A0A087XN75_POEFO Loading...

Sodium/potassium/calcium exchanger 1

Calcium, potassium:sodium antiporter that transports 1 Ca(2+) and 1 K(+) in exchange for 4 Na(+). Critical component of the visual transduction cascade, controlling the calcium concentration of outer segments during light and darkness. Light causes a rapid lowering of cytosolic free calcium in the outer segment of both retinal rod and cone photoreceptors and the light-induced lowering of calcium is caused by extrusion via this protein which plays a key role in the process of light adaptation.

AlphaFold DB , UniProt , Accession A0A087XN75, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 727 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.7Very low44.6Very low224 Ų224156.3 Ų156.3100%1.10371%0.707SS**  0-51.90-92.2176.3169.900114.7H3 C4M1-H3 VanDerWaalsContact C-N 3.32Å; M1-H3 PolarHBondContact O-N 3.2Å; M1-C4 PolarHBondContact O-N 3.15Å
2M39.4Very low46Very low171 Ų171152.2 Ų152.284%0.84270%0.695SS**Hα-helixtrans-45.2-42.3-168-67.9164.574.700116.5C4 H5 R6M2-C4 VanDerWaalsContact C-N 3.28Å; M2-C4 PolarHBondContact O-N 3.2Å; M2-H5 PolarHBondContact O-N 3.42Å; M2-H5 VanDerWaalsContact O-N 3.08Å; M2-R6 PolarHBondContact O-N 3.46Å; M2-R6 VanDerWaalsContact O-N 3.09Å
3H39.5Very low47Very low161 Ų161146.2 Ų146.275%0.74568%0.682SS**Hα-helixtrans-57.6-35.7179.8-110.8-76.1000114.1M1 R7M1-H3 VanDerWaalsContact C-N 3.32Å; M1-H3 PolarHBondContact O-N 3.2Å; H3-R7 PolarHBondContact O-N 3.17Å; H3-R7 VanDerWaalsContact O-N 3.13Å
4C36.5Very low48Very low80 Ų80146.9 Ų146.954%0.54168%0.675SS.*Hα-helixtrans-68.5-39.9177-173.60000111.2M1 M2 R7 K8M1-C4 PolarHBondContact O-N 3.15Å; M2-C4 VanDerWaalsContact C-N 3.28Å; M2-C4 PolarHBondContact O-N 3.2Å; C4-R7 PolarHBondContact O-N 3.44Å; C4-K8 PolarHBondContact O-N 3.04Å
5H43.6Very low49.3Very low125 Ų125141.6 Ų141.658%0.57966%0.657SS**Hα-helixtrans-68.1-38-179.9-155.5-21.6000112.3M2 K8 R9M2-H5 PolarHBondContact O-N 3.42Å; M2-H5 VanDerWaalsContact O-N 3.08Å; H5-K8 PolarHBondContact O-N 3.25Å; H5-R9 PolarHBondContact O-N 2.79Å
6R44.8Very low50.5Low197 Ų197139.3 Ų139.374%0.74365%0.65SS**Hα-helixtrans-64.4-42.7173.2-166.7176.1-176.6-174.91.5111.4M2 R9 L10M2-R6 PolarHBondContact O-N 3.46Å; M2-R6 VanDerWaalsContact O-N 3.09Å; R6-R9 PolarHBondContact O-N 3.26Å; R6-L10 PolarHBondContact O-N 3.12Å
7R45.3Very low51.4Low199 Ų199139.5 Ų139.575%0.75165%0.649SS**Hα-helixtrans-64.7-39.2176.4-145.1177.4-163.6-175.25.1111.9H3 C4 L10 Q11H3-R7 PolarHBondContact O-N 3.17Å; H3-R7 VanDerWaalsContact O-N 3.13Å; C4-R7 PolarHBondContact O-N 3.44Å; R7-L10 PolarHBondContact O-N 3.5Å; R7-Q11 WeakPolarHBondContact O-CG 3.49Å; R7-Q11 PolarHBondContact O-N 2.79Å
8K45Very low52.1Low150 Ų150138.1 Ų138.165%0.65265%0.646SS**Hα-helixtrans-65.3-42173.3-76.3-168.1175.2-1690113.2C4 H5 Q11 L12C4-K8 PolarHBondContact O-N 3.04Å; H5-K8 PolarHBondContact O-N 3.25Å; K8-Q11 PolarHBondContact O-N 3.23Å; K8-L12 WeakPolarHBondContact O-CB 3.43Å; K8-L12 PolarHBondContact O-N 3.13Å
9R50.9Low52.7Low185 Ų185136.4 Ų136.470%0.69864%0.641SS**Hα-helixtrans-62.9-40.1173.6-86.1-167176.6-169.60.3112.4H5 R6 L12 S13H5-R9 PolarHBondContact O-N 2.79Å; R6-R9 PolarHBondContact O-N 3.26Å; R9-L12 PolarHBondContact O-N 3.5Å; R9-S13 WeakPolarHBondContact O-CB 3.45Å; R9-S13 PolarHBondContact O-N 3.47Å
10L46.3Very low53.6Low108 Ų108132.7 Ų132.757%0.56563%0.631SS**Hα-helixtrans-67.5-39.3178.3-147.981.4000112.3R6 R7 R14R6-L10 PolarHBondContact O-N 3.12Å; R7-L10 PolarHBondContact O-N 3.5Å; L10-R14 WeakPolarHBondContact O-CG 3.43Å; L10-R14 PolarHBondContact O-N 2.71Å
11Q55.9Low54.4Low119 Ų119128 Ų12856%0.55662%0.617SS**Hα-helixtrans-63.3-47.4171.6-74.1-72.26.500111.3R7 K8 S13 R14 V15R7-Q11 WeakPolarHBondContact O-CG 3.49Å; R7-Q11 PolarHBondContact O-N 2.79Å; K8-Q11 PolarHBondContact O-N 3.23Å; Q11-S13 VanDerWaalsContact C-N 3.33Å; Q11-S13 PolarHBondContact O-N 3.41Å; Q11-R14 PolarHBondContact O-N 3.46Å; Q11-V15 WeakPolarHBondContact O-CB 3.43Å; Q11-V15 WeakPolarHBondContact O-CG2 3.12Å; Q11-V15 PolarHBondContact O-N 3.27Å
12L61.6Low55.9Low107 Ų107121.4 Ų121.456%0.5659%0.59SS**Hα-helixtrans-61.6-39.9178.7-17267.7000112.2K8 R9 V15 L16K8-L12 WeakPolarHBondContact O-CB 3.43Å; K8-L12 PolarHBondContact O-N 3.13Å; R9-L12 PolarHBondContact O-N 3.5Å; L12-V15 PolarHBondContact O-N 3.29Å; L12-L16 HydrophobicContact CG-CD1 4.18Å; L12-L16 WeakPolarHBondContact O-CB 3.36Å; L12-L16 WeakPolarHBondContact O-CG 3.45Å; L12-L16 PolarHBondContact O-N 3.08Å
13S58.1Low57.5Low75 Ų75119.2 Ų119.252%0.52458%0.576SS.*Hα-helixtrans-67-40.1175.41700000112.5R9 Q11 L16 F17R9-S13 WeakPolarHBondContact O-CB 3.45Å; R9-S13 PolarHBondContact O-N 3.47Å; Q11-S13 VanDerWaalsContact C-N 3.33Å; Q11-S13 PolarHBondContact O-N 3.41Å; S13-L16 PolarHBondContact O-N 3.42Å; S13-F17 WeakPolarHBondContact O-CB 3.5Å; S13-F17 PolarHBondContact O-N 3.36Å
14R61.9Low58.9Low156 Ų156115.1 Ų115.159%0.58956%0.559SS**Hα-helixtrans-66.2-38.7172.6-77-178.1170.2-161.2-5112.5L10 Q11 F17 L18L10-R14 WeakPolarHBondContact O-CG 3.43Å; L10-R14 PolarHBondContact O-N 2.71Å; Q11-R14 PolarHBondContact O-N 3.46Å; R14-F17 PolarHBondContact O-N 3.13Å; R14-L18 WeakPolarHBondContact O-CB 3.4Å; R14-L18 VanDerWaalsContact O-CG 3.29Å; R14-L18 WeakPolarHBondContact O-CG 3.33Å; R14-L18 PolarHBondContact O-N 3.02Å
15V67.5Low60.2Low67 Ų67115.2 Ų115.241%0.40656%0.56SS.*Hα-helixtrans-66.1-41.5174.1168.20000110.7Q11 L12 L18 L19Q11-V15 WeakPolarHBondContact O-CB 3.43Å; Q11-V15 WeakPolarHBondContact O-CG2 3.12Å; Q11-V15 PolarHBondContact O-N 3.27Å; L12-V15 PolarHBondContact O-N 3.29Å; V15-L18 PolarHBondContact O-N 3.5Å; V15-L19 HydrophobicContact CG1-CD1 3.68Å; V15-L19 HydrophobicContact CG1-CG 4.2Å; V15-L19 WeakPolarHBondContact O-CB 3.39Å; V15-L19 WeakPolarHBondContact O-CG 3.11Å; V15-L19 PolarHBondContact O-N 3.02Å
16L67.9Low61.3Low105 Ų105112.8 Ų112.855%0.5555%0.554SS.*Hα-helixtrans-65.6-39.5174.4-77.3165.1000112.6L12 S13 S20L12-L16 HydrophobicContact CG-CD1 4.18Å; L12-L16 WeakPolarHBondContact O-CB 3.36Å; L12-L16 WeakPolarHBondContact O-CG 3.45Å; L12-L16 PolarHBondContact O-N 3.08Å; S13-L16 PolarHBondContact O-N 3.42Å; L16-S20 WeakPolarHBondContact O-CB 3.49Å; L16-S20 PolarHBondContact O-N 3.49Å
17F65.9Low62.6Low143 Ų143106.9 Ų106.963%0.62754%0.536SS*.Hα-helixtrans-66.2-44.4175.1-175.9-97.3000111.8S13 R14 S20 G21 L322S13-F17 WeakPolarHBondContact O-CB 3.5Å; S13-F17 PolarHBondContact O-N 3.36Å; R14-F17 PolarHBondContact O-N 3.13Å; F17-S20 PolarHBondContact O-N 3.44Å; F17-G21 PolarHBondContact O-N 3.12Å; F17-L322 HydrophobicContact CE2-CD1 4.49Å
18L63.9Low64Low113 Ų113102.1 Ų102.159%0.59252%0.519SS*.Hα-helixtrans-66.9-39.2175.1-72.1169.6000112.2R14 V15 S20 V22R14-L18 WeakPolarHBondContact O-CB 3.4Å; R14-L18 VanDerWaalsContact O-CG 3.29Å; R14-L18 WeakPolarHBondContact O-CG 3.33Å; R14-L18 PolarHBondContact O-N 3.02Å; V15-L18 PolarHBondContact O-N 3.5Å; L18-S20 VanDerWaalsContact C-N 3.35Å; L18-V22 VanDerWaalsContact O-CB 3.23Å; L18-V22 WeakPolarHBondContact O-CB 3.23Å; L18-V22 WeakPolarHBondContact O-CG2 3.3Å; L18-V22 PolarHBondContact O-N 3.42Å
19L63.3Low65.1Low106 Ų106100.5 Ų100.556%0.55551%0.514SS*.Hα-helixtrans-67-35.5173.5-75.3171.5000111.6V15 F23V15-L19 HydrophobicContact CG1-CD1 3.68Å; V15-L19 HydrophobicContact CG1-CG 4.2Å; V15-L19 WeakPolarHBondContact O-CB 3.39Å; V15-L19 WeakPolarHBondContact O-CG 3.11Å; V15-L19 PolarHBondContact O-N 3.02Å; L19-F23 WeakPolarHBondContact O-CA 3.43Å; L19-F23 WeakPolarHBondContact O-CB 3.23Å; L19-F23 PolarHBondContact O-N 3.27Å
20S70.6Confident65.9Low62 Ų6297.2 Ų97.243%0.43451%0.51SS..Hα-helixtrans-68.3-46.5174.8174.40000111.5L16 F17 L18 F23 L24L16-S20 WeakPolarHBondContact O-CB 3.49Å; L16-S20 PolarHBondContact O-N 3.49Å; F17-S20 PolarHBondContact O-N 3.44Å; L18-S20 VanDerWaalsContact C-N 3.35Å; S20-F23 PolarHBondContact O-N 3.18Å; S20-L24 WeakPolarHBondContact O-CB 3.42Å; S20-L24 PolarHBondContact O-N 3.42Å
21G70.1Confident67.1Low34 Ų3494.3 Ų94.335%0.35150%0.496SS..Hα-helixtrans-64.9-40.6175.100000112.9F17 C25F17-G21 PolarHBondContact O-N 3.12Å; G21-C25 WeakPolarHBondContact O-CB 3.36Å; G21-C25 PolarHBondContact O-N 3.1Å; G21-C25 PolarHBondContact O-SG 3.45Å; G21-C25 VanDerWaalsContact O-SG 3.4Å
22V75.3Confident67.9Low86 Ų8691.7 Ų91.752%0.52149%0.485SS..Hα-helixtrans-65.3-40.2171.6169.10000110.8L18 C25 T26L18-V22 VanDerWaalsContact O-CB 3.23Å; L18-V22 WeakPolarHBondContact O-CB 3.23Å; L18-V22 WeakPolarHBondContact O-CG2 3.3Å; L18-V22 PolarHBondContact O-N 3.42Å; V22-C25 CarbonylContact O-C 3.59Å; V22-C25 PolarHBondContact O-N 2.91Å; V22-T26 HydrophobicContact CG1-CG2 4.26Å; V22-T26 WeakPolarHBondContact O-CB 3.03Å; V22-T26 WeakPolarHBondContact O-CG2 3.37Å; V22-T26 PolarHBondContact O-N 2.76Å; V22-T26 PolarHBondContact O-OG1 3.31Å; V22-T26 VanDerWaalsContact O-OG1 3.06Å
23F73.6Confident67.9Low125 Ų12589.1 Ų89.155%0.54848%0.477SS..Hα-helixtrans-63.3-46.8177.5-178.1-113.1000111.5L19 S20 T26 L27L19-F23 WeakPolarHBondContact O-CA 3.43Å; L19-F23 WeakPolarHBondContact O-CB 3.23Å; L19-F23 PolarHBondContact O-N 3.27Å; S20-F23 PolarHBondContact O-N 3.18Å; F23-T26 VanDerWaalsContact CA-OG1 3.3Å; F23-T26 WeakPolarHBondContact CA-OG1 3.31Å; F23-T26 CarbonylContact O-C 3.59Å; F23-T26 PolarHBondContact O-N 3.37Å; F23-T26 PolarHBondContact O-OG1 2.72Å; F23-L27 HydrophobicContact CD1-CD1 3.91Å; F23-L27 HydrophobicContact CD1-CG 4.47Å; F23-L27 HydrophobicContact CE1-CD1 3.49Å; F23-L27 VanDerWaalsContact CE1-CD1 3.49Å; F23-L27 HydrophobicContact CE1-CG 4.22Å; F23-L27 HydrophobicContact CE2-CD1 4.4Å; F23-L27 HydrophobicContact CE2-CD2 4.45Å; F23-L27 HydrophobicContact CE2-CG 4.3Å; F23-L27 HydrophobicContact CZ-CD1 3.77Å; F23-L27 HydrophobicContact CZ-CD2 4.3Å; F23-L27 HydrophobicContact CZ-CG 4.13Å; F23-L27 WeakPolarHBondContact O-CB 3.02Å; F23-L27 WeakPolarHBondContact O-CG 3.41Å; F23-L27 PolarHBondContact O-N 3.32Å
24L69.2Low67.8Low76 Ų7688.6 Ų88.640%0.39848%0.477SS..Hα-helixtrans-58.7-47172-87.4149000111.8S20 T26 L27 Y28 M315S20-L24 WeakPolarHBondContact O-CB 3.42Å; S20-L24 PolarHBondContact O-N 3.42Å; L24-T26 VanDerWaalsContact C-N 3.34Å; L24-T26 PolarHBondContact O-N 3.35Å; L24-L27 PolarHBondContact O-N 3.28Å; L24-Y28 VanDerWaalsContact O-CB 3.3Å; L24-Y28 WeakPolarHBondContact O-CB 3.45Å; L24-Y28 PolarHBondContact O-N 3.29Å; L24-M315 HydrophobicContact CD2-SD 4.28Å
25C64.3Low67.5Low82 Ų8287.3 Ų87.355%0.55447%0.472SS*.Hα-helixtrans-62.1-37.9173.9-76.70000112.9G21 V22 Q29G21-C25 WeakPolarHBondContact O-CB 3.36Å; G21-C25 PolarHBondContact O-N 3.1Å; G21-C25 PolarHBondContact O-SG 3.45Å; G21-C25 VanDerWaalsContact O-SG 3.4Å; V22-C25 CarbonylContact O-C 3.59Å; V22-C25 PolarHBondContact O-N 2.91Å; C25-Q29 WeakPolarHBondContact O-CB 3.46Å; C25-Q29 WeakPolarHBondContact O-CG 3.48Å; C25-Q29 PolarHBondContact O-N 2.92Å
26T66.1Low67Low74 Ų7490.8 Ų90.845%0.45449%0.487SS..Hα-helixtrans-72.7-35.1176.352.30000112.3V22 F23 L24 L30V22-T26 HydrophobicContact CG1-CG2 4.26Å; V22-T26 WeakPolarHBondContact O-CB 3.03Å; V22-T26 WeakPolarHBondContact O-CG2 3.37Å; V22-T26 PolarHBondContact O-N 2.76Å; V22-T26 PolarHBondContact O-OG1 3.31Å; V22-T26 VanDerWaalsContact O-OG1 3.06Å; F23-T26 VanDerWaalsContact CA-OG1 3.3Å; F23-T26 WeakPolarHBondContact CA-OG1 3.31Å; F23-T26 CarbonylContact O-C 3.59Å; F23-T26 PolarHBondContact O-N 3.37Å; F23-T26 PolarHBondContact O-OG1 2.72Å; L24-T26 VanDerWaalsContact C-N 3.34Å; L24-T26 PolarHBondContact O-N 3.35Å; T26-L30 WeakPolarHBondContact O-CB 3.43Å; T26-L30 PolarHBondContact O-N 3.35Å
27L71.8Confident65.8Low72 Ų7293 Ų9338%0.37750%0.495SS..Hα-helixtrans-65.3-47.4172.2-75.8178.8000110.3F23 L24 Q29 L30 T31F23-L27 HydrophobicContact CD1-CD1 3.91Å; F23-L27 HydrophobicContact CD1-CG 4.47Å; F23-L27 HydrophobicContact CE1-CD1 3.49Å; F23-L27 VanDerWaalsContact CE1-CD1 3.49Å; F23-L27 HydrophobicContact CE1-CG 4.22Å; F23-L27 HydrophobicContact CE2-CD1 4.4Å; F23-L27 HydrophobicContact CE2-CD2 4.45Å; F23-L27 HydrophobicContact CE2-CG 4.3Å; F23-L27 HydrophobicContact CZ-CD1 3.77Å; F23-L27 HydrophobicContact CZ-CD2 4.3Å; F23-L27 HydrophobicContact CZ-CG 4.13Å; F23-L27 WeakPolarHBondContact O-CB 3.02Å; F23-L27 WeakPolarHBondContact O-CG 3.41Å; F23-L27 PolarHBondContact O-N 3.32Å; L24-L27 PolarHBondContact O-N 3.28Å; L27-Q29 PolarHBondContact O-N 3.16Å; L27-L30 CarbonylContact O-C 3.58Å; L27-L30 PolarHBondContact O-N 3.27Å; L27-L30 VanDerWaalsContact O-N 3.14Å; L27-T31 WeakPolarHBondContact O-CB 3.43Å; L27-T31 PolarHBondContact O-N 3.46Å; L27-T31 PolarHBondContact O-OG1 3.09Å; L27-T31 VanDerWaalsContact O-OG1 3.08Å
28Y75.1Confident64.6Low100 Ų10089.6 Ų89.639%0.39249%0.494SS..Hα-helixtrans-57.2-47.7175.7-177.9-104.4000112L24 L30 T31 I32L24-Y28 VanDerWaalsContact O-CB 3.3Å; L24-Y28 WeakPolarHBondContact O-CB 3.45Å; L24-Y28 PolarHBondContact O-N 3.29Å; Y28-L30 PolarHBondContact O-N 3.38Å; Y28-T31 PolarHBondContact O-N 3.32Å; Y28-I32 HydrophobicContact CD1-CD1 3.86Å; Y28-I32 HydrophobicContact CE1-CD1 3.4Å; Y28-I32 HydrophobicContact CE2-CD1 4.16Å; Y28-I32 HydrophobicContact CG-CD1 4.42Å; Y28-I32 WeakPolarHBondContact O-CB 3.48Å; Y28-I32 WeakPolarHBondContact O-CG1 3.47Å; Y28-I32 PolarHBondContact O-N 3.32Å
29Q68.2Low63.4Low115 Ų11589.8 Ų89.854%0.53750%0.501SS..Hα-helixtrans-66.1-35.3175-70.5-72.60.600112.9C25 L27 S33C25-Q29 WeakPolarHBondContact O-CB 3.46Å; C25-Q29 WeakPolarHBondContact O-CG 3.48Å; C25-Q29 PolarHBondContact O-N 2.92Å; L27-Q29 PolarHBondContact O-N 3.16Å; Q29-S33 VanDerWaalsContact O-CB 3.27Å; Q29-S33 WeakPolarHBondContact O-CB 3.26Å; Q29-S33 PolarHBondContact O-N 2.79Å; Q29-S33 PolarHBondContact O-OG 3.32Å
30L67.6Low62.2Low117 Ų11792.7 Ų92.761%0.61351%0.514SS*.Hα-helixtrans-71.8-36.9177.1-167.873.4000111.7T26 L27 Y28 S33 A34T26-L30 WeakPolarHBondContact O-CB 3.43Å; T26-L30 PolarHBondContact O-N 3.35Å; L27-L30 CarbonylContact O-C 3.58Å; L27-L30 PolarHBondContact O-N 3.27Å; L27-L30 VanDerWaalsContact O-N 3.14Å; Y28-L30 PolarHBondContact O-N 3.38Å; L30-S33 PolarHBondContact O-N 2.99Å; L30-A34 VanDerWaalsContact O-CB 3.28Å; L30-A34 WeakPolarHBondContact O-CB 3.13Å; L30-A34 PolarHBondContact O-N 3Å
31T70.6Confident60.4Low47 Ų4795.8 Ų95.829%0.28853%0.532SS..Hα-helixtrans-67.3-46.5173.5-640000110.9L27 Y28 S33 A34 R35 W311L27-T31 WeakPolarHBondContact O-CB 3.43Å; L27-T31 PolarHBondContact O-N 3.46Å; L27-T31 PolarHBondContact O-OG1 3.09Å; L27-T31 VanDerWaalsContact O-OG1 3.08Å; Y28-T31 PolarHBondContact O-N 3.32Å; T31-S33 VanDerWaalsContact C-N 3.32Å; T31-S33 PolarHBondContact O-N 3.04Å; T31-A34 PolarHBondContact O-N 3.5Å; T31-R35 HydrophobicContact CG2-CG 4.44Å; T31-R35 VanDerWaalsContact O-CG 3.29Å; T31-R35 WeakPolarHBondContact O-CG 3.47Å; T31-R35 PolarHBondContact O-N 2.68Å; T31-W311 HydrophobicContact CG2-CH2 3.71Å; T31-W311 HydrophobicContact CG2-CZ2 3.91Å
32I72.8Confident58.9Low63 Ų63100.4 Ų100.432%0.32355%0.554SS.*Hα-helixtrans-58-46.5172.1-73.7173.4000110.4Y28 A34 R35 L36Y28-I32 HydrophobicContact CD1-CD1 3.86Å; Y28-I32 HydrophobicContact CE1-CD1 3.4Å; Y28-I32 HydrophobicContact CE2-CD1 4.16Å; Y28-I32 HydrophobicContact CG-CD1 4.42Å; Y28-I32 WeakPolarHBondContact O-CB 3.48Å; Y28-I32 WeakPolarHBondContact O-CG1 3.47Å; Y28-I32 PolarHBondContact O-N 3.32Å; I32-A34 PolarHBondContact O-N 2.7Å; I32-R35 PolarHBondContact O-N 3.27Å; I32-L36 HydrophobicContact CG2-CD1 3.8Å; I32-L36 VanDerWaalsContact O-CD1 3.22Å; I32-L36 WeakPolarHBondContact O-CD1 3.48Å; I32-L36 PolarHBondContact O-N 3.4Å
33S61.7Low56.9Low54 Ų54100.7 Ų100.738%0.37857%0.565SS.*Hα-helixtrans-59.5-45.9176.6-590000111.2Q29 L30 T31 R35 L36 Q37Q29-S33 VanDerWaalsContact O-CB 3.27Å; Q29-S33 WeakPolarHBondContact O-CB 3.26Å; Q29-S33 PolarHBondContact O-N 2.79Å; Q29-S33 PolarHBondContact O-OG 3.32Å; L30-S33 PolarHBondContact O-N 2.99Å; T31-S33 VanDerWaalsContact C-N 3.32Å; T31-S33 PolarHBondContact O-N 3.04Å; S33-R35 PolarHBondContact O-N 3.45Å; S33-L36 CarbonylContact O-C 3.58Å; S33-L36 PolarHBondContact O-N 3.49Å; S33-Q37 WeakPolarHBondContact O-CB 3.31Å; S33-Q37 PolarHBondContact O-N 2.79Å
34A56.7Low54.9Low63 Ų63103.9 Ų103.952%0.52158%0.582SS.*Hα-helixtrans-63.9-38.3178.400000113.1L30 T31 I32 Q37L30-A34 VanDerWaalsContact O-CB 3.28Å; L30-A34 WeakPolarHBondContact O-CB 3.13Å; L30-A34 PolarHBondContact O-N 3Å; T31-A34 PolarHBondContact O-N 3.5Å; I32-A34 PolarHBondContact O-N 2.7Å; A34-Q37 PolarHBondContact O-N 2.68Å
35R55.5Low53.1Low129 Ų129108.2 Ų108.249%0.48760%0.604SS.*Hα-helixtrans-67.2-35173.9-65.6-77.4-161.5159.211111.5T31 I32 S33 D305 E312T31-R35 HydrophobicContact CG2-CG 4.44Å; T31-R35 VanDerWaalsContact O-CG 3.29Å; T31-R35 WeakPolarHBondContact O-CG 3.47Å; T31-R35 PolarHBondContact O-N 2.68Å; I32-R35 PolarHBondContact O-N 3.27Å; S33-R35 PolarHBondContact O-N 3.45Å; R35-D305 IonicContact CZ-OD2 3.12Å; R35-D305 IonicContact NH1-OD2 2.66Å; R35-D305 PolarHBondContact NH1-OD2 3.21Å; R35-D305 IonicContact NH2-OD2 2.78Å; R35-D305 PolarHBondContact NH2-OD2 2.68Å; R35-E312 IonicContact NH2-OE1 3.26Å; R35-E312 PolarHBondContact NH2-OE1 3.33Å
36L57.2Low51.5Low140 Ų140107.7 Ų107.773%0.73361%0.612SS**Hα-helixtrans-77.8-26173.1-90.393000114.4I32 S33I32-L36 HydrophobicContact CG2-CD1 3.8Å; I32-L36 VanDerWaalsContact O-CD1 3.22Å; I32-L36 WeakPolarHBondContact O-CD1 3.48Å; I32-L36 PolarHBondContact O-N 3.4Å; S33-L36 CarbonylContact O-C 3.58Å; S33-L36 PolarHBondContact O-N 3.49Å
37Q43.3Very low49.8Very low151 Ų151113.5 Ų113.571%0.70663%0.634SS**Hα-helixtrans-83.7-10.1-175.1-140.880.427.300113.7S33 A34 P39S33-Q37 WeakPolarHBondContact O-CB 3.31Å; S33-Q37 PolarHBondContact O-N 2.79Å; A34-Q37 PolarHBondContact O-N 2.68Å; Q37-P39 WeakPolarHBondContact O-CD 3.36Å
38A39.2Very low47.9Very low73 Ų73117 Ų11760%0.60365%0.653SS**  trans-72.6112.1-176.200000111.7
39P39.2Very low45.7Very low116 Ų116122.5 Ų122.575%0.75368%0.68SS**  trans-78139.3175.9-7.826.9000110.1Q37Q37-P39 WeakPolarHBondContact O-CD 3.36Å
40M37.3Very low43.8Very low168 Ų168120.3 Ų120.383%0.82869%0.687SS**  trans-54.6131.2166.2-75.8-76.2-76.800109.8V42M40-V42 PolarHBondContact O-N 2.72Å
41P33.7Very low42Very low126 Ų126124.6 Ų124.682%0.81870%0.704SS**  trans-70.199.1179.527.7-33.6000110.5A43P41-A43 PolarHBondContact O-N 3.39Å
42V38.7Very low39.9Very low131 Ų131125.7 Ų125.779%0.79473%0.725SS**  trans-70.9123.7171.1179.80000108.7M40 Q44M40-V42 PolarHBondContact O-N 2.72Å; V42-Q44 PolarHBondContact O-N 3.44Å
43A34Very low37.7Very low93 Ų93128.3 Ų128.377%0.76975%0.749SS**  trans-64.2118.2176.300000110.6P41 I45P41-A43 PolarHBondContact O-N 3.39Å; A43-I45 PolarHBondContact O-N 2.93Å
44Q30.8Very low36.1Very low192 Ų192131.7 Ų131.790%0.89777%0.768SS**  trans-80.7104.5174-73.1-173.2-29.400110.3V42V42-Q44 PolarHBondContact O-N 3.44Å
45I31.6Very low34.7Very low166 Ų166137.9 Ų137.985%0.85179%0.786SS**  trans-79.2125.4151.8-62.4173.5000105.9A43A43-I45 PolarHBondContact O-N 2.93Å
46G30.9Very low33.4Very low71 Ų71135 Ų13573%0.73280%0.797SS**  trans-92.2132.5177.700000111.6
47E31Very low32Very low197 Ų197135 Ų13592%0.92180%0.802SS**  trans-121.8144.3156.1-71.8-16211700109.2
48D30.7Very low31.3Very low144 Ų144136.8 Ų136.877%0.7781%0.81SS**  trans-94.3132.3-177.2170.834000110.7
49F29.5Very low30.7Very low217 Ų217140.5 Ų140.595%0.95282%0.82SS**  trans-162.4133.3149.5-101.3-67.4000109.1
50G27.7Very low30.2Very low68 Ų68139.1 Ų139.170%0.70182%0.819SS**  trans-134.4157.2-168.100000117.2
51E29.5Very low29.6Very low207 Ų207137.5 Ų137.597%0.96782%0.819SS**  trans-142.5144.4157.9-65.6-176.7118.300105.8
52G26.2Very low29.2Very low71 Ų71135.8 Ų135.873%0.73282%0.815SS**  cis143.187.9-4.500000112.4
53S26.8Very low28.6Very low117 Ų117138.2 Ų138.282%0.81882%0.817SS**  trans179.1121.6157.7-81.90000114.5
54T28.1Very low28.7Very low125 Ų125139.2 Ų139.277%0.76782%0.816SS**  trans21.9134.4139.260.60000120.7
55E28.6Very low28.4Very low193 Ų193133.4 Ų133.490%0.90281%0.808SS**  -166.8165.961.7-78.9-168.6104.800113.3
56G27.4Very low28.1Very low70 Ų70133.8 Ų133.872%0.72281%0.806SS**  trans78.7109.2166.700000116.3
57V27.1Very low27.8Very low138 Ų138137.6 Ų137.684%0.83681%0.809SS**  cis94.5135.220.3-167.70000114.9
58E29.5Very low27.5Very low189 Ų189135.7 Ų135.788%0.88380%0.8SS**  trans75.8145.8-178.1-47.2-159.7143.200117.8
59D27.3Very low27.3Very low151 Ų151137.4 Ų137.481%0.80780%0.803SS**  176.8135.4-58.2174.127.8000108.1
60A27.3Very low28Very low88 Ų88131.5 Ų131.573%0.72779%0.787SS**  trans-170.582.2172.800000114.7
61T25.1Very low27.8Very low134 Ų134135 Ų13582%0.82279%0.789SS**  trans44.4132133.2-36.80000122.1
62A25.7Very low27.6Very low89 Ų89130.7 Ų130.774%0.73678%0.776SS**  trans-111172.916900000112.9
63E25.5Very low27.4Very low183 Ų183133.5 Ų133.586%0.85578%0.78SS**  trans-162.9151.4153.5-102.2-68.584.200110.9
64P36.9Very low27.4Very low113 Ų113132.1 Ų132.173%0.73478%0.775SS**  trans-125.1178.1-175.543.1-31.1000115.6
65G24.4Very low28Very low71 Ų71130.9 Ų130.973%0.73277%0.769SS**  trans155.7110.6156.400000121.5
66Q24.3Very low27.9Very low174 Ų174128.6 Ų128.681%0.81376%0.763SS**  trans27.9136.9140.2-54-177.6-7800125.1
67L24Very low27.7Very low151 Ų151130 Ų13079%0.79176%0.762SS**  -178.7122.3109.7-11280.8000108.7
68E26.7Very low27.7Very low156 Ų156132.3 Ų132.373%0.72976%0.764SS**  85.5103.877.7-72.8-165.2150.500117.7
69E24.6Very low28.8Very low181 Ų181128.2 Ų128.285%0.84675%0.754SS**  trans45.4168.3131.3-77.8-137117.100124.3
70P44.8Very low28.7Very low93 Ų93127.2 Ų127.260%0.60475%0.753SS**  cis-141.3-163.2-39.238.7-19.4000114.3
71L24.5Very low28.6Very low142 Ų142129.9 Ų129.974%0.74376%0.755SS**  134.7123.2122.1-152.579.3000118.9
72T23.9Very low28.7Very low115 Ų115131.9 Ų131.971%0.70676%0.755SS**  trans62.6152.2151.950.10000120.5
73T23.9Very low28.8Very low131 Ų131133.9 Ų133.980%0.80476%0.759SS**  cis-156.3161.4-1.2-2.30000112.2
74A25.7Very low28.7Very low87 Ų87131.6 Ų131.672%0.71976%0.757SS**  trans-98.2-168.9160.700000109.8
75P41.3Very low29.1Very low99 Ų99131.5 Ų131.564%0.64376%0.757SS**  cis-148.8-165.715.945.8-23.6000117.9
76D25.1Very low29.2Very low145 Ų145133.4 Ų133.478%0.77575%0.754SS**  trans65.7154.8146.7-64-20.2000123.4
77S24.7Very low29.4Very low100 Ų100133.8 Ų133.870%0.69976%0.756SS**  cis-169.8147.4-28.458.70000114.5
78E27.1Very low29.6Very low186 Ų186131.5 Ų131.587%0.86975%0.748SS**  trans68.3175.7144-104.8-167.4166.200123.8
79P51.5Low29.8Very low104 Ų104131.5 Ų131.568%0.67575%0.753SS**  -134-159.3-128.346.5-26.5000116.2
80T25.6Very low31.2Very low129 Ų129127.9 Ų127.979%0.79175%0.745SS**  trans173.8150.1137.3-72.10000114
81D26.3Very low30.4Very low145 Ų145132.3 Ų132.378%0.77576%0.757SS**  trans-77.5166.2-179.7-67.2-78.9000118.5
82Q26.2Very low30.6Very low175 Ų175130.9 Ų130.982%0.81876%0.755SS**  -167.5111.6130-111.2158.793.800118.2
83T27.3Very low30.8Very low132 Ų132131.1 Ų131.181%0.8175%0.751SS**  trans51.9144.9135.945.70000126.4
84T24.6Very low31Very low135 Ų135133.4 Ų133.483%0.82875%0.75SS**  trans-102.4-159.2179.515.80000113
85P45.5Very low31Very low111 Ų111136.3 Ų136.372%0.72175%0.754SS**  cis-123.1-144.9-17.4225.7000110.6
86T26Very low30.4Very low111 Ų111138.5 Ų138.568%0.68176%0.759SS**  cis-164.1134.93.9-230000111.9
87H29.1Very low30.5Very low182 Ų182138 Ų13884%0.84376%0.756SS**  trans176.6163.2143.9-120.8-99.4000111.8
88V28.3Very low30.6Very low102 Ų102138.3 Ų138.362%0.61875%0.754SS**  -161.1119.4-77.7142.40000110.6
89N30.3Very low30.6Very low157 Ų157136 Ų13684%0.8475%0.748SS**  trans60.7161.4154.8-82.113.5000125.1
90P54.2Low29.4Very low104 Ų104136.6 Ų136.668%0.67575%0.75SS**  trans-125.7-163.2-161.645.5-30.1000113.8
91H28.3Very low29.6Very low186 Ų186137.9 Ų137.986%0.86175%0.746SS**  trans-161.7-178.5144.4-111.9-61000114.4
92T28Very low29.6Very low113 Ų113136.9 Ų136.969%0.69375%0.746SS**  trans-138.6171.6-162.1-5.80000112.3
93D28Very low29.6Very low120 Ų120134.7 Ų134.764%0.64274%0.74SS**  trans82.4133.7148.1-8423.9000122.9
94K28.5Very low29.7Very low178 Ų178135.5 Ų135.577%0.77474%0.738SS**  trans105.3154.3132.4-82.3171.5-176.899.60123
95D26.2Very low29.8Very low148 Ų148135.5 Ų135.579%0.79174%0.738SS**  trans-103.5175.7-158.5-45.8-103.2000115.5
96L28.3Very low29Very low145 Ų145134.7 Ų134.776%0.75973%0.734SS**  trans107.5113131.2-154.170.2000120.5
97N27.5Very low29Very low134 Ų134136.1 Ų136.172%0.71774%0.738SS**  trans64.8162.5150.2-68.6-5.5000119.4
98T25.3Very low28.9Very low107 Ų107136.8 Ų136.866%0.65674%0.739SS**  cis-158.7165.522.5-24.40000113.3
99N27.3Very low28.8Very low137 Ų137138.6 Ų138.673%0.73374%0.738SS**  trans74.2144.8151.2-69.1-20000119.7
100T27.1Very low28.6Very low117 Ų117138.5 Ų138.572%0.71873%0.733SS**  cis-160.9151.1-0.43.60000112.4
101H28.8Very low27.3Very low156 Ų156137.9 Ų137.972%0.72274%0.737SS**  trans18.5146.7154.6-78.7-101.1000122.2D103H101-D103 IonicContact CE1-OD2 3.89Å; H101-D103 IonicContact ND1-OD2 3.12Å; H101-D103 PolarHBondContact ND1-OD2 3.18Å; H101-D103 VanDerWaalsContact ND1-OD2 3.12Å
102T26.5Very low27.1Very low124 Ų124134.1 Ų134.176%0.76173%0.731SS**  cis-158.4129.748.942.70000111
103D25.9Very low26.9Very low129 Ų129133.6 Ų133.669%0.6973%0.732SS**  89.7149.280.9-83.8-65.8000117.7H101H101-D103 IonicContact CE1-OD2 3.89Å; H101-D103 IonicContact ND1-OD2 3.12Å; H101-D103 PolarHBondContact ND1-OD2 3.18Å; H101-D103 VanDerWaalsContact ND1-OD2 3.12Å
104I29Very low26.8Very low150 Ų150133.7 Ų133.777%0.76974%0.737SS**  trans112.696.2166.3-60.2172.4000118.6
105T27.1Very low26.7Very low135 Ų135133.5 Ų133.583%0.82874%0.739SS**  trans52.3150.814563.20000122.3
106S29.3Very low26.6Very low93 Ų93130.9 Ų130.965%0.6573%0.732SS**  cis-152.11461251.30000114
107D26.5Very low26.4Very low142 Ų142130.8 Ų130.876%0.75974%0.738SS**  trans43.9123.6145.8-47.2-30.6000121.7
108F27.2Very low26.4Very low195 Ų195131.3 Ų131.386%0.85574%0.74SS**  72147.359.8-89.4-99.9000116.6
109K25.9Very low26.5Very low141 Ų141133.1 Ų133.161%0.61375%0.745SS**  cis-171.3145.8-44.7-154.8-170.7173.8-142.80110.4
110E26.3Very low27.1Very low155 Ų155132.1 Ų132.172%0.72475%0.746SS**  trans72148.8147-108159.6-162.400125.4
111A26.5Very low27Very low91 Ų91132 Ų13275%0.75275%0.745SS**  trans85.198.1141.200000125.1
112S23.4Very low27.1Very low107 Ų107131.3 Ų131.375%0.74875%0.752SS**  61.8133.8110.8-167.10000125.2
113S24.2Very low27.3Very low102 Ų102132.6 Ų132.671%0.71375%0.754SS**  trans73.3154.3148.869.20000118.9
114T25.1Very low27.8Very low121 Ų121138.5 Ų138.574%0.74277%0.767SS**  cis-158.1170.811.2-25.20000112.5
115E26.2Very low28Very low174 Ų174137.7 Ų137.781%0.81377%0.769SS**  trans70.6156.4157.2-65.3-153.910200120.9
116S24.2Very low28.3Very low93 Ų93139.8 Ų139.865%0.6577%0.774SS**  cis-172.3162.8-23.8-91.60000111.2
117T24.4Very low28.5Very low143 Ų143141.1 Ų141.188%0.87778%0.778SS**  trans129158.8157.4-51.80000115.8
118L27.6Very low28.9Very low145 Ų145142.3 Ų142.376%0.75978%0.779SS**  trans-127.9145.4-151.3-77.3156.9000117
119L28.3Very low29.1Very low145 Ų145139.2 Ų139.276%0.75978%0.78SS**  trans67.9162.3145.8-71.8170.3000119
120P38.7Very low29.6Very low117 Ų117139.4 Ų139.476%0.7679%0.786SS**  cis-125.4178.212.943.1-28.6000118.2
121T26.2Very low29.8Very low113 Ų113141.8 Ų141.869%0.69379%0.79SS**  trans-65.2154.8-176.749.70000117
122T31Very low30.2Very low142 Ų142143.2 Ų143.287%0.87179%0.789SS**  trans-130.4127.5146.1-50.60000110.5
123N31.3Very low30.8Very low152 Ų152141.2 Ų141.281%0.81378%0.779SS**  trans-81.5127.8177.5-89.1-24.2000112.1
124R35.3Very low31.5Very low252 Ų252142.3 Ų142.395%0.95178%0.784SS**  trans-141.7135.2144-78.9-158.1164.9114.32.1110.6
125T33.2Very low32.1Very low133 Ų133145.2 Ų145.282%0.81679%0.789SS**  trans-82.6134.6-176.3460000112.1
126L33.7Very low32.8Very low179 Ų179142.3 Ų142.394%0.93779%0.785SS**  trans-120.1151.7156.4-93.3167000109.2
127V34.1Very low33.5Very low121 Ų121143.8 Ų143.873%0.73379%0.793SS**  trans-116134.7-161.1176.10000110.7
128H34.7Very low34Very low168 Ų168145 Ų14578%0.77879%0.793SS**  trans49.9107.3172.8-100.1-83.8000117.7
129C31Very low34.7Very low129 Ų129144.5 Ų144.587%0.87280%0.795SS**  trans-83.7140.9150.6-62.30000109.1
130I36.1Very low34.8Very low145 Ų145143.5 Ų143.574%0.74480%0.796SS**  trans-115.8128.6160.5-64178.2000106.2V132I130-V132 HydrophobicContact CG2-CG2 4.32Å
131Y31.3Very low34.6Very low205 Ų205143.4 Ų143.480%0.80480%0.795SS**  trans-93.2123.1177.2180-87.8000109.1A133Y131-A133 HydrophobicContact CE1-CB 4.28Å
132V33.6Very low35.2Very low122 Ų122144.5 Ų144.574%0.73980%0.801SS**  trans-117.8129.9171.7-176.40000107.2I130I130-V132 HydrophobicContact CG2-CG2 4.32Å
133A35.9Very low35.5Very low64 Ų64143.2 Ų143.253%0.52980%0.796SS.*PPolyproline II helixtrans-79.6149.4177.900000110.7Y131Y131-A133 HydrophobicContact CE1-CB 4.28Å
134P39.3Very low35.8Very low126 Ų126142.3 Ų142.382%0.81880%0.795SS**PPolyproline II helixtrans-72.5128.9176.129.5-33.8000111.2
135E37.3Very low35.9Very low182 Ų182136.2 Ų136.285%0.8579%0.788SS**PPolyproline II helixtrans-79.8156.1167.6-83.7-169.6112.800112.1
136P42.5Very low36Very low112 Ų112133.8 Ų133.873%0.72778%0.782SS**PPolyproline II helixtrans-72.7154.518031.1-36000112.4L138P136-L138 PolarHBondContact O-N 3.11Å
137P38.4Very low36.2Very low125 Ų125130.5 Ų130.581%0.81277%0.771SS**PPolyproline II helixtrans-68.1132.4-178.127.7-34.8000112.6
138L34.9Very low36.2Very low168 Ų168131 Ų13188%0.8878%0.777SS**PPolyproline II helixtrans-74.6145.8174.7-165.370.4000111.2P136P136-L138 PolarHBondContact O-N 3.11Å
139V41Very low36.1Very low134 Ų134128.9 Ų128.981%0.81278%0.776SS**PPolyproline II helixtrans-90.1116.4-179.5-1780000110.9
140T31Very low36.2Very low125 Ų125128.8 Ų128.877%0.76777%0.771SS**PPolyproline II helixtrans-84.6137.5175.1-52.20000111.1
141P35.1Very low35.8Very low114 Ų114128.2 Ų128.274%0.7478%0.775SS**PPolyproline II helixtrans-74.6155.9-177.630-36.5000114.4
142T38.2Very low35.9Very low136 Ų136124.7 Ų124.783%0.83477%0.774SS**PPolyproline II helixtrans-67.1132.6179.3-41.10000112.6
143P37.1Very low35.6Very low116 Ų116123.6 Ų123.675%0.75377%0.772SS**PPolyproline II helixtrans-75.2152.2172.131-34.5000112.7
144V38.3Very low35.5Very low133 Ų133126.7 Ų126.781%0.80679%0.786SS**PPolyproline II helixtrans-74.2146174.6177.20000110.2A146V144-A146 PolarHBondContact O-N 3.37Å
145P36.9Very low35.2Very low123 Ų123124.2 Ų124.280%0.79978%0.776SS**PPolyproline II helixtrans-63134.6-178.7-2334.4000113.7
146A36Very low35.1Very low82 Ų82120 Ų12068%0.67877%0.765SS**PPolyproline II helixtrans-73.8158.216600000111.2V144V144-A146 PolarHBondContact O-N 3.37Å
147P38.2Very low34.8Very low110 Ų110121.4 Ų121.471%0.71477%0.774SS**PPolyproline II helixtrans-59.3155.6169.226.7-35.3000111.5V149P147-V149 PolarHBondContact O-N 3.07Å
148P33.6Very low34.7Very low131 Ų131119.2 Ų119.285%0.85178%0.775SS**  trans-67.4109.4-168.626.6-35000112.4
149V33.4Very low34.7Very low125 Ų125118.7 Ų118.776%0.75877%0.767SS**  trans-72.4130.3162.7178.40000108.2P147 T151P147-V149 PolarHBondContact O-N 3.07Å; V149-T151 PolarHBondContact O-N 2.96Å; V149-T151 VanDerWaalsContact O-N 3.12Å
150T31.4Very low34.5Very low127 Ų127115.1 Ų115.178%0.77975%0.752SS**  trans-63.1111.7177.4-50.60000110.3V152T150-V152 PolarHBondContact O-N 3.27Å
151T27.9Very low34.7Very low133 Ų133115.3 Ų115.382%0.81676%0.755SS**  trans-71.395.7-175.7-43.50000111.9V149V149-T151 PolarHBondContact O-N 2.96Å; V149-T151 VanDerWaalsContact O-N 3.12Å
152V33.7Very low35.4Very low130 Ų130114.6 Ų114.679%0.78874%0.742SS**PPolyproline II helixtrans-69.6129.9164.8-1770000108.5T150T150-V152 PolarHBondContact O-N 3.27Å
153S27.4Very low35.9Very low99 Ų99112.7 Ų112.769%0.69273%0.73SS**PPolyproline II helixtrans-70.6144.9175.5-75.30000111.1A155S153-A155 PolarHBondContact O-N 3.14Å
154P34.5Very low36.8Very low129 Ų129114 Ų11484%0.83872%0.724SS**PPolyproline II helixtrans-65.2125.1173.427.8-33.6000110.3
155A33Very low38Very low74 Ų74108.1 Ų108.161%0.61269%0.69SS**PPolyproline II helixtrans-68.6154.3176.300000111.9S153S153-A155 PolarHBondContact O-N 3.14Å
156P33.6Very low40Very low95 Ų95109.4 Ų109.462%0.61769%0.686SS**PPolyproline II helixtrans-67.3155174.529.8-35.3000112G158P156-G158 PolarHBondContact O-N 2.85Å; P156-G158 VanDerWaalsContact O-N 3.1Å
157P37.9Very low42.3Very low140 Ų140106.9 Ų106.991%0.90966%0.659SS**THydrogen-bonded Turntrans-72.3106.5-177.629.3-34.4000111.3
158G36.6Very low44.5Very low80 Ų80104.5 Ų104.583%0.82564%0.643SS**THydrogen-bonded Turntrans166.9-25.5174.900000115P156P156-G158 PolarHBondContact O-N 2.85Å; P156-G158 VanDerWaalsContact O-N 3.1Å
159E34.6Very low46.8Very low156 Ų156107.5 Ų107.573%0.72965%0.646SS**  trans-90.4136.7178.9-66.8175.8130.400111.5
160A35.9Very low49.3Very low60 Ų60103.1 Ų103.150%0.49662%0.618SS.*  trans-70.3150.7170.200000110.2H162A160-H162 PolarHBondContact O-CD2 3.23Å; A160-H162 PolarHBondContact O-N 3.27Å
161P36.5Very low52Low128 Ų128104.4 Ų104.483%0.83162%0.619SS**  trans-76.670-178.533.2-36.4000111.3V163P161-V163 PolarHBondContact O-N 3.47Å
162H48.8Very low54.8Low99 Ų99100.3 Ų100.346%0.45859%0.59SS.*  trans-66.2102.3171.2-66.6-82.9000109.4A160 K164A160-H162 PolarHBondContact O-CD2 3.23Å; A160-H162 PolarHBondContact O-N 3.27Å; H162-K164 PolarHBondContact O-N 3.38Å; H162-K164 VanDerWaalsContact O-N 3.08Å
163V48.3Very low57.3Low97 Ų9796.5 Ų96.559%0.58857%0.569SS**  trans-61.5108.6159.2177.50000105.9P161 G165P161-V163 PolarHBondContact O-N 3.47Å; V163-G165 PolarHBondContact O-N 3.31Å
164K56.5Low60.1Low143 Ų14393.9 Ų93.962%0.62255%0.547SS*.  trans-69.8114.7177.7-66.8-161.8174.5-129.80108.4H162 E592H162-K164 PolarHBondContact O-N 3.38Å; H162-K164 VanDerWaalsContact O-N 3.08Å; K164-E592 IonicContact NZ-OE1 3.92Å; K164-E592 PolarHBondContact NZ-OE1 2.81Å
165G63.5Low62.5Low9 Ų993 Ų939%0.09353%0.531CS..  trans-56.8157.4168.700000111.8V163 Y167 I245 A246V163-G165 PolarHBondContact O-N 3.31Å; G165-Y167 PolarHBondContact O-N 3.38Å; G165-I245 CarbonylContact C-O 3.54Å; G165-I245 VanDerWaalsContact CA-O 3.27Å; G165-I245 WeakPolarHBondContact CA-O 3.35Å; G165-A246 WeakPolarHBondContact CA-O 3.17Å
166E78.1Confident65.2Low151 Ų15191.9 Ų91.971%0.70652%0.515SS*.SBendtrans-7654.7-177-60.5-158.6153.900112.4I245E166-I245 HydrophobicContact CB-CG2 4.39Å; E166-I245 PolarHBondContact N-O 3.4Å
167Y84.1Confident67.9Low28 Ų2887.9 Ų87.911%0.1149%0.488CS..PPolyproline II helixtrans-87.6148.1176.9-65.9-61.9000111.8G165 I245 A246 Y581 V584 W585 H588G165-Y167 PolarHBondContact O-N 3.38Å; Y167-I245 HydrophobicContact CD1-CG2 4.27Å; Y167-I245 HydrophobicContact CE1-CG2 3.99Å; Y167-A246 HydrophobicContact CE2-CB 4.4Å; Y167-A246 WeakPolarHBondContact OH-CB 3.42Å; Y167-Y581 HydrophobicContact CD1-CE2 4.41Å; Y167-Y581 HydrophobicContact CE1-CE2 4.45Å; Y167-V584 VanDerWaalsContact OH-CG1 3.25Å; Y167-V584 WeakPolarHBondContact OH-CG1 3.24Å; Y167-W585 VanDerWaalsContact CB-CD1 3.5Å; Y167-W585 HydrophobicContact CD1-CB 3.68Å; Y167-W585 AromaticContact CD1-CD1 3.48Å; Y167-W585 VanDerWaalsContact CD1-CD1 3.48Å; Y167-W585 AromaticContact CD1-CG 3.75Å; Y167-W585 HydrophobicContact CD1-CG 3.75Å; Y167-W585 HydrophobicContact CE1-CB 3.86Å; Y167-W585 HydrophobicContact CE1-CG 4.42Å; Y167-W585 AromaticContact CG-CD1 3.55Å; Y167-W585 HydrophobicContact CG-CG 4.28Å; Y167-H588 HydrophobicContact CD2-CB 4.46Å; Y167-H588 HydrophobicContact CE2-CB 4.14Å
168P85.6Confident70.4Confident60 Ų6088.7 Ų88.739%0.3947%0.473SS..PPolyproline II helixtrans-60.2148.3169.5-19.131000111.4D170 Y581 W585P168-D170 PolarHBondContact O-N 3.43Å; P168-Y581 VanDerWaalsContact CD-OH 3.25Å; P168-Y581 WeakPolarHBondContact CD-OH 3.37Å; P168-W585 HydrophobicContact CB-CH2 4.18Å; P168-W585 HydrophobicContact CB-CZ2 3.78Å; P168-W585 HydrophobicContact CG-CH2 4.26Å; P168-W585 HydrophobicContact CG-CZ2 4.06Å; P168-W585 PolarHBondContact O-NE1 2.9Å
169E82.3Confident72.9Confident194 Ų19494 Ų9491%0.90747%0.468SS*.PPolyproline II helixtrans-59.1128.7170.7-64-173.1152.100109.9
170D86.1Confident75.4Confident34 Ų3488.6 Ų88.618%0.18245%0.454CS..PPolyproline II helixtrans-72.3153.3178.5-176.746.3000111.6P168 F172 R177 H185 Q589P168-D170 PolarHBondContact O-N 3.43Å; D170-F172 PolarHBondContact O-N 2.78Å; D170-F172 PolarHBondContact OD2-N 3.02Å; D170-F172 VanDerWaalsContact OD2-O 3.11Å; D170-R177 IonicContact OD2-NE 3.14Å; D170-R177 PolarHBondContact OD2-NE 3.38Å; D170-H185 IonicContact OD1-CD2 2.98Å; D170-H185 IonicContact OD1-CE1 2.79Å; D170-H185 IonicContact OD1-NE2 3.17Å; D170-H185 PolarHBondContact OD1-NE2 3.34Å; D170-H185 IonicContact OD2-CE1 3.82Å; D170-H185 PolarHBondContact OD2-CE1 3.12Å; D170-H185 IonicContact OD2-NE2 3.45Å; D170-H185 PolarHBondContact OD2-NE2 3.21Å; D170-Q589 HydrophobicContact CB-CG 4.42Å
171I86.3Confident78Confident154 Ų15491.8 Ų91.879%0.7945%0.453SS*.SBendtrans-68.4-23.4179.9-60.4175.1000111.2
172F87.8Confident80.6Confident46 Ų4686.8 Ų86.820%0.20242%0.42CS..SBendtrans-112.7133.6-177.4-55.7-82.6000111.5D170 D176 R177 W181 L184 H185D170-F172 PolarHBondContact O-N 2.78Å; D170-F172 PolarHBondContact OD2-N 3.02Å; D170-F172 VanDerWaalsContact OD2-O 3.11Å; F172-D176 HydrophobicContact CB-CB 4.44Å; F172-R177 HydrophobicContact CB-CG 3.91Å; F172-R177 PolarHBondContact O-NE 3.24Å; F172-W181 HydrophobicContact CD1-CB 3.94Å; F172-W181 AromaticContact CD1-CD2 3.82Å; F172-W181 HydrophobicContact CD1-CD2 3.82Å; F172-W181 HydrophobicContact CD1-CE3 4.06Å; F172-W181 AromaticContact CD1-CG 3.79Å; F172-W181 HydrophobicContact CD1-CG 3.79Å; F172-W181 HydrophobicContact CE1-CB 4.31Å; F172-W181 AromaticContact CE1-CD2 3.45Å; F172-W181 HydrophobicContact CE1-CD2 3.45Å; F172-W181 VanDerWaalsContact CE1-CD2 3.45Å; F172-W181 AromaticContact CE1-CE3 3.27Å; F172-W181 HydrophobicContact CE1-CE3 3.27Å; F172-W181 AromaticContact CE1-CG 3.94Å; F172-W181 HydrophobicContact CE1-CG 3.94Å; F172-W181 HydrophobicContact CE1-CH2 4.26Å; F172-W181 HydrophobicContact CE1-CZ2 4.41Å; F172-W181 AromaticContact CE1-CZ3 3.71Å; F172-W181 HydrophobicContact CE1-CZ3 3.71Å; F172-W181 HydrophobicContact CE2-CE3 4.46Å; F172-W181 HydrophobicContact CG-CB 4.14Å; F172-W181 HydrophobicContact CG-CG 4.48Å; F172-W181 HydrophobicContact CZ-CD2 4.15Å; F172-W181 AromaticContact CZ-CE3 3.51Å; F172-W181 HydrophobicContact CZ-CE3 3.51Å; F172-W181 AromaticContact CZ-CZ3 3.85Å; F172-W181 HydrophobicContact CZ-CZ3 3.85Å; F172-L184 HydrophobicContact CE2-CD1 4.39Å; F172-L184 HydrophobicContact CZ-CD1 4.19Å; F172-H185 AromaticContact CD2-CE1 3.79Å
173S86.6Confident82.6Confident50 Ų5087.3 Ų87.335%0.3543%0.426SS..  trans-66.4163.7172.490.70000111E175 D176 R177S173-E175 VanDerWaalsContact CB-OE2 3.27Å; S173-E175 WeakPolarHBondContact CB-OE2 3.34Å; S173-E175 PolarHBondContact O-N 3.25Å; S173-E175 PolarHBondContact OG-N 3.11Å; S173-E175 PolarHBondContact OG-OE2 2.89Å; S173-D176 PolarHBondContact O-N 3.37Å; S173-D176 VanDerWaalsContact O-N 3.1Å; S173-D176 PolarHBondContact OG-N 3.28Å; S173-R177 PolarHBondContact O-N 3.35Å
174I84.8Confident84.7Confident45 Ų4587.2 Ų87.223%0.23142%0.421CS..Hα-helixtrans-58.7-36.1176.8-60170.4000110.5R178 E592I174-R178 HydrophobicContact CG2-CG 4.48Å; I174-R178 VanDerWaalsContact O-CB 3.3Å; I174-R178 WeakPolarHBondContact O-CB 3.17Å; I174-R178 VanDerWaalsContact O-CG 3.24Å; I174-R178 WeakPolarHBondContact O-CG 3.45Å; I174-R178 PolarHBondContact O-N 3.43Å; I174-E592 HydrophobicContact CD1-CG 4.28Å
175E86.1Confident86.4Confident110 Ų11080.7 Ų80.751%0.51439%0.393SS..Hα-helixtrans-65.3-41.8176-59.168.4-147.300112S173 R178 R179S173-E175 VanDerWaalsContact CB-OE2 3.27Å; S173-E175 WeakPolarHBondContact CB-OE2 3.34Å; S173-E175 PolarHBondContact O-N 3.25Å; S173-E175 PolarHBondContact OG-N 3.11Å; S173-E175 PolarHBondContact OG-OE2 2.89Å; E175-R178 PolarHBondContact O-N 3.05Å; E175-R179 WeakPolarHBondContact O-CD 3.42Å; E175-R179 WeakPolarHBondContact O-CG 3.49Å; E175-R179 PolarHBondContact O-N 2.68Å
176D89.1Confident87.8Confident51 Ų5183 Ų8327%0.27340%0.402SS..Hα-helixtrans-73.2-40.3177.8-75.5-27.9000111.6F172 S173 R178 R179 G180 W181F172-D176 HydrophobicContact CB-CB 4.44Å; S173-D176 PolarHBondContact O-N 3.37Å; S173-D176 VanDerWaalsContact O-N 3.1Å; S173-D176 PolarHBondContact OG-N 3.28Å; D176-R178 VanDerWaalsContact C-N 3.31Å; D176-R178 PolarHBondContact O-N 3.1Å; D176-R179 WeakPolarHBondContact O-CB 3.49Å; D176-R179 PolarHBondContact O-N 2.64Å; D176-R179 VanDerWaalsContact OD1-CD 3.31Å; D176-R179 WeakPolarHBondContact OD1-CD 3.25Å; D176-R179 IonicContact OD1-CZ 3.49Å; D176-R179 IonicContact OD1-NE 2.95Å; D176-R179 IonicContact OD1-NH1 3.57Å; D176-R179 PolarHBondContact OD1-NH1 3.46Å; D176-G180 PolarHBondContact O-N 3.26Å; D176-W181 WeakPolarHBondContact O-CB 3.4Å; D176-W181 VanDerWaalsContact O-CD1 3.23Å; D176-W181 PolarHBondContact O-N 3.05Å
177R91.1Very high88.5Confident11 Ų1179.4 Ų79.44%0.04239%0.391CS..Iπ-helixtrans-54.1-48.1168.4-76.1-172.9-91.9132.7-7111D170 F172 S173 R179 G180 W181 V182 Q589 E592 T593D170-R177 IonicContact OD2-NE 3.14Å; D170-R177 PolarHBondContact OD2-NE 3.38Å; F172-R177 HydrophobicContact CB-CG 3.91Å; F172-R177 PolarHBondContact O-NE 3.24Å; S173-R177 PolarHBondContact O-N 3.35Å; R177-R179 VanDerWaalsContact C-N 3.3Å; R177-R179 PolarHBondContact O-N 3.02Å; R177-G180 PolarHBondContact O-N 3.4Å; R177-G180 VanDerWaalsContact O-N 3.08Å; R177-W181 PolarHBondContact O-N 3.18Å; R177-V182 HydrophobicContact CB-CB 4.19Å; R177-V182 WeakPolarHBondContact O-CB 3.42Å; R177-V182 VanDerWaalsContact O-CG1 3.32Å; R177-V182 WeakPolarHBondContact O-CG1 3.44Å; R177-V182 PolarHBondContact O-N 3.18Å; R177-Q589 PolarHBondContact NH1-O 2.98Å; R177-Q589 VanDerWaalsContact NH1-O 3.1Å; R177-E592 IonicContact CZ-OE2 3.64Å; R177-E592 VanDerWaalsContact CZ-OE2 3.27Å; R177-E592 IonicContact NH1-OE2 2.74Å; R177-E592 PolarHBondContact NH1-OE2 2.82Å; R177-E592 IonicContact NH2-OE2 2.64Å; R177-E592 PolarHBondContact NH2-OE2 3.06Å; R177-T593 HydrophobicContact CB-CG2 3.81Å; R177-T593 WeakPolarHBondContact CB-OG1 3.24Å; R177-T593 PolarHBondContact NH1-OG1 3.29Å
178R88.8Confident88.9Confident157 Ų15778.5 Ų78.559%0.59239%0.39SS*.Iπ-helixtrans-66.8-20.1175.6-73.3179178154.96.1114.9I174 E175 D176 G180 E592 T593I174-R178 HydrophobicContact CG2-CG 4.48Å; I174-R178 VanDerWaalsContact O-CB 3.3Å; I174-R178 WeakPolarHBondContact O-CB 3.17Å; I174-R178 VanDerWaalsContact O-CG 3.24Å; I174-R178 WeakPolarHBondContact O-CG 3.45Å; I174-R178 PolarHBondContact O-N 3.43Å; E175-R178 PolarHBondContact O-N 3.05Å; D176-R178 VanDerWaalsContact C-N 3.31Å; D176-R178 PolarHBondContact O-N 3.1Å; R178-G180 VanDerWaalsContact C-N 3.27Å; R178-E592 PolarHBondContact NH2-O 3.42Å; R178-T593 HydrophobicContact CB-CG2 4.46Å; R178-T593 HydrophobicContact CG-CG2 3.61Å; R178-T593 PolarHBondContact NE-O 3.33Å; R178-T593 PolarHBondContact NH2-O 3.24Å
