A229 PolarHBondContact O-N 3.38Å; I226-A230 WeakPolarHBondContact O-CB 3.47Å; I226-A230 PolarHBondContact O-N 3.33Å; I226-L243 HydrophobicContact CD1-CB 3.95Å; I226-L243 HydrophobicContact CG1-CB 3.85Å; I226-L243 HydrophobicContact CG1-CD1 4.23Å; I226-E244 HydrophobicContact CD1-CG 4.38Å; I226-F247 HydrophobicContact CB-CD1 4.3Å; I226-F247 HydrophobicContact CB-CE1 3.92Å; I226-F247 HydrophobicContact CB-CE2 4.14Å; I226-F247 HydrophobicContact CB-CZ 3.83Å; I226-F247 HydrophobicContact CD1-CD2 4.34Å; I226-F247 HydrophobicContact CD1-CG 4.35Å; I226-F247 HydrophobicContact CG1-CD2 4.26Å; I226-F247 HydrophobicContact CG1-CE2 4.15Å; I226-F247 HydrophobicContact CG1-CZ 4.35Å
227E87.1Confident81Confident94 Ų9443.2 Ų43.244%0.43926%0.257SS..Hα-helixtrans-66.4-34.9177.6-61.277.9-169.100112.6T225 A229 A230 R231T225-E227 WeakPolarHBondContact CB-OE2 3.31Å; T225-E227 PolarHBondContact O-N 2.87Å; T225-E227 PolarHBondContact OG1-N 2.77Å; T225-E227 PolarHBondContact OG1-OE2 2.91Å; E227-A229 VanDerWaalsContact C-N 3.29Å; E227-A229 PolarHBondContact O-N 2.91Å; E227-A230 PolarHBondContact O-N 3.17Å; E227-R231 VanDerWaalsContact O-CB 3.23Å; E227-R231 WeakPolarHBondContact O-CB 3.23Å; E227-R231 VanDerWaalsContact O-CG 3.31Å; E227-R231 WeakPolarHBondContact O-CG 3.44Å; E227-R231 PolarHBondContact O-N 3.03Å
228D87.5Confident80.2Confident13 Ų1343.9 Ų43.97%0.0726%0.26CS..Hα-helixtrans-62.5-41176.2-60.5-39.2000110.4H140 L141 L157 F161 T225 I226H140-D228 IonicContact CD2-OD1 3.56Å; H140-D228 IonicContact NE2-OD1 3.36Å; L141-D228 HydrophobicContact CD2-CB 4.38Å; L157-D228 HydrophobicContact CD2-CB 4.37Å; L157-D228 WeakPolarHBondContact CD2-O 3.26Å; F161-D228 HydrophobicContact CZ-CB 4.19Å; T225-D228 PolarHBondContact N-OD2 3.26Å; T225-D228 PolarHBondContact O-N 3.14Å; T225-D228 PolarHBondContact OG1-N 3.42Å; T225-D228 PolarHBondContact OG1-OD2 3.05Å; I226-D228 VanDerWaalsContact C-N 3.34Å; I226-D228 PolarHBondContact O-N 3.46Å
229A85.5Confident79.8Confident15 Ų1545.1 Ų45.112%0.12426%0.264CS..Hα-helixtrans-72.6-35.8176.400000113T225 I226 E227 V232 L243T225-A229 PolarHBondContact O-N 3.27Å; I226-A229 PolarHBondContact O-N 3.38Å; E227-A229 VanDerWaalsContact C-N 3.29Å; E227-A229 PolarHBondContact O-N 2.91Å; A229-V232 VanDerWaalsContact O-CG2 3.3Å; A229-V232 WeakPolarHBondContact O-CG2 3.45Å; A229-L243 HydrophobicContact CB-CD1 3.93Å; A229-L243 HydrophobicContact CB-CD2 3.61Å; A229-L243 HydrophobicContact CB-CG 4.44Å
230A83.3Confident79.4Confident31 Ų3148.5 Ų48.526%0.25628%0.284SS..Hα-helixtrans-71.1-30.7177.100000112.4I226 E227 L243I226-A230 WeakPolarHBondContact O-CB 3.47Å; I226-A230 PolarHBondContact O-N 3.33Å; E227-A230 PolarHBondContact O-N 3.17Å; A230-L243 HydrophobicContact CB-CD1 3.74Å
231R72.5Confident79.3Confident136 Ų13653 Ų5351%0.51330%0.295SS..THydrogen-bonded Turntrans-89.35.8-177-74.5-175.8161.4132.6-0.2115.1V154 E227 S233V154-R231 WeakPolarHBondContact CG1-O 3.17Å; E227-R231 VanDerWaalsContact O-CB 3.23Å; E227-R231 WeakPolarHBondContact O-CB 3.23Å; E227-R231 VanDerWaalsContact O-CG 3.31Å; E227-R231 WeakPolarHBondContact O-CG 3.44Å; E227-R231 PolarHBondContact O-N 3.03Å; R231-S233 WeakPolarHBondContact O-CA 3.48Å; R231-S233 PolarHBondContact O-N 3.47Å
232V63.8Low79.2Confident4 Ų451.1 Ų51.12%0.02428%0.281CS..THydrogen-bonded Turntrans-51.6-21.1171.2176.50000111.2V154 V158 F161 A229V154-V232 VanDerWaalsContact CG1-C 3.44Å; V154-V232 WeakPolarHBondContact CG1-O 3.12Å; V158-V232 HydrophobicContact CB-CG1 4.13Å; V158-V232 HydrophobicContact CG1-CG1 3.9Å; V158-V232 HydrophobicContact CG2-CB 4.35Å; V158-V232 HydrophobicContact CG2-CG1 3.52Å; V158-V232 WeakPolarHBondContact CG2-O 2.85Å; F161-V232 HydrophobicContact CD2-CG2 3.57Å; F161-V232 HydrophobicContact CE2-CG2 3.6Å; A229-V232 VanDerWaalsContact O-CG2 3.3Å; A229-V232 WeakPolarHBondContact O-CG2 3.45Å
233S52.1Low79.1Confident28 Ų2851.2 Ų51.220%0.19628%0.282CS..  trans-170.5150148.9155.70000114R231 A235 V236 G237R231-S233 WeakPolarHBondContact O-CA 3.48Å; R231-S233 PolarHBondContact O-N 3.47Å; S233-A235 PolarHBondContact O-N 2.97Å; S233-A235 VanDerWaalsContact O-N 3.14Å; S233-A235 PolarHBondContact OG-N 3.46Å; S233-V236 VanDerWaalsContact CB-CB 3.46Å; S233-V236 PolarHBondContact O-N 3.31Å; S233-V236 VanDerWaalsContact O-N 3.17Å; S233-V236 VanDerWaalsContact OG-CB 3.26Å; S233-V236 WeakPolarHBondContact OG-CB 3.41Å; S233-V236 VanDerWaalsContact OG-CG2 3.24Å; S233-V236 WeakPolarHBondContact OG-CG2 3.09Å; S233-V236 PolarHBondContact OG-N 2.9Å; S233-V236 VanDerWaalsContact OG-N 3.13Å; S233-G237 PolarHBondContact O-N 3.24Å
234P45.2Very low79Confident129 Ų12953.4 Ų53.484%0.83830%0.295SS*.THydrogen-bonded Turntrans-66.1-9.4176.925.5-32.8000114.8
235A54.6Low79.1Confident96 Ų9656.5 Ų56.579%0.79331%0.312SS*.THydrogen-bonded Turntrans-126.7-1169.400000113S233S233-A235 PolarHBondContact O-N 2.97Å; S233-A235 VanDerWaalsContact O-N 3.14Å; S233-A235 PolarHBondContact OG-N 3.46Å
236V58.6Low79.2Confident29 Ų2956.7 Ų56.718%0.17631%0.313CS..THydrogen-bonded Turntrans-153.531.4-160.2-153.40000112.3S233 I342 Q343S233-V236 VanDerWaalsContact CB-CB 3.46Å; S233-V236 PolarHBondContact O-N 3.31Å; S233-V236 VanDerWaalsContact O-N 3.17Å; S233-V236 VanDerWaalsContact OG-CB 3.26Å; S233-V236 WeakPolarHBondContact OG-CB 3.41Å; S233-V236 VanDerWaalsContact OG-CG2 3.24Å; S233-V236 WeakPolarHBondContact OG-CG2 3.09Å; S233-V236 PolarHBondContact OG-N 2.9Å; S233-V236 VanDerWaalsContact OG-N 3.13Å; V236-I342 HydrophobicContact CG1-CB 4.25Å; V236-I342 HydrophobicContact CG1-CG2 3.86Å; V236-I342 WeakPolarHBondContact O-CG2 3.29Å; V236-Q343 HydrophobicContact CG1-CB 3.62Å; V236-Q343 HydrophobicContact CG2-CB 4.42Å
237G68.7Low79.5Confident18 Ų1855.4 Ų55.419%0.18631%0.306CS..SBendtrans-85.6172.117200000112.1S233 Q239S233-G237 PolarHBondContact O-N 3.24Å; G237-Q239 PolarHBondContact O-N 3.45Å
238F82.1Confident80Confident27 Ų2756.4 Ų56.412%0.11831%0.31CS..PPolyproline II helixtrans-60.4137.5164-74.7-83.9000109.3V240 F242 L243 Y335 Q338 I342 L345F238-V240 PolarHBondContact O-N 3.26Å; F238-F242 HydrophobicContact CB-CD1 4.2Å; F238-F242 AromaticContact CD1-CD1 3.69Å; F238-F242 HydrophobicContact CD1-CD1 3.69Å; F238-F242 AromaticContact CD1-CE1 3.52Å; F238-F242 HydrophobicContact CD1-CE1 3.52Å; F238-F242 AromaticContact CE1-CE1 3.96Å; F238-F242 HydrophobicContact CE1-CE1 3.96Å; F238-F242 HydrophobicContact CG-CD1 4.32Å; F238-F242 HydrophobicContact CG-CE1 4.33Å; F238-L243 HydrophobicContact CB-CD1 3.92Å; F238-L243 HydrophobicContact CB-CD2 3.69Å; F238-L243 HydrophobicContact CB-CG 3.73Å; F238-L243 HydrophobicContact CG-CD2 4.18Å; F238-Y335 AromaticContact CE1-CD2 3.97Å; F238-Y335 HydrophobicContact CE1-CD2 3.97Å; F238-Y335 AromaticContact CE1-CE2 3.96Å; F238-Y335 HydrophobicContact CE1-CE2 3.96Å; F238-Y335 HydrophobicContact CZ-CD2 4.45Å; F238-Y335 AromaticContact CZ-CE2 3.97Å; F238-Y335 HydrophobicContact CZ-CE2 3.97Å; F238-Q338 HydrophobicContact CD1-CB 3.62Å; F238-Q338 HydrophobicContact CD1-CG 3.88Å; F238-Q338 HydrophobicContact CE1-CB 3.72Å; F238-Q338 HydrophobicContact CE1-CG 4.38Å; F238-I342 HydrophobicContact CD1-CD1 3.86Å; F238-I342 HydrophobicContact CD2-CD1 4.09Å; F238-I342 HydrophobicContact CE1-CD1 3.91Å; F238-I342 HydrophobicContact CE2-CD1 4.13Å; F238-I342 HydrophobicContact CG-CD1 3.95Å; F238-I342 HydrophobicContact CZ-CD1 4.04Å; F238-L345 HydrophobicContact CE2-CD2 4.49Å; F238-L345 HydrophobicContact CZ-CD2 4.27Å
239Q87.2Confident80.5Confident93 Ų9356 Ų5644%0.43531%0.308SS..PPolyproline II helixtrans-57.7138.5175.8-72.5173.9-900110.7G237 E241 F242 L243 Q338G237-Q239 PolarHBondContact O-N 3.45Å; Q239-E241 VanDerWaalsContact C-N 3.27Å; Q239-E241 PolarHBondContact O-N 3.07Å; Q239-F242 HydrophobicContact CB-CB 4.29Å; Q239-F242 WeakPolarHBondContact O-CB 3.43Å; Q239-F242 PolarHBondContact O-N 2.99Å; Q239-F242 VanDerWaalsContact O-N 3.15Å; Q239-L243 WeakPolarHBondContact O-CG 3.29Å; Q239-L243 PolarHBondContact O-N 2.9Å; Q239-Q338 VanDerWaalsContact CD-NE2 3.31Å
240V87.4Confident81.1Confident72 Ų7255.2 Ų55.244%0.43630%0.302SS..Hα-helixtrans-61.7-40.1-175.8176.90000110.4F238 F242 L243 E244F238-V240 PolarHBondContact O-N 3.26Å; V240-F242 VanDerWaalsContact C-N 3.3Å; V240-F242 PolarHBondContact O-N 3.48Å; V240-L243 PolarHBondContact O-N 3.05Å; V240-L243 VanDerWaalsContact O-N 3.13Å; V240-E244 HydrophobicContact CG1-CG 4.28Å; V240-E244 WeakPolarHBondContact O-CG 3.36Å; V240-E244 PolarHBondContact O-N 3.05Å
241E89.9Confident81.8Confident134 Ų13453.9 Ų53.963%0.62629%0.291SS*.Hα-helixtrans-61.8-39.4178.7-59.575.9-167.400111.6Q239 L245Q239-E241 VanDerWaalsContact C-N 3.27Å; Q239-E241 PolarHBondContact O-N 3.07Å; E241-L245 WeakPolarHBondContact O-CB 3.35Å; E241-L245 PolarHBondContact O-N 3.1Å; E241-L245 VanDerWaalsContact O-N 3.1Å
242F91.6Very high83Confident11 Ų1149.3 Ų49.35%0.04828%0.278CS..Hα-helixtrans-66-44.1174.1167.3-103.4000111.4F238 Q239 V240 L245 L246 I331 A334 Y335 Q338F238-F242 HydrophobicContact CB-CD1 4.2Å; F238-F242 AromaticContact CD1-CD1 3.69Å; F238-F242 HydrophobicContact CD1-CD1 3.69Å; F238-F242 AromaticContact CD1-CE1 3.52Å; F238-F242 HydrophobicContact CD1-CE1 3.52Å; F238-F242 AromaticContact CE1-CE1 3.96Å; F238-F242 HydrophobicContact CE1-CE1 3.96Å; F238-F242 HydrophobicContact CG-CD1 4.32Å; F238-F242 HydrophobicContact CG-CE1 4.33Å; Q239-F242 HydrophobicContact CB-CB 4.29Å; Q239-F242 WeakPolarHBondContact O-CB 3.43Å; Q239-F242 PolarHBondContact O-N 2.99Å; Q239-F242 VanDerWaalsContact O-N 3.15Å; V240-F242 VanDerWaalsContact C-N 3.3Å; V240-F242 PolarHBondContact O-N 3.48Å; F242-L245 WeakPolarHBondContact O-CB 3.38Å; F242-L245 PolarHBondContact O-N 3.47Å; F242-L246 HydrophobicContact CE1-CD2 4.31Å; F242-L246 HydrophobicContact CZ-CD2 4.32Å; F242-L246 WeakPolarHBondContact O-CB 3.38Å; F242-L246 PolarHBondContact O-N 2.93Å; F242-I331 HydrophobicContact CE2-CG2 4.2Å; F242-A334 HydrophobicContact CD2-CB 3.58Å; F242-A334 HydrophobicContact CE2-CB 3.81Å; F242-Y335 HydrophobicContact CE1-CD2 4.27Å; F242-Y335 AromaticContact CZ-CD2 3.83Å; F242-Y335 HydrophobicContact CZ-CD2 3.83Å; F242-Y335 HydrophobicContact CZ-CG 4.35Å; F242-Q338 HydrophobicContact CB-CG 4.4Å; F242-Q338 HydrophobicContact CD1-CG 3.89Å; F242-Q338 HydrophobicContact CD2-CG 4.41Å; F242-Q338 HydrophobicContact CE1-CG 4.3Å; F242-Q338 HydrophobicContact CG-CG 3.95Å
243L92.3Very high84.6Confident3 Ų349.2 Ų49.22%0.01628%0.277CS..Hα-helixtrans-65.1-39.4178.7-67.9175.6000112.2I226 A229 A230 F238 Q239 V240 L246 F247I226-L243 HydrophobicContact CD1-CB 3.95Å; I226-L243 HydrophobicContact CG1-CB 3.85Å; I226-L243 HydrophobicContact CG1-CD1 4.23Å; A229-L243 HydrophobicContact CB-CD1 3.93Å; A229-L243 HydrophobicContact CB-CD2 3.61Å; A229-L243 HydrophobicContact CB-CG 4.44Å; A230-L243 HydrophobicContact CB-CD1 3.74Å; F238-L243 HydrophobicContact CB-CD1 3.92Å; F238-L243 HydrophobicContact CB-CD2 3.69Å; F238-L243 HydrophobicContact CB-CG 3.73Å; F238-L243 HydrophobicContact CG-CD2 4.18Å; Q239-L243 WeakPolarHBondContact O-CG 3.29Å; Q239-L243 PolarHBondContact O-N 2.9Å; V240-L243 PolarHBondContact O-N 3.05Å; V240-L243 VanDerWaalsContact O-N 3.13Å; L243-L246 PolarHBondContact O-N 3.5Å; L243-F247 WeakPolarHBondContact O-CB 3.24Å; L243-F247 VanDerWaalsContact O-CD2 3.26Å; L243-F247 WeakPolarHBondContact O-CD2 3.48Å; L243-F247 PolarHBondContact O-N 3.34Å
