A0A075BJI1_DROME Loading...

Innexin

Structural component of the gap junctions.

AlphaFold DB , UniProt , Accession A0A075BJI1, Species DROME (Drosophila melanogaster, Fruit fly), Gene zpg, Length 367 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
1M43.9Very low60.2Low209 Ų209116.6 Ų116.6100%1.0362%0.615SS**  0-48.30-144.5169.7174.400113.2A3 A4M1-A3 VanDerWaalsContact C-N 3.35Å; M1-A3 PolarHBondContact O-N 3.09Å; M1-A4 PolarHBondContact O-N 3.14Å
2Y49.6Very low60.7Low220 Ų220112.8 Ų112.886%0.86359%0.594SS**Hα-helixtrans-59.8-30.8-179.8-77.5-84.9000116.3K6Y2-K6 PolarHBondContact O-N 3.4Å
3A55.9Low61.3Low86 Ų86112.7 Ų112.771%0.71159%0.589SS**Hα-helixtrans-69.8-34.3-179.500000113.7M1 P7M1-A3 VanDerWaalsContact C-N 3.35Å; M1-A3 PolarHBondContact O-N 3.09Å; A3-P7 WeakPolarHBondContact O-CD 3.39Å
4A54.9Low61.1Low80 Ų80117 Ų11766%0.66160%0.601SS**Hα-helixtrans-76.1-28.5-179.200000112.7M1 P7M1-A4 PolarHBondContact O-N 3.14Å; A4-P7 WeakPolarHBondContact O-CD 3.3Å; A4-P7 WeakPolarHBondContact O-CG 3.35Å
5V59.6Low61.3Low78 Ų78118.1 Ų118.147%0.47360%0.599SS.*Hα-helixtrans-87.4-21.5-178.4-172.50000112.2L8 S9V5-L8 WeakPolarHBondContact O-CB 3.46Å; V5-L8 PolarHBondContact O-N 3.38Å; V5-L8 VanDerWaalsContact O-N 3.14Å; V5-S9 WeakPolarHBondContact O-CB 3.5Å; V5-S9 PolarHBondContact O-N 3.23Å
6K63.5Low61.1Low159 Ų159114.6 Ų114.669%0.69159%0.589SS**Hα-helixtrans-54.4-45.6178.2-163.2174.8-175.5177.70114.4Y2 K10Y2-K6 PolarHBondContact O-N 3.4Å; K6-K10 PolarHBondContact O-N 3.42Å
7P70.6Confident61.8Low84 Ų84108.3 Ų108.355%0.54556%0.557SS.*Hα-helixtrans-65.7-38.5174.822.3-31.2000112.7A3 A4 K10 Y11A3-P7 WeakPolarHBondContact O-CD 3.39Å; A4-P7 WeakPolarHBondContact O-CD 3.3Å; A4-P7 WeakPolarHBondContact O-CG 3.35Å; P7-K10 PolarHBondContact O-N 2.94Å; P7-Y11 WeakPolarHBondContact O-CB 3.44Å; P7-Y11 PolarHBondContact O-N 2.68Å
8L61.6Low62.8Low74 Ų74107.3 Ų107.339%0.38755%0.55SS..Hα-helixtrans-66.2-42.6177.3-16871.5000111.7V5 Y11 L12 A33V5-L8 WeakPolarHBondContact O-CB 3.46Å; V5-L8 PolarHBondContact O-N 3.38Å; V5-L8 VanDerWaalsContact O-N 3.14Å; L8-Y11 WeakPolarHBondContact O-CB 3.46Å; L8-Y11 PolarHBondContact O-N 3.41Å; L8-L12 HydrophobicContact CG-CD1 4.17Å; L8-L12 WeakPolarHBondContact O-CG 3.41Å; L8-L12 PolarHBondContact O-N 3.26Å; L8-A33 HydrophobicContact CD1-CB 3.99Å