179R89.1Confident89.2Confident192 Ų19275.9 Ų75.973%0.72537%0.373SS*.Iπ-helixtrans-79.4-5.8171.3-75159.7176.8176.1-0.2113.7E175 D176 R177E175-R179 WeakPolarHBondContact O-CD 3.42Å; E175-R179 WeakPolarHBondContact O-CG 3.49Å; E175-R179 PolarHBondContact O-N 2.68Å; D176-R179 WeakPolarHBondContact O-CB 3.49Å; D176-R179 PolarHBondContact O-N 2.64Å; D176-R179 VanDerWaalsContact OD1-CD 3.31Å; D176-R179 WeakPolarHBondContact OD1-CD 3.25Å; D176-R179 IonicContact OD1-CZ 3.49Å; D176-R179 IonicContact OD1-NE 2.95Å; D176-R179 IonicContact OD1-NH1 3.57Å; D176-R179 PolarHBondContact OD1-NH1 3.46Å; R177-R179 VanDerWaalsContact C-N 3.3Å; R177-R179 PolarHBondContact O-N 3.02Å
180G88.2Confident89.6Confident42 Ų4271 Ų7143%0.43335%0.351SS..Iπ-helixtrans127.5-11.7175.300000114.5D176 R177 R178 V182 L183D176-G180 PolarHBondContact O-N 3.26Å; R177-G180 PolarHBondContact O-N 3.4Å; R177-G180 VanDerWaalsContact O-N 3.08Å; R178-G180 VanDerWaalsContact C-N 3.27Å; G180-V182 PolarHBondContact O-N 2.71Å; G180-V182 VanDerWaalsContact O-N 3.16Å; G180-L183 WeakPolarHBondContact O-CB 3.41Å; G180-L183 PolarHBondContact O-N 3.08Å; G180-L183 VanDerWaalsContact O-N 3.08Å
181W89.9Confident89.9Confident127 Ų12771.4 Ų71.448%0.48135%0.35SS..Iπ-helixtrans-64-20.3179.5-69.899.1000113.1F172 D176 R177 L183 L184F172-W181 HydrophobicContact CD1-CB 3.94Å; F172-W181 AromaticContact CD1-CD2 3.82Å; F172-W181 HydrophobicContact CD1-CD2 3.82Å; F172-W181 HydrophobicContact CD1-CE3 4.06Å; F172-W181 AromaticContact CD1-CG 3.79Å; F172-W181 HydrophobicContact CD1-CG 3.79Å; F172-W181 HydrophobicContact CE1-CB 4.31Å; F172-W181 AromaticContact CE1-CD2 3.45Å; F172-W181 HydrophobicContact CE1-CD2 3.45Å; F172-W181 VanDerWaalsContact CE1-CD2 3.45Å; F172-W181 AromaticContact CE1-CE3 3.27Å; F172-W181 HydrophobicContact CE1-CE3 3.27Å; F172-W181 AromaticContact CE1-CG 3.94Å; F172-W181 HydrophobicContact CE1-CG 3.94Å; F172-W181 HydrophobicContact CE1-CH2 4.26Å; F172-W181 HydrophobicContact CE1-CZ2 4.41Å; F172-W181 AromaticContact CE1-CZ3 3.71Å; F172-W181 HydrophobicContact CE1-CZ3 3.71Å; F172-W181 HydrophobicContact CE2-CE3 4.46Å; F172-W181 HydrophobicContact CG-CB 4.14Å; F172-W181 HydrophobicContact CG-CG 4.48Å; F172-W181 HydrophobicContact CZ-CD2 4.15Å; F172-W181 AromaticContact CZ-CE3 3.51Å; F172-W181 HydrophobicContact CZ-CE3 3.51Å; F172-W181 AromaticContact CZ-CZ3 3.85Å; F172-W181 HydrophobicContact CZ-CZ3 3.85Å; D176-W181 WeakPolarHBondContact O-CB 3.4Å; D176-W181 VanDerWaalsContact O-CD1 3.23Å; D176-W181 PolarHBondContact O-N 3.05Å; R177-W181 PolarHBondContact O-N 3.18Å; W181-L183 PolarHBondContact O-N 3.04Å; W181-L183 VanDerWaalsContact O-N 3.08Å; W181-L184 HydrophobicContact CE3-CD1 3.65Å; W181-L184 HydrophobicContact CE3-CG 4.4Å; W181-L184 HydrophobicContact CZ3-CD1 3.89Å; W181-L184 WeakPolarHBondContact O-CB 3.28Å; W181-L184 PolarHBondContact O-N 2.87Å
182V90.9Very high90.2Very high23 Ų2364.4 Ų64.414%0.13932%0.315CS..Hα-helixtrans-55.4-23.3171.269.10000113.6R177 G180 L184 H185 I186 V590 T593R177-V182 HydrophobicContact CB-CB 4.19Å; R177-V182 WeakPolarHBondContact O-CB 3.42Å; R177-V182 VanDerWaalsContact O-CG1 3.32Å; R177-V182 WeakPolarHBondContact O-CG1 3.44Å; R177-V182 PolarHBondContact O-N 3.18Å; G180-V182 PolarHBondContact O-N 2.71Å; G180-V182 VanDerWaalsContact O-N 3.16Å; V182-L184 PolarHBondContact O-N 3.05Å; V182-H185 PolarHBondContact O-N 3.1Å; V182-H185 VanDerWaalsContact O-N 3.1Å; V182-I186 HydrophobicContact CG2-CD1 4.38Å; V182-I186 HydrophobicContact CG2-CG1 4.49Å; V182-I186 WeakPolarHBondContact O-CG1 3.21Å; V182-I186 PolarHBondContact O-N 3.12Å; V182-V590 HydrophobicContact CG2-CG2 4.07Å; V182-T593 HydrophobicContact CB-CG2 3.93Å; V182-T593 HydrophobicContact CG1-CG2 4.27Å; V182-T593 HydrophobicContact CG2-CG2 3.89Å
183L91.9Very high90.4Very high109 Ų10963 Ų6357%0.57131%0.308SS*.Hα-helixtrans-60.3-30.7174.1-174.861.6000111.9G180 W181 I186 V187G180-L183 WeakPolarHBondContact O-CB 3.41Å; G180-L183 PolarHBondContact O-N 3.08Å; G180-L183 VanDerWaalsContact O-N 3.08Å; W181-L183 PolarHBondContact O-N 3.04Å; W181-L183 VanDerWaalsContact O-N 3.08Å; L183-I186 PolarHBondContact O-N 3.01Å; L183-V187 HydrophobicContact CD1-CG2 4.49Å; L183-V187 WeakPolarHBondContact O-CB 3.47Å; L183-V187 VanDerWaalsContact O-CG2 3.29Å; L183-V187 WeakPolarHBondContact O-CG2 3.36Å; L183-V187 PolarHBondContact O-N 2.93Å
184L92.6Very high90.6Very high95 Ų9563.8 Ų63.850%0.49731%0.311SS..Hα-helixtrans-68.9-40.6174-61.6-172.1000111.9F172 W181 V182 I186 V187 G188F172-L184 HydrophobicContact CE2-CD1 4.39Å; F172-L184 HydrophobicContact CZ-CD1 4.19Å; W181-L184 HydrophobicContact CE3-CD1 3.65Å; W181-L184 HydrophobicContact CE3-CG 4.4Å; W181-L184 HydrophobicContact CZ3-CD1 3.89Å; W181-L184 WeakPolarHBondContact O-CB 3.28Å; W181-L184 PolarHBondContact O-N 2.87Å; V182-L184 PolarHBondContact O-N 3.05Å; L184-I186 VanDerWaalsContact C-N 3.35Å; L184-V187 PolarHBondContact O-N 2.97Å; L184-G188 PolarHBondContact O-N 2.86Å
185H92.4Very high90.9Very high7 Ų761.7 Ų61.73%0.03230%0.3CS..Hα-helixtrans-65.8-37.1174.3-58.591.2000111.8D170 F172 V182 G188 M189 W586 V590D170-H185 IonicContact OD1-CD2 2.98Å; D170-H185 IonicContact OD1-CE1 2.79Å; D170-H185 IonicContact OD1-NE2 3.17Å; D170-H185 PolarHBondContact OD1-NE2 3.34Å; D170-H185 IonicContact OD2-CE1 3.82Å; D170-H185 PolarHBondContact OD2-CE1 3.12Å; D170-H185 IonicContact OD2-NE2 3.45Å; D170-H185 PolarHBondContact OD2-NE2 3.21Å; F172-H185 AromaticContact CD2-CE1 3.79Å; V182-H185 PolarHBondContact O-N 3.1Å; V182-H185 VanDerWaalsContact O-N 3.1Å; H185-G188 PolarHBondContact O-N 2.97Å; H185-M189 VanDerWaalsContact O-CB 3.26Å; H185-M189 WeakPolarHBondContact O-CB 3.31Å; H185-M189 PolarHBondContact O-N 2.95Å; H185-W586 AromaticContact CD2-CD1 3.87Å; H185-V590 HydrophobicContact CB-CG2 3.75Å
186I92.3Very high91.1Very high56 Ų5656.6 Ų56.629%0.28728%0.276SS..Hα-helixtrans-65.5-48174.4-65.7168.2000110.9V182 L183 L184 G188 M189 M190 V590V182-I186 HydrophobicContact CG2-CD1 4.38Å; V182-I186 HydrophobicContact CG2-CG1 4.49Å; V182-I186 WeakPolarHBondContact O-CG1 3.21Å; V182-I186 PolarHBondContact O-N 3.12Å; L183-I186 PolarHBondContact O-N 3.01Å; L184-I186 VanDerWaalsContact C-N 3.35Å; I186-G188 VanDerWaalsContact C-N 3.33Å; I186-G188 PolarHBondContact O-N 3.28Å; I186-M189 PolarHBondContact O-N 3.46Å; I186-M190 WeakPolarHBondContact O-CG 3.48Å; I186-M190 PolarHBondContact O-N 3.14Å; I186-V590 HydrophobicContact CG1-CG1 4.11Å; I186-V590 HydrophobicContact CG1-CG2 3.72Å
187V92.8Very high91.1Very high77 Ų7755.1 Ų55.147%0.46727%0.271SS..Hα-helixtrans-63.1-40.3176.7169.40000111.1L183 L184 M190 Y191L183-V187 HydrophobicContact CD1-CG2 4.49Å; L183-V187 WeakPolarHBondContact O-CB 3.47Å; L183-V187 VanDerWaalsContact O-CG2 3.29Å; L183-V187 WeakPolarHBondContact O-CG2 3.36Å; L183-V187 PolarHBondContact O-N 2.93Å; L184-V187 PolarHBondContact O-N 2.97Å; V187-M190 PolarHBondContact O-N 3.09Å; V187-Y191 WeakPolarHBondContact O-CB 3.29Å; V187-Y191 PolarHBondContact O-N 2.8Å
188G92.5Very high90.8Very high9 Ų956 Ų569%0.09328%0.277CS..Hα-helixtrans-61.7-45.1173.400000112.6L184 H185 I186 M190 Y191 M192 W586L184-G188 PolarHBondContact O-N 2.86Å; H185-G188 PolarHBondContact O-N 2.97Å; I186-G188 VanDerWaalsContact C-N 3.33Å; I186-G188 PolarHBondContact O-N 3.28Å; G188-M190 PolarHBondContact O-N 3.36Å; G188-Y191 CarbonylContact O-C 3.59Å; G188-Y191 WeakPolarHBondContact O-CB 3.1Å; G188-Y191 PolarHBondContact O-N 3.16Å; G188-Y191 VanDerWaalsContact O-N 3.16Å; G188-M192 WeakPolarHBondContact O-CG 3.41Å; G188-M192 PolarHBondContact O-N 3.15Å; G188-W586 VanDerWaalsContact O-CZ3 3.29Å; G188-W586 WeakPolarHBondContact O-CZ3 3.45Å
189M92.1Very high90.9Very high5 Ų548.5 Ų48.53%0.02525%0.248CC..Hα-helixtrans-60.8-44.3176.4-177.1179.267.600111.5H185 I186 Y191 M192 F193 W586 A587 M601 I605H185-M189 VanDerWaalsContact O-CB 3.26Å; H185-M189 WeakPolarHBondContact O-CB 3.31Å; H185-M189 PolarHBondContact O-N 2.95Å; I186-M189 PolarHBondContact O-N 3.46Å; M189-Y191 VanDerWaalsContact C-N 3.34Å; M189-Y191 PolarHBondContact O-N 3.01Å; M189-M192 PolarHBondContact O-N 3.34Å; M189-F193 HydrophobicContact CG-CD2 4.3Å; M189-F193 HydrophobicContact CG-CE2 3.67Å; M189-F193 HydrophobicContact CG-CZ 4.27Å; M189-F193 VanDerWaalsContact O-CD2 3.24Å; M189-F193 WeakPolarHBondContact O-CD2 3.49Å; M189-F193 PolarHBondContact O-N 2.96Å; M189-F193 HydrophobicContact SD-CE2 4.34Å; M189-W586 HydrophobicContact CB-CB 4.46Å; M189-A587 HydrophobicContact SD-CB 3.67Å; M189-M601 HydrophobicContact SD-CE 4.47Å; M189-I605 HydrophobicContact CE-CG2 3.68Å; M189-I605 HydrophobicContact SD-CG2 4.05Å
190M90.8Very high91Very high91 Ų9139.4 Ų39.445%0.44821%0.214SC..Hα-helixtrans-60.1-42.4172.3-66.9-61.9107.300112.3I186 V187 G188 M192 F193 V194I186-M190 WeakPolarHBondContact O-CG 3.48Å; I186-M190 PolarHBondContact O-N 3.14Å; V187-M190 PolarHBondContact O-N 3.09Å; G188-M190 PolarHBondContact O-N 3.36Å; M190-M192 VanDerWaalsContact C-N 3.31Å; M190-M192 PolarHBondContact O-N 3.14Å; M190-F193 HydrophobicContact CE-CD2 3.64Å; M190-F193 HydrophobicContact CE-CE2 3.61Å; M190-F193 PolarHBondContact O-N 2.93Å; M190-F193 HydrophobicContact SD-CD2 4.42Å; M190-V194 PolarHBondContact O-N 3.32Å; M190-V194 VanDerWaalsContact O-N 3.1Å
191Y91.8Very high90.8Very high42 Ų4240.2 Ų40.217%0.16521%0.209CC..Hα-helixtrans-63.9-33.6176.5-171.5-112.7000112.4V187 G188 M189 S195 F541 P544 I545V187-Y191 WeakPolarHBondContact O-CB 3.29Å; V187-Y191 PolarHBondContact O-N 2.8Å; G188-Y191 CarbonylContact O-C 3.59Å; G188-Y191 WeakPolarHBondContact O-CB 3.1Å; G188-Y191 PolarHBondContact O-N 3.16Å; G188-Y191 VanDerWaalsContact O-N 3.16Å; M189-Y191 VanDerWaalsContact C-N 3.34Å; M189-Y191 PolarHBondContact O-N 3.01Å; Y191-S195 WeakPolarHBondContact O-CB 3.48Å; Y191-S195 PolarHBondContact O-N 3.37Å; Y191-S195 PolarHBondContact O-OG 3.48Å; Y191-F541 HydrophobicContact CD2-CD1 4.41Å; Y191-F541 AromaticContact CD2-CE1 3.59Å; Y191-F541 HydrophobicContact CD2-CE1 3.59Å; Y191-F541 HydrophobicContact CD2-CE2 4.19Å; Y191-F541 AromaticContact CD2-CZ 3.45Å; Y191-F541 HydrophobicContact CD2-CZ 3.45Å; Y191-F541 VanDerWaalsContact CD2-CZ 3.45Å; Y191-F541 HydrophobicContact CE2-CD1 4.19Å; Y191-F541 AromaticContact CE2-CE1 3.8Å; Y191-F541 HydrophobicContact CE2-CE1 3.8Å; Y191-F541 HydrophobicContact CE2-CE2 4.21Å; Y191-F541 AromaticContact CE2-CZ 3.82Å; Y191-F541 HydrophobicContact CE2-CZ 3.82Å; Y191-F541 WeakPolarHBondContact CE2-O 3.44Å; Y191-F541 HydrophobicContact CG-CZ 4.5Å; Y191-F541 PolarHBondContact OH-O 3.41Å; Y191-P544 WeakPolarHBondContact OH-CB 3.48Å; Y191-I545 HydrophobicContact CD1-CD1 4.2Å; Y191-I545 HydrophobicContact CD2-CD1 3.95Å; Y191-I545 HydrophobicContact CE1-CD1 3.7Å; Y191-I545 HydrophobicContact CE1-CG1 3.77Å; Y191-I545 HydrophobicContact CE2-CD1 3.44Å; Y191-I545 VanDerWaalsContact CE2-CD1 3.44Å; Y191-I545 HydrophobicContact CE2-CG1 4.26Å; Y191-I545 HydrophobicContact CG-CD1 4.31Å; Y191-I545 WeakPolarHBondContact OH-CG1 3.4Å
192M93.4Very high90.5Very high8 Ų836.4 Ų36.44%0.03920%0.196CC..Hα-helixtrans-71.9-37.2173-67.9-63.59800113.2G188 M189 M190 S195 L196 F579 L582 M583 W586G188-M192 WeakPolarHBondContact O-CG 3.41Å; G188-M192 PolarHBondContact O-N 3.15Å; M189-M192 PolarHBondContact O-N 3.34Å; M190-M192 VanDerWaalsContact C-N 3.31Å; M190-M192 PolarHBondContact O-N 3.14Å; M192-S195 WeakPolarHBondContact CE-OG 3.38Å; M192-S195 WeakPolarHBondContact O-CB 3.46Å; M192-S195 PolarHBondContact O-N 3.23Å; M192-L196 WeakPolarHBondContact O-CG 3.44Å; M192-L196 PolarHBondContact O-N 3.38Å; M192-F579 HydrophobicContact CE-CD1 4.19Å; M192-F579 HydrophobicContact CE-CE1 4.47Å; M192-F579 HydrophobicContact SD-CB 4.24Å; M192-F579 HydrophobicContact SD-CD1 3.69Å; M192-F579 HydrophobicContact SD-CG 4.32Å; M192-L582 HydrophobicContact CG-CB 4.06Å; M192-L582 HydrophobicContact SD-CB 3.68Å; M192-L582 HydrophobicContact SD-CD1 3.83Å; M192-L582 HydrophobicContact SD-CG 4.41Å; M192-M583 HydrophobicContact CB-CB 3.91Å; M192-M583 HydrophobicContact CB-CG 4.44Å; M192-W586 HydrophobicContact CE-CZ3 4.27Å; M192-W586 HydrophobicContact CG-CE3 3.78Å; M192-W586 HydrophobicContact CG-CZ3 3.64Å; M192-W586 HydrophobicContact SD-CZ3 4.32Å
193F91.7Very high90.5Very high17 Ų1735.4 Ų35.48%0.07519%0.19CC..Hα-helixtrans-60.8-44.3171.7-69.7-58.5000111.5M189 M190 S195 L196 A197 M583 I605 G609 T610M189-F193 HydrophobicContact CG-CD2 4.3Å; M189-F193 HydrophobicContact CG-CE2 3.67Å; M189-F193 HydrophobicContact CG-CZ 4.27Å; M189-F193 VanDerWaalsContact O-CD2 3.24Å; M189-F193 WeakPolarHBondContact O-CD2 3.49Å; M189-F193 PolarHBondContact O-N 2.96Å; M189-F193 HydrophobicContact SD-CE2 4.34Å; M190-F193 HydrophobicContact CE-CD2 3.64Å; M190-F193 HydrophobicContact CE-CE2 3.61Å; M190-F193 PolarHBondContact O-N 2.93Å; M190-F193 HydrophobicContact SD-CD2 4.42Å; F193-S195 VanDerWaalsContact C-N 3.31Å; F193-S195 PolarHBondContact O-N 3.33Å; F193-L196 PolarHBondContact O-N 3.19Å; F193-A197 PolarHBondContact O-N 3.01Å; F193-M583 HydrophobicContact CD1-CG 4.28Å; F193-M583 HydrophobicContact CD1-SD 3.52Å; F193-M583 VanDerWaalsContact CD1-SD 3.52Å; F193-M583 HydrophobicContact CE1-CE 4.38Å; F193-M583 HydrophobicContact CE1-CG 3.9Å; F193-M583 HydrophobicContact CE1-SD 3.2Å; F193-M583 WeakPolarHBondContact CE1-SD 3.21Å; F193-M583 HydrophobicContact CZ-CG 4.16Å; F193-M583 HydrophobicContact CZ-SD 4.02Å; F193-I605 HydrophobicContact CE2-CG2 4.43Å; F193-I605 HydrophobicContact CZ-CG2 4.47Å; F193-I605 WeakPolarHBondContact CZ-O 3.5Å; F193-G609 WeakPolarHBondContact CD1-O 3.22Å; F193-G609 VanDerWaalsContact CE1-C 3.46Å; F193-G609 VanDerWaalsContact CE1-CA 3.43Å; F193-T610 HydrophobicContact CE1-CG2 4.31Å
194V89.9Confident90.5Very high66 Ų6630.9 Ų30.940%0.417%0.165SC..Hα-helixtrans-63.1-37.6173.6175.90000111.5M190 I198 L542M190-V194 PolarHBondContact O-N 3.32Å; M190-V194 VanDerWaalsContact O-N 3.1Å; V194-I198 HydrophobicContact CG1-CD1 3.9Å; V194-I198 VanDerWaalsContact O-CG1 3.29Å; V194-I198 WeakPolarHBondContact O-CG1 3.41Å; V194-I198 PolarHBondContact O-N 3.11Å; V194-I198 VanDerWaalsContact O-N 3.11Å; V194-L542 HydrophobicContact CG1-CD2 3.8Å
195S90.8Very high90.3Very high0 Ų027.7 Ų27.70%015%0.15CC..Hα-helixtrans-62.3-42.5174.7-54.70000112.3Y191 M192 F193 V199 I545Y191-S195 WeakPolarHBondContact O-CB 3.48Å; Y191-S195 PolarHBondContact O-N 3.37Å; Y191-S195 PolarHBondContact O-OG 3.48Å; M192-S195 WeakPolarHBondContact CE-OG 3.38Å; M192-S195 WeakPolarHBondContact O-CB 3.46Å; M192-S195 PolarHBondContact O-N 3.23Å; F193-S195 VanDerWaalsContact C-N 3.31Å; F193-S195 PolarHBondContact O-N 3.33Å; S195-V199 WeakPolarHBondContact O-CG2 3.34Å; S195-V199 PolarHBondContact O-N 3.3Å; S195-V199 VanDerWaalsContact O-N 3.13Å; S195-I545 WeakPolarHBondContact OG-CD1 3.3Å; S195-I545 WeakPolarHBondContact OG-CG1 3.27Å
196L90.9Very high90.1Very high3 Ų328.9 Ų28.92%0.01616%0.158CC..Hα-helixtrans-66.8-46.9178.6-76.2162.6000111.6M192 F193 I198 V199 C200 P234 I576 F579 M583M192-L196 WeakPolarHBondContact O-CG 3.44Å; M192-L196 PolarHBondContact O-N 3.38Å; F193-L196 PolarHBondContact O-N 3.19Å; L196-I198 PolarHBondContact O-N 3.39Å; L196-V199 PolarHBondContact O-N 3.48Å; L196-C200 WeakPolarHBondContact O-CB 3.42Å; L196-C200 PolarHBondContact O-N 2.9Å; L196-C200 PolarHBondContact O-SG 3.16Å; L196-P234 HydrophobicContact CB-CG 4.36Å; L196-P234 HydrophobicContact CD1-CB 4.32Å; L196-P234 HydrophobicContact CD2-CB 4.19Å; L196-P234 HydrophobicContact CD2-CG 4.3Å; L196-I576 HydrophobicContact CD2-CB 4.34Å; L196-I576 HydrophobicContact CD2-CG2 3.89Å; L196-F579 HydrophobicContact CD2-CB 3.76Å; L196-F579 HydrophobicContact CG-CB 3.8Å; L196-M583 HydrophobicContact CD1-CB 4.43Å; L196-M583 HydrophobicContact CD1-CE 4.38Å; L196-M583 HydrophobicContact CD1-CG 4.48Å; L196-M583 HydrophobicContact CD1-SD 3.38Å; L196-M583 WeakPolarHBondContact CD1-SD 3.49Å
197A88.3Confident90Very high21 Ų2126.2 Ų26.217%0.17415%0.145CC..Hα-helixtrans-52.4-52.5174.600000111.5F193 V199 C200 D201 P613F193-A197 PolarHBondContact O-N 3.01Å; A197-V199 PolarHBondContact O-N 3.18Å; A197-C200 PolarHBondContact O-N 3.45Å; A197-D201 PolarHBondContact O-N 3.44Å; A197-P613 HydrophobicContact CB-CG 3.69Å
198I86.8Confident89.9Confident29 Ų2923 Ų2315%0.14913%0.125CC..Hα-helixtrans-57.8-44.1178.3-69.7168000111.6V194 L196 E202 L542 L549V194-I198 HydrophobicContact CG1-CD1 3.9Å; V194-I198 VanDerWaalsContact O-CG1 3.29Å; V194-I198 WeakPolarHBondContact O-CG1 3.41Å; V194-I198 PolarHBondContact O-N 3.11Å; V194-I198 VanDerWaalsContact O-N 3.11Å; L196-I198 PolarHBondContact O-N 3.39Å; I198-E202 HydrophobicContact CG2-CG 4.29Å; I198-E202 WeakPolarHBondContact O-CB 3.47Å; I198-E202 WeakPolarHBondContact O-CG 3.24Å; I198-E202 PolarHBondContact O-N 2.99Å; I198-L542 HydrophobicContact CD1-CD1 4.3Å; I198-L542 HydrophobicContact CD1-CD2 4.03Å; I198-L549 HydrophobicContact CG2-CD1 4.07Å
199V90.9Very high89.7Confident0 Ų023.8 Ų23.80%013%0.133CC..Hα-helixtrans-70.8-36.3180-179.10000112.5S195 L196 A197 F203 F204 L549 W575 I576 F579S195-V199 WeakPolarHBondContact O-CG2 3.34Å; S195-V199 PolarHBondContact O-N 3.3Å; S195-V199 VanDerWaalsContact O-N 3.13Å; L196-V199 PolarHBondContact O-N 3.48Å; A197-V199 PolarHBondContact O-N 3.18Å; V199-F203 PolarHBondContact O-N 2.96Å; V199-F204 WeakPolarHBondContact O-CB 3.25Å; V199-F204 PolarHBondContact O-N 3.48Å; V199-L549 HydrophobicContact CG2-CD1 3.58Å; V199-L549 HydrophobicContact CG2-CD2 3.57Å; V199-L549 HydrophobicContact CG2-CG 4.23Å; V199-W575 HydrophobicContact CG1-CB 4.17Å; V199-W575 HydrophobicContact CG2-CB 4.21Å; V199-I576 HydrophobicContact CB-CG1 4.18Å; V199-I576 HydrophobicContact CG1-CD1 4.13Å; V199-I576 HydrophobicContact CG1-CG1 3.65Å; V199-F579 HydrophobicContact CG2-CD2 3.97Å; V199-F579 HydrophobicContact CG2-CE2 3.65Å
200C89.4Confident89.5Confident1 Ų124 Ų241%0.00713%0.134CC..Iπ-helixtrans-64.6-56.8176.2-73.60000111.2L196 A197 F204 V205 P234L196-C200 WeakPolarHBondContact O-CB 3.42Å; L196-C200 PolarHBondContact O-N 2.9Å; L196-C200 PolarHBondContact O-SG 3.16Å; A197-C200 PolarHBondContact O-N 3.45Å; C200-F204 WeakPolarHBondContact O-CB 3.42Å; C200-F204 PolarHBondContact O-N 3.38Å; C200-V205 WeakPolarHBondContact O-CB 3.25Å; C200-V205 WeakPolarHBondContact O-CG2 3.49Å; C200-V205 PolarHBondContact O-N 3.13Å; C200-P234 VanDerWaalsContact SG-CG 3.57Å
201D84.9Confident89.5Confident59 Ų5921 Ų2132%0.31612%0.12SC..Iπ-helixtrans-80.9-38.1-167.9-60.8-27.4000113A197 P206A197-D201 PolarHBondContact O-N 3.44Å; D201-P206 WeakPolarHBondContact O-CD 3.49Å; D201-P206 WeakPolarHBondContact O-CG 3.09Å
202E84.6Confident89.3Confident46 Ų4619.6 Ų19.622%0.21512%0.116CC..Iπ-helixtrans-84.9-24.5-176.1-62.3-82.292.300113.4I198 L525 R557I198-E202 HydrophobicContact CG2-CG 4.29Å; I198-E202 WeakPolarHBondContact O-CB 3.47Å; I198-E202 WeakPolarHBondContact O-CG 3.24Å; I198-E202 PolarHBondContact O-N 2.99Å; E202-L525 WeakPolarHBondContact OE2-CD1 3.39Å; E202-R557 VanDerWaalsContact CD-NH2 3.33Å; E202-R557 IonicContact OE1-CZ 3.05Å; E202-R557 IonicContact OE1-NH1 2.96Å; E202-R557 PolarHBondContact OE1-NH1 3.42Å; E202-R557 IonicContact OE1-NH2 3.48Å; E202-R557 IonicContact OE2-CZ 2.79Å; E202-R557 IonicContact OE2-NH1 3.01Å; E202-R557 PolarHBondContact OE2-NH1 3.44Å; E202-R557 VanDerWaalsContact OE2-NH1 3.15Å; E202-R557 IonicContact OE2-NH2 3.31Å; E202-R557 PolarHBondContact OE2-NH2 2.89Å
203F89.5Confident89Confident2 Ų222.5 Ų22.51%0.00913%0.131CC..Iπ-helixtrans-126.8-48.9-171.2-62.7-88.9000114V199 A207 L525 L549 V553 D555 T568V199-F203 PolarHBondContact O-N 2.96Å; F203-A207 VanDerWaalsContact O-CB 3.25Å; F203-A207 WeakPolarHBondContact O-CB 3.48Å; F203-A207 PolarHBondContact O-N 3.49Å; F203-L525 HydrophobicContact CE2-CD2 4.2Å; F203-L525 HydrophobicContact CZ-CD2 3.87Å; F203-L549 HydrophobicContact CE2-CB 4.36Å; F203-L549 HydrophobicContact CE2-CD1 4.24Å; F203-L549 HydrophobicContact CZ-CB 4.31Å; F203-V553 HydrophobicContact CB-CG1 4.31Å; F203-V553 HydrophobicContact CD1-CB 4.11Å; F203-V553 HydrophobicContact CD1-CG1 3.54Å; F203-V553 HydrophobicContact CE1-CB 4.23Å; F203-V553 HydrophobicContact CE1-CG1 4.15Å; F203-V553 HydrophobicContact CG-CG1 4.15Å; F203-D555 HydrophobicContact CE1-CB 4.25Å; F203-T568 HydrophobicContact CB-CG2 4.45Å; F203-T568 HydrophobicContact CD1-CG2 4.47Å
204F91.4Very high88.8Confident14 Ų1428.4 Ų28.46%0.06116%0.157CC..Iπ-helixtrans-77.2-52.2-172.3-172.1-126.6000112.9V199 C200 A207 L208 A233 F569 S572 I573 I576V199-F204 WeakPolarHBondContact O-CB 3.25Å; V199-F204 PolarHBondContact O-N 3.48Å; C200-F204 WeakPolarHBondContact O-CB 3.42Å; C200-F204 PolarHBondContact O-N 3.38Å; F204-A207 PolarHBondContact O-N 3.2Å; F204-A207 VanDerWaalsContact O-N 3.16Å; F204-L208 HydrophobicContact CD1-CD1 3.72Å; F204-L208 HydrophobicContact CD2-CD1 4.32Å; F204-L208 HydrophobicContact CE1-CD1 3.54Å; F204-L208 HydrophobicContact CE2-CD1 4.2Å; F204-L208 HydrophobicContact CG-CD1 4.12Å; F204-L208 HydrophobicContact CZ-CD1 3.82Å; F204-L208 HydrophobicContact CZ-CG 4.48Å; F204-L208 WeakPolarHBondContact O-CG 3.37Å; F204-L208 PolarHBondContact O-N 3.42Å; F204-A233 HydrophobicContact CD1-CB 3.91Å; F204-A233 HydrophobicContact CE1-CB 3.54Å; F204-A233 HydrophobicContact CZ-CB 4.39Å; F204-F569 AromaticContact CD2-CD2 3.91Å; F204-F569 HydrophobicContact CD2-CD2 3.91Å; F204-F569 HydrophobicContact CD2-CE2 4.13Å; F204-F569 AromaticContact CE2-CD2 3.53Å; F204-F569 HydrophobicContact CE2-CD2 3.53Å; F204-F569 AromaticContact CE2-CE2 3.31Å; F204-F569 HydrophobicContact CE2-CE2 3.31Å; F204-F569 HydrophobicContact CE2-CG 4.46Å; F204-F569 HydrophobicContact CE2-CZ 4.11Å; F204-F569 AromaticContact CZ-CE2 3.94Å; F204-F569 HydrophobicContact CZ-CE2 3.94Å; F204-S572 VanDerWaalsContact CD2-OG 3.3Å; F204-S572 WeakPolarHBondContact CD2-OG 3.34Å; F204-I573 HydrophobicContact CD2-CG1 4.27Å; F204-I573 HydrophobicContact CE2-CD1 3.9Å; F204-I573 HydrophobicContact CE2-CG1 3.6Å; F204-I573 HydrophobicContact CZ-CG1 4.23Å; F204-I576 HydrophobicContact CB-CD1 4.21Å; F204-I576 HydrophobicContact CD1-CD1 4.11Å; F204-I576 HydrophobicContact CG-CD1 4.07Å
205V88.9Confident88.6Confident29 Ų2930.4 Ų30.418%0.17617%0.165CC..Hα-helixtrans-62.3-42.7178172.60000111.6C200 A207 L208 G209 M227C200-V205 WeakPolarHBondContact O-CB 3.25Å; C200-V205 WeakPolarHBondContact O-CG2 3.49Å; C200-V205 PolarHBondContact O-N 3.13Å; V205-A207 VanDerWaalsContact C-N 3.35Å; V205-A207 PolarHBondContact O-N 2.96Å; V205-L208 WeakPolarHBondContact O-CB 3.24Å; V205-L208 PolarHBondContact O-N 3.21Å; V205-G209 PolarHBondContact O-N 3.19Å; V205-M227 HydrophobicContact CG1-CE 4.05Å
206P88.1Confident88.3Confident32 Ų3234.7 Ų34.721%0.20820%0.201CC..Hα-helixtrans-61.8-38171.4-29.438.8000113.2D201 G209 V210 V556D201-P206 WeakPolarHBondContact O-CD 3.49Å; D201-P206 WeakPolarHBondContact O-CG 3.09Å; P206-G209 PolarHBondContact O-N 3.41Å; P206-V210 WeakPolarHBondContact O-CG2 3.18Å; P206-V210 PolarHBondContact O-N 3.05Å; P206-V556 HydrophobicContact CB-CG2 3.65Å
207A91.3Very high87.8Confident0 Ų036.6 Ų36.60%021%0.21CC..Hα-helixtrans-66.8-39.2174.900000112F203 F204 V205 G209 V210 I211 V556 T568 F569F203-A207 VanDerWaalsContact O-CB 3.25Å; F203-A207 WeakPolarHBondContact O-CB 3.48Å; F203-A207 PolarHBondContact O-N 3.49Å; F204-A207 PolarHBondContact O-N 3.2Å; F204-A207 VanDerWaalsContact O-N 3.16Å; V205-A207 VanDerWaalsContact C-N 3.35Å; V205-A207 PolarHBondContact O-N 2.96Å; A207-G209 VanDerWaalsContact C-N 3.35Å; A207-V210 PolarHBondContact O-N 2.81Å; A207-I211 VanDerWaalsContact O-CG1 3.28Å; A207-I211 WeakPolarHBondContact O-CG1 3.38Å; A207-I211 PolarHBondContact O-N 3.25Å; A207-V556 HydrophobicContact CB-CG2 4.49Å; A207-T568 HydrophobicContact CB-CG2 4.16Å; A207-F569 HydrophobicContact CB-CB 4.08Å
208L89.6Confident87.3Confident9 Ų938.5 Ų38.55%0.04722%0.222CC..Hα-helixtrans-61.9-38.6171.3-78158.8000112.4F204 V205 I211 T212 F226 G230 F569F204-L208 HydrophobicContact CD1-CD1 3.72Å; F204-L208 HydrophobicContact CD2-CD1 4.32Å; F204-L208 HydrophobicContact CE1-CD1 3.54Å; F204-L208 HydrophobicContact CE2-CD1 4.2Å; F204-L208 HydrophobicContact CG-CD1 4.12Å; F204-L208 HydrophobicContact CZ-CD1 3.82Å; F204-L208 HydrophobicContact CZ-CG 4.48Å; F204-L208 WeakPolarHBondContact O-CG 3.37Å; F204-L208 PolarHBondContact O-N 3.42Å; V205-L208 WeakPolarHBondContact O-CB 3.24Å; V205-L208 PolarHBondContact O-N 3.21Å; L208-I211 PolarHBondContact O-N 3.21Å; L208-T212 WeakPolarHBondContact O-CB 3.47Å; L208-T212 PolarHBondContact O-N 3.46Å; L208-T212 PolarHBondContact O-OG1 3.48Å; L208-F226 WeakPolarHBondContact CD1-O 3.42Å; L208-F226 HydrophobicContact CD2-CB 4.47Å; L208-F226 HydrophobicContact CD2-CD1 3.9Å; L208-G230 VanDerWaalsContact CD1-CA 3.47Å; L208-F569 HydrophobicContact CD2-CE2 3.79Å; L208-F569 HydrophobicContact CG-CD2 4.38Å; L208-F569 HydrophobicContact CG-CE2 4.06Å
209G88.3Confident86.6Confident25 Ų2541.3 Ų41.326%0.25824%0.237SC..Hα-helixtrans-60-48.4171.100000112.1V205 P206 A207 I211 T212 D213V205-G209 PolarHBondContact O-N 3.19Å; P206-G209 PolarHBondContact O-N 3.41Å; A207-G209 VanDerWaalsContact C-N 3.35Å; G209-I211 VanDerWaalsContact C-N 3.32Å; G209-I211 PolarHBondContact O-N 3.42Å; G209-T212 WeakPolarHBondContact O-CB 3.27Å; G209-T212 PolarHBondContact O-N 3.08Å; G209-T212 VanDerWaalsContact O-N 3.15Å; G209-D213 PolarHBondContact O-N 2.97Å
210V89.3Confident85.5Confident10 Ų1046 Ų466%0.06126%0.263CS..Hα-helixtrans-64.6-34.4176.2178.60000112.1P206 A207 K214 V556 R562 F565P206-V210 WeakPolarHBondContact O-CG2 3.18Å; P206-V210 PolarHBondContact O-N 3.05Å; A207-V210 PolarHBondContact O-N 2.81Å; V210-K214 WeakPolarHBondContact O-CG 3.26Å; V210-K214 PolarHBondContact O-N 3.23Å; V210-V556 HydrophobicContact CG2-CB 4.35Å; V210-V556 HydrophobicContact CG2-CG2 4.47Å; V210-R562 HydrophobicContact CG1-CG 3.9Å; V210-R562 HydrophobicContact CG2-CG 3.91Å; V210-F565 HydrophobicContact CB-CB 4.22Å; V210-F565 HydrophobicContact CG1-CB 3.76Å; V210-F565 HydrophobicContact CG1-CD1 4.14Å; V210-F565 HydrophobicContact CG1-CD2 4.37Å; V210-F565 HydrophobicContact CG1-CG 3.83Å
211I89.8Confident84.8Confident27 Ų2746.4 Ų46.414%0.13827%0.265CS..Hα-helixtrans-63.6-46.1172.1-71.3162.7000110.4A207 L208 G209 D213 K214 L215 F226 F565 F569A207-I211 VanDerWaalsContact O-CG1 3.28Å; A207-I211 WeakPolarHBondContact O-CG1 3.38Å; A207-I211 PolarHBondContact O-N 3.25Å; L208-I211 PolarHBondContact O-N 3.21Å; G209-I211 VanDerWaalsContact C-N 3.32Å; G209-I211 PolarHBondContact O-N 3.42Å; I211-D213 PolarHBondContact O-N 2.96Å; I211-K214 PolarHBondContact O-N 3.32Å; I211-L215 HydrophobicContact CG2-CD1 3.74Å; I211-L215 HydrophobicContact CG2-CG 4.39Å; I211-L215 WeakPolarHBondContact O-CG 3.33Å; I211-L215 PolarHBondContact O-N 3.32Å; I211-F226 HydrophobicContact CG2-CE1 4.48Å; I211-F565 HydrophobicContact CD1-CD2 4.45Å; I211-F565 HydrophobicContact CG1-CD2 3.65Å; I211-F565 HydrophobicContact CG1-CE2 3.76Å; I211-F569 HydrophobicContact CD1-CB 4.28Å; I211-F569 HydrophobicContact CD1-CD1 4.36Å; I211-F569 HydrophobicContact CD1-CD2 3.57Å; I211-F569 HydrophobicContact CD1-CE2 3.9Å; I211-F569 HydrophobicContact CD1-CG 3.83Å; I211-F569 HydrophobicContact CD1-CZ 4.43Å
212T87.4Confident84.4Confident13 Ų1344 Ų448%0.0825%0.253CS..Hα-helixtrans-58.6-48.2178.9-61.20000111.6L208 G209 K214 L215 A216 I217 A222L208-T212 WeakPolarHBondContact O-CB 3.47Å; L208-T212 PolarHBondContact O-N 3.46Å; L208-T212 PolarHBondContact O-OG1 3.48Å; G209-T212 WeakPolarHBondContact O-CB 3.27Å; G209-T212 PolarHBondContact O-N 3.08Å; G209-T212 VanDerWaalsContact O-N 3.15Å; T212-K214 VanDerWaalsContact C-N 3.3Å; T212-K214 PolarHBondContact O-N 3.25Å; T212-L215 PolarHBondContact O-N 3.49Å; T212-A216 PolarHBondContact O-N 2.86Å; T212-I217 HydrophobicContact CG2-CB 3.93Å; T212-I217 HydrophobicContact CG2-CG2 4.38Å; T212-I217 PolarHBondContact O-N 3.12Å; T212-A222 HydrophobicContact CG2-CB 3.36Å
213D87.3Confident83.9Confident70 Ų7042.5 Ų42.537%0.37425%0.251SS..Hα-helixtrans-52.2-47.4173.6-78.5-35.4000112G209 I211 L215 A216 R562G209-D213 PolarHBondContact O-N 2.97Å; I211-D213 PolarHBondContact O-N 2.96Å; D213-L215 VanDerWaalsContact C-N 3.33Å; D213-A216 PolarHBondContact O-N 3.02Å; D213-R562 IonicContact OD2-CZ 2.71Å; D213-R562 IonicContact OD2-NH2 3.15Å; D213-R562 PolarHBondContact OD2-NH2 3.11Å
214K87.6Confident82.9Confident140 Ų14042.7 Ų42.761%0.60925%0.252SS*.Hα-helixtrans-71.2-30-175.9-65.7-69.5177.2-167.90112.4V210 I211 T212 A216V210-K214 WeakPolarHBondContact O-CG 3.26Å; V210-K214 PolarHBondContact O-N 3.23Å; I211-K214 PolarHBondContact O-N 3.32Å; T212-K214 VanDerWaalsContact C-N 3.3Å; T212-K214 PolarHBondContact O-N 3.25Å; K214-A216 VanDerWaalsContact C-N 3.35Å
215L85.9Confident82.5Confident108 Ų10842.1 Ų42.157%0.56525%0.25SC*.Hα-helixtrans-85.3-7.7176-65.7176.6000113.2I211 T212 D213 I217I211-L215 HydrophobicContact CG2-CD1 3.74Å; I211-L215 HydrophobicContact CG2-CG 4.39Å; I211-L215 WeakPolarHBondContact O-CG 3.33Å; I211-L215 PolarHBondContact O-N 3.32Å; T212-L215 PolarHBondContact O-N 3.49Å; D213-L215 VanDerWaalsContact C-N 3.33Å; L215-I217 HydrophobicContact CB-CD1 3.87Å; L215-I217 HydrophobicContact CB-CG1 3.84Å; L215-I217 HydrophobicContact CD1-CD1 3.97Å; L215-I217 PolarHBondContact O-N 3.37Å
216A84.9Confident82.3Confident91 Ų9143.6 Ų43.675%0.75225%0.254SS*.THydrogen-bonded Turntrans51.642.8-176.200000112.7T212 D213 K214T212-A216 PolarHBondContact O-N 2.86Å; D213-A216 PolarHBondContact O-N 3.02Å; K214-A216 VanDerWaalsContact C-N 3.35Å
217I79.9Confident82Confident43 Ų4345.8 Ų45.822%0.22126%0.263CS..  trans-75.4143.7172.7-63.8171.9000108.2T212 L215 V221 A222 F226T212-I217 HydrophobicContact CG2-CB 3.93Å; T212-I217 HydrophobicContact CG2-CG2 4.38Å; T212-I217 PolarHBondContact O-N 3.12Å; L215-I217 HydrophobicContact CB-CD1 3.87Å; L215-I217 HydrophobicContact CB-CG1 3.84Å; L215-I217 HydrophobicContact CD1-CD1 3.97Å; L215-I217 PolarHBondContact O-N 3.37Å; I217-V221 HydrophobicContact CG2-CB 4.05Å; I217-V221 HydrophobicContact CG2-CG1 4.07Å; I217-A222 HydrophobicContact CG2-CB 4.38Å; I217-F226 HydrophobicContact CD1-CD2 3.99Å; I217-F226 HydrophobicContact CD1-CE2 3.46Å; I217-F226 VanDerWaalsContact CD1-CE2 3.46Å; I217-F226 HydrophobicContact CD1-CZ 3.9Å
218S78.1Confident81.6Confident60 Ų6045.8 Ų45.842%0.4226%0.263SS..  trans-75.2138.2177.750.20000111.8D220 V221 A222S218-D220 VanDerWaalsContact C-N 3.32Å; S218-D220 PolarHBondContact O-N 3.38Å; S218-V221 WeakPolarHBondContact O-CA 3.32Å; S218-V221 WeakPolarHBondContact O-CB 3.33Å; S218-V221 PolarHBondContact O-N 3.03Å; S218-V221 WeakPolarHBondContact OG-CG2 3.38Å; S218-A222 PolarHBondContact O-N 3.01Å
219D71.6Confident81.5Confident88 Ų8846.2 Ų46.247%0.47127%0.267SS..Hα-helixtrans-44.3-49.7-176-42.4-0.5000112.4V221 A222 G223 H393D219-V221 PolarHBondContact O-N 3.41Å; D219-V221 VanDerWaalsContact O-N 3.12Å; D219-A222 WeakPolarHBondContact O-CB 3.3Å; D219-A222 PolarHBondContact O-N 3.1Å; D219-A222 VanDerWaalsContact O-N 3.1Å; D219-G223 PolarHBondContact O-N 2.97Å; D219-H393 IonicContact OD2-CE1 2.7Å; D219-H393 PolarHBondContact OD2-CE1 3.37Å; D219-H393 IonicContact OD2-ND1 2.68Å; D219-H393 PolarHBondContact OD2-ND1 3.46Å
220D68Low81.4Confident99 Ų9945 Ų4553%0.52926%0.255SS..Hα-helixtrans-53.3-31.4175.4-53.4-16.1000115S218S218-D220 VanDerWaalsContact C-N 3.32Å; S218-D220 PolarHBondContact O-N 3.38Å
221V74.4Confident81.3Confident10 Ų1045 Ų456%0.06126%0.256CS..Hα-helixtrans-94.1-32.6-178.3179.50000110.1I217 S218 D219 T225 M327I217-V221 HydrophobicContact CG2-CB 4.05Å; I217-V221 HydrophobicContact CG2-CG1 4.07Å; S218-V221 WeakPolarHBondContact O-CA 3.32Å; S218-V221 WeakPolarHBondContact O-CB 3.33Å; S218-V221 PolarHBondContact O-N 3.03Å; S218-V221 WeakPolarHBondContact OG-CG2 3.38Å; D219-V221 PolarHBondContact O-N 3.41Å; D219-V221 VanDerWaalsContact O-N 3.12Å; V221-T225 HydrophobicContact CG1-CG2 4.42Å; V221-T225 WeakPolarHBondContact O-CB 3.37Å; V221-T225 PolarHBondContact O-N 3.46Å; V221-T225 PolarHBondContact O-OG1 2.91Å; V221-M327 HydrophobicContact CG1-CB 4.12Å; V221-M327 HydrophobicContact CG2-CB 4.24Å; V221-M327 WeakPolarHBondContact CG2-O 3.39Å
222A77Confident81.3Confident7 Ų743.7 Ų43.76%0.05825%0.25CC..Iπ-helixtrans-60.6-51.5174.900000111.4T212 I217 S218 D219 T225 F226 M227T212-A222 HydrophobicContact CG2-CB 3.36Å; I217-A222 HydrophobicContact CG2-CB 4.38Å; S218-A222 PolarHBondContact O-N 3.01Å; D219-A222 WeakPolarHBondContact O-CB 3.3Å; D219-A222 PolarHBondContact O-N 3.1Å; D219-A222 VanDerWaalsContact O-N 3.1Å; A222-T225 PolarHBondContact O-N 2.95Å; A222-F226 WeakPolarHBondContact O-CA 3.27Å; A222-F226 PolarHBondContact O-N 2.92Å; A222-M227 PolarHBondContact O-N 2.97Å
223G72.6Confident81.5Confident16 Ų1643.3 Ų43.317%0.16525%0.248CC..Iπ-helixtrans-55.7-59.717800000111.7D219 T225 A228D219-G223 PolarHBondContact O-N 2.97Å; G223-T225 PolarHBondContact O-N 3.04Å; G223-T225 VanDerWaalsContact O-N 3.07Å; G223-A228 PolarHBondContact O-N 2.77Å
224A70.1Confident81.8Confident5 Ų540 Ų404%0.04123%0.231CC..Iπ-helixtrans-74.88.3-17500000115.9Y323 M327A224-Y323 PolarHBondContact O-OH 2.83Å; A224-M327 HydrophobicContact CB-CE 3.55Å
225T82.3Confident82.1Confident2 Ų233.5 Ų33.51%0.01220%0.202CC..Iπ-helixtrans-142.6-55.2175.165.10000114V221 A222 G223 A229 Y320 Y323 V324V221-T225 HydrophobicContact CG1-CG2 4.42Å; V221-T225 WeakPolarHBondContact O-CB 3.37Å; V221-T225 PolarHBondContact O-N 3.46Å; V221-T225 PolarHBondContact O-OG1 2.91Å; A222-T225 PolarHBondContact O-N 2.95Å; G223-T225 PolarHBondContact O-N 3.04Å; G223-T225 VanDerWaalsContact O-N 3.07Å; T225-A229 WeakPolarHBondContact O-CB 3.38Å; T225-A229 PolarHBondContact O-N 2.89Å; T225-A229 VanDerWaalsContact O-N 3.17Å; T225-Y320 PolarHBondContact O-OH 3.2Å; T225-Y323 HydrophobicContact CG2-CE1 4.02Å; T225-V324 HydrophobicContact CG2-CG2 3.92Å
226F84.3Confident82.5Confident60 Ų6029.7 Ų29.726%0.26318%0.182SC..Iπ-helixtrans-83.2-37-176.9-80.2-94.6000112.7L208 I211 I217 A222 G230L208-F226 WeakPolarHBondContact CD1-O 3.42Å; L208-F226 HydrophobicContact CD2-CB 4.47Å; L208-F226 HydrophobicContact CD2-CD1 3.9Å; I211-F226 HydrophobicContact CG2-CE1 4.48Å; I217-F226 HydrophobicContact CD1-CD2 3.99Å; I217-F226 HydrophobicContact CD1-CE2 3.46Å; I217-F226 VanDerWaalsContact CD1-CE2 3.46Å; I217-F226 HydrophobicContact CD1-CZ 3.9Å; A222-F226 WeakPolarHBondContact O-CA 3.27Å; A222-F226 PolarHBondContact O-N 2.92Å; F226-G230 PolarHBondContact O-N 3.43Å
227M83.1Confident82.9Confident79 Ų7926.9 Ų26.939%0.38915%0.153SC..Iπ-helixtrans-80.1-39.3176.9-54.8-175.572.600111.2V205 A222 A229 G230 G231V205-M227 HydrophobicContact CG1-CE 4.05Å; A222-M227 PolarHBondContact O-N 2.97Å; M227-A229 PolarHBondContact O-N 2.6Å; M227-G230 VanDerWaalsContact O-CA 3.22Å; M227-G230 WeakPolarHBondContact O-CA 3.49Å; M227-G230 PolarHBondContact O-N 3.3Å; M227-G231 PolarHBondContact O-N 2.86Å; M227-G231 VanDerWaalsContact O-N 3.09Å
228A83.1Confident83.6Confident0 Ų024.9 Ų24.90%014%0.143CC..Hα-helixtrans-55-47.7168.800000113G223 G230 G231 S232G223-A228 PolarHBondContact O-N 2.77Å; A228-G230 PolarHBondContact O-N 3.15Å; A228-G231 PolarHBondContact O-N 3.47Å; A228-S232 PolarHBondContact O-N 3.46Å; A228-S232 VanDerWaalsContact O-N 3.14Å; A228-S232 PolarHBondContact O-OG 2.77Å
229A85.9Confident84.3Confident17 Ų1722 Ų2214%0.1412%0.123CC..Hα-helixtrans-69.5-8.9171.800000114T225 M227 F640T225-A229 WeakPolarHBondContact O-CB 3.38Å; T225-A229 PolarHBondContact O-N 2.89Å; T225-A229 VanDerWaalsContact O-N 3.17Å; M227-A229 PolarHBondContact O-N 2.6Å; A229-F640 HydrophobicContact CB-CD1 4.31Å; A229-F640 HydrophobicContact CB-CD2 3.55Å; A229-F640 HydrophobicContact CB-CE1 4.22Å; A229-F640 HydrophobicContact CB-CE2 3.45Å; A229-F640 VanDerWaalsContact CB-CE2 3.45Å; A229-F640 HydrophobicContact CB-CG 3.98Å; A229-F640 HydrophobicContact CB-CZ 3.8Å
230G87.6Confident85.4Confident0 Ų019.8 Ų19.80%011%0.111CC..Hα-helixtrans-76.8-49170.400000111.6L208 F226 M227 A228 A233L208-G230 VanDerWaalsContact CD1-CA 3.47Å; F226-G230 PolarHBondContact O-N 3.43Å; M227-G230 VanDerWaalsContact O-CA 3.22Å; M227-G230 WeakPolarHBondContact O-CA 3.49Å; M227-G230 PolarHBondContact O-N 3.3Å; A228-G230 PolarHBondContact O-N 3.15Å; G230-A233 WeakPolarHBondContact O-CB 3.3Å
231G85.6Confident86.6Confident9 Ų915.6 Ų15.69%0.0939%0.088CC..Hα-helixtrans-58.8-57.517300000112.2M227 A228 A233 P234 D614M227-G231 PolarHBondContact O-N 2.86Å; M227-G231 VanDerWaalsContact O-N 3.09Å; A228-G231 PolarHBondContact O-N 3.47Å; G231-A233 PolarHBondContact O-N 2.95Å; G231-P234 WeakPolarHBondContact O-CD 3.4Å; G231-D614 VanDerWaalsContact CA-OD1 3.26Å; G231-D614 WeakPolarHBondContact CA-OD1 3.43Å
232S91.2Very high87.4Confident1 Ų115.1 Ų15.11%0.0079%0.085CC..THydrogen-bonded Turntrans-60.36.4179.3-72.70000117.4A228 E235 L236 S637 D641A228-S232 PolarHBondContact O-N 3.46Å; A228-S232 VanDerWaalsContact O-N 3.14Å; A228-S232 PolarHBondContact O-OG 2.77Å; S232-E235 WeakPolarHBondContact CA-OE2 3.43Å; S232-L236 PolarHBondContact O-N 2.92Å; S232-L236 VanDerWaalsContact O-N 3.08Å; S232-S637 WeakPolarHBondContact OG-CA 3.35Å; S232-S637 WeakPolarHBondContact OG-CB 3.16Å; S232-S637 PolarHBondContact OG-O 3.25Å; S232-D641 WeakPolarHBondContact CB-OD1 3.37Å; S232-D641 PolarHBondContact OG-OD1 3.43Å
233A91.9Very high88.1Confident4 Ų415.7 Ų15.73%0.0339%0.088CC..Hα-helixtrans-67.1-43.6-176.900000113.7F204 G230 G231 E235 L236 F237 I576F204-A233 HydrophobicContact CD1-CB 3.91Å; F204-A233 HydrophobicContact CE1-CB 3.54Å; F204-A233 HydrophobicContact CZ-CB 4.39Å; G230-A233 WeakPolarHBondContact O-CB 3.3Å; G231-A233 PolarHBondContact O-N 2.95Å; A233-E235 VanDerWaalsContact C-N 3.31Å; A233-E235 PolarHBondContact O-N 3.42Å; A233-L236 PolarHBondContact O-N 3.24Å; A233-F237 WeakPolarHBondContact O-CD2 3.47Å; A233-F237 PolarHBondContact O-N 2.62Å; A233-I576 HydrophobicContact CB-CD1 3.97Å; A233-I576 HydrophobicContact CB-CG2 4.46Å
234P92.6Very high88.9Confident2 Ų217.2 Ų17.21%0.0139%0.09CC..Hα-helixtrans-63.8-34.2175.7-21.536000112.6L196 C200 G231 F237 T238 T610L196-P234 HydrophobicContact CB-CG 4.36Å; L196-P234 HydrophobicContact CD1-CB 4.32Å; L196-P234 HydrophobicContact CD2-CB 4.19Å; L196-P234 HydrophobicContact CD2-CG 4.3Å; C200-P234 VanDerWaalsContact SG-CG 3.57Å; G231-P234 WeakPolarHBondContact O-CD 3.4Å; P234-F237 PolarHBondContact O-N 3.49Å; P234-T238 WeakPolarHBondContact O-CB 3.46Å; P234-T238 PolarHBondContact O-N 2.88Å; P234-T238 PolarHBondContact O-OG1 3.47Å; P234-T610 HydrophobicContact CB-CG2 3.76Å
235E94Very high89.9Confident2 Ų218.8 Ų18.81%0.00910%0.098CC..Hα-helixtrans-63.4-49.8174-74.475.7-175.300111.1S232 A233 F237 T238 S239 I255 S258 T610 S611S232-E235 WeakPolarHBondContact CA-OE2 3.43Å; A233-E235 VanDerWaalsContact C-N 3.31Å; A233-E235 PolarHBondContact O-N 3.42Å; E235-F237 VanDerWaalsContact C-N 3.33Å; E235-F237 PolarHBondContact O-N 3.22Å; E235-T238 PolarHBondContact O-N 2.86Å; E235-S239 WeakPolarHBondContact O-CB 3.22Å; E235-S239 PolarHBondContact O-N 3.36Å; E235-I255 HydrophobicContact CB-CG1 4.23Å; E235-S258 PolarHBondContact OE1-OG 2.76Å; E235-T610 WeakPolarHBondContact OE1-CB 3.39Å; E235-T610 PolarHBondContact OE1-OG1 3.48Å; E235-S611 PolarHBondContact OE1-N 3.02Å; E235-S611 PolarHBondContact OE1-OG 3.12Å
236L94.1Very high90Very high29 Ų2918.7 Ų18.715%0.15210%0.097CC..Hα-helixtrans-58.3-43.1175168.864.4000111.9S232 A233 S239 L240 F640 I648 P649S232-L236 PolarHBondContact O-N 2.92Å; S232-L236 VanDerWaalsContact O-N 3.08Å; A233-L236 PolarHBondContact O-N 3.24Å; L236-S239 WeakPolarHBondContact O-CB 3.48Å; L236-S239 PolarHBondContact O-N 2.92Å; L236-L240 PolarHBondContact O-N 2.93Å; L236-F640 HydrophobicContact CB-CE1 4.4Å; L236-F640 HydrophobicContact CD2-CE1 4.36Å; L236-F640 HydrophobicContact CD2-CZ 4.13Å; L236-I648 HydrophobicContact CD1-CB 4.17Å; L236-I648 HydrophobicContact CD1-CD1 4.5Å; L236-I648 HydrophobicContact CD1-CG2 4.31Å; L236-P649 HydrophobicContact CD1-CG 4.49Å
237F94.6Very high90.1Very high32 Ų3220.1 Ų20.114%0.1410%0.104CC..Hα-helixtrans-72.3-36.9178-83.8-71000112.6A233 P234 E235 S239 L240 I241 I573 I576 A577A233-F237 WeakPolarHBondContact O-CD2 3.47Å; A233-F237 PolarHBondContact O-N 2.62Å; P234-F237 PolarHBondContact O-N 3.49Å; E235-F237 VanDerWaalsContact C-N 3.33Å; E235-F237 PolarHBondContact O-N 3.22Å; F237-S239 VanDerWaalsContact C-N 3.32Å; F237-S239 PolarHBondContact O-N 2.95Å; F237-L240 HydrophobicContact CE1-CD1 4.35Å; F237-L240 WeakPolarHBondContact O-CB 3.42Å; F237-L240 PolarHBondContact O-N 3.4Å; F237-L240 VanDerWaalsContact O-N 3.17Å; F237-I241 VanDerWaalsContact O-CG1 3.32Å; F237-I241 WeakPolarHBondContact O-CG1 3.29Å; F237-I241 PolarHBondContact O-N 3.19Å; F237-I573 HydrophobicContact CE2-CG2 4.3Å; F237-I573 HydrophobicContact CZ-CG2 3.85Å; F237-I576 HydrophobicContact CB-CG2 4.13Å; F237-I576 HydrophobicContact CD2-CB 4.2Å; F237-I576 HydrophobicContact CD2-CG2 3.5Å; F237-I576 HydrophobicContact CE2-CG2 4.33Å; F237-I576 HydrophobicContact CG-CG2 4.05Å; F237-A577 HydrophobicContact CD1-CB 3.59Å; F237-A577 HydrophobicContact CE1-CB 3.69Å; F237-A577 HydrophobicContact CG-CB 4.28Å; F237-A577 HydrophobicContact CZ-CB 4.43Å
238T93.5Very high90.2Very high0 Ų017.6 Ų17.60%09%0.094CC..Hα-helixtrans-61.2-41.1172.1-61.10000111.7P234 E235 I241 G242 T254 M583 V584 L606P234-T238 WeakPolarHBondContact O-CB 3.46Å; P234-T238 PolarHBondContact O-N 2.88Å; P234-T238 PolarHBondContact O-OG1 3.47Å; E235-T238 PolarHBondContact O-N 2.86Å; T238-I241 PolarHBondContact O-N 2.83Å; T238-G242 PolarHBondContact O-N 2.96Å; T238-T254 HydrophobicContact CG2-CG2 3.83Å; T238-T254 WeakPolarHBondContact CG2-OG1 3.28Å; T238-M583 HydrophobicContact CG2-CE 4.31Å; T238-M583 WeakPolarHBondContact OG1-CE 3.42Å; T238-V584 HydrophobicContact CG2-CG2 3.82Å; T238-L606 HydrophobicContact CG2-CD2 3.77Å
239S93.9Very high90.4Very high0 Ų018.2 Ų18.20%010%0.098CC..Hα-helixtrans-59.9-43.9171.9-172.20000112.4E235 L236 F237 G242 V243 G645E235-S239 WeakPolarHBondContact O-CB 3.22Å; E235-S239 PolarHBondContact O-N 3.36Å; L236-S239 WeakPolarHBondContact O-CB 3.48Å; L236-S239 PolarHBondContact O-N 2.92Å; F237-S239 VanDerWaalsContact C-N 3.32Å; F237-S239 PolarHBondContact O-N 2.95Å; S239-G242 PolarHBondContact O-N 3.27Å; S239-V243 PolarHBondContact O-N 3.36Å; S239-V243 VanDerWaalsContact O-N 3.11Å; S239-G645 VanDerWaalsContact CB-O 3.27Å; S239-G645 WeakPolarHBondContact CB-O 3.21Å; S239-G645 PolarHBondContact OG-O 3.44Å
240L94.7Very high90.6Very high41 Ų4117.6 Ų17.622%0.2159%0.092CC..Hα-helixtrans-62.7-48.1175.7-166.2155.6000112.4L236 F237 G242 V243 F244 P649 L652L236-L240 PolarHBondContact O-N 2.93Å; F237-L240 HydrophobicContact CE1-CD1 4.35Å; F237-L240 WeakPolarHBondContact O-CB 3.42Å; F237-L240 PolarHBondContact O-N 3.4Å; F237-L240 VanDerWaalsContact O-N 3.17Å; L240-G242 VanDerWaalsContact C-N 3.3Å; L240-G242 PolarHBondContact O-N 2.99Å; L240-V243 PolarHBondContact O-N 3.17Å; L240-F244 HydrophobicContact CD2-CD2 4.07Å; L240-F244 HydrophobicContact CG-CD2 4.1Å; L240-F244 WeakPolarHBondContact O-CB 3.03Å; L240-F244 WeakPolarHBondContact O-CD2 3.41Å; L240-F244 PolarHBondContact O-N 3.38Å; L240-P649 HydrophobicContact CB-CG 4.02Å; L240-L652 HydrophobicContact CD1-CD2 4.39Å