244E93.3Very high86.7Confident120 Ų12051.8 Ų51.856%0.56128%0.283SS*.Hα-helixtrans-61.8-44.4174.4-74.5-178.6168.300111.5I226 V240 H248I226-E244 HydrophobicContact CD1-CG 4.38Å; V240-E244 HydrophobicContact CG1-CG 4.28Å; V240-E244 WeakPolarHBondContact O-CG 3.36Å; V240-E244 PolarHBondContact O-N 3.05Å; E244-H248 WeakPolarHBondContact O-CB 3.42Å; E244-H248 PolarHBondContact O-N 3.29Å
245L94.8Very high89.1Confident78 Ų7852.1 Ų52.141%0.40827%0.271SS..Hα-helixtrans-59-47.1173.9177.966000111.3E241 F242 H248 F249 I331E241-L245 WeakPolarHBondContact O-CB 3.35Å; E241-L245 PolarHBondContact O-N 3.1Å; E241-L245 VanDerWaalsContact O-N 3.1Å; F242-L245 WeakPolarHBondContact O-CB 3.38Å; F242-L245 PolarHBondContact O-N 3.47Å; L245-H248 WeakPolarHBondContact O-CB 3.39Å; L245-H248 PolarHBondContact O-N 2.67Å; L245-F249 PolarHBondContact O-N 3.27Å; L245-I331 HydrophobicContact CD2-CG1 3.95Å; L245-I331 HydrophobicContact CG-CD1 4.39Å; L245-I331 HydrophobicContact CG-CG1 3.96Å
246L95.8Very high90.9Very high16 Ų1648.7 Ų48.78%0.08424%0.239CC..Hα-helixtrans-62.6-49.6179.7178.863.2000111.7F242 L243 H248 F249 H250 I331F242-L246 HydrophobicContact CE1-CD2 4.31Å; F242-L246 HydrophobicContact CZ-CD2 4.32Å; F242-L246 WeakPolarHBondContact O-CB 3.38Å; F242-L246 PolarHBondContact O-N 2.93Å; L243-L246 PolarHBondContact O-N 3.5Å; L246-H248 VanDerWaalsContact C-N 3.3Å; L246-H248 PolarHBondContact O-N 3.17Å; L246-F249 WeakPolarHBondContact O-CB 3.37Å; L246-F249 PolarHBondContact O-N 3.1Å; L246-H250 PolarHBondContact O-CD2 3.47Å; L246-H250 PolarHBondContact O-N 3Å; L246-I331 HydrophobicContact CD1-CG2 3.75Å
247F96.4Very high92.6Very high17 Ų1753.5 Ų53.58%0.07526%0.26CS..Hα-helixtrans-67-33.2179.3-85.2-116.5000111.7F210 Q215 F217 I226 L243 H250 G251F210-F247 AromaticContact CE2-CD1 3.84Å; F210-F247 HydrophobicContact CE2-CD1 3.84Å; F210-F247 HydrophobicContact CE2-CE1 4.2Å; F210-F247 HydrophobicContact CZ-CD1 4.28Å; Q215-F247 WeakPolarHBondContact O-CD1 3.33Å; Q215-F247 VanDerWaalsContact O-CE1 3.23Å; Q215-F247 WeakPolarHBondContact O-CE1 3.47Å; F217-F247 HydrophobicContact CD2-CE1 4.38Å; F217-F247 HydrophobicContact CD2-CZ 4.08Å; F217-F247 AromaticContact CE2-CE1 3.96Å; F217-F247 HydrophobicContact CE2-CE1 3.96Å; F217-F247 AromaticContact CE2-CE2 3.91Å; F217-F247 HydrophobicContact CE2-CE2 3.91Å; F217-F247 AromaticContact CE2-CZ 3.6Å; F217-F247 HydrophobicContact CE2-CZ 3.6Å; I226-F247 HydrophobicContact CB-CD1 4.3Å; I226-F247 HydrophobicContact CB-CE1 3.92Å; I226-F247 HydrophobicContact CB-CE2 4.14Å; I226-F247 HydrophobicContact CB-CZ 3.83Å; I226-F247 HydrophobicContact CD1-CD2 4.34Å; I226-F247 HydrophobicContact CD1-CG 4.35Å; I226-F247 HydrophobicContact CG1-CD2 4.26Å; I226-F247 HydrophobicContact CG1-CE2 4.15Å; I226-F247 HydrophobicContact CG1-CZ 4.35Å; L243-F247 WeakPolarHBondContact O-CB 3.24Å; L243-F247 VanDerWaalsContact O-CD2 3.26Å; L243-F247 WeakPolarHBondContact O-CD2 3.48Å; L243-F247 PolarHBondContact O-N 3.34Å; F247-H250 PolarHBondContact O-N 3.15Å; F247-G251 PolarHBondContact O-N 3.19Å
248H96.7Very high93.8Very high115 Ų11553.3 Ų53.353%0.53226%0.255SS..Hα-helixtrans-60.5-48.3171.8-177.582.4000111.6E244 L245 L246 H250 G251 T252E244-H248 WeakPolarHBondContact O-CB 3.42Å; E244-H248 PolarHBondContact O-N 3.29Å; L245-H248 WeakPolarHBondContact O-CB 3.39Å; L245-H248 PolarHBondContact O-N 2.67Å; L246-H248 VanDerWaalsContact C-N 3.3Å; L246-H248 PolarHBondContact O-N 3.17Å; H248-H250 VanDerWaalsContact C-N 3.33Å; H248-H250 PolarHBondContact O-N 3.09Å; H248-G251 PolarHBondContact O-N 3.5Å; H248-T252 PolarHBondContact NE2-OG1 2.67Å; H248-T252 WeakPolarHBondContact O-CB 3.29Å; H248-T252 PolarHBondContact O-N 2.84Å; H248-T252 PolarHBondContact O-OG1 3.49Å
249F98Very high94.4Very high3 Ų355 Ų551%0.01326%0.263CS..Hα-helixtrans-55-49.1174.8165.2-92.1000111.3H203 L245 L246 G251 T252 L253 L324 L328 I331H203-F249 HydrophobicContact CB-CE1 4.44Å; L245-F249 PolarHBondContact O-N 3.27Å; L246-F249 WeakPolarHBondContact O-CB 3.37Å; L246-F249 PolarHBondContact O-N 3.1Å; F249-G251 PolarHBondContact O-N 3.44Å; F249-T252 PolarHBondContact O-N 2.96Å; F249-L253 HydrophobicContact CE1-CD2 4.09Å; F249-L253 HydrophobicContact CZ-CD2 3.9Å; F249-L253 WeakPolarHBondContact O-CB 3.47Å; F249-L253 PolarHBondContact O-N 2.96Å; F249-L324 HydrophobicContact CD2-CD2 3.77Å; F249-L324 HydrophobicContact CE2-CB 4.08Å; F249-L324 HydrophobicContact CE2-CD2 3.99Å; F249-L328 HydrophobicContact CE1-CD1 3.97Å; F249-L328 HydrophobicContact CE2-CB 3.96Å; F249-L328 HydrophobicContact CE2-CD1 4.19Å; F249-L328 HydrophobicContact CE2-CG 4.46Å; F249-L328 HydrophobicContact CZ-CB 4.23Å; F249-L328 HydrophobicContact CZ-CD1 3.79Å; F249-L328 HydrophobicContact CZ-CD2 4.04Å; F249-L328 HydrophobicContact CZ-CG 4.25Å; F249-I331 HydrophobicContact CB-CD1 3.41Å; F249-I331 VanDerWaalsContact CB-CD1 3.41Å; F249-I331 HydrophobicContact CD1-CD1 4.26Å; F249-I331 HydrophobicContact CD2-CD1 4.02Å; F249-I331 HydrophobicContact CG-CD1 3.64Å
250H98.5Very high94.8Very high0 Ų054.7 Ų54.70%026%0.261CS..Hα-helixtrans-62.3-42.1178.9-80.4-75.3000112.6H203 N207 F210 F217 L246 F247 H248 T252 R254H203-H250 AromaticContact ND1-NE2 3.62Å; H203-H250 PolarHBondContact O-CE1 3.02Å; N207-H250 VanDerWaalsContact ND2-CA 3.26Å; N207-H250 WeakPolarHBondContact ND2-CA 3.49Å; N207-H250 PolarHBondContact ND2-ND1 3.27Å; N207-H250 VanDerWaalsContact ND2-ND1 3.12Å; N207-H250 PolarHBondContact ND2-O 3.32Å; F210-H250 HydrophobicContact CD1-CB 4.25Å; F210-H250 HydrophobicContact CD2-CB 3.9Å; F210-H250 HydrophobicContact CE1-CB 4.43Å; F210-H250 HydrophobicContact CE2-CB 4.07Å; F210-H250 HydrophobicContact CG-CB 3.98Å; F210-H250 HydrophobicContact CZ-CB 4.33Å; F217-H250 HydrophobicContact CE1-CB 4.39Å; F217-H250 AromaticContact CE1-CE1 3.75Å; F217-H250 AromaticContact CE1-CG 3.76Å; F217-H250 AromaticContact CE1-ND1 3.6Å; F217-H250 HydrophobicContact CZ-CB 4.2Å; F217-H250 AromaticContact CZ-CD2 3.5Å; F217-H250 VanDerWaalsContact CZ-CD2 3.5Å; F217-H250 WeakPolarHBondContact CZ-CD2 3.5Å; F217-H250 AromaticContact CZ-CE1 3.94Å; F217-H250 AromaticContact CZ-CG 3.6Å; F217-H250 AromaticContact CZ-ND1 3.91Å; F217-H250 AromaticContact CZ-NE2 3.73Å; L246-H250 PolarHBondContact O-CD2 3.47Å; L246-H250 PolarHBondContact O-N 3Å; F247-H250 PolarHBondContact O-N 3.15Å; H248-H250 VanDerWaalsContact C-N 3.33Å; H248-H250 PolarHBondContact O-N 3.09Å; H250-T252 VanDerWaalsContact C-N 3.34Å; H250-T252 PolarHBondContact O-N 3.08Å; H250-R254 WeakPolarHBondContact O-CB 3.16Å; H250-R254 PolarHBondContact O-N 2.94Å
251G98Very high95.2Very high3 Ų352 Ų523%0.03125%0.245CC..Hα-helixtrans-62.4-39.7174.900000112.7F247 H248 F249 K255F247-G251 PolarHBondContact O-N 3.19Å; H248-G251 PolarHBondContact O-N 3.5Å; F249-G251 PolarHBondContact O-N 3.44Å; G251-K255 VanDerWaalsContact O-CD 3.32Å; G251-K255 WeakPolarHBondContact O-CD 3.48Å; G251-K255 WeakPolarHBondContact O-CG 3.34Å; G251-K255 PolarHBondContact O-N 2.69Å
252T97.4Very high95.5Very high40 Ų4045.6 Ų45.625%0.24522%0.215CC..Hα-helixtrans-69.4-48.1178.1-64.70000111.4H248 F249 H250 R254 K255 L324H248-T252 PolarHBondContact NE2-OG1 2.67Å; H248-T252 WeakPolarHBondContact O-CB 3.29Å; H248-T252 PolarHBondContact O-N 2.84Å; H248-T252 PolarHBondContact O-OG1 3.49Å; F249-T252 PolarHBondContact O-N 2.96Å; H250-T252 VanDerWaalsContact C-N 3.34Å; H250-T252 PolarHBondContact O-N 3.08Å; T252-R254 PolarHBondContact O-N 2.83Å; T252-K255 PolarHBondContact O-N 3.06Å; T252-L324 HydrophobicContact CG2-CD1 4.32Å; T252-L324 HydrophobicContact CG2-CD2 3.83Å; T252-L324 HydrophobicContact CG2-CG 4.49Å
253L97.6Very high95.8Very high1 Ų145.5 Ų45.51%0.00522%0.215CC..Hα-helixtrans-61.4-44.8177.4-177.259.2000111.5N207 F249 K255 L256 L258 Y263 L266 L321 L324N207-L253 HydrophobicContact CB-CD2 3.7Å; N207-L253 HydrophobicContact CB-CG 4.31Å; N207-L253 WeakPolarHBondContact OD1-CG 3.09Å; F249-L253 HydrophobicContact CE1-CD2 4.09Å; F249-L253 HydrophobicContact CZ-CD2 3.9Å; F249-L253 WeakPolarHBondContact O-CB 3.47Å; F249-L253 PolarHBondContact O-N 2.96Å; L253-K255 VanDerWaalsContact C-N 3.31Å; L253-K255 PolarHBondContact O-N 2.76Å; L253-L256 HydrophobicContact CD1-CD1 4.42Å; L253-L256 VanDerWaalsContact O-CB 3.26Å; L253-L256 WeakPolarHBondContact O-CB 3.43Å; L253-L256 PolarHBondContact O-N 3.08Å; L253-L258 HydrophobicContact CD1-CD1 3.58Å; L253-L258 HydrophobicContact CD1-CG 4.31Å; L253-Y263 HydrophobicContact CD2-CE1 4.38Å; L253-L266 HydrophobicContact CD1-CD2 4.26Å; L253-L321 HydrophobicContact CD1-CD2 4.04Å; L253-L324 HydrophobicContact CB-CD1 4.15Å; L253-L324 HydrophobicContact CD1-CD1 3.87Å
254R96.9Very high96.1Very high82 Ų8245.4 Ų45.431%0.30921%0.214SC..Hα-helixtrans-65.5-33-178.1-171.162169.5171.82112.9N207 T208 F210 L212 H250 T252 L256 Q257N207-R254 WeakPolarHBondContact OD1-CA 3.3Å; N207-R254 PolarHBondContact OD1-N 2.72Å; T208-R254 PolarHBondContact O-NH1 3.12Å; T208-R254 PolarHBondContact O-NH2 2.89Å; F210-R254 HydrophobicContact CB-CG 4.44Å; F210-R254 HydrophobicContact CD1-CB 4.04Å; F210-R254 HydrophobicContact CD1-CG 4.26Å; F210-R254 PolarHBondContact O-NE 3.27Å; L212-R254 HydrophobicContact CD1-CG 4.11Å; L212-R254 HydrophobicContact CD2-CB 4.02Å; L212-R254 HydrophobicContact CD2-CG 4.16Å; L212-R254 HydrophobicContact CG-CB 4.2Å; L212-R254 HydrophobicContact CG-CG 3.78Å; H250-R254 WeakPolarHBondContact O-CB 3.16Å; H250-R254 PolarHBondContact O-N 2.94Å; T252-R254 PolarHBondContact O-N 2.83Å; R254-L256 PolarHBondContact O-N 3.12Å; R254-Q257 PolarHBondContact O-N 2.93Å; R254-Q257 VanDerWaalsContact O-N 3.1Å
255K95.2Very high96.4Very high136 Ų13639.7 Ų39.759%0.59119%0.188SC*.Hα-helixtrans-63.2-20.4173.9-76.6165.2-168.9166.80113L212 G251 T252 L253 Q257L212-K255 HydrophobicContact CD1-CG 3.93Å; L212-K255 HydrophobicContact CD2-CG 3.94Å; G251-K255 VanDerWaalsContact O-CD 3.32Å; G251-K255 WeakPolarHBondContact O-CD 3.48Å; G251-K255 WeakPolarHBondContact O-CG 3.34Å; G251-K255 PolarHBondContact O-N 2.69Å; T252-K255 PolarHBondContact O-N 3.06Å; L253-K255 VanDerWaalsContact C-N 3.31Å; L253-K255 PolarHBondContact O-N 2.76Å; K255-Q257 VanDerWaalsContact C-N 3.27Å
256L93.6Very high96.5Very high25 Ų2536.1 Ų36.113%0.13117%0.169CC..THydrogen-bonded Turntrans-77-13.3176-55.6-178.9000113L253 R254 L258 L317 K320 L321 L324L253-L256 HydrophobicContact CD1-CD1 4.42Å; L253-L256 VanDerWaalsContact O-CB 3.26Å; L253-L256 WeakPolarHBondContact O-CB 3.43Å; L253-L256 PolarHBondContact O-N 3.08Å; R254-L256 PolarHBondContact O-N 3.12Å; L256-L258 HydrophobicContact CB-CD2 3.74Å; L256-L258 HydrophobicContact CB-CG 4.29Å; L256-L258 PolarHBondContact O-N 3.02Å; L256-L317 HydrophobicContact CB-CD1 3.85Å; L256-L317 HydrophobicContact CD1-CD1 4.02Å; L256-L317 HydrophobicContact CD2-CD1 4.2Å; L256-L317 HydrophobicContact CG-CD1 4.23Å; L256-K320 HydrophobicContact CD1-CB 4.25Å; L256-K320 HydrophobicContact CD2-CD 3.78Å; L256-L321 HydrophobicContact CD1-CD2 3.7Å; L256-L321 HydrophobicContact CD1-CG 4.48Å; L256-L324 HydrophobicContact CD1-CD1 3.55Å