9S64.9Low63.9Low60 Ų60102.9 Ų102.942%0.4253%0.527SS..Hα-helixtrans-59.1-47.3174.1177.70000111V5 Y11 L12 Q13V5-S9 WeakPolarHBondContact O-CB 3.5Å; V5-S9 PolarHBondContact O-N 3.23Å; S9-Y11 VanDerWaalsContact C-N 3.29Å; S9-Y11 PolarHBondContact O-N 3Å; S9-L12 PolarHBondContact O-N 3.17Å; S9-Q13 VanDerWaalsContact O-CG 3.28Å; S9-Q13 WeakPolarHBondContact O-CG 3.49Å; S9-Q13 PolarHBondContact O-N 3.29Å
10K69.3Low65Low160 Ų16099.7 Ų99.770%0.69651%0.508SS*.Hα-helixtrans-63.8-32.1176.2-169178.2-180-1790112.9K6 P7K6-K10 PolarHBondContact O-N 3.42Å; P7-K10 PolarHBondContact O-N 2.94Å
11Y68.8Low66.1Low73 Ų7396 Ų9629%0.28649%0.49SS..Hα-helixtrans-71.1-40.6177.4-177.2-105.1000112.7P7 L8 S9 S28 K29 Y125P7-Y11 WeakPolarHBondContact O-CB 3.44Å; P7-Y11 PolarHBondContact O-N 2.68Å; L8-Y11 WeakPolarHBondContact O-CB 3.46Å; L8-Y11 PolarHBondContact O-N 3.41Å; S9-Y11 VanDerWaalsContact C-N 3.29Å; S9-Y11 PolarHBondContact O-N 3Å; Y11-S28 PolarHBondContact OH-O 3.01Å; Y11-K29 HydrophobicContact CE1-CB 3.93Å; Y11-K29 HydrophobicContact CE1-CD 4.48Å; Y11-K29 HydrophobicContact CE1-CG 4.19Å; Y11-Y125 HydrophobicContact CE2-CE2 4.28Å; Y11-Y125 VanDerWaalsContact OH-CD2 3.31Å; Y11-Y125 WeakPolarHBondContact OH-CD2 3.39Å; Y11-Y125 WeakPolarHBondContact OH-CE2 3.41Å
12L66.2Low68.3Low70 Ų7090.1 Ų90.137%0.36647%0.474SS..Hα-helixtrans-84.5-9179.1-66.2174.3000113.8L8 S9 F14 K29 A33L8-L12 HydrophobicContact CG-CD1 4.17Å; L8-L12 WeakPolarHBondContact O-CG 3.41Å; L8-L12 PolarHBondContact O-N 3.26Å; S9-L12 PolarHBondContact O-N 3.17Å; L12-F14 PolarHBondContact O-N 3.49Å; L12-K29 HydrophobicContact CD2-CB 4.42Å; L12-A33 HydrophobicContact CD2-CB 4.38Å
13Q67.6Low70.4Confident112 Ų11281.8 Ų81.852%0.52344%0.444SS..PPolyproline II helixtrans-56.6129.2175.3-90.4170.98.800111.6S9 K15S9-Q13 VanDerWaalsContact O-CG 3.28Å; S9-Q13 WeakPolarHBondContact O-CG 3.49Å; S9-Q13 PolarHBondContact O-N 3.29Å; Q13-K15 PolarHBondContact O-N 2.69Å
14F58.9Low72.1Confident173 Ų17378 Ų7876%0.75941%0.412SS*.PPolyproline II helixtrans-66.1126.3169.2-66.2-81.1000108.8L12L12-F14 PolarHBondContact O-N 3.49Å
15K63.5Low73.9Confident133 Ų13375.7 Ų75.758%0.57839%0.389SS*.PPolyproline II helixtrans-83156.2176.5-68.4-173.7175.8-1760109.7Q13 V17 H18Q13-K15 PolarHBondContact O-N 2.69Å; K15-V17 PolarHBondContact O-N 3.14Å; K15-H18 PolarHBondContact O-CE1 3.41Å
16S58.9Low75.5Confident62 Ų6273.9 Ų73.943%0.43438%0.376SS..SBendtrans-53.4-37.2173.352.20000112.5D144 H147S16-D144 PolarHBondContact OG-OD1 2.95Å; S16-H147 PolarHBondContact O-CE1 2.98Å