241I93Very high90.7Very high12 Ų1217.7 Ų17.76%0.0629%0.093CC..Hα-helixtrans-62.5-37.5176.9-62.3-61.3000111.1F237 T238 I245 A246 Y581 V584F237-I241 VanDerWaalsContact O-CG1 3.32Å; F237-I241 WeakPolarHBondContact O-CG1 3.29Å; F237-I241 PolarHBondContact O-N 3.19Å; T238-I241 PolarHBondContact O-N 2.83Å; I241-I245 HydrophobicContact CD1-CD1 3.87Å; I241-I245 HydrophobicContact CG2-CB 4.35Å; I241-I245 PolarHBondContact O-N 2.67Å; I241-A246 PolarHBondContact O-N 3.43Å; I241-Y581 HydrophobicContact CD1-CD2 4.2Å; I241-Y581 HydrophobicContact CG2-CD2 4.42Å; I241-V584 HydrophobicContact CG2-CB 4.07Å; I241-V584 HydrophobicContact CG2-CG1 4.2Å; I241-V584 HydrophobicContact CG2-CG2 4.26Å
242G90.8Very high91Very high0 Ų017.6 Ų17.60%09%0.09CC..Iπ-helixtrans-59-49.1174.800000113.2T238 S239 L240 A246 H247 S248T238-G242 PolarHBondContact O-N 2.96Å; S239-G242 PolarHBondContact O-N 3.27Å; L240-G242 VanDerWaalsContact C-N 3.3Å; L240-G242 PolarHBondContact O-N 2.99Å; G242-A246 WeakPolarHBondContact O-CB 3.08Å; G242-H247 WeakPolarHBondContact O-CA 3.25Å; G242-H247 PolarHBondContact O-N 2.9Å; G242-S248 PolarHBondContact O-N 2.87Å
243V90.9Very high91Very high19 Ų1917.7 Ų17.712%0.1159%0.091CC..Iπ-helixtrans-70.2-41.5-179.9173.60000112.4S239 L240 H247 P649 Y653S239-V243 PolarHBondContact O-N 3.36Å; S239-V243 VanDerWaalsContact O-N 3.11Å; L240-V243 PolarHBondContact O-N 3.17Å; V243-H247 PolarHBondContact O-ND1 2.93Å; V243-P649 HydrophobicContact CB-CB 4.1Å; V243-P649 HydrophobicContact CG2-CB 3.81Å; V243-Y653 HydrophobicContact CG1-CD2 3.92Å; V243-Y653 HydrophobicContact CG1-CG 4.06Å
244F90.6Very high91.1Very high47 Ų4717.5 Ų17.521%0.2069%0.09CC..Iπ-helixtrans-94.7-20.3-169.3-82.6-83.8000116.3L240 H247 L652 Y653 I656L240-F244 HydrophobicContact CD2-CD2 4.07Å; L240-F244 HydrophobicContact CG-CD2 4.1Å; L240-F244 WeakPolarHBondContact O-CB 3.03Å; L240-F244 WeakPolarHBondContact O-CD2 3.41Å; L240-F244 PolarHBondContact O-N 3.38Å; F244-H247 PolarHBondContact O-CE1 3.24Å; F244-L652 HydrophobicContact CE2-CB 4.17Å; F244-L652 HydrophobicContact CE2-CD2 3.95Å; F244-L652 HydrophobicContact CE2-CG 4.09Å; F244-L652 HydrophobicContact CZ-CB 4.09Å; F244-L652 HydrophobicContact CZ-CD2 4.01Å; F244-L652 HydrophobicContact CZ-CG 3.77Å; F244-Y653 HydrophobicContact CE1-CD2 4.28Å; F244-Y653 HydrophobicContact CZ-CD2 4.47Å; F244-I656 HydrophobicContact CE1-CD1 3.76Å; F244-I656 HydrophobicContact CZ-CD1 3.94Å
245I89.4Confident91.1Very high39 Ų3917.4 Ų17.420%0.29%0.089CC..Iπ-helixtrans-130.4-47.1-174.1-55.9-177.1000111.3G165 E166 Y167 I241 H247 Y581G165-I245 CarbonylContact C-O 3.54Å; G165-I245 VanDerWaalsContact CA-O 3.27Å; G165-I245 WeakPolarHBondContact CA-O 3.35Å; E166-I245 HydrophobicContact CB-CG2 4.39Å; E166-I245 PolarHBondContact N-O 3.4Å; Y167-I245 HydrophobicContact CD1-CG2 4.27Å; Y167-I245 HydrophobicContact CE1-CG2 3.99Å; I241-I245 HydrophobicContact CD1-CD1 3.87Å; I241-I245 HydrophobicContact CG2-CB 4.35Å; I241-I245 PolarHBondContact O-N 2.67Å; I245-H247 PolarHBondContact O-N 2.84Å; I245-Y581 HydrophobicContact CD1-CD2 3.73Å; I245-Y581 HydrophobicContact CD1-CE2 3.78Å; I245-Y581 HydrophobicContact CG2-CE2 4.24Å
246A84.8Confident91.1Very high0 Ų017.3 Ų17.30%09%0.089CC..Iπ-helixtrans-68-31.117600000111.6G165 Y167 I241 G242 S248 V250G165-A246 WeakPolarHBondContact CA-O 3.17Å; Y167-A246 HydrophobicContact CE2-CB 4.4Å; Y167-A246 WeakPolarHBondContact OH-CB 3.42Å; I241-A246 PolarHBondContact O-N 3.43Å; G242-A246 WeakPolarHBondContact O-CB 3.08Å; A246-S248 WeakPolarHBondContact CB-OG 3.36Å; A246-S248 PolarHBondContact O-N 3.27Å; A246-V250 HydrophobicContact CB-CG1 3.81Å
247H86.5Confident91Very high90 Ų9016 Ų1642%0.4178%0.082SC..  trans49.334.8-166.8-62.8-41.9000112.3G242 V243 F244 I245G242-H247 WeakPolarHBondContact O-CA 3.25Å; G242-H247 PolarHBondContact O-N 2.9Å; V243-H247 PolarHBondContact O-ND1 2.93Å; F244-H247 PolarHBondContact O-CE1 3.24Å; I245-H247 PolarHBondContact O-N 2.84Å
248S85.2Confident91Very high25 Ų2514.5 Ų14.518%0.1758%0.076CC..SBendtrans-133165.7-171.385.10000111.6G242 A246 V250 E598G242-S248 PolarHBondContact O-N 2.87Å; A246-S248 WeakPolarHBondContact CB-OG 3.36Å; A246-S248 PolarHBondContact O-N 3.27Å; S248-V250 PolarHBondContact O-N 2.95Å; S248-V250 VanDerWaalsContact O-N 3.16Å; S248-V250 VanDerWaalsContact OG-CG1 3.31Å; S248-V250 WeakPolarHBondContact OG-CG1 3.44Å; S248-V250 PolarHBondContact OG-N 2.93Å; S248-E598 WeakPolarHBondContact CB-OE2 3.24Å; S248-E598 PolarHBondContact OG-OE2 3.1Å
249N88.1Confident91Very high14 Ų1414.5 Ų14.58%0.0758%0.076CC..THydrogen-bonded Turntrans-72.91.4179.9-84.8-5000113.9G251 I252 G253 E599 S665 L669N249-G251 PolarHBondContact O-N 3.45Å; N249-G251 VanDerWaalsContact O-N 3.09Å; N249-I252 PolarHBondContact O-N 3.07Å; N249-G253 PolarHBondContact O-N 2.98Å; N249-E599 HydrophobicContact CB-CG 3.55Å; N249-S665 WeakPolarHBondContact ND2-CB 3.37Å; N249-S665 PolarHBondContact ND2-N 2.71Å; N249-S665 PolarHBondContact ND2-O 3.15Å; N249-L669 HydrophobicContact CB-CD2 4.16Å; N249-L669 VanDerWaalsContact ND2-CD2 3.34Å; N249-L669 WeakPolarHBondContact ND2-CD2 3.43Å
250V89.6Confident90.9Very high4 Ų414.7 Ų14.72%0.0248%0.077CC..Hα-helixtrans-50.3-38-178.366.70000113.3A246 S248 T254 V584 E598 L606A246-V250 HydrophobicContact CB-CG1 3.81Å; S248-V250 PolarHBondContact O-N 2.95Å; S248-V250 VanDerWaalsContact O-N 3.16Å; S248-V250 VanDerWaalsContact OG-CG1 3.31Å; S248-V250 WeakPolarHBondContact OG-CG1 3.44Å; S248-V250 PolarHBondContact OG-N 2.93Å; V250-T254 WeakPolarHBondContact O-CB 3.44Å; V250-T254 PolarHBondContact O-N 2.74Å; V250-T254 PolarHBondContact O-OG1 3.14Å; V250-V584 HydrophobicContact CG1-CG1 4.35Å; V250-V584 HydrophobicContact CG2-CG1 4.42Å; V250-E598 HydrophobicContact CB-CB 4.18Å; V250-L606 HydrophobicContact CG2-CD2 3.97Å
251G90.8Very high90.9Very high2 Ų213.1 Ų13.12%0.0217%0.068CC..Hα-helixtrans-65.3-43.1177.800000113.7N249 I255N249-G251 PolarHBondContact O-N 3.45Å; N249-G251 VanDerWaalsContact O-N 3.09Å; G251-I255 PolarHBondContact O-N 2.97Å; G251-I255 VanDerWaalsContact O-N 3.16Å
252I91Very high90.9Very high7 Ų712.6 Ų12.64%0.0367%0.066CC..Hα-helixtrans-73.7-40.6179-42.9172.8000109.9N249 T254 I255 V256 F303 L646 W650 V664 L669N249-I252 PolarHBondContact O-N 3.07Å; I252-T254 VanDerWaalsContact C-N 3.34Å; I252-T254 PolarHBondContact O-N 3.27Å; I252-I255 PolarHBondContact O-N 3Å; I252-V256 HydrophobicContact CG2-CG2 4.38Å; I252-V256 WeakPolarHBondContact O-CB 3.37Å; I252-V256 WeakPolarHBondContact O-CG2 3.44Å; I252-V256 PolarHBondContact O-N 3.33Å; I252-F303 HydrophobicContact CD1-CZ 4.33Å; I252-F303 HydrophobicContact CG2-CE1 4.31Å; I252-F303 HydrophobicContact CG2-CZ 4.12Å; I252-L646 HydrophobicContact CB-CD2 4.07Å; I252-L646 HydrophobicContact CG1-CD2 4.04Å; I252-L646 HydrophobicContact CG2-CD2 3.74Å; I252-W650 HydrophobicContact CD1-CZ2 3.84Å; I252-W650 HydrophobicContact CG1-CZ2 4.07Å; I252-V664 HydrophobicContact CD1-CG1 3.67Å; I252-V664 HydrophobicContact CD1-CG2 4.04Å; I252-L669 HydrophobicContact CB-CD1 4.3Å; I252-L669 HydrophobicContact CB-CD2 3.92Å; I252-L669 HydrophobicContact CD1-CD2 3.86Å; I252-L669 HydrophobicContact CG1-CD2 4.48Å; I252-L669 HydrophobicContact CG2-CD1 3.93Å; I252-L669 HydrophobicContact CG2-CD2 3.86Å; I252-L669 HydrophobicContact CG2-CG 4.29Å
253G91.1Very high91Very high2 Ų213 Ų132%0.0217%0.068CC..Hα-helixtrans-55.6-48.2172.100000111.6N249 V256 G257 L603N249-G253 PolarHBondContact O-N 2.98Å; G253-V256 PolarHBondContact O-N 3.39Å; G253-G257 PolarHBondContact O-N 3.04Å; G253-L603 VanDerWaalsContact O-CA 3.25Å; G253-L603 WeakPolarHBondContact O-CA 3.47Å
254T93.8Very high91.1Very high0 Ų012.1 Ų12.10%06%0.062CC..Hα-helixtrans-56.2-53.8176.3-54.70000111.3T238 V250 I252 V256 G257 S258 G602 L606T238-T254 HydrophobicContact CG2-CG2 3.83Å; T238-T254 WeakPolarHBondContact CG2-OG1 3.28Å; V250-T254 WeakPolarHBondContact O-CB 3.44Å; V250-T254 PolarHBondContact O-N 2.74Å; V250-T254 PolarHBondContact O-OG1 3.14Å; I252-T254 VanDerWaalsContact C-N 3.34Å; I252-T254 PolarHBondContact O-N 3.27Å; T254-V256 PolarHBondContact O-N 3.29Å; T254-G257 PolarHBondContact O-N 3.26Å; T254-G257 VanDerWaalsContact O-N 3.15Å; T254-S258 WeakPolarHBondContact O-CB 3.35Å; T254-S258 PolarHBondContact O-N 2.68Å; T254-S258 PolarHBondContact O-OG 2.8Å; T254-G602 WeakPolarHBondContact CA-O 3.45Å; T254-L606 HydrophobicContact CG2-CB 4.07Å
255I93.7Very high91.3Very high0 Ų011.9 Ų11.90%06%0.061CC..Hα-helixtrans-62.3-41.1-178.8-78.8169.8000112.7E235 G251 I252 G257 A259 D641 I642 L646E235-I255 HydrophobicContact CB-CG1 4.23Å; G251-I255 PolarHBondContact O-N 2.97Å; G251-I255 VanDerWaalsContact O-N 3.16Å; I252-I255 PolarHBondContact O-N 3Å; I255-G257 VanDerWaalsContact C-N 3.34Å; I255-A259 VanDerWaalsContact O-CB 3.24Å; I255-A259 WeakPolarHBondContact O-CB 3.29Å; I255-A259 PolarHBondContact O-N 3.17Å; I255-D641 HydrophobicContact CB-CB 4.49Å; I255-D641 HydrophobicContact CG1-CB 4.2Å; I255-D641 HydrophobicContact CG2-CB 3.72Å; I255-I642 HydrophobicContact CG2-CD1 3.83Å; I255-L646 HydrophobicContact CB-CD2 4.1Å; I255-L646 HydrophobicContact CB-CG 4.4Å; I255-L646 HydrophobicContact CD1-CD2 3.74Å; I255-L646 HydrophobicContact CD1-CG 3.91Å; I255-L646 HydrophobicContact CG2-CD1 4.1Å; I255-L646 HydrophobicContact CG2-CD2 4.1Å; I255-L646 HydrophobicContact CG2-CG 3.89Å
256V92.3Very high91.4Very high1 Ų110.1 Ų10.11%0.0065%0.052CC..Hα-helixtrans-66.1-38.8176172.70000111I252 G253 T254 V260 L603 A672 I673 L676I252-V256 HydrophobicContact CG2-CG2 4.38Å; I252-V256 WeakPolarHBondContact O-CB 3.37Å; I252-V256 WeakPolarHBondContact O-CG2 3.44Å; I252-V256 PolarHBondContact O-N 3.33Å; G253-V256 PolarHBondContact O-N 3.39Å; T254-V256 PolarHBondContact O-N 3.29Å; V256-V260 WeakPolarHBondContact O-CG2 3.26Å; V256-V260 PolarHBondContact O-N 2.84Å; V256-L603 HydrophobicContact CG1-CD1 4.48Å; V256-A672 HydrophobicContact CG1-CB 4.14Å; V256-I673 HydrophobicContact CG2-CD1 4.49Å; V256-I673 HydrophobicContact CG2-CG1 3.76Å; V256-L676 HydrophobicContact CG1-CD1 4.06Å
257G93.1Very high91.7Very high2 Ų210.6 Ų10.62%0.0216%0.055CC..Hα-helixtrans-65.3-52.3175.700000112.8G253 T254 I255 A259 V260 F261 L603 A607G253-G257 PolarHBondContact O-N 3.04Å; T254-G257 PolarHBondContact O-N 3.26Å; T254-G257 VanDerWaalsContact O-N 3.15Å; I255-G257 VanDerWaalsContact C-N 3.34Å; G257-A259 VanDerWaalsContact C-N 3.26Å; G257-A259 PolarHBondContact O-N 3.12Å; G257-V260 PolarHBondContact O-N 2.85Å; G257-V260 VanDerWaalsContact O-N 3.12Å; G257-F261 WeakPolarHBondContact O-CB 3.41Å; G257-F261 PolarHBondContact O-N 3.34Å; G257-L603 WeakPolarHBondContact CA-O 3.48Å; G257-A607 VanDerWaalsContact C-CB 3.5Å
258S93.4Very high92.1Very high0 Ų06.3 Ų6.30%04%0.035CC..Hα-helixtrans-57.3-42.1178.1-68.70000110.6E235 T254 V260 F261 N262 A607 T610 S611E235-S258 PolarHBondContact OE1-OG 2.76Å; T254-S258 WeakPolarHBondContact O-CB 3.35Å; T254-S258 PolarHBondContact O-N 2.68Å; T254-S258 PolarHBondContact O-OG 2.8Å; S258-V260 PolarHBondContact O-N 2.92Å; S258-F261 WeakPolarHBondContact O-CB 3.23Å; S258-F261 PolarHBondContact O-N 3.1Å; S258-N262 VanDerWaalsContact O-CB 3.31Å; S258-N262 WeakPolarHBondContact O-CB 3.45Å; S258-N262 PolarHBondContact O-N 3.12Å; S258-A607 VanDerWaalsContact N-CB 3.33Å; S258-A607 VanDerWaalsContact OG-CA 3.32Å; S258-A607 WeakPolarHBondContact OG-CA 3.29Å; S258-A607 PolarHBondContact OG-O 3.3Å; S258-A607 VanDerWaalsContact OG-O 3.09Å; S258-T610 PolarHBondContact OG-OG1 2.85Å; S258-S611 VanDerWaalsContact CB-OG 3.28Å; S258-S611 WeakPolarHBondContact CB-OG 3.3Å; S258-S611 PolarHBondContact OG-OG 3.06Å; S258-S611 VanDerWaalsContact OG-OG 3.09Å
259A93.6Very high92.4Very high0 Ų07 Ų70%04%0.036CC..Hα-helixtrans-62.1-39.6177.600000113.4I255 G257 I263 N638 L676I255-A259 VanDerWaalsContact O-CB 3.24Å; I255-A259 WeakPolarHBondContact O-CB 3.29Å; I255-A259 PolarHBondContact O-N 3.17Å; G257-A259 VanDerWaalsContact C-N 3.26Å; G257-A259 PolarHBondContact O-N 3.12Å; A259-I263 WeakPolarHBondContact O-CB 3.36Å; A259-I263 PolarHBondContact O-N 3.06Å; A259-I263 VanDerWaalsContact O-N 3.13Å; A259-N638 VanDerWaalsContact CA-ND2 3.31Å; A259-N638 WeakPolarHBondContact CA-ND2 3.35Å; A259-N638 HydrophobicContact CB-CB 4.47Å; A259-N638 PolarHBondContact O-ND2 3.42Å; A259-L676 HydrophobicContact CB-CD1 3.68Å
260V93.3Very high92.6Very high4 Ų46.4 Ų6.42%0.0243%0.033CC..Hα-helixtrans-74-36.1173.8-177.70000112.1V256 G257 S258 L264 L676 Y706 F709V256-V260 WeakPolarHBondContact O-CG2 3.26Å; V256-V260 PolarHBondContact O-N 2.84Å; G257-V260 PolarHBondContact O-N 2.85Å; G257-V260 VanDerWaalsContact O-N 3.12Å; S258-V260 PolarHBondContact O-N 2.92Å; V260-L264 HydrophobicContact CG1-CD1 3.47Å; V260-L264 VanDerWaalsContact CG1-CD1 3.47Å; V260-L264 HydrophobicContact CG1-CG 4.07Å; V260-L264 WeakPolarHBondContact O-CB 3.4Å; V260-L264 PolarHBondContact O-N 3.2Å; V260-L676 HydrophobicContact CG2-CB 3.91Å; V260-L676 HydrophobicContact CG2-CD1 3.81Å; V260-L676 HydrophobicContact CG2-CG 3.91Å; V260-Y706 HydrophobicContact CG1-CD2 4.27Å; V260-F709 HydrophobicContact CB-CD1 4.11Å; V260-F709 HydrophobicContact CB-CE1 3.91Å; V260-F709 HydrophobicContact CB-CZ 4.24Å; V260-F709 HydrophobicContact CG1-CB 4.33Å; V260-F709 HydrophobicContact CG1-CD1 3.6Å; V260-F709 HydrophobicContact CG1-CD2 4.36Å; V260-F709 HydrophobicContact CG1-CE1 3.94Å; V260-F709 HydrophobicContact CG1-CG 3.83Å; V260-F709 HydrophobicContact CG1-CZ 4.44Å; V260-F709 HydrophobicContact CG2-CD1 4.29Å; V260-F709 HydrophobicContact CG2-CD2 4.36Å; V260-F709 HydrophobicContact CG2-CE1 3.86Å; V260-F709 HydrophobicContact CG2-CE2 3.93Å; V260-F709 HydrophobicContact CG2-CZ 3.66Å
261F94.4Very high92.7Very high8 Ų86.3 Ų6.34%0.0353%0.032CC..Iπ-helixtrans-59.9-47.3173.9-176.7-95.5000111.2G257 S258 F265 V266 A608 L615 Y706G257-F261 WeakPolarHBondContact O-CB 3.41Å; G257-F261 PolarHBondContact O-N 3.34Å; S258-F261 WeakPolarHBondContact O-CB 3.23Å; S258-F261 PolarHBondContact O-N 3.1Å; F261-F265 HydrophobicContact CD2-CB 3.64Å; F261-F265 HydrophobicContact CD2-CD1 4.2Å; F261-F265 HydrophobicContact CD2-CD2 4.43Å; F261-F265 AromaticContact CD2-CG 3.86Å; F261-F265 HydrophobicContact CD2-CG 3.86Å; F261-F265 HydrophobicContact CE1-CD1 4.3Å; F261-F265 HydrophobicContact CE2-CB 3.82Å; F261-F265 AromaticContact CE2-CD1 3.46Å; F261-F265 HydrophobicContact CE2-CD1 3.46Å; F261-F265 VanDerWaalsContact CE2-CD1 3.46Å; F261-F265 HydrophobicContact CE2-CD2 4.09Å; F261-F265 AromaticContact CE2-CE1 4Å; F261-F265 HydrophobicContact CE2-CE1 4Å; F261-F265 AromaticContact CE2-CG 3.52Å; F261-F265 HydrophobicContact CE2-CG 3.52Å; F261-F265 HydrophobicContact CG-CB 4.06Å; F261-F265 HydrophobicContact CZ-CB 4.38Å; F261-F265 AromaticContact CZ-CD1 3.53Å; F261-F265 HydrophobicContact CZ-CD1 3.53Å; F261-F265 HydrophobicContact CZ-CE1 4.02Å; F261-F265 HydrophobicContact CZ-CG 4.06Å; F261-F265 CarbonylContact O-C 3.39Å; F261-F265 VanDerWaalsContact O-CA 3.25Å; F261-F265 WeakPolarHBondContact O-CA 3.23Å; F261-F265 WeakPolarHBondContact O-CB 3.49Å; F261-F265 PolarHBondContact O-N 3.01Å; F261-V266 HydrophobicContact CD1-CG2 3.87Å; F261-V266 HydrophobicContact CE1-CG2 3.8Å; F261-V266 PolarHBondContact O-N 3.39Å; F261-A608 HydrophobicContact CD2-CB 4Å; F261-A608 HydrophobicContact CE2-CB 3.85Å; F261-A608 HydrophobicContact CZ-CB 4.41Å; F261-L615 HydrophobicContact CE1-CB 4.28Å; F261-L615 HydrophobicContact CE1-CD2 4.49Å; F261-L615 HydrophobicContact CZ-CD2 4.1Å; F261-Y706 HydrophobicContact CB-CE2 4.16Å; F261-Y706 AromaticContact CD2-CE2 3.99Å; F261-Y706 HydrophobicContact CD2-CE2 3.99Å; F261-Y706 AromaticContact CD2-CZ 3.83Å
262N93Very high92.7Very high1 Ų18.7 Ų8.71%0.0054%0.044CC..Iπ-helixtrans-59.3-55.4175.1-77.9-11.1000111.8S258 L264 V266 I267 S634 N638S258-N262 VanDerWaalsContact O-CB 3.31Å; S258-N262 WeakPolarHBondContact O-CB 3.45Å; S258-N262 PolarHBondContact O-N 3.12Å; N262-L264 VanDerWaalsContact C-N 3.33Å; N262-L264 PolarHBondContact O-N 2.9Å; N262-V266 WeakPolarHBondContact O-CB 3.38Å; N262-I267 PolarHBondContact O-N 3.47Å; N262-S634 WeakPolarHBondContact CB-OG 3.47Å; N262-S634 PolarHBondContact O-OG 3.13Å; N262-N638 WeakPolarHBondContact CB-OD1 3.46Å; N262-N638 PolarHBondContact ND2-OD1 3.28Å
263I91.8Very high92.7Very high8 Ų813.6 Ų13.64%0.0417%0.066CC..Iπ-helixtrans-66.5-29.1-175.9-80.1164.1000113.9A259 Y292 N638 L680 V683A259-I263 WeakPolarHBondContact O-CB 3.36Å; A259-I263 PolarHBondContact O-N 3.06Å; A259-I263 VanDerWaalsContact O-N 3.13Å; I263-Y292 HydrophobicContact CD1-CD1 4.31Å; I263-Y292 HydrophobicContact CD1-CE1 3.48Å; I263-Y292 VanDerWaalsContact CD1-CE1 3.48Å; I263-N638 WeakPolarHBondContact CD1-ND2 3.42Å; I263-N638 VanDerWaalsContact CG1-ND2 3.35Å; I263-N638 WeakPolarHBondContact CG1-ND2 3.47Å; I263-L680 HydrophobicContact CD1-CD1 4.07Å; I263-V683 HydrophobicContact CG2-CB 4.27Å; I263-V683 HydrophobicContact CG2-CG1 4.24Å; I263-V683 HydrophobicContact CG2-CG2 3.72Å
264L93.8Very high92.5Very high0 Ų013.7 Ų13.70%07%0.066CC..Iπ-helixtrans-110.8-54.5-176.5-59.2-179.9000113.5V260 N262 G268 M679 V683 M702 L705 Y706V260-L264 HydrophobicContact CG1-CD1 3.47Å; V260-L264 VanDerWaalsContact CG1-CD1 3.47Å; V260-L264 HydrophobicContact CG1-CG 4.07Å; V260-L264 WeakPolarHBondContact O-CB 3.4Å; V260-L264 PolarHBondContact O-N 3.2Å; N262-L264 VanDerWaalsContact C-N 3.33Å; N262-L264 PolarHBondContact O-N 2.9Å; L264-G268 WeakPolarHBondContact O-CA 3.25Å; L264-G268 PolarHBondContact O-N 2.9Å; L264-M679 HydrophobicContact CD1-CE 3.6Å; L264-V683 HydrophobicContact CD2-CG2 3.33Å; L264-M702 HydrophobicContact CD2-SD 3.73Å; L264-M702 VanDerWaalsContact O-CB 3.25Å; L264-M702 WeakPolarHBondContact O-CB 3.39Å; L264-L705 HydrophobicContact CD1-CB 4.06Å; L264-L705 HydrophobicContact CD2-CB 4.15Å; L264-L705 HydrophobicContact CD2-CD1 4.34Å; L264-Y706 HydrophobicContact CB-CD2 4.35Å
265F94.6Very high92Very high43 Ų4320.4 Ų20.419%0.1899%0.091CC..Iπ-helixtrans-74.3-48.4-175.4-162.7-81.7000111.6F261 G268 M269 L615 F703 Y706F261-F265 HydrophobicContact CD2-CB 3.64Å; F261-F265 HydrophobicContact CD2-CD1 4.2Å; F261-F265 HydrophobicContact CD2-CD2 4.43Å; F261-F265 AromaticContact CD2-CG 3.86Å; F261-F265 HydrophobicContact CD2-CG 3.86Å; F261-F265 HydrophobicContact CE1-CD1 4.3Å; F261-F265 HydrophobicContact CE2-CB 3.82Å; F261-F265 AromaticContact CE2-CD1 3.46Å; F261-F265 HydrophobicContact CE2-CD1 3.46Å; F261-F265 VanDerWaalsContact CE2-CD1 3.46Å; F261-F265 HydrophobicContact CE2-CD2 4.09Å; F261-F265 AromaticContact CE2-CE1 4Å; F261-F265 HydrophobicContact CE2-CE1 4Å; F261-F265 AromaticContact CE2-CG 3.52Å; F261-F265 HydrophobicContact CE2-CG 3.52Å; F261-F265 HydrophobicContact CG-CB 4.06Å; F261-F265 HydrophobicContact CZ-CB 4.38Å; F261-F265 AromaticContact CZ-CD1 3.53Å; F261-F265 HydrophobicContact CZ-CD1 3.53Å; F261-F265 HydrophobicContact CZ-CE1 4.02Å; F261-F265 HydrophobicContact CZ-CG 4.06Å; F261-F265 CarbonylContact O-C 3.39Å; F261-F265 VanDerWaalsContact O-CA 3.25Å; F261-F265 WeakPolarHBondContact O-CA 3.23Å; F261-F265 WeakPolarHBondContact O-CB 3.49Å; F261-F265 PolarHBondContact O-N 3.01Å; F265-G268 CarbonylContact O-C 3.49Å; F265-G268 PolarHBondContact O-N 3.44Å; F265-M269 HydrophobicContact CD1-CG 3.8Å; F265-M269 HydrophobicContact CE1-CG 3.63Å; F265-M269 HydrophobicContact CE1-SD 4.08Å; F265-M269 HydrophobicContact CZ-CG 4.46Å; F265-M269 HydrophobicContact CZ-SD 4.45Å; F265-M269 WeakPolarHBondContact O-CB 3.11Å; F265-M269 VanDerWaalsContact O-CG 3.28Å; F265-M269 WeakPolarHBondContact O-CG 3.29Å; F265-M269 PolarHBondContact O-N 3.13Å; F265-L615 HydrophobicContact CD1-CD1 4.49Å; F265-L615 HydrophobicContact CD1-CD2 4.17Å; F265-L615 HydrophobicContact CE1-CD2 3.85Å; F265-F703 HydrophobicContact CD1-CE1 4.21Å; F265-F703 AromaticContact CD2-CD1 3.75Å; F265-F703 HydrophobicContact CD2-CD1 3.75Å; F265-F703 AromaticContact CD2-CE1 3.64Å; F265-F703 HydrophobicContact CD2-CE1 3.64Å; F265-F703 HydrophobicContact CE1-CE1 4.19Å; F265-F703 AromaticContact CE2-CD1 3.86Å; F265-F703 HydrophobicContact CE2-CD1 3.86Å; F265-F703 AromaticContact CE2-CE1 3.63Å; F265-F703 HydrophobicContact CE2-CE1 3.63Å; F265-F703 HydrophobicContact CG-CD1 4.38Å; F265-F703 AromaticContact CG-CE1 3.94Å; F265-F703 HydrophobicContact CG-CE1 3.94Å; F265-F703 AromaticContact CZ-CE1 3.91Å; F265-F703 HydrophobicContact CZ-CE1 3.91Å; F265-Y706 HydrophobicContact CB-CD2 4.34Å; F265-Y706 HydrophobicContact CB-CG 4.39Å; F265-Y706 AromaticContact CD2-CD1 3.75Å; F265-Y706 HydrophobicContact CD2-CD1 3.75Å; F265-Y706 AromaticContact CD2-CE1 3.79Å; F265-Y706 HydrophobicContact CD2-CE1 3.79Å; F265-Y706 HydrophobicContact CD2-CG 4.33Å; F265-Y706 HydrophobicContact CE2-CE1 4.43Å
266V92.7Very high91.5Very high1 Ų127.8 Ų27.81%0.00613%0.126CC..Iπ-helixtrans-67.3-49.2-179.3-1800000111.3F261 N262 G268 M269 C270 L615 S618F261-V266 HydrophobicContact CD1-CG2 3.87Å; F261-V266 HydrophobicContact CE1-CG2 3.8Å; F261-V266 PolarHBondContact O-N 3.39Å; N262-V266 WeakPolarHBondContact O-CB 3.38Å; V266-G268 PolarHBondContact O-N 3.08Å; V266-M269 PolarHBondContact O-N 3.02Å; V266-C270 WeakPolarHBondContact O-CB 3.38Å; V266-C270 PolarHBondContact O-N 3.36Å; V266-C270 PolarHBondContact O-SG 3.01Å; V266-L615 HydrophobicContact CB-CD1 4.37Å; V266-L615 HydrophobicContact CG1-CD1 4.29Å; V266-L615 HydrophobicContact CG2-CB 3.89Å; V266-L615 HydrophobicContact CG2-CD1 4.11Å; V266-S618 VanDerWaalsContact CG1-CB 3.5Å
267I90.9Very high91.1Very high10 Ų1031.9 Ų31.95%0.05115%0.147CC..Hα-helixtrans-60.6-36.2173.3-61.5-176.4000111N262 A271 V631 M694N262-I267 PolarHBondContact O-N 3.47Å; I267-A271 VanDerWaalsContact O-CB 3.31Å; I267-A271 WeakPolarHBondContact O-CB 3.31Å; I267-A271 PolarHBondContact O-N 2.93Å; I267-V631 HydrophobicContact CD1-CG1 4Å; I267-V631 HydrophobicContact CD1-CG2 4.31Å; I267-V631 HydrophobicContact CG1-CG2 4.28Å; I267-V631 HydrophobicContact CG2-CG2 4.45Å; I267-M694 HydrophobicContact CG2-SD 3.8Å
268G93.1Very high90.6Very high0 Ų032.1 Ų32.10%015%0.147CC..Hα-helixtrans-60.8-48.3173.700000113.4L264 F265 V266 A271 L272 F703L264-G268 WeakPolarHBondContact O-CA 3.25Å; L264-G268 PolarHBondContact O-N 2.9Å; F265-G268 CarbonylContact O-C 3.49Å; F265-G268 PolarHBondContact O-N 3.44Å; V266-G268 PolarHBondContact O-N 3.08Å; G268-A271 WeakPolarHBondContact O-CB 3.15Å; G268-A271 PolarHBondContact O-N 2.95Å; G268-L272 PolarHBondContact O-N 3.3Å; G268-L272 VanDerWaalsContact O-N 3.08Å; G268-F703 VanDerWaalsContact C-CZ 3.46Å; G268-F703 WeakPolarHBondContact O-CE2 3.47Å
269M93.3Very high90Very high40 Ų4037.9 Ų37.920%0.19717%0.174CC..Hα-helixtrans-62.3-48.6176.9-72.8-71.4-74.200110.8F265 V266 A271 L272 F273 L615 V619 F703F265-M269 HydrophobicContact CD1-CG 3.8Å; F265-M269 HydrophobicContact CE1-CG 3.63Å; F265-M269 HydrophobicContact CE1-SD 4.08Å; F265-M269 HydrophobicContact CZ-CG 4.46Å; F265-M269 HydrophobicContact CZ-SD 4.45Å; F265-M269 WeakPolarHBondContact O-CB 3.11Å; F265-M269 VanDerWaalsContact O-CG 3.28Å; F265-M269 WeakPolarHBondContact O-CG 3.29Å; F265-M269 PolarHBondContact O-N 3.13Å; V266-M269 PolarHBondContact O-N 3.02Å; M269-A271 PolarHBondContact O-N 3.09Å; M269-L272 PolarHBondContact O-N 2.93Å; M269-F273 HydrophobicContact CE-CD2 3.9Å; M269-F273 HydrophobicContact CE-CE2 3.48Å; M269-F273 VanDerWaalsContact CE-CE2 3.48Å; M269-F273 HydrophobicContact CE-CZ 4.31Å; M269-F273 WeakPolarHBondContact O-CD2 3.31Å; M269-F273 PolarHBondContact O-N 3.14Å; M269-F273 HydrophobicContact SD-CD2 4.15Å; M269-F273 HydrophobicContact SD-CE2 3.72Å; M269-L615 HydrophobicContact CB-CD1 3.51Å; M269-L615 HydrophobicContact CE-CD1 4.41Å; M269-L615 HydrophobicContact CG-CD1 3.54Å; M269-V619 HydrophobicContact CB-CG2 3.71Å; M269-F703 HydrophobicContact CB-CZ 4.29Å; M269-F703 HydrophobicContact CG-CE1 3.96Å; M269-F703 HydrophobicContact CG-CZ 3.59Å; M269-F703 VanDerWaalsContact N-CZ 3.35Å; M269-F703 HydrophobicContact SD-CE1 4.04Å; M269-F703 HydrophobicContact SD-CZ 3.63Å
270C91.3Very high89.5Confident2 Ų238.4 Ų38.41%0.01418%0.177CC..Hα-helixtrans-54.3-35.1173.6-69.10000112.7V266 S274 S618 A622 M694V266-C270 WeakPolarHBondContact O-CB 3.38Å; V266-C270 PolarHBondContact O-N 3.36Å; V266-C270 PolarHBondContact O-SG 3.01Å; C270-S274 WeakPolarHBondContact O-CB 3.34Å; C270-S274 PolarHBondContact O-N 3.06Å; C270-S618 VanDerWaalsContact SG-C 3.53Å; C270-S618 PolarHBondContact SG-O 3.39Å; C270-A622 HydrophobicContact CB-CB 3.69Å; C270-M694 HydrophobicContact CB-CE 3.92Å
271A91.2Very high89Confident1 Ų141.6 Ų41.61%0.00820%0.196CC..Hα-helixtrans-80.3-20.1178.500000114.8I267 G268 M269 M694 K696I267-A271 VanDerWaalsContact O-CB 3.31Å; I267-A271 WeakPolarHBondContact O-CB 3.31Å; I267-A271 PolarHBondContact O-N 2.93Å; G268-A271 WeakPolarHBondContact O-CB 3.15Å; G268-A271 PolarHBondContact O-N 2.95Å; M269-A271 PolarHBondContact O-N 3.09Å; A271-M694 HydrophobicContact CB-CE 4.25Å; A271-M694 HydrophobicContact CB-CG 3.42Å; A271-M694 VanDerWaalsContact CB-CG 3.42Å; A271-M694 HydrophobicContact CB-SD 3.87Å; A271-K696 WeakPolarHBondContact O-CA 3.38Å; A271-K696 WeakPolarHBondContact O-CG 3.35Å
272L91.5Very high88.5Confident53 Ų5346 Ų4628%0.27721%0.213SC..Hα-helixtrans-90.7-42.4175.1-71.4-173.7000112.4G268 M269 K696 F703G268-L272 PolarHBondContact O-N 3.3Å; G268-L272 VanDerWaalsContact O-N 3.08Å; M269-L272 PolarHBondContact O-N 2.93Å; L272-K696 HydrophobicContact CD2-CB 3.97Å; L272-K696 WeakPolarHBondContact CD2-O 3.26Å; L272-K696 VanDerWaalsContact O-CE 3.23Å; L272-K696 WeakPolarHBondContact O-CE 3.46Å; L272-K696 PolarHBondContact O-NZ 2.75Å; L272-F703 HydrophobicContact CD1-CD2 4Å; L272-F703 HydrophobicContact CD1-CE2 3.33Å; L272-F703 HydrophobicContact CD1-CZ 4.06Å; L272-F703 HydrophobicContact CG-CE2 3.84Å
273F90.4Very high88Confident110 Ų11047.2 Ų47.248%0.48222%0.217SC..Hα-helixtrans-88.9-5.1-173.3-74-84.5000114.2M269 R275 V619 R623M269-F273 HydrophobicContact CE-CD2 3.9Å; M269-F273 HydrophobicContact CE-CE2 3.48Å; M269-F273 VanDerWaalsContact CE-CE2 3.48Å; M269-F273 HydrophobicContact CE-CZ 4.31Å; M269-F273 WeakPolarHBondContact O-CD2 3.31Å; M269-F273 PolarHBondContact O-N 3.14Å; M269-F273 HydrophobicContact SD-CD2 4.15Å; M269-F273 HydrophobicContact SD-CE2 3.72Å; F273-R275 PolarHBondContact O-N 3.44Å; F273-V619 HydrophobicContact CB-CG1 3.98Å; F273-V619 HydrophobicContact CG-CG1 4.5Å; F273-R623 WeakPolarHBondContact O-CG 3.25Å
274S87.5Confident87.4Confident3 Ų348.3 Ų48.32%0.02123%0.225CC..  trans-63.8131.317267.60000111.5C270 E276C270-S274 WeakPolarHBondContact O-CB 3.34Å; C270-S274 PolarHBondContact O-N 3.06Å; S274-E276 WeakPolarHBondContact CB-O 3.37Å; S274-E276 PolarHBondContact O-N 3.32Å; S274-E276 PolarHBondContact OG-O 3.3Å
275R82.5Confident86.9Confident142 Ų14249.1 Ų49.154%0.53623%0.229SC..SBendtrans-64.8-27.9172.3-76.2178.9168.3158.8-5.3110.6F273 E511 E515F273-R275 PolarHBondContact O-N 3.44Å; R275-E511 IonicContact NH2-OE1 3.9Å; R275-E511 PolarHBondContact NH2-OE1 3.49Å; R275-E511 IonicContact NH2-OE2 2.74Å; R275-E515 IonicContact CZ-OE1 2.93Å; R275-E515 IonicContact NH1-OE1 3.78Å; R275-E515 PolarHBondContact NH1-OE1 3.23Å; R275-E515 VanDerWaalsContact NH1-OE1 3.16Å; R275-E515 IonicContact NH2-OE1 3.92Å
276E83.9Confident86.5Confident155 Ų15551.1 Ų51.172%0.72424%0.238SC*.SBendtrans-124.4173.4178.8-63.1-164.3167.500114.9S274 L278S274-E276 WeakPolarHBondContact CB-O 3.37Å; S274-E276 PolarHBondContact O-N 3.32Å; S274-E276 PolarHBondContact OG-O 3.3Å; E276-L278 PolarHBondContact O-N 3.46Å
277I83.8Confident86.2Confident87 Ų8751.9 Ų51.945%0.44624%0.24SC..  trans-76.8102.8170.4-61172.8000109.4H279 K693 N695I277-H279 PolarHBondContact O-CD2 3.06Å; I277-H279 PolarHBondContact O-N 3.38Å; I277-K693 HydrophobicContact CG2-CB 3.9Å; I277-K693 HydrophobicContact CG2-CD 4.33Å; I277-K693 HydrophobicContact CG2-CG 4.05Å; I277-N695 VanDerWaalsContact CG2-OD1 3.31Å; I277-N695 WeakPolarHBondContact CG2-OD1 3.5Å
278L82.3Confident86Confident6 Ų651.5 Ų51.53%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-67.6127.1-179.4-65.9169.6000111.1E276 A622 G625 M694E276-L278 PolarHBondContact O-N 3.46Å; L278-A622 HydrophobicContact CD1-CB 3.9Å; L278-G625 WeakPolarHBondContact CD2-O 3.5Å; L278-M694 HydrophobicContact CB-CB 4.19Å; L278-M694 HydrophobicContact CB-CE 4.24Å; L278-M694 HydrophobicContact CD1-CE 3.53Å; L278-M694 PolarHBondContact O-N 3.43Å
279H81.4Confident85.8Confident122 Ų12252 Ų5257%0.56524%0.242SC*.EExtended strand (participates in β ladder)trans-100.9107-177.9-95.3-90.8000110I277 K693I277-H279 PolarHBondContact O-CD2 3.06Å; I277-H279 PolarHBondContact O-N 3.38Å; H279-K693 PolarHBondContact CE1-NZ 2.77Å; H279-K693 VanDerWaalsContact CE1-NZ 3.32Å; H279-K693 PolarHBondContact NE2-NZ 3.33Å
280L82.4Confident85.7Confident11 Ų1152.2 Ų52.26%0.05825%0.247CC..  trans-83134.8-176.8-65.8170.8000111.3L285 D628 V631 I687 W692L280-L285 HydrophobicContact CD1-CD1 4.41Å; L280-D628 VanDerWaalsContact CA-OD1 3.24Å; L280-D628 WeakPolarHBondContact CA-OD1 3.42Å; L280-V631 HydrophobicContact CD2-CB 4.26Å; L280-V631 HydrophobicContact CD2-CG2 3.93Å; L280-I687 HydrophobicContact CD1-CG2 4Å; L280-W692 PolarHBondContact N-O 2.84Å; L280-W692 WeakPolarHBondContact O-CB 3.48Å
281T84Confident85.7Confident70 Ų7053.8 Ų53.843%0.42925%0.254SS..  trans-83.1132.5170.663.80000111W283 P284 D628T281-W283 VanDerWaalsContact C-N 3.27Å; T281-W283 PolarHBondContact O-N 3.26Å; T281-P284 WeakPolarHBondContact O-CD 3.38Å; T281-P284 VanDerWaalsContact OG1-CD 3.24Å; T281-P284 WeakPolarHBondContact OG1-CD 3.42Å; T281-D628 VanDerWaalsContact CB-OD2 3.25Å; T281-D628 WeakPolarHBondContact CB-OD2 3.48Å; T281-D628 WeakPolarHBondContact CG2-OD2 3.3Å; T281-D628 PolarHBondContact N-OD1 3.24Å; T281-D628 PolarHBondContact N-OD2 3.4Å; T281-D628 PolarHBondContact OG1-OD2 2.94Å
282W82.4Confident85.8Confident102 Ų10253.8 Ų53.839%0.38625%0.253SS..Hα-helixtrans-63.5-30.1-174.3-175.660.9000114.1F286 F337 W692W282-F286 HydrophobicContact CD2-CB 4.22Å; W282-F286 AromaticContact CE2-CG 3.94Å; W282-F286 HydrophobicContact CH2-CB 4.36Å; W282-F286 AromaticContact CH2-CD1 3.8Å; W282-F286 HydrophobicContact CH2-CD1 3.8Å; W282-F286 HydrophobicContact CH2-CD2 4.16Å; W282-F286 HydrophobicContact CH2-CE1 4.14Å; W282-F286 HydrophobicContact CH2-CE2 4.47Å; W282-F286 AromaticContact CH2-CG 3.81Å; W282-F286 HydrophobicContact CH2-CG 3.81Å; W282-F286 HydrophobicContact CH2-CZ 4.46Å; W282-F286 HydrophobicContact CZ2-CB 3.88Å; W282-F286 AromaticContact CZ2-CD1 3.98Å; W282-F286 HydrophobicContact CZ2-CD1 3.98Å; W282-F286 AromaticContact CZ2-CD2 3.55Å; W282-F286 HydrophobicContact CZ2-CD2 3.55Å; W282-F286 HydrophobicContact CZ2-CE1 4.47Å; W282-F286 HydrophobicContact CZ2-CE2 4.09Å; W282-F286 AromaticContact CZ2-CG 3.49Å; W282-F286 HydrophobicContact CZ2-CG 3.49Å; W282-F286 VanDerWaalsContact CZ2-CG 3.49Å; W282-F286 HydrophobicContact CZ3-CD1 4.37Å; W282-F286 WeakPolarHBondContact O-CB 3.34Å; W282-F286 PolarHBondContact O-N 3.36Å; W282-F337 HydrophobicContact CH2-CZ 4.47Å; W282-F337 AromaticContact CZ3-CE1 3.95Å; W282-F337 HydrophobicContact CZ3-CE1 3.95Å; W282-F337 HydrophobicContact CZ3-CZ 4.21Å; W282-W692 AromaticContact CD1-CE2 3.59Å; W282-W692 AromaticContact CD1-CH2 3.41Å; W282-W692 VanDerWaalsContact CD1-CH2 3.41Å; W282-W692 AromaticContact CD1-CZ2 3.29Å; W282-W692 AromaticContact CD1-CZ3 3.79Å; W282-W692 HydrophobicContact CG-CZ2 4.46Å; W282-W692 AromaticContact NE1-CH2 3.84Å; W282-W692 AromaticContact NE1-CZ2 3.7Å
283W82.6Confident85.9Confident26 Ų2653.3 Ų53.310%0.09825%0.251CS..Hα-helixtrans-74.6-50.3-166.6174.6-99.9000114.8T281 R287 N330 E334 F337T281-W283 VanDerWaalsContact C-N 3.27Å; T281-W283 PolarHBondContact O-N 3.26Å; W283-R287 VanDerWaalsContact O-CB 3.29Å; W283-R287 WeakPolarHBondContact O-CB 3.47Å; W283-R287 PolarHBondContact O-N 3Å; W283-N330 PolarHBondContact NE1-OD1 3.09Å; W283-E334 HydrophobicContact CD2-CG 4.39Å; W283-E334 HydrophobicContact CG-CG 4.15Å; W283-E334 HydrophobicContact CZ2-CB 4.26Å; W283-F337 AromaticContact CE3-CD1 3.71Å; W283-F337 HydrophobicContact CE3-CD1 3.71Å; W283-F337 AromaticContact CE3-CE1 3.99Å; W283-F337 HydrophobicContact CE3-CE1 3.99Å; W283-F337 HydrophobicContact CE3-CG 4.22Å; W283-F337 HydrophobicContact CH2-CB 3.65Å; W283-F337 AromaticContact CH2-CD1 3.98Å; W283-F337 HydrophobicContact CH2-CD1 3.98Å; W283-F337 HydrophobicContact CH2-CD2 4.03Å; W283-F337 AromaticContact CH2-CG 3.61Å; W283-F337 HydrophobicContact CH2-CG 3.61Å; W283-F337 HydrophobicContact CZ2-CB 4.42Å; W283-F337 HydrophobicContact CZ3-CB 3.85Å; W283-F337 AromaticContact CZ3-CD1 3.23Å; W283-F337 HydrophobicContact CZ3-CD1 3.23Å; W283-F337 AromaticContact CZ3-CD2 3.77Å; W283-F337 HydrophobicContact CZ3-CD2 3.77Å; W283-F337 AromaticContact CZ3-CE1 3.62Å; W283-F337 HydrophobicContact CZ3-CE1 3.62Å; W283-F337 HydrophobicContact CZ3-CE2 4.1Å; W283-F337 AromaticContact CZ3-CG 3.31Å; W283-F337 HydrophobicContact CZ3-CG 3.31Å; W283-F337 HydrophobicContact CZ3-CZ 4.03Å
284P80.2Confident86.1Confident30 Ų3052.5 Ų52.520%0.19525%0.251CS..Hα-helixtrans-61.7-48.8177.3-21.334.4000111.3T281 F286 R287 D288T281-P284 WeakPolarHBondContact O-CD 3.38Å; T281-P284 VanDerWaalsContact OG1-CD 3.24Å; T281-P284 WeakPolarHBondContact OG1-CD 3.42Å; P284-F286 PolarHBondContact O-N 3.44Å; P284-R287 WeakPolarHBondContact O-CB 3.2Å; P284-R287 PolarHBondContact O-N 3.01Å; P284-R287 VanDerWaalsContact O-N 3.14Å; P284-D288 PolarHBondContact O-N 3.44Å
285L83.1Confident86.4Confident18 Ų1852.3 Ų52.39%0.09425%0.25CC..Hα-helixtrans-58.9-49.3178.9-170.6157.8000111.6L280 R287 D288 V289 V631 I687 W692L280-L285 HydrophobicContact CD1-CD1 4.41Å; L285-R287 VanDerWaalsContact C-N 3.3Å; L285-R287 PolarHBondContact O-N 3.09Å; L285-D288 PolarHBondContact O-N 3.11Å; L285-V289 HydrophobicContact CD2-CG2 3.91Å; L285-V289 HydrophobicContact CG-CG2 4.25Å; L285-V289 WeakPolarHBondContact O-CB 3.48Å; L285-V289 VanDerWaalsContact O-CG2 3.23Å; L285-V289 WeakPolarHBondContact O-CG2 3.45Å; L285-V289 PolarHBondContact O-N 3.37Å; L285-V631 HydrophobicContact CD1-CG1 4.04Å; L285-I687 HydrophobicContact CD1-CD1 4.17Å; L285-W692 HydrophobicContact CD1-CZ3 4.1Å; L285-W692 HydrophobicContact CD2-CH2 4.33Å; L285-W692 HydrophobicContact CD2-CZ3 3.94Å; L285-W692 HydrophobicContact CG-CZ3 4.48Å
286F85.8Confident86.9Confident84 Ų8445.6 Ų45.637%0.36822%0.224SC..Hα-helixtrans-60.7-38.6177175-102.7000112.8W282 P284 S290W282-F286 HydrophobicContact CD2-CB 4.22Å; W282-F286 AromaticContact CE2-CG 3.94Å; W282-F286 HydrophobicContact CH2-CB 4.36Å; W282-F286 AromaticContact CH2-CD1 3.8Å; W282-F286 HydrophobicContact CH2-CD1 3.8Å; W282-F286 HydrophobicContact CH2-CD2 4.16Å; W282-F286 HydrophobicContact CH2-CE1 4.14Å; W282-F286 HydrophobicContact CH2-CE2 4.47Å; W282-F286 AromaticContact CH2-CG 3.81Å; W282-F286 HydrophobicContact CH2-CG 3.81Å; W282-F286 HydrophobicContact CH2-CZ 4.46Å; W282-F286 HydrophobicContact CZ2-CB 3.88Å; W282-F286 AromaticContact CZ2-CD1 3.98Å; W282-F286 HydrophobicContact CZ2-CD1 3.98Å; W282-F286 AromaticContact CZ2-CD2 3.55Å; W282-F286 HydrophobicContact CZ2-CD2 3.55Å; W282-F286 HydrophobicContact CZ2-CE1 4.47Å; W282-F286 HydrophobicContact CZ2-CE2 4.09Å; W282-F286 AromaticContact CZ2-CG 3.49Å; W282-F286 HydrophobicContact CZ2-CG 3.49Å; W282-F286 VanDerWaalsContact CZ2-CG 3.49Å; W282-F286 HydrophobicContact CZ3-CD1 4.37Å; W282-F286 WeakPolarHBondContact O-CB 3.34Å; W282-F286 PolarHBondContact O-N 3.36Å; P284-F286 PolarHBondContact O-N 3.44Å; F286-S290 VanDerWaalsContact O-CB 3.22Å; F286-S290 WeakPolarHBondContact O-CB 3.34Å; F286-S290 PolarHBondContact O-N 3.02Å; F286-S290 VanDerWaalsContact O-N 3.08Å; F286-S290 PolarHBondContact O-OG 3.43Å
287R86.1Confident87.4Confident17 Ų1741.9 Ų41.96%0.06421%0.209CC..Hα-helixtrans-60.6-59.7176.4170.3-162.972.1-160.82.8110.6W283 P284 L285 S290 F291 F326 M327 N330W283-R287 VanDerWaalsContact O-CB 3.29Å; W283-R287 WeakPolarHBondContact O-CB 3.47Å; W283-R287 PolarHBondContact O-N 3Å; P284-R287 WeakPolarHBondContact O-CB 3.2Å; P284-R287 PolarHBondContact O-N 3.01Å; P284-R287 VanDerWaalsContact O-N 3.14Å; L285-R287 VanDerWaalsContact C-N 3.3Å; L285-R287 PolarHBondContact O-N 3.09Å; R287-S290 WeakPolarHBondContact O-CB 3.38Å; R287-S290 PolarHBondContact O-N 2.68Å; R287-S290 VanDerWaalsContact O-N 3.15Å; R287-F291 HydrophobicContact CG-CE2 4.46Å; R287-F291 WeakPolarHBondContact O-CD2 3.48Å; R287-F291 PolarHBondContact O-N 2.99Å; R287-F326 HydrophobicContact CG-CD1 4.46Å; R287-F326 HydrophobicContact CG-CE1 3.78Å; R287-M327 PolarHBondContact NE-SD 2.98Å; R287-M327 VanDerWaalsContact NE-SD 3.37Å; R287-N330 VanDerWaalsContact NH1-CG 3.26Å; R287-N330 PolarHBondContact NH1-ND2 2.82Å; R287-N330 PolarHBondContact NH1-OD1 3.37Å
288D87.6Confident87.8Confident2 Ų238.4 Ų38.41%0.01119%0.191CC..Hα-helixtrans-67.3-44.9-170.8-58.9-27.1000110.8P284 L285 S290 F291 Y292 Y323 S632 V635 I639P284-D288 PolarHBondContact O-N 3.44Å; L285-D288 PolarHBondContact O-N 3.11Å; D288-S290 PolarHBondContact O-N 2.83Å; D288-F291 PolarHBondContact O-N 3.45Å; D288-F291 VanDerWaalsContact O-N 3.09Å; D288-Y292 PolarHBondContact O-N 2.81Å; D288-Y323 WeakPolarHBondContact OD1-CE2 3.19Å; D288-Y323 PolarHBondContact OD1-OH 2.87Å; D288-S632 PolarHBondContact OD2-OG 2.9Å; D288-V635 HydrophobicContact CB-CG1 3.74Å; D288-I639 HydrophobicContact CB-CD1 3.96Å
289V88.8Confident88.3Confident11 Ų1138.1 Ų38.17%0.06719%0.189CC..Hα-helixtrans-61.2-31174.6171.40000112.6L285 Y292 I293 V635 L680 I684L285-V289 HydrophobicContact CD2-CG2 3.91Å; L285-V289 HydrophobicContact CG-CG2 4.25Å; L285-V289 WeakPolarHBondContact O-CB 3.48Å; L285-V289 VanDerWaalsContact O-CG2 3.23Å; L285-V289 WeakPolarHBondContact O-CG2 3.45Å; L285-V289 PolarHBondContact O-N 3.37Å; V289-Y292 PolarHBondContact O-N 2.81Å; V289-I293 HydrophobicContact CG1-CD1 3.81Å; V289-I293 HydrophobicContact CG1-CG1 4.24Å; V289-I293 VanDerWaalsContact O-CB 3.32Å; V289-I293 WeakPolarHBondContact O-CB 3.29Å; V289-I293 VanDerWaalsContact O-CG1 3.25Å; V289-I293 WeakPolarHBondContact O-CG1 2.99Å; V289-I293 PolarHBondContact O-N 3.12Å; V289-V635 HydrophobicContact CG2-CG1 4.25Å; V289-L680 HydrophobicContact CG1-CD1 4.28Å; V289-I684 HydrophobicContact CG1-CD1 3.29Å; V289-I684 HydrophobicContact CG1-CG1 3.82Å
290S90.6Very high88.7Confident45 Ų4533.7 Ų33.732%0.31517%0.17SC..Hα-helixtrans-70.1-33175.3-65.50000113F286 R287 D288 L294F286-S290 VanDerWaalsContact O-CB 3.22Å; F286-S290 WeakPolarHBondContact O-CB 3.34Å; F286-S290 PolarHBondContact O-N 3.02Å; F286-S290 VanDerWaalsContact O-N 3.08Å; F286-S290 PolarHBondContact O-OG 3.43Å; R287-S290 WeakPolarHBondContact O-CB 3.38Å; R287-S290 PolarHBondContact O-N 2.68Å; R287-S290 VanDerWaalsContact O-N 3.15Å; D288-S290 PolarHBondContact O-N 2.83Å; S290-L294 PolarHBondContact O-N 3.4Å
291F92.5Very high89.1Confident34 Ų3435.9 Ų35.915%0.14918%0.181CC..Hα-helixtrans-70.5-50.2170.3-78.5-81.7000110.1R287 D288 I293 L294 D295 Y323 F326R287-F291 HydrophobicContact CG-CE2 4.46Å; R287-F291 WeakPolarHBondContact O-CD2 3.48Å; R287-F291 PolarHBondContact O-N 2.99Å; D288-F291 PolarHBondContact O-N 3.45Å; D288-F291 VanDerWaalsContact O-N 3.09Å; F291-I293 VanDerWaalsContact C-N 3.31Å; F291-I293 PolarHBondContact O-N 3.15Å; F291-L294 WeakPolarHBondContact O-CA 3.44Å; F291-L294 WeakPolarHBondContact O-CB 3.47Å; F291-L294 PolarHBondContact O-N 3.28Å; F291-D295 PolarHBondContact O-N 3.4Å; F291-D295 VanDerWaalsContact O-OD2 3.11Å; F291-Y323 HydrophobicContact CB-CD2 4.14Å; F291-Y323 HydrophobicContact CD1-CD2 4.21Å; F291-Y323 AromaticContact CD2-CD2 3.63Å; F291-Y323 HydrophobicContact CD2-CD2 3.63Å; F291-Y323 HydrophobicContact CD2-CE2 4.15Å; F291-Y323 HydrophobicContact CE2-CD2 4.06Å; F291-Y323 AromaticContact CG-CD2 3.73Å; F291-Y323 HydrophobicContact CG-CD2 3.73Å; F291-F326 HydrophobicContact CE2-CB 4.46Å; F291-F326 AromaticContact CE2-CD1 3.84Å; F291-F326 HydrophobicContact CE2-CD1 3.84Å; F291-F326 HydrophobicContact CE2-CD2 4.18Å; F291-F326 HydrophobicContact CE2-CE1 4.05Å; F291-F326 HydrophobicContact CE2-CE2 4.33Å; F291-F326 AromaticContact CE2-CG 3.92Å; F291-F326 HydrophobicContact CE2-CG 3.92Å; F291-F326 HydrophobicContact CE2-CZ 4.28Å; F291-F326 HydrophobicContact CZ-CB 3.92Å; F291-F326 HydrophobicContact CZ-CD1 4.08Å; F291-F326 AromaticContact CZ-CD2 3.73Å; F291-F326 HydrophobicContact CZ-CD2 3.73Å; F291-F326 HydrophobicContact CZ-CE2 4.18Å; F291-F326 AromaticContact CZ-CG 3.66Å; F291-F326 HydrophobicContact CZ-CG 3.66Å
292Y93Very high89.4Confident1 Ų132.9 Ų32.90%0.00416%0.162CC..Hα-helixtrans-56.7-40.6179.6-168.2-125.8000113.4I263 D288 V289 L294 D295 L296 N638 I639 I642 L680I263-Y292 HydrophobicContact CD1-CD1 4.31Å; I263-Y292 HydrophobicContact CD1-CE1 3.48Å; I263-Y292 VanDerWaalsContact CD1-CE1 3.48Å; D288-Y292 PolarHBondContact O-N 2.81Å; V289-Y292 PolarHBondContact O-N 2.81Å; Y292-L294 VanDerWaalsContact C-N 3.35Å; Y292-L294 PolarHBondContact O-N 3.17Å; Y292-D295 PolarHBondContact O-N 3.31Å; Y292-L296 HydrophobicContact CD1-CD1 3.98Å; Y292-L296 HydrophobicContact CD2-CG 4.42Å; Y292-L296 HydrophobicContact CE1-CD1 3.63Å; Y292-L296 HydrophobicContact CE1-CG 4.41Å; Y292-L296 HydrophobicContact CE2-CD1 4.28Å; Y292-L296 HydrophobicContact CE2-CD2 4.33Å; Y292-L296 HydrophobicContact CE2-CG 4.18Å; Y292-L296 HydrophobicContact CG-CD1 4.4Å; Y292-L296 WeakPolarHBondContact O-CB 3.48Å; Y292-L296 VanDerWaalsContact O-CG 3.24Å; Y292-L296 WeakPolarHBondContact O-CG 3.49Å; Y292-L296 PolarHBondContact O-N 2.85Å; Y292-N638 HydrophobicContact CE2-CB 3.86Å; Y292-N638 WeakPolarHBondContact CE2-O 3.43Å; Y292-I639 HydrophobicContact CD2-CG1 3.82Å; Y292-I639 HydrophobicContact CG-CG1 4.13Å; Y292-I642 HydrophobicContact CE2-CG1 3.8Å; Y292-L680 HydrophobicContact CD1-CD1 3.92Å; Y292-L680 HydrophobicContact CD1-CD2 3.43Å; Y292-L680 VanDerWaalsContact CD1-CD2 3.43Å; Y292-L680 HydrophobicContact CD1-CG 4.29Å; Y292-L680 HydrophobicContact CE1-CD1 4.13Å; Y292-L680 HydrophobicContact CE1-CD2 3.75Å; Y292-L680 HydrophobicContact CE1-CG 4.43Å; Y292-L680 HydrophobicContact CG-CD2 4.47Å
293I93.4Very high89.7Confident43 Ų4328.2 Ų28.222%0.22114%0.144CC..Hα-helixtrans-60.4-41.3172-77.9172.8000112.1V289 F291 I297 F677 L680 L681 I684V289-I293 HydrophobicContact CG1-CD1 3.81Å; V289-I293 HydrophobicContact CG1-CG1 4.24Å; V289-I293 VanDerWaalsContact O-CB 3.32Å; V289-I293 WeakPolarHBondContact O-CB 3.29Å; V289-I293 VanDerWaalsContact O-CG1 3.25Å; V289-I293 WeakPolarHBondContact O-CG1 2.99Å; V289-I293 PolarHBondContact O-N 3.12Å; F291-I293 VanDerWaalsContact C-N 3.31Å; F291-I293 PolarHBondContact O-N 3.15Å; I293-I297 HydrophobicContact CG2-CD1 3.88Å; I293-I297 WeakPolarHBondContact O-CB 3.39Å; I293-I297 WeakPolarHBondContact O-CD1 3.49Å; I293-I297 WeakPolarHBondContact O-CG1 3.07Å; I293-I297 PolarHBondContact O-N 2.87Å; I293-F677 HydrophobicContact CG2-CE2 4.22Å; I293-L680 HydrophobicContact CG1-CD2 3.66Å; I293-L681 HydrophobicContact CD1-CD2 4.16Å; I293-I684 HydrophobicContact CD1-CD1 3.91Å