257Q92.8Very high96.6Very high129 Ų12935.4 Ų35.460%0.60317%0.165SC*.  trans53.949.2175.6-58.3-176.6-6.300113R254 K255 R311R254-Q257 PolarHBondContact O-N 2.93Å; R254-Q257 VanDerWaalsContact O-N 3.1Å; K255-Q257 VanDerWaalsContact C-N 3.27Å; Q257-R311 PolarHBondContact O-NH2 2.95Å
258L94.3Very high96.7Very high15 Ų1534.6 Ų34.68%0.07916%0.162CC..  trans-62.6144.5-176.9-55.7-169.6000112.5L253 L256 E262 Y263 L266 L317 L321L253-L258 HydrophobicContact CD1-CD1 3.58Å; L253-L258 HydrophobicContact CD1-CG 4.31Å; L256-L258 HydrophobicContact CB-CD2 3.74Å; L256-L258 HydrophobicContact CB-CG 4.29Å; L256-L258 PolarHBondContact O-N 3.02Å; L258-E262 WeakPolarHBondContact CA-OE2 3.41Å; L258-E262 HydrophobicContact CB-CB 4.09Å; L258-E262 HydrophobicContact CD1-CB 4.46Å; L258-E262 HydrophobicContact CD2-CB 4.4Å; L258-Y263 HydrophobicContact CB-CD2 3.79Å; L258-Y263 HydrophobicContact CB-CE1 4.33Å; L258-Y263 HydrophobicContact CB-CE2 3.48Å; L258-Y263 VanDerWaalsContact CB-CE2 3.48Å; L258-Y263 HydrophobicContact CB-CG 4.35Å; L258-Y263 HydrophobicContact CD1-CD1 4.21Å; L258-Y263 HydrophobicContact CD1-CE1 4.09Å; L258-Y263 WeakPolarHBondContact O-CE2 3.45Å; L258-L266 HydrophobicContact CD1-CD2 4.48Å; L258-L317 HydrophobicContact CD2-CD1 3.85Å; L258-L317 HydrophobicContact CD2-CD2 4.48Å; L258-L321 HydrophobicContact CD1-CD2 3.71Å; L258-L321 HydrophobicContact CD2-CD1 4.29Å; L258-L321 HydrophobicContact CD2-CD2 3.93Å; L258-L321 HydrophobicContact CG-CD2 4.39Å
259Q93.8Very high96.7Very high61 Ų6129.5 Ų29.529%0.28514%0.138SC..  trans-83.1161.9167.7-61.6175.3-36.700109.7E262 Y263 Y304Q259-E262 HydrophobicContact CB-CG 4.45Å; Q259-E262 PolarHBondContact N-OE2 3.38Å; Q259-E262 WeakPolarHBondContact O-CB 3.35Å; Q259-E262 PolarHBondContact O-N 3.37Å; Q259-Y263 WeakPolarHBondContact O-CD2 3.22Å; Q259-Y263 PolarHBondContact O-N 3.41Å; Q259-Y263 VanDerWaalsContact O-N 3.09Å; Q259-Y304 PolarHBondContact OE1-OH 2.96Å; Q259-Y304 VanDerWaalsContact OE1-OH 3.05Å
260E95.8Very high96.6Very high88 Ų8829.5 Ų29.541%0.41114%0.139SC..Hα-helixtrans-55.5-42.9179.8-160.5177.5175.500113.4L118 H121 E262 Y263 V264L118-E260 HydrophobicContact CD2-CB 4.05Å; L118-E260 HydrophobicContact CD2-CG 3.67Å; H121-E260 IonicContact CE1-OE1 3.43Å; H121-E260 PolarHBondContact CE1-OE1 2.92Å; H121-E260 IonicContact ND1-OE1 3.41Å; H121-E260 PolarHBondContact ND1-OE1 3.01Å; E260-E262 VanDerWaalsContact C-N 3.25Å; E260-E262 PolarHBondContact O-N 2.78Å; E260-Y263 PolarHBondContact O-N 3.26Å; E260-Y263 VanDerWaalsContact O-N 3.15Å; E260-V264 PolarHBondContact O-N 2.93Å
261P96.7Very high96.5Very high15 Ų1529.5 Ų29.510%0.09714%0.139CC..Hα-helixtrans-59.7-35.8175.4-27.840.2000113.1I114 L118 V264 L265 Y304I114-P261 HydrophobicContact CG2-CB 4.04Å; I114-P261 HydrophobicContact CG2-CG 4.38Å; L118-P261 HydrophobicContact CD1-CG 4.16Å; L118-P261 HydrophobicContact CD2-CG 4.25Å; P261-V264 WeakPolarHBondContact O-CG2 3.5Å; P261-L265 VanDerWaalsContact O-CB 3.31Å; P261-L265 WeakPolarHBondContact O-CB 3.32Å; P261-L265 WeakPolarHBondContact O-CD1 3.25Å; P261-L265 VanDerWaalsContact O-CG 3.23Å; P261-L265 WeakPolarHBondContact O-CG 3.44Å; P261-L265 PolarHBondContact O-N 3.44Å; P261-Y304 HydrophobicContact CB-CD1 4.42Å; P261-Y304 HydrophobicContact CB-CD2 4.24Å; P261-Y304 HydrophobicContact CB-CE1 3.94Å; P261-Y304 HydrophobicContact CB-CE2 3.74Å; P261-Y304 HydrophobicContact CG-CE1 4.38Å; P261-Y304 HydrophobicContact CG-CE2 3.97Å; P261-Y304 WeakPolarHBondContact CG-OH 3.37Å
262E97Very high96.3Very high0 Ų029.3 Ų29.30%014%0.137CC..Hα-helixtrans-69.4-39.1178.7-60.6170.8143.500110.9L258 Q259 E260 L266 L301 Y304 I305 R311 L317L258-E262 WeakPolarHBondContact CA-OE2 3.41Å; L258-E262 HydrophobicContact CB-CB 4.09Å; L258-E262 HydrophobicContact CD1-CB 4.46Å; L258-E262 HydrophobicContact CD2-CB 4.4Å; Q259-E262 HydrophobicContact CB-CG 4.45Å; Q259-E262 PolarHBondContact N-OE2 3.38Å; Q259-E262 WeakPolarHBondContact O-CB 3.35Å; Q259-E262 PolarHBondContact O-N 3.37Å; E260-E262 VanDerWaalsContact C-N 3.25Å; E260-E262 PolarHBondContact O-N 2.78Å; E262-L266 VanDerWaalsContact O-CB 3.28Å; E262-L266 WeakPolarHBondContact O-CB 3.35Å; E262-L266 PolarHBondContact O-N 3.41Å; E262-L301 HydrophobicContact CB-CD1 4.11Å; E262-L301 HydrophobicContact CG-CD1 4.15Å; E262-Y304 HydrophobicContact CG-CD1 3.86Å; E262-Y304 HydrophobicContact CG-CE1 3.86Å; E262-I305 HydrophobicContact CG-CG1 4.43Å; E262-R311 IonicContact OE1-NH1 2.88Å; E262-R311 PolarHBondContact OE1-NH1 2.83Å; E262-R311 VanDerWaalsContact OE1-NH1 3.08Å; E262-R311 IonicContact OE2-CZ 2.89Å; E262-R311 IonicContact OE2-NH1 2.85Å; E262-R311 PolarHBondContact OE2-NH1 3.32Å; E262-L317 WeakPolarHBondContact OE1-CD2 3.47Å
263Y98.1Very high95.9Very high9 Ų927.8 Ų27.84%0.03513%0.128CC..Hα-helixtrans-65.4-47.1174.1-79.7-72.8000112.6I204 N207 T208 L253 L258 Q259 E260 L266 A267I204-Y263 HydrophobicContact CG2-CD1 3.97Å; I204-Y263 WeakPolarHBondContact O-CD1 3.41Å; I204-Y263 WeakPolarHBondContact O-CE1 3.24Å; N207-Y263 HydrophobicContact CB-CE1 4.14Å; N207-Y263 PolarHBondContact OD1-OH 3.3Å; N207-Y263 VanDerWaalsContact OD1-OH 3.09Å; T208-Y263 HydrophobicContact CG2-CD1 4.34Å; T208-Y263 HydrophobicContact CG2-CD2 4.1Å; T208-Y263 HydrophobicContact CG2-CE1 4.16Å; T208-Y263 HydrophobicContact CG2-CE2 3.88Å; T208-Y263 HydrophobicContact CG2-CG 4.33Å; L253-Y263 HydrophobicContact CD2-CE1 4.38Å; L258-Y263 HydrophobicContact CB-CD2 3.79Å; L258-Y263 HydrophobicContact CB-CE1 4.33Å; L258-Y263 HydrophobicContact CB-CE2 3.48Å; L258-Y263 VanDerWaalsContact CB-CE2 3.48Å; L258-Y263 HydrophobicContact CB-CG 4.35Å; L258-Y263 HydrophobicContact CD1-CD1 4.21Å; L258-Y263 HydrophobicContact CD1-CE1 4.09Å; L258-Y263 WeakPolarHBondContact O-CE2 3.45Å; Q259-Y263 WeakPolarHBondContact O-CD2 3.22Å; Q259-Y263 PolarHBondContact O-N 3.41Å; Q259-Y263 VanDerWaalsContact O-N 3.09Å; E260-Y263 PolarHBondContact O-N 3.26Å; E260-Y263 VanDerWaalsContact O-N 3.15Å; Y263-L266 WeakPolarHBondContact O-CB 3.48Å; Y263-L266 PolarHBondContact O-N 3.43Å; Y263-A267 WeakPolarHBondContact O-CB 3.37Å; Y263-A267 PolarHBondContact O-N 2.85Å
264V98.3Very high94.7Very high1 Ų129 Ų291%0.00614%0.136CC..Hα-helixtrans-69.7-35.1-176.2-58.10000112L117 L118 H121 E260 P261 A267 A268L117-V264 HydrophobicContact CB-CB 4.14Å; L117-V264 HydrophobicContact CB-CG2 3.85Å; L118-V264 HydrophobicContact CD2-CG1 4.16Å; L118-V264 HydrophobicContact CD2-CG2 3.96Å; L118-V264 HydrophobicContact CG-CG2 4.24Å; H121-V264 HydrophobicContact CB-CG1 3.52Å; E260-V264 PolarHBondContact O-N 2.93Å; P261-V264 WeakPolarHBondContact O-CG2 3.5Å; V264-A267 PolarHBondContact O-N 3.22Å; V264-A268 WeakPolarHBondContact O-CB 3.33Å; V264-A268 PolarHBondContact O-N 3.12Å
265L98.4Very high93.1Very high0 Ų026.7 Ų26.70%014%0.135CC..Hα-helixtrans-67.9-39.5172.7-73.1166000111.2I114 L117 P261 A268 M269 M297 T300 L301I114-L265 HydrophobicContact CD1-CD1 4.28Å; I114-L265 HydrophobicContact CG1-CD1 4.08Å; I114-L265 HydrophobicContact CG1-CD2 4.39Å; I114-L265 HydrophobicContact CG1-CG 4.49Å; L117-L265 HydrophobicContact CD1-CD2 3.65Å; L117-L265 HydrophobicContact CD1-CG 4.29Å; P261-L265 VanDerWaalsContact O-CB 3.31Å; P261-L265 WeakPolarHBondContact O-CB 3.32Å; P261-L265 WeakPolarHBondContact O-CD1 3.25Å; P261-L265 VanDerWaalsContact O-CG 3.23Å; P261-L265 WeakPolarHBondContact O-CG 3.44Å; P261-L265 PolarHBondContact O-N 3.44Å; L265-A268 PolarHBondContact O-N 3.32Å; L265-M269 VanDerWaalsContact O-CG 3.25Å; L265-M269 WeakPolarHBondContact O-CG 3.33Å; L265-M269 PolarHBondContact O-N 3.49Å; L265-M297 HydrophobicContact CD2-SD 4.36Å; L265-T300 HydrophobicContact CD1-CG2 4.12Å; L265-T300 HydrophobicContact CD2-CG2 3.86Å; L265-L301 HydrophobicContact CB-CB 4.09Å; L265-L301 HydrophobicContact CB-CD1 4.11Å; L265-L301 HydrophobicContact CD1-CB 4.02Å; L265-L301 HydrophobicContact CD1-CD1 4.07Å
266L98Very high91Very high3 Ų323.7 Ų23.72%0.01613%0.129CC..Hα-helixtrans-62.6-42.5174.7-163.871.2000111.8I204 L253 L258 E262 Y263 M269 A270 L321 L325I204-L266 HydrophobicContact CD1-CD2 4.32Å; I204-L266 HydrophobicContact CD1-CG 4.1Å; I204-L266 HydrophobicContact CG1-CD2 4.19Å; I204-L266 HydrophobicContact CG2-CB 4.36Å; I204-L266 HydrophobicContact CG2-CD2 4.13Å; L253-L266 HydrophobicContact CD1-CD2 4.26Å; L258-L266 HydrophobicContact CD1-CD2 4.48Å; E262-L266 VanDerWaalsContact O-CB 3.28Å; E262-L266 WeakPolarHBondContact O-CB 3.35Å; E262-L266 PolarHBondContact O-N 3.41Å; Y263-L266 WeakPolarHBondContact O-CB 3.48Å; Y263-L266 PolarHBondContact O-N 3.43Å; L266-M269 PolarHBondContact O-N 2.88Å; L266-A270 PolarHBondContact O-N 2.89Å; L266-L321 HydrophobicContact CD1-CB 4.03Å; L266-L321 HydrophobicContact CD2-CD2 4.34Å; L266-L325 HydrophobicContact CD1-CD1 3.71Å; L266-L325 HydrophobicContact CD1-CD2 3.96Å; L266-L325 HydrophobicContact CD1-CG 3.66Å; L266-L325 HydrophobicContact CG-CD2 4.02Å; L266-L325 HydrophobicContact CG-CG 4.28Å
267A98Very high88.8Confident1 Ų132.2 Ų32.21%0.00816%0.161CC..Hα-helixtrans-64.3-41.4174.800000112.1I201 I204 Y263 V264 A270 L271I201-A267 HydrophobicContact CG1-CB 4.24Å; I201-A267 HydrophobicContact CG2-CB 4.08Å; I204-A267 HydrophobicContact CG2-CB 4.35Å; Y263-A267 WeakPolarHBondContact O-CB 3.37Å; Y263-A267 PolarHBondContact O-N 2.85Å; V264-A267 PolarHBondContact O-N 3.22Å; A267-A270 PolarHBondContact O-N 3.02Å; A267-L271 PolarHBondContact O-N 3.16Å
268A98.1Very high86.5Confident0 Ų030.5 Ų30.50%016%0.155CC..Hα-helixtrans-65.1-38.8175.300000112L117 V264 L265 A270 L271 F272 M297L117-A268 HydrophobicContact CD1-CB 4.1Å; L117-A268 HydrophobicContact CD2-CB 3.89Å; V264-A268 WeakPolarHBondContact O-CB 3.33Å; V264-A268 PolarHBondContact O-N 3.12Å; L265-A268 PolarHBondContact O-N 3.32Å; A268-A270 VanDerWaalsContact C-N 3.33Å; A268-A270 PolarHBondContact O-N 3.22Å; A268-L271 WeakPolarHBondContact O-CB 3.48Å; A268-L271 PolarHBondContact O-N 3.22Å; A268-F272 HydrophobicContact CB-CD2 4.47Å; A268-F272 VanDerWaalsContact O-CD2 3.22Å; A268-F272 WeakPolarHBondContact O-CD2 3.49Å; A268-F272 PolarHBondContact O-N 3.07Å; A268-M297 HydrophobicContact CB-CG 3.93Å; A268-M297 HydrophobicContact CB-SD 3.63Å
269M97.1Very high84.1Confident7 Ų736.1 Ų36.13%0.03419%0.191CC..Hα-helixtrans-62.7-37.6173.1-72175.466.700112.5L265 L266 Q294 M297 A298 L301 L322 L325L265-M269 VanDerWaalsContact O-CG 3.25Å; L265-M269 WeakPolarHBondContact O-CG 3.33Å; L265-M269 PolarHBondContact O-N 3.49Å; L266-M269 PolarHBondContact O-N 2.88Å; M269-Q294 PolarHBondContact O-NE2 2.88Å; M269-M297 HydrophobicContact CG-CB 3.62Å; M269-A298 HydrophobicContact CE-CB 3.62Å; M269-A298 HydrophobicContact SD-CB 4.08Å; M269-L301 HydrophobicContact SD-CB 4.49Å; M269-L301 HydrophobicContact SD-CD2 3.72Å; M269-L322 HydrophobicContact CE-CD2 3.56Å; M269-L325 HydrophobicContact CB-CD1 4.12Å; M269-L325 HydrophobicContact CE-CD1 3.83Å; M269-L325 HydrophobicContact SD-CD1 4.49Å