17V72.6Confident76.9Confident8 Ų866.3 Ų66.35%0.04834%0.344CS..SBendtrans-111.8119.4177.2-1770000110.2K15 I19 L139 C143 D144 N338K15-V17 PolarHBondContact O-N 3.14Å; V17-I19 HydrophobicContact CG1-CG1 4.4Å; V17-I19 PolarHBondContact O-N 3.36Å; V17-L139 HydrophobicContact CG1-CB 4.42Å; V17-L139 HydrophobicContact CG1-CD2 4.17Å; V17-L139 HydrophobicContact CG1-CG 3.85Å; V17-C143 HydrophobicContact CG1-CB 4.25Å; V17-C143 HydrophobicContact CG2-CB 4.06Å; V17-D144 HydrophobicContact CG2-CB 4.2Å; V17-N338 WeakPolarHBondContact CA-OD1 3.04Å
18H79.4Confident77.9Confident91 Ų9162.3 Ų62.342%0.42132%0.318SS..  trans-85.595.1177.1-63.684.1000110.3K15 N338K15-H18 PolarHBondContact O-CE1 3.41Å; H18-N338 WeakPolarHBondContact CA-OD1 3.24Å; H18-N338 PolarHBondContact N-OD1 3.03Å; H18-N338 PolarHBondContact O-ND2 3.26Å; H18-N338 PolarHBondContact O-OD1 2.97Å
19I84.4Confident79.3Confident23 Ų2360.2 Ų60.212%0.11831%0.305CS..  trans-83.1-19.7174.6-39.9178.1000111.4V17 W131 E135 L139V17-I19 HydrophobicContact CG1-CG1 4.4Å; V17-I19 PolarHBondContact O-N 3.36Å; I19-W131 HydrophobicContact CG2-CZ2 4.48Å; I19-W131 PolarHBondContact O-NE1 2.96Å; I19-E135 HydrophobicContact CG2-CB 4.22Å; I19-E135 HydrophobicContact CG2-CG 3.52Å; I19-L139 HydrophobicContact CG2-CD2 4.44Å
20Y85.9Confident80.7Confident39 Ų3959.7 Ų59.715%0.15330%0.3CS..SBendtrans-110.1147.3-178.9-55.2-77.4000110.6F24 T25 A128 W131Y20-F24 AromaticContact CD1-CD1 3.41Å; Y20-F24 HydrophobicContact CD1-CD1 3.41Å; Y20-F24 VanDerWaalsContact CD1-CD1 3.41Å; Y20-F24 AromaticContact CD1-CE1 3.64Å; Y20-F24 HydrophobicContact CD1-CE1 3.64Å; Y20-F24 HydrophobicContact CD1-CG 4.16Å; Y20-F24 HydrophobicContact CE1-CD1 4.04Å; Y20-F24 AromaticContact CE1-CE1 3.8Å; Y20-F24 HydrophobicContact CE1-CE1 3.8Å; Y20-F24 HydrophobicContact CG-CD1 4.29Å; Y20-T25 WeakPolarHBondContact CB-OG1 3.48Å; Y20-A128 HydrophobicContact CE1-CB 4.04Å; Y20-A128 PolarHBondContact OH-O 3.33Å; Y20-W131 AromaticContact CD1-CD1 3.81Å; Y20-W131 HydrophobicContact CE1-CB 4.48Å; Y20-W131 AromaticContact CE1-CD1 3.46Å; Y20-W131 VanDerWaalsContact CE1-CD1 3.46Å; Y20-W131 HydrophobicContact CE1-CG 4.34Å
21D87.1Confident81.9Confident22 Ų2252.1 Ų52.112%0.11827%0.267CS..  trans-72161.7163.9-69.4-36.8000111I23 F24 T25 Y182 K287 R334D21-I23 VanDerWaalsContact C-N 3.31Å; D21-I23 PolarHBondContact O-N 2.99Å; D21-F24 HydrophobicContact CB-CB 4.33Å; D21-F24 PolarHBondContact O-N 3.41Å; D21-T25 WeakPolarHBondContact O-CB 3.41Å; D21-T25 PolarHBondContact O-N 2.93Å; D21-T25 PolarHBondContact O-OG1 3.28Å; D21-Y182 PolarHBondContact OD2-OH 3.37Å; D21-K287 IonicContact OD1-NZ 3.49Å; D21-K287 WeakPolarHBondContact OD2-CE 3.35Å; D21-K287 IonicContact OD2-NZ 