294L94.1Very high89.8Confident93 Ų9330.8 Ų30.849%0.48716%0.16SC..Hα-helixtrans-68-44.4178.9-176.9157.2000111S290 F291 Y292 I297 L298S290-L294 PolarHBondContact O-N 3.4Å; F291-L294 WeakPolarHBondContact O-CA 3.44Å; F291-L294 WeakPolarHBondContact O-CB 3.47Å; F291-L294 PolarHBondContact O-N 3.28Å; Y292-L294 VanDerWaalsContact C-N 3.35Å; Y292-L294 PolarHBondContact O-N 3.17Å; L294-I297 PolarHBondContact O-N 3.08Å; L294-L298 WeakPolarHBondContact O-CB 3.24Å; L294-L298 PolarHBondContact O-N 3.19Å
295D93.8Very high90.1Very high0 Ų032.1 Ų32.10%017%0.165CC..Hα-helixtrans-68.6-36.2-178.8-63.3-41.8000111.7F291 Y292 L298 L299 C319 I642 T643F291-D295 PolarHBondContact O-N 3.4Å; F291-D295 VanDerWaalsContact O-OD2 3.11Å; Y292-D295 PolarHBondContact O-N 3.31Å; D295-L298 PolarHBondContact O-N 3.16Å; D295-L299 WeakPolarHBondContact O-CB 3.39Å; D295-L299 PolarHBondContact O-N 2.91Å; D295-C319 WeakPolarHBondContact OD1-CB 3.17Å; D295-I642 HydrophobicContact CB-CG2 4.36Å; D295-T643 HydrophobicContact CB-CG2 3.71Å; D295-T643 VanDerWaalsContact CG-CG2 3.43Å
296L93.4Very high90.2Very high0 Ų033.7 Ų33.70%017%0.174CC..Hα-helixtrans-68.1-41.4171.1-72.1175.6000113.1Y292 L298 L299 I300 I642 L676 F677 L680Y292-L296 HydrophobicContact CD1-CD1 3.98Å; Y292-L296 HydrophobicContact CD2-CG 4.42Å; Y292-L296 HydrophobicContact CE1-CD1 3.63Å; Y292-L296 HydrophobicContact CE1-CG 4.41Å; Y292-L296 HydrophobicContact CE2-CD1 4.28Å; Y292-L296 HydrophobicContact CE2-CD2 4.33Å; Y292-L296 HydrophobicContact CE2-CG 4.18Å; Y292-L296 HydrophobicContact CG-CD1 4.4Å; Y292-L296 WeakPolarHBondContact O-CB 3.48Å; Y292-L296 VanDerWaalsContact O-CG 3.24Å; Y292-L296 WeakPolarHBondContact O-CG 3.49Å; Y292-L296 PolarHBondContact O-N 2.85Å; L296-L298 PolarHBondContact O-N 3.4Å; L296-L299 PolarHBondContact O-N 2.85Å; L296-I300 WeakPolarHBondContact O-CB 3.42Å; L296-I300 VanDerWaalsContact O-CG1 3.25Å; L296-I300 WeakPolarHBondContact O-CG1 3.2Å; L296-I300 PolarHBondContact O-N 2.93Å; L296-I642 HydrophobicContact CD2-CD1 4.25Å; L296-I642 HydrophobicContact CD2-CG1 4.14Å; L296-I642 HydrophobicContact CD2-CG2 4.47Å; L296-L676 HydrophobicContact CD1-CD2 3.4Å; L296-L676 HydrophobicContact CD2-CD2 3.41Å; L296-L676 VanDerWaalsContact CD2-CD2 3.41Å; L296-L676 HydrophobicContact CG-CD2 4.04Å; L296-F677 HydrophobicContact CB-CD2 4.08Å; L296-F677 HydrophobicContact CD1-CD2 4.33Å; L296-L680 HydrophobicContact CD1-CD2 3.71Å
297I93.3Very high90.3Very high77 Ų7732 Ų3240%0.39517%0.17SC..Hα-helixtrans-60.1-39.7173.2-73.5165000110I293 L294 I301 F677I293-I297 HydrophobicContact CG2-CD1 3.88Å; I293-I297 WeakPolarHBondContact O-CB 3.39Å; I293-I297 WeakPolarHBondContact O-CD1 3.49Å; I293-I297 WeakPolarHBondContact O-CG1 3.07Å; I293-I297 PolarHBondContact O-N 2.87Å; L294-I297 PolarHBondContact O-N 3.08Å; I297-I301 HydrophobicContact CG2-CD1 4Å; I297-I301 WeakPolarHBondContact O-CD1 3.47Å; I297-I301 VanDerWaalsContact O-CG1 3.28Å; I297-I301 WeakPolarHBondContact O-CG1 3.25Å; I297-I301 PolarHBondContact O-N 2.93Å; I297-I301 VanDerWaalsContact O-N 3.1Å; I297-F677 HydrophobicContact CD1-CE2 4.07Å; I297-F677 HydrophobicContact CD1-CZ 4.27Å; I297-F677 HydrophobicContact CG1-CE2 3.71Å; I297-F677 HydrophobicContact CG1-CZ 4.13Å
298L92.9Very high90.5Very high14 Ų1431.2 Ų31.27%0.07317%0.167CC..Hα-helixtrans-66.5-44.4177.3-174.361.9000112.1L294 D295 L296 I300 I301 F302 M315 L316L294-L298 WeakPolarHBondContact O-CB 3.24Å; L294-L298 PolarHBondContact O-N 3.19Å; D295-L298 PolarHBondContact O-N 3.16Å; L296-L298 PolarHBondContact O-N 3.4Å; L298-I300 PolarHBondContact O-N 3.48Å; L298-I301 PolarHBondContact O-N 3.49Å; L298-F302 HydrophobicContact CD1-CD1 4.44Å; L298-F302 HydrophobicContact CD1-CE1 3.78Å; L298-F302 HydrophobicContact CD1-CE2 3.94Å; L298-F302 HydrophobicContact CD1-CZ 3.53Å; L298-F302 HydrophobicContact CD2-CE2 3.94Å; L298-F302 HydrophobicContact CD2-CZ 4.1Å; L298-F302 HydrophobicContact CG-CD2 4.15Å; L298-F302 HydrophobicContact CG-CE1 4.36Å; L298-F302 HydrophobicContact CG-CE2 3.61Å; L298-F302 HydrophobicContact CG-CZ 3.75Å; L298-F302 WeakPolarHBondContact O-CG 3.45Å; L298-F302 PolarHBondContact O-N 3.42Å; L298-M315 HydrophobicContact CD1-CE 3.54Å; L298-M315 HydrophobicContact CD2-CE 3.96Å; L298-M315 HydrophobicContact CG-CE 4.38Å; L298-L316 HydrophobicContact CD2-CD2 4.15Å; L298-L316 HydrophobicContact CD2-CG 4.42Å
299L92.1Very high90.8Very high0 Ų033.8 Ų33.80%018%0.18CC..Hα-helixtrans-60.3-44.7175.5-171.372.8000111.8D295 L296 I301 F302 F303 L316 I642 L646 W650 I673D295-L299 WeakPolarHBondContact O-CB 3.39Å; D295-L299 PolarHBondContact O-N 2.91Å; L296-L299 PolarHBondContact O-N 2.85Å; L299-I301 VanDerWaalsContact C-N 3.28Å; L299-I301 PolarHBondContact O-N 3.43Å; L299-F302 PolarHBondContact O-N 3.47Å; L299-F302 VanDerWaalsContact O-N 3.15Å; L299-F303 HydrophobicContact CD1-CD2 4.02Å; L299-F303 HydrophobicContact CD1-CE2 3.5Å; L299-F303 VanDerWaalsContact CD1-CE2 3.5Å; L299-F303 HydrophobicContact CD1-CZ 4.3Å; L299-F303 HydrophobicContact CG-CD2 4.12Å; L299-F303 HydrophobicContact CG-CE2 3.95Å; L299-F303 VanDerWaalsContact O-CD2 3.27Å; L299-F303 WeakPolarHBondContact O-CD2 3.48Å; L299-F303 PolarHBondContact O-N 3.44Å; L299-L316 HydrophobicContact CD1-CD1 4.12Å; L299-I642 HydrophobicContact CD2-CD1 4.04Å; L299-I642 HydrophobicContact CD2-CG2 4.19Å; L299-L646 HydrophobicContact CD1-CD1 3.99Å; L299-L646 HydrophobicContact CD2-CD1 3.92Å; L299-W650 HydrophobicContact CD1-CH2 4.07Å; L299-W650 HydrophobicContact CD1-CZ3 4.29Å; L299-I673 HydrophobicContact CD2-CD1 4.05Å; L299-I673 HydrophobicContact CD2-CG1 4.47Å; L299-I673 HydrophobicContact CD2-CG2 4.03Å; L299-I673 HydrophobicContact CG-CD1 4.49Å
300I90.8Very high91Very high30 Ų3037.9 Ų37.915%0.15419%0.194CC..Hα-helixtrans-59.1-40.1176.3-71.6166.6000110.9L296 L298 F303 L304 F670 I673 V674 F677L296-I300 WeakPolarHBondContact O-CB 3.42Å; L296-I300 VanDerWaalsContact O-CG1 3.25Å; L296-I300 WeakPolarHBondContact O-CG1 3.2Å; L296-I300 PolarHBondContact O-N 2.93Å; L298-I300 PolarHBondContact O-N 3.48Å; I300-F303 PolarHBondContact O-N 3.29Å; I300-L304 WeakPolarHBondContact O-CG 3.41Å; I300-F670 HydrophobicContact CG2-CE2 3.95Å; I300-F670 HydrophobicContact CG2-CZ 4.2Å; I300-I673 HydrophobicContact CD1-CG2 4.3Å; I300-I673 HydrophobicContact CG1-CG2 3.63Å; I300-V674 HydrophobicContact CD1-CG2 4.33Å; I300-V674 HydrophobicContact CG1-CG2 4.43Å; I300-V674 HydrophobicContact CG2-CG2 4.5Å; I300-F677 HydrophobicContact CD1-CB 4.01Å; I300-F677 HydrophobicContact CD1-CD2 4.47Å; I300-F677 HydrophobicContact CD1-CG 4.19Å
301I90.5Very high91.2Very high57 Ų5739.2 Ų39.229%0.29219%0.192SC..Hα-helixtrans-65.2-41.1176.2-70.3162.9000111.6I297 L298 L299 F303 L304I297-I301 HydrophobicContact CG2-CD1 4Å; I297-I301 WeakPolarHBondContact O-CD1 3.47Å; I297-I301 VanDerWaalsContact O-CG1 3.28Å; I297-I301 WeakPolarHBondContact O-CG1 3.25Å; I297-I301 PolarHBondContact O-N 2.93Å; I297-I301 VanDerWaalsContact O-N 3.1Å; L298-I301 PolarHBondContact O-N 3.49Å; L299-I301 VanDerWaalsContact C-N 3.28Å; L299-I301 PolarHBondContact O-N 3.43Å; I301-F303 VanDerWaalsContact C-N 3.31Å; I301-F303 PolarHBondContact O-N 2.97Å; I301-L304 WeakPolarHBondContact O-CB 3.22Å; I301-L304 WeakPolarHBondContact O-CG 3.41Å; I301-L304 PolarHBondContact O-N 2.82Å
302F90.2Very high91.2Very high6 Ų637.9 Ų37.93%0.02619%0.186CC..Hα-helixtrans-71.4-22.5179-64.3-24.3000113.9L298 L299 L304 I308 W311 E312 M315 L316L298-F302 HydrophobicContact CD1-CD1 4.44Å; L298-F302 HydrophobicContact CD1-CE1 3.78Å; L298-F302 HydrophobicContact CD1-CE2 3.94Å; L298-F302 HydrophobicContact CD1-CZ 3.53Å; L298-F302 HydrophobicContact CD2-CE2 3.94Å; L298-F302 HydrophobicContact CD2-CZ 4.1Å; L298-F302 HydrophobicContact CG-CD2 4.15Å; L298-F302 HydrophobicContact CG-CE1 4.36Å; L298-F302 HydrophobicContact CG-CE2 3.61Å; L298-F302 HydrophobicContact CG-CZ 3.75Å; L298-F302 WeakPolarHBondContact O-CG 3.45Å; L298-F302 PolarHBondContact O-N 3.42Å; L299-F302 PolarHBondContact O-N 3.47Å; L299-F302 VanDerWaalsContact O-N 3.15Å; F302-L304 VanDerWaalsContact C-N 3.28Å; F302-L304 PolarHBondContact O-N 2.92Å; F302-I308 HydrophobicContact CB-CD1 4.01Å; F302-I308 WeakPolarHBondContact O-CD1 3.39Å; F302-W311 HydrophobicContact CE1-CH2 4.13Å; F302-W311 HydrophobicContact CE1-CZ3 4.14Å; F302-W311 HydrophobicContact CZ-CZ3 4.4Å; F302-E312 HydrophobicContact CD1-CB 3.9Å; F302-E312 HydrophobicContact CD1-CG 3.7Å; F302-E312 HydrophobicContact CD2-CB 3.78Å; F302-E312 HydrophobicContact CE1-CB 3.75Å; F302-E312 HydrophobicContact CE1-CG 3.5Å; F302-E312 VanDerWaalsContact CE1-CG 3.5Å; F302-E312 HydrophobicContact CE2-CB 3.59Å; F302-E312 HydrophobicContact CE2-CG 4.31Å; F302-E312 VanDerWaalsContact CE2-O 3.29Å; F302-E312 WeakPolarHBondContact CE2-O 3.49Å; F302-E312 HydrophobicContact CG-CB 3.9Å; F302-E312 HydrophobicContact CG-CG 4.2Å; F302-E312 HydrophobicContact CZ-CB 3.56Å; F302-E312 HydrophobicContact CZ-CG 3.79Å; F302-M315 HydrophobicContact CE1-CE 4.41Å; F302-M315 HydrophobicContact CZ-CB 4.3Å; F302-M315 HydrophobicContact CZ-CE 3.89Å; F302-L316 HydrophobicContact CD2-CD1 4.11Å; F302-L316 HydrophobicContact CD2-CG 4.39Å; F302-L316 HydrophobicContact CE2-CD1 4.22Å; F302-L316 HydrophobicContact CE2-CG 4.05Å
303F88.7Confident91.3Very high4 Ų437.8 Ų37.82%0.01819%0.186CC..THydrogen-bonded Turntrans-84.1-1176.5-82.4-128.7000112.9I252 L299 I300 I301 N306 I308 W650 V664 L669 F670 I673I252-F303 HydrophobicContact CD1-CZ 4.33Å; I252-F303 HydrophobicContact CG2-CE1 4.31Å; I252-F303 HydrophobicContact CG2-CZ 4.12Å; L299-F303 HydrophobicContact CD1-CD2 4.02Å; L299-F303 HydrophobicContact CD1-CE2 3.5Å; L299-F303 VanDerWaalsContact CD1-CE2 3.5Å; L299-F303 HydrophobicContact CD1-CZ 4.3Å; L299-F303 HydrophobicContact CG-CD2 4.12Å; L299-F303 HydrophobicContact CG-CE2 3.95Å; L299-F303 VanDerWaalsContact O-CD2 3.27Å; L299-F303 WeakPolarHBondContact O-CD2 3.48Å; L299-F303 PolarHBondContact O-N 3.44Å; I300-F303 PolarHBondContact O-N 3.29Å; I301-F303 VanDerWaalsContact C-N 3.31Å; I301-F303 PolarHBondContact O-N 2.97Å; F303-N306 PolarHBondContact O-N 2.88Å; F303-N306 PolarHBondContact O-OD1 3.43Å; F303-I308 HydrophobicContact CD2-CD1 3.76Å; F303-I308 HydrophobicContact CE2-CD1 3.72Å; F303-I308 HydrophobicContact CE2-CG1 4.45Å; F303-W650 AromaticContact CE2-CH2 3.62Å; F303-W650 HydrophobicContact CE2-CH2 3.62Å; F303-W650 HydrophobicContact CE2-CZ2 4.28Å; F303-W650 HydrophobicContact CE2-CZ3 4.41Å; F303-W650 AromaticContact CZ-CH2 3.77Å; F303-W650 HydrophobicContact CZ-CH2 3.77Å; F303-W650 HydrophobicContact CZ-CZ2 4.02Å; F303-V664 HydrophobicContact CD1-CG1 4.28Å; F303-V664 HydrophobicContact CE1-CG1 3.73Å; F303-V664 HydrophobicContact CZ-CG1 4.25Å; F303-L669 HydrophobicContact CE1-CD2 4.05Å; F303-L669 HydrophobicContact CE1-CG 4.22Å; F303-F670 HydrophobicContact CB-CD2 3.84Å; F303-F670 HydrophobicContact CB-CE2 4.44Å; F303-I673 HydrophobicContact CD1-CD1 3.52Å; F303-I673 HydrophobicContact CE1-CD1 3.39Å; F303-I673 HydrophobicContact CE2-CD1 4.47Å; F303-I673 HydrophobicContact CG-CD1 4.13Å; F303-I673 HydrophobicContact CZ-CD1 3.91Å
304L85.2Confident91.3Very high80 Ų8039.4 Ų39.442%0.41919%0.194SC..SBendtrans-70.3-35-177.4-67.1176.8000114.3I300 I301 F302 F670 I727I300-L304 WeakPolarHBondContact O-CG 3.41Å; I301-L304 WeakPolarHBondContact O-CB 3.22Å; I301-L304 WeakPolarHBondContact O-CG 3.41Å; I301-L304 PolarHBondContact O-N 2.82Å; F302-L304 VanDerWaalsContact C-N 3.28Å; F302-L304 PolarHBondContact O-N 2.92Å; L304-F670 HydrophobicContact CD2-CE2 3.89Å; L304-F670 HydrophobicContact CD2-CZ 3.93Å; L304-I727 HydrophobicContact CD2-CD1 4.17Å; L304-I727 HydrophobicContact CD2-CG1 4.25Å; L304-I727 HydrophobicContact CD2-CG2 4.29Å; L304-I727 VanDerWaalsContact O-CG2 3.31Å; L304-I727 WeakPolarHBondContact O-CG2 3.19Å
305D85.4Confident91.4Very high58 Ų5837.1 Ų37.131%0.3118%0.181SC..SBendtrans-99.57.3175.866-16.6000113.3R35 V307R35-D305 IonicContact CZ-OD2 3.12Å; R35-D305 IonicContact NH1-OD2 2.66Å; R35-D305 PolarHBondContact NH1-OD2 3.21Å; R35-D305 IonicContact NH2-OD2 2.78Å; R35-D305 PolarHBondContact NH2-OD2 2.68Å; D305-V307 WeakPolarHBondContact O-CG2 3.36Å; D305-V307 PolarHBondContact O-N 2.93Å; D305-V307 VanDerWaalsContact O-N 3.11Å
306N85.1Confident91.4Very high52 Ų5237.1 Ų37.128%0.27818%0.181SC..SBendtrans59.815.3174.9-46.3-59.5000114.8F303 V664 S666F303-N306 PolarHBondContact O-N 2.88Å; F303-N306 PolarHBondContact O-OD1 3.43Å; N306-V664 PolarHBondContact O-N 3.21Å; N306-S666 VanDerWaalsContact CG-CB 3.5Å; N306-S666 WeakPolarHBondContact OD1-CB 3.43Å
307V88.3Confident91.4Very high48 Ų4838.4 Ų38.429%0.29119%0.189SC..EExtended strand (participates in β ladder)trans-141.193.6-169.4176.80000109.5D305 M309 P661 V662D305-V307 WeakPolarHBondContact O-CG2 3.36Å; D305-V307 PolarHBondContact O-N 2.93Å; D305-V307 VanDerWaalsContact O-N 3.11Å; V307-M309 PolarHBondContact O-N 3.16Å; V307-P661 HydrophobicContact CG1-CB 3.55Å; V307-P661 HydrophobicContact CG1-CG 3.82Å; V307-V662 CarbonylContact C-O 3.5Å; V307-V662 WeakPolarHBondContact CA-O 3.38Å
308I91.3Very high91.5Very high1 Ų137.2 Ų37.21%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-73.2121.8-176.6-50.4-61.1000110.5F302 F303 E312 S313 W650 P661 V662 V664F302-I308 HydrophobicContact CB-CD1 4.01Å; F302-I308 WeakPolarHBondContact O-CD1 3.39Å; F303-I308 HydrophobicContact CD2-CD1 3.76Å; F303-I308 HydrophobicContact CE2-CD1 3.72Å; F303-I308 HydrophobicContact CE2-CG1 4.45Å; I308-E312 HydrophobicContact CG2-CB 4.37Å; I308-S313 WeakPolarHBondContact CG2-OG 3.49Å; I308-W650 HydrophobicContact CB-CE3 4.45Å; I308-W650 HydrophobicContact CG1-CD2 4.5Å; I308-W650 HydrophobicContact CG1-CE3 4.36Å; I308-W650 HydrophobicContact CG1-CH2 4.43Å; I308-W650 HydrophobicContact CG1-CZ3 4.33Å; I308-W650 HydrophobicContact CG2-CD2 4.24Å; I308-W650 HydrophobicContact CG2-CE3 3.72Å; I308-W650 HydrophobicContact CG2-CZ3 4.17Å; I308-P661 WeakPolarHBondContact O-CA 3.49Å; I308-P661 WeakPolarHBondContact O-CB 3.24Å; I308-V662 PolarHBondContact N-O 3.35Å; I308-V662 PolarHBondContact O-N 3.05Å; I308-V664 HydrophobicContact CG1-CG2 3.88Å
309M92.8Very high91.5Very high55 Ų5537.6 Ų37.627%0.27119%0.194SC..  trans-87.8149.9176.6-58.8-67.3-62.800111.4V307 W311 E312 S313 P661V307-M309 PolarHBondContact O-N 3.16Å; M309-W311 VanDerWaalsContact CB-CD1 3.49Å; M309-W311 HydrophobicContact CB-CG 4.34Å; M309-W311 PolarHBondContact O-N 3.18Å; M309-E312 HydrophobicContact CB-CG 4.06Å; M309-E312 WeakPolarHBondContact CB-OE2 3.28Å; M309-E312 PolarHBondContact N-OE2 3.46Å; M309-E312 WeakPolarHBondContact O-CB 3.25Å; M309-E312 PolarHBondContact O-N 3.44Å; M309-S313 PolarHBondContact O-N 2.76Å; M309-P661 HydrophobicContact SD-CB 3.77Å; M309-P661 HydrophobicContact SD-CG 4.47Å
310W93.9Very high91.5Very high98 Ų9838.6 Ų38.637%0.37120%0.198SC..Hα-helixtrans-54.2-31.6178.270.5-95.6000113.8M314 L659W310-M314 HydrophobicContact CE3-CG 4.03Å; W310-M314 HydrophobicContact CZ3-CG 4.27Å; W310-M314 WeakPolarHBondContact O-CB 3.26Å; W310-M314 WeakPolarHBondContact O-CG 3.22Å; W310-M314 PolarHBondContact O-N 2.8Å; W310-L659 HydrophobicContact CB-CD2 4.28Å; W310-L659 HydrophobicContact CD2-CD2 4.29Å; W310-L659 HydrophobicContact CG-CD2 3.97Å
311W93.6Very high91.5Very high73 Ų7340.2 Ų40.228%0.27721%0.212SC..Hα-helixtrans-76-25.1-179.871.7-94.5000112.6T31 F302 M309 M315T31-W311 HydrophobicContact CG2-CH2 3.71Å; T31-W311 HydrophobicContact CG2-CZ2 3.91Å; F302-W311 HydrophobicContact CE1-CH2 4.13Å; F302-W311 HydrophobicContact CE1-CZ3 4.14Å; F302-W311 HydrophobicContact CZ-CZ3 4.4Å; M309-W311 VanDerWaalsContact CB-CD1 3.49Å; M309-W311 HydrophobicContact CB-CG 4.34Å; M309-W311 PolarHBondContact O-N 3.18Å; W311-M315 WeakPolarHBondContact O-CB 3.35Å; W311-M315 PolarHBondContact O-N 3.27Å
312E93.7Very high91.6Very high5 Ų541.2 Ų41.22%0.02322%0.217CC..Hα-helixtrans-75.3-46.5177.8-64.8168.7162.400108.9R35 F302 I308 M309 M314 M315 L316R35-E312 IonicContact NH2-OE1 3.26Å; R35-E312 PolarHBondContact NH2-OE1 3.33Å; F302-E312 HydrophobicContact CD1-CB 3.9Å; F302-E312 HydrophobicContact CD1-CG 3.7Å; F302-E312 HydrophobicContact CD2-CB 3.78Å; F302-E312 HydrophobicContact CE1-CB 3.75Å; F302-E312 HydrophobicContact CE1-CG 3.5Å; F302-E312 VanDerWaalsContact CE1-CG 3.5Å; F302-E312 HydrophobicContact CE2-CB 3.59Å; F302-E312 HydrophobicContact CE2-CG 4.31Å; F302-E312 VanDerWaalsContact CE2-O 3.29Å; F302-E312 WeakPolarHBondContact CE2-O 3.49Å; F302-E312 HydrophobicContact CG-CB 3.9Å; F302-E312 HydrophobicContact CG-CG 4.2Å; F302-E312 HydrophobicContact CZ-CB 3.56Å; F302-E312 HydrophobicContact CZ-CG 3.79Å; I308-E312 HydrophobicContact CG2-CB 4.37Å; M309-E312 HydrophobicContact CB-CG 4.06Å; M309-E312 WeakPolarHBondContact CB-OE2 3.28Å; M309-E312 PolarHBondContact N-OE2 3.46Å; M309-E312 WeakPolarHBondContact O-CB 3.25Å; M309-E312 PolarHBondContact O-N 3.44Å; E312-M314 PolarHBondContact O-N 2.97Å; E312-M315 PolarHBondContact O-N 3.05Å; E312-L316 PolarHBondContact O-N 3.1Å; E312-L316 VanDerWaalsContact O-N 3.09Å
313S94.3Very high91.6Very high0 Ų041 Ų410%022%0.216CC..Hα-helixtrans-57-45.3168.8-55.30000112.6I308 M309 M315 L316 V317 P647 W650I308-S313 WeakPolarHBondContact CG2-OG 3.49Å; M309-S313 PolarHBondContact O-N 2.76Å; S313-M315 PolarHBondContact O-N 3.4Å; S313-L316 PolarHBondContact O-N 3.01Å; S313-V317 PolarHBondContact O-N 2.87Å; S313-P647 WeakPolarHBondContact O-CB 3.38Å; S313-W650 WeakPolarHBondContact OG-CB 3.22Å
314M94.2Very high91.5Very high77 Ų7742.6 Ų42.638%0.37923%0.227SC..Hα-helixtrans-59.9-31.2173.1-81.9-61.3-49.300113.1W310 E312 A318 L651W310-M314 HydrophobicContact CE3-CG 4.03Å; W310-M314 HydrophobicContact CZ3-CG 4.27Å; W310-M314 WeakPolarHBondContact O-CB 3.26Å; W310-M314 WeakPolarHBondContact O-CG 3.22Å; W310-M314 PolarHBondContact O-N 2.8Å; E312-M314 PolarHBondContact O-N 2.97Å; M314-A318 WeakPolarHBondContact O-CB 3.3Å; M314-A318 PolarHBondContact O-N 3.22Å; M314-L651 HydrophobicContact CG-CD1 3.73Å; M314-L651 HydrophobicContact CG-CD2 4.35Å; M314-L651 HydrophobicContact SD-CD1 3.85Å; M314-L651 HydrophobicContact SD-CD2 3.52Å; M314-L651 VanDerWaalsContact SD-CD2 3.52Å; M314-L651 HydrophobicContact SD-CG 4.34Å
315M94.9Very high91.6Very high44 Ų4442.6 Ų42.622%0.21723%0.229CC..Hα-helixtrans-77.2-36.2-179.2-156.7160.388.400112.2L24 L298 F302 W311 E312 S313 A318 C319L24-M315 HydrophobicContact CD2-SD 4.28Å; L298-M315 HydrophobicContact CD1-CE 3.54Å; L298-M315 HydrophobicContact CD2-CE 3.96Å; L298-M315 HydrophobicContact CG-CE 4.38Å; F302-M315 HydrophobicContact CE1-CE 4.41Å; F302-M315 HydrophobicContact CZ-CB 4.3Å; F302-M315 HydrophobicContact CZ-CE 3.89Å; W311-M315 WeakPolarHBondContact O-CB 3.35Å; W311-M315 PolarHBondContact O-N 3.27Å; E312-M315 PolarHBondContact O-N 3.05Å; S313-M315 PolarHBondContact O-N 3.4Å; M315-A318 CarbonylContact O-C 3.49Å; M315-A318 WeakPolarHBondContact O-CB 3.5Å; M315-A318 PolarHBondContact O-N 2.91Å; M315-C319 PolarHBondContact O-N 3.35Å; M315-C319 PolarHBondContact O-SG 3.07Å
316L94.4Very high91.7Very high1 Ų142.6 Ų42.61%0.00523%0.227CC..Hα-helixtrans-61.7-46.4170.1-77.4162.9000111.8L298 L299 F302 E312 S313 A318 C319 Y320 T643 P647 W650L298-L316 HydrophobicContact CD2-CD2 4.15Å; L298-L316 HydrophobicContact CD2-CG 4.42Å; L299-L316 HydrophobicContact CD1-CD1 4.12Å; F302-L316 HydrophobicContact CD2-CD1 4.11Å; F302-L316 HydrophobicContact CD2-CG 4.39Å; F302-L316 HydrophobicContact CE2-CD1 4.22Å; F302-L316 HydrophobicContact CE2-CG 4.05Å; E312-L316 PolarHBondContact O-N 3.1Å; E312-L316 VanDerWaalsContact O-N 3.09Å; S313-L316 PolarHBondContact O-N 3.01Å; L316-A318 PolarHBondContact O-N 2.97Å; L316-C319 WeakPolarHBondContact O-CA 3.48Å; L316-C319 WeakPolarHBondContact O-CB 3.48Å; L316-C319 PolarHBondContact O-N 3.26Å; L316-Y320 PolarHBondContact O-N 3.42Å; L316-T643 CarbonylContact C-O 3.6Å; L316-T643 HydrophobicContact CD2-CG2 4.46Å; L316-P647 HydrophobicContact CB-CB 4.04Å; L316-P647 HydrophobicContact CB-CG 3.81Å; L316-P647 HydrophobicContact CD1-CB 4.29Å; L316-P647 HydrophobicContact CD1-CG 4.43Å; L316-W650 HydrophobicContact CD1-CZ3 4.31Å
317V94.8Very high91.6Very high27 Ų2740.2 Ų40.216%0.16421%0.214CC..Hα-helixtrans-63.1-31.6174.91750000111.8S313 S321 T643 M644 P647 I648S313-V317 PolarHBondContact O-N 2.87Å; V317-S321 WeakPolarHBondContact O-CB 3.39Å; V317-S321 PolarHBondContact O-N 3.49Å; V317-S321 PolarHBondContact O-OG 3.11Å; V317-T643 WeakPolarHBondContact CA-O 3.36Å; V317-T643 PolarHBondContact N-O 3.01Å; V317-M644 HydrophobicContact CG1-SD 4.03Å; V317-M644 HydrophobicContact CG2-SD 4.26Å; V317-P647 HydrophobicContact CG2-CB 3.99Å; V317-P647 HydrophobicContact CG2-CG 3.73Å; V317-I648 HydrophobicContact CG2-CG1 4.39Å
318A94.1Very high91.2Very high52 Ų5245.5 Ų45.543%0.4323%0.233SC..Hα-helixtrans-71.1-33.6172.100000112.8M314 M315 L316 S321 L322M314-A318 WeakPolarHBondContact O-CB 3.3Å; M314-A318 PolarHBondContact O-N 3.22Å; M315-A318 CarbonylContact O-C 3.49Å; M315-A318 WeakPolarHBondContact O-CB 3.5Å; M315-A318 PolarHBondContact O-N 2.91Å; L316-A318 PolarHBondContact O-N 2.97Å; A318-S321 WeakPolarHBondContact O-CB 3.19Å; A318-S321 PolarHBondContact O-N 3.19Å; A318-L322 WeakPolarHBondContact O-CB 3.33Å; A318-L322 PolarHBondContact O-N 2.86Å
319C93.8Very high90.9Very high21 Ų2150.1 Ų50.114%0.14225%0.254CS..Hα-helixtrans-63.8-45.6170.2-71.20000111.6D295 M315 L316 S321 L322 Y323D295-C319 WeakPolarHBondContact OD1-CB 3.17Å; M315-C319 PolarHBondContact O-N 3.35Å; M315-C319 PolarHBondContact O-SG 3.07Å; L316-C319 WeakPolarHBondContact O-CA 3.48Å; L316-C319 WeakPolarHBondContact O-CB 3.48Å; L316-C319 PolarHBondContact O-N 3.26Å; C319-S321 VanDerWaalsContact C-N 3.31Å; C319-S321 PolarHBondContact O-N 3.06Å; C319-L322 CarbonylContact O-C 3.58Å; C319-L322 WeakPolarHBondContact O-CB 3.46Å; C319-L322 PolarHBondContact O-N 3.18Å; C319-L322 VanDerWaalsContact O-N 3.09Å; C319-Y323 PolarHBondContact O-N 3.13Å
320Y92.6Very high90.3Very high22 Ų2248 Ų489%0.08624%0.243CC..Hα-helixtrans-57.8-45.9172.8-168.3-117000111.7T225 L316 L322 Y323 V324 I639 F640 T643 M644T225-Y320 PolarHBondContact O-OH 3.2Å; L316-Y320 PolarHBondContact O-N 3.42Å; Y320-L322 VanDerWaalsContact C-N 3.26Å; Y320-L322 PolarHBondContact O-N 2.91Å; Y320-Y323 HydrophobicContact CD2-CD1 4.2Å; Y320-Y323 HydrophobicContact CE2-CD1 4.02Å; Y320-Y323 HydrophobicContact CE2-CE1 4.46Å; Y320-Y323 WeakPolarHBondContact O-CB 3.31Å; Y320-Y323 PolarHBondContact O-N 3.44Å; Y320-Y323 VanDerWaalsContact O-N 3.12Å; Y320-V324 HydrophobicContact CD1-CG2 4Å; Y320-V324 HydrophobicContact CD2-CG2 4.46Å; Y320-V324 HydrophobicContact CE1-CG2 3.62Å; Y320-V324 HydrophobicContact CE2-CG2 4.1Å; Y320-V324 HydrophobicContact CG-CG2 4.41Å; Y320-V324 WeakPolarHBondContact O-CG2 3.42Å; Y320-V324 PolarHBondContact O-N 2.97Å; Y320-I639 HydrophobicContact CD2-CG2 4.26Å; Y320-I639 HydrophobicContact CE2-CG2 4.48Å; Y320-F640 HydrophobicContact CE1-CD2 4.08Å; Y320-F640 HydrophobicContact CE2-CB 4.27Å; Y320-F640 HydrophobicContact CE2-CD2 4.23Å; Y320-F640 AromaticContact CZ-CD2 3.8Å; Y320-T643 WeakPolarHBondContact CB-OG1 3.44Å; Y320-T643 VanDerWaalsContact CD2-OG1 3.26Å; Y320-T643 WeakPolarHBondContact CD2-OG1 3.44Å; Y320-M644 HydrophobicContact CD1-CE 3.9Å; Y320-M644 HydrophobicContact CD1-CG 3.45Å; Y320-M644 VanDerWaalsContact CD1-CG 3.45Å; Y320-M644 HydrophobicContact CD1-SD 3.55Å; Y320-M644 VanDerWaalsContact CD1-SD 3.55Å; Y320-M644 HydrophobicContact CD2-CG 4.24Å; Y320-M644 HydrophobicContact CE1-CE 4.16Å; Y320-M644 HydrophobicContact CE1-CG 3.99Å; Y320-M644 HydrophobicContact CE1-SD 4.34Å; Y320-M644 HydrophobicContact CG-CG 3.59Å; Y320-M644 HydrophobicContact CG-SD 4.03Å
321S90.8Very high89.5Confident63 Ų6345.8 Ų45.844%0.44124%0.241SC..Hα-helixtrans-59-37.6177-60.40000112.1V317 A318 C319 V325V317-S321 WeakPolarHBondContact O-CB 3.39Å; V317-S321 PolarHBondContact O-N 3.49Å; V317-S321 PolarHBondContact O-OG 3.11Å; A318-S321 WeakPolarHBondContact O-CB 3.19Å; A318-S321 PolarHBondContact O-N 3.19Å; C319-S321 VanDerWaalsContact C-N 3.31Å; C319-S321 PolarHBondContact O-N 3.06Å; S321-V325 WeakPolarHBondContact O-CB 3.11Å; S321-V325 WeakPolarHBondContact O-CG2 3.36Å; S321-V325 PolarHBondContact O-N 3.31Å; S321-V325 VanDerWaalsContact O-N 3.1Å
322L91.3Very high89Confident79 Ų7948.6 Ų48.641%0.41426%0.257SS..Hα-helixtrans-70.2-40.5174.7179.860.8000112.2F17 A318 C319 Y320 V325 F326F17-L322 HydrophobicContact CE2-CD1 4.49Å; A318-L322 WeakPolarHBondContact O-CB 3.33Å; A318-L322 PolarHBondContact O-N 2.86Å; C319-L322 CarbonylContact O-C 3.58Å; C319-L322 WeakPolarHBondContact O-CB 3.46Å; C319-L322 PolarHBondContact O-N 3.18Å; C319-L322 VanDerWaalsContact O-N 3.09Å; Y320-L322 VanDerWaalsContact C-N 3.26Å; Y320-L322 PolarHBondContact O-N 2.91Å; L322-V325 PolarHBondContact O-N 3.43Å; L322-F326 WeakPolarHBondContact O-CB 3.49Å; L322-F326 PolarHBondContact O-N 3.16Å
323Y90.3Very high88.4Confident0 Ų051.4 Ų51.40%027%0.271CS..Hα-helixtrans-61.1-50.3174.5170-109.8000111.6A224 T225 D288 F291 C319 Y320 V325 F326 M327 I639A224-Y323 PolarHBondContact O-OH 2.83Å; T225-Y323 HydrophobicContact CG2-CE1 4.02Å; D288-Y323 WeakPolarHBondContact OD1-CE2 3.19Å; D288-Y323 PolarHBondContact OD1-OH 2.87Å; F291-Y323 HydrophobicContact CB-CD2 4.14Å; F291-Y323 HydrophobicContact CD1-CD2 4.21Å; F291-Y323 AromaticContact CD2-CD2 3.63Å; F291-Y323 HydrophobicContact CD2-CD2 3.63Å; F291-Y323 HydrophobicContact CD2-CE2 4.15Å; F291-Y323 HydrophobicContact CE2-CD2 4.06Å; F291-Y323 AromaticContact CG-CD2 3.73Å; F291-Y323 HydrophobicContact CG-CD2 3.73Å; C319-Y323 PolarHBondContact O-N 3.13Å; Y320-Y323 HydrophobicContact CD2-CD1 4.2Å; Y320-Y323 HydrophobicContact CE2-CD1 4.02Å; Y320-Y323 HydrophobicContact CE2-CE1 4.46Å; Y320-Y323 WeakPolarHBondContact O-CB 3.31Å; Y320-Y323 PolarHBondContact O-N 3.44Å; Y320-Y323 VanDerWaalsContact O-N 3.12Å; Y323-V325 VanDerWaalsContact C-N 3.3Å; Y323-V325 PolarHBondContact O-N 3.07Å; Y323-F326 WeakPolarHBondContact O-CB 3.46Å; Y323-F326 PolarHBondContact O-N 3.24Å; Y323-F326 VanDerWaalsContact O-N 3.09Å; Y323-M327 HydrophobicContact CD2-CG 4.14Å; Y323-M327 HydrophobicContact CE1-CG 4.23Å; Y323-M327 HydrophobicContact CE2-CG 3.69Å; Y323-M327 HydrophobicContact CE2-SD 4.23Å; Y323-M327 WeakPolarHBondContact O-CB 3.19Å; Y323-M327 WeakPolarHBondContact O-CG 3.32Å; Y323-M327 PolarHBondContact O-N 3Å; Y323-I639 HydrophobicContact CD1-CG2 4.1Å; Y323-I639 HydrophobicContact CE1-CG2 4.29Å; Y323-I639 HydrophobicContact CE2-CD1 4.35Å; Y323-I639 HydrophobicContact CG-CG2 4.49Å
324V87.2Confident87.8Confident39 Ų3953.8 Ų53.824%0.23628%0.282CS..Hα-helixtrans-60.2-39.6176.4177.80000111.4T225 Y320 M327 K328T225-V324 HydrophobicContact CG2-CG2 3.92Å; Y320-V324 HydrophobicContact CD1-CG2 4Å; Y320-V324 HydrophobicContact CD2-CG2 4.46Å; Y320-V324 HydrophobicContact CE1-CG2 3.62Å; Y320-V324 HydrophobicContact CE2-CG2 4.1Å; Y320-V324 HydrophobicContact CG-CG2 4.41Å; Y320-V324 WeakPolarHBondContact O-CG2 3.42Å; Y320-V324 PolarHBondContact O-N 2.97Å; V324-M327 PolarHBondContact O-N 3.28Å; V324-K328 PolarHBondContact O-N 3.07Å; V324-K328 VanDerWaalsContact O-N 3.11Å
325V87Confident87.2Confident79 Ų7957.3 Ų57.348%0.47929%0.292SS..Hα-helixtrans-68.3-36.7174.9167.70000112.2S321 L322 Y323 K328 F329S321-V325 WeakPolarHBondContact O-CB 3.11Å; S321-V325 WeakPolarHBondContact O-CG2 3.36Å; S321-V325 PolarHBondContact O-N 3.31Å; S321-V325 VanDerWaalsContact O-N 3.1Å; L322-V325 PolarHBondContact O-N 3.43Å; Y323-V325 VanDerWaalsContact C-N 3.3Å; Y323-V325 PolarHBondContact O-N 3.07Å; V325-K328 WeakPolarHBondContact O-CB 3.35Å; V325-F329 HydrophobicContact CG1-CE2 4.34Å; V325-F329 WeakPolarHBondContact O-CD2 3.41Å
326F87.3Confident86.7Confident59 Ų5959.9 Ų59.926%0.25930%0.303SS..Hα-helixtrans-64.2-45.7172.9-178.6-78.9000110.8R287 F291 L322 Y323 K328 F329 N330 L333R287-F326 HydrophobicContact CG-CD1 4.46Å; R287-F326 HydrophobicContact CG-CE1 3.78Å; F291-F326 HydrophobicContact CE2-CB 4.46Å; F291-F326 AromaticContact CE2-CD1 3.84Å; F291-F326 HydrophobicContact CE2-CD1 3.84Å; F291-F326 HydrophobicContact CE2-CD2 4.18Å; F291-F326 HydrophobicContact CE2-CE1 4.05Å; F291-F326 HydrophobicContact CE2-CE2 4.33Å; F291-F326 AromaticContact CE2-CG 3.92Å; F291-F326 HydrophobicContact CE2-CG 3.92Å; F291-F326 HydrophobicContact CE2-CZ 4.28Å; F291-F326 HydrophobicContact CZ-CB 3.92Å; F291-F326 HydrophobicContact CZ-CD1 4.08Å; F291-F326 AromaticContact CZ-CD2 3.73Å; F291-F326 HydrophobicContact CZ-CD2 3.73Å; F291-F326 HydrophobicContact CZ-CE2 4.18Å; F291-F326 AromaticContact CZ-CG 3.66Å; F291-F326 HydrophobicContact CZ-CG 3.66Å; L322-F326 WeakPolarHBondContact O-CB 3.49Å; L322-F326 PolarHBondContact O-N 3.16Å; Y323-F326 WeakPolarHBondContact O-CB 3.46Å; Y323-F326 PolarHBondContact O-N 3.24Å; Y323-F326 VanDerWaalsContact O-N 3.09Å; F326-K328 VanDerWaalsContact C-N 3.3Å; F326-K328 PolarHBondContact O-N 3.37Å; F326-F329 CarbonylContact O-C 3.56Å; F326-F329 WeakPolarHBondContact O-CA 3.19Å; F326-F329 PolarHBondContact O-N 3.39Å; F326-N330 PolarHBondContact O-N 3.1Å; F326-L333 HydrophobicContact CD1-CD1 4.09Å; F326-L333 HydrophobicContact CD2-CD1 3.85Å; F326-L333 HydrophobicContact CE1-CD1 3.88Å; F326-L333 HydrophobicContact CE2-CD1 3.67Å; F326-L333 HydrophobicContact CG-CD1 4.07Å; F326-L333 HydrophobicContact CZ-CD1 3.68Å
327M82.3Confident86.1Confident2 Ų263.2 Ų63.21%0.0132%0.318CS..Hα-helixtrans-59.1-38.6179.4-78.9-64.8-85.600112.6V221 A224 R287 Y323 V324 F329 N330V221-M327 HydrophobicContact CG1-CB 4.12Å; V221-M327 HydrophobicContact CG2-CB 4.24Å; V221-M327 WeakPolarHBondContact CG2-O 3.39Å; A224-M327 HydrophobicContact CB-CE 3.55Å; R287-M327 PolarHBondContact NE-SD 2.98Å; R287-M327 VanDerWaalsContact NE-SD 3.37Å; Y323-M327 HydrophobicContact CD2-CG 4.14Å; Y323-M327 HydrophobicContact CE1-CG 4.23Å; Y323-M327 HydrophobicContact CE2-CG 3.69Å; Y323-M327 HydrophobicContact CE2-SD 4.23Å; Y323-M327 WeakPolarHBondContact O-CB 3.19Å; Y323-M327 WeakPolarHBondContact O-CG 3.32Å; Y323-M327 PolarHBondContact O-N 3Å; V324-M327 PolarHBondContact O-N 3.28Å; M327-F329 PolarHBondContact O-N 2.64Å; M327-N330 WeakPolarHBondContact O-CB 3.31Å; M327-N330 PolarHBondContact O-N 3.46Å; M327-N330 HydrophobicContact SD-CB 4.32Å
328K81.1Confident85.5Confident159 Ų15966.7 Ų66.769%0.69133%0.331SS*.THydrogen-bonded Turntrans-55.9-19.8170.9-170.8167.7-172.6159.20114.6V324 V325 F326V324-K328 PolarHBondContact O-N 3.07Å; V324-K328 VanDerWaalsContact O-N 3.11Å; V325-K328 WeakPolarHBondContact O-CB 3.35Å; F326-K328 VanDerWaalsContact C-N 3.3Å; F326-K328 PolarHBondContact O-N 3.37Å
329F83.7Confident85Confident98 Ų9868.5 Ų68.543%0.4334%0.336SS..THydrogen-bonded Turntrans-112.24.6175.2-59.5-69.3000114V325 F326 M327 V331 Q332 L333V325-F329 HydrophobicContact CG1-CE2 4.34Å; V325-F329 WeakPolarHBondContact O-CD2 3.41Å; F326-F329 CarbonylContact O-C 3.56Å; F326-F329 WeakPolarHBondContact O-CA 3.19Å; F326-F329 PolarHBondContact O-N 3.39Å; M327-F329 PolarHBondContact O-N 2.64Å; F329-V331 PolarHBondContact O-N 2.93Å; F329-Q332 WeakPolarHBondContact O-CA 3.2Å; F329-Q332 WeakPolarHBondContact O-CB 3.5Å; F329-Q332 PolarHBondContact O-N 3.09Å; F329-L333 HydrophobicContact CB-CD1 3.97Å; F329-L333 HydrophobicContact CB-CG 4.26Å; F329-L333 WeakPolarHBondContact O-CG 3.17Å; F329-L333 PolarHBondContact O-N 2.85Å
330N82.1Confident84.4Confident9 Ų971.8 Ų71.85%0.04835%0.35CS..Hα-helixtrans-45.1-53.6-175.9173.457.4000113W283 R287 F326 M327 Q332 L333 E334W283-N330 PolarHBondContact NE1-OD1 3.09Å; R287-N330 VanDerWaalsContact NH1-CG 3.26Å; R287-N330 PolarHBondContact NH1-ND2 2.82Å; R287-N330 PolarHBondContact NH1-OD1 3.37Å; F326-N330 PolarHBondContact O-N 3.1Å; M327-N330 WeakPolarHBondContact O-CB 3.31Å; M327-N330 PolarHBondContact O-N 3.46Å; M327-N330 HydrophobicContact SD-CB 4.32Å; N330-Q332 PolarHBondContact O-N 2.68Å; N330-Q332 VanDerWaalsContact O-N 3.09Å; N330-L333 PolarHBondContact O-N 3.29Å; N330-L333 VanDerWaalsContact O-N 3.07Å; N330-E334 WeakPolarHBondContact O-CB 3.35Å; N330-E334 PolarHBondContact O-N 3.09Å
331V76.8Confident83.8Confident53 Ų5374.4 Ų74.432%0.32137%0.365SS..Hα-helixtrans-61.4-22.3-178.2-179.80000113.5F329 R335F329-V331 PolarHBondContact O-N 2.93Å; V331-R335 VanDerWaalsContact O-CD 3.31Å; V331-R335 WeakPolarHBondContact O-CD 3.36Å; V331-R335 VanDerWaalsContact O-CG 3.26Å; V331-R335 WeakPolarHBondContact O-CG 3.39Å; V331-R335 PolarHBondContact O-NE 3.15Å; V331-R335 VanDerWaalsContact O-NE 3.11Å
332Q82.1Confident83.2Confident132 Ų13277.9 Ų77.962%0.61737%0.374SS*.Hα-helixtrans-87.5-41.6175-57-179.428.500111F329 N330 R335 E336F329-Q332 WeakPolarHBondContact O-CA 3.2Å; F329-Q332 WeakPolarHBondContact O-CB 3.5Å; F329-Q332 PolarHBondContact O-N 3.09Å; N330-Q332 PolarHBondContact O-N 2.68Å; N330-Q332 VanDerWaalsContact O-N 3.09Å; Q332-R335 PolarHBondContact O-N 2.87Å; Q332-E336 PolarHBondContact O-N 2.93Å; Q332-E336 VanDerWaalsContact O-N 3.12Å
333L81.6Confident82.7Confident63 Ų6379.9 Ų79.933%0.3338%0.379SS..Hα-helixtrans-66.4-41.8179.4-66.1167.4000111.7F326 F329 N330 R335 E336 F337F326-L333 HydrophobicContact CD1-CD1 4.09Å; F326-L333 HydrophobicContact CD2-CD1 3.85Å; F326-L333 HydrophobicContact CE1-CD1 3.88Å; F326-L333 HydrophobicContact CE2-CD1 3.67Å; F326-L333 HydrophobicContact CG-CD1 4.07Å; F326-L333 HydrophobicContact CZ-CD1 3.68Å; F329-L333 HydrophobicContact CB-CD1 3.97Å; F329-L333 HydrophobicContact CB-CG 4.26Å; F329-L333 WeakPolarHBondContact O-CG 3.17Å; F329-L333 PolarHBondContact O-N 2.85Å; N330-L333 PolarHBondContact O-N 3.29Å; N330-L333 VanDerWaalsContact O-N 3.07Å; L333-R335 PolarHBondContact O-N 3.48Å; L333-E336 PolarHBondContact O-N 2.89Å; L333-F337 VanDerWaalsContact O-CB 3.25Å; L333-F337 WeakPolarHBondContact O-CB 3.25Å; L333-F337 PolarHBondContact O-N 3.28Å
334E80.9Confident81.9Confident50 Ų5085.9 Ų85.923%0.23441%0.407CS..Hα-helixtrans-57.1-45.6174-175-162.6160.300111.9W283 N330 F337 K338W283-E334 HydrophobicContact CD2-CG 4.39Å; W283-E334 HydrophobicContact CG-CG 4.15Å; W283-E334 HydrophobicContact CZ2-CB 4.26Å; N330-E334 WeakPolarHBondContact O-CB 3.35Å; N330-E334 PolarHBondContact O-N 3.09Å; E334-F337 PolarHBondContact O-N 3.5Å; E334-K338 HydrophobicContact CG-CD 3.99Å; E334-K338 HydrophobicContact CG-CG 4.48Å; E334-K338 VanDerWaalsContact O-CB 3.3Å; E334-K338 WeakPolarHBondContact O-CB 3.46Å; E334-K338 WeakPolarHBondContact O-CG 3.5Å; E334-K338 PolarHBondContact O-N 3.03Å; E334-K338 VanDerWaalsContact OE1-CE 3.32Å; E334-K338 WeakPolarHBondContact OE1-CE 3.4Å; E334-K338 IonicContact OE1-NZ 2.68Å; E334-K338 PolarHBondContact OE1-NZ 3.38Å
335R82.3Confident81.3Confident151 Ų15191 Ų9157%0.5743%0.426SS*.Hα-helixtrans-66.6-44-179.8-67.1174.2-159.4-162.53.7111.7V331 Q332 L333 T339V331-R335 VanDerWaalsContact O-CD 3.31Å; V331-R335 WeakPolarHBondContact O-CD 3.36Å; V331-R335 VanDerWaalsContact O-CG 3.26Å; V331-R335 WeakPolarHBondContact O-CG 3.39Å; V331-R335 PolarHBondContact O-NE 3.15Å; V331-R335 VanDerWaalsContact O-NE 3.11Å; Q332-R335 PolarHBondContact O-N 2.87Å; L333-R335 PolarHBondContact O-N 3.48Å; R335-T339 VanDerWaalsContact O-CB 3.31Å; R335-T339 WeakPolarHBondContact O-CB 3.32Å; R335-T339 PolarHBondContact O-N 2.94Å; R335-T339 PolarHBondContact O-OG1 2.79Å
336E83.8Confident80.2Confident98 Ų9890.3 Ų90.346%0.45843%0.425SS..Hα-helixtrans-62.5-48.8175.1-17965.5-153.200110.2Q332 L333 T339 Q340Q332-E336 PolarHBondContact O-N 2.93Å; Q332-E336 VanDerWaalsContact O-N 3.12Å; L333-E336 PolarHBondContact O-N 2.89Å; E336-T339 WeakPolarHBondContact O-CA 3.19Å; E336-T339 WeakPolarHBondContact O-CB 3.43Å; E336-T339 PolarHBondContact O-N 2.99Å; E336-T339 VanDerWaalsContact O-N 3.15Å; E336-Q340 WeakPolarHBondContact O-CG 3.25Å; E336-Q340 PolarHBondContact O-N 3.48Å; E336-Q340 PolarHBondContact OE1-NE2 3.2Å
337F82.9Confident79.2Confident72 Ų7291.1 Ų91.132%0.31643%0.431SS..Hα-helixtrans-63-47.7-179.5-175.5-87.3000112.5W282 W283 L333 E334 T339 Q340 L341W282-F337 HydrophobicContact CH2-CZ 4.47Å; W282-F337 AromaticContact CZ3-CE1 3.95Å; W282-F337 HydrophobicContact CZ3-CE1 3.95Å; W282-F337 HydrophobicContact CZ3-CZ 4.21Å; W283-F337 AromaticContact CE3-CD1 3.71Å; W283-F337 HydrophobicContact CE3-CD1 3.71Å; W283-F337 AromaticContact CE3-CE1 3.99Å; W283-F337 HydrophobicContact CE3-CE1 3.99Å; W283-F337 HydrophobicContact CE3-CG 4.22Å; W283-F337 HydrophobicContact CH2-CB 3.65Å; W283-F337 AromaticContact CH2-CD1 3.98Å; W283-F337 HydrophobicContact CH2-CD1 3.98Å; W283-F337 HydrophobicContact CH2-CD2 4.03Å; W283-F337 AromaticContact CH2-CG 3.61Å; W283-F337 HydrophobicContact CH2-CG 3.61Å; W283-F337 HydrophobicContact CZ2-CB 4.42Å; W283-F337 HydrophobicContact CZ3-CB 3.85Å; W283-F337 AromaticContact CZ3-CD1 3.23Å; W283-F337 HydrophobicContact CZ3-CD1 3.23Å; W283-F337 AromaticContact CZ3-CD2 3.77Å; W283-F337 HydrophobicContact CZ3-CD2 3.77Å; W283-F337 AromaticContact CZ3-CE1 3.62Å; W283-F337 HydrophobicContact CZ3-CE1 3.62Å; W283-F337 HydrophobicContact CZ3-CE2 4.1Å; W283-F337 AromaticContact CZ3-CG 3.31Å; W283-F337 HydrophobicContact CZ3-CG 3.31Å; W283-F337 HydrophobicContact CZ3-CZ 4.03Å; L333-F337 VanDerWaalsContact O-CB 3.25Å; L333-F337 WeakPolarHBondContact O-CB 3.25Å; L333-F337 PolarHBondContact O-N 3.28Å; E334-F337 PolarHBondContact O-N 3.5Å; F337-T339 PolarHBondContact O-N 3.22Å; F337-Q340 PolarHBondContact O-N 3.35Å; F337-Q340 VanDerWaalsContact O-N 3.17Å; F337-L341 HydrophobicContact CD1-CD1 4.43Å; F337-L341 HydrophobicContact CE1-CB 4.34Å; F337-L341 HydrophobicContact CE1-CD1 3.51Å; F337-L341 HydrophobicContact CZ-CD1 3.96Å; F337-L341 WeakPolarHBondContact O-CB 3.47Å; F337-L341 PolarHBondContact O-N 2.84Å
338K82.4Confident78Confident100 Ų10094.8 Ų94.844%0.43545%0.453SS..Hα-helixtrans-59.1-37.3174.2-73.9179.9177.9177.60111E334 H342E334-K338 HydrophobicContact CG-CD 3.99Å; E334-K338 HydrophobicContact CG-CG 4.48Å; E334-K338 VanDerWaalsContact O-CB 3.3Å; E334-K338 WeakPolarHBondContact O-CB 3.46Å; E334-K338 WeakPolarHBondContact O-CG 3.5Å; E334-K338 PolarHBondContact O-N 3.03Å; E334-K338 VanDerWaalsContact OE1-CE 3.32Å; E334-K338 WeakPolarHBondContact OE1-CE 3.4Å; E334-K338 IonicContact OE1-NZ 2.68Å; E334-K338 PolarHBondContact OE1-NZ 3.38Å; K338-H342 WeakPolarHBondContact O-CB 3.22Å; K338-H342 PolarHBondContact O-CD2 3.38Å; K338-H342 PolarHBondContact O-N 3.35Å
339T82.8Confident76.9Confident89 Ų8994.7 Ų94.755%0.54645%0.453SS..Hα-helixtrans-65.3-45.8174.4-57.70000112.1R335 E336 F337 H342 K343R335-T339 VanDerWaalsContact O-CB 3.31Å; R335-T339 WeakPolarHBondContact O-CB 3.32Å; R335-T339 PolarHBondContact O-N 2.94Å; R335-T339 PolarHBondContact O-OG1 2.79Å; E336-T339 WeakPolarHBondContact O-CA 3.19Å; E336-T339 WeakPolarHBondContact O-CB 3.43Å; E336-T339 PolarHBondContact O-N 2.99Å; E336-T339 VanDerWaalsContact O-N 3.15Å; F337-T339 PolarHBondContact O-N 3.22Å; T339-H342 PolarHBondContact O-N 3.02Å; T339-K343 WeakPolarHBondContact O-CB 3.36Å; T339-K343 PolarHBondContact O-N 3.42Å
340Q80.9Confident75.6Confident90 Ų9094.3 Ų94.342%0.42146%0.458SS..Hα-helixtrans-65.7-39.8177-64.2-69.7-1.200112E336 F337 K343 H344E336-Q340 WeakPolarHBondContact O-CG 3.25Å; E336-Q340 PolarHBondContact O-N 3.48Å; E336-Q340 PolarHBondContact OE1-NE2 3.2Å; F337-Q340 PolarHBondContact O-N 3.35Å; F337-Q340 VanDerWaalsContact O-N 3.17Å; Q340-K343 WeakPolarHBondContact O-CB 3.47Å; Q340-K343 PolarHBondContact O-N 3.12Å; Q340-H344 PolarHBondContact O-N 3.18Å
341L80.8Confident74.3Confident77 Ų7799.2 Ų99.240%0.40348%0.483SS..Hα-helixtrans-68.8-40.4178.2-165.1154.3000111.2F337 H344 K345F337-L341 HydrophobicContact CD1-CD1 4.43Å; F337-L341 HydrophobicContact CE1-CB 4.34Å; F337-L341 HydrophobicContact CE1-CD1 3.51Å; F337-L341 HydrophobicContact CZ-CD1 3.96Å; F337-L341 WeakPolarHBondContact O-CB 3.47Å; F337-L341 PolarHBondContact O-N 2.84Å; L341-H344 PolarHBondContact O-N 3.2Å; L341-K345 VanDerWaalsContact O-CB 3.27Å; L341-K345 WeakPolarHBondContact O-CB 3.47Å; L341-K345 PolarHBondContact O-N 2.91Å
342H78.4Confident73Confident137 Ų137100.4 Ų100.463%0.63450%0.499SS*.Hα-helixtrans-60.6-43169.7-90.2-72.9000112.2K338 T339 K345 S346K338-H342 WeakPolarHBondContact O-CB 3.22Å; K338-H342 PolarHBondContact O-CD2 3.38Å; K338-H342 PolarHBondContact O-N 3.35Å; T339-H342 PolarHBondContact O-N 3.02Å; H342-K345 PolarHBondContact O-N 3.32Å; H342-S346 PolarHBondContact O-N 3.07Å; H342-S346 PolarHBondContact O-OG 2.86Å
343K79.5Confident71.6Confident121 Ų12199.7 Ų99.753%0.52650%0.503SS..Hα-helixtrans-60.7-47.4175.3-176.6-174.3175.3-167.90111.3T339 Q340 K345 S346 I347T339-K343 WeakPolarHBondContact O-CB 3.36Å; T339-K343 PolarHBondContact O-N 3.42Å; Q340-K343 WeakPolarHBondContact O-CB 3.47Å; Q340-K343 PolarHBondContact O-N 3.12Å; K343-K345 PolarHBondContact O-N 3.49Å; K343-S346 WeakPolarHBondContact CA-OG 3.24Å; K343-S346 PolarHBondContact O-N 3.41Å; K343-S346 PolarHBondContact O-OG 2.61Å; K343-I347 HydrophobicContact CG-CD1 4.13Å; K343-I347 WeakPolarHBondContact O-CG1 3.32Å; K343-I347 PolarHBondContact O-N 2.91Å
344H74.9Confident69.7Low126 Ų126104 Ų10458%0.58352%0.522SS*.Hα-helixtrans-63.5-41.5177.5-152.2-90.1000111.7Q340 L341 S346 I347 V348Q340-H344 PolarHBondContact O-N 3.18Å; L341-H344 PolarHBondContact O-N 3.2Å; H344-S346 VanDerWaalsContact C-N 3.31Å; H344-S346 PolarHBondContact O-N 3.21Å; H344-I347 PolarHBondContact O-N 3.48Å; H344-V348 WeakPolarHBondContact O-CG2 3.36Å; H344-V348 PolarHBondContact O-N 2.93Å
345K73.1Confident67.4Low145 Ų145110.2 Ų110.263%0.6355%0.551SS**Hα-helixtrans-64.4-32174.9-167.6167.6-174.2169.70112.7L341 H342 K343 K349L341-K345 VanDerWaalsContact O-CB 3.27Å; L341-K345 WeakPolarHBondContact O-CB 3.47Å; L341-K345 PolarHBondContact O-N 2.91Å; H342-K345 PolarHBondContact O-N 3.32Å; K343-K345 PolarHBondContact O-N 3.49Å; K345-K349 WeakPolarHBondContact O-CB 3.43Å; K345-K349 PolarHBondContact O-N 3.02Å; K345-K349 VanDerWaalsContact O-N 3.14Å
346S65.3Low65.3Low65 Ų65108.8 Ų108.846%0.45556%0.561SS.*Hα-helixtrans-71.2-40.1170.262.80000113H342 K343 H344 K349 V350H342-S346 PolarHBondContact O-N 3.07Å; H342-S346 PolarHBondContact O-OG 2.86Å; K343-S346 WeakPolarHBondContact CA-OG 3.24Å; K343-S346 PolarHBondContact O-N 3.41Å; K343-S346 PolarHBondContact O-OG 2.61Å; H344-S346 VanDerWaalsContact C-N 3.31Å; H344-S346 PolarHBondContact O-N 3.21Å; S346-K349 PolarHBondContact O-N 3.17Å; S346-V350 WeakPolarHBondContact O-CG2 3.49Å; S346-V350 PolarHBondContact O-N 3.25Å
347I64.9Low62.7Low77 Ų77113.4 Ų113.440%0.39558%0.583SS.*Hα-helixtrans-63-48.8177.6-69.8162.8000110.2K343 H344 K349 V350 I351K343-I347 HydrophobicContact CG-CD1 4.13Å; K343-I347 WeakPolarHBondContact O-CG1 3.32Å; K343-I347 PolarHBondContact O-N 2.91Å; H344-I347 PolarHBondContact O-N 3.48Å; I347-K349 VanDerWaalsContact C-N 3.27Å; I347-K349 PolarHBondContact O-N 3.34Å; I347-V350 PolarHBondContact O-N 2.98Å; I347-V350 VanDerWaalsContact O-N 3.11Å; I347-I351 HydrophobicContact CG2-CD1 3.8Å; I347-I351 WeakPolarHBondContact O-CG1 3.31Å; I347-I351 PolarHBondContact O-N 2.99Å