270A95.4Very high82Confident3 Ų337.4 Ų37.43%0.02520%0.199CC..Hα-helixtrans-67-42.9173.300000111.4A197 E200 I201 I204 L266 A267 A268 S273 L325A197-A270 WeakPolarHBondContact CB-O 3.43Å; E200-A270 HydrophobicContact CB-CB 4.33Å; I201-A270 HydrophobicContact CG1-CB 4.35Å; I204-A270 HydrophobicContact CD1-CB 4.04Å; L266-A270 PolarHBondContact O-N 2.89Å; A267-A270 PolarHBondContact O-N 3.02Å; A268-A270 VanDerWaalsContact C-N 3.33Å; A268-A270 PolarHBondContact O-N 3.22Å; A270-S273 WeakPolarHBondContact O-CB 3.42Å; A270-S273 PolarHBondContact O-N 3.31Å; A270-L325 HydrophobicContact CB-CD2 4.22Å
271L95.7Very high80.1Confident0 Ų035.2 Ų35.20%019%0.187CC..Hα-helixtrans-59.3-56.4177.9-179.961000112.3T176 L179 F182 L193 A197 I201 A267 A268 S273T176-L271 HydrophobicContact CG2-CD1 3.65Å; T176-L271 HydrophobicContact CG2-CD2 3.59Å; T176-L271 HydrophobicContact CG2-CG 4.25Å; L179-L271 HydrophobicContact CD1-CD2 4.09Å; F182-L271 HydrophobicContact CD2-CD1 4.2Å; F182-L271 HydrophobicContact CD2-CD2 3.92Å; F182-L271 HydrophobicContact CD2-CG 4.23Å; F182-L271 HydrophobicContact CE2-CD1 3.87Å; F182-L271 HydrophobicContact CE2-CD2 4.41Å; F182-L271 HydrophobicContact CE2-CG 4.39Å; L193-L271 HydrophobicContact CB-CD1 4.29Å; L193-L271 WeakPolarHBondContact CD2-O 3.34Å; A197-L271 HydrophobicContact CB-CD1 4.47Å; I201-L271 HydrophobicContact CD1-CB 4.02Å; I201-L271 HydrophobicContact CD1-CD1 4.35Å; A267-L271 PolarHBondContact O-N 3.16Å; A268-L271 WeakPolarHBondContact O-CB 3.48Å; A268-L271 PolarHBondContact O-N 3.22Å; L271-S273 PolarHBondContact O-N 3.3Å
272F95.1Very high78.2Confident0 Ų040 Ų400%022%0.219CC..THydrogen-bonded Turntrans-8238.6-178.4-60.7-66.9000111.4V181 F182 L185 A268 P274 I290 L293 Q294 M297V181-F272 HydrophobicContact CG2-CE2 4.39Å; V181-F272 HydrophobicContact CG2-CZ 3.83Å; F182-F272 HydrophobicContact CB-CE1 4.3Å; F182-F272 HydrophobicContact CB-CZ 4.14Å; F182-F272 HydrophobicContact CD2-CE1 4.18Å; L185-F272 HydrophobicContact CD1-CE1 4.23Å; A268-F272 HydrophobicContact CB-CD2 4.47Å; A268-F272 VanDerWaalsContact O-CD2 3.22Å; A268-F272 WeakPolarHBondContact O-CD2 3.49Å; A268-F272 PolarHBondContact O-N 3.07Å; F272-P274 WeakPolarHBondContact O-CD 3.22Å; F272-I290 HydrophobicContact CB-CG2 4.45Å; F272-I290 WeakPolarHBondContact O-CG2 3.24Å; F272-L293 HydrophobicContact CB-CB 4.13Å; F272-L293 HydrophobicContact CD1-CB 4.08Å; F272-L293 HydrophobicContact CD1-CD1 3.8Å; F272-L293 HydrophobicContact CD2-CB 4.46Å; F272-L293 HydrophobicContact CE1-CD1 3.86Å; F272-L293 HydrophobicContact CG-CB 3.97Å; F272-Q294 HydrophobicContact CB-CB 4.39Å; F272-Q294 WeakPolarHBondContact O-CB 3.33Å; F272-Q294 WeakPolarHBondContact O-CG 3.39Å; F272-M297 HydrophobicContact CD2-CE 4.08Å; F272-M297 HydrophobicContact CD2-CG 4.28Å; F272-M297 HydrophobicContact CE2-CE 3.9Å
273S88.1Confident76.6Confident7 Ų741.1 Ų41.15%0.04923%0.229CC..  trans-86.2123.8174.9-164.30000111.1A270 L271 A275 R281 Q294A270-S273 WeakPolarHBondContact O-CB 3.42Å; A270-S273 PolarHBondContact O-N 3.31Å; L271-S273 PolarHBondContact O-N 3.3Å; S273-A275 VanDerWaalsContact C-N 3.25Å; S273-A275 PolarHBondContact O-N 3.22Å; S273-R281 PolarHBondContact O-NH1 2.91Å; S273-Q294 PolarHBondContact OG-NE2 3.35Å
274P71.9Confident75.7Confident27 Ų2741.2 Ų41.218%0.17523%0.231CC..  trans-83.2-0.9177.636.9-41000113.5F272 I290 D291 Q294F272-P274 WeakPolarHBondContact O-CD 3.22Å; P274-I290 HydrophobicContact CB-CG2 4.12Å; P274-D291 WeakPolarHBondContact CB-OD1 3.38Å; P274-D291 WeakPolarHBondContact CG-OD1 3.42Å; P274-Q294 VanDerWaalsContact CD-OE1 3.3Å
275A63.3Low75.2Confident34 Ų3445.4 Ų45.428%0.28126%0.257SS..  trans-56131.6-16100000113.4S273S273-A275 VanDerWaalsContact C-N 3.25Å; S273-A275 PolarHBondContact O-N 3.22Å
276P52.3Low74.7Confident73 Ų7349.7 Ų49.747%0.47428%0.277SS..  trans-99.930.2-174.439.8-38.6000115.3
277Y47.2Very low74.3Confident203 Ų20355.4 Ų55.480%0.79630%0.298SS*.  trans-108.39.6-164.5-78-75.3000118.3
278L43.7Very low74Confident94 Ų9461.6 Ų61.649%0.49233%0.327SS..SBendtrans-107.8146.7149.4-72.4158.8000106.2D280 E333L278-D280 HydrophobicContact CB-CB 4.34Å; L278-D280 PolarHBondContact O-N 2.96Å; L278-E333 HydrophobicContact CD1-CG 4.18Å; L278-E333 HydrophobicContact CD2-CG 4.35Å
279T45.4Very low73.8Confident133 Ų13365.2 Ų65.282%0.81634%0.343SS*.THydrogen-bonded Turntrans-48.61.316325.40000114.8
280D49.5Very low73.7Confident88 Ų8864.9 Ų64.947%0.47134%0.342SS..THydrogen-bonded Turntrans-125.722.5-161.2-55.6-50.4000115.6L278L278-D280 HydrophobicContact CB-CB 4.34Å; L278-D280 PolarHBondContact O-N 2.96Å
281R55.7Low73.5Confident42 Ų4268.3 Ų68.316%0.15836%0.36CS..  trans-118.355.1154.5-66.9-162.1-165.1-178.36.7113.5S192 G196 S273 G283 V284S192-R281 WeakPolarHBondContact O-CD 3.29Å; S192-R281 PolarHBondContact O-NE 3.23Å; S192-R281 VanDerWaalsContact O-NE 3.11Å; G196-R281 PolarHBondContact O-NH2 2.73Å; G196-R281 VanDerWaalsContact O-NH2 3.16Å; S273-R281 PolarHBondContact O-NH1 2.91Å; R281-G283 PolarHBondContact O-N 3.44Å; R281-G283 VanDerWaalsContact O-N 3.1Å; R281-V284 HydrophobicContact CB-CG2 4.42Å
282P56.1Low73.5Confident116 Ų11673.1 Ų73.175%0.75338%0.382SS*.THydrogen-bonded Turntrans-63.5-11.4172.727.3-33.3000113.3
283G63.7Low73.6Confident22 Ų2274 Ų7423%0.22739%0.387CS..THydrogen-bonded Turntrans-88.8-10-172.800000117.3D189 S192 R281 T285D189-G283 VanDerWaalsContact OD1-O 3.13Å; S192-G283 WeakPolarHBondContact OG-CA 3.26Å; R281-G283 PolarHBondContact O-N 3.44Å; R281-G283 VanDerWaalsContact O-N 3.1Å; G283-T285 PolarHBondContact O-N 2.81Å
284V79.8Confident73.9Confident11 Ų1175.6 Ų75.67%0.06739%0.394CS..  trans-79.2111.3-178.9-177.40000111.1D189 R281 R287 I290D189-V284 WeakPolarHBondContact OD1-CA 3.38Å; R281-V284 HydrophobicContact CB-CG2 4.42Å; V284-R287 HydrophobicContact CG1-CG 3.94Å; V284-I290 HydrophobicContact CG1-CD1 3.32Å
285T85.9Confident75.1Confident90 Ų9080.1 Ų80.155%0.55241%0.412SS*.  trans-92.2-46.3-178.262.90000112.6D189 G283 R287D189-T285 VanDerWaalsContact CG-OG1 3.3Å; D189-T285 PolarHBondContact OD1-N 3Å; D189-T285 PolarHBondContact OD1-OG1 3.12Å; D189-T285 PolarHBondContact OD2-OG1 2.82Å; D189-T285 VanDerWaalsContact OD2-OG1 3.08Å; G283-T285 PolarHBondContact O-N 2.81Å; T285-R287 VanDerWaalsContact C-N 3.32Å; T285-R287 PolarHBondContact O-N 3.26Å; T285-R287 VanDerWaalsContact O-N 3.12Å
286Q89.9Confident76.7Confident90 Ų9082.6 Ų82.642%0.42142%0.418SS..  trans-89.953.5-176.4-59.6-63.8-13.200113.1P186 D189 H288 E289 I290P186-Q286 HydrophobicContact CG-CG 3.91Å; D189-Q286 VanDerWaalsContact OD2-CB 3.29Å; D189-Q286 WeakPolarHBondContact OD2-CB 3.36Å; D189-Q286 WeakPolarHBondContact OD2-CG 3.35Å; D189-Q286 PolarHBondContact OD2-N 3.32Å; Q286-H288 PolarHBondContact O-N 3.44Å; Q286-E289 HydrophobicContact CB-CB 4.16Å; Q286-E289 PolarHBondContact O-N 3.45Å; Q286-I290 WeakPolarHBondContact O-CG1 3.46Å; Q286-I290 PolarHBondContact O-N 2.88Å; Q286-I290 VanDerWaalsContact O-N 3.08Å
287R89.6Confident78.8Confident123 Ų12379.2 Ų79.246%0.46440%0.396SS..Hα-helixtrans-55-47.8-174.4-67-175.8-175.6-157.3-2.6113.4V284 T285 E289 I290 D291V284-R287 HydrophobicContact CG1-CG 3.94Å; T285-R287 VanDerWaalsContact C-N 3.32Å; T285-R287 PolarHBondContact O-N 3.26Å; T285-R287 VanDerWaalsContact O-N 3.12Å; R287-E289 VanDerWaalsContact C-N 3.34Å; R287-E289 PolarHBondContact O-N 2.91Å; R287-I290 PolarHBondContact O-N 3.29Å; R287-D291 PolarHBondContact O-N 3.4Å
288H91.3Very high81.2Confident131 Ų13170.2 Ų70.261%0.60636%0.363SS*.Hα-helixtrans-62.4-39.9-178.2175.9-89.5000112.8Q286 D291 Q292Q286-H288 PolarHBondContact O-N 3.44Å; H288-D291 PolarHBondContact O-N 2.95Å; H288-Q292 VanDerWaalsContact CE1-CD 3.41Å; H288-Q292 PolarHBondContact CE1-NE2 3.24Å; H288-Q292 WeakPolarHBondContact O-CG 3.39Å; H288-Q292 PolarHBondContact O-N 3.16Å; H288-Q292 VanDerWaalsContact O-N 3.09Å
289E93.8Very high83.6Confident75 Ų7569.6 Ų69.635%0.3536%0.36SS..Hα-helixtrans-65-42.3176.1-172.9178.5171.300110.8L185 Q286 R287 Q292 L293L185-E289 HydrophobicContact CD2-CG 4.45Å; Q286-E289 HydrophobicContact CB-CB 4.16Å; Q286-E289 PolarHBondContact O-N 3.45Å; R287-E289 VanDerWaalsContact C-N 3.34Å; R287-E289 PolarHBondContact O-N 2.91Å; E289-Q292 PolarHBondContact O-N 3.2Å; E289-L293 WeakPolarHBondContact O-CG 3.23Å; E289-L293 PolarHBondContact O-N 2.92Å
290I94.1Very high86.1Confident0 Ų063.3 Ų63.30%032%0.322CS..Hα-helixtrans-65.6-41.7177.5-67.1160.7000111.5L185 D189 L193 F272 P274 V284 Q286 R287 Q292 L293 Q294L185-I290 HydrophobicContact CD1-CG1 4.37Å; L185-I290 HydrophobicContact CD2-CG1 4.48Å; D189-I290 HydrophobicContact CB-CD1 4.46Å; L193-I290 HydrophobicContact CD1-CD1 4.04Å; L193-I290 HydrophobicContact CD1-CG1 4.31Å; L193-I290 HydrophobicContact CD2-CD1 4.21Å; L193-I290 HydrophobicContact CD2-CG2 3.92Å; L193-I290 HydrophobicContact CG-CD1 4.41Å; F272-I290 HydrophobicContact CB-CG2 4.45Å; F272-I290 WeakPolarHBondContact O-CG2 3.24Å; P274-I290 HydrophobicContact CB-CG2 4.12Å; V284-I290 HydrophobicContact CG1-CD1 3.32Å; Q286-I290 WeakPolarHBondContact O-CG1 3.46Å; Q286-I290 PolarHBondContact O-N 2.88Å; Q286-I290 VanDerWaalsContact O-N 3.08Å; R287-I290 PolarHBondContact O-N 3.29Å; I290-Q292 VanDerWaalsContact C-N 3.31Å; I290-Q292 PolarHBondContact O-N 3.04Å; I290-L293 PolarHBondContact O-N 2.94Å; I290-Q294 PolarHBondContact O-N 3.35Å
291D92.6Very high88.3Confident75 Ų7559.1 Ų59.140%0.40130%0.3SS..Hα-helixtrans-55.9-47.2173.2-74.622.8000110.8P274 R287 H288 Q294 E295P274-D291 WeakPolarHBondContact CB-OD1 3.38Å; P274-D291 WeakPolarHBondContact CG-OD1 3.42Å; R287-D291 PolarHBondContact O-N 3.4Å; H288-D291 PolarHBondContact O-N 2.95Å; D291-Q294 WeakPolarHBondContact O-CB 3.36Å; D291-Q294 PolarHBondContact O-N 3.02Å; D291-E295 WeakPolarHBondContact O-CB 3.5Å; D291-E295 PolarHBondContact O-N 3.43Å
292Q95.2Very high90.1Very high102 Ų10259.5 Ų59.548%0.47730%0.303SS..Hα-helixtrans-63.3-43.8179-75-174.8-2000112.1H288 E289 I290 Q294 E295 E296H288-Q292 VanDerWaalsContact CE1-CD 3.41Å; H288-Q292 PolarHBondContact CE1-NE2 3.24Å; H288-Q292 WeakPolarHBondContact O-CG 3.39Å; H288-Q292 PolarHBondContact O-N 3.16Å; H288-Q292 VanDerWaalsContact O-N 3.09Å; E289-Q292 PolarHBondContact O-N 3.2Å; I290-Q292 VanDerWaalsContact C-N 3.31Å; I290-Q292 PolarHBondContact O-N 3.04Å; Q292-Q294 VanDerWaalsContact C-N 3.32Å; Q292-Q294 PolarHBondContact O-N 3.5Å; Q292-E295 PolarHBondContact O-N 3.5Å; Q292-E296 WeakPolarHBondContact O-CB 3.45Å; Q292-E296 PolarHBondContact O-N 3.22Å
293L96.1Very high91.9Very high17 Ų1754.6 Ų54.69%0.08927%0.271CS..Hα-helixtrans-60-43.9174.5-70.3171.8000110.7V181 F272 E289 I290 E295 E296 M297V181-L293 HydrophobicContact CB-CD2 4.22Å; V181-L293 HydrophobicContact CG1-CD2 4.42Å; F272-L293 HydrophobicContact CB-CB 4.13Å; F272-L293 HydrophobicContact CD1-CB 4.08Å; F272-L293 HydrophobicContact CD1-CD1 3.8Å; F272-L293 HydrophobicContact CD2-CB 4.46Å; F272-L293 HydrophobicContact CE1-CD1 3.86Å; F272-L293 HydrophobicContact CG-CB 3.97Å; E289-L293 WeakPolarHBondContact O-CG 3.23Å; E289-L293 PolarHBondContact O-N 2.92Å; I290-L293 PolarHBondContact O-N 2.94Å; L293-E295 VanDerWaalsContact C-N 3.34Å; L293-E295 PolarHBondContact O-N 2.88Å; L293-E296 PolarHBondContact O-N 3.43Å; L293-M297 VanDerWaalsContact O-CG 3.25Å; L293-M297 WeakPolarHBondContact O-CG 3.39Å; L293-M297 PolarHBondContact O-N 3.46Å; L293-M297 VanDerWaalsContact O-N 3.09Å