3.61Å; D21-K287 PolarHBondContact OD2-NZ 3.05Å; D21-R334 VanDerWaalsContact CG-NH1 3.32Å; D21-R334 VanDerWaalsContact CG-NH2 3.34Å; D21-R334 IonicContact OD1-CZ 3.69Å; D21-R334 IonicContact OD1-NH1 2.82Å; D21-R334 PolarHBondContact OD1-NH1 3.49Å; D21-R334 IonicContact OD1-NH2 3.93Å; D21-R334 PolarHBondContact OD1-NH2 3.26Å; D21-R334 IonicContact OD2-CZ 2.77Å; D21-R334 IonicContact OD2-NH1 3.86Å; D21-R334 IonicContact OD2-NH2 2.61Å; D21-R334 PolarHBondContact OD2-NH2 3.23Å
22A90.2Very high83.2Confident85 Ų8549 Ų4970%0.70226%0.256SS*.Hα-helixtrans-56.4-44.9176.300000112T25 L26A22-T25 WeakPolarHBondContact O-CB 3.33Å; A22-T25 PolarHBondContact O-N 3.24Å; A22-L26 PolarHBondContact O-N 3Å
23I93.5Very high84.5Confident45 Ų4546.4 Ų46.423%0.23124%0.244CC..Hα-helixtrans-65.2-41.8179-61.3171000111D21 T25 L26 H27 L283 I284 K287D21-I23 VanDerWaalsContact C-N 3.31Å; D21-I23 PolarHBondContact O-N 2.99Å; I23-T25 VanDerWaalsContact C-N 3.3Å; I23-T25 PolarHBondContact O-N 3.31Å; I23-L26 WeakPolarHBondContact O-CB 3.27Å; I23-L26 PolarHBondContact O-N 3.34Å; I23-H27 PolarHBondContact O-N 3.42Å; I23-L283 HydrophobicContact CG2-CB 4.04Å; I23-I284 HydrophobicContact CG2-CG1 3.91Å; I23-K287 HydrophobicContact CD1-CB 3.9Å; I23-K287 HydrophobicContact CD1-CD 4.34Å; I23-K287 HydrophobicContact CD1-CG 4.4Å; I23-K287 HydrophobicContact CG2-CB 4.31Å
24F93Very high85.9Confident8 Ų842.8 Ų42.84%0.03523%0.228CC..Hα-helixtrans-63.7-39.3176.4-160.3-66000111Y20 D21 H27 S28 P127 A128 W131 Y182 C185 N189Y20-F24 AromaticContact CD1-CD1 3.41Å; Y20-F24 HydrophobicContact CD1-CD1 3.41Å; Y20-F24 VanDerWaalsContact CD1-CD1 3.41Å; Y20-F24 AromaticContact CD1-CE1 3.64Å; Y20-F24 HydrophobicContact CD1-CE1 3.64Å; Y20-F24 HydrophobicContact CD1-CG 4.16Å; Y20-F24 HydrophobicContact CE1-CD1 4.04Å; Y20-F24 AromaticContact CE1-CE1 3.8Å; Y20-F24 HydrophobicContact CE1-CE1 3.8Å; Y20-F24 HydrophobicContact CG-CD1 4.29Å; D21-F24 HydrophobicContact CB-CB 4.33Å; D21-F24 PolarHBondContact O-N 3.41Å; F24-H27 PolarHBondContact O-N 2.84Å; F24-S28 WeakPolarHBondContact O-CB 3.49Å; F24-S28 PolarHBondContact O-N 2.63Å; F24-S28 PolarHBondContact O-OG 2.86Å; F24-P127 HydrophobicContact CZ-CB 4.07Å; F24-A128 HydrophobicContact CE1-CB 3.95Å; F24-W131 HydrophobicContact CZ-CB 4.45Å; F24-Y182 HydrophobicContact CD2-CE2 4.44Å; F24-C185 HydrophobicContact CE2-CB 3.86Å; F24-C185 HydrophobicContact CZ-CB 4.01Å; F24-N189 WeakPolarHBondContact CD2-ND2 3.1Å; F24-N189 WeakPolarHBondContact CE2-ND2 3.39Å; F24-N189 WeakPolarHBondContact CZ-ND2 3.27Å