348V58.4Low60.3Low79 Ų79119.5 Ų119.548%0.47961%0.609SS.*Hα-helixtrans-60.7-36.3175.8174.50000111.5H344 A352H344-V348 WeakPolarHBondContact O-CG2 3.36Å; H344-V348 PolarHBondContact O-N 2.93Å; V348-A352 VanDerWaalsContact O-CB 3.25Å; V348-A352 WeakPolarHBondContact O-CB 3.38Å; V348-A352 PolarHBondContact O-N 2.81Å
349K56.5Low57.8Low157 Ų157121.2 Ų121.268%0.68363%0.628SS**Hα-helixtrans-69.9-30.8174.2-105.9-160.8170-161.10114.5K345 S346 I347 V353K345-K349 WeakPolarHBondContact O-CB 3.43Å; K345-K349 PolarHBondContact O-N 3.02Å; K345-K349 VanDerWaalsContact O-N 3.14Å; S346-K349 PolarHBondContact O-N 3.17Å; I347-K349 VanDerWaalsContact C-N 3.27Å; I347-K349 PolarHBondContact O-N 3.34Å; K349-V353 VanDerWaalsContact O-CG2 3.23Å; K349-V353 WeakPolarHBondContact O-CG2 3.2Å; K349-V353 PolarHBondContact O-N 2.82Å
350V58.3Low55.2Low90 Ų90124.8 Ų124.855%0.54564%0.644SS.*Hα-helixtrans-72-45.9175169.50000109.7S346 I347 A352 V353 E354S346-V350 WeakPolarHBondContact O-CG2 3.49Å; S346-V350 PolarHBondContact O-N 3.25Å; I347-V350 PolarHBondContact O-N 2.98Å; I347-V350 VanDerWaalsContact O-N 3.11Å; V350-A352 VanDerWaalsContact C-N 3.31Å; V350-A352 PolarHBondContact O-N 3.27Å; V350-V353 PolarHBondContact O-N 3.14Å; V350-E354 PolarHBondContact O-N 2.85Å
351I54Low52.6Low111 Ų111124.3 Ų124.357%0.56966%0.663SS**Hα-helixtrans-59.7-42.3175.9-63.8165.3000110.8I347 V353 E354I347-I351 HydrophobicContact CG2-CD1 3.8Å; I347-I351 WeakPolarHBondContact O-CG1 3.31Å; I347-I351 PolarHBondContact O-N 2.99Å; I351-V353 PolarHBondContact O-N 3.41Å; I351-V353 VanDerWaalsContact O-N 3.16Å; I351-E354 PolarHBondContact O-N 3.05Å
352A49.9Very low50.1Low78 Ų78130.6 Ų130.665%0.64569%0.69SS**THydrogen-bonded Turntrans-75.58.5176.400000114.9V348 V350V348-A352 VanDerWaalsContact O-CB 3.25Å; V348-A352 WeakPolarHBondContact O-CB 3.38Å; V348-A352 PolarHBondContact O-N 2.81Å; V350-A352 VanDerWaalsContact C-N 3.31Å; V350-A352 PolarHBondContact O-N 3.27Å
353V52.7Low47.7Very low118 Ų118127.9 Ų127.972%0.71570%0.699SS**THydrogen-bonded Turntrans-113.5-8.1171166.80000111.2K349 V350 I351 E355K349-V353 VanDerWaalsContact O-CG2 3.23Å; K349-V353 WeakPolarHBondContact O-CG2 3.2Å; K349-V353 PolarHBondContact O-N 2.82Å; V350-V353 PolarHBondContact O-N 3.14Å; I351-V353 PolarHBondContact O-N 3.41Å; I351-V353 VanDerWaalsContact O-N 3.16Å; V353-E355 PolarHBondContact O-N 3.46Å
354E41.9Very low45.3Very low154 Ų154131.3 Ų131.372%0.7272%0.717SS**  trans-95.845.2174.9-66.7-171.8133.500112.9V350 I351V350-E354 PolarHBondContact O-N 2.85Å; I351-E354 PolarHBondContact O-N 3.05Å
355E32Very low43Very low180 Ų180132.2 Ų132.284%0.84173%0.727SS**  trans-91.4122.9155-77.4-154.5134.400109.4V353 E357V353-E355 PolarHBondContact O-N 3.46Å; E355-E357 PolarHBondContact O-N 3.15Å
356P37.4Very low40.8Very low121 Ų121132.7 Ų132.779%0.78674%0.736SS**  trans-82.4112.1-175.530.9-33.4000112
357E29.9Very low39Very low195 Ų195133.8 Ų133.891%0.91175%0.749SS**PPolyproline II helixtrans-60.6142.3161.4-80.9-160.4122.200110.7E355E355-E357 PolarHBondContact O-N 3.15Å
358K32.2Very low37.7Very low200 Ų200135.9 Ų135.987%0.8777%0.768SS**PPolyproline II helixtrans-84.2135.2-168-67.5174.2-177.71700111.8N360K358-N360 PolarHBondContact O-N 2.83Å
359T29.8Very low37.2Very low135 Ų135138 Ų13883%0.82878%0.783SS**PPolyproline II helixtrans-54.3132.2168.9-280000111.9
360N27.6Very low36Very low165 Ų165135.1 Ų135.188%0.88279%0.788SS**  trans-170.9139.2155.3-103.4-21000111.9K358K358-N360 PolarHBondContact O-N 2.83Å
361G26.8Very low34.8Very low80 Ų80136.8 Ų136.883%0.82580%0.801SS**  trans93123.9158.100000116.9
362E28.4Very low34Very low209 Ų209138.7 Ų138.798%0.97781%0.808SS**  trans-88.3155165.4-62.9163.4122.100110.2
363G27.4Very low33Very low80 Ų80142.7 Ų142.783%0.82582%0.818SS**  trans179.6129.7173.900000112.8
364E29.2Very low32.3Very low192 Ų192144.3 Ų144.390%0.89782%0.816SS**  trans-80.3149.9176.2-62.8160.5106.600110.8
365D28.3Very low32Very low146 Ų146144.6 Ų144.678%0.78182%0.822SS**  179.9-176.297.9-135-38.6000113.8
366N26.6Very low31.9Very low155 Ų155147.3 Ų147.383%0.82982%0.824SS**  trans-80.4175.8-158.6-82.5-90.3000119.1
367A26.9Very low31.6Very low88 Ų88149.8 Ų149.873%0.72783%0.83SS**  trans-73.5-176.6177.600000113.4
368P37.2Very low31.5Very low121 Ų121149.6 Ų149.679%0.78683%0.826SS**  cis-136.2-167.118.346.1-25000114.8
369P47.8Very low31.3Very low124 Ų124147.8 Ų147.881%0.80583%0.825SS**  trans-105.4-177.8-161.741.4-36.8000117.2
370A31.1Very low31Very low96 Ų96150.5 Ų150.579%0.79383%0.826SS**  trans86.615617200000115.8
371P33.6Very low31Very low125 Ų125148.8 Ų148.881%0.81282%0.823SS**  cis-119-1779.942.6-30.3000116.3
372E37.2Very low30.9Very low151 Ų151150 Ų15071%0.70682%0.819SS**  trans-66.9148.9169.7-51.8-177.814000112.1K374E372-K374 WeakPolarHBondContact OE2-CE 3.46Å; E372-K374 IonicContact OE2-NZ 2.72Å; E372-K374 PolarHBondContact OE2-NZ 3.35Å
373D29Very low31Very low161 Ų161147.6 Ų147.686%0.86181%0.813SS**  trans-123.3135156.6-164.1-3.6000110.7
374K38.4Very low31.1Very low153 Ų153153.3 Ų153.367%0.66582%0.818SS**  trans-112.973.5-167.7-76.4177175.31330111.3E372E372-K374 WeakPolarHBondContact OE2-CE 3.46Å; E372-K374 IonicContact OE2-NZ 2.72Å; E372-K374 PolarHBondContact OE2-NZ 3.35Å
375N35Very low31.2Very low160 Ų160155.8 Ų155.886%0.85682%0.819SS**  trans-157.178.4158.2-101.3-35.2000114.2
376R29.2Very low31.1Very low236 Ų236152.1 Ų152.189%0.89182%0.816SS**  trans-151.7107.1153.3-135174.5-176.2-169.9-0111.9K378R376-K378 PolarHBondContact O-N 3.04Å
377L32.4Very low31.3Very low174 Ų174148.8 Ų148.891%0.91182%0.817SS**  trans-64.891.9172.3-83160.6000110.1L379L377-L379 PolarHBondContact O-N 3.28Å
378K26.8Very low31.3Very low190 Ų190149.9 Ų149.983%0.82682%0.82SS**  trans-74.9109.7164.8-72.3-177.3177.9177.60108.4R376 K380R376-K378 PolarHBondContact O-N 3.04Å; K378-K380 PolarHBondContact O-N 2.93Å
379L27.8Very low31.1Very low162 Ų162149.6 Ų149.685%0.84882%0.821SS**PPolyproline II helixtrans-55.8129.9160.4-88.879.8000108.4L377L377-L379 PolarHBondContact O-N 3.28Å
380K24.6Very low30.4Very low192 Ų192147.8 Ų147.884%0.83582%0.817SS**PPolyproline II helixtrans-69.9139.6160.8-79.3-179.6173.91770108.2K378 S382K378-K380 PolarHBondContact O-N 2.93Å; K380-S382 PolarHBondContact O-N 3Å
381P26.9Very low30.5Very low129 Ų129149 Ų14984%0.83882%0.819SS**PPolyproline II helixtrans-62.1123.7161.328-32.3000108.1
382S25.2Very low30.3Very low106 Ų106149.4 Ų149.474%0.74181%0.813SS**PPolyproline II helixtrans-86.3129.8-175.7-163.40000111.6K380K380-S382 PolarHBondContact O-N 3Å
383L29.4Very low30.3Very low159 Ų159147.7 Ų147.783%0.83281%0.805SS**  trans43.585.4156.2-61176.8000118R385L383-R385 PolarHBondContact O-N 2.91Å
384Q30.4Very low30.8Very low200 Ų200145.9 Ų145.994%0.93580%0.795SS**  trans-57.996.2157-179.2179.11.500111G386Q384-G386 PolarHBondContact O-N 3.09Å
385R30.7Very low30.8Very low244 Ų244143.3 Ų143.392%0.92180%0.797SS**  trans-76.8115.7176.1-158.7170.4-170.2162.81.4109.8L383L383-R385 PolarHBondContact O-N 2.91Å
386G26.1Very low30.9Very low69 Ų69138.3 Ų138.371%0.71177%0.772SS**  trans-74.9142.6-172.400000113.9Q384Q384-G386 PolarHBondContact O-N 3.09Å
387G31.4Very low31.3Very low84 Ų84133.1 Ų133.187%0.86676%0.76SS**  trans-79.3128.4175.800000112.8
388S26.9Very low31.5Very low111 Ų111133.1 Ų133.178%0.77675%0.748SS**  trans-151.848172.2-172.70000112.2A390S388-A390 PolarHBondContact O-N 3.26Å
389S33.1Very low31.9Very low115 Ų115129.9 Ų129.980%0.80474%0.739SS**  trans-71.690.9178.1-45.30000111.4
390A33.3Very low32.3Very low87 Ų87125.7 Ų125.772%0.71972%0.721SS**  trans-160.5136.3165.400000109.9S388S388-A390 PolarHBondContact O-N 3.26Å
391S33.1Very low33.1Very low120 Ų120121.9 Ų121.984%0.83971%0.708SS**SBendtrans61.281.8173.9179.90000116.4
392L28.8Very low33.4Very low134 Ų134121.5 Ų121.570%0.70269%0.694SS**  176.780.7106.5-163.2124.8000110.9T396L392-T396 PolarHBondContact O-OG1 2.94Å; L392-T396 VanDerWaalsContact O-OG1 3.05Å
393H37.3Very low33.9Very low116 Ų116124.2 Ų124.254%0.53769%0.694SS.*  trans-117.7107.4175.8-107.4-146.4000110.1D219D219-H393 IonicContact OD2-CE1 2.7Å; D219-H393 PolarHBondContact OD2-CE1 3.37Å; D219-H393 IonicContact OD2-ND1 2.68Å; D219-H393 PolarHBondContact OD2-ND1 3.46Å
394N40.7Very low34.1Very low122 Ų122121.6 Ų121.665%0.65268%0.681SS**SBendtrans-170.733.7158.5-151.4-47.6000111.4
395S37.6Very low34.3Very low100 Ų100118 Ų11870%0.69967%0.665SS**SBendtrans-176.9-39-179.5-178.70000111.9M397S395-M397 VanDerWaalsContact C-N 3.33Å; S395-M397 PolarHBondContact O-N 3.2Å
396T37.8Very low34.9Very low55 Ų55112.9 Ų112.934%0.33766%0.655SS.*Hα-helixtrans-74.9-9.6-1601.70000116.2L392 T400L392-T396 PolarHBondContact O-OG1 2.94Å; L392-T396 VanDerWaalsContact O-OG1 3.05Å; T396-T400 PolarHBondContact O-N 3.02Å; T396-T400 PolarHBondContact O-OG1 3.33Å
397M36.3Very low35.5Very low126 Ų126117.5 Ų117.562%0.62166%0.658SS**Hα-helixtrans-73.4-38.7-173.4-156.8159.7-179.200112.6S395S395-M397 VanDerWaalsContact C-N 3.33Å; S395-M397 PolarHBondContact O-N 3.2Å
398R37.7Very low35.6Very low175 Ų175118.8 Ų118.866%0.6665%0.649SS**Hα-helixtrans-65.2-50.7177.3-69.9-166.5-70.6-151.51.5113T400 D522R398-T400 VanDerWaalsContact C-N 3.34Å; R398-T400 PolarHBondContact O-N 3.18Å; R398-D522 IonicContact NH1-OD2 3.27Å; R398-D522 PolarHBondContact NH1-OD2 2.86Å; R398-D522 VanDerWaalsContact NH1-OD2 3.13Å
399N35.8Very low35.8Very low122 Ų122121 Ų12165%0.65265%0.651SS**Hα-helixtrans-75.3-16.7-172.8-74.748.4000115
400T35.8Very low35.8Very low74 Ų74121.6 Ų121.645%0.45465%0.645SS.*Hα-helixtrans-78.6-27.4-176.5-55.50000112.2T396 R398 L404T396-T400 PolarHBondContact O-N 3.02Å; T396-T400 PolarHBondContact O-OG1 3.33Å; R398-T400 VanDerWaalsContact C-N 3.34Å; R398-T400 PolarHBondContact O-N 3.18Å; T400-L404 HydrophobicContact CG2-CD1 4.23Å; T400-L404 PolarHBondContact O-N 3.09Å
401I40.4Very low36.2Very low111 Ų111122.8 Ų122.857%0.56965%0.646SS**Hα-helixtrans-69.6-53.1177.3-64.8173.4000110.1Q403 L404 M405I401-Q403 PolarHBondContact O-N 3.18Å; I401-Q403 VanDerWaalsContact O-N 3.09Å; I401-L404 PolarHBondContact O-N 2.64Å; I401-M405 PolarHBondContact O-N 3.15Å
402F34Very low36.2Very low122 Ų122124.5 Ų124.554%0.53565%0.645SS.*Hα-helixtrans-53.4-32.6-179.7-91.5-83.8000115
403Q35.6Very low36.5Very low162 Ų162120.4 Ų120.476%0.75764%0.635SS**Hα-helixtrans-86.5-24.1177.5-72.1-1581.900114.9I401I401-Q403 PolarHBondContact O-N 3.18Å; I401-Q403 VanDerWaalsContact O-N 3.09Å
404L34.3Very low36.9Very low105 Ų105122.4 Ų122.455%0.5565%0.65SS.*Hα-helixtrans-80.3-31173.4-87159.1000111.7T400 I401 I406 H407T400-L404 HydrophobicContact CG2-CD1 4.23Å; T400-L404 PolarHBondContact O-N 3.09Å; I401-L404 PolarHBondContact O-N 2.64Å; L404-I406 VanDerWaalsContact C-N 3.28Å; L404-I406 PolarHBondContact O-N 2.88Å; L404-H407 PolarHBondContact O-N 3.29Å
405M34Very low36.9Very low123 Ų123119.2 Ų119.261%0.60665%0.645SS**Hα-helixtrans-60.8-34.3175.8-162.5160.380.200113I401 H407I401-M405 PolarHBondContact O-N 3.15Å; M405-H407 VanDerWaalsContact C-N 3.29Å; M405-H407 PolarHBondContact O-N 3.08Å
406I42.1Very low36.8Very low138 Ų138123.8 Ų123.871%0.70865%0.653SS**THydrogen-bonded Turntrans-71.9-15.5-178.8-73173.9000113.8L404L404-I406 VanDerWaalsContact C-N 3.28Å; L404-I406 PolarHBondContact O-N 2.88Å
407H39.3Very low36.6Very low166 Ų166128.9 Ų128.977%0.76967%0.67SS**THydrogen-bonded Turntrans-132.415.6-165.7-136.3-53.2000116L404 M405L404-H407 PolarHBondContact O-N 3.29Å; M405-H407 VanDerWaalsContact C-N 3.29Å; M405-H407 PolarHBondContact O-N 3.08Å
408T33.8Very low36.7Very low111 Ų111130 Ų13068%0.68167%0.672SS**SBendtrans-140.915.5178-380000114.9
409L32.1Very low36.7Very low158 Ų158129.3 Ų129.383%0.82768%0.676SS**  trans-127.499.9165.2-84.4172.3000111.2
410D32.4Very low36.8Very low126 Ų126131.6 Ų131.667%0.67468%0.68SS**  -161.6128.4121.5-168.819.8000106.6L412D410-L412 PolarHBondContact OD1-N 3.07Å
411P41.9Very low37Very low113 Ų113130.8 Ų130.873%0.73468%0.681SS**SBend-147.2101.5105.834.9-16.5000113.7
412L32.7Very low37Very low155 Ų155131.9 Ų131.981%0.81268%0.683SS**  16773.6116.3-86.1160.3000112D410D410-L412 PolarHBondContact OD1-N 3.07Å
413G34.5Very low37.5Very low49 Ų49130.2 Ų130.251%0.50568%0.683SS.*  trans-101.929.4167.100000114.7G415G413-G415 PolarHBondContact O-N 3.04Å
414D46.3Very low37.9Very low158 Ų158128.8 Ų128.885%0.84568%0.681SS**  trans-79114.3-164.8-153.80.8000112.6
415G40.2Very low38.2Very low54 Ų54128.5 Ų128.556%0.55768%0.68SS**SBendtrans158-89.4-174.600000113.3G413 F417G413-G415 PolarHBondContact O-N 3.04Å; G415-F417 VanDerWaalsContact C-N 3.31Å; G415-F417 PolarHBondContact O-N 3.09Å
416K35.6Very low38.8Very low197 Ų197125.6 Ų125.686%0.85767%0.671SS**THydrogen-bonded Turntrans-72.8-10.9-170.1-65.3-176.2178.7179.90115.1
417F34.2Very low39.3Very low161 Ų161122.6 Ų122.671%0.70666%0.659SS**Hα-helixtrans-79.6-24.6-174.6-107.6-82.6000116G415 E419 A421G415-F417 VanDerWaalsContact C-N 3.31Å; G415-F417 PolarHBondContact O-N 3.09Å; F417-E419 PolarHBondContact O-N 2.78Å; F417-A421 WeakPolarHBondContact O-CB 3.42Å; F417-A421 PolarHBondContact O-N 2.89Å; F417-A421 VanDerWaalsContact O-N 3.12Å
418K37.4Very low39.5Very low150 Ų150117.4 Ų117.465%0.65265%0.645SS**Hα-helixtrans-66.5-39.6-166.9-162.6171.1-176.41760113.3A421 E422K418-A421 PolarHBondContact O-N 2.99Å; K418-E422 PolarHBondContact O-N 3.41Å; K418-E422 VanDerWaalsContact O-N 3.1Å
419E38Very low39.9Very low161 Ų161120.9 Ų120.975%0.75265%0.645SS**Hα-helixtrans-73.2-41.3-177.1-166165-139.400112.5F417 A421 T423F417-E419 PolarHBondContact O-N 2.78Å; E419-A421 VanDerWaalsContact C-N 3.32Å; E419-A421 PolarHBondContact O-N 3.47Å; E419-T423 WeakPolarHBondContact O-CB 3.21Å; E419-T423 PolarHBondContact O-N 3.08Å; E419-T423 VanDerWaalsContact O-N 3.13Å; E419-T423 PolarHBondContact O-OG1 3.04Å
420K37.5Very low40.4Very low170 Ų170123.1 Ų123.174%0.73964%0.643SS**Hα-helixtrans-61.8-39.3171.7-72.4-176.5177.41780111.3L424K420-L424 PolarHBondContact O-N 3.38Å; K420-L424 VanDerWaalsContact O-N 3.12Å
421A41.1Very low40.9Very low56 Ų56124.6 Ų124.646%0.46364%0.643SS.*Hα-helixtrans-67-44.617900000113.6F417 K418 E419 L424 N425F417-A421 WeakPolarHBondContact O-CB 3.42Å; F417-A421 PolarHBondContact O-N 2.89Å; F417-A421 VanDerWaalsContact O-N 3.12Å; K418-A421 PolarHBondContact O-N 2.99Å; E419-A421 VanDerWaalsContact C-N 3.32Å; E419-A421 PolarHBondContact O-N 3.47Å; A421-L424 PolarHBondContact O-N 3.23Å; A421-N425 WeakPolarHBondContact O-CB 3.42Å; A421-N425 PolarHBondContact O-N 3.27Å; A421-N425 VanDerWaalsContact O-N 3.13Å
422E40.9Very low40.5Very low134 Ų134122.5 Ų122.563%0.62663%0.631SS**Hα-helixtrans-66.2-39.5177.8-71.9-174.3-16600111.8K418 L424 N425 S426K418-E422 PolarHBondContact O-N 3.41Å; K418-E422 VanDerWaalsContact O-N 3.1Å; E422-L424 PolarHBondContact O-N 3.38Å; E422-N425 PolarHBondContact O-N 3.08Å; E422-S426 PolarHBondContact O-N 3.06Å; E422-S426 VanDerWaalsContact O-N 3.08Å
423T42.9Very low40.8Very low87 Ų87120.1 Ų120.153%0.53462%0.623SS.*Hα-helixtrans-57.6-50.9175-57.80000111.3E419 N425 S426 V427E419-T423 WeakPolarHBondContact O-CB 3.21Å; E419-T423 PolarHBondContact O-N 3.08Å; E419-T423 VanDerWaalsContact O-N 3.13Å; E419-T423 PolarHBondContact O-OG1 3.04Å; T423-N425 PolarHBondContact O-N 3.19Å; T423-S426 WeakPolarHBondContact O-CB 3.31Å; T423-S426 PolarHBondContact O-N 3.18Å; T423-S426 PolarHBondContact O-OG 3.47Å; T423-V427 PolarHBondContact O-N 2.78Å
424L43.9Very low40.8Very low133 Ų133121.7 Ų121.770%0.69663%0.626SS**Hα-helixtrans-63.8-38.8-178.9-163.272.5000112.5K420 A421 E422 S426 V427 A428K420-L424 PolarHBondContact O-N 3.38Å; K420-L424 VanDerWaalsContact O-N 3.12Å; A421-L424 PolarHBondContact O-N 3.23Å; E422-L424 PolarHBondContact O-N 3.38Å; L424-S426 VanDerWaalsContact C-N 3.33Å; L424-S426 PolarHBondContact O-N 3.24Å; L424-V427 PolarHBondContact O-N 2.69Å; L424-A428 PolarHBondContact O-N 2.95Å
425N41.4Very low40.2Very low99 Ų99123.1 Ų123.153%0.52963%0.625SS.*Hα-helixtrans-68.3-32.3179.6-153.5-21000112.1A421 E422 T423 A428 R429A421-N425 WeakPolarHBondContact O-CB 3.42Å; A421-N425 PolarHBondContact O-N 3.27Å; A421-N425 VanDerWaalsContact O-N 3.13Å; E422-N425 PolarHBondContact O-N 3.08Å; T423-N425 PolarHBondContact O-N 3.19Å; N425-A428 PolarHBondContact O-N 2.9Å; N425-R429 PolarHBondContact O-N 2.95Å
426S46.5Very low39.8Very low62 Ų62125 Ų12543%0.43463%0.629SS.*Hα-helixtrans-63.2-40.4173.384.70000112.6E422 T423 L424 R429 R430E422-S426 PolarHBondContact O-N 3.06Å; E422-S426 VanDerWaalsContact O-N 3.08Å; T423-S426 WeakPolarHBondContact O-CB 3.31Å; T423-S426 PolarHBondContact O-N 3.18Å; T423-S426 PolarHBondContact O-OG 3.47Å; L424-S426 VanDerWaalsContact C-N 3.33Å; L424-S426 PolarHBondContact O-N 3.24Å; S426-R429 PolarHBondContact O-N 3.1Å; S426-R430 PolarHBondContact O-N 2.84Å
427V53.6Low39.6Very low75 Ų75126.5 Ų126.546%0.45563%0.63SS.*Hα-helixtrans-70.9-41.1177.7177.80000110.7T423 L424 R429 R430 K431T423-V427 PolarHBondContact O-N 2.78Å; L424-V427 PolarHBondContact O-N 2.69Å; V427-R429 PolarHBondContact O-N 3.34Å; V427-R430 PolarHBondContact O-N 3.49Å; V427-K431 PolarHBondContact O-N 2.79Å; V427-K431 VanDerWaalsContact O-N 3.15Å
428A43.1Very low39.6Very low56 Ų56127.5 Ų127.546%0.46364%0.637SS.*Hα-helixtrans-59.2-43.7174.600000112.1L424 N425 R430 K431 S432L424-A428 PolarHBondContact O-N 2.95Å; N425-A428 PolarHBondContact O-N 2.9Å; A428-R430 VanDerWaalsContact C-N 3.34Å; A428-R430 PolarHBondContact O-N 2.68Å; A428-K431 PolarHBondContact O-N 2.81Å; A428-S432 PolarHBondContact O-N 3.06Å; A428-S432 PolarHBondContact O-OG 3.18Å
429R42Very low39.3Very low184 Ų184130.2 Ų130.269%0.69465%0.648SS**Hα-helixtrans-62-35.5174.9-82.2-175.1167.6-170.3-2.8113.4N425 S426 V427 S432 V433N425-R429 PolarHBondContact O-N 2.95Å; S426-R429 PolarHBondContact O-N 3.1Å; V427-R429 PolarHBondContact O-N 3.34Å; R429-S432 PolarHBondContact O-OG 3.28Å; R429-V433 WeakPolarHBondContact O-CG2 3.34Å; R429-V433 PolarHBondContact O-N 3.22Å
430R42.4Very low38.8Very low206 Ų206128.3 Ų128.378%0.77765%0.653SS**Hα-helixtrans-68.7-33.8174.8-72.4-178.7177.7170.41.6112.5S426 V427 A428S426-R430 PolarHBondContact O-N 2.84Å; V427-R430 PolarHBondContact O-N 3.49Å; A428-R430 VanDerWaalsContact C-N 3.34Å; A428-R430 PolarHBondContact O-N 2.68Å
431K42.4Very low38.3Very low156 Ų156129.9 Ų129.968%0.67866%0.663SS**Hα-helixtrans-78.4-23.8176-78.9-177.2175.2175.60114.7V427 A428 S434V427-K431 PolarHBondContact O-N 2.79Å; V427-K431 VanDerWaalsContact O-N 3.15Å; A428-K431 PolarHBondContact O-N 2.81Å; K431-S434 PolarHBondContact O-OG 3.09Å
432S35Very low37.6Very low69 Ų69131 Ų13148%0.48368%0.68SS.*Hα-helixtrans-81.2-30.7178.262.70000113.7A428 R429 S436A428-S432 PolarHBondContact O-N 3.06Å; A428-S432 PolarHBondContact O-OG 3.18Å; R429-S432 PolarHBondContact O-OG 3.28Å; S432-S436 PolarHBondContact O-N 3.11Å; S432-S436 PolarHBondContact O-OG 3.2Å
433V37.1Very low36.9Very low106 Ų106134.4 Ų134.464%0.64269%0.693SS**Hα-helixtrans-71.4-33.7177.31740000112.5R429 S436R429-V433 WeakPolarHBondContact O-CG2 3.34Å; R429-V433 PolarHBondContact O-N 3.22Å; V433-S436 PolarHBondContact O-OG 3.45Å
434S35.4Very low36.1Very low81 Ų81136.1 Ų136.157%0.56671%0.708SS**Hα-helixtrans-71.4-42.4175.554.30000112.4K431 S436K431-S434 PolarHBondContact O-OG 3.09Å; S434-S436 VanDerWaalsContact C-N 3.25Å; S434-S436 PolarHBondContact O-N 2.89Å
435K34Very low35.2Very low188 Ų188133 Ų13382%0.81771%0.708SS**Hα-helixtrans-74.4-8.7-175.4-159.2167.4-175.41750114.7
436S31.4Very low34.4Very low93 Ų93138 Ų13865%0.6573%0.725SS**THydrogen-bonded Turntrans-96.61.9-177.841.70000114.8S432 V433 S434S432-S436 PolarHBondContact O-N 3.11Å; S432-S436 PolarHBondContact O-OG 3.2Å; V433-S436 PolarHBondContact O-OG 3.45Å; S434-S436 VanDerWaalsContact C-N 3.25Å; S434-S436 PolarHBondContact O-N 2.89Å
437R31.6Very low33.2Very low229 Ų229140.3 Ų140.386%0.86474%0.737SS**SBendtrans-98.2-12.6-177.8-173.5165.3167.6149.2-3.3115.7
438E34.6Very low31.9Very low183 Ų183144.8 Ų144.886%0.85575%0.752SS**SBendtrans-110.516.3-170.9-69.8-168.2134.700115.9
439K31.1Very low30.9Very low206 Ų206150.1 Ų150.190%0.89677%0.768SS**  trans-143.466178-134.7168.7-170.8174.50115.1
440S26.9Very low30Very low122 Ų122145.7 Ų145.785%0.85377%0.765SS**  trans-14453171.1-158.60000112.9
441E28Very low29Very low202 Ų202145.9 Ų145.994%0.94477%0.772SS**  trans-153.3152.3167.7-119.7169-153.300111.2
442G26.1Very low28.1Very low80 Ų80146.7 Ų146.783%0.82578%0.778SS**  trans97.6133.2-176.600000114.8
443K26.3Very low28.1Very low206 Ų206148.3 Ų148.390%0.89679%0.787SS**  trans-153.5138.5-166.1-173.1-169.3176-178.30113.8
444S25.1Very low27.4Very low122 Ų122152.1 Ų152.185%0.85380%0.797SS**  trans74.6139.2158.1-168.40000120.1
445G24.3Very low26.9Very low67 Ų67152.8 Ų152.869%0.69181%0.808SS**  trans149.784.2143.900000121.2
446K25Very low26.4Very low206 Ų206150.2 Ų150.290%0.89681%0.808SS**  trans56120145.7-98.7-170.6169.6-164.50123.9
447T22.6Very low26.6Very low109 Ų109151.5 Ų151.567%0.66981%0.814SS**  trans10.3140.6131.3-19.20000123.2
448E24.9Very low26.3Very low169 Ų169144.8 Ų144.879%0.7981%0.808SS**  128.9130.4117.9-140.4136-111.700118.8
449E22.9Very low25.9Very low168 Ų168144.3 Ų144.379%0.78580%0.803SS**  trans47.6119.7157.4-71.5-146.996.500126.7
450S22.2Very low25.6Very low91 Ų91140.3 Ų140.364%0.63679%0.791SS**  55.8109.4115.9-46.60000122.6
451K22.7Very low25.5Very low211 Ų211138.7 Ų138.792%0.91779%0.786SS**  173.9145.7118.1-102.5176.5-179.7178.50117.9
452E22.4Very low25.4Very low173 Ų173136.9 Ų136.981%0.80878%0.777SS**  trans-85168.8149-94.2-172.9133.500110.2
453P35.5Very low25.3Very low103 Ų103140.7 Ų140.767%0.66977%0.771SS**  cis-147.8178.929.844.3-24.4000119.2
454E23.3Very low25.1Very low185 Ų185138.8 Ų138.886%0.86476%0.763SS**  trans66.9152.2140.5-87.7-171.712600125.8
455A24.3Very low25.1Very low96 Ų96140.7 Ų140.779%0.79376%0.758SS**  trans89.5111.9148.500000122.3
456T23.8Very low25.1Very low134 Ų134145.9 Ų145.982%0.82276%0.764SS**  trans-69.6162.2154180000111.8
457P34.5Very low25.5Very low119 Ų119142.3 Ų142.377%0.77376%0.762SS**  -159.8143.267.240.4-17000122
458A26.3Very low25.6Very low89 Ų89145.7 Ų145.774%0.73677%0.771SS**  trans66.5162130.500000124.2
459K25Very low25.7Very low172 Ų172141.5 Ų141.575%0.74877%0.765SS**  trans78.9146.5164.1-66.1-177.2143.6-87.10117.6
460D25.2Very low25.9Very low122 Ų122142.5 Ų142.565%0.65277%0.767SS**  cis-150.5134-8.5-93.5-30.5000106.4
461A26.1Very low26Very low89 Ų89145.9 Ų145.974%0.73677%0.77SS**  93.112788.800000117.5
462E25Very low26.2Very low163 Ų163141 Ų14176%0.76275%0.754SS**  trans58.9157.5163.9-63.4-158.496.200119.3
463K23.3Very low26.5Very low161 Ų161140.8 Ų140.870%0.776%0.758SS**  cis-151-174.24.5-140.5-177.6-170.482.60112
464K22.7Very low26.3Very low165 Ų165142.4 Ų142.472%0.71777%0.766SS**  trans-49.2172.6168.2-61.9-174.1175.9-170.80114.6
465E24.4Very low27Very low162 Ų162139 Ų13976%0.75776%0.76SS**  cis-166.6162.640.3-145.9136-121.400113.7
466E25Very low27.2Very low176 Ų176138.1 Ų138.182%0.82275%0.753SS**  trans-81.8165.7167.5-69.2176.5116.400111.5
467P32.5Very low27.4Very low131 Ų131140.1 Ų140.185%0.85175%0.753SS**  -144.4173.8107.739.1-25.3000115.7
468E26.4Very low27.1Very low181 Ų181142.9 Ų142.985%0.84676%0.755SS**  trans-91.2173.1-171.3-49.9173.896.900116.2
469A27Very low27Very low81 Ų81141.4 Ų141.467%0.66975%0.749SS**  trans95.6117.2131.600000123
470K26.2Very low27.1Very low188 Ų188140.6 Ų140.682%0.81775%0.753SS**  80.9106.9128.6-74.8179.4179.9174.70122.8
471K25.1Very low27.2Very low162 Ų162139.5 Ų139.570%0.70476%0.755SS**  83138.4114.4-86.2-169.7143.1-72.30122.7
472D26.5Very low27.3Very low110 Ų110144.1 Ų144.159%0.58876%0.761SS**  trans56.8115.8144.4-46.7-15.8000120.9
473D27.9Very low27.4Very low168 Ų168139.4 Ų139.490%0.89876%0.756SS**  -179.1161.2109.9-99.6-24.4000113.4
474V31.6Very low27.6Very low136 Ų136136.9 Ų136.982%0.82476%0.759SS**  trans-146.2140.6178.5-179.40000110.5
475P38.7Very low27.9Very low114 Ų114136 Ų13674%0.7476%0.762SS**  trans-146.9161.7145.938.2-22.9000116.9
476A27.9Very low28.2Very low78 Ų78135.4 Ų135.465%0.64576%0.764SS**  trans68.9160148.700000120
477E27.7Very low28.4Very low175 Ų175131.9 Ų131.982%0.81876%0.758SS**  cis-174.3164.1-15.9-99.4152.7-146.300106.6
478Q27.8Very low28.2Very low177 Ų177133 Ų13383%0.82776%0.758SS**  cis-167.7155.5-21.3172.7171.3-400109.4
479G25.8Very low28.3Very low58 Ų58128.3 Ų128.360%0.59875%0.745SS**  trans133.7153.9165.100000112.9
480D27.2Very low28.4Very low156 Ų156130.8 Ų130.883%0.83475%0.747SS**  cis160149.9-2.3-90.7-14000103.2
481S27.3Very low28.7Very low99 Ų99130.6 Ų130.669%0.69275%0.748SS**  cis-158.3-174.9-10.4-163.70000110.2
482E27.8Very low28.8Very low186 Ų186130.3 Ų130.387%0.86976%0.755SS**  trans-56.1167.5176.7-54.9146.715100114.8
483G26.9Very low29Very low64 Ų64131.8 Ų131.866%0.6676%0.763SS**  cis164.6169.8-400000113.9
484S28Very low29Very low108 Ų108128.1 Ų128.176%0.75575%0.75SS**  trans68.4139.4146.1540000125.7
485D27.5Very low28.8Very low146 Ų146129.2 Ų129.278%0.78175%0.752SS**  trans86100.7142.4-56.1-7.5000125.1
486D30.6Very low28.4Very low149 Ų149131.7 Ų131.780%0.79775%0.753SS**  59.6137.2120.5-75.1-1.2000128.2
487S30Very low28.4Very low102 Ų102136.3 Ų136.371%0.71376%0.762SS**  trans100.7143.2135.166.30000124.1
488D29Very low28.2Very low156 Ų156134 Ų13483%0.83476%0.76SS**  trans64.2148.9162.2-59.8-9.3000121
489S27.9Very low28.2Very low82 Ų82133.6 Ų133.657%0.57376%0.758SS**  cis-169.3172.3-23.359.20000111.2
490D29.8Very low28.2Very low133 Ų133139 Ų13971%0.71177%0.767SS**  trans71.3123.3154.4-49.5-32.5000119.5
491E31.2Very low28.4Very low183 Ų183137 Ų13786%0.85577%0.765SS**  68.5134.788.5-72.7-173-175.700114.9
492D28.3Very low28.3Very low157 Ų157138 Ų13884%0.8477%0.772SS**  cis-163.5-1680.8-164.88000110.7
493D29.7Very low28.7Very low141 Ų141138 Ų13875%0.75477%0.772SS**  trans103.7164.4154.5-143.4-4.2000119.1
494S28.6Very low29Very low91 Ų91142.9 Ų142.964%0.63678%0.783SS**  -146.5155.4-129.461.20000115.9
495N28.3Very low29.4Very low159 Ų159146.6 Ų146.685%0.8579%0.789SS**  trans-170.8171.3143.1-112.9-74.1000114.6
496E28.6Very low29.6Very low166 Ų166147.8 Ų147.878%0.77680%0.795SS**  trans-98.3153.6-158.8-62.5172.4140.900116.5
497E28.5Very low29.9Very low175 Ų175149.4 Ų149.482%0.81880%0.798SS**  trans39.3130.9145.2-62-178.8177.500122.6
498T23.7Very low30.1Very low127 Ų127151.8 Ų151.878%0.77980%0.803SS**  173.3111.2110-65.20000113
499E27.8Very low30.3Very low168 Ų168153 Ų15379%0.78580%0.804SS**  trans59.9152.4148.2-60.2-70.9-171.800125.6
500E25.8Very low30.8Very low171 Ų171155 Ų15580%0.79981%0.808SS**  trans63.997.4152.7-75.4-179174.600123.7
501S30.8Very low31.1Very low113 Ų113154.4 Ų154.479%0.7980%0.801SS**  53.4119.7126.766.20000123.4
502S26Very low31.1Very low121 Ų121151.8 Ų151.885%0.84679%0.792SS**  trans-164.7104.6130.460.50000112.1
503E36.1Very low31.3Very low185 Ų185149 Ų14986%0.86477%0.774SS**  trans-95.5133.3149-64.1174.4164.800105.3
504D32.4Very low31.6Very low167 Ų167150.3 Ų150.389%0.89377%0.77SS**  trans155.877.3166.5-83.9-19.6000111.7
505E36.3Very low31.8Very low186 Ų186151.2 Ų151.287%0.86976%0.764SS**  trans-156.175.2159.2-76.5-157.8162.500110.1
506D33.1Very low31.8Very low172 Ų172150 Ų15092%0.9275%0.754SS**SBendtrans-155.110.2177.7-108.4-27.4000115.1
507E36.2Very low32.1Very low182 Ų182146.6 Ų146.685%0.8574%0.738SS**SBendtrans-108.8-7.4-176.8-68.4-163.415100115.6
508D34.3Very low32.5Very low153 Ų153141.9 Ų141.982%0.81872%0.716SS**THydrogen-bonded Turntrans-84.4-16.2-169.4-81.7-18.8000115.3
509E33.5Very low32.9Very low182 Ų182143.3 Ų143.385%0.8571%0.713SS**Hα-helixtrans-80.7-18.2-177-67.9-160.6156.300114.3
510D37.6Very low33.2Very low122 Ų122140.6 Ų140.665%0.65270%0.699SS**Hα-helixtrans-80.9-32.3-174.5-90.5-24.3000114.2Y514D510-Y514 WeakPolarHBondContact O-CD2 3.33Å
511E36.6Very low33.8Very low121 Ų121138.1 Ų138.157%0.56569%0.687SS**Hα-helixtrans-71.8-30.9179.5-82.6-147.112400112.8R275 Y514 E515R275-E511 IonicContact NH2-OE1 3.9Å; R275-E511 PolarHBondContact NH2-OE1 3.49Å; R275-E511 IonicContact NH2-OE2 2.74Å; E511-Y514 PolarHBondContact O-N 2.83Å; E511-E515 PolarHBondContact O-N 3.29Å
512D31Very low34.3Very low128 Ų128137.9 Ų137.968%0.68468%0.677SS**Hα-helixtrans-71.1-34.4-178.1-91.7-1.6000112.9Y514 E516D512-Y514 VanDerWaalsContact C-N 3.26Å; D512-Y514 PolarHBondContact O-N 3.09Å; D512-E516 PolarHBondContact O-N 2.88Å
513E31.8Very low35.4Very low98 Ų98138 Ų13846%0.45867%0.668SS.*Hα-helixtrans-66.6-28.5174.5-172.5168.5-160.400111.5K535E513-K535 WeakPolarHBondContact OE1-CE 3.45Å; E513-K535 IonicContact OE1-NZ 3.99Å; E513-K535 PolarHBondContact OE1-NZ 2.89Å
514Y37.3Very low36.2Very low169 Ų169131.1 Ų131.166%0.66364%0.64SS**Hα-helixtrans-75.4-42.8178-73.9-60.8000114D510 E511 D512 E516 E517D510-Y514 WeakPolarHBondContact O-CD2 3.33Å; E511-Y514 PolarHBondContact O-N 2.83Å; D512-Y514 VanDerWaalsContact C-N 3.26Å; D512-Y514 PolarHBondContact O-N 3.09Å; Y514-E516 VanDerWaalsContact C-N 3.27Å; Y514-E516 PolarHBondContact O-N 3.39Å; Y514-E517 PolarHBondContact O-N 3.33Å
515E32.1Very low37.2Very low110 Ų110125.4 Ų125.451%0.51461%0.609SS.*Hα-helixtrans-72.5-22.4178.9-61.7-156.9171.600111.6R275 E511R275-E515 IonicContact CZ-OE1 2.93Å; R275-E515 IonicContact NH1-OE1 3.78Å; R275-E515 PolarHBondContact NH1-OE1 3.23Å; R275-E515 VanDerWaalsContact NH1-OE1 3.16Å; R275-E515 IonicContact NH2-OE1 3.92Å; E511-E515 PolarHBondContact O-N 3.29Å
516E27.6Very low37.9Very low135 Ų135119.6 Ų119.663%0.63159%0.589SS**Hα-helixtrans-72.4-21170.2-111.1-145-143.700114.5D512 Y514 K520D512-E516 PolarHBondContact O-N 2.88Å; Y514-E516 VanDerWaalsContact C-N 3.27Å; Y514-E516 PolarHBondContact O-N 3.39Å; E516-K520 PolarHBondContact O-NZ 3.42Å; E516-K520 IonicContact OE2-NZ 2.92Å; E516-K520 PolarHBondContact OE2-NZ 3.16Å
517E36.5Very low39.1Very low94 Ų94114.4 Ų114.444%0.43956%0.561SS.*Hα-helixtrans-82.8-29.4177.6-69.2-159.2149.200113.3Y514 E519 K520 K535Y514-E517 PolarHBondContact O-N 3.33Å; E517-E519 VanDerWaalsContact C-N 3.34Å; E517-E519 PolarHBondContact O-N 3.05Å; E517-K520 PolarHBondContact O-N 2.66Å; E517-K520 VanDerWaalsContact O-N 3.1Å; E517-K535 IonicContact OE1-NZ 3.61Å; E517-K535 PolarHBondContact OE1-NZ 3.18Å
518E36.1Very low40.3Very low76 Ų76112.8 Ų112.836%0.35555%0.553SS.*Hα-helixtrans-64.6-31176.2-74.6-159.1160.700113.6K520 I620 K624E518-K520 PolarHBondContact O-N 2.93Å; E518-I620 WeakPolarHBondContact OE1-CG2 3.42Å; E518-K624 WeakPolarHBondContact OE1-CE 3.46Å; E518-K624 IonicContact OE1-NZ 3.16Å; E518-K624 PolarHBondContact OE1-NZ 2.89Å; E518-K624 WeakPolarHBondContact OE2-CE 3.3Å; E518-K624 IonicContact OE2-NZ 3.92Å; E518-K624 PolarHBondContact OE2-NZ 3.32Å
519E32.2Very low42Very low156 Ų156112.8 Ų112.873%0.72954%0.542SS*.THydrogen-bonded Turntrans-72.8-8.2175.7-72.7-149.7146.300113.4E517E517-E519 VanDerWaalsContact C-N 3.34Å; E517-E519 PolarHBondContact O-N 3.05Å
520K33.7Very low43.9Very low112 Ų112105.5 Ų105.549%0.48751%0.51SS..THydrogen-bonded Turntrans-95-10-175.1-62.1-176.9179.182.70114.5E516 E517 E518 D522 D523E516-K520 PolarHBondContact O-NZ 3.42Å; E516-K520 IonicContact OE2-NZ 2.92Å; E516-K520 PolarHBondContact OE2-NZ 3.16Å; E517-K520 PolarHBondContact O-N 2.66Å; E517-K520 VanDerWaalsContact O-N 3.1Å; E518-K520 PolarHBondContact O-N 2.93Å; K520-D522 VanDerWaalsContact C-N 3.32Å; K520-D522 PolarHBondContact O-N 3.42Å; K520-D523 PolarHBondContact O-N 2.98Å
521E39.8Very low45.7Very low118 Ų118107.1 Ų107.155%0.55152%0.519SS*.THydrogen-bonded Turntrans-66.1-27.5179.9-61.8-174.8147.400114.1D523 R557E521-D523 VanDerWaalsContact C-N 3.33Å; E521-D523 PolarHBondContact O-N 2.86Å; E521-R557 PolarHBondContact O-NH1 3.46Å
522D41Very low47.9Very low109 Ų109104.4 Ų104.458%0.58351%0.511SS*.THydrogen-bonded Turntrans-81.4-9.2-174.8-142.123.2000112.6R398 K520R398-D522 IonicContact NH1-OD2 3.27Å; R398-D522 PolarHBondContact NH1-OD2 2.86Å; R398-D522 VanDerWaalsContact NH1-OD2 3.13Å; K520-D522 VanDerWaalsContact C-N 3.32Å; K520-D522 PolarHBondContact O-N 3.42Å
523D47.7Very low50.2Low123 Ų123102.7 Ų102.766%0.65851%0.506SS*.SBendtrans-88.6142-179.8-120.3-8.3000111.8K520 E521K520-D523 PolarHBondContact O-N 2.98Å; E521-D523 VanDerWaalsContact C-N 3.33Å; E521-D523 PolarHBondContact O-N 2.86Å
524P52.6Low52.2Low41 Ų41107.7 Ų107.727%0.26652%0.521SS..  trans-74.2140.6-172.530.7-34.2000112.1S526 D555 R557 N558P524-S526 PolarHBondContact O-N 3.15Å; P524-D555 WeakPolarHBondContact CA-OD2 3.32Å; P524-R557 HydrophobicContact CB-CB 4.4Å; P524-N558 HydrophobicContact CB-CB 3.95Å; P524-N558 HydrophobicContact CG-CB 4.34Å
525L54Low54Low46 Ų46102.9 Ų102.924%0.24150%0.504CS..  trans-52.8101.1-168.2-168.371.9000112.5E202 F203 V546 D555E202-L525 WeakPolarHBondContact OE2-CD1 3.39Å; F203-L525 HydrophobicContact CE2-CD2 4.2Å; F203-L525 HydrophobicContact CZ-CD2 3.87Å; L525-V546 HydrophobicContact CD2-CG1 3.9Å; L525-D555 PolarHBondContact N-OD2 3.37Å
526S51.9Low56.2Low64 Ų64100.1 Ų100.145%0.44849%0.491SS..  trans-100.3123.8-168.399.80000111.2P524 Q528P524-S526 PolarHBondContact O-N 3.15Å; S526-Q528 PolarHBondContact O-N 3.47Å; S526-Q528 WeakPolarHBondContact OG-CG 3.42Å; S526-Q528 PolarHBondContact OG-NE2 2.63Å
527L58.6Low58.7Low64 Ų6498.5 Ų98.534%0.33549%0.49SS..  trans-74.434.9173-87.780.7000112.5Y539 W550L527-Y539 WeakPolarHBondContact CG-OH 3.39Å; L527-W550 HydrophobicContact CD1-CB 4.1Å; L527-W550 HydrophobicContact CD1-CD2 3.75Å; L527-W550 HydrophobicContact CD1-CG 3.49Å; L527-W550 VanDerWaalsContact CD1-CG 3.49Å; L527-W550 HydrophobicContact CD2-CD2 4.5Å
528Q61.2Low60.6Low148 Ų14897.8 Ų97.869%0.69249%0.492SS*.PPolyproline II helixtrans-75.7135.1171.9-67-178.4102.300108.8S526 P530S526-Q528 PolarHBondContact O-N 3.47Å; S526-Q528 WeakPolarHBondContact OG-CG 3.42Å; S526-Q528 PolarHBondContact OG-NE2 2.63Å; Q528-P530 WeakPolarHBondContact O-CD 3.26Å
529W68.5Low62.6Low153 Ų15396.2 Ų96.258%0.5848%0.483SS*.PPolyproline II helixtrans-69.3123.9-180-177.3-91.4000109.6Q536 Y539W529-Q536 HydrophobicContact CZ2-CB 4.08Å; W529-Q536 HydrophobicContact CZ2-CG 3.88Å; W529-Q536 VanDerWaalsContact NE1-CD 3.27Å; W529-Y539 HydrophobicContact CE3-CD1 4.34Å; W529-Y539 HydrophobicContact CE3-CE1 4.2Å; W529-Y539 HydrophobicContact CZ3-CD1 4.3Å; W529-Y539 HydrophobicContact CZ3-CE1 4.36Å
530P73.9Confident65Low29 Ų2994 Ų9419%0.18848%0.476CS..PPolyproline II helixtrans-66.6146.5-176.6-20.932.7000112.6Q528 K535 Q536 Y539Q528-P530 WeakPolarHBondContact O-CD 3.26Å; P530-K535 HydrophobicContact CB-CB 3.83Å; P530-K535 HydrophobicContact CG-CB 4.47Å; P530-Q536 HydrophobicContact CB-CG 4.14Å; P530-Q536 WeakPolarHBondContact O-CG 3.34Å; P530-Q536 PolarHBondContact O-NE2 2.85Å; P530-Y539 HydrophobicContact CG-CG 4.14Å
531D75.8Confident67.3Low155 Ų15594 Ų9483%0.82948%0.476SS*.SBendtrans-76.1-37.9177.9-61.5-70000112.8Q536D531-Q536 PolarHBondContact O-NE2 3.39Å
532T82.1Confident69.4Low65 Ų6590.2 Ų90.240%0.39946%0.459SS..SBendtrans-79132.7-176-13.40000111.9R534 K535 Q536T532-R534 VanDerWaalsContact C-N 3.31Å; T532-R534 PolarHBondContact O-N 3.08Å; T532-K535 PolarHBondContact O-N 3.21Å; T532-Q536 WeakPolarHBondContact O-CG 3.29Å; T532-Q536 PolarHBondContact O-N 3.24Å
533P79.9Confident71.4Confident91 Ų9187.9 Ų87.959%0.59145%0.447SS*.Hα-helixtrans-62.1-32.4-178.422.5-33.6000113.9V537P533-V537 WeakPolarHBondContact O-CG2 3.45Å; P533-V537 PolarHBondContact O-N 3.36Å; P533-V537 VanDerWaalsContact O-N 3.11Å
534R74.6Confident73.3Confident203 Ų20385.8 Ų85.877%0.76644%0.44SS*.Hα-helixtrans-59-51.4170.4-73.1-177.7177.6169.5-1.1110.9T532 Q536 V537 T538T532-R534 VanDerWaalsContact C-N 3.31Å; T532-R534 PolarHBondContact O-N 3.08Å; R534-Q536 VanDerWaalsContact C-N 3.34Å; R534-Q536 PolarHBondContact O-N 2.9Å; R534-V537 PolarHBondContact O-N 2.8Å; R534-T538 PolarHBondContact O-N 3.14Å; R534-T538 PolarHBondContact O-OG1 3.22Å
535K73.8Confident74.8Confident68 Ų6884.1 Ų84.130%0.29643%0.428SS..Hα-helixtrans-68.7-31.6-176.8-55.3-170.1-171.4-1720111.3E513 E517 P530 T532 Y539E513-K535 WeakPolarHBondContact OE1-CE 3.45Å; E513-K535 IonicContact OE1-NZ 3.99Å; E513-K535 PolarHBondContact OE1-NZ 2.89Å; E517-K535 IonicContact OE1-NZ 3.61Å; E517-K535 PolarHBondContact OE1-NZ 3.18Å; P530-K535 HydrophobicContact CB-CB 3.83Å; P530-K535 HydrophobicContact CG-CB 4.47Å; T532-K535 PolarHBondContact O-N 3.21Å; K535-Y539 WeakPolarHBondContact O-CB 3.43Å; K535-Y539 PolarHBondContact O-N 2.99Å
536Q79.3Confident76.2Confident53 Ų5382.5 Ų82.525%0.24842%0.421CS..Hα-helixtrans-62.1-44168.9-69.1173.35.600113.3W529 P530 D531 T532 R534 Y539 L540W529-Q536 HydrophobicContact CZ2-CB 4.08Å; W529-Q536 HydrophobicContact CZ2-CG 3.88Å; W529-Q536 VanDerWaalsContact NE1-CD 3.27Å; P530-Q536 HydrophobicContact CB-CG 4.14Å; P530-Q536 WeakPolarHBondContact O-CG 3.34Å; P530-Q536 PolarHBondContact O-NE2 2.85Å; D531-Q536 PolarHBondContact O-NE2 3.39Å; T532-Q536 WeakPolarHBondContact O-CG 3.29Å; T532-Q536 PolarHBondContact O-N 3.24Å; R534-Q536 VanDerWaalsContact C-N 3.34Å; R534-Q536 PolarHBondContact O-N 2.9Å; Q536-Y539 PolarHBondContact O-N 3.2Å; Q536-L540 WeakPolarHBondContact O-CB 3.44Å; Q536-L540 PolarHBondContact O-N 3.22Å
537V78.8Confident77.8Confident100 Ų10084.3 Ų84.361%0.60642%0.42SS*.Hα-helixtrans-67.7-44.1178.6170.90000111P533 R534 Y539 L540 F541P533-V537 WeakPolarHBondContact O-CG2 3.45Å; P533-V537 PolarHBondContact O-N 3.36Å; P533-V537 VanDerWaalsContact O-N 3.11Å; R534-V537 PolarHBondContact O-N 2.8Å; V537-Y539 VanDerWaalsContact C-N 3.34Å; V537-Y539 PolarHBondContact O-N 3.15Å; V537-L540 PolarHBondContact O-N 3.39Å; V537-F541 PolarHBondContact O-N 2.95Å
538T75.9Confident79.2Confident80 Ų8083 Ų8349%0.49142%0.416SS..Hα-helixtrans-60.8-43.4174-55.20000111.4R534 F541 L542R534-T538 PolarHBondContact O-N 3.14Å; R534-T538 PolarHBondContact O-OG1 3.22Å; T538-F541 PolarHBondContact O-N 2.7Å; T538-L542 HydrophobicContact CG2-CD1 4.04Å; T538-L542 HydrophobicContact CG2-CG 4.45Å; T538-L542 WeakPolarHBondContact O-CG 3.28Å; T538-L542 PolarHBondContact O-N 2.9Å
539Y78.3Confident80.4Confident43 Ų4376 Ų7617%0.16938%0.383CS..Hα-helixtrans-61.2-45175.3178-101.5000112.1L527 W529 P530 K535 Q536 V537 F541 L542 L543L527-Y539 WeakPolarHBondContact CG-OH 3.39Å; W529-Y539 HydrophobicContact CE3-CD1 4.34Å; W529-Y539 HydrophobicContact CE3-CE1 4.2Å; W529-Y539 HydrophobicContact CZ3-CD1 4.3Å; W529-Y539 HydrophobicContact CZ3-CE1 4.36Å; P530-Y539 HydrophobicContact CG-CG 4.14Å; K535-Y539 WeakPolarHBondContact O-CB 3.43Å; K535-Y539 PolarHBondContact O-N 2.99Å; Q536-Y539 PolarHBondContact O-N 3.2Å; V537-Y539 VanDerWaalsContact C-N 3.34Å; V537-Y539 PolarHBondContact O-N 3.15Å; Y539-F541 VanDerWaalsContact C-N 3.28Å; Y539-F541 PolarHBondContact O-N 2.82Å; Y539-L542 PolarHBondContact O-N 3.35Å; Y539-L543 HydrophobicContact CE1-CD1 3.97Å; Y539-L543 VanDerWaalsContact O-CB 3.3Å; Y539-L543 WeakPolarHBondContact O-CB 3.36Å; Y539-L543 PolarHBondContact O-N 3.16Å
540L82.6Confident81.1Confident109 Ų10975 Ų7557%0.57138%0.379SS*.Hα-helixtrans-60.8-36.8176.1-171.473.2000112.2Q536 V537Q536-L540 WeakPolarHBondContact O-CB 3.44Å; Q536-L540 PolarHBondContact O-N 3.22Å; V537-L540 PolarHBondContact O-N 3.39Å
541F83.1Confident81.8Confident113 Ų11379.1 Ų79.150%0.49640%0.399SS..Hα-helixtrans-71-38.8176.9-179.1-105.7000112.8Y191 V537 T538 Y539 P544Y191-F541 HydrophobicContact CD2-CD1 4.41Å; Y191-F541 AromaticContact CD2-CE1 3.59Å; Y191-F541 HydrophobicContact CD2-CE1 3.59Å; Y191-F541 HydrophobicContact CD2-CE2 4.19Å; Y191-F541 AromaticContact CD2-CZ 3.45Å; Y191-F541 HydrophobicContact CD2-CZ 3.45Å; Y191-F541 VanDerWaalsContact CD2-CZ 3.45Å; Y191-F541 HydrophobicContact CE2-CD1 4.19Å; Y191-F541 AromaticContact CE2-CE1 3.8Å; Y191-F541 HydrophobicContact CE2-CE1 3.8Å; Y191-F541 HydrophobicContact CE2-CE2 4.21Å; Y191-F541 AromaticContact CE2-CZ 3.82Å; Y191-F541 HydrophobicContact CE2-CZ 3.82Å; Y191-F541 WeakPolarHBondContact CE2-O 3.44Å; Y191-F541 HydrophobicContact CG-CZ 4.5Å; Y191-F541 PolarHBondContact OH-O 3.41Å; V537-F541 PolarHBondContact O-N 2.95Å; T538-F541 PolarHBondContact O-N 2.7Å; Y539-F541 VanDerWaalsContact C-N 3.28Å; Y539-F541 PolarHBondContact O-N 2.82Å; F541-P544 VanDerWaalsContact O-CD 3.3Å; F541-P544 WeakPolarHBondContact O-CD 3.35Å
542L83.9Confident82.4Confident37 Ų3774.9 Ų74.919%0.19438%0.379CS..Hα-helixtrans-82.8-19.3178.4-66178.9000113.8V194 I198 T538 Y539 P544 I545 V546V194-L542 HydrophobicContact CG1-CD2 3.8Å; I198-L542 HydrophobicContact CD1-CD1 4.3Å; I198-L542 HydrophobicContact CD1-CD2 4.03Å; T538-L542 HydrophobicContact CG2-CD1 4.04Å; T538-L542 HydrophobicContact CG2-CG 4.45Å; T538-L542 WeakPolarHBondContact O-CG 3.28Å; T538-L542 PolarHBondContact O-N 2.9Å; Y539-L542 PolarHBondContact O-N 3.35Å; L542-P544 VanDerWaalsContact C-N 3.32Å; L542-I545 HydrophobicContact CD2-CD1 4.32Å; L542-I545 WeakPolarHBondContact O-CB 3.18Å; L542-I545 PolarHBondContact O-N 2.88Å; L542-V546 HydrophobicContact CB-CG2 4.16Å; L542-V546 PolarHBondContact O-N 2.95Å
543L83.6Confident82.7Confident61 Ų6172 Ų7232%0.31936%0.361SS..Hα-helixtrans-50.2-39.4-178-173.9150.9000114.4Y539 I545 V546 F547Y539-L543 HydrophobicContact CE1-CD1 3.97Å; Y539-L543 VanDerWaalsContact O-CB 3.3Å; Y539-L543 WeakPolarHBondContact O-CB 3.36Å; Y539-L543 PolarHBondContact O-N 3.16Å; L543-I545 PolarHBondContact O-N 3.16Å; L543-V546 PolarHBondContact O-N 3.29Å; L543-F547 HydrophobicContact CD2-CB 4.36Å; L543-F547 WeakPolarHBondContact O-CB 3.25Å; L543-F547 PolarHBondContact O-N 3.17Å
544P86.3Confident83Confident79 Ų7969.1 Ų69.151%0.51334%0.342SS..Hα-helixtrans-68-17.4177.8-16.931000114.6Y191 F541 L542 P548Y191-P544 WeakPolarHBondContact OH-CB 3.48Å; F541-P544 VanDerWaalsContact O-CD 3.3Å; F541-P544 WeakPolarHBondContact O-CD 3.35Å; L542-P544 VanDerWaalsContact C-N 3.32Å; P544-P548 WeakPolarHBondContact O-CD 3.46Å; P544-P548 VanDerWaalsContact O-CG 3.31Å; P544-P548 WeakPolarHBondContact O-CG 3.37Å
545I85.3Confident83.5Confident5 Ų560.3 Ų60.33%0.02631%0.311CS..Hα-helixtrans-90.4-51.4169.2-62.3152.9000109.8Y191 S195 L542 L543 F547 P548 L549 F579Y191-I545 HydrophobicContact CD1-CD1 4.2Å; Y191-I545 HydrophobicContact CD2-CD1 3.95Å; Y191-I545 HydrophobicContact CE1-CD1 3.7Å; Y191-I545 HydrophobicContact CE1-CG1 3.77Å; Y191-I545 HydrophobicContact CE2-CD1 3.44Å; Y191-I545 VanDerWaalsContact CE2-CD1 3.44Å; Y191-I545 HydrophobicContact CE2-CG1 4.26Å; Y191-I545 HydrophobicContact CG-CD1 4.31Å; Y191-I545 WeakPolarHBondContact OH-CG1 3.4Å; S195-I545 WeakPolarHBondContact OG-CD1 3.3Å; S195-I545 WeakPolarHBondContact OG-CG1 3.27Å; L542-I545 HydrophobicContact CD2-CD1 4.32Å; L542-I545 WeakPolarHBondContact O-CB 3.18Å; L542-I545 PolarHBondContact O-N 2.88Å; L543-I545 PolarHBondContact O-N 3.16Å; I545-F547 PolarHBondContact O-N 3.17Å; I545-P548 WeakPolarHBondContact O-CD 3.24Å; I545-L549 HydrophobicContact CG2-CD1 3.67Å; I545-L549 HydrophobicContact CG2-CG 4.36Å; I545-L549 WeakPolarHBondContact O-CG 3.38Å; I545-L549 PolarHBondContact O-N 2.97Å; I545-F579 HydrophobicContact CG2-CE2 4.28Å; I545-F579 HydrophobicContact CG2-CZ 4.04Å