294Q95.8Very high93.2Very high42 Ų4255 Ų5520%0.19627%0.266CS..Hα-helixtrans-60.8-44.4176.8-150.3-176.231.700112.2M269 F272 S273 P274 I290 D291 Q292 E296 M297 A298M269-Q294 PolarHBondContact O-NE2 2.88Å; F272-Q294 HydrophobicContact CB-CB 4.39Å; F272-Q294 WeakPolarHBondContact O-CB 3.33Å; F272-Q294 WeakPolarHBondContact O-CG 3.39Å; S273-Q294 PolarHBondContact OG-NE2 3.35Å; P274-Q294 VanDerWaalsContact CD-OE1 3.3Å; I290-Q294 PolarHBondContact O-N 3.35Å; D291-Q294 WeakPolarHBondContact O-CB 3.36Å; D291-Q294 PolarHBondContact O-N 3.02Å; Q292-Q294 VanDerWaalsContact C-N 3.32Å; Q292-Q294 PolarHBondContact O-N 3.5Å; Q294-E296 VanDerWaalsContact C-N 3.34Å; Q294-M297 PolarHBondContact O-N 2.88Å; Q294-A298 WeakPolarHBondContact O-CB 3.47Å; Q294-A298 PolarHBondContact O-N 3.36Å
295E95.6Very high93.8Very high122 Ų12255.1 Ų55.157%0.5727%0.266SS*.Hα-helixtrans-62.3-42.9178.9-176.2170.6-159.900110.9D291 Q292 L293 M297 A298 L299D291-E295 WeakPolarHBondContact O-CB 3.5Å; D291-E295 PolarHBondContact O-N 3.43Å; Q292-E295 PolarHBondContact O-N 3.5Å; L293-E295 VanDerWaalsContact C-N 3.34Å; L293-E295 PolarHBondContact O-N 2.88Å; E295-M297 PolarHBondContact O-N 3.48Å; E295-A298 PolarHBondContact O-N 3.08Å; E295-L299 HydrophobicContact CG-CD1 3.93Å; E295-L299 HydrophobicContact CG-CG 4.23Å; E295-L299 WeakPolarHBondContact O-CB 3.37Å; E295-L299 VanDerWaalsContact O-CG 3.3Å; E295-L299 WeakPolarHBondContact O-CG 3.42Å; E295-L299 PolarHBondContact O-N 3.29Å
296E96.8Very high93.8Very high86 Ų8656.4 Ų56.440%0.40226%0.264SS..Hα-helixtrans-59.9-46176.1-170.5-178.2167.400112L113 Q292 L293 Q294 A298 L299 T300L113-E296 HydrophobicContact CD2-CG 4.16Å; Q292-E296 WeakPolarHBondContact O-CB 3.45Å; Q292-E296 PolarHBondContact O-N 3.22Å; L293-E296 PolarHBondContact O-N 3.43Å; Q294-E296 VanDerWaalsContact C-N 3.34Å; E296-A298 VanDerWaalsContact C-N 3.32Å; E296-A298 PolarHBondContact O-N 3.27Å; E296-L299 PolarHBondContact O-N 2.92Å; E296-T300 VanDerWaalsContact O-CB 3.25Å; E296-T300 WeakPolarHBondContact O-CB 3.04Å; E296-T300 PolarHBondContact O-N 3.45Å; E296-T300 PolarHBondContact O-OG1 2.93Å
297M97.2Very high93.6Very high1 Ų153.3 Ų53.31%0.00526%0.257CS..Hα-helixtrans-61.7-42175.2-57.7-65.5154.700111.2L113 L117 L265 A268 M269 F272 L293 Q294 E295 T300 L301L113-M297 HydrophobicContact CD1-CE 3.56Å; L113-M297 HydrophobicContact CD1-SD 3.9Å; L113-M297 HydrophobicContact CD2-CE 4.07Å; L113-M297 HydrophobicContact CD2-SD 3.83Å; L113-M297 HydrophobicContact CG-CE 4.38Å; L113-M297 HydrophobicContact CG-SD 4.21Å; L117-M297 HydrophobicContact CD1-SD 3.87Å; L265-M297 HydrophobicContact CD2-SD 4.36Å; A268-M297 HydrophobicContact CB-CG 3.93Å; A268-M297 HydrophobicContact CB-SD 3.63Å; M269-M297 HydrophobicContact CG-CB 3.62Å; F272-M297 HydrophobicContact CD2-CE 4.08Å; F272-M297 HydrophobicContact CD2-CG 4.28Å; F272-M297 HydrophobicContact CE2-CE 3.9Å; L293-M297 VanDerWaalsContact O-CG 3.25Å; L293-M297 WeakPolarHBondContact O-CG 3.39Å; L293-M297 PolarHBondContact O-N 3.46Å; L293-M297 VanDerWaalsContact O-N 3.09Å; Q294-M297 PolarHBondContact O-N 2.88Å; E295-M297 PolarHBondContact O-N 3.48Å; M297-T300 PolarHBondContact O-N 3.3Å; M297-L301 WeakPolarHBondContact O-CB 3.28Å; M297-L301 PolarHBondContact O-N 2.72Å
298A96.6Very high93.1Very high14 Ų1450.6 Ų50.612%0.11625%0.249CC..Hα-helixtrans-67.1-42.5-178.700000112.3M269 Q294 E295 E296 Q302 Y318M269-A298 HydrophobicContact CE-CB 3.62Å; M269-A298 HydrophobicContact SD-CB 4.08Å; Q294-A298 WeakPolarHBondContact O-CB 3.47Å; Q294-A298 PolarHBondContact O-N 3.36Å; E295-A298 PolarHBondContact O-N 3.08Å; E296-A298 VanDerWaalsContact C-N 3.32Å; E296-A298 PolarHBondContact O-N 3.27Å; A298-Q302 WeakPolarHBondContact O-CB 3.44Å; A298-Q302 PolarHBondContact O-N 3.01Å; A298-Y318 WeakPolarHBondContact O-CE2 3.41Å; A298-Y318 PolarHBondContact O-OH 3.33Å; A298-Y318 VanDerWaalsContact O-OH 3.04Å
299L95.9Very high91.6Very high82 Ų8251.7 Ų51.743%0.42926%0.255SS..Hα-helixtrans-68-40175.8-70175.3000110.8E295 E296 Q302 S303E295-L299 HydrophobicContact CG-CD1 3.93Å; E295-L299 HydrophobicContact CG-CG 4.23Å; E295-L299 WeakPolarHBondContact O-CB 3.37Å; E295-L299 VanDerWaalsContact O-CG 3.3Å; E295-L299 WeakPolarHBondContact O-CG 3.42Å; E295-L299 PolarHBondContact O-N 3.29Å; E296-L299 PolarHBondContact O-N 2.92Å; L299-Q302 WeakPolarHBondContact O-CB 3.46Å; L299-Q302 PolarHBondContact O-N 3.01Å; L299-S303 PolarHBondContact O-N 2.93Å; L299-S303 PolarHBondContact O-OG 3.37Å
300T97.1Very high90.1Very high1 Ų156.6 Ų56.61%0.00628%0.278CS..Hα-helixtrans-62.1-45.1175.6-60.70000112Q110 L113 I114 L265 E296 M297 Q302 S303 Y304Q110-T300 HydrophobicContact CB-CG2 3.98Å; Q110-T300 HydrophobicContact CG-CG2 4.27Å; Q110-T300 PolarHBondContact NE2-OG1 3.46Å; L113-T300 HydrophobicContact CD2-CG2 4.3Å; I114-T300 HydrophobicContact CD1-CG2 3.78Å; I114-T300 HydrophobicContact CG1-CG2 3.79Å; L265-T300 HydrophobicContact CD1-CG2 4.12Å; L265-T300 HydrophobicContact CD2-CG2 3.86Å; E296-T300 VanDerWaalsContact O-CB 3.25Å; E296-T300 WeakPolarHBondContact O-CB 3.04Å; E296-T300 PolarHBondContact O-N 3.45Å; E296-T300 PolarHBondContact O-OG1 2.93Å; M297-T300 PolarHBondContact O-N 3.3Å; T300-Q302 VanDerWaalsContact C-N 3.32Å; T300-Q302 PolarHBondContact O-N 2.93Å; T300-S303 PolarHBondContact O-N 2.94Å; T300-Y304 WeakPolarHBondContact O-CB 3.48Å; T300-Y304 PolarHBondContact O-N 3.07Å
301L96Very high88.6Confident0 Ų059.6 Ų59.60%029%0.289CS..Hα-helixtrans-60.3-42.6173.3179.560000111.9E262 L265 M269 M297 Y304 I305 Y318 L321E262-L301 HydrophobicContact CB-CD1 4.11Å; E262-L301 HydrophobicContact CG-CD1 4.15Å; L265-L301 HydrophobicContact CB-CB 4.09Å; L265-L301 HydrophobicContact CB-CD1 4.11Å; L265-L301 HydrophobicContact CD1-CB 4.02Å; L265-L301 HydrophobicContact CD1-CD1 4.07Å; M269-L301 HydrophobicContact SD-CB 4.49Å; M269-L301 HydrophobicContact SD-CD2 3.72Å; M297-L301 WeakPolarHBondContact O-CB 3.28Å; M297-L301 PolarHBondContact O-N 2.72Å; L301-Y304 PolarHBondContact O-N 3.43Å; L301-I305 HydrophobicContact CD1-CD1 3.79Å; L301-I305 HydrophobicContact CD1-CG1 4.18Å; L301-I305 HydrophobicContact CG-CD1 3.88Å; L301-I305 VanDerWaalsContact O-CG1 3.3Å; L301-I305 WeakPolarHBondContact O-CG1 3.47Å; L301-I305 PolarHBondContact O-N 2.87Å; L301-Y318 HydrophobicContact CB-CE2 4.28Å; L301-Y318 HydrophobicContact CD2-CD2 4.27Å; L301-Y318 HydrophobicContact CD2-CE2 4.24Å; L301-Y318 HydrophobicContact CG-CD2 4.11Å; L301-Y318 HydrophobicContact CG-CE2 4.22Å; L301-L321 HydrophobicContact CD1-CD1 4.4Å; L301-L321 HydrophobicContact CD2-CD1 4Å
302Q93.8Very high86.9Confident50 Ų5062.2 Ų62.223%0.23431%0.31CS..Hα-helixtrans-64.1-44.3177.9-166.3-176.294.400111.8A298 L299 T300 K306 Y318A298-Q302 WeakPolarHBondContact O-CB 3.44Å; A298-Q302 PolarHBondContact O-N 3.01Å; L299-Q302 WeakPolarHBondContact O-CB 3.46Å; L299-Q302 PolarHBondContact O-N 3.01Å; T300-Q302 VanDerWaalsContact C-N 3.32Å; T300-Q302 PolarHBondContact O-N 2.93Å; Q302-K306 HydrophobicContact CG-CD 4.09Å; Q302-K306 WeakPolarHBondContact O-CB 3.43Å; Q302-K306 VanDerWaalsContact O-CG 3.31Å; Q302-K306 WeakPolarHBondContact O-CG 3.19Å; Q302-K306 PolarHBondContact O-N 2.81Å; Q302-Y318 HydrophobicContact CB-CD1 4.45Å; Q302-Y318 HydrophobicContact CB-CD2 3.85Å; Q302-Y318 HydrophobicContact CB-CE1 4.27Å; Q302-Y318 HydrophobicContact CB-CE2 3.65Å; Q302-Y318 HydrophobicContact CB-CG 4.24Å; Q302-Y318 HydrophobicContact CG-CD1 4.08Å; Q302-Y318 HydrophobicContact CG-CD2 4.2Å; Q302-Y318 HydrophobicContact CG-CE1 4.19Å; Q302-Y318 HydrophobicContact CG-CE2 4.31Å; Q302-Y318 HydrophobicContact CG-CG 4.08Å
303S92.5Very high85Confident12 Ų1267.5 Ų67.58%0.08433%0.326CS..Hα-helixtrans-59.8-47.3174.5-66.10000111.5M104 Q110 L299 T300 I305 K306 G307M104-S303 WeakPolarHBondContact CE-OG 3.42Å; Q110-S303 PolarHBondContact NE2-OG 3.29Å; Q110-S303 PolarHBondContact OE1-OG 2.94Å; L299-S303 PolarHBondContact O-N 2.93Å; L299-S303 PolarHBondContact O-OG 3.37Å; T300-S303 PolarHBondContact O-N 2.94Å; S303-I305 PolarHBondContact O-N 3.05Å; S303-K306 PolarHBondContact O-N 3.17Å; S303-G307 PolarHBondContact O-N 3.43Å
304Y92.7Very high83.4Confident31 Ų3168.3 Ų68.312%0.12233%0.33CS..Hα-helixtrans-57.1-54.3179.5-174.8-91000110.7L106 I114 Q259 P261 E262 T300 L301 K306 G307 Q308L106-Y304 HydrophobicContact CD1-CD2 3.94Å; I114-Y304 HydrophobicContact CD1-CD2 3.76Å; I114-Y304 HydrophobicContact CD1-CE2 4.49Å; I114-Y304 HydrophobicContact CD1-CG 4.47Å; Q259-Y304 PolarHBondContact OE1-OH 2.96Å; Q259-Y304 VanDerWaalsContact OE1-OH 3.05Å; P261-Y304 HydrophobicContact CB-CD1 4.42Å; P261-Y304 HydrophobicContact CB-CD2 4.24Å; P261-Y304 HydrophobicContact CB-CE1 3.94Å; P261-Y304 HydrophobicContact CB-CE2 3.74Å; P261-Y304 HydrophobicContact CG-CE1 4.38Å; P261-Y304 HydrophobicContact CG-CE2 3.97Å; P261-Y304 WeakPolarHBondContact CG-OH 3.37Å; E262-Y304 HydrophobicContact CG-CD1 3.86Å; E262-Y304 HydrophobicContact CG-CE1 3.86Å; T300-Y304 WeakPolarHBondContact O-CB 3.48Å; T300-Y304 PolarHBondContact O-N 3.07Å; L301-Y304 PolarHBondContact O-N 3.43Å; Y304-K306 VanDerWaalsContact C-N 3.33Å; Y304-K306 PolarHBondContact O-N 3.01Å; Y304-G307 PolarHBondContact O-N 3.39Å; Y304-G307 VanDerWaalsContact O-N 3.17Å; Y304-Q308 HydrophobicContact CD1-CG 4.44Å; Y304-Q308 HydrophobicContact CE1-CG 4.17Å; Y304-Q308 VanDerWaalsContact CZ-NE2 3.28Å; Y304-Q308 WeakPolarHBondContact O-CG 3.34Å; Y304-Q308 PolarHBondContact O-N 3.48Å; Y304-Q308 PolarHBondContact OH-NE2 3.26Å
305I90.9Very high82.2Confident13 Ų1376.9 Ų76.97%0.06736%0.361CS..Hα-helixtrans-59-43.8180-68.9166.4000111.4E262 L301 S303 G307 Q308 L317 Y318 L321E262-I305 HydrophobicContact CG-CG1 4.43Å; L301-I305 HydrophobicContact CD1-CD1 3.79Å; L301-I305 HydrophobicContact CD1-CG1 4.18Å; L301-I305 HydrophobicContact CG-CD1 3.88Å; L301-I305 VanDerWaalsContact O-CG1 3.3Å; L301-I305 WeakPolarHBondContact O-CG1 3.47Å; L301-I305 PolarHBondContact O-N 2.87Å; S303-I305 PolarHBondContact O-N 3.05Å; I305-G307 VanDerWaalsContact C-N 3.33Å; I305-G307 PolarHBondContact O-N 2.85Å; I305-Q308 PolarHBondContact O-N 3.25Å; I305-L317 HydrophobicContact CD1-CD2 4.18Å; I305-L317 HydrophobicContact CD1-CG 4.09Å; I305-L317 HydrophobicContact CG1-CD2 4.16Å; I305-L317 HydrophobicContact CG2-CB 4.22Å; I305-L317 HydrophobicContact CG2-CD2 4.11Å; I305-L317 HydrophobicContact CG2-CG 4.46Å; I305-Y318 HydrophobicContact CD1-CD2 4.18Å; I305-L321 HydrophobicContact CD1-CD1 3.95Å