25T91.6Very high87.6Confident30 Ų3034.6 Ų34.618%0.18419%0.192CC..Hα-helixtrans-65.4-41.6176.1-57.30000111.4Y20 D21 A22 I23 K29 V30Y20-T25 WeakPolarHBondContact CB-OG1 3.48Å; D21-T25 WeakPolarHBondContact O-CB 3.41Å; D21-T25 PolarHBondContact O-N 2.93Å; D21-T25 PolarHBondContact O-OG1 3.28Å; A22-T25 WeakPolarHBondContact O-CB 3.33Å; A22-T25 PolarHBondContact O-N 3.24Å; I23-T25 VanDerWaalsContact C-N 3.3Å; I23-T25 PolarHBondContact O-N 3.31Å; T25-K29 HydrophobicContact CG2-CB 4.32Å; T25-K29 HydrophobicContact CG2-CD 4.08Å; T25-K29 HydrophobicContact CG2-CG 4.33Å; T25-K29 WeakPolarHBondContact O-CA 3.33Å; T25-K29 VanDerWaalsContact O-CB 3.3Å; T25-K29 WeakPolarHBondContact O-CB 3.45Å; T25-K29 PolarHBondContact O-N 3.35Å; T25-V30 PolarHBondContact O-N 2.75Å
26L93.4Very high89.1Confident40 Ų4031.9 Ų31.921%0.20918%0.184CC..Iπ-helixtrans-59.4-49.1175-171.773.7000111.1A22 I23 V30 T31 W276 L279 V280 L283A22-L26 PolarHBondContact O-N 3Å; I23-L26 WeakPolarHBondContact O-CB 3.27Å; I23-L26 PolarHBondContact O-N 3.34Å; L26-V30 HydrophobicContact CD1-CB 4.05Å; L26-V30 HydrophobicContact CD1-CG1 4.19Å; L26-V30 HydrophobicContact CD1-CG2 4.16Å; L26-V30 WeakPolarHBondContact O-CB 3.49Å; L26-V30 PolarHBondContact O-N 3.29Å; L26-T31 PolarHBondContact O-N 2.75Å; L26-T31 PolarHBondContact O-OG1 2.88Å; L26-W276 HydrophobicContact CD1-CH2 3.62Å; L26-W276 HydrophobicContact CD1-CZ2 3.81Å; L26-W276 HydrophobicContact CG-CH2 4.41Å; L26-W276 HydrophobicContact CG-CZ2 4.2Å; L26-L279 HydrophobicContact CD2-CD2 4.11Å; L26-V280 HydrophobicContact CD2-CG2 4.34Å; L26-V280 HydrophobicContact CG-CG2 4.47Å; L26-L283 HydrophobicContact CD2-CD1 3.5Å; L26-L283 VanDerWaalsContact CD2-CD1 3.5Å
27H94.3Very high90.8Very high0 Ų031.2 Ų31.20%018%0.181CC..Iπ-helixtrans-62.3-53.9178.2-178.5-97.3000112.4I23 F24 T31 F124 N189 S193 V280 I284I23-H27 PolarHBondContact O-N 3.42Å; F24-H27 PolarHBondContact O-N 2.84Å; H27-T31 WeakPolarHBondContact O-CB 3.24Å; H27-T31 PolarHBondContact O-OG1 2.85Å; H27-F124 AromaticContact CD2-CD1 3.57Å; H27-F124 AromaticContact CD2-CE1 3.55Å; H27-F124 AromaticContact CE1-CD1 3.51Å; H27-F124 AromaticContact NE2-CD1 3.19Å; H27-F124 WeakPolarHBondContact NE2-CD1 3.4Å; H27-F124 AromaticContact NE2-CE1 3.24Å; H27-F124 WeakPolarHBondContact NE2-CE1 3.34Å; H27-N189 PolarHBondContact CE1-OD1 3.37Å; H27-N189 PolarHBondContact ND1-OD1 2.7Å; H27-N189 PolarHBondContact NE2-O 2.9Å; H27-S193 PolarHBondContact CD2-OG 3.46Å; H27-S193 VanDerWaalsContact CD2-OG 3.31Å; H27-S193 PolarHBondContact NE2-OG 3.42Å; H27-S193 VanDerWaalsContact NE2-OG 3.14Å; H27-V280 HydrophobicContact CB-CG1 4.27Å; H27-I284 HydrophobicContact CB-CD1 3.84Å; H27-I284 WeakPolarHBondContact CD2-CD1 3.48Å