546V82.8Confident84.1Confident13 Ų1357.2 Ų57.28%0.07930%0.298CS..Hα-helixtrans-63.2-39.4-173166.60000112.1L525 L542 L543 L549 W550L525-V546 HydrophobicContact CD2-CG1 3.9Å; L542-V546 HydrophobicContact CB-CG2 4.16Å; L542-V546 PolarHBondContact O-N 2.95Å; L543-V546 PolarHBondContact O-N 3.29Å; V546-L549 PolarHBondContact O-N 3.39Å; V546-W550 WeakPolarHBondContact O-CB 3.12Å; V546-W550 PolarHBondContact O-N 3.38Å
547F85.6Confident84Confident101 Ų10157.2 Ų57.244%0.44330%0.295SS..Hα-helixtrans-67-49-178.3176-95.1000113L543 I545 L549 L551L543-F547 HydrophobicContact CD2-CB 4.36Å; L543-F547 WeakPolarHBondContact O-CB 3.25Å; L543-F547 PolarHBondContact O-N 3.17Å; I545-F547 PolarHBondContact O-N 3.17Å; F547-L549 PolarHBondContact O-N 3.27Å; F547-L551 HydrophobicContact CE1-CD2 4.34Å; F547-L551 VanDerWaalsContact O-CB 3.24Å; F547-L551 WeakPolarHBondContact O-CB 3Å; F547-L551 PolarHBondContact O-N 3.14Å
548P87.4Confident84.1Confident37 Ų3755.2 Ų55.224%0.2428%0.281CS..Hα-helixtrans-58.9-40.6170.8-27.836000114.3P544 I545 L551 T552 W575P544-P548 WeakPolarHBondContact O-CD 3.46Å; P544-P548 VanDerWaalsContact O-CG 3.31Å; P544-P548 WeakPolarHBondContact O-CG 3.37Å; I545-P548 WeakPolarHBondContact O-CD 3.24Å; P548-L551 PolarHBondContact O-N 3.34Å; P548-T552 WeakPolarHBondContact O-CB 3.21Å; P548-T552 WeakPolarHBondContact O-CG2 3.48Å; P548-T552 PolarHBondContact O-N 3.32Å; P548-T552 PolarHBondContact O-OG1 2.61Å; P548-W575 HydrophobicContact CB-CH2 3.55Å; P548-W575 HydrophobicContact CB-CZ2 3.66Å
549L86.1Confident84.1Confident0 Ų058.1 Ų58.10%029%0.289CS..Hα-helixtrans-62.3-54.3176.5-70.5176.4000111.1I198 V199 F203 I545 V546 F547 L551 T552 V553 W575 F579I198-L549 HydrophobicContact CG2-CD1 4.07Å; V199-L549 HydrophobicContact CG2-CD1 3.58Å; V199-L549 HydrophobicContact CG2-CD2 3.57Å; V199-L549 HydrophobicContact CG2-CG 4.23Å; F203-L549 HydrophobicContact CE2-CB 4.36Å; F203-L549 HydrophobicContact CE2-CD1 4.24Å; F203-L549 HydrophobicContact CZ-CB 4.31Å; I545-L549 HydrophobicContact CG2-CD1 3.67Å; I545-L549 HydrophobicContact CG2-CG 4.36Å; I545-L549 WeakPolarHBondContact O-CG 3.38Å; I545-L549 PolarHBondContact O-N 2.97Å; V546-L549 PolarHBondContact O-N 3.39Å; F547-L549 PolarHBondContact O-N 3.27Å; L549-L551 PolarHBondContact O-N 2.89Å; L549-T552 PolarHBondContact O-N 3.4Å; L549-V553 HydrophobicContact CD2-CG2 4.44Å; L549-V553 WeakPolarHBondContact O-CB 3.18Å; L549-V553 PolarHBondContact O-N 2.99Å; L549-W575 HydrophobicContact CD2-CB 3.86Å; L549-W575 HydrophobicContact CD2-CD2 3.71Å; L549-W575 HydrophobicContact CD2-CE3 4.39Å; L549-W575 HydrophobicContact CD2-CG 3.44Å; L549-W575 VanDerWaalsContact CD2-CG 3.44Å; L549-F579 HydrophobicContact CD2-CE2 4.32Å
550W84.9Confident84.1Confident134 Ų13464.3 Ų64.351%0.50832%0.317SS..Hα-helixtrans-58.2-34.4178.6178.589.3000113.2L527 V546L527-W550 HydrophobicContact CD1-CB 4.1Å; L527-W550 HydrophobicContact CD1-CD2 3.75Å; L527-W550 HydrophobicContact CD1-CG 3.49Å; L527-W550 VanDerWaalsContact CD1-CG 3.49Å; L527-W550 HydrophobicContact CD2-CD2 4.5Å; V546-W550 WeakPolarHBondContact O-CB 3.12Å; V546-W550 PolarHBondContact O-N 3.38Å
551L87.3Confident83.9Confident114 Ų11460.5 Ų60.560%0.59730%0.3SS*.Hα-helixtrans-72.8-27177.6-177.360.8000113.5F547 P548 L549F547-L551 HydrophobicContact CE1-CD2 4.34Å; F547-L551 VanDerWaalsContact O-CB 3.24Å; F547-L551 WeakPolarHBondContact O-CB 3Å; F547-L551 PolarHBondContact O-N 3.14Å; P548-L551 PolarHBondContact O-N 3.34Å; L549-L551 PolarHBondContact O-N 2.89Å
552T88.8Confident83.9Confident67 Ų6758.7 Ų58.741%0.41129%0.289SS..Hα-helixtrans-116.3-24.3-169.558.50000114.8P548 L549 W575P548-T552 WeakPolarHBondContact O-CB 3.21Å; P548-T552 WeakPolarHBondContact O-CG2 3.48Å; P548-T552 PolarHBondContact O-N 3.32Å; P548-T552 PolarHBondContact O-OG1 2.61Å; L549-T552 PolarHBondContact O-N 3.4Å; T552-W575 PolarHBondContact OG1-NE1 2.83Å
553V88.8Confident84.1Confident3 Ų365.3 Ų65.32%0.01832%0.317CS..SBendtrans-119.6111.9-174.7-170.70000109.4F203 L549 D555 T568F203-V553 HydrophobicContact CB-CG1 4.31Å; F203-V553 HydrophobicContact CD1-CB 4.11Å; F203-V553 HydrophobicContact CD1-CG1 3.54Å; F203-V553 HydrophobicContact CE1-CB 4.23Å; F203-V553 HydrophobicContact CE1-CG1 4.15Å; F203-V553 HydrophobicContact CG-CG1 4.15Å; L549-V553 HydrophobicContact CD2-CG2 4.44Å; L549-V553 WeakPolarHBondContact O-CB 3.18Å; L549-V553 PolarHBondContact O-N 2.99Å; V553-D555 PolarHBondContact O-N 3.34Å; V553-T568 HydrophobicContact CG1-CG2 3.84Å
554P86.4Confident84.3Confident31 Ų3168 Ų6820%0.20133%0.326CS..  trans-75.9117.4179.428.2-31.2000111V556 F564 L567 T568P554-V556 PolarHBondContact O-N 3.5Å; P554-F564 HydrophobicContact CB-CB 4.48Å; P554-F564 HydrophobicContact CG-CB 3.9Å; P554-L567 HydrophobicContact CG-CD2 4.19Å; P554-L567 HydrophobicContact CG-CG 4.32Å; P554-T568 VanDerWaalsContact O-CG2 3.28Å; P554-T568 WeakPolarHBondContact O-CG2 3.5Å; P554-T568 PolarHBondContact O-OG1 3.5Å
555D85.6Confident84.5Confident19 Ų1966.4 Ų66.410%0.10231%0.311CS..  trans-56.6128.4175.5-174.1-33.1000111.3F203 P524 L525 V553 R557 S561F203-D555 HydrophobicContact CE1-CB 4.25Å; P524-D555 WeakPolarHBondContact CA-OD2 3.32Å; L525-D555 PolarHBondContact N-OD2 3.37Å; V553-D555 PolarHBondContact O-N 3.34Å; D555-R557 WeakPolarHBondContact OD1-CA 3.47Å; D555-R557 WeakPolarHBondContact OD1-CB 3.14Å; D555-R557 PolarHBondContact OD1-N 3.05Å; D555-R557 IonicContact OD1-NE 3.36Å; D555-R557 PolarHBondContact OD1-NE 3.41Å; D555-R557 IonicContact OD2-CZ 2.64Å; D555-R557 IonicContact OD2-NE 2.62Å; D555-R557 PolarHBondContact OD2-NE 2.93Å; D555-R557 VanDerWaalsContact OD2-NE 3.14Å; D555-R557 IonicContact OD2-NH2 3.13Å; D555-R557 PolarHBondContact OD2-NH2 3.49Å; D555-S561 WeakPolarHBondContact O-CB 3.32Å
556V84.9Confident84.8Confident3 Ų369.9 Ų69.92%0.01833%0.332CS..SBendtrans-88-17-178.4-73.10000115.1P206 A207 V210 P554 N558 R562 F565 T568P206-V556 HydrophobicContact CB-CG2 3.65Å; A207-V556 HydrophobicContact CB-CG2 4.49Å; V210-V556 HydrophobicContact CG2-CB 4.35Å; V210-V556 HydrophobicContact CG2-CG2 4.47Å; P554-V556 PolarHBondContact O-N 3.5Å; V556-N558 PolarHBondContact O-N 2.83Å; V556-R562 WeakPolarHBondContact O-CB 3.28Å; V556-F565 HydrophobicContact CG1-CB 3.85Å; V556-T568 HydrophobicContact CG1-CG2 3.86Å; V556-T568 VanDerWaalsContact CG1-OG1 3.25Å; V556-T568 WeakPolarHBondContact CG1-OG1 3.38Å; V556-T568 HydrophobicContact CG2-CG2 4.41Å
557R78.3Confident85.2Confident52 Ų5274 Ų7420%0.19635%0.353CS..SBendtrans-59.6-37.9173.1-63.2178.2-75-158.3-9.2109.9E202 E521 P524 D555 Q559E202-R557 VanDerWaalsContact CD-NH2 3.33Å; E202-R557 IonicContact OE1-CZ 3.05Å; E202-R557 IonicContact OE1-NH1 2.96Å; E202-R557 PolarHBondContact OE1-NH1 3.42Å; E202-R557 IonicContact OE1-NH2 3.48Å; E202-R557 IonicContact OE2-CZ 2.79Å; E202-R557 IonicContact OE2-NH1 3.01Å; E202-R557 PolarHBondContact OE2-NH1 3.44Å; E202-R557 VanDerWaalsContact OE2-NH1 3.15Å; E202-R557 IonicContact OE2-NH2 3.31Å; E202-R557 PolarHBondContact OE2-NH2 2.89Å; E521-R557 PolarHBondContact O-NH1 3.46Å; P524-R557 HydrophobicContact CB-CB 4.4Å; D555-R557 WeakPolarHBondContact OD1-CA 3.47Å; D555-R557 WeakPolarHBondContact OD1-CB 3.14Å; D555-R557 PolarHBondContact OD1-N 3.05Å; D555-R557 IonicContact OD1-NE 3.36Å; D555-R557 PolarHBondContact OD1-NE 3.41Å; D555-R557 IonicContact OD2-CZ 2.64Å; D555-R557 IonicContact OD2-NE 2.62Å; D555-R557 PolarHBondContact OD2-NE 2.93Å; D555-R557 VanDerWaalsContact OD2-NE 3.14Å; D555-R557 IonicContact OD2-NH2 3.13Å; D555-R557 PolarHBondContact OD2-NH2 3.49Å; R557-Q559 PolarHBondContact O-N 3.01Å
558N80.1Confident85.5Confident59 Ų5969.2 Ų69.232%0.31633%0.332SS..SBendtrans-62.6109.7170.2-171.4-29.5000111.2P524 V556 K560 S561 R562P524-N558 HydrophobicContact CB-CB 3.95Å; P524-N558 HydrophobicContact CG-CB 4.34Å; V556-N558 PolarHBondContact O-N 2.83Å; N558-K560 PolarHBondContact O-N 3.09Å; N558-K560 WeakPolarHBondContact OD1-CB 3.18Å; N558-K560 PolarHBondContact OD1-N 3.44Å; N558-K560 VanDerWaalsContact OD1-N 3.07Å; N558-S561 CarbonylContact O-C 3.58Å; N558-S561 WeakPolarHBondContact O-CA 3.39Å; N558-S561 PolarHBondContact O-N 2.81Å; N558-R562 PolarHBondContact O-N 3.34Å
559Q75.4Confident85.7Confident140 Ų14070 Ų7065%0.65433%0.332SS*.THydrogen-bonded Turntrans-53.5-24.2-178.5-170.178.8-68.600114.4R557R557-Q559 PolarHBondContact O-N 3.01Å
560K78.8Confident86.1Confident173 Ų17374.7 Ų74.775%0.75236%0.357SS*.THydrogen-bonded Turntrans-71.8-40173-64174.3-177.9169.10111.7N558N558-K560 PolarHBondContact O-N 3.09Å; N558-K560 WeakPolarHBondContact OD1-CB 3.18Å; N558-K560 PolarHBondContact OD1-N 3.44Å; N558-K560 VanDerWaalsContact OD1-N 3.07Å
561S78.9Confident86.5Confident30 Ų3068.8 Ų68.821%0.2134%0.338CS..THydrogen-bonded Turntrans-88.6-18.4-173.4-64.90000113.9D555 N558 K563 F564D555-S561 WeakPolarHBondContact O-CB 3.32Å; N558-S561 CarbonylContact O-C 3.58Å; N558-S561 WeakPolarHBondContact O-CA 3.39Å; N558-S561 PolarHBondContact O-N 2.81Å; S561-K563 PolarHBondContact O-N 3.34Å; S561-F564 WeakPolarHBondContact O-CB 3.41Å; S561-F564 PolarHBondContact O-N 2.88Å
562R83.1Confident86.8Confident74 Ų7463.4 Ų63.428%0.27931%0.309SS..G310 helixtrans-50.5-12.9173.8-164.5172.1175.8-167.65.8115.7V210 D213 V556 N558V210-R562 HydrophobicContact CG1-CG 3.9Å; V210-R562 HydrophobicContact CG2-CG 3.91Å; D213-R562 IonicContact OD2-CZ 2.71Å; D213-R562 IonicContact OD2-NH2 3.15Å; D213-R562 PolarHBondContact OD2-NH2 3.11Å; V556-R562 WeakPolarHBondContact O-CB 3.28Å; N558-R562 PolarHBondContact O-N 3.34Å
563K87.5Confident87.1Confident176 Ų17662.3 Ų62.377%0.76530%0.301SS*.G310 helixtrans-72-28.4169.6-66.3177.5-178173.20113.7S561 F565S561-K563 PolarHBondContact O-N 3.34Å; K563-F565 VanDerWaalsContact C-N 3.32Å
564F89.3Confident87.3Confident119 Ų11967 Ų6752%0.52232%0.323SS..G310 helixtrans-91.214.6-176.5-61.6-77.5000113.2P554 S561 V566 L567 T568P554-F564 HydrophobicContact CB-CB 4.48Å; P554-F564 HydrophobicContact CG-CB 3.9Å; S561-F564 WeakPolarHBondContact O-CB 3.41Å; S561-F564 PolarHBondContact O-N 2.88Å; F564-V566 PolarHBondContact O-N 3.25Å; F564-L567 HydrophobicContact CB-CB 4.48Å; F564-L567 WeakPolarHBondContact O-CA 3.36Å; F564-L567 WeakPolarHBondContact O-CB 3.39Å; F564-L567 PolarHBondContact O-N 2.89Å; F564-T568 PolarHBondContact O-N 2.88Å; F564-T568 PolarHBondContact O-OG1 3.1Å
565F89.6Confident87.7Confident45 Ų4567.3 Ų67.320%0.19732%0.32CS..Hα-helixtrans-51.3-29.7-174.572.8-86000115.1V210 I211 V556 K563 T568 F569V210-F565 HydrophobicContact CB-CB 4.22Å; V210-F565 HydrophobicContact CG1-CB 3.76Å; V210-F565 HydrophobicContact CG1-CD1 4.14Å; V210-F565 HydrophobicContact CG1-CD2 4.37Å; V210-F565 HydrophobicContact CG1-CG 3.83Å; I211-F565 HydrophobicContact CD1-CD2 4.45Å; I211-F565 HydrophobicContact CG1-CD2 3.65Å; I211-F565 HydrophobicContact CG1-CE2 3.76Å; V556-F565 HydrophobicContact CG1-CB 3.85Å; K563-F565 VanDerWaalsContact C-N 3.32Å; F565-T568 PolarHBondContact O-N 3.04Å; F565-F569 WeakPolarHBondContact O-CB 3.49Å; F565-F569 PolarHBondContact O-N 2.95Å
566V91.6Very high88.2Confident78 Ų7866.4 Ų66.447%0.47332%0.316SS..Hα-helixtrans-69.1-38.2174.2-175.70000111.8F564 L570F564-V566 PolarHBondContact O-N 3.25Å; V566-L570 HydrophobicContact CG1-CD1 4.1Å; V566-L570 WeakPolarHBondContact O-CB 3.05Å; V566-L570 VanDerWaalsContact O-CG 3.28Å; V566-L570 WeakPolarHBondContact O-CG 3.48Å; V566-L570 PolarHBondContact O-N 3.44Å
567L91.6Very high88.6Confident99 Ų9967.7 Ų67.752%0.51833%0.327SS..Hα-helixtrans-71.2-38174.6-178.261.7000110.9P554 F564 G571P554-L567 HydrophobicContact CG-CD2 4.19Å; P554-L567 HydrophobicContact CG-CG 4.32Å; F564-L567 HydrophobicContact CB-CB 4.48Å; F564-L567 WeakPolarHBondContact O-CA 3.36Å; F564-L567 WeakPolarHBondContact O-CB 3.39Å; F564-L567 PolarHBondContact O-N 2.89Å; L567-G571 WeakPolarHBondContact O-CA 3.47Å; L567-G571 PolarHBondContact O-N 3.42Å
568T91.9Very high89.4Confident0 Ų068.4 Ų68.40%033%0.334CS..Hα-helixtrans-58.7-53.4171.4-44.40000110.8F203 A207 V553 P554 V556 F564 F565 L570 G571 S572F203-T568 HydrophobicContact CB-CG2 4.45Å; F203-T568 HydrophobicContact CD1-CG2 4.47Å; A207-T568 HydrophobicContact CB-CG2 4.16Å; V553-T568 HydrophobicContact CG1-CG2 3.84Å; P554-T568 VanDerWaalsContact O-CG2 3.28Å; P554-T568 WeakPolarHBondContact O-CG2 3.5Å; P554-T568 PolarHBondContact O-OG1 3.5Å; V556-T568 HydrophobicContact CG1-CG2 3.86Å; V556-T568 VanDerWaalsContact CG1-OG1 3.25Å; V556-T568 WeakPolarHBondContact CG1-OG1 3.38Å; V556-T568 HydrophobicContact CG2-CG2 4.41Å; F564-T568 PolarHBondContact O-N 2.88Å; F564-T568 PolarHBondContact O-OG1 3.1Å; F565-T568 PolarHBondContact O-N 3.04Å; T568-L570 PolarHBondContact O-N 3.04Å; T568-G571 PolarHBondContact O-N 2.74Å; T568-S572 PolarHBondContact O-N 3.34Å; T568-S572 PolarHBondContact O-OG 2.93Å; T568-S572 VanDerWaalsContact O-OG 3.11Å
569F91.9Very high90.1Very high53 Ų5366.1 Ų66.123%0.23232%0.321CS..Hα-helixtrans-58.3-46-179.9179-101.8000113F204 A207 L208 I211 F565 S572 I573F204-F569 AromaticContact CD2-CD2 3.91Å; F204-F569 HydrophobicContact CD2-CD2 3.91Å; F204-F569 HydrophobicContact CD2-CE2 4.13Å; F204-F569 AromaticContact CE2-CD2 3.53Å; F204-F569 HydrophobicContact CE2-CD2 3.53Å; F204-F569 AromaticContact CE2-CE2 3.31Å; F204-F569 HydrophobicContact CE2-CE2 3.31Å; F204-F569 HydrophobicContact CE2-CG 4.46Å; F204-F569 HydrophobicContact CE2-CZ 4.11Å; F204-F569 AromaticContact CZ-CE2 3.94Å; F204-F569 HydrophobicContact CZ-CE2 3.94Å; A207-F569 HydrophobicContact CB-CB 4.08Å; L208-F569 HydrophobicContact CD2-CE2 3.79Å; L208-F569 HydrophobicContact CG-CD2 4.38Å; L208-F569 HydrophobicContact CG-CE2 4.06Å; I211-F569 HydrophobicContact CD1-CB 4.28Å; I211-F569 HydrophobicContact CD1-CD1 4.36Å; I211-F569 HydrophobicContact CD1-CD2 3.57Å; I211-F569 HydrophobicContact CD1-CE2 3.9Å; I211-F569 HydrophobicContact CD1-CG 3.83Å; I211-F569 HydrophobicContact CD1-CZ 4.43Å; F565-F569 WeakPolarHBondContact O-CB 3.49Å; F565-F569 PolarHBondContact O-N 2.95Å; F569-S572 PolarHBondContact O-OG 2.85Å; F569-S572 VanDerWaalsContact O-OG 3.09Å; F569-I573 HydrophobicContact CD1-CD1 3.88Å; F569-I573 HydrophobicContact CE1-CD1 3.53Å; F569-I573 HydrophobicContact CE2-CD1 4.21Å; F569-I573 HydrophobicContact CG-CD1 4.36Å; F569-I573 HydrophobicContact CZ-CD1 3.72Å; F569-I573 WeakPolarHBondContact O-CB 3.42Å; F569-I573 WeakPolarHBondContact O-CD1 3.25Å; F569-I573 VanDerWaalsContact O-CG1 3.23Å; F569-I573 WeakPolarHBondContact O-CG1 3.26Å; F569-I573 PolarHBondContact O-N 3.27Å; F569-I573 VanDerWaalsContact O-N 3.12Å
570L93.4Very high90.9Very high100 Ų10059.5 Ų59.552%0.52429%0.29SS..Hα-helixtrans-72.7-32.9177.3-66.9174.4000112.5V566 T568 M574V566-L570 HydrophobicContact CG1-CD1 4.1Å; V566-L570 WeakPolarHBondContact O-CB 3.05Å; V566-L570 VanDerWaalsContact O-CG 3.28Å; V566-L570 WeakPolarHBondContact O-CG 3.48Å; V566-L570 PolarHBondContact O-N 3.44Å; T568-L570 PolarHBondContact O-N 3.04Å; L570-M574 PolarHBondContact O-N 2.79Å; L570-M574 VanDerWaalsContact O-N 3.1Å
571G93.5Very high91.7Very high10 Ų1054.1 Ų54.110%0.10327%0.265CS..Hα-helixtrans-69-44.8176.400000112.6L567 T568 M574 W575L567-G571 WeakPolarHBondContact O-CA 3.47Å; L567-G571 PolarHBondContact O-N 3.42Å; T568-G571 PolarHBondContact O-N 2.74Å; G571-M574 WeakPolarHBondContact O-CB 3.24Å; G571-M574 PolarHBondContact O-N 3.32Å; G571-W575 VanDerWaalsContact O-CD1 3.27Å; G571-W575 PolarHBondContact O-N 3.24Å
572S93.9Very high92.4Very high0 Ų054.7 Ų54.70%027%0.266CS..Hα-helixtrans-65.5-40.8174.961.20000111.3F204 T568 F569 M574 W575 I576F204-S572 VanDerWaalsContact CD2-OG 3.3Å; F204-S572 WeakPolarHBondContact CD2-OG 3.34Å; T568-S572 PolarHBondContact O-N 3.34Å; T568-S572 PolarHBondContact O-OG 2.93Å; T568-S572 VanDerWaalsContact O-OG 3.11Å; F569-S572 PolarHBondContact O-OG 2.85Å; F569-S572 VanDerWaalsContact O-OG 3.09Å; S572-M574 VanDerWaalsContact C-N 3.29Å; S572-M574 PolarHBondContact O-N 3.27Å; S572-W575 PolarHBondContact O-N 3.1Å; S572-W575 VanDerWaalsContact O-N 3.15Å; S572-I576 VanDerWaalsContact O-CG1 3.27Å; S572-I576 WeakPolarHBondContact O-CG1 3.12Å; S572-I576 PolarHBondContact O-N 3.31Å
573I93.8Very high92.9Very high45 Ų4551.2 Ų51.223%0.23125%0.253CS..Hα-helixtrans-54-45.2171.2-80.8169.4000111.8F204 F237 F569 A577F204-I573 HydrophobicContact CD2-CG1 4.27Å; F204-I573 HydrophobicContact CE2-CD1 3.9Å; F204-I573 HydrophobicContact CE2-CG1 3.6Å; F204-I573 HydrophobicContact CZ-CG1 4.23Å; F237-I573 HydrophobicContact CE2-CG2 4.3Å; F237-I573 HydrophobicContact CZ-CG2 3.85Å; F569-I573 HydrophobicContact CD1-CD1 3.88Å; F569-I573 HydrophobicContact CE1-CD1 3.53Å; F569-I573 HydrophobicContact CE2-CD1 4.21Å; F569-I573 HydrophobicContact CG-CD1 4.36Å; F569-I573 HydrophobicContact CZ-CD1 3.72Å; F569-I573 WeakPolarHBondContact O-CB 3.42Å; F569-I573 WeakPolarHBondContact O-CD1 3.25Å; F569-I573 VanDerWaalsContact O-CG1 3.23Å; F569-I573 WeakPolarHBondContact O-CG1 3.26Å; F569-I573 PolarHBondContact O-N 3.27Å; F569-I573 VanDerWaalsContact O-N 3.12Å; I573-A577 PolarHBondContact O-N 3.01Å; I573-A577 VanDerWaalsContact O-N 3.1Å
574M94.4Very high93.1Very high100 Ų10043 Ų4349%0.49322%0.217SC..Hα-helixtrans-64.6-41.1177.8-176.4-175.370.900112.1L570 G571 S572 A577 I578L570-M574 PolarHBondContact O-N 2.79Å; L570-M574 VanDerWaalsContact O-N 3.1Å; G571-M574 WeakPolarHBondContact O-CB 3.24Å; G571-M574 PolarHBondContact O-N 3.32Å; S572-M574 VanDerWaalsContact C-N 3.29Å; S572-M574 PolarHBondContact O-N 3.27Å; M574-A577 PolarHBondContact O-N 3.17Å; M574-I578 HydrophobicContact CG-CD1 4.16Å; M574-I578 VanDerWaalsContact O-CG1 3.31Å; M574-I578 WeakPolarHBondContact O-CG1 3.27Å; M574-I578 PolarHBondContact O-N 3.15Å; M574-I578 VanDerWaalsContact O-N 3.11Å
575W95.1Very high93.3Very high38 Ų3839.1 Ų39.114%0.14420%0.199CC..Hα-helixtrans-71.9-36.6178.3-81.6109.1000113.6V199 P548 L549 T552 G571 S572 A577 I578 F579V199-W575 HydrophobicContact CG1-CB 4.17Å; V199-W575 HydrophobicContact CG2-CB 4.21Å; P548-W575 HydrophobicContact CB-CH2 3.55Å; P548-W575 HydrophobicContact CB-CZ2 3.66Å; L549-W575 HydrophobicContact CD2-CB 3.86Å; L549-W575 HydrophobicContact CD2-CD2 3.71Å; L549-W575 HydrophobicContact CD2-CE3 4.39Å; L549-W575 HydrophobicContact CD2-CG 3.44Å; L549-W575 VanDerWaalsContact CD2-CG 3.44Å; T552-W575 PolarHBondContact OG1-NE1 2.83Å; G571-W575 VanDerWaalsContact O-CD1 3.27Å; G571-W575 PolarHBondContact O-N 3.24Å; S572-W575 PolarHBondContact O-N 3.1Å; S572-W575 VanDerWaalsContact O-N 3.15Å; W575-A577 VanDerWaalsContact C-N 3.33Å; W575-A577 PolarHBondContact O-N 3.37Å; W575-I578 HydrophobicContact CD2-CD1 4.49Å; W575-I578 HydrophobicContact CE3-CB 4.42Å; W575-I578 HydrophobicContact CE3-CD1 4.21Å; W575-I578 HydrophobicContact CE3-CG2 4.31Å; W575-I578 HydrophobicContact CZ3-CG2 4.35Å; W575-I578 PolarHBondContact O-N 3.26Å; W575-F579 HydrophobicContact CB-CE2 4.3Å; W575-F579 HydrophobicContact CD2-CE2 4.46Å; W575-F579 HydrophobicContact CD2-CZ 4.35Å; W575-F579 HydrophobicContact CE3-CD1 4.5Å; W575-F579 AromaticContact CE3-CE1 3.79Å; W575-F579 HydrophobicContact CE3-CE1 3.79Å; W575-F579 AromaticContact CE3-CE2 3.82Å; W575-F579 HydrophobicContact CE3-CE2 3.82Å; W575-F579 AromaticContact CE3-CZ 3.39Å; W575-F579 HydrophobicContact CE3-CZ 3.39Å; W575-F579 AromaticContact CZ3-CE1 3.85Å; W575-F579 HydrophobicContact CZ3-CE1 3.85Å; W575-F579 AromaticContact CZ3-CZ 3.71Å; W575-F579 HydrophobicContact CZ3-CZ 3.71Å; W575-F579 WeakPolarHBondContact O-CD2 3.43Å; W575-F579 WeakPolarHBondContact O-CG 3.43Å; W575-F579 PolarHBondContact O-N 2.95Å
576I94.6Very high93.4Very high0 Ų039.8 Ų39.80%020%0.201CC..Hα-helixtrans-59.2-47.2171.4-66.1161.8000109.2L196 V199 F204 A233 F237 S572 I578 F579 S580L196-I576 HydrophobicContact CD2-CB 4.34Å; L196-I576 HydrophobicContact CD2-CG2 3.89Å; V199-I576 HydrophobicContact CB-CG1 4.18Å; V199-I576 HydrophobicContact CG1-CD1 4.13Å; V199-I576 HydrophobicContact CG1-CG1 3.65Å; F204-I576 HydrophobicContact CB-CD1 4.21Å; F204-I576 HydrophobicContact CD1-CD1 4.11Å; F204-I576 HydrophobicContact CG-CD1 4.07Å; A233-I576 HydrophobicContact CB-CD1 3.97Å; A233-I576 HydrophobicContact CB-CG2 4.46Å; F237-I576 HydrophobicContact CB-CG2 4.13Å; F237-I576 HydrophobicContact CD2-CB 4.2Å; F237-I576 HydrophobicContact CD2-CG2 3.5Å; F237-I576 HydrophobicContact CE2-CG2 4.33Å; F237-I576 HydrophobicContact CG-CG2 4.05Å; S572-I576 VanDerWaalsContact O-CG1 3.27Å; S572-I576 WeakPolarHBondContact O-CG1 3.12Å; S572-I576 PolarHBondContact O-N 3.31Å; I576-I578 VanDerWaalsContact C-N 3.32Å; I576-I578 PolarHBondContact O-N 3.04Å; I576-F579 PolarHBondContact O-N 3.32Å; I576-S580 VanDerWaalsContact O-CB 3.3Å; I576-S580 WeakPolarHBondContact O-CB 3.36Å; I576-S580 PolarHBondContact O-N 2.62Å; I576-S580 PolarHBondContact O-OG 2.84Å
577A94.1Very high93.5Very high30 Ų3036.2 Ų36.225%0.24818%0.179CC..Hα-helixtrans-58.5-40.5176.500000113.3F237 I573 M574 W575 Y581F237-A577 HydrophobicContact CD1-CB 3.59Å; F237-A577 HydrophobicContact CE1-CB 3.69Å; F237-A577 HydrophobicContact CG-CB 4.28Å; F237-A577 HydrophobicContact CZ-CB 4.43Å; I573-A577 PolarHBondContact O-N 3.01Å; I573-A577 VanDerWaalsContact O-N 3.1Å; M574-A577 PolarHBondContact O-N 3.17Å; W575-A577 VanDerWaalsContact C-N 3.33Å; W575-A577 PolarHBondContact O-N 3.37Å; A577-Y581 WeakPolarHBondContact O-CB 3.44Å; A577-Y581 PolarHBondContact O-N 3.3Å
578I94.3Very high93.4Very high68 Ų6832.5 Ų32.535%0.34916%0.159SC..Hα-helixtrans-66.8-47.8177.1-69.5163.6000111.2M574 W575 I576 Y581 L582M574-I578 HydrophobicContact CG-CD1 4.16Å; M574-I578 VanDerWaalsContact O-CG1 3.31Å; M574-I578 WeakPolarHBondContact O-CG1 3.27Å; M574-I578 PolarHBondContact O-N 3.15Å; M574-I578 VanDerWaalsContact O-N 3.11Å; W575-I578 HydrophobicContact CD2-CD1 4.49Å; W575-I578 HydrophobicContact CE3-CB 4.42Å; W575-I578 HydrophobicContact CE3-CD1 4.21Å; W575-I578 HydrophobicContact CE3-CG2 4.31Å; W575-I578 HydrophobicContact CZ3-CG2 4.35Å; W575-I578 PolarHBondContact O-N 3.26Å; I576-I578 VanDerWaalsContact C-N 3.32Å; I576-I578 PolarHBondContact O-N 3.04Å; I578-Y581 PolarHBondContact O-N 2.85Å; I578-L582 HydrophobicContact CG2-CD1 4.39Å; I578-L582 WeakPolarHBondContact O-CG 3.37Å; I578-L582 PolarHBondContact O-N 3.4Å; I578-L582 VanDerWaalsContact O-N 3.15Å
579F94.9Very high93.4Very high11 Ų1133 Ų335%0.04816%0.161CC..Hα-helixtrans-71.8-37.5-178.5-63.3-38.4000112.2M192 L196 V199 I545 L549 W575 I576 Y581 L582 M583M192-F579 HydrophobicContact CE-CD1 4.19Å; M192-F579 HydrophobicContact CE-CE1 4.47Å; M192-F579 HydrophobicContact SD-CB 4.24Å; M192-F579 HydrophobicContact SD-CD1 3.69Å; M192-F579 HydrophobicContact SD-CG 4.32Å; L196-F579 HydrophobicContact CD2-CB 3.76Å; L196-F579 HydrophobicContact CG-CB 3.8Å; V199-F579 HydrophobicContact CG2-CD2 3.97Å; V199-F579 HydrophobicContact CG2-CE2 3.65Å; I545-F579 HydrophobicContact CG2-CE2 4.28Å; I545-F579 HydrophobicContact CG2-CZ 4.04Å; L549-F579 HydrophobicContact CD2-CE2 4.32Å; W575-F579 HydrophobicContact CB-CE2 4.3Å; W575-F579 HydrophobicContact CD2-CE2 4.46Å; W575-F579 HydrophobicContact CD2-CZ 4.35Å; W575-F579 HydrophobicContact CE3-CD1 4.5Å; W575-F579 AromaticContact CE3-CE1 3.79Å; W575-F579 HydrophobicContact CE3-CE1 3.79Å; W575-F579 AromaticContact CE3-CE2 3.82Å; W575-F579 HydrophobicContact CE3-CE2 3.82Å; W575-F579 AromaticContact CE3-CZ 3.39Å; W575-F579 HydrophobicContact CE3-CZ 3.39Å; W575-F579 AromaticContact CZ3-CE1 3.85Å; W575-F579 HydrophobicContact CZ3-CE1 3.85Å; W575-F579 AromaticContact CZ3-CZ 3.71Å; W575-F579 HydrophobicContact CZ3-CZ 3.71Å; W575-F579 WeakPolarHBondContact O-CD2 3.43Å; W575-F579 WeakPolarHBondContact O-CG 3.43Å; W575-F579 PolarHBondContact O-N 2.95Å; I576-F579 PolarHBondContact O-N 3.32Å; F579-Y581 VanDerWaalsContact C-N 3.34Å; F579-Y581 PolarHBondContact O-N 3.27Å; F579-L582 PolarHBondContact O-N 3.21Å; F579-M583 WeakPolarHBondContact O-CB 3.33Å; F579-M583 PolarHBondContact O-N 2.85Å
580S93.8Very high93.4Very high0 Ų030.7 Ų30.70%015%0.151CC..Hα-helixtrans-61-40.5170.5-67.60000111.8I576 M583 V584I576-S580 VanDerWaalsContact O-CB 3.3Å; I576-S580 WeakPolarHBondContact O-CB 3.36Å; I576-S580 PolarHBondContact O-N 2.62Å; I576-S580 PolarHBondContact O-OG 2.84Å; S580-M583 PolarHBondContact O-N 3.32Å; S580-V584 VanDerWaalsContact O-CG2 3.22Å; S580-V584 WeakPolarHBondContact O-CG2 3.4Å; S580-V584 PolarHBondContact O-N 2.97Å
581Y94Very high93.2Very high61 Ų6126 Ų2624%0.23913%0.128CC..Hα-helixtrans-59.9-49.9175169.7-105.5000112.4Y167 P168 I241 I245 A577 I578 F579 V584 W585Y167-Y581 HydrophobicContact CD1-CE2 4.41Å; Y167-Y581 HydrophobicContact CE1-CE2 4.45Å; P168-Y581 VanDerWaalsContact CD-OH 3.25Å; P168-Y581 WeakPolarHBondContact CD-OH 3.37Å; I241-Y581 HydrophobicContact CD1-CD2 4.2Å; I241-Y581 HydrophobicContact CG2-CD2 4.42Å; I245-Y581 HydrophobicContact CD1-CD2 3.73Å; I245-Y581 HydrophobicContact CD1-CE2 3.78Å; I245-Y581 HydrophobicContact CG2-CE2 4.24Å; A577-Y581 WeakPolarHBondContact O-CB 3.44Å; A577-Y581 PolarHBondContact O-N 3.3Å; I578-Y581 PolarHBondContact O-N 2.85Å; F579-Y581 VanDerWaalsContact C-N 3.34Å; F579-Y581 PolarHBondContact O-N 3.27Å; Y581-V584 PolarHBondContact O-N 3.37Å; Y581-W585 WeakPolarHBondContact O-CB 3.44Å; Y581-W585 PolarHBondContact O-N 3.24Å
582L93.8Very high93Very high42 Ų4227.7 Ų27.722%0.2213%0.133CC..Hα-helixtrans-65-39.8179-66174.6000112.1M192 I578 F579 W585 W586M192-L582 HydrophobicContact CG-CB 4.06Å; M192-L582 HydrophobicContact SD-CB 3.68Å; M192-L582 HydrophobicContact SD-CD1 3.83Å; M192-L582 HydrophobicContact SD-CG 4.41Å; I578-L582 HydrophobicContact CG2-CD1 4.39Å; I578-L582 WeakPolarHBondContact O-CG 3.37Å; I578-L582 PolarHBondContact O-N 3.4Å; I578-L582 VanDerWaalsContact O-N 3.15Å; F579-L582 PolarHBondContact O-N 3.21Å; L582-W585 HydrophobicContact CD2-CE3 4.01Å; L582-W585 HydrophobicContact CD2-CZ3 4.24Å; L582-W585 PolarHBondContact O-N 3.06Å; L582-W586 WeakPolarHBondContact O-CB 3.37Å; L582-W586 PolarHBondContact O-N 3.29Å
583M93.6Very high92.8Very high0 Ų028.2 Ų28.20%014%0.136CC..Hα-helixtrans-58.5-52.2175.1-177.6-168.678.800111.8M192 F193 L196 T238 F579 S580 W586 A587 L606 T610M192-M583 HydrophobicContact CB-CB 3.91Å; M192-M583 HydrophobicContact CB-CG 4.44Å; F193-M583 HydrophobicContact CD1-CG 4.28Å; F193-M583 HydrophobicContact CD1-SD 3.52Å; F193-M583 VanDerWaalsContact CD1-SD 3.52Å; F193-M583 HydrophobicContact CE1-CE 4.38Å; F193-M583 HydrophobicContact CE1-CG 3.9Å; F193-M583 HydrophobicContact CE1-SD 3.2Å; F193-M583 WeakPolarHBondContact CE1-SD 3.21Å; F193-M583 HydrophobicContact CZ-CG 4.16Å; F193-M583 HydrophobicContact CZ-SD 4.02Å; L196-M583 HydrophobicContact CD1-CB 4.43Å; L196-M583 HydrophobicContact CD1-CE 4.38Å; L196-M583 HydrophobicContact CD1-CG 4.48Å; L196-M583 HydrophobicContact CD1-SD 3.38Å; L196-M583 WeakPolarHBondContact CD1-SD 3.49Å; T238-M583 HydrophobicContact CG2-CE 4.31Å; T238-M583 WeakPolarHBondContact OG1-CE 3.42Å; F579-M583 WeakPolarHBondContact O-CB 3.33Å; F579-M583 PolarHBondContact O-N 2.85Å; S580-M583 PolarHBondContact O-N 3.32Å; M583-W586 PolarHBondContact O-N 2.89Å; M583-A587 VanDerWaalsContact O-CB 3.29Å; M583-A587 WeakPolarHBondContact O-CB 3.43Å; M583-A587 PolarHBondContact O-N 3.31Å; M583-L606 HydrophobicContact CE-CD2 4.09Å; M583-L606 HydrophobicContact CE-CG 4.29Å; M583-T610 HydrophobicContact CE-CG2 3.83Å; M583-T610 HydrophobicContact SD-CG2 4.03Å
584V92.8Very high92.5Very high3 Ų331 Ų312%0.01815%0.15CC..Hα-helixtrans-66.9-40.8-179.5-177.20000110.8Y167 T238 I241 V250 S580 Y581 A587 H588 L606Y167-V584 VanDerWaalsContact OH-CG1 3.25Å; Y167-V584 WeakPolarHBondContact OH-CG1 3.24Å; T238-V584 HydrophobicContact CG2-CG2 3.82Å; I241-V584 HydrophobicContact CG2-CB 4.07Å; I241-V584 HydrophobicContact CG2-CG1 4.2Å; I241-V584 HydrophobicContact CG2-CG2 4.26Å; V250-V584 HydrophobicContact CG1-CG1 4.35Å; V250-V584 HydrophobicContact CG2-CG1 4.42Å; S580-V584 VanDerWaalsContact O-CG2 3.22Å; S580-V584 WeakPolarHBondContact O-CG2 3.4Å; S580-V584 PolarHBondContact O-N 2.97Å; Y581-V584 PolarHBondContact O-N 3.37Å; V584-A587 PolarHBondContact O-N 2.9Å; V584-H588 PolarHBondContact O-N 3.49Å; V584-L606 HydrophobicContact CB-CD2 4.47Å; V584-L606 HydrophobicContact CG1-CD2 4.46Å; V584-L606 HydrophobicContact CG2-CD2 3.8Å
585W92.5Very high92.1Very high38 Ų3829.1 Ų29.114%0.14416%0.156CC..Hα-helixtrans-59.8-48.5176.5177.334.8000112Y167 P168 Y581 L582 H588 Q589Y167-W585 VanDerWaalsContact CB-CD1 3.5Å; Y167-W585 HydrophobicContact CD1-CB 3.68Å; Y167-W585 AromaticContact CD1-CD1 3.48Å; Y167-W585 VanDerWaalsContact CD1-CD1 3.48Å; Y167-W585 AromaticContact CD1-CG 3.75Å; Y167-W585 HydrophobicContact CD1-CG 3.75Å; Y167-W585 HydrophobicContact CE1-CB 3.86Å; Y167-W585 HydrophobicContact CE1-CG 4.42Å; Y167-W585 AromaticContact CG-CD1 3.55Å; Y167-W585 HydrophobicContact CG-CG 4.28Å; P168-W585 HydrophobicContact CB-CH2 4.18Å; P168-W585 HydrophobicContact CB-CZ2 3.78Å; P168-W585 HydrophobicContact CG-CH2 4.26Å; P168-W585 HydrophobicContact CG-CZ2 4.06Å; P168-W585 PolarHBondContact O-NE1 2.9Å; Y581-W585 WeakPolarHBondContact O-CB 3.44Å; Y581-W585 PolarHBondContact O-N 3.24Å; L582-W585 HydrophobicContact CD2-CE3 4.01Å; L582-W585 HydrophobicContact CD2-CZ3 4.24Å; L582-W585 PolarHBondContact O-N 3.06Å; W585-H588 WeakPolarHBondContact O-CB 3.4Å; W585-H588 PolarHBondContact O-N 2.96Å; W585-Q589 WeakPolarHBondContact O-CG 3.49Å; W585-Q589 PolarHBondContact O-N 2.98Å
586W92.8Very high91.8Very high60 Ų6030 Ų3023%0.22716%0.163CC..Hα-helixtrans-68.4-34.1177.3-71.4-18.6000112.7H185 G188 M189 M192 L582 M583 Q589 V590H185-W586 AromaticContact CD2-CD1 3.87Å; G188-W586 VanDerWaalsContact O-CZ3 3.29Å; G188-W586 WeakPolarHBondContact O-CZ3 3.45Å; M189-W586 HydrophobicContact CB-CB 4.46Å; M192-W586 HydrophobicContact CE-CZ3 4.27Å; M192-W586 HydrophobicContact CG-CE3 3.78Å; M192-W586 HydrophobicContact CG-CZ3 3.64Å; M192-W586 HydrophobicContact SD-CZ3 4.32Å; L582-W586 WeakPolarHBondContact O-CB 3.37Å; L582-W586 PolarHBondContact O-N 3.29Å; M583-W586 PolarHBondContact O-N 2.89Å; W586-Q589 PolarHBondContact O-N 3.46Å; W586-V590 WeakPolarHBondContact O-CG2 3.21Å; W586-V590 PolarHBondContact O-N 2.96Å
587A92.3Very high91.4Very high2 Ų231 Ų312%0.01717%0.171CC..Hα-helixtrans-64.6-37172.200000112.8M189 M583 V584 V590 G591 M601 L606M189-A587 HydrophobicContact SD-CB 3.67Å; M583-A587 VanDerWaalsContact O-CB 3.29Å; M583-A587 WeakPolarHBondContact O-CB 3.43Å; M583-A587 PolarHBondContact O-N 3.31Å; V584-A587 PolarHBondContact O-N 2.9Å; A587-V590 PolarHBondContact O-N 3.45Å; A587-G591 PolarHBondContact O-N 3.47Å; A587-M601 HydrophobicContact CB-CE 4.06Å; A587-L606 HydrophobicContact CB-CD1 3.6Å; A587-L606 HydrophobicContact CB-CG 4.32Å
588H90.4Very high91Very high22 Ų2230.5 Ų30.510%0.10216%0.163CC..Hα-helixtrans-61.8-46.1170169.399.2000111.3Y167 V584 W585 V590 G591 E592 E598Y167-H588 HydrophobicContact CD2-CB 4.46Å; Y167-H588 HydrophobicContact CE2-CB 4.14Å; V584-H588 PolarHBondContact O-N 3.49Å; W585-H588 WeakPolarHBondContact O-CB 3.4Å; W585-H588 PolarHBondContact O-N 2.96Å; H588-V590 VanDerWaalsContact C-N 3.28Å; H588-V590 PolarHBondContact O-N 2.85Å; H588-G591 PolarHBondContact O-N 3.06Å; H588-E592 WeakPolarHBondContact O-CB 3.46Å; H588-E592 PolarHBondContact O-N 3.49Å; H588-E598 IonicContact CE1-OE1 3.3Å; H588-E598 PolarHBondContact CE1-OE1 3.35Å; H588-E598 VanDerWaalsContact CE1-OE1 3.3Å; H588-E598 IonicContact CG-OE1 3.68Å; H588-E598 IonicContact ND1-OE1 2.7Å; H588-E598 PolarHBondContact ND1-OE1 3.15Å
589Q91.3Very high90.6Very high10 Ų1029.4 Ų29.45%0.04716%0.157CC..Hα-helixtrans-60.1-37.3176.4-60.2-50.9-4000112.3D170 R177 W585 W586 T593D170-Q589 HydrophobicContact CB-CG 4.42Å; R177-Q589 PolarHBondContact NH1-O 2.98Å; R177-Q589 VanDerWaalsContact NH1-O 3.1Å; W585-Q589 WeakPolarHBondContact O-CG 3.49Å; W585-Q589 PolarHBondContact O-N 2.98Å; W586-Q589 PolarHBondContact O-N 3.46Å; Q589-T593 WeakPolarHBondContact O-CB 3.39Å; Q589-T593 PolarHBondContact O-N 3.3Å; Q589-T593 PolarHBondContact O-OG1 3.11Å
590V91.6Very high90.3Very high4 Ų429.5 Ų29.52%0.02416%0.157CC..Hα-helixtrans-68.5-47.1174.6172.50000111V182 H185 I186 W586 A587 H588 T593 I594V182-V590 HydrophobicContact CG2-CG2 4.07Å; H185-V590 HydrophobicContact CB-CG2 3.75Å; I186-V590 HydrophobicContact CG1-CG1 4.11Å; I186-V590 HydrophobicContact CG1-CG2 3.72Å; W586-V590 WeakPolarHBondContact O-CG2 3.21Å; W586-V590 PolarHBondContact O-N 2.96Å; A587-V590 PolarHBondContact O-N 3.45Å; H588-V590 VanDerWaalsContact C-N 3.28Å; H588-V590 PolarHBondContact O-N 2.85Å; V590-T593 WeakPolarHBondContact O-CB 3.17Å; V590-T593 PolarHBondContact O-N 3.36Å; V590-I594 HydrophobicContact CG1-CD1 3.64Å; V590-I594 HydrophobicContact CG1-CG1 4.48Å; V590-I594 WeakPolarHBondContact O-CG1 3.4Å; V590-I594 PolarHBondContact O-N 3.14Å
591G90.1Very high90.1Very high3 Ų329.7 Ų29.73%0.03116%0.158CC..Hα-helixtrans-57.6-51.4177.500000113.2A587 H588 T593 I594 G595 I596A587-G591 PolarHBondContact O-N 3.47Å; H588-G591 PolarHBondContact O-N 3.06Å; G591-T593 VanDerWaalsContact C-N 3.25Å; G591-T593 PolarHBondContact O-N 2.89Å; G591-I594 PolarHBondContact O-N 3.5Å; G591-G595 PolarHBondContact O-N 3.45Å; G591-I596 CarbonylContact C-O 3.53Å; G591-I596 PolarHBondContact O-N 3.1Å
592E88.5Confident90Very high45 Ų4526.8 Ų26.821%0.2115%0.147CC..Hα-helixtrans-58.6-36.5176.4-169.6-167.1-135.900111.8K164 I174 R177 R178 H588K164-E592 IonicContact NZ-OE1 3.92Å; K164-E592 PolarHBondContact NZ-OE1 2.81Å; I174-E592 HydrophobicContact CD1-CG 4.28Å; R177-E592 IonicContact CZ-OE2 3.64Å; R177-E592 VanDerWaalsContact CZ-OE2 3.27Å; R177-E592 IonicContact NH1-OE2 2.74Å; R177-E592 PolarHBondContact NH1-OE2 2.82Å; R177-E592 IonicContact NH2-OE2 2.64Å; R177-E592 PolarHBondContact NH2-OE2 3.06Å; R178-E592 PolarHBondContact NH2-O 3.42Å; H588-E592 WeakPolarHBondContact O-CB 3.46Å; H588-E592 PolarHBondContact O-N 3.49Å
593T89.6Confident89.8Confident10 Ų1025.6 Ų25.66%0.06114%0.141CC..Hα-helixtrans-66.9-48.7178.9-54.80000111.6R177 R178 V182 Q589 V590 G591R177-T593 HydrophobicContact CB-CG2 3.81Å; R177-T593 WeakPolarHBondContact CB-OG1 3.24Å; R177-T593 PolarHBondContact NH1-OG1 3.29Å; R178-T593 HydrophobicContact CB-CG2 4.46Å; R178-T593 HydrophobicContact CG-CG2 3.61Å; R178-T593 PolarHBondContact NE-O 3.33Å; R178-T593 PolarHBondContact NH2-O 3.24Å; V182-T593 HydrophobicContact CB-CG2 3.93Å; V182-T593 HydrophobicContact CG1-CG2 4.27Å; V182-T593 HydrophobicContact CG2-CG2 3.89Å; Q589-T593 WeakPolarHBondContact O-CB 3.39Å; Q589-T593 PolarHBondContact O-N 3.3Å; Q589-T593 PolarHBondContact O-OG1 3.11Å; V590-T593 WeakPolarHBondContact O-CB 3.17Å; V590-T593 PolarHBondContact O-N 3.36Å; G591-T593 VanDerWaalsContact C-N 3.25Å; G591-T593 PolarHBondContact O-N 2.89Å
594I89.1Confident89.7Confident104 Ų10427 Ų2753%0.53315%0.149SC..Hα-helixtrans-78.7-28.6-174.9-58.9171.8000111.5V590 G591 I596V590-I594 HydrophobicContact CG1-CD1 3.64Å; V590-I594 HydrophobicContact CG1-CG1 4.48Å; V590-I594 WeakPolarHBondContact O-CG1 3.4Å; V590-I594 PolarHBondContact O-N 3.14Å; G591-I594 PolarHBondContact O-N 3.5Å; I594-I596 HydrophobicContact CB-CD1 4.32Å; I594-I596 HydrophobicContact CB-CG1 4.33Å; I594-I596 HydrophobicContact CG2-CD1 3.68Å; I594-I596 HydrophobicContact CG2-CG1 3.85Å
595G86.3Confident89.7Confident60 Ų6030 Ų3062%0.61916%0.164SC*.THydrogen-bonded Turntrans91.829.6-173.700000113.7G591G591-G595 PolarHBondContact O-N 3.45Å
596I87.2Confident89.8Confident56 Ų5628.1 Ų28.129%0.28716%0.157SC..  trans-102.9138.4177.8-62.5174.8000108.7G591 I594 I600 M601G591-I596 CarbonylContact C-O 3.53Å; G591-I596 PolarHBondContact O-N 3.1Å; I594-I596 HydrophobicContact CB-CD1 4.32Å; I594-I596 HydrophobicContact CB-CG1 4.33Å; I594-I596 HydrophobicContact CG2-CD1 3.68Å; I594-I596 HydrophobicContact CG2-CG1 3.85Å; I596-I600 HydrophobicContact CG2-CB 3.64Å; I596-I600 HydrophobicContact CG2-CD1 4.49Å; I596-I600 HydrophobicContact CG2-CG2 3.5Å; I596-M601 HydrophobicContact CB-CG 4.46Å; I596-M601 HydrophobicContact CB-SD 4.49Å; I596-M601 HydrophobicContact CG2-CG 3.98Å; I596-M601 HydrophobicContact CG2-SD 4.16Å
597S86.6Confident89.9Confident23 Ų2325.3 Ų25.316%0.16115%0.147CC..  trans-68.8158.3179.597.10000112.6E599 I600 M601S597-E599 VanDerWaalsContact C-N 3.28Å; S597-E599 WeakPolarHBondContact CB-OE2 3.33Å; S597-E599 PolarHBondContact O-N 3.12Å; S597-E599 PolarHBondContact OG-N 3.02Å; S597-E599 PolarHBondContact OG-OE2 2.83Å; S597-I600 PolarHBondContact O-N 3.04Å; S597-I600 PolarHBondContact OG-N 2.78Å; S597-M601 WeakPolarHBondContact O-CG 3.46Å; S597-M601 PolarHBondContact O-N 2.68Å
598E85.5Confident89.9Confident19 Ų1926.3 Ų26.39%0.08916%0.155CC..Hα-helixtrans-65.6-31.8177.2-67.2-175.6-160.100112.4S248 V250 H588 G602S248-E598 WeakPolarHBondContact CB-OE2 3.24Å; S248-E598 PolarHBondContact OG-OE2 3.1Å; V250-E598 HydrophobicContact CB-CB 4.18Å; H588-E598 IonicContact CE1-OE1 3.3Å; H588-E598 PolarHBondContact CE1-OE1 3.35Å; H588-E598 VanDerWaalsContact CE1-OE1 3.3Å; H588-E598 IonicContact CG-OE1 3.68Å; H588-E598 IonicContact ND1-OE1 2.7Å; H588-E598 PolarHBondContact ND1-OE1 3.15Å; E598-G602 PolarHBondContact O-N 2.81Å
599E86.2Confident89.9Confident45 Ų4525.5 Ų25.521%0.2115%0.153CC..Hα-helixtrans-64.6-44.4174-57.287.5173.600111.6N249 S597 G602 L603 E717N249-E599 HydrophobicContact CB-CG 3.55Å; S597-E599 VanDerWaalsContact C-N 3.28Å; S597-E599 WeakPolarHBondContact CB-OE2 3.33Å; S597-E599 PolarHBondContact O-N 3.12Å; S597-E599 PolarHBondContact OG-N 3.02Å; S597-E599 PolarHBondContact OG-OE2 2.83Å; E599-G602 PolarHBondContact O-N 3.29Å; E599-L603 VanDerWaalsContact O-CB 3.26Å; E599-L603 WeakPolarHBondContact O-CB 3.47Å; E599-L603 PolarHBondContact O-N 3.17Å; E599-E717 HydrophobicContact CB-CG 4.34Å
600I88.4Confident89.9Confident13 Ų1325.3 Ų25.37%0.06715%0.152CC..Hα-helixtrans-67.2-44.2177.4-62.3169.2000110.2I596 S597 G602 L603 T604 V714 E717I596-I600 HydrophobicContact CG2-CB 3.64Å; I596-I600 HydrophobicContact CG2-CD1 4.49Å; I596-I600 HydrophobicContact CG2-CG2 3.5Å; S597-I600 PolarHBondContact O-N 3.04Å; S597-I600 PolarHBondContact OG-N 2.78Å; I600-G602 VanDerWaalsContact C-N 3.3Å; I600-G602 PolarHBondContact O-N 2.97Å; I600-L603 PolarHBondContact O-N 3.05Å; I600-T604 HydrophobicContact CG2-CG2 4.3Å; I600-T604 WeakPolarHBondContact O-CB 3.35Å; I600-T604 WeakPolarHBondContact O-CG2 3.47Å; I600-T604 PolarHBondContact O-N 2.81Å; I600-T604 PolarHBondContact O-OG1 3.01Å; I600-V714 HydrophobicContact CG2-CG2 4.02Å; I600-E717 HydrophobicContact CD1-CB 4.09Å; I600-E717 HydrophobicContact CD1-CG 4.37Å; I600-E717 HydrophobicContact CG1-CB 3.9Å; I600-E717 HydrophobicContact CG1-CG 4.05Å
601M90.6Very high89.9Confident4 Ų425.1 Ų25.12%0.0215%0.151CC..Hα-helixtrans-56.5-46.4173.7-78-59.4-57.500111.2M189 A587 I596 S597 I605 L606M189-M601 HydrophobicContact SD-CE 4.47Å; A587-M601 HydrophobicContact CB-CE 4.06Å; I596-M601 HydrophobicContact CB-CG 4.46Å; I596-M601 HydrophobicContact CB-SD 4.49Å; I596-M601 HydrophobicContact CG2-CG 3.98Å; I596-M601 HydrophobicContact CG2-SD 4.16Å; S597-M601 WeakPolarHBondContact O-CG 3.46Å; S597-M601 PolarHBondContact O-N 2.68Å; M601-I605 HydrophobicContact CE-CB 3.99Å; M601-I605 HydrophobicContact CE-CD1 3.88Å; M601-I605 HydrophobicContact CE-CG1 4.49Å; M601-I605 HydrophobicContact CE-CG2 4.11Å; M601-I605 PolarHBondContact O-N 3.37Å; M601-I605 HydrophobicContact SD-CD1 4.01Å; M601-L606 HydrophobicContact CB-CD1 4.1Å; M601-L606 HydrophobicContact CE-CD1 4.36Å; M601-L606 VanDerWaalsContact O-CD1 3.24Å; M601-L606 WeakPolarHBondContact O-CD1 3.46Å; M601-L606 PolarHBondContact O-N 3.25Å; M601-L606 VanDerWaalsContact O-N 3.09Å
602G91.6Very high89.8Confident0 Ų028.6 Ų28.60%017%0.168CC..Iπ-helixtrans-56.4-59.2175.500000112.1T254 E598 E599 I600 T604 A607T254-G602 WeakPolarHBondContact CA-O 3.45Å; E598-G602 PolarHBondContact O-N 2.81Å; E599-G602 PolarHBondContact O-N 3.29Å; I600-G602 VanDerWaalsContact C-N 3.3Å; I600-G602 PolarHBondContact O-N 2.97Å; G602-T604 PolarHBondContact O-N 3.46Å; G602-T604 VanDerWaalsContact O-N 3.16Å; G602-A607 WeakPolarHBondContact O-CB 3.46Å; G602-A607 PolarHBondContact O-N 2.89Å
603L89.7Confident89.5Confident17 Ų1727 Ų279%0.08916%0.161CC..Iπ-helixtrans-63.5-19.3-175.8-175.8145.8000114.3G253 V256 G257 E599 I600 A672 F709G253-L603 VanDerWaalsContact O-CA 3.25Å; G253-L603 WeakPolarHBondContact O-CA 3.47Å; V256-L603 HydrophobicContact CG1-CD1 4.48Å; G257-L603 WeakPolarHBondContact CA-O 3.48Å; E599-L603 VanDerWaalsContact O-CB 3.26Å; E599-L603 WeakPolarHBondContact O-CB 3.47Å; E599-L603 PolarHBondContact O-N 3.17Å; I600-L603 PolarHBondContact O-N 3.05Å; L603-A672 HydrophobicContact CD1-CB 4.13Å; L603-F709 HydrophobicContact CD1-CZ 4.36Å; L603-F709 HydrophobicContact CD2-CE1 4.06Å
604T91.8Very high89.3Confident28 Ų2827 Ų2717%0.17216%0.162CC..Iπ-helixtrans-112.7-71.7-176.662.50000113.1I600 G602 A608 L710 V714I600-T604 HydrophobicContact CG2-CG2 4.3Å; I600-T604 WeakPolarHBondContact O-CB 3.35Å; I600-T604 WeakPolarHBondContact O-CG2 3.47Å; I600-T604 PolarHBondContact O-N 2.81Å; I600-T604 PolarHBondContact O-OG1 3.01Å; G602-T604 PolarHBondContact O-N 3.46Å; G602-T604 VanDerWaalsContact O-N 3.16Å; T604-A608 VanDerWaalsContact O-CB 3.25Å; T604-A608 WeakPolarHBondContact O-CB 3.38Å; T604-A608 PolarHBondContact O-N 3.47Å; T604-A608 VanDerWaalsContact O-N 3.07Å; T604-L710 HydrophobicContact CG2-CD2 3.96Å; T604-V714 HydrophobicContact CG2-CG2 4.41Å
605I92.7Very high89.2Confident66 Ų6623 Ų2334%0.33814%0.141SC..Iπ-helixtrans-84.3-41.6-166.5-69.5171.4000111.9M189 F193 M601 G609M189-I605 HydrophobicContact CE-CG2 3.68Å; M189-I605 HydrophobicContact SD-CG2 4.05Å; F193-I605 HydrophobicContact CE2-CG2 4.43Å; F193-I605 HydrophobicContact CZ-CG2 4.47Å; F193-I605 WeakPolarHBondContact CZ-O 3.5Å; M601-I605 HydrophobicContact CE-CB 3.99Å; M601-I605 HydrophobicContact CE-CD1 3.88Å; M601-I605 HydrophobicContact CE-CG1 4.49Å; M601-I605 HydrophobicContact CE-CG2 4.11Å; M601-I605 PolarHBondContact O-N 3.37Å; M601-I605 HydrophobicContact SD-CD1 4.01Å; I605-G609 PolarHBondContact O-N 3.44Å
606L94.1Very high89.2Confident0 Ų024.6 Ų24.60%013%0.134CC..Iπ-helixtrans-66.2-51.8173.8-73.476.2000109.5T238 V250 T254 M583 V584 A587 M601 A608 G609 T610T238-L606 HydrophobicContact CG2-CD2 3.77Å; V250-L606 HydrophobicContact CG2-CD2 3.97Å; T254-L606 HydrophobicContact CG2-CB 4.07Å; M583-L606 HydrophobicContact CE-CD2 4.09Å; M583-L606 HydrophobicContact CE-CG 4.29Å; V584-L606 HydrophobicContact CB-CD2 4.47Å; V584-L606 HydrophobicContact CG1-CD2 4.46Å; V584-L606 HydrophobicContact CG2-CD2 3.8Å; A587-L606 HydrophobicContact CB-CD1 3.6Å; A587-L606 HydrophobicContact CB-CG 4.32Å; M601-L606 HydrophobicContact CB-CD1 4.1Å; M601-L606 HydrophobicContact CE-CD1 4.36Å; M601-L606 VanDerWaalsContact O-CD1 3.24Å; M601-L606 WeakPolarHBondContact O-CD1 3.46Å; M601-L606 PolarHBondContact O-N 3.25Å; M601-L606 VanDerWaalsContact O-N 3.09Å; L606-A608 PolarHBondContact O-N 2.89Å; L606-G609 PolarHBondContact O-N 2.71Å; L606-G609 VanDerWaalsContact O-N 3.07Å; L606-T610 PolarHBondContact O-N 3.09Å; L606-T610 PolarHBondContact O-OG1 3.41Å