306K86.9Confident81.8Confident117 Ų11777.6 Ų77.651%0.50936%0.362SS..Hα-helixtrans-70-29.2-179.5-75.2174.9177.8171.90112.9M104 Q302 S303 Y304 Q308M104-K306 HydrophobicContact CB-CB 4.12Å; M104-K306 HydrophobicContact CE-CD 4.02Å; M104-K306 HydrophobicContact CG-CB 4.28Å; M104-K306 HydrophobicContact SD-CB 3.54Å; M104-K306 VanDerWaalsContact SD-CB 3.54Å; M104-K306 HydrophobicContact SD-CD 3.24Å; M104-K306 WeakPolarHBondContact SD-CD 3.36Å; M104-K306 HydrophobicContact SD-CG 4.05Å; Q302-K306 HydrophobicContact CG-CD 4.09Å; Q302-K306 WeakPolarHBondContact O-CB 3.43Å; Q302-K306 VanDerWaalsContact O-CG 3.31Å; Q302-K306 WeakPolarHBondContact O-CG 3.19Å; Q302-K306 PolarHBondContact O-N 2.81Å; S303-K306 PolarHBondContact O-N 3.17Å; Y304-K306 VanDerWaalsContact C-N 3.33Å; Y304-K306 PolarHBondContact O-N 3.01Å; K306-Q308 VanDerWaalsContact C-N 3.32Å
307G85.3Confident81.6Confident26 Ų2673.7 Ų73.727%0.26834%0.344SS..Hα-helixtrans-73.9-19.8176.800000114M104 S303 Y304 I305 Q309M104-G307 WeakPolarHBondContact O-CA 3.37Å; S303-G307 PolarHBondContact O-N 3.43Å; Y304-G307 PolarHBondContact O-N 3.39Å; Y304-G307 VanDerWaalsContact O-N 3.17Å; I305-G307 VanDerWaalsContact C-N 3.33Å; I305-G307 PolarHBondContact O-N 2.85Å; G307-Q309 PolarHBondContact O-N 3.46Å
308Q79.7Confident81.4Confident65 Ų6575.7 Ų75.730%0.30435%0.352SS..  trans-72.989.5177.5-63.2-60.2-37.200111.3Y304 I305 K306 Q310Y304-Q308 HydrophobicContact CD1-CG 4.44Å; Y304-Q308 HydrophobicContact CE1-CG 4.17Å; Y304-Q308 VanDerWaalsContact CZ-NE2 3.28Å; Y304-Q308 WeakPolarHBondContact O-CG 3.34Å; Y304-Q308 PolarHBondContact O-N 3.48Å; Y304-Q308 PolarHBondContact OH-NE2 3.26Å; I305-Q308 PolarHBondContact O-N 3.25Å; K306-Q308 VanDerWaalsContact C-N 3.32Å; Q308-Q310 PolarHBondContact O-N 3.08Å
309Q59.8Low81.3Confident154 Ų15477.7 Ų77.772%0.7237%0.369SS*.THydrogen-bonded Turntrans-63-13.5-176.8-65.4-169.215.100115.2P103 G307P103-Q309 VanDerWaalsContact CB-NE2 3.29Å; P103-Q309 VanDerWaalsContact CG-NE2 3.35Å; G307-Q309 PolarHBondContact O-N 3.46Å
310Q60.8Low81.3Confident179 Ų17979.2 Ų79.284%0.83637%0.372SS*.THydrogen-bonded Turntrans-107.25.7-166.6-64.6-1704.200115.8Q308 P312Q308-Q310 PolarHBondContact O-N 3.08Å; Q310-P312 WeakPolarHBondContact O-CD 3.41Å
311R64.2Low81.2Confident62 Ų6279.2 Ų79.223%0.23437%0.372CS..  trans-10296.1-178.1-68.6-170.2162.8-166.8-23.8112.6Q257 E262 R313 D314Q257-R311 PolarHBondContact O-NH2 2.95Å; E262-R311 IonicContact OE1-NH1 2.88Å; E262-R311 PolarHBondContact OE1-NH1 2.83Å; E262-R311 VanDerWaalsContact OE1-NH1 3.08Å; E262-R311 IonicContact OE2-CZ 2.89Å; E262-R311 IonicContact OE2-NH1 2.85Å; E262-R311 PolarHBondContact OE2-NH1 3.32Å; R311-R313 PolarHBondContact O-N 3.42Å; R311-D314 HydrophobicContact CB-CB 4.31Å; R311-D314 WeakPolarHBondContact CB-OD2 3.48Å; R311-D314 WeakPolarHBondContact CD-OD2 3.37Å
312P55.2Low81.2Confident131 Ų13182.5 Ų82.585%0.85139%0.389SS*.THydrogen-bonded Turntrans-66.1-0.9-177.323.4-33.2000115.4Q310Q310-P312 WeakPolarHBondContact O-CD 3.41Å
313R56.6Low81.3Confident212 Ų21281.7 Ų81.780%0.839%0.394SS*.THydrogen-bonded Turntrans-112.63.8-171.5-73.7-175.4174.4-178.8-0.7115.6R311R311-R313 PolarHBondContact O-N 3.42Å
314D62.8Low81.4Confident35 Ų3581.3 Ų81.319%0.18739%0.391CS..  trans-106.814.4-155.8-68.74000116.1R311 F316 L317R311-D314 HydrophobicContact CB-CB 4.31Å; R311-D314 WeakPolarHBondContact CB-OD2 3.48Å; R311-D314 WeakPolarHBondContact CD-OD2 3.37Å; D314-F316 PolarHBondContact O-N 3.41Å; D314-L317 HydrophobicContact CB-CB 3.91Å; D314-L317 HydrophobicContact CB-CD2 4.33Å; D314-L317 PolarHBondContact O-N 3.16Å
315R70Confident81.5Confident222 Ų22280.5 Ų80.584%0.83839%0.388SS*.THydrogen-bonded Turntrans-55.2-21.7-175.4-167.2168.9-177.6169.7-0.8113.8
316F87.8Confident81.6Confident136 Ų13682.2 Ų82.260%0.59641%0.405SS*.THydrogen-bonded Turntrans-128.116.9177.5-56.3-69.9000113.7D314 Y318 A319 K320D314-F316 PolarHBondContact O-N 3.41Å; F316-Y318 PolarHBondContact O-N 3.13Å; F316-A319 PolarHBondContact O-N 3.03Å; F316-K320 WeakPolarHBondContact O-CG 3.5Å; F316-K320 PolarHBondContact O-N 3.18Å
317L91.9Very high81.9Confident5 Ų580.5 Ų80.53%0.02640%0.398CS..Hα-helixtrans-57-53.6-176.8176.958000111.1L256 L258 E262 I305 D314 A319 K320 L321L256-L317 HydrophobicContact CB-CD1 3.85Å; L256-L317 HydrophobicContact CD1-CD1 4.02Å; L256-L317 HydrophobicContact CD2-CD1 4.2Å; L256-L317 HydrophobicContact CG-CD1 4.23Å; L258-L317 HydrophobicContact CD2-CD1 3.85Å; L258-L317 HydrophobicContact CD2-CD2 4.48Å; E262-L317 WeakPolarHBondContact OE1-CD2 3.47Å; I305-L317 HydrophobicContact CD1-CD2 4.18Å; I305-L317 HydrophobicContact CD1-CG 4.09Å; I305-L317 HydrophobicContact CG1-CD2 4.16Å; I305-L317 HydrophobicContact CG2-CB 4.22Å; I305-L317 HydrophobicContact CG2-CD2 4.11Å; I305-L317 HydrophobicContact CG2-CG 4.46Å; D314-L317 HydrophobicContact CB-CB 3.91Å; D314-L317 HydrophobicContact CB-CD2 4.33Å; D314-L317 PolarHBondContact O-N 3.16Å; L317-A319 VanDerWaalsContact C-N 3.33Å; L317-A319 PolarHBondContact O-N 3.33Å; L317-K320 WeakPolarHBondContact O-CB 3.45Å; L317-K320 PolarHBondContact O-N 3.48Å; L317-K320 VanDerWaalsContact O-N 3.08Å; L317-L321 HydrophobicContact CD1-CD1 4.4Å; L317-L321 HydrophobicContact CD1-CG 4.26Å; L317-L321 HydrophobicContact CG-CD1 4.33Å; L317-L321 WeakPolarHBondContact O-CG 3.43Å; L317-L321 PolarHBondContact O-N 3.43Å
318Y93.6Very high82.2Confident43 Ų4379.3 Ų79.317%0.16939%0.386CS..Hα-helixtrans-53.5-47.3177.6-177.3-106.2000112.7A298 L301 Q302 I305 F316 K320 L321 L322A298-Y318 WeakPolarHBondContact O-CE2 3.41Å; A298-Y318 PolarHBondContact O-OH 3.33Å; A298-Y318 VanDerWaalsContact O-OH 3.04Å; L301-Y318 HydrophobicContact CB-CE2 4.28Å; L301-Y318 HydrophobicContact CD2-CD2 4.27Å; L301-Y318 HydrophobicContact CD2-CE2 4.24Å; L301-Y318 HydrophobicContact CG-CD2 4.11Å; L301-Y318 HydrophobicContact CG-CE2 4.22Å; Q302-Y318 HydrophobicContact CB-CD1 4.45Å; Q302-Y318 HydrophobicContact CB-CD2 3.85Å; Q302-Y318 HydrophobicContact CB-CE1 4.27Å; Q302-Y318 HydrophobicContact CB-CE2 3.65Å; Q302-Y318 HydrophobicContact CB-CG 4.24Å; Q302-Y318 HydrophobicContact CG-CD1 4.08Å; Q302-Y318 HydrophobicContact CG-CD2 4.2Å; Q302-Y318 HydrophobicContact CG-CE1 4.19Å; Q302-Y318 HydrophobicContact CG-CE2 4.31Å; Q302-Y318 HydrophobicContact CG-CG 4.08Å; I305-Y318 HydrophobicContact CD1-CD2 4.18Å; F316-Y318 PolarHBondContact O-N 3.13Å; Y318-K320 VanDerWaalsContact C-N 3.34Å; Y318-K320 PolarHBondContact O-N 2.88Å; Y318-L321 WeakPolarHBondContact O-CB 3.36Å; Y318-L321 PolarHBondContact O-N 3.48Å; Y318-L322 HydrophobicContact CD1-CD1 4.17Å; Y318-L322 HydrophobicContact CE1-CD1 3.64Å; Y318-L322 HydrophobicContact CE1-CG 4.24Å; Y318-L322 WeakPolarHBondContact O-CG 3.49Å; Y318-L322 PolarHBondContact O-N 3.11Å; Y318-L322 VanDerWaalsContact O-N 3.11Å
319A94.1Very high82.7Confident56 Ų5681 Ų8146%0.46339%0.389SS..Hα-helixtrans-63.8-37.9179.100000112.7F316 L317 L321 L322 G323F316-A319 PolarHBondContact O-N 3.03Å; L317-A319 VanDerWaalsContact C-N 3.33Å; L317-A319 PolarHBondContact O-N 3.33Å; A319-L321 VanDerWaalsContact C-N 3.35Å; A319-L322 PolarHBondContact O-N 2.97Å; A319-G323 PolarHBondContact O-N 2.88Å; A319-G323 VanDerWaalsContact O-N 3.11Å
320K95.4Very high84.1Confident114 Ų11476.9 Ų76.950%0.49638%0.377SS..Hα-helixtrans-65.8-38175.2-70.8175.2-178.7-178.40111.9L256 F316 L317 Y318 G323 L324L256-K320 HydrophobicContact CD1-CB 4.25Å; L256-K320 HydrophobicContact CD2-CD 3.78Å; F316-K320 WeakPolarHBondContact O-CG 3.5Å; F316-K320 PolarHBondContact O-N 3.18Å; L317-K320 WeakPolarHBondContact O-CB 3.45Å; L317-K320 PolarHBondContact O-N 3.48Å; L317-K320 VanDerWaalsContact O-N 3.08Å; Y318-K320 VanDerWaalsContact C-N 3.34Å; Y318-K320 PolarHBondContact O-N 2.88Å; K320-G323 PolarHBondContact O-N 3.07Å; K320-L324 WeakPolarHBondContact O-CG 3.3Å; K320-L324 PolarHBondContact O-N 3.09Å
321L96.1Very high85.6Confident0 Ų068.4 Ų68.40%034%0.338CS..Hα-helixtrans-63.6-41.6176.2-67180000112.2L253 L256 L258 L266 L301 I305 L317 Y318 A319 G323 L324 L325L253-L321 HydrophobicContact CD1-CD2 4.04Å; L256-L321 HydrophobicContact CD1-CD2 3.7Å; L256-L321 HydrophobicContact CD1-CG 4.48Å; L258-L321 HydrophobicContact CD1-CD2 3.71Å; L258-L321 HydrophobicContact CD2-CD1 4.29Å; L258-L321 HydrophobicContact CD2-CD2 3.93Å; L258-L321 HydrophobicContact CG-CD2 4.39Å; L266-L321 HydrophobicContact CD1-CB 4.03Å; L266-L321 HydrophobicContact CD2-CD2 4.34Å; L301-L321 HydrophobicContact CD1-CD1 4.4Å; L301-L321 HydrophobicContact CD2-CD1 4Å; I305-L321 HydrophobicContact CD1-CD1 3.95Å; L317-L321 HydrophobicContact CD1-CD1 4.4Å; L317-L321 HydrophobicContact CD1-CG 4.26Å; L317-L321 HydrophobicContact CG-CD1 4.33Å; L317-L321 WeakPolarHBondContact O-CG 3.43Å; L317-L321 PolarHBondContact O-N 3.43Å; Y318-L321 WeakPolarHBondContact O-CB 3.36Å; Y318-L321 PolarHBondContact O-N 3.48Å; A319-L321 VanDerWaalsContact C-N 3.35Å; L321-G323 VanDerWaalsContact C-N 3.33Å; L321-G323 PolarHBondContact O-N 3.24Å; L321-L324 PolarHBondContact O-N 3.31Å; L321-L325 PolarHBondContact O-N 2.84Å
322L94.8Very high86.8Confident70 Ų7066.5 Ų66.537%0.36633%0.333SS..Hα-helixtrans-62.3-40.6173.7-62.7-176.9000112.2M269 Y318 A319 L325 A326M269-L322 HydrophobicContact CE-CD2 3.56Å; Y318-L322 HydrophobicContact CD1-CD1 4.17Å; Y318-L322 HydrophobicContact CE1-CD1 3.64Å; Y318-L322 HydrophobicContact CE1-CG 4.24Å; Y318-L322 WeakPolarHBondContact O-CG 3.49Å; Y318-L322 PolarHBondContact O-N 3.11Å; Y318-L322 VanDerWaalsContact O-N 3.11Å; A319-L322 PolarHBondContact O-N 2.97Å; L322-L325 PolarHBondContact O-N 3.01Å; L322-A326 PolarHBondContact O-N 3.04Å
323G95.3Very high88.3Confident32 Ų3265 Ų6533%0.3331%0.314SS..Hα-helixtrans-61.7-43.7174.200000112.5A319 K320 L321 L325 A326 E327A319-G323 PolarHBondContact O-N 2.88Å; A319-G323 VanDerWaalsContact O-N 3.11Å; K320-G323 PolarHBondContact O-N 3.07Å; L321-G323 VanDerWaalsContact C-N 3.33Å; L321-G323 PolarHBondContact O-N 3.24Å; G323-L325 PolarHBondContact O-N 3.37Å; G323-A326 WeakPolarHBondContact O-CB 3.48Å; G323-A326 PolarHBondContact O-N 3.38Å; G323-A326 VanDerWaalsContact O-N 3.09Å; G323-E327 PolarHBondContact O-N 3.02Å
324L96.3Very high89.9Confident5 Ų556.3 Ų56.33%0.02629%0.288CS..Hα-helixtrans-65.4-35.4177.7-75.9169.2000113F249 T252 L253 L256 K320 L321 A326 E327 L328F249-L324 HydrophobicContact CD2-CD2 3.77Å; F249-L324 HydrophobicContact CE2-CB 4.08Å; F249-L324 HydrophobicContact CE2-CD2 3.99Å; T252-L324 HydrophobicContact CG2-CD1 4.32Å; T252-L324 HydrophobicContact CG2-CD2 3.83Å; T252-L324 HydrophobicContact CG2-CG 4.49Å; L253-L324 HydrophobicContact CB-CD1 4.15Å; L253-L324 HydrophobicContact CD1-CD1 3.87Å; L256-L324 HydrophobicContact CD1-CD1 3.55Å; K320-L324 WeakPolarHBondContact O-CG 3.3Å; K320-L324 PolarHBondContact O-N 3.09Å; L321-L324 PolarHBondContact O-N 3.31Å; L324-A326 VanDerWaalsContact C-N 3.27Å; L324-A326 PolarHBondContact O-N 3.48Å; L324-E327 PolarHBondContact O-N 3.18Å; L324-L328 WeakPolarHBondContact O-CB 3.49Å; L324-L328 PolarHBondContact O-N 3.02Å
325L93.9Very high91.1Very high14 Ų1455.2 Ų55.27%0.07328%0.281CS..Hα-helixtrans-62-36.4171.2-78.2174.3000111.9I204 L266 M269 A270 L321 L322 G323 L328 R329I204-L325 HydrophobicContact CD1-CD2 4.2Å; L266-L325 HydrophobicContact CD1-CD1 3.71Å; L266-L325 HydrophobicContact CD1-CD2 3.96Å; L266-L325 HydrophobicContact CD1-CG 3.66Å; L266-L325 HydrophobicContact CG-CD2 4.02Å; L266-L325 HydrophobicContact CG-CG 4.28Å; M269-L325 HydrophobicContact CB-CD1 4.12Å; M269-L325 HydrophobicContact CE-CD1 3.83Å; M269-L325 HydrophobicContact SD-CD1 4.49Å; A270-L325 HydrophobicContact CB-CD2 4.22Å; L321-L325 PolarHBondContact O-N 2.84Å; L322-L325 PolarHBondContact O-N 3.01Å; G323-L325 PolarHBondContact O-N 3.37Å; L325-L328 PolarHBondContact O-N 3.41Å; L325-R329 PolarHBondContact O-N 3.21Å