607A93.7Very high88.9Confident1 Ų124.5 Ų24.51%0.00814%0.136CC..Hα-helixtrans-49.6-51.8177.700000114.1G257 S258 G602 T610 S611G257-A607 VanDerWaalsContact C-CB 3.5Å; S258-A607 VanDerWaalsContact N-CB 3.33Å; S258-A607 VanDerWaalsContact OG-CA 3.32Å; S258-A607 WeakPolarHBondContact OG-CA 3.29Å; S258-A607 PolarHBondContact OG-O 3.3Å; S258-A607 VanDerWaalsContact OG-O 3.09Å; G602-A607 WeakPolarHBondContact O-CB 3.46Å; G602-A607 PolarHBondContact O-N 2.89Å; A607-T610 PolarHBondContact O-OG1 3.31Å; A607-S611 PolarHBondContact O-N 3.42Å; A607-S611 PolarHBondContact O-OG 2.62Å; A607-S611 VanDerWaalsContact O-OG 3.1Å
608A92.4Very high89Confident22 Ų2223.5 Ų23.518%0.18213%0.13CC..Hα-helixtrans-67.4-39.8178.100000111.6F261 T604 L606 I612F261-A608 HydrophobicContact CD2-CB 4Å; F261-A608 HydrophobicContact CE2-CB 3.85Å; F261-A608 HydrophobicContact CZ-CB 4.41Å; T604-A608 VanDerWaalsContact O-CB 3.25Å; T604-A608 WeakPolarHBondContact O-CB 3.38Å; T604-A608 PolarHBondContact O-N 3.47Å; T604-A608 VanDerWaalsContact O-N 3.07Å; L606-A608 PolarHBondContact O-N 2.89Å; A608-I612 WeakPolarHBondContact O-CG1 3.23Å; A608-I612 PolarHBondContact O-N 2.88Å
609G91.4Very high89.1Confident6 Ų623.6 Ų23.66%0.06213%0.131CC..Hα-helixtrans-72.9-35.5-175.100000114.6F193 I605 L606F193-G609 WeakPolarHBondContact CD1-O 3.22Å; F193-G609 VanDerWaalsContact CE1-C 3.46Å; F193-G609 VanDerWaalsContact CE1-CA 3.43Å; I605-G609 PolarHBondContact O-N 3.44Å; L606-G609 PolarHBondContact O-N 2.71Å; L606-G609 VanDerWaalsContact O-N 3.07Å
610T91.9Very high89Confident5 Ų523.3 Ų23.33%0.03113%0.131CC..Hα-helixtrans-70.5-33174.554.40000112.2F193 P234 E235 S258 M583 L606 A607 P613F193-T610 HydrophobicContact CE1-CG2 4.31Å; P234-T610 HydrophobicContact CB-CG2 3.76Å; E235-T610 WeakPolarHBondContact OE1-CB 3.39Å; E235-T610 PolarHBondContact OE1-OG1 3.48Å; S258-T610 PolarHBondContact OG-OG1 2.85Å; M583-T610 HydrophobicContact CE-CG2 3.83Å; M583-T610 HydrophobicContact SD-CG2 4.03Å; L606-T610 PolarHBondContact O-N 3.09Å; L606-T610 PolarHBondContact O-OG1 3.41Å; A607-T610 PolarHBondContact O-OG1 3.31Å; T610-P613 WeakPolarHBondContact O-CD 3.37Å
611S91.7Very high88.8Confident1 Ų124.1 Ų24.11%0.00714%0.136CC..THydrogen-bonded Turntrans-92.810.1-178.2-440000114.6E235 S258 A607 L615E235-S611 PolarHBondContact OE1-N 3.02Å; E235-S611 PolarHBondContact OE1-OG 3.12Å; S258-S611 VanDerWaalsContact CB-OG 3.28Å; S258-S611 WeakPolarHBondContact CB-OG 3.3Å; S258-S611 PolarHBondContact OG-OG 3.06Å; S258-S611 VanDerWaalsContact OG-OG 3.09Å; A607-S611 PolarHBondContact O-N 3.42Å; A607-S611 PolarHBondContact O-OG 2.62Å; A607-S611 VanDerWaalsContact O-OG 3.1Å; S611-L615 PolarHBondContact O-N 3.06Å
612I87.5Confident88.6Confident76 Ų7624 Ų2439%0.3914%0.136SC..Hα-helixtrans-61.7-40.1170.4-84166.3000113.5A608 L615 I616A608-I612 WeakPolarHBondContact O-CG1 3.23Å; A608-I612 PolarHBondContact O-N 2.88Å; I612-L615 WeakPolarHBondContact O-CB 3.42Å; I612-L615 PolarHBondContact O-N 2.98Å; I612-I616 HydrophobicContact CG2-CD1 3.76Å; I612-I616 HydrophobicContact CG2-CG1 4.47Å; I612-I616 WeakPolarHBondContact O-CG1 3.25Å; I612-I616 PolarHBondContact O-N 3.47Å
613P81.6Confident88.4Confident10 Ų1029.1 Ų29.17%0.06516%0.155CC..Hα-helixtrans-61.2-46.6173.6-25.637.6000112.6A197 T610 L615 I616 T617A197-P613 HydrophobicContact CB-CG 3.69Å; T610-P613 WeakPolarHBondContact O-CD 3.37Å; P613-L615 VanDerWaalsContact C-N 3.25Å; P613-L615 PolarHBondContact O-N 2.95Å; P613-I616 PolarHBondContact O-N 3.42Å; P613-T617 WeakPolarHBondContact O-CG2 3.45Å; P613-T617 PolarHBondContact O-N 3.13Å; P613-T617 PolarHBondContact O-OG1 3.04Å
614D84.8Confident88Confident12 Ų1233.5 Ų33.56%0.06417%0.174CC..Hα-helixtrans-57.9-38174-99.433.2000111.5G231 T617 S618 S637G231-D614 VanDerWaalsContact CA-OD1 3.26Å; G231-D614 WeakPolarHBondContact CA-OD1 3.43Å; D614-T617 PolarHBondContact O-OG1 2.91Å; D614-S618 WeakPolarHBondContact O-CB 3.28Å; D614-S618 PolarHBondContact O-N 3.42Å; D614-S618 VanDerWaalsContact O-N 3.08Å; D614-S618 PolarHBondContact O-OG 2.88Å; D614-S637 WeakPolarHBondContact OD2-CB 3.39Å; D614-S637 PolarHBondContact OD2-OG 3.39Å
615L88.8Confident87.6Confident20 Ų2034.3 Ų34.311%0.10519%0.187CC..Hα-helixtrans-63.1-53.5173.1168.959.5000112.2F261 F265 V266 M269 S611 I612 P613 S618 V619F261-L615 HydrophobicContact CE1-CB 4.28Å; F261-L615 HydrophobicContact CE1-CD2 4.49Å; F261-L615 HydrophobicContact CZ-CD2 4.1Å; F265-L615 HydrophobicContact CD1-CD1 4.49Å; F265-L615 HydrophobicContact CD1-CD2 4.17Å; F265-L615 HydrophobicContact CE1-CD2 3.85Å; V266-L615 HydrophobicContact CB-CD1 4.37Å; V266-L615 HydrophobicContact CG1-CD1 4.29Å; V266-L615 HydrophobicContact CG2-CB 3.89Å; V266-L615 HydrophobicContact CG2-CD1 4.11Å; M269-L615 HydrophobicContact CB-CD1 3.51Å; M269-L615 HydrophobicContact CE-CD1 4.41Å; M269-L615 HydrophobicContact CG-CD1 3.54Å; S611-L615 PolarHBondContact O-N 3.06Å; I612-L615 WeakPolarHBondContact O-CB 3.42Å; I612-L615 PolarHBondContact O-N 2.98Å; P613-L615 VanDerWaalsContact C-N 3.25Å; P613-L615 PolarHBondContact O-N 2.95Å; L615-S618 PolarHBondContact O-N 2.75Å; L615-V619 HydrophobicContact CD1-CG2 3.78Å; L615-V619 WeakPolarHBondContact O-CB 3.34Å; L615-V619 VanDerWaalsContact O-CG2 3.31Å; L615-V619 WeakPolarHBondContact O-CG2 3.21Å; L615-V619 PolarHBondContact O-N 3.35Å
616I85.1Confident87Confident92 Ų9235.8 Ų35.847%0.47220%0.195SC..Hα-helixtrans-61.6-52.3-175.1-69.4165.2000110I612 P613 S618 V619 I620I612-I616 HydrophobicContact CG2-CD1 3.76Å; I612-I616 HydrophobicContact CG2-CG1 4.47Å; I612-I616 WeakPolarHBondContact O-CG1 3.25Å; I612-I616 PolarHBondContact O-N 3.47Å; P613-I616 PolarHBondContact O-N 3.42Å; I616-S618 PolarHBondContact O-N 3.42Å; I616-V619 PolarHBondContact O-N 3.1Å; I616-I620 HydrophobicContact CG2-CD1 3.79Å; I616-I620 WeakPolarHBondContact O-CG1 3.39Å; I616-I620 PolarHBondContact O-N 3.01Å
617T82.1Confident86.4Confident54 Ų5436 Ų3633%0.33120%0.197SC..Hα-helixtrans-60.1-43.4179.255.30000111.9P613 D614 V619 I620 V621P613-T617 WeakPolarHBondContact O-CG2 3.45Å; P613-T617 PolarHBondContact O-N 3.13Å; P613-T617 PolarHBondContact O-OG1 3.04Å; D614-T617 PolarHBondContact O-OG1 2.91Å; T617-V619 PolarHBondContact O-N 3.22Å; T617-I620 PolarHBondContact O-N 3.4Å; T617-V621 WeakPolarHBondContact O-CB 3.21Å; T617-V621 VanDerWaalsContact O-CG2 3.29Å; T617-V621 WeakPolarHBondContact O-CG2 3.32Å; T617-V621 PolarHBondContact O-N 3.3Å
618S87.5Confident85.8Confident3 Ų338.4 Ų38.42%0.02121%0.21CC..Hα-helixtrans-62.8-40.3176.1-65.50000112.7V266 C270 D614 L615 I616 V621 A622 A630V266-S618 VanDerWaalsContact CG1-CB 3.5Å; C270-S618 VanDerWaalsContact SG-C 3.53Å; C270-S618 PolarHBondContact SG-O 3.39Å; D614-S618 WeakPolarHBondContact O-CB 3.28Å; D614-S618 PolarHBondContact O-N 3.42Å; D614-S618 VanDerWaalsContact O-N 3.08Å; D614-S618 PolarHBondContact O-OG 2.88Å; L615-S618 PolarHBondContact O-N 2.75Å; I616-S618 PolarHBondContact O-N 3.42Å; S618-V621 PolarHBondContact O-N 2.89Å; S618-A622 VanDerWaalsContact O-CB 3.26Å; S618-A622 WeakPolarHBondContact O-CB 3.47Å; S618-A622 PolarHBondContact O-N 3.29Å; S618-A630 WeakPolarHBondContact O-CB 3.25Å
619V88.6Confident85.2Confident20 Ų2042.2 Ų42.212%0.12123%0.225CC..Hα-helixtrans-68.2-39.6178.1168.70000111.6M269 F273 L615 I616 T617 A622 R623M269-V619 HydrophobicContact CB-CG2 3.71Å; F273-V619 HydrophobicContact CB-CG1 3.98Å; F273-V619 HydrophobicContact CG-CG1 4.5Å; L615-V619 HydrophobicContact CD1-CG2 3.78Å; L615-V619 WeakPolarHBondContact O-CB 3.34Å; L615-V619 VanDerWaalsContact O-CG2 3.31Å; L615-V619 WeakPolarHBondContact O-CG2 3.21Å; L615-V619 PolarHBondContact O-N 3.35Å; I616-V619 PolarHBondContact O-N 3.1Å; T617-V619 PolarHBondContact O-N 3.22Å; V619-A622 PolarHBondContact O-N 3.44Å; V619-R623 WeakPolarHBondContact O-CG 3.34Å; V619-R623 PolarHBondContact O-N 3.42Å
620I83.7Confident84.7Confident39 Ų3942 Ų4220%0.222%0.223CC..Hα-helixtrans-61.1-48.2174.3-68.6164.8000110.4E518 I616 T617 A622 R623 K624E518-I620 WeakPolarHBondContact OE1-CG2 3.42Å; I616-I620 HydrophobicContact CG2-CD1 3.79Å; I616-I620 WeakPolarHBondContact O-CG1 3.39Å; I616-I620 PolarHBondContact O-N 3.01Å; T617-I620 PolarHBondContact O-N 3.4Å; I620-A622 VanDerWaalsContact C-N 3.31Å; I620-A622 PolarHBondContact O-N 3.38Å; I620-R623 PolarHBondContact O-N 3.12Å; I620-K624 HydrophobicContact CG2-CD 4Å; I620-K624 VanDerWaalsContact CG2-NZ 3.26Å; I620-K624 WeakPolarHBondContact O-CG 3.27Å; I620-K624 PolarHBondContact O-N 3.34Å
621V83.1Confident84.3Confident31 Ų3142.1 Ų42.119%0.18822%0.223CC..Hα-helixtrans-62.1-37.3176.5171.60000111.6T617 S618 K624 L626 M629 A630T617-V621 WeakPolarHBondContact O-CB 3.21Å; T617-V621 VanDerWaalsContact O-CG2 3.29Å; T617-V621 WeakPolarHBondContact O-CG2 3.32Å; T617-V621 PolarHBondContact O-N 3.3Å; S618-V621 PolarHBondContact O-N 2.89Å; V621-K624 PolarHBondContact O-N 3.47Å; V621-L626 HydrophobicContact CG1-CB 3.71Å; V621-L626 WeakPolarHBondContact O-CB 3.41Å; V621-L626 PolarHBondContact O-N 3.01Å; V621-M629 HydrophobicContact CG1-CB 3.83Å; V621-M629 HydrophobicContact CG1-CG 3.97Å; V621-M629 HydrophobicContact CG1-SD 4.19Å; V621-A630 HydrophobicContact CB-CB 4.42Å; V621-A630 HydrophobicContact CG1-CB 4.12Å
622A86.6Confident83.7Confident1 Ų143 Ų431%0.00823%0.23CC..Hα-helixtrans-69.9-39.3174.800000113.3C270 L278 S618 V619 I620 K624 G625 A630C270-A622 HydrophobicContact CB-CB 3.69Å; L278-A622 HydrophobicContact CD1-CB 3.9Å; S618-A622 VanDerWaalsContact O-CB 3.26Å; S618-A622 WeakPolarHBondContact O-CB 3.47Å; S618-A622 PolarHBondContact O-N 3.29Å; V619-A622 PolarHBondContact O-N 3.44Å; I620-A622 VanDerWaalsContact C-N 3.31Å; I620-A622 PolarHBondContact O-N 3.38Å; A622-K624 VanDerWaalsContact C-N 3.27Å; A622-K624 PolarHBondContact O-N 3.49Å; A622-G625 PolarHBondContact O-N 3.36Å; A622-G625 VanDerWaalsContact O-N 3.11Å; A622-A630 HydrophobicContact CB-CB 4.3Å
623R87.1Confident83.4Confident108 Ų10840.8 Ų40.841%0.40822%0.221SC..Hα-helixtrans-59.5-38.4171.9-80.8-178.871.4165.11.7111.4F273 V619 I620 G625F273-R623 WeakPolarHBondContact O-CG 3.25Å; V619-R623 WeakPolarHBondContact O-CG 3.34Å; V619-R623 PolarHBondContact O-N 3.42Å; I620-R623 PolarHBondContact O-N 3.12Å; R623-G625 PolarHBondContact O-N 3.36Å
624K82.9Confident83.6Confident109 Ų10940.3 Ų40.347%0.47422%0.218SC..THydrogen-bonded Turntrans-75.510.1176.2-68.5165.4-179.2168.40114E518 I620 V621 A622 L626E518-K624 WeakPolarHBondContact OE1-CE 3.46Å; E518-K624 IonicContact OE1-NZ 3.16Å; E518-K624 PolarHBondContact OE1-NZ 2.89Å; E518-K624 WeakPolarHBondContact OE2-CE 3.3Å; E518-K624 IonicContact OE2-NZ 3.92Å; E518-K624 PolarHBondContact OE2-NZ 3.32Å; I620-K624 HydrophobicContact CG2-CD 4Å; I620-K624 VanDerWaalsContact CG2-NZ 3.26Å; I620-K624 WeakPolarHBondContact O-CG 3.27Å; I620-K624 PolarHBondContact O-N 3.34Å; V621-K624 PolarHBondContact O-N 3.47Å; A622-K624 VanDerWaalsContact C-N 3.27Å; A622-K624 PolarHBondContact O-N 3.49Å; K624-L626 VanDerWaalsContact C-N 3.29Å; K624-L626 PolarHBondContact O-N 2.9Å
625G81.9Confident83.7Confident44 Ų4440.2 Ų40.245%0.45422%0.218SC..THydrogen-bonded Turntrans81.9-3.1175.200000115.2L278 A622 R623 G627L278-G625 WeakPolarHBondContact CD2-O 3.5Å; A622-G625 PolarHBondContact O-N 3.36Å; A622-G625 VanDerWaalsContact O-N 3.11Å; R623-G625 PolarHBondContact O-N 3.36Å; G625-G627 VanDerWaalsContact C-N 3.26Å; G625-G627 PolarHBondContact O-N 3.38Å; G625-G627 VanDerWaalsContact O-N 3.09Å
626L80.9Confident83.7Confident98 Ų9839.3 Ų39.351%0.51321%0.213SC..  trans-90.546.1-170.9-59.4176.1000112.2V621 K624 D628 M629 A630V621-L626 HydrophobicContact CG1-CB 3.71Å; V621-L626 WeakPolarHBondContact O-CB 3.41Å; V621-L626 PolarHBondContact O-N 3.01Å; K624-L626 VanDerWaalsContact C-N 3.29Å; K624-L626 PolarHBondContact O-N 2.9Å; L626-D628 PolarHBondContact O-N 2.85Å; L626-D628 VanDerWaalsContact O-N 3.12Å; L626-M629 HydrophobicContact CB-CB 4.33Å; L626-M629 WeakPolarHBondContact O-CA 3.36Å; L626-M629 WeakPolarHBondContact O-CB 3.14Å; L626-M629 PolarHBondContact O-N 3.09Å; L626-A630 PolarHBondContact O-N 3.02Å
627G81.8Confident83.9Confident3 Ų334.9 Ų34.93%0.03119%0.191CC..Hα-helixtrans-57.3-30.3-172.800000115.3G625 M629 A630 V631G625-G627 VanDerWaalsContact C-N 3.26Å; G625-G627 PolarHBondContact O-N 3.38Å; G625-G627 VanDerWaalsContact O-N 3.09Å; G627-M629 VanDerWaalsContact C-N 3.3Å; G627-M629 PolarHBondContact O-N 3.1Å; G627-A630 PolarHBondContact O-N 3.24Å; G627-V631 WeakPolarHBondContact O-CG2 3.31Å; G627-V631 PolarHBondContact O-N 3.03Å
628D80.6Confident84.4Confident52 Ų5232.3 Ų32.328%0.27818%0.175SC..Hα-helixtrans-60.8-37.9171.7-93.9-7.2000112.5L280 T281 L626 S632L280-D628 VanDerWaalsContact CA-OD1 3.24Å; L280-D628 WeakPolarHBondContact CA-OD1 3.42Å; T281-D628 VanDerWaalsContact CB-OD2 3.25Å; T281-D628 WeakPolarHBondContact CB-OD2 3.48Å; T281-D628 WeakPolarHBondContact CG2-OD2 3.3Å; T281-D628 PolarHBondContact N-OD1 3.24Å; T281-D628 PolarHBondContact N-OD2 3.4Å; T281-D628 PolarHBondContact OG1-OD2 2.94Å; L626-D628 PolarHBondContact O-N 2.85Å; L626-D628 VanDerWaalsContact O-N 3.12Å; D628-S632 WeakPolarHBondContact O-CB 3.34Å; D628-S632 PolarHBondContact O-N 2.9Å
629M79Confident84.7Confident102 Ų10232.2 Ų32.250%0.50217%0.174SC..Hα-helixtrans-74.5-43.1179.5-178.2174.5171.200111V621 L626 G627 S632 S633V621-M629 HydrophobicContact CG1-CB 3.83Å; V621-M629 HydrophobicContact CG1-CG 3.97Å; V621-M629 HydrophobicContact CG1-SD 4.19Å; L626-M629 HydrophobicContact CB-CB 4.33Å; L626-M629 WeakPolarHBondContact O-CA 3.36Å; L626-M629 WeakPolarHBondContact O-CB 3.14Å; L626-M629 PolarHBondContact O-N 3.09Å; G627-M629 VanDerWaalsContact C-N 3.3Å; G627-M629 PolarHBondContact O-N 3.1Å; M629-S632 PolarHBondContact O-N 3.1Å; M629-S633 WeakPolarHBondContact O-CB 3.43Å; M629-S633 PolarHBondContact O-N 3.33Å
630A82.4Confident84.9Confident3 Ų331.9 Ų31.93%0.02517%0.171CC..Hα-helixtrans-58.7-49.1175.500000111.7S618 V621 A622 L626 G627 S633 S634S618-A630 WeakPolarHBondContact O-CB 3.25Å; V621-A630 HydrophobicContact CB-CB 4.42Å; V621-A630 HydrophobicContact CG1-CB 4.12Å; A622-A630 HydrophobicContact CB-CB 4.3Å; L626-A630 PolarHBondContact O-N 3.02Å; G627-A630 PolarHBondContact O-N 3.24Å; A630-S633 PolarHBondContact O-N 3.43Å; A630-S634 WeakPolarHBondContact O-CB 3.42Å; A630-S634 PolarHBondContact O-N 3.31Å; A630-S634 VanDerWaalsContact O-N 3.12Å
631V83.8Confident85.4Confident6 Ų630 Ų304%0.03616%0.162CC..Hα-helixtrans-68.4-37.7177.9176.10000112I267 L280 L285 G627 V635I267-V631 HydrophobicContact CD1-CG1 4Å; I267-V631 HydrophobicContact CD1-CG2 4.31Å; I267-V631 HydrophobicContact CG1-CG2 4.28Å; I267-V631 HydrophobicContact CG2-CG2 4.45Å; L280-V631 HydrophobicContact CD2-CB 4.26Å; L280-V631 HydrophobicContact CD2-CG2 3.93Å; L285-V631 HydrophobicContact CD1-CG1 4.04Å; G627-V631 WeakPolarHBondContact O-CG2 3.31Å; G627-V631 PolarHBondContact O-N 3.03Å; V631-V635 HydrophobicContact CG1-CG2 4.41Å; V631-V635 WeakPolarHBondContact O-CG2 3.26Å; V631-V635 PolarHBondContact O-N 3.09Å
632S79.1Confident86Confident21 Ų2128.6 Ų28.615%0.14715%0.153CC..Hα-helixtrans-70.6-29.8177.3-171.30000113D288 D628 M629 G636D288-S632 PolarHBondContact OD2-OG 2.9Å; D628-S632 WeakPolarHBondContact O-CB 3.34Å; D628-S632 PolarHBondContact O-N 2.9Å; M629-S632 PolarHBondContact O-N 3.1Å; S632-G636 PolarHBondContact O-N 3.38Å
633S79.3Confident86.3Confident28 Ų2828.6 Ų28.620%0.19615%0.152CC..Hα-helixtrans-67.1-52.8172.3-157.40000110.4M629 A630 V635 G636 S637M629-S633 WeakPolarHBondContact O-CB 3.43Å; M629-S633 PolarHBondContact O-N 3.33Å; A630-S633 PolarHBondContact O-N 3.43Å; S633-V635 VanDerWaalsContact C-N 3.32Å; S633-V635 PolarHBondContact O-N 3.36Å; S633-G636 CarbonylContact O-C 3.59Å; S633-G636 WeakPolarHBondContact O-CA 3.27Å; S633-G636 PolarHBondContact O-N 2.98Å; S633-S637 PolarHBondContact O-N 3.08Å; S633-S637 PolarHBondContact O-OG 2.92Å
634S86.3Confident86.7Confident1 Ų125.1 Ų25.11%0.00714%0.142CC..Hα-helixtrans-62.9-30.3-179.1-174.70000114.2N262 A630 S637 N638N262-S634 WeakPolarHBondContact CB-OG 3.47Å; N262-S634 PolarHBondContact O-OG 3.13Å; A630-S634 WeakPolarHBondContact O-CB 3.42Å; A630-S634 PolarHBondContact O-N 3.31Å; A630-S634 VanDerWaalsContact O-N 3.12Å; S634-S637 PolarHBondContact O-OG 2.6Å; S634-N638 VanDerWaalsContact O-CG 3.28Å; S634-N638 PolarHBondContact O-OD1 2.79Å
635V87Confident87.2Confident9 Ų920 Ų206%0.05512%0.119CC..Hα-helixtrans-80.5-29.1169.8176.60000111.5D288 V289 V631 S633 I639D288-V635 HydrophobicContact CB-CG1 3.74Å; V289-V635 HydrophobicContact CG2-CG1 4.25Å; V631-V635 HydrophobicContact CG1-CG2 4.41Å; V631-V635 WeakPolarHBondContact O-CG2 3.26Å; V631-V635 PolarHBondContact O-N 3.09Å; S633-V635 VanDerWaalsContact C-N 3.32Å; S633-V635 PolarHBondContact O-N 3.36Å; V635-I639 HydrophobicContact CG1-CD1 4.14Å; V635-I639 WeakPolarHBondContact O-CG1 3.4Å; V635-I639 PolarHBondContact O-N 3.43Å; V635-I639 VanDerWaalsContact O-N 3.14Å
636G88.2Confident87.8Confident1 Ų117.9 Ų17.91%0.0110%0.097CC..Hα-helixtrans-68.1-44.3177.700000113.6S632 S633 I639 F640S632-G636 PolarHBondContact O-N 3.38Å; S633-G636 CarbonylContact O-C 3.59Å; S633-G636 WeakPolarHBondContact O-CA 3.27Å; S633-G636 PolarHBondContact O-N 2.98Å; G636-I639 PolarHBondContact O-N 3.36Å; G636-F640 PolarHBondContact O-N 3.32Å; G636-F640 VanDerWaalsContact O-N 3.14Å
637S89.6Confident88.4Confident0 Ų013.2 Ų13.20%07%0.073CC..Hα-helixtrans-59.9-50.7174.8310000109.9S232 D614 S633 S634 I639 F640 D641S232-S637 WeakPolarHBondContact OG-CA 3.35Å; S232-S637 WeakPolarHBondContact OG-CB 3.16Å; S232-S637 PolarHBondContact OG-O 3.25Å; D614-S637 WeakPolarHBondContact OD2-CB 3.39Å; D614-S637 PolarHBondContact OD2-OG 3.39Å; S633-S637 PolarHBondContact O-N 3.08Å; S633-S637 PolarHBondContact O-OG 2.92Å; S634-S637 PolarHBondContact O-OG 2.6Å; S637-I639 VanDerWaalsContact C-N 3.3Å; S637-I639 PolarHBondContact O-N 3Å; S637-I639 VanDerWaalsContact O-N 3.16Å; S637-F640 CarbonylContact O-C 3.44Å; S637-F640 WeakPolarHBondContact O-CA 3.33Å; S637-F640 WeakPolarHBondContact O-CB 3.46Å; S637-F640 PolarHBondContact O-N 3.01Å; S637-D641 VanDerWaalsContact C-OD2 3.31Å; S637-D641 PolarHBondContact O-N 2.92Å; S637-D641 VanDerWaalsContact O-OD2 3.11Å
638N92.6Very high89.1Confident0 Ų015.7 Ų15.70%09%0.085CC..Hα-helixtrans-55-37.3176.4-71.620.1000115A259 N262 I263 Y292 S634 I642A259-N638 VanDerWaalsContact CA-ND2 3.31Å; A259-N638 WeakPolarHBondContact CA-ND2 3.35Å; A259-N638 HydrophobicContact CB-CB 4.47Å; A259-N638 PolarHBondContact O-ND2 3.42Å; N262-N638 WeakPolarHBondContact CB-OD1 3.46Å; N262-N638 PolarHBondContact ND2-OD1 3.28Å; I263-N638 WeakPolarHBondContact CD1-ND2 3.42Å; I263-N638 VanDerWaalsContact CG1-ND2 3.35Å; I263-N638 WeakPolarHBondContact CG1-ND2 3.47Å; Y292-N638 HydrophobicContact CE2-CB 3.86Å; Y292-N638 WeakPolarHBondContact CE2-O 3.43Å; S634-N638 VanDerWaalsContact O-CG 3.28Å; S634-N638 PolarHBondContact O-OD1 2.79Å; N638-I642 WeakPolarHBondContact O-CG1 3.2Å; N638-I642 PolarHBondContact O-N 3.28Å
639I93.5Very high89.7Confident0 Ų013.2 Ų13.20%07%0.072CC..Hα-helixtrans-65.3-46.3173.8-71164.1000109.7D288 Y292 Y320 Y323 V635 G636 S637 T643D288-I639 HydrophobicContact CB-CD1 3.96Å; Y292-I639 HydrophobicContact CD2-CG1 3.82Å; Y292-I639 HydrophobicContact CG-CG1 4.13Å; Y320-I639 HydrophobicContact CD2-CG2 4.26Å; Y320-I639 HydrophobicContact CE2-CG2 4.48Å; Y323-I639 HydrophobicContact CD1-CG2 4.1Å; Y323-I639 HydrophobicContact CE1-CG2 4.29Å; Y323-I639 HydrophobicContact CE2-CD1 4.35Å; Y323-I639 HydrophobicContact CG-CG2 4.49Å; V635-I639 HydrophobicContact CG1-CD1 4.14Å; V635-I639 WeakPolarHBondContact O-CG1 3.4Å; V635-I639 PolarHBondContact O-N 3.43Å; V635-I639 VanDerWaalsContact O-N 3.14Å; G636-I639 PolarHBondContact O-N 3.36Å; S637-I639 VanDerWaalsContact C-N 3.3Å; S637-I639 PolarHBondContact O-N 3Å; S637-I639 VanDerWaalsContact O-N 3.16Å; I639-T643 WeakPolarHBondContact O-CB 3.14Å; I639-T643 WeakPolarHBondContact O-CG2 3.44Å; I639-T643 PolarHBondContact O-N 3.3Å; I639-T643 PolarHBondContact O-OG1 2.98Å
640F93.9Very high90.4Very high14 Ų148.4 Ų8.46%0.0615%0.048CC..Hα-helixtrans-61.7-41.6176.3176.5-89.8000112.1A229 L236 Y320 G636 S637 I642 T643 M644 G645A229-F640 HydrophobicContact CB-CD1 4.31Å; A229-F640 HydrophobicContact CB-CD2 3.55Å; A229-F640 HydrophobicContact CB-CE1 4.22Å; A229-F640 HydrophobicContact CB-CE2 3.45Å; A229-F640 VanDerWaalsContact CB-CE2 3.45Å; A229-F640 HydrophobicContact CB-CG 3.98Å; A229-F640 HydrophobicContact CB-CZ 3.8Å; L236-F640 HydrophobicContact CB-CE1 4.4Å; L236-F640 HydrophobicContact CD2-CE1 4.36Å; L236-F640 HydrophobicContact CD2-CZ 4.13Å; Y320-F640 HydrophobicContact CE1-CD2 4.08Å; Y320-F640 HydrophobicContact CE2-CB 4.27Å; Y320-F640 HydrophobicContact CE2-CD2 4.23Å; Y320-F640 AromaticContact CZ-CD2 3.8Å; G636-F640 PolarHBondContact O-N 3.32Å; G636-F640 VanDerWaalsContact O-N 3.14Å; S637-F640 CarbonylContact O-C 3.44Å; S637-F640 WeakPolarHBondContact O-CA 3.33Å; S637-F640 WeakPolarHBondContact O-CB 3.46Å; S637-F640 PolarHBondContact O-N 3.01Å; F640-I642 PolarHBondContact O-N 3.3Å; F640-T643 PolarHBondContact O-N 2.7Å; F640-M644 HydrophobicContact CD1-CB 4.44Å; F640-M644 HydrophobicContact CD2-CB 3.72Å; F640-M644 HydrophobicContact CD2-CG 3.72Å; F640-M644 HydrophobicContact CE1-CB 4.37Å; F640-M644 HydrophobicContact CE2-CB 3.62Å; F640-M644 HydrophobicContact CE2-CE 4.12Å; F640-M644 HydrophobicContact CE2-CG 3.81Å; F640-M644 HydrophobicContact CG-CB 4.16Å; F640-M644 HydrophobicContact CG-CG 4.47Å; F640-M644 HydrophobicContact CZ-CB 3.97Å; F640-M644 CarbonylContact O-C 3.59Å; F640-M644 VanDerWaalsContact O-CA 3.31Å; F640-M644 WeakPolarHBondContact O-CA 3.28Å; F640-M644 VanDerWaalsContact O-CB 3.25Å; F640-M644 WeakPolarHBondContact O-CB 3.48Å; F640-M644 PolarHBondContact O-N 2.57Å; F640-G645 PolarHBondContact O-N 2.93Å
641D94.4Very high91Very high0 Ų09.4 Ų9.40%05%0.053CC..Iπ-helixtrans-61.8-45-179.2-57.3-36.8000111.9S232 I255 S637 G645 L646S232-D641 WeakPolarHBondContact CB-OD1 3.37Å; S232-D641 PolarHBondContact OG-OD1 3.43Å; I255-D641 HydrophobicContact CB-CB 4.49Å; I255-D641 HydrophobicContact CG1-CB 4.2Å; I255-D641 HydrophobicContact CG2-CB 3.72Å; S637-D641 VanDerWaalsContact C-OD2 3.31Å; S637-D641 PolarHBondContact O-N 2.92Å; S637-D641 VanDerWaalsContact O-OD2 3.11Å; D641-G645 CarbonylContact O-C 3.6Å; D641-G645 WeakPolarHBondContact O-CA 3.36Å; D641-G645 PolarHBondContact O-N 3.35Å; D641-L646 PolarHBondContact O-N 2.98Å
642I94.1Very high91.5Very high1 Ų112.7 Ų12.71%0.0057%0.07CC..Iπ-helixtrans-72.5-37.6178.7-62.2-58000112.2I255 Y292 D295 L296 L299 N638 F640 L646 P647I255-I642 HydrophobicContact CG2-CD1 3.83Å; Y292-I642 HydrophobicContact CE2-CG1 3.8Å; D295-I642 HydrophobicContact CB-CG2 4.36Å; L296-I642 HydrophobicContact CD2-CD1 4.25Å; L296-I642 HydrophobicContact CD2-CG1 4.14Å; L296-I642 HydrophobicContact CD2-CG2 4.47Å; L299-I642 HydrophobicContact CD2-CD1 4.04Å; L299-I642 HydrophobicContact CD2-CG2 4.19Å; N638-I642 WeakPolarHBondContact O-CG1 3.2Å; N638-I642 PolarHBondContact O-N 3.28Å; F640-I642 PolarHBondContact O-N 3.3Å; I642-L646 HydrophobicContact CD1-CD1 3.9Å; I642-P647 WeakPolarHBondContact O-CD 3.41Å
643T94.9Very high92.1Very high0 Ų014.4 Ų14.40%07%0.073CC..Iπ-helixtrans-99.5-9.5-171.463.20000115.2D295 L316 V317 Y320 I639 F640 P647D295-T643 HydrophobicContact CB-CG2 3.71Å; D295-T643 VanDerWaalsContact CG-CG2 3.43Å; L316-T643 CarbonylContact C-O 3.6Å; L316-T643 HydrophobicContact CD2-CG2 4.46Å; V317-T643 WeakPolarHBondContact CA-O 3.36Å; V317-T643 PolarHBondContact N-O 3.01Å; Y320-T643 WeakPolarHBondContact CB-OG1 3.44Å; Y320-T643 VanDerWaalsContact CD2-OG1 3.26Å; Y320-T643 WeakPolarHBondContact CD2-OG1 3.44Å; I639-T643 WeakPolarHBondContact O-CB 3.14Å; I639-T643 WeakPolarHBondContact O-CG2 3.44Å; I639-T643 PolarHBondContact O-N 3.3Å; I639-T643 PolarHBondContact O-OG1 2.98Å; F640-T643 PolarHBondContact O-N 2.7Å; T643-P647 VanDerWaalsContact C-CG 3.42Å; T643-P647 WeakPolarHBondContact O-CG 3.25Å
644M94.7Very high92.8Very high36 Ų3613.1 Ų13.118%0.1776%0.064CC..Iπ-helixtrans-134.9-48.8177.3-62-78.6-82.700111.2V317 Y320 F640 L646 P647 I648V317-M644 HydrophobicContact CG1-SD 4.03Å; V317-M644 HydrophobicContact CG2-SD 4.26Å; Y320-M644 HydrophobicContact CD1-CE 3.9Å; Y320-M644 HydrophobicContact CD1-CG 3.45Å; Y320-M644 VanDerWaalsContact CD1-CG 3.45Å; Y320-M644 HydrophobicContact CD1-SD 3.55Å; Y320-M644 VanDerWaalsContact CD1-SD 3.55Å; Y320-M644 HydrophobicContact CD2-CG 4.24Å; Y320-M644 HydrophobicContact CE1-CE 4.16Å; Y320-M644 HydrophobicContact CE1-CG 3.99Å; Y320-M644 HydrophobicContact CE1-SD 4.34Å; Y320-M644 HydrophobicContact CG-CG 3.59Å; Y320-M644 HydrophobicContact CG-SD 4.03Å; F640-M644 HydrophobicContact CD1-CB 4.44Å; F640-M644 HydrophobicContact CD2-CB 3.72Å; F640-M644 HydrophobicContact CD2-CG 3.72Å; F640-M644 HydrophobicContact CE1-CB 4.37Å; F640-M644 HydrophobicContact CE2-CB 3.62Å; F640-M644 HydrophobicContact CE2-CE 4.12Å; F640-M644 HydrophobicContact CE2-CG 3.81Å; F640-M644 HydrophobicContact CG-CB 4.16Å; F640-M644 HydrophobicContact CG-CG 4.47Å; F640-M644 HydrophobicContact CZ-CB 3.97Å; F640-M644 CarbonylContact O-C 3.59Å; F640-M644 VanDerWaalsContact O-CA 3.31Å; F640-M644 WeakPolarHBondContact O-CA 3.28Å; F640-M644 VanDerWaalsContact O-CB 3.25Å; F640-M644 WeakPolarHBondContact O-CB 3.48Å; F640-M644 PolarHBondContact O-N 2.57Å; M644-L646 PolarHBondContact O-N 3.35Å; M644-P647 WeakPolarHBondContact O-CD 3.42Å; M644-I648 HydrophobicContact CB-CD1 3.9Å; M644-I648 HydrophobicContact CE-CD1 3.78Å; M644-I648 VanDerWaalsContact O-CB 3.24Å; M644-I648 WeakPolarHBondContact O-CB 3.45Å; M644-I648 VanDerWaalsContact O-CG1 3.25Å; M644-I648 WeakPolarHBondContact O-CG1 3.29Å; M644-I648 PolarHBondContact O-N 3.16Å; M644-I648 HydrophobicContact SD-CD1 4.03Å
645G93.8Very high93.1Very high0 Ų018.9 Ų18.90%09%0.089CC..Iπ-helixtrans-57-42.7-178.300000115S239 F640 D641 P649S239-G645 VanDerWaalsContact CB-O 3.27Å; S239-G645 WeakPolarHBondContact CB-O 3.21Å; S239-G645 PolarHBondContact OG-O 3.44Å; F640-G645 PolarHBondContact O-N 2.93Å; D641-G645 CarbonylContact O-C 3.6Å; D641-G645 WeakPolarHBondContact O-CA 3.36Å; D641-G645 PolarHBondContact O-N 3.35Å; G645-P649 VanDerWaalsContact O-CD 3.23Å; G645-P649 WeakPolarHBondContact O-CD 3.25Å; G645-P649 WeakPolarHBondContact O-CG 3.27Å
646L93.3Very high93.4Very high0 Ų023.5 Ų23.50%011%0.113CC..THydrogen-bonded Turntrans-77.9-56.4173.2-68.2176.4000113.6I252 I255 L299 D641 I642 M644 I648 P649 W650I252-L646 HydrophobicContact CB-CD2 4.07Å; I252-L646 HydrophobicContact CG1-CD2 4.04Å; I252-L646 HydrophobicContact CG2-CD2 3.74Å; I255-L646 HydrophobicContact CB-CD2 4.1Å; I255-L646 HydrophobicContact CB-CG 4.4Å; I255-L646 HydrophobicContact CD1-CD2 3.74Å; I255-L646 HydrophobicContact CD1-CG 3.91Å; I255-L646 HydrophobicContact CG2-CD1 4.1Å; I255-L646 HydrophobicContact CG2-CD2 4.1Å; I255-L646 HydrophobicContact CG2-CG 3.89Å; L299-L646 HydrophobicContact CD1-CD1 3.99Å; L299-L646 HydrophobicContact CD2-CD1 3.92Å; D641-L646 PolarHBondContact O-N 2.98Å; I642-L646 HydrophobicContact CD1-CD1 3.9Å; M644-L646 PolarHBondContact O-N 3.35Å; L646-I648 PolarHBondContact O-N 3.36Å; L646-P649 WeakPolarHBondContact O-CD 3.31Å; L646-W650 HydrophobicContact CB-CE3 4.38Å; L646-W650 HydrophobicContact CB-CH2 3.64Å; L646-W650 HydrophobicContact CB-CZ2 4.01Å; L646-W650 HydrophobicContact CB-CZ3 3.84Å; L646-W650 HydrophobicContact CD1-CH2 4.05Å; L646-W650 HydrophobicContact CD2-CH2 4.25Å; L646-W650 HydrophobicContact CD2-CZ2 4.02Å; L646-W650 HydrophobicContact CG-CH2 4.2Å; L646-W650 HydrophobicContact CG-CZ2 4.44Å; L646-W650 VanDerWaalsContact O-CD2 3.31Å
647P94.9Very high93.6Very high0 Ų027.9 Ų27.90%013%0.133CC..Hα-helixtrans-74.9-22-170.529.9-39.3000114.9S313 L316 V317 I642 T643 M644 W650 L651S313-P647 WeakPolarHBondContact O-CB 3.38Å; L316-P647 HydrophobicContact CB-CB 4.04Å; L316-P647 HydrophobicContact CB-CG 3.81Å; L316-P647 HydrophobicContact CD1-CB 4.29Å; L316-P647 HydrophobicContact CD1-CG 4.43Å; V317-P647 HydrophobicContact CG2-CB 3.99Å; V317-P647 HydrophobicContact CG2-CG 3.73Å; I642-P647 WeakPolarHBondContact O-CD 3.41Å; T643-P647 VanDerWaalsContact C-CG 3.42Å; T643-P647 WeakPolarHBondContact O-CG 3.25Å; M644-P647 WeakPolarHBondContact O-CD 3.42Å; P647-W650 HydrophobicContact CB-CE3 4.38Å; P647-L651 WeakPolarHBondContact O-CB 3.35Å; P647-L651 PolarHBondContact O-N 3.01Å
648I95.1Very high93.6Very high55 Ų5531 Ų3128%0.28217%0.165SC..Hα-helixtrans-65.4-51.1178.7-71.6172.3000111.3L236 V317 M644 L646 W650 L651 L652L236-I648 HydrophobicContact CD1-CB 4.17Å; L236-I648 HydrophobicContact CD1-CD1 4.5Å; L236-I648 HydrophobicContact CD1-CG2 4.31Å; V317-I648 HydrophobicContact CG2-CG1 4.39Å; M644-I648 HydrophobicContact CB-CD1 3.9Å; M644-I648 HydrophobicContact CE-CD1 3.78Å; M644-I648 VanDerWaalsContact O-CB 3.24Å; M644-I648 WeakPolarHBondContact O-CB 3.45Å; M644-I648 VanDerWaalsContact O-CG1 3.25Å; M644-I648 WeakPolarHBondContact O-CG1 3.29Å; M644-I648 PolarHBondContact O-N 3.16Å; M644-I648 HydrophobicContact SD-CD1 4.03Å; L646-I648 PolarHBondContact O-N 3.36Å; I648-W650 PolarHBondContact O-N 2.78Å; I648-L651 PolarHBondContact O-N 2.93Å; I648-L652 VanDerWaalsContact O-CB 3.29Å; I648-L652 WeakPolarHBondContact O-CB 3.41Å; I648-L652 PolarHBondContact O-N 3.17Å
649P94.3Very high93.5Very high0 Ų034.7 Ų34.70%019%0.185CC..Hα-helixtrans-53.7-48.2170.9-33.440.5000114L236 L240 V243 G645 L646 L652 Y653L236-P649 HydrophobicContact CD1-CG 4.49Å; L240-P649 HydrophobicContact CB-CG 4.02Å; V243-P649 HydrophobicContact CB-CB 4.1Å; V243-P649 HydrophobicContact CG2-CB 3.81Å; G645-P649 VanDerWaalsContact O-CD 3.23Å; G645-P649 WeakPolarHBondContact O-CD 3.25Å; G645-P649 WeakPolarHBondContact O-CG 3.27Å; L646-P649 WeakPolarHBondContact O-CD 3.31Å; P649-L652 PolarHBondContact O-N 3.11Å; P649-Y653 WeakPolarHBondContact O-CB 3.36Å; P649-Y653 PolarHBondContact O-N 3.48Å
650W93.6Very high93.2Very high2 Ų236.4 Ų36.41%0.00820%0.198CC..Hα-helixtrans-62.6-44.9178.9-59.3-28.1000112.5I252 L299 F303 I308 S313 L316 L646 P647 I648 Y653 S654 V662I252-W650 HydrophobicContact CD1-CZ2 3.84Å; I252-W650 HydrophobicContact CG1-CZ2 4.07Å; L299-W650 HydrophobicContact CD1-CH2 4.07Å; L299-W650 HydrophobicContact CD1-CZ3 4.29Å; F303-W650 AromaticContact CE2-CH2 3.62Å; F303-W650 HydrophobicContact CE2-CH2 3.62Å; F303-W650 HydrophobicContact CE2-CZ2 4.28Å; F303-W650 HydrophobicContact CE2-CZ3 4.41Å; F303-W650 AromaticContact CZ-CH2 3.77Å; F303-W650 HydrophobicContact CZ-CH2 3.77Å; F303-W650 HydrophobicContact CZ-CZ2 4.02Å; I308-W650 HydrophobicContact CB-CE3 4.45Å; I308-W650 HydrophobicContact CG1-CD2 4.5Å; I308-W650 HydrophobicContact CG1-CE3 4.36Å; I308-W650 HydrophobicContact CG1-CH2 4.43Å; I308-W650 HydrophobicContact CG1-CZ3 4.33Å; I308-W650 HydrophobicContact CG2-CD2 4.24Å; I308-W650 HydrophobicContact CG2-CE3 3.72Å; I308-W650 HydrophobicContact CG2-CZ3 4.17Å; S313-W650 WeakPolarHBondContact OG-CB 3.22Å; L316-W650 HydrophobicContact CD1-CZ3 4.31Å; L646-W650 HydrophobicContact CB-CE3 4.38Å; L646-W650 HydrophobicContact CB-CH2 3.64Å; L646-W650 HydrophobicContact CB-CZ2 4.01Å; L646-W650 HydrophobicContact CB-CZ3 3.84Å; L646-W650 HydrophobicContact CD1-CH2 4.05Å; L646-W650 HydrophobicContact CD2-CH2 4.25Å; L646-W650 HydrophobicContact CD2-CZ2 4.02Å; L646-W650 HydrophobicContact CG-CH2 4.2Å; L646-W650 HydrophobicContact CG-CZ2 4.44Å; L646-W650 VanDerWaalsContact O-CD2 3.31Å; P647-W650 HydrophobicContact CB-CE3 4.38Å; I648-W650 PolarHBondContact O-N 2.78Å; W650-Y653 PolarHBondContact O-N 3.2Å; W650-S654 WeakPolarHBondContact O-CB 3.35Å; W650-S654 PolarHBondContact O-N 3.43Å; W650-S654 PolarHBondContact O-OG 2.8Å; W650-V662 HydrophobicContact CB-CG2 4.13Å; W650-V662 HydrophobicContact CG-CG2 4.43Å
651L94.6Very high92.9Very high23 Ų2338.5 Ų38.512%0.1221%0.214CC..Hα-helixtrans-64.6-41.6179.2-178.162.8000111.6M314 P647 I648 F655M314-L651 HydrophobicContact CG-CD1 3.73Å; M314-L651 HydrophobicContact CG-CD2 4.35Å; M314-L651 HydrophobicContact SD-CD1 3.85Å; M314-L651 HydrophobicContact SD-CD2 3.52Å; M314-L651 VanDerWaalsContact SD-CD2 3.52Å; M314-L651 HydrophobicContact SD-CG 4.34Å; P647-L651 WeakPolarHBondContact O-CB 3.35Å; P647-L651 PolarHBondContact O-N 3.01Å; I648-L651 PolarHBondContact O-N 2.93Å; L651-F655 HydrophobicContact CD1-CD2 3.89Å; L651-F655 HydrophobicContact CD1-CE2 3.42Å; L651-F655 VanDerWaalsContact CD1-CE2 3.42Å; L651-F655 HydrophobicContact CD1-CZ 4.04Å; L651-F655 HydrophobicContact CD2-CE2 4.13Å; L651-F655 HydrophobicContact CG-CD2 3.82Å; L651-F655 HydrophobicContact CG-CE2 3.57Å; L651-F655 WeakPolarHBondContact O-CB 3.34Å; L651-F655 WeakPolarHBondContact O-CD2 3.48Å; L651-F655 PolarHBondContact O-N 3.43Å
652L93.9Very high92.6Very high75 Ų7539.3 Ų39.339%0.39322%0.218SC..Hα-helixtrans-64-43.5175.3-174.862.8000110.9L240 F244 I648 P649 F655 I656L240-L652 HydrophobicContact CD1-CD2 4.39Å; F244-L652 HydrophobicContact CE2-CB 4.17Å; F244-L652 HydrophobicContact CE2-CD2 3.95Å; F244-L652 HydrophobicContact CE2-CG 4.09Å; F244-L652 HydrophobicContact CZ-CB 4.09Å; F244-L652 HydrophobicContact CZ-CD2 4.01Å; F244-L652 HydrophobicContact CZ-CG 3.77Å; I648-L652 VanDerWaalsContact O-CB 3.29Å; I648-L652 WeakPolarHBondContact O-CB 3.41Å; I648-L652 PolarHBondContact O-N 3.17Å; P649-L652 PolarHBondContact O-N 3.11Å; L652-F655 PolarHBondContact O-N 2.81Å; L652-I656 HydrophobicContact CD1-CD1 4.14Å; L652-I656 HydrophobicContact CG-CD1 4.03Å; L652-I656 WeakPolarHBondContact O-CG1 3.43Å; L652-I656 PolarHBondContact O-N 3.15Å
653Y92.2Very high92.1Very high58 Ų5843.1 Ų43.123%0.22725%0.25CS..Hα-helixtrans-61.9-49176.4179.6-82.5000111.2V243 F244 P649 W650 F655 I656 H657 V662V243-Y653 HydrophobicContact CG1-CD2 3.92Å; V243-Y653 HydrophobicContact CG1-CG 4.06Å; F244-Y653 HydrophobicContact CE1-CD2 4.28Å; F244-Y653 HydrophobicContact CZ-CD2 4.47Å; P649-Y653 WeakPolarHBondContact O-CB 3.36Å; P649-Y653 PolarHBondContact O-N 3.48Å; W650-Y653 PolarHBondContact O-N 3.2Å; Y653-F655 VanDerWaalsContact C-N 3.35Å; Y653-F655 PolarHBondContact O-N 3.44Å; Y653-I656 PolarHBondContact O-N 3.02Å; Y653-H657 AromaticContact CD1-ND1 3.69Å; Y653-H657 AromaticContact CD2-CE1 3.56Å; Y653-H657 AromaticContact CD2-ND1 3.52Å; Y653-H657 HydrophobicContact CE1-CB 4.34Å; Y653-H657 AromaticContact CE1-ND1 3.62Å; Y653-H657 AromaticContact CE2-CE1 3.3Å; Y653-H657 WeakPolarHBondContact CE2-CE1 3.5Å; Y653-H657 AromaticContact CE2-ND1 3.44Å; Y653-H657 WeakPolarHBondContact CE2-ND1 3.31Å; Y653-H657 AromaticContact CG-ND1 3.64Å; Y653-H657 AromaticContact CZ-CE1 3.71Å; Y653-H657 AromaticContact CZ-ND1 3.49Å; Y653-H657 WeakPolarHBondContact O-CB 3.48Å; Y653-H657 PolarHBondContact O-N 3.47Å; Y653-H657 PolarHBondContact O-ND1 3.31Å; Y653-V662 HydrophobicContact CD1-CG2 3.61Å; Y653-V662 HydrophobicContact CE1-CG2 4.23Å; Y653-V662 HydrophobicContact CG-CG2 4.24Å
654S92.7Very high91.5Very high0 Ų043.5 Ų43.50%025%0.253CS..Hα-helixtrans-59.3-42.7175.9-71.70000112W650 I656 H657 G658 L659 A660W650-S654 WeakPolarHBondContact O-CB 3.35Å; W650-S654 PolarHBondContact O-N 3.43Å; W650-S654 PolarHBondContact O-OG 2.8Å; S654-I656 PolarHBondContact O-N 3.37Å; S654-H657 CarbonylContact O-C 3.52Å; S654-H657 PolarHBondContact O-N 3.02Å; S654-G658 PolarHBondContact O-N 3.09Å; S654-L659 VanDerWaalsContact O-CA 3.26Å; S654-L659 WeakPolarHBondContact O-CA 3.43Å; S654-L659 PolarHBondContact O-N 2.89Å; S654-A660 WeakPolarHBondContact CA-O 3.25Å; S654-A660 VanDerWaalsContact CB-O 3.32Å; S654-A660 WeakPolarHBondContact CB-O 3.24Å; S654-A660 PolarHBondContact OG-O 3Å
655F93.9Very high90.3Very high123 Ų12345.8 Ų45.854%0.53927%0.272SS..Hα-helixtrans-64.6-39.1177.8-83.2-52.6000113L651 L652 Y653 L659L651-F655 HydrophobicContact CD1-CD2 3.89Å; L651-F655 HydrophobicContact CD1-CE2 3.42Å; L651-F655 VanDerWaalsContact CD1-CE2 3.42Å; L651-F655 HydrophobicContact CD1-CZ 4.04Å; L651-F655 HydrophobicContact CD2-CE2 4.13Å; L651-F655 HydrophobicContact CG-CD2 3.82Å; L651-F655 HydrophobicContact CG-CE2 3.57Å; L651-F655 WeakPolarHBondContact O-CB 3.34Å; L651-F655 WeakPolarHBondContact O-CD2 3.48Å; L651-F655 PolarHBondContact O-N 3.43Å; L652-F655 PolarHBondContact O-N 2.81Å; Y653-F655 VanDerWaalsContact C-N 3.35Å; Y653-F655 PolarHBondContact O-N 3.44Å; F655-L659 HydrophobicContact CD1-CD2 3.84Å; F655-L659 HydrophobicContact CE1-CD2 3.94Å
656I93.2Very high88.7Confident106 Ų10647.2 Ų47.254%0.54428%0.282SS..Hα-helixtrans-68.3-40.3177.1-70.4166.8000110.9F244 L652 Y653 S654 G658F244-I656 HydrophobicContact CE1-CD1 3.76Å; F244-I656 HydrophobicContact CZ-CD1 3.94Å; L652-I656 HydrophobicContact CD1-CD1 4.14Å; L652-I656 HydrophobicContact CG-CD1 4.03Å; L652-I656 WeakPolarHBondContact O-CG1 3.43Å; L652-I656 PolarHBondContact O-N 3.15Å; Y653-I656 PolarHBondContact O-N 3.02Å; S654-I656 PolarHBondContact O-N 3.37Å; I656-G658 VanDerWaalsContact C-N 3.33Å; I656-G658 PolarHBondContact O-N 3.42Å
657H91.5Very high87.3Confident92 Ų9252.8 Ų52.843%0.42631%0.312SS..THydrogen-bonded Turntrans-92.427.8-178.3-60.896.9000114.1Y653 S654 A660Y653-H657 AromaticContact CD1-ND1 3.69Å; Y653-H657 AromaticContact CD2-CE1 3.56Å; Y653-H657 AromaticContact CD2-ND1 3.52Å; Y653-H657 HydrophobicContact CE1-CB 4.34Å; Y653-H657 AromaticContact CE1-ND1 3.62Å; Y653-H657 AromaticContact CE2-CE1 3.3Å; Y653-H657 WeakPolarHBondContact CE2-CE1 3.5Å; Y653-H657 AromaticContact CE2-ND1 3.44Å; Y653-H657 WeakPolarHBondContact CE2-ND1 3.31Å; Y653-H657 AromaticContact CG-ND1 3.64Å; Y653-H657 AromaticContact CZ-CE1 3.71Å; Y653-H657 AromaticContact CZ-ND1 3.49Å; Y653-H657 WeakPolarHBondContact O-CB 3.48Å; Y653-H657 PolarHBondContact O-N 3.47Å; Y653-H657 PolarHBondContact O-ND1 3.31Å; S654-H657 CarbonylContact O-C 3.52Å; S654-H657 PolarHBondContact O-N 3.02Å; H657-A660 HydrophobicContact CB-CB 3.97Å; H657-A660 VanDerWaalsContact O-CB 3.28Å; H657-A660 WeakPolarHBondContact O-CB 3.23Å; H657-A660 PolarHBondContact O-N 3.23Å
658G90.1Very high86.3Confident67 Ų6753.1 Ų53.169%0.69132%0.315SS*.THydrogen-bonded Turntrans70.135.9169.300000115.4S654 I656 A660S654-G658 PolarHBondContact O-N 3.09Å; I656-G658 VanDerWaalsContact C-N 3.33Å; I656-G658 PolarHBondContact O-N 3.42Å; G658-A660 VanDerWaalsContact C-N 3.31Å
659L89.9Confident85.4Confident77 Ų7750.7 Ų50.740%0.40330%0.303SS..THydrogen-bonded Turntrans67.221.5-172.6-54.2178.5000115W310 S654 F655W310-L659 HydrophobicContact CB-CD2 4.28Å; W310-L659 HydrophobicContact CD2-CD2 4.29Å; W310-L659 HydrophobicContact CG-CD2 3.97Å; S654-L659 VanDerWaalsContact O-CA 3.26Å; S654-L659 WeakPolarHBondContact O-CA 3.43Å; S654-L659 PolarHBondContact O-N 2.89Å; F655-L659 HydrophobicContact CD1-CD2 3.84Å; F655-L659 HydrophobicContact CE1-CD2 3.94Å
660A87.6Confident85Confident35 Ų3551.2 Ų51.229%0.28931%0.305SS..  trans-59.3143.516800000111.8S654 H657 G658S654-A660 WeakPolarHBondContact CA-O 3.25Å; S654-A660 VanDerWaalsContact CB-O 3.32Å; S654-A660 WeakPolarHBondContact CB-O 3.24Å; S654-A660 PolarHBondContact OG-O 3Å; H657-A660 HydrophobicContact CB-CB 3.97Å; H657-A660 VanDerWaalsContact O-CB 3.28Å; H657-A660 WeakPolarHBondContact O-CB 3.23Å; H657-A660 PolarHBondContact O-N 3.23Å; G658-A660 VanDerWaalsContact C-N 3.31Å
661P88.3Confident84.5Confident59 Ų5951.5 Ų51.538%0.38331%0.308SS..  trans-78163176.634.5-36.4000112.2V307 I308 M309V307-P661 HydrophobicContact CG1-CB 3.55Å; V307-P661 HydrophobicContact CG1-CG 3.82Å; I308-P661 WeakPolarHBondContact O-CA 3.49Å; I308-P661 WeakPolarHBondContact O-CB 3.24Å; M309-P661 HydrophobicContact SD-CB 3.77Å; M309-P661 HydrophobicContact SD-CG 4.47Å
662V87.4Confident84.1Confident16 Ų1650.7 Ų50.710%0.09730%0.304CS..EExtended strand (participates in β ladder)trans-103.1115.7175.9-178.30000109.1V307 I308 W650 Y653V307-V662 CarbonylContact C-O 3.5Å; V307-V662 WeakPolarHBondContact CA-O 3.38Å; I308-V662 PolarHBondContact N-O 3.35Å; I308-V662 PolarHBondContact O-N 3.05Å; W650-V662 HydrophobicContact CB-CG2 4.13Å; W650-V662 HydrophobicContact CG-CG2 4.43Å; Y653-V662 HydrophobicContact CD1-CG2 3.61Å; Y653-V662 HydrophobicContact CE1-CG2 4.23Å; Y653-V662 HydrophobicContact CG-CG2 4.24Å
663A84.1Confident83.8Confident82 Ų8247.1 Ų47.168%0.67829%0.285SS*.EExtended strand (participates in β ladder)trans-75.5139.8171.700000110.5
664V82.3Confident83.6Confident8 Ų845.9 Ų45.95%0.04828%0.284CS..  trans-126125.4-178.7176.80000109.2I252 F303 N306 I308 L669I252-V664 HydrophobicContact CD1-CG1 3.67Å; I252-V664 HydrophobicContact CD1-CG2 4.04Å; F303-V664 HydrophobicContact CD1-CG1 4.28Å; F303-V664 HydrophobicContact CE1-CG1 3.73Å; F303-V664 HydrophobicContact CZ-CG1 4.25Å; N306-V664 PolarHBondContact O-N 3.21Å; I308-V664 HydrophobicContact CG1-CG2 3.88Å; V664-L669 HydrophobicContact CG1-CD2 3.72Å
665S70Confident83.4Confident84 Ų8447.6 Ų47.659%0.58729%0.293SS*.  trans-72.1132.8179-66.90000110N249N249-S665 WeakPolarHBondContact ND2-CB 3.37Å; N249-S665 PolarHBondContact ND2-N 2.71Å; N249-S665 PolarHBondContact ND2-O 3.15Å
666S59.3Low83.2Confident30 Ų3042 Ų4221%0.2127%0.268CS..  trans-111.6-40.9-144.352.10000117.4N306 G668 F670N306-S666 VanDerWaalsContact CG-CB 3.5Å; N306-S666 WeakPolarHBondContact OD1-CB 3.43Å; S666-G668 PolarHBondContact O-N 3.4Å; S666-F670 VanDerWaalsContact O-CB 3.24Å; S666-F670 WeakPolarHBondContact O-CB 3.49Å; S666-F670 PolarHBondContact O-N 2.91Å
667N65.3Low83.2Confident116 Ų11638.9 Ų38.962%0.6225%0.251SS*.Hα-helixtrans-64.1-44.8-160-71-6.2000115.4
668G72.9Confident83.2Confident7 Ų739.1 Ų39.17%0.07226%0.255CS..Hα-helixtrans-81.1-47.8175.500000111.9S666 F670 C671 A672 E717S666-G668 PolarHBondContact O-N 3.4Å; G668-F670 PolarHBondContact O-N 2.87Å; G668-C671 CarbonylContact O-C 3.58Å; G668-C671 WeakPolarHBondContact O-CA 2.91Å; G668-C671 VanDerWaalsContact O-CB 3.27Å; G668-C671 WeakPolarHBondContact O-CB 3.27Å; G668-C671 PolarHBondContact O-N 3.24Å; G668-A672 PolarHBondContact O-N 2.85Å; G668-E717 WeakPolarHBondContact CA-OE2 3.27Å
669L77.1Confident83.2Confident5 Ų537.1 Ų37.13%0.02623%0.228CC..Hα-helixtrans-60.7-42.1-175.8-174.759.3000114.6N249 I252 F303 V664 C671 A672 I673N249-L669 HydrophobicContact CB-CD2 4.16Å; N249-L669 VanDerWaalsContact ND2-CD2 3.34Å; N249-L669 WeakPolarHBondContact ND2-CD2 3.43Å; I252-L669 HydrophobicContact CB-CD1 4.3Å; I252-L669 HydrophobicContact CB-CD2 3.92Å; I252-L669 HydrophobicContact CD1-CD2 3.86Å; I252-L669 HydrophobicContact CG1-CD2 4.48Å; I252-L669 HydrophobicContact CG2-CD1 3.93Å; I252-L669 HydrophobicContact CG2-CD2 3.86Å; I252-L669 HydrophobicContact CG2-CG 4.29Å; F303-L669 HydrophobicContact CE1-CD2 4.05Å; F303-L669 HydrophobicContact CE1-CG 4.22Å; V664-L669 HydrophobicContact CG1-CD2 3.72Å; L669-C671 VanDerWaalsContact C-N 3.29Å; L669-C671 PolarHBondContact O-N 3.32Å; L669-A672 PolarHBondContact O-N 2.81Å; L669-I673 WeakPolarHBondContact O-CG1 3.29Å; L669-I673 PolarHBondContact O-N 3.47Å; L669-I673 VanDerWaalsContact O-N 3.1Å