326A92.4Very high91.8Very high49 Ų4945.1 Ų45.141%0.40525%0.246SC..Hα-helixtrans-69.3-40.8175.400000112L322 G323 L324 L328 R329L322-A326 PolarHBondContact O-N 3.04Å; G323-A326 WeakPolarHBondContact O-CB 3.48Å; G323-A326 PolarHBondContact O-N 3.38Å; G323-A326 VanDerWaalsContact O-N 3.09Å; L324-A326 VanDerWaalsContact C-N 3.27Å; L324-A326 PolarHBondContact O-N 3.48Å; A326-L328 VanDerWaalsContact C-N 3.3Å; A326-L328 PolarHBondContact O-N 3.27Å; A326-R329 PolarHBondContact O-N 3.46Å
327E93.4Very high91.7Very high80 Ų8044.2 Ų44.237%0.37424%0.239SC..Hα-helixtrans-61.5-39.7173.2-70.5175.7-145.300111.9G323 L324 R329 S330 I331G323-E327 PolarHBondContact O-N 3.02Å; L324-E327 PolarHBondContact O-N 3.18Å; E327-R329 PolarHBondContact O-N 2.81Å; E327-S330 WeakPolarHBondContact O-CB 3.44Å; E327-S330 PolarHBondContact O-N 2.97Å; E327-S330 VanDerWaalsContact O-N 3.15Å; E327-I331 PolarHBondContact O-N 3.36Å; E327-I331 VanDerWaalsContact O-N 3.14Å
328L93.2Very high91.3Very high1 Ų144.4 Ų44.41%0.00524%0.24CC..Hα-helixtrans-63.3-29.9-178.9-171.956.7000112.8E200 H203 I204 F249 L324 L325 A326 I331 N332E200-L328 HydrophobicContact CB-CD2 3.67Å; E200-L328 HydrophobicContact CB-CG 3.96Å; E200-L328 HydrophobicContact CG-CD2 4.24Å; E200-L328 HydrophobicContact CG-CG 3.99Å; H203-L328 HydrophobicContact CB-CD1 3.99Å; I204-L328 HydrophobicContact CD1-CD2 3.84Å; I204-L328 HydrophobicContact CG1-CD2 3.69Å; F249-L328 HydrophobicContact CE1-CD1 3.97Å; F249-L328 HydrophobicContact CE2-CB 3.96Å; F249-L328 HydrophobicContact CE2-CD1 4.19Å; F249-L328 HydrophobicContact CE2-CG 4.46Å; F249-L328 HydrophobicContact CZ-CB 4.23Å; F249-L328 HydrophobicContact CZ-CD1 3.79Å; F249-L328 HydrophobicContact CZ-CD2 4.04Å; F249-L328 HydrophobicContact CZ-CG 4.25Å; L324-L328 WeakPolarHBondContact O-CB 3.49Å; L324-L328 PolarHBondContact O-N 3.02Å; L325-L328 PolarHBondContact O-N 3.41Å; A326-L328 VanDerWaalsContact C-N 3.3Å; A326-L328 PolarHBondContact O-N 3.27Å; L328-I331 HydrophobicContact CD1-CB 4.41Å; L328-I331 HydrophobicContact CD1-CG2 4.43Å; L328-I331 WeakPolarHBondContact O-CB 3.47Å; L328-I331 PolarHBondContact O-N 3.08Å; L328-N332 WeakPolarHBondContact O-CB 3.42Å; L328-N332 PolarHBondContact O-N 3.14Å
329R89.1Confident90.8Very high101 Ų10142.4 Ų42.438%0.38123%0.233SC..Hα-helixtrans-62.4-46.5173-67.7170.9-178162.9-1.2111.9L325 A326 E327 I331 N332 E333L325-R329 PolarHBondContact O-N 3.21Å; A326-R329 PolarHBondContact O-N 3.46Å; E327-R329 PolarHBondContact O-N 2.81Å; R329-I331 VanDerWaalsContact C-N 3.26Å; R329-I331 PolarHBondContact O-N 2.92Å; R329-N332 WeakPolarHBondContact O-CB 3.42Å; R329-N332 PolarHBondContact O-N 3.14Å; R329-N332 VanDerWaalsContact O-N 3.12Å; R329-E333 PolarHBondContact O-N 3.27Å
330S90.1Very high90.1Very high67 Ų6745.4 Ų45.447%0.46924%0.237SC..Hα-helixtrans-62-37.6176.3-51.50000111.5E327 A334E327-S330 WeakPolarHBondContact O-CB 3.44Å; E327-S330 PolarHBondContact O-N 2.97Å; E327-S330 VanDerWaalsContact O-N 3.15Å; S330-A334 WeakPolarHBondContact O-CB 3.39Å; S330-A334 PolarHBondContact O-N 3.14Å
331I91.4Very high89.4Confident1 Ų145.2 Ų45.21%0.00524%0.238CC..Hα-helixtrans-65.9-41.2174.6-68.6169.9000110.8F242 L245 L246 F249 E327 L328 R329 A334 Y335F242-I331 HydrophobicContact CE2-CG2 4.2Å; L245-I331 HydrophobicContact CD2-CG1 3.95Å; L245-I331 HydrophobicContact CG-CD1 4.39Å; L245-I331 HydrophobicContact CG-CG1 3.96Å; L246-I331 HydrophobicContact CD1-CG2 3.75Å; F249-I331 HydrophobicContact CB-CD1 3.41Å; F249-I331 VanDerWaalsContact CB-CD1 3.41Å; F249-I331 HydrophobicContact CD1-CD1 4.26Å; F249-I331 HydrophobicContact CD2-CD1 4.02Å; F249-I331 HydrophobicContact CG-CD1 3.64Å; E327-I331 PolarHBondContact O-N 3.36Å; E327-I331 VanDerWaalsContact O-N 3.14Å; L328-I331 HydrophobicContact CD1-CB 4.41Å; L328-I331 HydrophobicContact CD1-CG2 4.43Å; L328-I331 WeakPolarHBondContact O-CB 3.47Å; L328-I331 PolarHBondContact O-N 3.08Å; R329-I331 VanDerWaalsContact C-N 3.26Å; R329-I331 PolarHBondContact O-N 2.92Å; I331-A334 PolarHBondContact O-N 2.97Å; I331-Y335 VanDerWaalsContact O-CB 3.22Å; I331-Y335 WeakPolarHBondContact O-CB 3.43Å; I331-Y335 PolarHBondContact O-N 3.25Å
332N89.7Confident88.4Confident23 Ų2345.5 Ų45.512%0.12324%0.239CC..Hα-helixtrans-63.1-45.5178.8-170.526.1000111.6V199 E200 L328 R329 Y335 G336V199-N332 WeakPolarHBondContact CB-OD1 3.16Å; E200-N332 HydrophobicContact CG-CB 3.97Å; E200-N332 PolarHBondContact OE1-ND2 3.33Å; L328-N332 WeakPolarHBondContact O-CB 3.42Å; L328-N332 PolarHBondContact O-N 3.14Å; R329-N332 WeakPolarHBondContact O-CB 3.42Å; R329-N332 PolarHBondContact O-N 3.14Å; R329-N332 VanDerWaalsContact O-N 3.12Å; N332-Y335 PolarHBondContact O-N 3Å; N332-G336 PolarHBondContact O-N 2.86Å
333E87.2Confident87.3Confident99 Ų9950.2 Ų50.246%0.46326%0.259SS..Hα-helixtrans-60.2-48.2173.9-72.5173.3-169.800111.8L278 R329 Y335 G336 Y337L278-E333 HydrophobicContact CD1-CG 4.18Å; L278-E333 HydrophobicContact CD2-CG 4.35Å; R329-E333 PolarHBondContact O-N 3.27Å; E333-Y335 VanDerWaalsContact C-N 3.31Å; E333-Y335 PolarHBondContact O-N 3.4Å; E333-G336 PolarHBondContact O-N 3.09Å; E333-Y337 PolarHBondContact O-N 2.93Å; E333-Y337 VanDerWaalsContact O-N 3.08Å
334A88.7Confident86.2Confident30 Ų3050.3 Ų50.325%0.24826%0.26CS..Hα-helixtrans-62.1-40.4177.400000111.5F242 S330 I331 Y337 Q338F242-A334 HydrophobicContact CD2-CB 3.58Å; F242-A334 HydrophobicContact CE2-CB 3.81Å; S330-A334 WeakPolarHBondContact O-CB 3.39Å; S330-A334 PolarHBondContact O-N 3.14Å; I331-A334 PolarHBondContact O-N 2.97Å; A334-Y337 WeakPolarHBondContact O-CB 3.41Å; A334-Y337 PolarHBondContact O-N 3.49Å; A334-Q338 VanDerWaalsContact O-CG 3.28Å; A334-Q338 WeakPolarHBondContact O-CG 3.32Å; A334-Q338 PolarHBondContact O-N 3.36Å
335Y87.8Confident85.3Confident11 Ų1150.3 Ų50.34%0.04326%0.26CS..Hα-helixtrans-62.6-44.9177.7-179.1-103.1000112.2N165 V199 F238 F242 I331 N332 E333 Y337 Q338 I339 L352N165-Y335 PolarHBondContact OD1-OH 3.38Å; N165-Y335 VanDerWaalsContact OD1-OH 3.14Å; V199-Y335 HydrophobicContact CB-CD1 4.43Å; V199-Y335 HydrophobicContact CB-CE1 4.49Å; V199-Y335 HydrophobicContact CG1-CD1 3.54Å; V199-Y335 HydrophobicContact CG1-CE1 3.77Å; V199-Y335 HydrophobicContact CG1-CG 4.15Å; V199-Y335 HydrophobicContact CG2-CD1 4.04Å; V199-Y335 HydrophobicContact CG2-CE1 3.83Å; F238-Y335 AromaticContact CE1-CD2 3.97Å; F238-Y335 HydrophobicContact CE1-CD2 3.97Å; F238-Y335 AromaticContact CE1-CE2 3.96Å; F238-Y335 HydrophobicContact CE1-CE2 3.96Å; F238-Y335 HydrophobicContact CZ-CD2 4.45Å; F238-Y335 AromaticContact CZ-CE2 3.97Å; F238-Y335 HydrophobicContact CZ-CE2 3.97Å; F242-Y335 HydrophobicContact CE1-CD2 4.27Å; F242-Y335 AromaticContact CZ-CD2 3.83Å; F242-Y335 HydrophobicContact CZ-CD2 3.83Å; F242-Y335 HydrophobicContact CZ-CG 4.35Å; I331-Y335 VanDerWaalsContact O-CB 3.22Å; I331-Y335 WeakPolarHBondContact O-CB 3.43Å; I331-Y335 PolarHBondContact O-N 3.25Å; N332-Y335 PolarHBondContact O-N 3Å; E333-Y335 VanDerWaalsContact C-N 3.31Å; E333-Y335 PolarHBondContact O-N 3.4Å; Y335-Y337 VanDerWaalsContact C-N 3.3Å; Y335-Y337 PolarHBondContact O-N 2.78Å; Y335-Q338 PolarHBondContact O-N 3.19Å; Y335-Q338 VanDerWaalsContact O-N 3.16Å; Y335-I339 HydrophobicContact CD1-CD1 3.66Å; Y335-I339 HydrophobicContact CD1-CG1 4.48Å; Y335-I339 HydrophobicContact CE1-CD1 3.13Å; Y335-I339 HydrophobicContact CE1-CG1 4.19Å; Y335-I339 HydrophobicContact CE2-CD1 4.19Å; Y335-I339 HydrophobicContact CG-CD1 4.41Å; Y335-I339 VanDerWaalsContact CZ-CD1 3.44Å; Y335-I339 PolarHBondContact O-N 2.88Å; Y335-L352 HydrophobicContact CE1-CD1 4.43Å; Y335-L352 HydrophobicContact CE1-CD2 3.9Å; Y335-L352 WeakPolarHBondContact OH-CD2 3.29Å
336G85.4Confident84.4Confident10 Ų1051.1 Ų51.110%0.10327%0.267CS..Hα-helixtrans-57.1-44.1173.600000112N332 E333 I339 Q340N332-G336 PolarHBondContact O-N 2.86Å; E333-G336 PolarHBondContact O-N 3.09Å; G336-I339 PolarHBondContact O-N 3.05Å; G336-Q340 WeakPolarHBondContact O-CG 3.29Å; G336-Q340 PolarHBondContact O-N 3.35Å
337Y85.7Confident83.8Confident117 Ų11752.6 Ų52.646%0.45928%0.279SS..Hα-helixtrans-59.7-47.7173.6178.7-91.9000112E333 A334 Y335 I339 Q340 H341E333-Y337 PolarHBondContact O-N 2.93Å; E333-Y337 VanDerWaalsContact O-N 3.08Å; A334-Y337 WeakPolarHBondContact O-CB 3.41Å; A334-Y337 PolarHBondContact O-N 3.49Å; Y335-Y337 VanDerWaalsContact C-N 3.3Å; Y335-Y337 PolarHBondContact O-N 2.78Å; Y337-I339 PolarHBondContact O-N 3.01Å; Y337-Q340 PolarHBondContact O-N 3.34Å; Y337-H341 AromaticContact CD2-CE1 3.44Å; Y337-H341 VanDerWaalsContact CD2-CE1 3.44Å; Y337-H341 WeakPolarHBondContact CD2-CE1 3.49Å; Y337-H341 AromaticContact CD2-ND1 3.73Å; Y337-H341 AromaticContact CE2-CE1 3.13Å; Y337-H341 WeakPolarHBondContact CE2-CE1 3.4Å; Y337-H341 AromaticContact CE2-ND1 3.63Å; Y337-H341 AromaticContact CE2-NE2 3.54Å; Y337-H341 AromaticContact CG-ND1 3.97Å; Y337-H341 AromaticContact CZ-CE1 3.61Å; Y337-H341 AromaticContact CZ-ND1 3.78Å; Y337-H341 AromaticContact CZ-NE2 3.74Å; Y337-H341 PolarHBondContact O-N 3.46Å; Y337-H341 PolarHBondContact O-ND1 3.32Å
338Q84.7Confident83.2Confident9 Ų952.1 Ų52.14%0.04228%0.278CS..Hα-helixtrans-60-45.2179.7-62.3-66.4-51.700111.7F238 Q239 F242 A334 Y335 Q340 H341 I342F238-Q338 HydrophobicContact CD1-CB 3.62Å; F238-Q338 HydrophobicContact CD1-CG 3.88Å; F238-Q338 HydrophobicContact CE1-CB 3.72Å; F238-Q338 HydrophobicContact CE1-CG 4.38Å; Q239-Q338 VanDerWaalsContact CD-NE2 3.31Å; F242-Q338 HydrophobicContact CB-CG 4.4Å; F242-Q338 HydrophobicContact CD1-CG 3.89Å; F242-Q338 HydrophobicContact CD2-CG 4.41Å; F242-Q338 HydrophobicContact CE1-CG 4.3Å; F242-Q338 HydrophobicContact CG-CG 3.95Å; A334-Q338 VanDerWaalsContact O-CG 3.28Å; A334-Q338 WeakPolarHBondContact O-CG 3.32Å; A334-Q338 PolarHBondContact O-N 3.36Å; Y335-Q338 PolarHBondContact O-N 3.19Å; Y335-Q338 VanDerWaalsContact O-N 3.16Å; Q338-Q340 VanDerWaalsContact C-N 3.3Å; Q338-Q340 PolarHBondContact O-N 3.18Å; Q338-H341 PolarHBondContact O-N 2.83Å; Q338-H341 VanDerWaalsContact O-N 3.13Å; Q338-I342 HydrophobicContact CB-CD1 4.25Å; Q338-I342 VanDerWaalsContact O-CG1 3.23Å; Q338-I342 WeakPolarHBondContact O-CG1 3.44Å; Q338-I342 PolarHBondContact O-N 2.79Å
339I81.6Confident82.7Confident2 Ų252.2 Ų52.21%0.0128%0.278CS..Hα-helixtrans-59.1-40.7-179.3-75.1175.1000112.5Y335 G336 Y337 H341 L352Y335-I339 HydrophobicContact CD1-CD1 3.66Å; Y335-I339 HydrophobicContact CD1-CG1 4.48Å; Y335-I339 HydrophobicContact CE1-CD1 3.13Å; Y335-I339 HydrophobicContact CE1-CG1 4.19Å; Y335-I339 HydrophobicContact CE2-CD1 4.19Å; Y335-I339 HydrophobicContact CG-CD1 4.41Å; Y335-I339 VanDerWaalsContact CZ-CD1 3.44Å; Y335-I339 PolarHBondContact O-N 2.88Å; G336-I339 PolarHBondContact O-N 3.05Å; Y337-I339 PolarHBondContact O-N 3.01Å; I339-H341 VanDerWaalsContact C-N 3.27Å; I339-H341 PolarHBondContact O-N 3.36Å; I339-L352 HydrophobicContact CD1-CD2 3.3Å; I339-L352 HydrophobicContact CD1-CG 3.81Å