670F84.3Confident83.2Confident10 Ų1033.7 Ų33.74%0.04421%0.21CC..Hα-helixtrans-61.5-40.8173.4176.2-98.2000111.1I300 F303 L304 S666 G668 A672 I673 V674 V725 I727I300-F670 HydrophobicContact CG2-CE2 3.95Å; I300-F670 HydrophobicContact CG2-CZ 4.2Å; F303-F670 HydrophobicContact CB-CD2 3.84Å; F303-F670 HydrophobicContact CB-CE2 4.44Å; L304-F670 HydrophobicContact CD2-CE2 3.89Å; L304-F670 HydrophobicContact CD2-CZ 3.93Å; S666-F670 VanDerWaalsContact O-CB 3.24Å; S666-F670 WeakPolarHBondContact O-CB 3.49Å; S666-F670 PolarHBondContact O-N 2.91Å; G668-F670 PolarHBondContact O-N 2.87Å; F670-A672 VanDerWaalsContact C-N 3.34Å; F670-A672 PolarHBondContact O-N 3.45Å; F670-I673 PolarHBondContact O-N 2.89Å; F670-V674 HydrophobicContact CD1-CG2 4.27Å; F670-V674 HydrophobicContact CE1-CG2 3.81Å; F670-V674 HydrophobicContact CE2-CG2 4.32Å; F670-V674 HydrophobicContact CZ-CG2 3.85Å; F670-V674 WeakPolarHBondContact O-CG2 3.38Å; F670-V674 PolarHBondContact O-N 3.39Å; F670-V725 HydrophobicContact CE1-CB 4.09Å; F670-V725 HydrophobicContact CE1-CG1 3.76Å; F670-V725 HydrophobicContact CZ-CG1 4.47Å; F670-I727 HydrophobicContact CD1-CD1 3.81Å; F670-I727 HydrophobicContact CD1-CG1 4.37Å; F670-I727 HydrophobicContact CD2-CD1 3.91Å; F670-I727 HydrophobicContact CE1-CD1 3.89Å; F670-I727 HydrophobicContact CE1-CG1 4.11Å; F670-I727 HydrophobicContact CE2-CD1 3.97Å; F670-I727 HydrophobicContact CG-CD1 3.82Å; F670-I727 HydrophobicContact CZ-CD1 3.97Å; F670-I727 HydrophobicContact CZ-CG1 4.32Å
671C84.8Confident83.3Confident9 Ų935 Ų356%0.06121%0.211CC..Hα-helixtrans-63.7-39.5176-160.30000111.6G668 L669 I673 V674 L675 L716 C723G668-C671 CarbonylContact O-C 3.58Å; G668-C671 WeakPolarHBondContact O-CA 2.91Å; G668-C671 VanDerWaalsContact O-CB 3.27Å; G668-C671 WeakPolarHBondContact O-CB 3.27Å; G668-C671 PolarHBondContact O-N 3.24Å; L669-C671 VanDerWaalsContact C-N 3.29Å; L669-C671 PolarHBondContact O-N 3.32Å; C671-I673 PolarHBondContact O-N 2.9Å; C671-V674 PolarHBondContact O-N 2.82Å; C671-L675 WeakPolarHBondContact O-CB 3.33Å; C671-L675 WeakPolarHBondContact O-CG 3.43Å; C671-L675 PolarHBondContact O-N 3.4Å; C671-L716 HydrophobicContact CB-CD1 4.09Å; C671-L716 HydrophobicContact CB-CD2 4.34Å; C671-L716 VanDerWaalsContact SG-CD1 3.53Å; C671-C723 HydrophobicContact CB-CB 4.08Å; C671-C723 VanDerWaalsContact CB-SG 3.57Å
672A84.6Confident83.5Confident5 Ų536.7 Ų36.74%0.04121%0.213CC..Hα-helixtrans-62.6-40.1176.700000112.5V256 L603 G668 L669 F670 L675 L676V256-A672 HydrophobicContact CG1-CB 4.14Å; L603-A672 HydrophobicContact CD1-CB 4.13Å; G668-A672 PolarHBondContact O-N 2.85Å; L669-A672 PolarHBondContact O-N 2.81Å; F670-A672 VanDerWaalsContact C-N 3.34Å; F670-A672 PolarHBondContact O-N 3.45Å; A672-L675 PolarHBondContact O-N 3.4Å; A672-L676 WeakPolarHBondContact O-CB 3.45Å; A672-L676 PolarHBondContact O-N 2.77Å
673I88Confident83.5Confident1 Ų136.3 Ų36.31%0.00521%0.211CC..Hα-helixtrans-67.3-42.6175.5-63165.9000111V256 L299 I300 F303 L669 F670 C671 L675 L676 F677V256-I673 HydrophobicContact CG2-CD1 4.49Å; V256-I673 HydrophobicContact CG2-CG1 3.76Å; L299-I673 HydrophobicContact CD2-CD1 4.05Å; L299-I673 HydrophobicContact CD2-CG1 4.47Å; L299-I673 HydrophobicContact CD2-CG2 4.03Å; L299-I673 HydrophobicContact CG-CD1 4.49Å; I300-I673 HydrophobicContact CD1-CG2 4.3Å; I300-I673 HydrophobicContact CG1-CG2 3.63Å; F303-I673 HydrophobicContact CD1-CD1 3.52Å; F303-I673 HydrophobicContact CE1-CD1 3.39Å; F303-I673 HydrophobicContact CE2-CD1 4.47Å; F303-I673 HydrophobicContact CG-CD1 4.13Å; F303-I673 HydrophobicContact CZ-CD1 3.91Å; L669-I673 WeakPolarHBondContact O-CG1 3.29Å; L669-I673 PolarHBondContact O-N 3.47Å; L669-I673 VanDerWaalsContact O-N 3.1Å; F670-I673 PolarHBondContact O-N 2.89Å; C671-I673 PolarHBondContact O-N 2.9Å; I673-L675 VanDerWaalsContact C-N 3.34Å; I673-L675 PolarHBondContact O-N 2.89Å; I673-L676 PolarHBondContact O-N 2.83Å; I673-F677 PolarHBondContact O-N 2.78Å
674V89.1Confident83.7Confident32 Ų3234.3 Ų34.319%0.19419%0.188CC..Hα-helixtrans-64-39.1175172.30000111.4I300 F670 C671 F677 L678I300-V674 HydrophobicContact CD1-CG2 4.33Å; I300-V674 HydrophobicContact CG1-CG2 4.43Å; I300-V674 HydrophobicContact CG2-CG2 4.5Å; F670-V674 HydrophobicContact CD1-CG2 4.27Å; F670-V674 HydrophobicContact CE1-CG2 3.81Å; F670-V674 HydrophobicContact CE2-CG2 4.32Å; F670-V674 HydrophobicContact CZ-CG2 3.85Å; F670-V674 WeakPolarHBondContact O-CG2 3.38Å; F670-V674 PolarHBondContact O-N 3.39Å; C671-V674 PolarHBondContact O-N 2.82Å; V674-F677 PolarHBondContact O-N 2.83Å; V674-L678 HydrophobicContact CG1-CD1 4.33Å; V674-L678 WeakPolarHBondContact O-CG 3.48Å; V674-L678 PolarHBondContact O-N 3.08Å; V674-L678 VanDerWaalsContact O-N 3.09Å
675L88.4Confident84.1Confident35 Ų3539.4 Ų39.418%0.18321%0.214CC..Hα-helixtrans-62.3-49172.4-76.4178000111.3C671 A672 I673 F677 L678 M679 F709 L712 L716C671-L675 WeakPolarHBondContact O-CB 3.33Å; C671-L675 WeakPolarHBondContact O-CG 3.43Å; C671-L675 PolarHBondContact O-N 3.4Å; A672-L675 PolarHBondContact O-N 3.4Å; I673-L675 VanDerWaalsContact C-N 3.34Å; I673-L675 PolarHBondContact O-N 2.89Å; L675-F677 VanDerWaalsContact C-N 3.26Å; L675-F677 PolarHBondContact O-N 3.43Å; L675-L678 PolarHBondContact O-N 2.83Å; L675-M679 VanDerWaalsContact O-CG 3.25Å; L675-M679 WeakPolarHBondContact O-CG 3.46Å; L675-M679 PolarHBondContact O-N 3.21Å; L675-F709 HydrophobicContact CB-CD2 4.24Å; L675-F709 HydrophobicContact CB-CE2 4.07Å; L675-L712 HydrophobicContact CD1-CB 4.35Å; L675-L716 HydrophobicContact CD1-CD1 3.56Å
676L89.8Confident84.9Confident5 Ų536.1 Ų36.13%0.02619%0.191CC..Hα-helixtrans-54.2-42.3176.5169.5158.9000111.6V256 A259 V260 L296 A672 I673 M679 L680V256-L676 HydrophobicContact CG1-CD1 4.06Å; A259-L676 HydrophobicContact CB-CD1 3.68Å; V260-L676 HydrophobicContact CG2-CB 3.91Å; V260-L676 HydrophobicContact CG2-CD1 3.81Å; V260-L676 HydrophobicContact CG2-CG 3.91Å; L296-L676 HydrophobicContact CD1-CD2 3.4Å; L296-L676 HydrophobicContact CD2-CD2 3.41Å; L296-L676 VanDerWaalsContact CD2-CD2 3.41Å; L296-L676 HydrophobicContact CG-CD2 4.04Å; A672-L676 WeakPolarHBondContact O-CB 3.45Å; A672-L676 PolarHBondContact O-N 2.77Å; I673-L676 PolarHBondContact O-N 2.83Å; L676-M679 PolarHBondContact O-N 3.44Å; L676-L680 WeakPolarHBondContact O-CB 3.38Å; L676-L680 PolarHBondContact O-N 3.03Å
677F92.1Very high86.2Confident41 Ų4135 Ų3518%0.1818%0.183CC..Hα-helixtrans-62.5-43.2175.1177-94.6000112.6I293 L296 I297 I300 I673 V674 L675 L681I293-F677 HydrophobicContact CG2-CE2 4.22Å; L296-F677 HydrophobicContact CB-CD2 4.08Å; L296-F677 HydrophobicContact CD1-CD2 4.33Å; I297-F677 HydrophobicContact CD1-CE2 4.07Å; I297-F677 HydrophobicContact CD1-CZ 4.27Å; I297-F677 HydrophobicContact CG1-CE2 3.71Å; I297-F677 HydrophobicContact CG1-CZ 4.13Å; I300-F677 HydrophobicContact CD1-CB 4.01Å; I300-F677 HydrophobicContact CD1-CD2 4.47Å; I300-F677 HydrophobicContact CD1-CG 4.19Å; I673-F677 PolarHBondContact O-N 2.78Å; V674-F677 PolarHBondContact O-N 2.83Å; L675-F677 VanDerWaalsContact C-N 3.26Å; L675-F677 PolarHBondContact O-N 3.43Å; F677-L681 HydrophobicContact CD1-CD1 4.18Å; F677-L681 HydrophobicContact CE1-CD1 3.62Å; F677-L681 HydrophobicContact CE1-CG 4.41Å; F677-L681 HydrophobicContact CZ-CD1 4.05Å; F677-L681 WeakPolarHBondContact O-CG 3.23Å; F677-L681 PolarHBondContact O-N 2.92Å
678L91.3Very high87.2Confident97 Ų9731.7 Ų31.751%0.50817%0.171SC..Hα-helixtrans-67.1-37.6176.2-67.9171.1000112.4V674 L675 L681 F682V674-L678 HydrophobicContact CG1-CD1 4.33Å; V674-L678 WeakPolarHBondContact O-CG 3.48Å; V674-L678 PolarHBondContact O-N 3.08Å; V674-L678 VanDerWaalsContact O-N 3.09Å; L675-L678 PolarHBondContact O-N 2.83Å; L678-L681 PolarHBondContact O-N 3.19Å; L678-F682 PolarHBondContact O-N 2.91Å
679M89.9Confident87.9Confident26 Ų2635 Ų3513%0.12820%0.198CC..Hα-helixtrans-66.8-42.9176.9-65.1-61.1-77.200111.1L264 L675 L676 L681 F682 V683 L705 F709L264-M679 HydrophobicContact CD1-CE 3.6Å; L675-M679 VanDerWaalsContact O-CG 3.25Å; L675-M679 WeakPolarHBondContact O-CG 3.46Å; L675-M679 PolarHBondContact O-N 3.21Å; L676-M679 PolarHBondContact O-N 3.44Å; M679-L681 VanDerWaalsContact C-N 3.32Å; M679-L681 PolarHBondContact O-N 3.38Å; M679-F682 WeakPolarHBondContact O-CB 3.43Å; M679-F682 PolarHBondContact O-N 3.1Å; M679-F682 VanDerWaalsContact O-N 3.09Å; M679-V683 VanDerWaalsContact O-CG2 3.26Å; M679-V683 WeakPolarHBondContact O-CG2 3.33Å; M679-V683 PolarHBondContact O-N 2.8Å; M679-L705 HydrophobicContact CE-CB 3.61Å; M679-L705 HydrophobicContact CE-CD2 3.83Å; M679-L705 HydrophobicContact CE-CG 4.26Å; M679-L705 VanDerWaalsContact CE-O 3.29Å; M679-L705 WeakPolarHBondContact CE-O 3.34Å; M679-F709 HydrophobicContact CE-CB 4.17Å; M679-F709 HydrophobicContact CG-CD2 4.41Å
680L90.6Very high88.3Confident5 Ų536.8 Ų36.83%0.02621%0.21CC..Hα-helixtrans-54.2-47.1171.4172.666.9000111.6I263 V289 Y292 I293 L296 L676 F682 V683 I684I263-L680 HydrophobicContact CD1-CD1 4.07Å; V289-L680 HydrophobicContact CG1-CD1 4.28Å; Y292-L680 HydrophobicContact CD1-CD1 3.92Å; Y292-L680 HydrophobicContact CD1-CD2 3.43Å; Y292-L680 VanDerWaalsContact CD1-CD2 3.43Å; Y292-L680 HydrophobicContact CD1-CG 4.29Å; Y292-L680 HydrophobicContact CE1-CD1 4.13Å; Y292-L680 HydrophobicContact CE1-CD2 3.75Å; Y292-L680 HydrophobicContact CE1-CG 4.43Å; Y292-L680 HydrophobicContact CG-CD2 4.47Å; I293-L680 HydrophobicContact CG1-CD2 3.66Å; L296-L680 HydrophobicContact CD1-CD2 3.71Å; L676-L680 WeakPolarHBondContact O-CB 3.38Å; L676-L680 PolarHBondContact O-N 3.03Å; L680-F682 VanDerWaalsContact C-N 3.34Å; L680-F682 PolarHBondContact O-N 3.41Å; L680-V683 PolarHBondContact O-N 3.3Å; L680-I684 HydrophobicContact CD1-CD1 4.21Å; L680-I684 HydrophobicContact CD1-CG1 4.48Å; L680-I684 HydrophobicContact CG-CD1 4.06Å; L680-I684 WeakPolarHBondContact O-CD1 3.32Å; L680-I684 VanDerWaalsContact O-CG1 3.25Å; L680-I684 WeakPolarHBondContact O-CG1 3.19Å; L680-I684 PolarHBondContact O-N 3.27Å; L680-I684 VanDerWaalsContact O-N 3.09Å
681L90.8Very high88.4Confident61 Ų6144.5 Ų44.532%0.31924%0.244SC..Hα-helixtrans-60.4-41.9175.6-67.8178.1000112.2I293 F677 L678 M679 V683 I684 I685I293-L681 HydrophobicContact CD1-CD2 4.16Å; F677-L681 HydrophobicContact CD1-CD1 4.18Å; F677-L681 HydrophobicContact CE1-CD1 3.62Å; F677-L681 HydrophobicContact CE1-CG 4.41Å; F677-L681 HydrophobicContact CZ-CD1 4.05Å; F677-L681 WeakPolarHBondContact O-CG 3.23Å; F677-L681 PolarHBondContact O-N 2.92Å; L678-L681 PolarHBondContact O-N 3.19Å; M679-L681 VanDerWaalsContact C-N 3.32Å; M679-L681 PolarHBondContact O-N 3.38Å; L681-V683 VanDerWaalsContact C-N 3.35Å; L681-V683 PolarHBondContact O-N 2.87Å; L681-I684 HydrophobicContact CD2-CD1 4.35Å; L681-I684 PolarHBondContact O-N 2.98Å; L681-I685 WeakPolarHBondContact O-CB 3.39Å; L681-I685 WeakPolarHBondContact O-CD1 3.19Å; L681-I685 VanDerWaalsContact O-CG1 3.23Å; L681-I685 WeakPolarHBondContact O-CG1 3.37Å; L681-I685 PolarHBondContact O-N 2.9Å
682F90.5Very high88.4Confident96 Ų9646.8 Ų46.842%0.42125%0.251SS..Hα-helixtrans-61.6-40.9176.3-166.1-77.9000112.5L678 M679 L680 I685 S686 L705L678-F682 PolarHBondContact O-N 2.91Å; M679-F682 WeakPolarHBondContact O-CB 3.43Å; M679-F682 PolarHBondContact O-N 3.1Å; M679-F682 VanDerWaalsContact O-N 3.09Å; L680-F682 VanDerWaalsContact C-N 3.34Å; L680-F682 PolarHBondContact O-N 3.41Å; F682-I685 PolarHBondContact O-N 3.37Å; F682-S686 WeakPolarHBondContact CD1-OG 3.36Å; F682-S686 WeakPolarHBondContact CE1-OG 3.18Å; F682-S686 WeakPolarHBondContact O-CB 3.27Å; F682-S686 PolarHBondContact O-N 2.81Å; F682-S686 PolarHBondContact O-OG 3.44Å; F682-L705 HydrophobicContact CD1-CD1 3.46Å; F682-L705 VanDerWaalsContact CD1-CD1 3.46Å; F682-L705 HydrophobicContact CD1-CD2 3.88Å; F682-L705 HydrophobicContact CD1-CG 4.32Å; F682-L705 HydrophobicContact CE1-CD1 3.59Å; F682-L705 HydrophobicContact CE1-CD2 3.9Å; F682-L705 HydrophobicContact CE1-CG 4.28Å; F682-L705 HydrophobicContact CG-CD2 4.35Å; F682-L705 HydrophobicContact CZ-CD2 4.33Å
683V88.9Confident88.5Confident7 Ų750 Ų504%0.04226%0.264CS..Hα-helixtrans-63.5-47178.6173.20000111I263 L264 M679 L680 L681 I685 S686 I687 M702I263-V683 HydrophobicContact CG2-CB 4.27Å; I263-V683 HydrophobicContact CG2-CG1 4.24Å; I263-V683 HydrophobicContact CG2-CG2 3.72Å; L264-V683 HydrophobicContact CD2-CG2 3.33Å; M679-V683 VanDerWaalsContact O-CG2 3.26Å; M679-V683 WeakPolarHBondContact O-CG2 3.33Å; M679-V683 PolarHBondContact O-N 2.8Å; L680-V683 PolarHBondContact O-N 3.3Å; L681-V683 VanDerWaalsContact C-N 3.35Å; L681-V683 PolarHBondContact O-N 2.87Å; V683-I685 VanDerWaalsContact C-N 3.33Å; V683-I685 PolarHBondContact O-N 3.47Å; V683-S686 WeakPolarHBondContact O-CB 3.48Å; V683-S686 PolarHBondContact O-N 3.04Å; V683-S686 VanDerWaalsContact O-N 3.15Å; V683-I687 HydrophobicContact CG1-CD1 3.77Å; V683-I687 HydrophobicContact CG1-CG1 4.47Å; V683-I687 WeakPolarHBondContact O-CG1 3.29Å; V683-I687 PolarHBondContact O-N 3.3Å; V683-M702 HydrophobicContact CB-SD 4.48Å; V683-M702 HydrophobicContact CG1-SD 4.33Å; V683-M702 HydrophobicContact CG2-SD 3.76Å
684I88.8Confident88.2Confident40 Ų4050 Ų5021%0.20526%0.264CS..Hα-helixtrans-59.2-46176.7-60.3157.1000110.7V289 I293 L680 L681 S686 I687 A688V289-I684 HydrophobicContact CG1-CD1 3.29Å; V289-I684 HydrophobicContact CG1-CG1 3.82Å; I293-I684 HydrophobicContact CD1-CD1 3.91Å; L680-I684 HydrophobicContact CD1-CD1 4.21Å; L680-I684 HydrophobicContact CD1-CG1 4.48Å; L680-I684 HydrophobicContact CG-CD1 4.06Å; L680-I684 WeakPolarHBondContact O-CD1 3.32Å; L680-I684 VanDerWaalsContact O-CG1 3.25Å; L680-I684 WeakPolarHBondContact O-CG1 3.19Å; L680-I684 PolarHBondContact O-N 3.27Å; L680-I684 VanDerWaalsContact O-N 3.09Å; L681-I684 HydrophobicContact CD2-CD1 4.35Å; L681-I684 PolarHBondContact O-N 2.98Å; I684-S686 VanDerWaalsContact C-N 3.29Å; I684-S686 PolarHBondContact O-N 2.94Å; I684-I687 PolarHBondContact O-N 3.37Å; I684-A688 VanDerWaalsContact O-CB 3.26Å; I684-A688 WeakPolarHBondContact O-CB 3.44Å; I684-A688 PolarHBondContact O-N 3.5Å
685I89.3Confident88.1Confident116 Ų11651.4 Ų51.460%0.59527%0.27SS*.Hα-helixtrans-61.2-40.6177.7-69.8165.4000110.5L681 F682 V683 A688 A689L681-I685 WeakPolarHBondContact O-CB 3.39Å; L681-I685 WeakPolarHBondContact O-CD1 3.19Å; L681-I685 VanDerWaalsContact O-CG1 3.23Å; L681-I685 WeakPolarHBondContact O-CG1 3.37Å; L681-I685 PolarHBondContact O-N 2.9Å; F682-I685 PolarHBondContact O-N 3.37Å; V683-I685 VanDerWaalsContact C-N 3.33Å; V683-I685 PolarHBondContact O-N 3.47Å; I685-A688 PolarHBondContact O-N 2.83Å; I685-A689 VanDerWaalsContact O-CB 3.27Å; I685-A689 WeakPolarHBondContact O-CB 3.36Å; I685-A689 PolarHBondContact O-N 2.9Å
686S88.1Confident88.1Confident15 Ų1555.5 Ų55.511%0.10529%0.287CS..Hα-helixtrans-67.3-45.3179.5-59.70000112.7F682 V683 I684 A688 A689 C690F682-S686 WeakPolarHBondContact CD1-OG 3.36Å; F682-S686 WeakPolarHBondContact CE1-OG 3.18Å; F682-S686 WeakPolarHBondContact O-CB 3.27Å; F682-S686 PolarHBondContact O-N 2.81Å; F682-S686 PolarHBondContact O-OG 3.44Å; V683-S686 WeakPolarHBondContact O-CB 3.48Å; V683-S686 PolarHBondContact O-N 3.04Å; V683-S686 VanDerWaalsContact O-N 3.15Å; I684-S686 VanDerWaalsContact C-N 3.29Å; I684-S686 PolarHBondContact O-N 2.94Å; S686-A688 VanDerWaalsContact C-N 3.35Å; S686-A689 PolarHBondContact O-N 3.26Å; S686-C690 WeakPolarHBondContact O-CB 3.37Å; S686-C690 PolarHBondContact O-N 3.02Å; S686-C690 PolarHBondContact O-SG 2.93Å
687I86.9Confident88.1Confident7 Ų760.5 Ų60.54%0.03632%0.318CS..Hα-helixtrans-64-41176-65.5167.7000110.7L280 L285 V683 I684 C690 K691 W692 L698L280-I687 HydrophobicContact CD1-CG2 4Å; L285-I687 HydrophobicContact CD1-CD1 4.17Å; V683-I687 HydrophobicContact CG1-CD1 3.77Å; V683-I687 HydrophobicContact CG1-CG1 4.47Å; V683-I687 WeakPolarHBondContact O-CG1 3.29Å; V683-I687 PolarHBondContact O-N 3.3Å; I684-I687 PolarHBondContact O-N 3.37Å; I687-C690 CarbonylContact O-C 3.55Å; I687-C690 PolarHBondContact O-N 3.26Å; I687-K691 PolarHBondContact O-N 3.43Å; I687-W692 HydrophobicContact CG2-CD2 4.31Å; I687-W692 HydrophobicContact CG2-CE3 3.61Å; I687-W692 HydrophobicContact CG2-CH2 4.16Å; I687-W692 HydrophobicContact CG2-CZ3 3.53Å; I687-W692 PolarHBondContact O-N 3.11Å; I687-W692 VanDerWaalsContact O-N 3.15Å; I687-L698 HydrophobicContact CG1-CD2 4.16Å
688A86.3Confident87.9Confident45 Ų4559 Ų5937%0.37231%0.311SS..Hα-helixtrans-65.8-42.2176.100000112.3I684 I685 S686 C690 K691 W692I684-A688 VanDerWaalsContact O-CB 3.26Å; I684-A688 WeakPolarHBondContact O-CB 3.44Å; I684-A688 PolarHBondContact O-N 3.5Å; I685-A688 PolarHBondContact O-N 2.83Å; S686-A688 VanDerWaalsContact C-N 3.35Å; A688-C690 VanDerWaalsContact C-N 3.32Å; A688-C690 PolarHBondContact O-N 2.99Å; A688-K691 WeakPolarHBondContact O-CA 3.49Å; A688-K691 PolarHBondContact O-N 3.5Å; A688-W692 HydrophobicContact CB-CH2 4.47Å; A688-W692 HydrophobicContact CB-CZ2 3.84Å
689A87.3Confident87.9Confident77 Ų7754.4 Ų54.464%0.63629%0.287SS*.Hα-helixtrans-63-37.9174.700000112.1I685 S686 K691I685-A689 VanDerWaalsContact O-CB 3.27Å; I685-A689 WeakPolarHBondContact O-CB 3.36Å; I685-A689 PolarHBondContact O-N 2.9Å; S686-A689 PolarHBondContact O-N 3.26Å; A689-K691 PolarHBondContact O-N 2.92Å; A689-K691 VanDerWaalsContact O-N 3.16Å
690C85.6Confident88Confident42 Ų4259.8 Ų59.828%0.28431%0.31SS..THydrogen-bonded Turntrans-73.15.7171.9-65.40000114S686 I687 A688 W692 K693 L698S686-C690 WeakPolarHBondContact O-CB 3.37Å; S686-C690 PolarHBondContact O-N 3.02Å; S686-C690 PolarHBondContact O-SG 2.93Å; I687-C690 CarbonylContact O-C 3.55Å; I687-C690 PolarHBondContact O-N 3.26Å; A688-C690 VanDerWaalsContact C-N 3.32Å; A688-C690 PolarHBondContact O-N 2.99Å; C690-W692 VanDerWaalsContact C-N 3.29Å; C690-W692 PolarHBondContact O-N 3.03Å; C690-K693 WeakPolarHBondContact CB-O 3.03Å; C690-K693 PolarHBondContact O-N 3.44Å; C690-L698 HydrophobicContact CB-CD2 4.28Å
691K85.9Confident88.1Confident173 Ų17361.8 Ų61.875%0.75232%0.323SS*.THydrogen-bonded Turntrans55.939.2176.8-55.8175-176.8169.60113.2I687 A688 A689 K693I687-K691 PolarHBondContact O-N 3.43Å; A688-K691 WeakPolarHBondContact O-CA 3.49Å; A688-K691 PolarHBondContact O-N 3.5Å; A689-K691 PolarHBondContact O-N 2.92Å; A689-K691 VanDerWaalsContact O-N 3.16Å; K691-K693 PolarHBondContact O-N 3.31Å
692W84.9Confident88.1Confident56 Ų5659 Ų5921%0.21231%0.308CS..THydrogen-bonded Turntrans64.526.2177.7-4890.5000114L280 W282 L285 I687 A688 C690L280-W692 PolarHBondContact N-O 2.84Å; L280-W692 WeakPolarHBondContact O-CB 3.48Å; W282-W692 AromaticContact CD1-CE2 3.59Å; W282-W692 AromaticContact CD1-CH2 3.41Å; W282-W692 VanDerWaalsContact CD1-CH2 3.41Å; W282-W692 AromaticContact CD1-CZ2 3.29Å; W282-W692 AromaticContact CD1-CZ3 3.79Å; W282-W692 HydrophobicContact CG-CZ2 4.46Å; W282-W692 AromaticContact NE1-CH2 3.84Å; W282-W692 AromaticContact NE1-CZ2 3.7Å; L285-W692 HydrophobicContact CD1-CZ3 4.1Å; L285-W692 HydrophobicContact CD2-CH2 4.33Å; L285-W692 HydrophobicContact CD2-CZ3 3.94Å; L285-W692 HydrophobicContact CG-CZ3 4.48Å; I687-W692 HydrophobicContact CG2-CD2 4.31Å; I687-W692 HydrophobicContact CG2-CE3 3.61Å; I687-W692 HydrophobicContact CG2-CH2 4.16Å; I687-W692 HydrophobicContact CG2-CZ3 3.53Å; I687-W692 PolarHBondContact O-N 3.11Å; I687-W692 VanDerWaalsContact O-N 3.15Å; A688-W692 HydrophobicContact CB-CH2 4.47Å; A688-W692 HydrophobicContact CB-CZ2 3.84Å; C690-W692 VanDerWaalsContact C-N 3.29Å; C690-W692 PolarHBondContact O-N 3.03Å
693K85.3Confident88.2Confident74 Ų7455.7 Ų55.732%0.32229%0.293SS..EExtended strand (participates in β ladder)trans-109.3125.2166.4-74.9174.8160.6-70.30109.5I277 H279 C690 K691I277-K693 HydrophobicContact CG2-CB 3.9Å; I277-K693 HydrophobicContact CG2-CD 4.33Å; I277-K693 HydrophobicContact CG2-CG 4.05Å; H279-K693 PolarHBondContact CE1-NZ 2.77Å; H279-K693 VanDerWaalsContact CE1-NZ 3.32Å; H279-K693 PolarHBondContact NE2-NZ 3.33Å; C690-K693 WeakPolarHBondContact CB-O 3.03Å; C690-K693 PolarHBondContact O-N 3.44Å; K691-K693 PolarHBondContact O-N 3.31Å
694M81.7Confident88.4Confident1 Ų159.9 Ų59.91%0.00532%0.315CS..EExtended strand (participates in β ladder)trans-90.6107.7172.4-169.2155.480.800108.8I267 C270 A271 L278 L698I267-M694 HydrophobicContact CG2-SD 3.8Å; C270-M694 HydrophobicContact CB-CE 3.92Å; A271-M694 HydrophobicContact CB-CE 4.25Å; A271-M694 HydrophobicContact CB-CG 3.42Å; A271-M694 VanDerWaalsContact CB-CG 3.42Å; A271-M694 HydrophobicContact CB-SD 3.87Å; L278-M694 HydrophobicContact CB-CB 4.19Å; L278-M694 HydrophobicContact CB-CE 4.24Å; L278-M694 HydrophobicContact CD1-CE 3.53Å; L278-M694 PolarHBondContact O-N 3.43Å; M694-L698 HydrophobicContact CG-CD2 4.39Å
695N87.3Confident88.6Confident60 Ų6058.9 Ų58.932%0.32131%0.31SS..  trans-107.6156.8-179.9-63.7-15.1000109.9I277 V697 L698 G699I277-N695 VanDerWaalsContact CG2-OD1 3.31Å; I277-N695 WeakPolarHBondContact CG2-OD1 3.5Å; N695-V697 PolarHBondContact O-N 3.32Å; N695-L698 WeakPolarHBondContact O-CA 3.49Å; N695-L698 VanDerWaalsContact O-CB 3.3Å; N695-L698 WeakPolarHBondContact O-CB 3.41Å; N695-L698 PolarHBondContact O-N 2.84Å; N695-G699 PolarHBondContact O-N 3.2Å; N695-G699 VanDerWaalsContact O-N 3.14Å
696K89.6Confident88.8Confident121 Ų12154 Ų5453%0.52629%0.285SS..Hα-helixtrans-55-30.9176.4-51.9-154.8177.7-154.10114A271 L272 G699 F700A271-K696 WeakPolarHBondContact O-CA 3.38Å; A271-K696 WeakPolarHBondContact O-CG 3.35Å; L272-K696 HydrophobicContact CD2-CB 3.97Å; L272-K696 WeakPolarHBondContact CD2-O 3.26Å; L272-K696 VanDerWaalsContact O-CE 3.23Å; L272-K696 WeakPolarHBondContact O-CE 3.46Å; L272-K696 PolarHBondContact O-NZ 2.75Å; K696-G699 PolarHBondContact O-N 2.77Å; K696-F700 PolarHBondContact O-N 3.06Å
697V89.6Confident89Confident111 Ų11158.7 Ų58.767%0.67330%0.303SS*.Hα-helixtrans-65.8-37.4173.5-1790000112.7N695 T701N695-V697 PolarHBondContact O-N 3.32Å; V697-T701 PolarHBondContact O-N 3.32Å; V697-T701 VanDerWaalsContact O-N 3.1Å; V697-T701 PolarHBondContact O-OG1 3.36Å
698L88.6Confident89.2Confident9 Ų962.2 Ų62.25%0.04732%0.321CS..Hα-helixtrans-66.2-42.5172.6-175.562.7000110I687 C690 M694 N695 T701 M702I687-L698 HydrophobicContact CG1-CD2 4.16Å; C690-L698 HydrophobicContact CB-CD2 4.28Å; M694-L698 HydrophobicContact CG-CD2 4.39Å; N695-L698 WeakPolarHBondContact O-CA 3.49Å; N695-L698 VanDerWaalsContact O-CB 3.3Å; N695-L698 WeakPolarHBondContact O-CB 3.41Å; N695-L698 PolarHBondContact O-N 2.84Å; L698-T701 WeakPolarHBondContact O-CB 3.48Å; L698-T701 PolarHBondContact O-N 3.03Å; L698-T701 VanDerWaalsContact O-N 3.12Å; L698-M702 HydrophobicContact CD1-CE 3.53Å; L698-M702 HydrophobicContact CG-CE 4.27Å; L698-M702 WeakPolarHBondContact O-CG 3.46Å; L698-M702 PolarHBondContact O-N 3.12Å
699G91.3Very high89.4Confident0 Ų060.1 Ų60.10%030%0.304CS..Hα-helixtrans-54.8-54173.600000112.7N695 K696 T701 M702 F703N695-G699 PolarHBondContact O-N 3.2Å; N695-G699 VanDerWaalsContact O-N 3.14Å; K696-G699 PolarHBondContact O-N 2.77Å; G699-T701 PolarHBondContact O-N 3.49Å; G699-M702 WeakPolarHBondContact O-CB 3.36Å; G699-M702 PolarHBondContact O-N 2.93Å; G699-F703 WeakPolarHBondContact O-CD2 3.04Å; G699-F703 PolarHBondContact O-N 2.94Å; G699-F703 VanDerWaalsContact O-N 3.14Å
700F91.9Very high89.5Confident139 Ų13958 Ų5861%0.6128%0.281SS*.Hα-helixtrans-55.9-36.1175.4-174-95000113.1K696 F703 L704K696-F700 PolarHBondContact O-N 3.06Å; F700-F703 PolarHBondContact O-N 3.43Å; F700-L704 PolarHBondContact O-N 3.28Å; F700-L704 VanDerWaalsContact O-N 3.12Å
701T90.9Very high89.7Confident48 Ų4860 Ų6029%0.29429%0.292SS..Hα-helixtrans-65.8-38.7176.1-550000111.1V697 L698 G699 L704 L705V697-T701 PolarHBondContact O-N 3.32Å; V697-T701 VanDerWaalsContact O-N 3.1Å; V697-T701 PolarHBondContact O-OG1 3.36Å; L698-T701 WeakPolarHBondContact O-CB 3.48Å; L698-T701 PolarHBondContact O-N 3.03Å; L698-T701 VanDerWaalsContact O-N 3.12Å; G699-T701 PolarHBondContact O-N 3.49Å; T701-L704 PolarHBondContact O-N 2.8Å; T701-L705 HydrophobicContact CG2-CD1 4.21Å; T701-L705 WeakPolarHBondContact O-CB 3.31Å; T701-L705 WeakPolarHBondContact O-CD1 3.49Å; T701-L705 VanDerWaalsContact O-CG 3.24Å; T701-L705 WeakPolarHBondContact O-CG 3.37Å; T701-L705 PolarHBondContact O-N 2.78Å
702M91.7Very high89.8Confident3 Ų354.9 Ų54.92%0.01527%0.273CS..Hα-helixtrans-67.6-38.2176.8-61.1-57.213300113L264 V683 L698 G699 L705 Y706L264-M702 HydrophobicContact CD2-SD 3.73Å; L264-M702 VanDerWaalsContact O-CB 3.25Å; L264-M702 WeakPolarHBondContact O-CB 3.39Å; V683-M702 HydrophobicContact CB-SD 4.48Å; V683-M702 HydrophobicContact CG1-SD 4.33Å; V683-M702 HydrophobicContact CG2-SD 3.76Å; L698-M702 HydrophobicContact CD1-CE 3.53Å; L698-M702 HydrophobicContact CG-CE 4.27Å; L698-M702 WeakPolarHBondContact O-CG 3.46Å; L698-M702 PolarHBondContact O-N 3.12Å; G699-M702 WeakPolarHBondContact O-CB 3.36Å; G699-M702 PolarHBondContact O-N 2.93Å; M702-L705 HydrophobicContact CE-CD1 3.94Å; M702-L705 WeakPolarHBondContact O-CB 3.48Å; M702-L705 PolarHBondContact O-N 2.66Å; M702-L705 HydrophobicContact SD-CD1 3.83Å; M702-Y706 WeakPolarHBondContact O-CB 3.3Å; M702-Y706 PolarHBondContact O-N 2.7Å
703F92.8Very high89.8Confident25 Ų2552.6 Ų52.611%0.1127%0.265CS..Hα-helixtrans-63.6-44.5172-68.8-75.9000112.6F265 G268 M269 L272 G699 F700 L705 Y706 F707F265-F703 HydrophobicContact CD1-CE1 4.21Å; F265-F703 AromaticContact CD2-CD1 3.75Å; F265-F703 HydrophobicContact CD2-CD1 3.75Å; F265-F703 AromaticContact CD2-CE1 3.64Å; F265-F703 HydrophobicContact CD2-CE1 3.64Å; F265-F703 HydrophobicContact CE1-CE1 4.19Å; F265-F703 AromaticContact CE2-CD1 3.86Å; F265-F703 HydrophobicContact CE2-CD1 3.86Å; F265-F703 AromaticContact CE2-CE1 3.63Å; F265-F703 HydrophobicContact CE2-CE1 3.63Å; F265-F703 HydrophobicContact CG-CD1 4.38Å; F265-F703 AromaticContact CG-CE1 3.94Å; F265-F703 HydrophobicContact CG-CE1 3.94Å; F265-F703 AromaticContact CZ-CE1 3.91Å; F265-F703 HydrophobicContact CZ-CE1 3.91Å; G268-F703 VanDerWaalsContact C-CZ 3.46Å; G268-F703 WeakPolarHBondContact O-CE2 3.47Å; M269-F703 HydrophobicContact CB-CZ 4.29Å; M269-F703 HydrophobicContact CG-CE1 3.96Å; M269-F703 HydrophobicContact CG-CZ 3.59Å; M269-F703 VanDerWaalsContact N-CZ 3.35Å; M269-F703 HydrophobicContact SD-CE1 4.04Å; M269-F703 HydrophobicContact SD-CZ 3.63Å; L272-F703 HydrophobicContact CD1-CD2 4Å; L272-F703 HydrophobicContact CD1-CE2 3.33Å; L272-F703 HydrophobicContact CD1-CZ 4.06Å; L272-F703 HydrophobicContact CG-CE2 3.84Å; G699-F703 WeakPolarHBondContact O-CD2 3.04Å; G699-F703 PolarHBondContact O-N 2.94Å; G699-F703 VanDerWaalsContact O-N 3.14Å; F700-F703 PolarHBondContact O-N 3.43Å; F703-L705 VanDerWaalsContact C-N 3.27Å; F703-L705 PolarHBondContact O-N 3.2Å; F703-Y706 WeakPolarHBondContact O-CB 3.4Å; F703-Y706 PolarHBondContact O-N 2.92Å; F703-Y706 VanDerWaalsContact O-N 3.1Å; F703-F707 HydrophobicContact CB-CD2 4.5Å; F703-F707 HydrophobicContact CB-CE2 4.27Å; F703-F707 WeakPolarHBondContact O-CD2 3.3Å; F703-F707 PolarHBondContact O-N 2.92Å
704L93Very high89.9Confident95 Ų9551.1 Ų51.150%0.49726%0.262SS..Hα-helixtrans-59.3-42.3177.5-179.560.4000111.2F700 T701 I708F700-L704 PolarHBondContact O-N 3.28Å; F700-L704 VanDerWaalsContact O-N 3.12Å; T701-L704 PolarHBondContact O-N 2.8Å; L704-I708 HydrophobicContact CD1-CD1 4.14Å; L704-I708 HydrophobicContact CG-CD1 3.97Å; L704-I708 WeakPolarHBondContact O-CB 3.3Å; L704-I708 WeakPolarHBondContact O-CD1 3.18Å; L704-I708 WeakPolarHBondContact O-CG1 3.21Å; L704-I708 PolarHBondContact O-N 3.37Å
705L91.9Very high90.1Very high19 Ų1954.1 Ų54.110%0.09928%0.277CS..Hα-helixtrans-61.5-41.9173.1-73.9168.1000112.6L264 M679 F682 T701 M702 F703 I708 F709L264-L705 HydrophobicContact CD1-CB 4.06Å; L264-L705 HydrophobicContact CD2-CB 4.15Å; L264-L705 HydrophobicContact CD2-CD1 4.34Å; M679-L705 HydrophobicContact CE-CB 3.61Å; M679-L705 HydrophobicContact CE-CD2 3.83Å; M679-L705 HydrophobicContact CE-CG 4.26Å; M679-L705 VanDerWaalsContact CE-O 3.29Å; M679-L705 WeakPolarHBondContact CE-O 3.34Å; F682-L705 HydrophobicContact CD1-CD1 3.46Å; F682-L705 VanDerWaalsContact CD1-CD1 3.46Å; F682-L705 HydrophobicContact CD1-CD2 3.88Å; F682-L705 HydrophobicContact CD1-CG 4.32Å; F682-L705 HydrophobicContact CE1-CD1 3.59Å; F682-L705 HydrophobicContact CE1-CD2 3.9Å; F682-L705 HydrophobicContact CE1-CG 4.28Å; F682-L705 HydrophobicContact CG-CD2 4.35Å; F682-L705 HydrophobicContact CZ-CD2 4.33Å; T701-L705 HydrophobicContact CG2-CD1 4.21Å; T701-L705 WeakPolarHBondContact O-CB 3.31Å; T701-L705 WeakPolarHBondContact O-CD1 3.49Å; T701-L705 VanDerWaalsContact O-CG 3.24Å; T701-L705 WeakPolarHBondContact O-CG 3.37Å; T701-L705 PolarHBondContact O-N 2.78Å; M702-L705 HydrophobicContact CE-CD1 3.94Å; M702-L705 WeakPolarHBondContact O-CB 3.48Å; M702-L705 PolarHBondContact O-N 2.66Å; M702-L705 HydrophobicContact SD-CD1 3.83Å; F703-L705 VanDerWaalsContact C-N 3.27Å; F703-L705 PolarHBondContact O-N 3.2Å; L705-I708 PolarHBondContact O-N 3.3Å; L705-F709 PolarHBondContact O-N 2.8Å
706Y93.4Very high90Very high15 Ų1552 Ų526%0.05927%0.266CS..Hα-helixtrans-62.3-48.4177.8177-104000111.8V260 F261 L264 F265 M702 F703 I708 F709 L710V260-Y706 HydrophobicContact CG1-CD2 4.27Å; F261-Y706 HydrophobicContact CB-CE2 4.16Å; F261-Y706 AromaticContact CD2-CE2 3.99Å; F261-Y706 HydrophobicContact CD2-CE2 3.99Å; F261-Y706 AromaticContact CD2-CZ 3.83Å; L264-Y706 HydrophobicContact CB-CD2 4.35Å; F265-Y706 HydrophobicContact CB-CD2 4.34Å; F265-Y706 HydrophobicContact CB-CG 4.39Å; F265-Y706 AromaticContact CD2-CD1 3.75Å; F265-Y706 HydrophobicContact CD2-CD1 3.75Å; F265-Y706 AromaticContact CD2-CE1 3.79Å; F265-Y706 HydrophobicContact CD2-CE1 3.79Å; F265-Y706 HydrophobicContact CD2-CG 4.33Å; F265-Y706 HydrophobicContact CE2-CE1 4.43Å; M702-Y706 WeakPolarHBondContact O-CB 3.3Å; M702-Y706 PolarHBondContact O-N 2.7Å; F703-Y706 WeakPolarHBondContact O-CB 3.4Å; F703-Y706 PolarHBondContact O-N 2.92Å; F703-Y706 VanDerWaalsContact O-N 3.1Å; Y706-I708 VanDerWaalsContact C-N 3.34Å; Y706-I708 PolarHBondContact O-N 3.23Å; Y706-F709 PolarHBondContact O-N 3.45Å; Y706-L710 HydrophobicContact CD1-CD1 3.99Å; Y706-L710 HydrophobicContact CD1-CG 4.4Å; Y706-L710 HydrophobicContact CE1-CD1 3.36Å; Y706-L710 HydrophobicContact CE1-CG 3.98Å; Y706-L710 HydrophobicContact CE2-CD1 4.49Å; Y706-L710 HydrophobicContact CE2-CD2 4.36Å; Y706-L710 HydrophobicContact CE2-CG 4.29Å; Y706-L710 WeakPolarHBondContact O-CG 3.19Å; Y706-L710 PolarHBondContact O-N 2.96Å
707F92.4Very high89.6Confident113 Ų11348.5 Ų48.550%0.49625%0.251SS..Hα-helixtrans-65.9-35.1177.1-67.5-62.1000112.7F703 L710 V711F703-F707 HydrophobicContact CB-CD2 4.5Å; F703-F707 HydrophobicContact CB-CE2 4.27Å; F703-F707 WeakPolarHBondContact O-CD2 3.3Å; F703-F707 PolarHBondContact O-N 2.92Å; F707-L710 HydrophobicContact CD1-CD1 4.2Å; F707-L710 PolarHBondContact O-N 2.87Å; F707-V711 WeakPolarHBondContact O-CG2 3.46Å; F707-V711 PolarHBondContact O-N 3.47Å; F707-V711 VanDerWaalsContact O-N 3.08Å
708I91.6Very high89.2Confident80 Ų8047.7 Ų47.741%0.4124%0.243SC..Hα-helixtrans-63.3-44.2172-71.6165.8000110.8L704 L705 Y706 L712L704-I708 HydrophobicContact CD1-CD1 4.14Å; L704-I708 HydrophobicContact CG-CD1 3.97Å; L704-I708 WeakPolarHBondContact O-CB 3.3Å; L704-I708 WeakPolarHBondContact O-CD1 3.18Å; L704-I708 WeakPolarHBondContact O-CG1 3.21Å; L704-I708 PolarHBondContact O-N 3.37Å; L705-I708 PolarHBondContact O-N 3.3Å; Y706-I708 VanDerWaalsContact C-N 3.34Å; Y706-I708 PolarHBondContact O-N 3.23Å; I708-L712 HydrophobicContact CG2-CD1 3.82Å; I708-L712 HydrophobicContact CG2-CG 4.43Å; I708-L712 WeakPolarHBondContact O-CB 3.44Å; I708-L712 VanDerWaalsContact O-CG 3.28Å; I708-L712 WeakPolarHBondContact O-CG 3.47Å; I708-L712 PolarHBondContact O-N 3.45Å
709F89.8Confident88.7Confident2 Ų256.1 Ų56.11%0.00927%0.274CS..Hα-helixtrans-61.4-47.4175.2169.7-92.8000111.9V260 L603 L675 M679 L705 Y706 V711 L712 S713V260-F709 HydrophobicContact CB-CD1 4.11Å; V260-F709 HydrophobicContact CB-CE1 3.91Å; V260-F709 HydrophobicContact CB-CZ 4.24Å; V260-F709 HydrophobicContact CG1-CB 4.33Å; V260-F709 HydrophobicContact CG1-CD1 3.6Å; V260-F709 HydrophobicContact CG1-CD2 4.36Å; V260-F709 HydrophobicContact CG1-CE1 3.94Å; V260-F709 HydrophobicContact CG1-CG 3.83Å; V260-F709 HydrophobicContact CG1-CZ 4.44Å; V260-F709 HydrophobicContact CG2-CD1 4.29Å; V260-F709 HydrophobicContact CG2-CD2 4.36Å; V260-F709 HydrophobicContact CG2-CE1 3.86Å; V260-F709 HydrophobicContact CG2-CE2 3.93Å; V260-F709 HydrophobicContact CG2-CZ 3.66Å; L603-F709 HydrophobicContact CD1-CZ 4.36Å; L603-F709 HydrophobicContact CD2-CE1 4.06Å; L675-F709 HydrophobicContact CB-CD2 4.24Å; L675-F709 HydrophobicContact CB-CE2 4.07Å; M679-F709 HydrophobicContact CE-CB 4.17Å; M679-F709 HydrophobicContact CG-CD2 4.41Å; L705-F709 PolarHBondContact O-N 2.8Å; Y706-F709 PolarHBondContact O-N 3.45Å; F709-V711 PolarHBondContact O-N 2.68Å; F709-L712 PolarHBondContact O-N 2.82Å; F709-S713 WeakPolarHBondContact CE2-OG 3.32Å; F709-S713 WeakPolarHBondContact CZ-OG 3.46Å; F709-S713 WeakPolarHBondContact O-CB 3.36Å; F709-S713 PolarHBondContact O-N 3.4Å; F709-S713 PolarHBondContact O-OG 3.08Å; F709-S713 VanDerWaalsContact O-OG 3.05Å
710L89.5Confident88.4Confident32 Ų3260.9 Ų60.917%0.16830%0.303CS..Hα-helixtrans-55.6-49.9178.4-75.6-177.8000111.6T604 Y706 F707 L712 S713 V714T604-L710 HydrophobicContact CG2-CD2 3.96Å; Y706-L710 HydrophobicContact CD1-CD1 3.99Å; Y706-L710 HydrophobicContact CD1-CG 4.4Å; Y706-L710 HydrophobicContact CE1-CD1 3.36Å; Y706-L710 HydrophobicContact CE1-CG 3.98Å; Y706-L710 HydrophobicContact CE2-CD1 4.49Å; Y706-L710 HydrophobicContact CE2-CD2 4.36Å; Y706-L710 HydrophobicContact CE2-CG 4.29Å; Y706-L710 WeakPolarHBondContact O-CG 3.19Å; Y706-L710 PolarHBondContact O-N 2.96Å; F707-L710 HydrophobicContact CD1-CD1 4.2Å; F707-L710 PolarHBondContact O-N 2.87Å; L710-L712 PolarHBondContact O-N 2.76Å; L710-S713 PolarHBondContact O-N 3.43Å; L710-V714 WeakPolarHBondContact O-CB 3.48Å; L710-V714 VanDerWaalsContact O-CG2 3.3Å; L710-V714 WeakPolarHBondContact O-CG2 3.4Å; L710-V714 PolarHBondContact O-N 3.14Å
711V90.3Very high87.9Confident85 Ų8556.9 Ų56.952%0.51529%0.288SS..Hα-helixtrans-62.3-43.9179.4171.80000111.3F707 F709 M715F707-V711 WeakPolarHBondContact O-CG2 3.46Å; F707-V711 PolarHBondContact O-N 3.47Å; F707-V711 VanDerWaalsContact O-N 3.08Å; F709-V711 PolarHBondContact O-N 2.68Å; V711-M715 HydrophobicContact CG1-CG 4.39Å; V711-M715 HydrophobicContact CG1-SD 3.75Å; V711-M715 VanDerWaalsContact O-CB 3.32Å; V711-M715 WeakPolarHBondContact O-CB 3.45Å; V711-M715 WeakPolarHBondContact O-CG 3.28Å; V711-M715 PolarHBondContact O-N 2.88Å
712L88.4Confident87.3Confident65 Ų6560.6 Ų60.634%0.3431%0.31SS..Hα-helixtrans-65-43.9178.5-72.3173.1000112.4L675 I708 F709 L710 M715 L716 I721L675-L712 HydrophobicContact CD1-CB 4.35Å; I708-L712 HydrophobicContact CG2-CD1 3.82Å; I708-L712 HydrophobicContact CG2-CG 4.43Å; I708-L712 WeakPolarHBondContact O-CB 3.44Å; I708-L712 VanDerWaalsContact O-CG 3.28Å; I708-L712 WeakPolarHBondContact O-CG 3.47Å; I708-L712 PolarHBondContact O-N 3.45Å; F709-L712 PolarHBondContact O-N 2.82Å; L710-L712 PolarHBondContact O-N 2.76Å; L712-M715 PolarHBondContact O-N 3.41Å; L712-L716 WeakPolarHBondContact O-CB 3.1Å; L712-L716 WeakPolarHBondContact O-CD1 3.29Å; L712-L716 VanDerWaalsContact O-CG 3.27Å; L712-L716 WeakPolarHBondContact O-CG 3.4Å; L712-L716 PolarHBondContact O-N 2.83Å; L712-I721 HydrophobicContact CD2-CD1 3.94Å
713S85.6Confident86.6Confident8 Ų861.6 Ų61.66%0.05632%0.317CS..Hα-helixtrans-66.5-41.6-179.4-63.40000112.2F709 L710 L716 E717F709-S713 WeakPolarHBondContact CE2-OG 3.32Å; F709-S713 WeakPolarHBondContact CZ-OG 3.46Å; F709-S713 WeakPolarHBondContact O-CB 3.36Å; F709-S713 PolarHBondContact O-N 3.4Å; F709-S713 PolarHBondContact O-OG 3.08Å; F709-S713 VanDerWaalsContact O-OG 3.05Å; L710-S713 PolarHBondContact O-N 3.43Å; S713-L716 PolarHBondContact O-N 2.98Å; S713-E717 PolarHBondContact O-N 3.37Å
714V85.7Confident85.5Confident42 Ų4265.8 Ų65.826%0.25535%0.346SS..Hα-helixtrans-63-48.4172.3172.70000110.7I600 T604 L710 L716 E717 D718I600-V714 HydrophobicContact CG2-CG2 4.02Å; T604-V714 HydrophobicContact CG2-CG2 4.41Å; L710-V714 WeakPolarHBondContact O-CB 3.48Å; L710-V714 VanDerWaalsContact O-CG2 3.3Å; L710-V714 WeakPolarHBondContact O-CG2 3.4Å; L710-V714 PolarHBondContact O-N 3.14Å; V714-L716 PolarHBondContact O-N 3.28Å; V714-E717 PolarHBondContact O-N 3.25Å; V714-D718 WeakPolarHBondContact CG1-OD2 3.26Å; V714-D718 WeakPolarHBondContact O-CB 3.28Å; V714-D718 PolarHBondContact O-N 2.74Å
715M87.3Confident84.2Confident64 Ų6464.6 Ų64.632%0.31534%0.343SS..Hα-helixtrans-64-24179-72.1179.576.500114.1V711 L712 V720 I721V711-M715 HydrophobicContact CG1-CG 4.39Å; V711-M715 HydrophobicContact CG1-SD 3.75Å; V711-M715 VanDerWaalsContact O-CB 3.32Å; V711-M715 WeakPolarHBondContact O-CB 3.45Å; V711-M715 WeakPolarHBondContact O-CG 3.28Å; V711-M715 PolarHBondContact O-N 2.88Å; L712-M715 PolarHBondContact O-N 3.41Å; M715-V720 HydrophobicContact CB-CB 4.36Å; M715-V720 HydrophobicContact CE-CB 4.41Å; M715-V720 HydrophobicContact CE-CG1 3.71Å; M715-V720 PolarHBondContact O-N 3.45Å; M715-I721 HydrophobicContact CB-CD1 3.72Å; M715-I721 HydrophobicContact CB-CG1 3.99Å; M715-I721 HydrophobicContact CE-CD1 4.01Å; M715-I721 HydrophobicContact CE-CG1 4.1Å; M715-I721 PolarHBondContact O-N 3.23Å; M715-I721 HydrophobicContact SD-CD1 4.19Å
716L84Confident82.3Confident16 Ų1668.9 Ų68.98%0.08438%0.375CS..Hα-helixtrans-75.4-44.2173.5-80.3161.8000112C671 L675 L712 S713 V714 R719 I721 C723C671-L716 HydrophobicContact CB-CD1 4.09Å; C671-L716 HydrophobicContact CB-CD2 4.34Å; C671-L716 VanDerWaalsContact SG-CD1 3.53Å; L675-L716 HydrophobicContact CD1-CD1 3.56Å; L712-L716 WeakPolarHBondContact O-CB 3.1Å; L712-L716 WeakPolarHBondContact O-CD1 3.29Å; L712-L716 VanDerWaalsContact O-CG 3.27Å; L712-L716 WeakPolarHBondContact O-CG 3.4Å; L712-L716 PolarHBondContact O-N 2.83Å; S713-L716 PolarHBondContact O-N 2.98Å; V714-L716 PolarHBondContact O-N 3.28Å; L716-R719 WeakPolarHBondContact O-CA 3.32Å; L716-R719 PolarHBondContact O-N 3.06Å; L716-R719 VanDerWaalsContact O-N 3.13Å; L716-I721 HydrophobicContact CD2-CB 4.05Å; L716-I721 HydrophobicContact CD2-CG2 3.71Å; L716-I721 HydrophobicContact CG-CB 4.32Å; L716-I721 HydrophobicContact CG-CG2 4.33Å; L716-C723 HydrophobicContact CD2-CB 4.48Å
717E81.7Confident80.3Confident47 Ų4774.5 Ų74.522%0.2241%0.405CS..Hα-helixtrans-77-35.3-178.4-157.161.8-105.500112.3E599 I600 G668 S713 V714 R719E599-E717 HydrophobicContact CB-CG 4.34Å; I600-E717 HydrophobicContact CD1-CB 4.09Å; I600-E717 HydrophobicContact CD1-CG 4.37Å; I600-E717 HydrophobicContact CG1-CB 3.9Å; I600-E717 HydrophobicContact CG1-CG 4.05Å; G668-E717 WeakPolarHBondContact CA-OE2 3.27Å; S713-E717 PolarHBondContact O-N 3.37Å; V714-E717 PolarHBondContact O-N 3.25Å; E717-R719 WeakPolarHBondContact O-CG 3.22Å; E717-R719 PolarHBondContact O-N 3.12Å
718D81.4Confident79.7Confident95 Ų9572.6 Ų72.651%0.50840%0.4SS..THydrogen-bonded Turntrans-65-4.1165.7-72.5-22000112.9V714 V720V714-D718 WeakPolarHBondContact CG1-OD2 3.26Å; V714-D718 WeakPolarHBondContact O-CB 3.28Å; V714-D718 PolarHBondContact O-N 2.74Å; D718-V720 HydrophobicContact CB-CG2 3.96Å; D718-V720 PolarHBondContact O-N 2.95Å; D718-V720 VanDerWaalsContact O-N 3.12Å
719R78.8Confident79.1Confident185 Ų18572.2 Ų72.270%0.69840%0.399SS*.THydrogen-bonded Turntrans58.319.8-179.2-48.6-172.9-177.8-173.90.1115L716 E717 I721L716-R719 WeakPolarHBondContact O-CA 3.32Å; L716-R719 PolarHBondContact O-N 3.06Å; L716-R719 VanDerWaalsContact O-N 3.13Å; E717-R719 WeakPolarHBondContact O-CG 3.22Å; E717-R719 PolarHBondContact O-N 3.12Å; R719-I721 VanDerWaalsContact C-N 3.27Å
720V83.4Confident78.5Confident100 Ų10076.1 Ų76.161%0.60642%0.421SS*.SBendtrans-66.9-34.3170.7-177.60000110.2M715 D718M715-V720 HydrophobicContact CB-CB 4.36Å; M715-V720 HydrophobicContact CE-CB 4.41Å; M715-V720 HydrophobicContact CE-CG1 3.71Å; M715-V720 PolarHBondContact O-N 3.45Å; D718-V720 HydrophobicContact CB-CG2 3.96Å; D718-V720 PolarHBondContact O-N 2.95Å; D718-V720 VanDerWaalsContact O-N 3.12Å
721I82.2Confident77.8Confident56 Ų5678.7 Ų78.729%0.28744%0.436SS..SBendtrans-109128.9169.1-61.6173.6000108L712 M715 L716 R719L712-I721 HydrophobicContact CD2-CD1 3.94Å; M715-I721 HydrophobicContact CB-CD1 3.72Å; M715-I721 HydrophobicContact CB-CG1 3.99Å; M715-I721 HydrophobicContact CE-CD1 4.01Å; M715-I721 HydrophobicContact CE-CG1 4.1Å; M715-I721 PolarHBondContact O-N 3.23Å; M715-I721 HydrophobicContact SD-CD1 4.19Å; L716-I721 HydrophobicContact CD2-CB 4.05Å; L716-I721 HydrophobicContact CD2-CG2 3.71Å; L716-I721 HydrophobicContact CG-CB 4.32Å; L716-I721 HydrophobicContact CG-CG2 4.33Å; R719-I721 VanDerWaalsContact C-N 3.27Å
722V79.1Confident77.1Confident125 Ų12578.3 Ų78.376%0.75843%0.431SS*.  trans-80.5130.3169.1-178.70000108.4
723C75.4Confident76.3Confident24 Ų2479.2 Ų79.216%0.16244%0.437CS..  trans-52.6123172.6177.70000110.1C671 L716 V725C671-C723 HydrophobicContact CB-CB 4.08Å; C671-C723 VanDerWaalsContact CB-SG 3.57Å; L716-C723 HydrophobicContact CD2-CB 4.48Å; C723-V725 PolarHBondContact O-N 3.48Å; C723-V725 PolarHBondContact SG-N 3.3Å; C723-V725 VanDerWaalsContact SG-N 3.36Å; C723-V725 PolarHBondContact SG-O 3.49Å
724P70.9Confident75.6Confident113 Ų11384.3 Ų84.373%0.73446%0.464SS*.SBendtrans-73.5-7.8-18030.8-35.7000113.1
725V65.9Low74.9Confident70 Ų7087.5 Ų87.542%0.42448%0.481SS..  trans-109.183.4175.3-166.80000108.8F670 C723F670-V725 HydrophobicContact CE1-CB 4.09Å; F670-V725 HydrophobicContact CE1-CG1 3.76Å; F670-V725 HydrophobicContact CZ-CG1 4.47Å; C723-V725 PolarHBondContact O-N 3.48Å; C723-V725 PolarHBondContact SG-N 3.3Å; C723-V725 VanDerWaalsContact SG-N 3.36Å; C723-V725 PolarHBondContact SG-O 3.49Å
726S52.1Low73.8Confident110 Ų11089.5 Ų89.577%0.76949%0.494SS*.  trans-72.1129.5163.557.50000109.4
727I51.2Low72.9Confident133 Ų13396.2 Ų96.268%0.68253%0.532SS*.  trans-96.40171.2-48.1157.3000108.7L304 F670L304-I727 HydrophobicContact CD2-CD1 4.17Å; L304-I727 HydrophobicContact CD2-CG1 4.25Å; L304-I727 HydrophobicContact CD2-CG2 4.29Å; L304-I727 VanDerWaalsContact O-CG2 3.31Å; L304-I727 WeakPolarHBondContact O-CG2 3.19Å; F670-I727 HydrophobicContact CD1-CD1 3.81Å; F670-I727 HydrophobicContact CD1-CG1 4.37Å; F670-I727 HydrophobicContact CD2-CD1 3.91Å; F670-I727 HydrophobicContact CE1-CD1 3.89Å; F670-I727 HydrophobicContact CE1-CG1 4.11Å; F670-I727 HydrophobicContact CE2-CD1 3.97Å; F670-I727 HydrophobicContact CG-CD1 3.82Å; F670-I727 HydrophobicContact CZ-CD1 3.97Å; F670-I727 HydrophobicContact CZ-CG1 4.32Å

Retrieved 727 of 727 residues in 371.2 ms (Link to these results)

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