340Q80.3Confident82.4Confident119 Ų11951.5 Ų51.556%0.55629%0.287SS*.Hα-helixtrans-69.5-27.9-179-68.3176.73.200112.3G336 Y337 Q338G336-Q340 WeakPolarHBondContact O-CG 3.29Å; G336-Q340 PolarHBondContact O-N 3.35Å; Y337-Q340 PolarHBondContact O-N 3.34Å; Q338-Q340 VanDerWaalsContact C-N 3.3Å; Q338-Q340 PolarHBondContact O-N 3.18Å
341H79.5Confident82.2Confident110 Ų11050.3 Ų50.351%0.50928%0.275SS..Hα-helixtrans-99-16.4-174.8-66.677.5000113.5Y337 Q338 I339 Q343Y337-H341 AromaticContact CD2-CE1 3.44Å; Y337-H341 VanDerWaalsContact CD2-CE1 3.44Å; Y337-H341 WeakPolarHBondContact CD2-CE1 3.49Å; Y337-H341 AromaticContact CD2-ND1 3.73Å; Y337-H341 AromaticContact CE2-CE1 3.13Å; Y337-H341 WeakPolarHBondContact CE2-CE1 3.4Å; Y337-H341 AromaticContact CE2-ND1 3.63Å; Y337-H341 AromaticContact CE2-NE2 3.54Å; Y337-H341 AromaticContact CG-ND1 3.97Å; Y337-H341 AromaticContact CZ-CE1 3.61Å; Y337-H341 AromaticContact CZ-ND1 3.78Å; Y337-H341 AromaticContact CZ-NE2 3.74Å; Y337-H341 PolarHBondContact O-N 3.46Å; Y337-H341 PolarHBondContact O-ND1 3.32Å; Q338-H341 PolarHBondContact O-N 2.83Å; Q338-H341 VanDerWaalsContact O-N 3.13Å; I339-H341 VanDerWaalsContact C-N 3.27Å; I339-H341 PolarHBondContact O-N 3.36Å; H341-Q343 PolarHBondContact O-N 2.87Å
342I76.9Confident81.7Confident6 Ų650.3 Ų50.33%0.03128%0.275CS..SBendtrans-77.1105.8173-67.6165.9000109.2V236 F238 Q338 G344 L345V236-I342 HydrophobicContact CG1-CB 4.25Å; V236-I342 HydrophobicContact CG1-CG2 3.86Å; V236-I342 WeakPolarHBondContact O-CG2 3.29Å; F238-I342 HydrophobicContact CD1-CD1 3.86Å; F238-I342 HydrophobicContact CD2-CD1 4.09Å; F238-I342 HydrophobicContact CE1-CD1 3.91Å; F238-I342 HydrophobicContact CE2-CD1 4.13Å; F238-I342 HydrophobicContact CG-CD1 3.95Å; F238-I342 HydrophobicContact CZ-CD1 4.04Å; Q338-I342 HydrophobicContact CB-CD1 4.25Å; Q338-I342 VanDerWaalsContact O-CG1 3.23Å; Q338-I342 WeakPolarHBondContact O-CG1 3.44Å; Q338-I342 PolarHBondContact O-N 2.79Å; I342-G344 PolarHBondContact O-N 2.78Å; I342-L345 HydrophobicContact CB-CB 3.99Å; I342-L345 HydrophobicContact CB-CD2 4.06Å; I342-L345 HydrophobicContact CD1-CD2 3.93Å; I342-L345 HydrophobicContact CG2-CB 3.42Å; I342-L345 VanDerWaalsContact CG2-CB 3.42Å; I342-L345 HydrophobicContact CG2-CD2 3.76Å; I342-L345 HydrophobicContact CG2-CG 4.22Å; I342-L345 PolarHBondContact O-N 3.11Å; I342-L345 VanDerWaalsContact O-N 3.16Å
343Q70.7Confident81.4Confident169 Ų16953.9 Ų53.979%0.7929%0.291SS*.THydrogen-bonded Turntrans-52120.8-179.1-163.2178.710.900112.3V236 H341 L345V236-Q343 HydrophobicContact CG1-CB 3.62Å; V236-Q343 HydrophobicContact CG2-CB 4.42Å; H341-Q343 PolarHBondContact O-N 2.87Å; Q343-L345 VanDerWaalsContact C-N 3.26Å; Q343-L345 PolarHBondContact O-N 3.28Å
344G72.4Confident81.2Confident34 Ų3454.7 Ų54.735%0.35130%0.295SS..THydrogen-bonded Turntrans81.7-14.2176.300000115.5I342 M348I342-G344 PolarHBondContact O-N 2.78Å; G344-M348 WeakPolarHBondContact O-CG 3.38Å; G344-M348 PolarHBondContact O-N 3.11Å
345L76.6Confident80.8Confident5 Ų554 Ų543%0.02629%0.286CS..Hα-helixtrans-71.7-43.5-179.9-178.764.4000112V158 A162 F238 I342 Q343 A347 M348 M349V158-L345 HydrophobicContact CG1-CD1 3.84Å; A162-L345 HydrophobicContact CB-CD1 4.21Å; F238-L345 HydrophobicContact CE2-CD2 4.49Å; F238-L345 HydrophobicContact CZ-CD2 4.27Å; I342-L345 HydrophobicContact CB-CB 3.99Å; I342-L345 HydrophobicContact CB-CD2 4.06Å; I342-L345 HydrophobicContact CD1-CD2 3.93Å; I342-L345 HydrophobicContact CG2-CB 3.42Å; I342-L345 VanDerWaalsContact CG2-CB 3.42Å; I342-L345 HydrophobicContact CG2-CD2 3.76Å; I342-L345 HydrophobicContact CG2-CG 4.22Å; I342-L345 PolarHBondContact O-N 3.11Å; I342-L345 VanDerWaalsContact O-N 3.16Å; Q343-L345 VanDerWaalsContact C-N 3.26Å; Q343-L345 PolarHBondContact O-N 3.28Å; L345-A347 VanDerWaalsContact C-N 3.29Å; L345-A347 PolarHBondContact O-N 3.42Å; L345-M348 WeakPolarHBondContact O-CB 3.36Å; L345-M348 PolarHBondContact O-N 2.94Å; L345-M348 VanDerWaalsContact O-N 3.07Å; L345-M349 HydrophobicContact CD1-CG 4.39Å; L345-M349 HydrophobicContact CD1-SD 3.65Å; L345-M349 HydrophobicContact CG-SD 3.95Å; L345-M349 WeakPolarHBondContact O-CG 3.44Å; L345-M349 PolarHBondContact O-N 3.11Å
346S74.8Confident80.2Confident31 Ų3154.8 Ų54.822%0.21729%0.293CS..Hα-helixtrans-56.9-42.8175.855.50000112.3M348 M349S346-M348 VanDerWaalsContact C-N 3.27Å; S346-M348 PolarHBondContact O-N 3.33Å; S346-M349 CarbonylContact O-C 3.26Å; S346-M349 PolarHBondContact O-N 3.1Å
347A81Confident79.4Confident80 Ų8058.3 Ų58.366%0.66132%0.316SS*.Hα-helixtrans-65.8-26.9177.400000113.6L345 M349L345-A347 VanDerWaalsContact C-N 3.29Å; L345-A347 PolarHBondContact O-N 3.42Å; A347-M349 VanDerWaalsContact C-N 3.28Å
348M80.3Confident79.1Confident70 Ų7055.4 Ų55.435%0.34531%0.309SS..Hα-helixtrans-78.4-14.3174.2-67.2178-167.500112.6L155 V158 A162 G344 L345 S346 P350L155-M348 HydrophobicContact CD1-CE 3.79Å; V158-M348 HydrophobicContact CG1-SD 4.07Å; A162-M348 HydrophobicContact CB-CB 3.76Å; G344-M348 WeakPolarHBondContact O-CG 3.38Å; G344-M348 PolarHBondContact O-N 3.11Å; L345-M348 WeakPolarHBondContact O-CB 3.36Å; L345-M348 PolarHBondContact O-N 2.94Å; L345-M348 VanDerWaalsContact O-N 3.07Å; S346-M348 VanDerWaalsContact C-N 3.27Å; S346-M348 PolarHBondContact O-N 3.33Å; M348-P350 VanDerWaalsContact C-CD 3.48Å; M348-P350 WeakPolarHBondContact O-CD 3.5Å
349M82.4Confident78.8Confident2 Ų257.8 Ų57.81%0.0132%0.323CS..  trans-130.359.5-170.2-56.9-179.573.600111.9A162 N165 L345 S346 A347 L351 L352 Q353A162-M349 HydrophobicContact CB-CG 3.45Å; A162-M349 VanDerWaalsContact CB-CG 3.45Å; A162-M349 HydrophobicContact CB-SD 3.92Å; N165-M349 HydrophobicContact CB-CE 3.18Å; L345-M349 HydrophobicContact CD1-CG 4.39Å; L345-M349 HydrophobicContact CD1-SD 3.65Å; L345-M349 HydrophobicContact CG-SD 3.95Å; L345-M349 WeakPolarHBondContact O-CG 3.44Å; L345-M349 PolarHBondContact O-N 3.11Å; S346-M349 CarbonylContact O-C 3.26Å; S346-M349 PolarHBondContact O-N 3.1Å; A347-M349 VanDerWaalsContact C-N 3.28Å; M349-L351 VanDerWaalsContact C-N 3.26Å; M349-L351 PolarHBondContact O-N 3.38Å; M349-L352 HydrophobicContact CB-CB 3.98Å; M349-L352 HydrophobicContact CE-CB 3.95Å; M349-L352 HydrophobicContact CE-CD2 3.14Å; M349-L352 HydrophobicContact CE-CG 4.19Å; M349-L352 PolarHBondContact O-N 3.25Å; M349-L352 HydrophobicContact SD-CD2 4.08Å; M349-Q353 PolarHBondContact O-N 3.13Å
350P84.1Confident78.7Confident86 Ų8660.9 Ų60.956%0.55834%0.341SS*.Hα-helixtrans-58.5-36.9-173.223.4-34.3000112.9M348 Q353 E354M348-P350 VanDerWaalsContact C-CD 3.48Å; M348-P350 WeakPolarHBondContact O-CD 3.5Å; P350-Q353 PolarHBondContact O-N 2.79Å; P350-E354 PolarHBondContact O-N 3.13Å
351L84.4Confident78.6Confident43 Ų4357.5 Ų57.523%0.22533%0.328CS..Hα-helixtrans-64.4-41175.8178.562.4000112.1T166 V169 Q170 I173 M349 E354 I355T166-L351 HydrophobicContact CG2-CD2 4.29Å; V169-L351 HydrophobicContact CB-CD2 4.37Å; V169-L351 HydrophobicContact CG1-CD2 3.7Å; V169-L351 HydrophobicContact CG1-CG 4Å; Q170-L351 HydrophobicContact CG-CD2 3.8Å; I173-L351 HydrophobicContact CD1-CD1 4.37Å; I173-L351 HydrophobicContact CD1-CD2 4.35Å; M349-L351 VanDerWaalsContact C-N 3.26Å; M349-L351 PolarHBondContact O-N 3.38Å; L351-E354 PolarHBondContact O-N 3.08Å; L351-I355 HydrophobicContact CD1-CD1 4.46Å; L351-I355 HydrophobicContact CG-CD1 4.33Å; L351-I355 WeakPolarHBondContact O-CG1 3.39Å; L351-I355 PolarHBondContact O-N 3.19Å; L351-I355 VanDerWaalsContact O-N 3.12Å
352L82.1Confident78.5Confident1 Ų154.2 Ų54.21%0.00532%0.317CS..Hα-helixtrans-75.1-32.5179.3-17062.7000111.3V169 V199 Y335 I339 M349 E354 I355 C356V169-L352 HydrophobicContact CG2-CD1 3.99Å; V199-L352 HydrophobicContact CG2-CD1 3.79Å; Y335-L352 HydrophobicContact CE1-CD1 4.43Å; Y335-L352 HydrophobicContact CE1-CD2 3.9Å; Y335-L352 WeakPolarHBondContact OH-CD2 3.29Å; I339-L352 HydrophobicContact CD1-CD2 3.3Å; I339-L352 HydrophobicContact CD1-CG 3.81Å; M349-L352 HydrophobicContact CB-CB 3.98Å; M349-L352 HydrophobicContact CE-CB 3.95Å; M349-L352 HydrophobicContact CE-CD2 3.14Å; M349-L352 HydrophobicContact CE-CG 4.19Å; M349-L352 PolarHBondContact O-N 3.25Å; M349-L352 HydrophobicContact SD-CD2 4.08Å; L352-E354 VanDerWaalsContact C-N 3.33Å; L352-I355 HydrophobicContact CD1-CB 4.38Å; L352-I355 HydrophobicContact CD1-CG2 4.21Å; L352-I355 PolarHBondContact O-N 3.18Å; L352-C356 WeakPolarHBondContact O-CB 3.43Å; L352-C356 PolarHBondContact O-N 3.23Å; L352-C356 PolarHBondContact O-SG 2.96Å
353Q82.9Confident78.6Confident97 Ų9757.4 Ų57.445%0.45334%0.336SS..Hα-helixtrans-58.9-45.4170.4-175.3179.1-1.100110.8M349 P350 I355 C356 S357M349-Q353 PolarHBondContact O-N 3.13Å; P350-Q353 PolarHBondContact O-N 2.79Å; Q353-I355 VanDerWaalsContact C-N 3.3Å; Q353-I355 PolarHBondContact O-N 3.3Å; Q353-C356 PolarHBondContact O-N 3.23Å; Q353-S357 WeakPolarHBondContact O-CB 3.43Å; Q353-S357 PolarHBondContact O-N 2.8Å; Q353-S357 PolarHBondContact O-OG 3.36Å; Q353-S357 VanDerWaalsContact O-OG 3.12Å
354E83.1Confident79.2Confident116 Ų11649.4 Ų49.454%0.54230%0.303SS..Hα-helixtrans-63.1-35.5175.7-173.7-177.2162.600112.7K195 P350 L351 L352 S357K195-E354 WeakPolarHBondContact CE-O 3.36Å; K195-E354 PolarHBondContact NZ-O 3.11Å; P350-E354 PolarHBondContact O-N 3.13Å; L351-E354 PolarHBondContact O-N 3.08Å; L352-E354 VanDerWaalsContact C-N 3.33Å; E354-S357 PolarHBondContact O-OG 3.46Å
355I80.1Confident79.7Confident15 Ų1550.6 Ų50.68%0.07730%0.3CS..Hα-helixtrans-71.2-41.2177.9-76172.8000112.2V169 K195 A198 V199 L351 L352 Q353V169-I355 HydrophobicContact CB-CD1 4.35Å; V169-I355 HydrophobicContact CG1-CD1 3.14Å; V169-I355 HydrophobicContact CG2-CD1 4.3Å; K195-I355 WeakPolarHBondContact O-CG2 3.35Å; A198-I355 HydrophobicContact CB-CD1 4.1Å; A198-I355 HydrophobicContact CB-CG2 4.16Å; V199-I355 HydrophobicContact CG2-CG2 4.42Å; L351-I355 HydrophobicContact CD1-CD1 4.46Å; L351-I355 HydrophobicContact CG-CD1 4.33Å; L351-I355 WeakPolarHBondContact O-CG1 3.39Å; L351-I355 PolarHBondContact O-N 3.19Å; L351-I355 VanDerWaalsContact O-N 3.12Å; L352-I355 HydrophobicContact CD1-CB 4.38Å; L352-I355 HydrophobicContact CD1-CG2 4.21Å; L352-I355 PolarHBondContact O-N 3.18Å; Q353-I355 VanDerWaalsContact C-N 3.3Å; Q353-I355 PolarHBondContact O-N 3.3Å
356C75.4Confident80Confident28 Ų2854.4 Ų54.419%0.18932%0.323CS..Hα-helixtrans-90.80.3-177.7-64.10000113.7L352 Q353L352-C356 WeakPolarHBondContact O-CB 3.43Å; L352-C356 PolarHBondContact O-N 3.23Å; L352-C356 PolarHBondContact O-SG 2.96Å; Q353-C356 PolarHBondContact O-N 3.23Å
357S69.2Low80.5Confident84 Ų8456.5 Ų56.559%0.58733%0.332SS*.  trans-95.60176.167.50000113.6K195 Q353 E354K195-S357 PolarHBondContact NZ-O 2.71Å; Q353-S357 WeakPolarHBondContact O-CB 3.43Å; Q353-S357 PolarHBondContact O-N 2.8Å; Q353-S357 PolarHBondContact O-OG 3.36Å; Q353-S357 VanDerWaalsContact O-OG 3.12Å; E354-S357 PolarHBondContact O-OG 3.46Å

Retrieved 357 of 357 residues in 308.1 ms (Link to these results)

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