28S90.8Very high91.8Very high0 Ų031.2 Ų31.20%018%0.182CC..Iπ-helixtrans-92.7-16.9-166.960.60000115.7Y11 F24 V32Y11-S28 PolarHBondContact OH-O 3.01Å; F24-S28 WeakPolarHBondContact O-CB 3.49Å; F24-S28 PolarHBondContact O-N 2.63Å; F24-S28 PolarHBondContact O-OG 2.86Å; S28-V32 WeakPolarHBondContact O-CG2 3.43Å
29K90.8Very high92.5Very high30 Ų3027.4 Ų27.413%0.1317%0.165CC..Iπ-helixtrans-112.8-51.8177.9-60.8-162.2-175-179.40112.5Y11 L12 T25 A33Y11-K29 HydrophobicContact CE1-CB 3.93Å; Y11-K29 HydrophobicContact CE1-CD 4.48Å; Y11-K29 HydrophobicContact CE1-CG 4.19Å; L12-K29 HydrophobicContact CD2-CB 4.42Å; T25-K29 HydrophobicContact CG2-CB 4.32Å; T25-K29 HydrophobicContact CG2-CD 4.08Å; T25-K29 HydrophobicContact CG2-CG 4.33Å; T25-K29 WeakPolarHBondContact O-CA 3.33Å; T25-K29 VanDerWaalsContact O-CB 3.3Å; T25-K29 WeakPolarHBondContact O-CB 3.45Å; T25-K29 PolarHBondContact O-N 3.35Å; K29-A33 VanDerWaalsContact O-CB 3.3Å; K29-A33 WeakPolarHBondContact O-CB 3.49Å; K29-A33 PolarHBondContact O-N 2.9Å
30V93.5Very high92.9Very high50 Ų5033.5 Ų33.530%0.30319%0.191SC..Iπ-helixtrans-70.8-46.4-174.7-175.60000110.2T25 L26 V32 A33 L34 W276T25-V30 PolarHBondContact O-N 2.75Å; L26-V30 HydrophobicContact CD1-CB 4.05Å; L26-V30 HydrophobicContact CD1-CG1 4.19Å; L26-V30 HydrophobicContact CD1-CG2 4.16Å; L26-V30 WeakPolarHBondContact O-CB 3.49Å; L26-V30 PolarHBondContact O-N 3.29Å; V30-V32 VanDerWaalsContact C-N 3.33Å; V30-V32 PolarHBondContact O-N 3.41Å; V30-A33 PolarHBondContact O-N 3.32Å; V30-L34 WeakPolarHBondContact O-CB 3.43Å; V30-L34 PolarHBondContact O-N 3.47Å; V30-W276 HydrophobicContact CB-CZ2 4.19Å; V30-W276 HydrophobicContact CG1-CH2 3.64Å; V30-W276 HydrophobicContact CG1-CZ2 3.61Å
31T95.9Very high93.1Very high0 Ų035.9 Ų35.90%021%0.206CC..Hα-helixtrans-61.8-41.2176-48.40000111.5L26 H27 L34 L35 F124 W276 F277L26-T31 PolarHBondContact O-N 2.75Å; L26-T31 PolarHBondContact O-OG1 2.88Å; H27-T31 WeakPolarHBondContact O-CB 3.24Å; H27-T31 PolarHBondContact O-OG1 2.85Å; T31-L34 WeakPolarHBondContact O-CB 3.44Å; T31-L34 PolarHBondContact O-N 2.85Å; T31-L35 HydrophobicContact CG2-CD1 4.03Å; T31-L35 HydrophobicContact CG2-CG 4.33Å; T31-L35 WeakPolarHBondContact O-CB 3.38Å; T31-L35 VanDerWaalsContact O-CG 3.25Å; T31-L35 WeakPolarHBondContact O-CG 3.21Å; T31-L35 PolarHBondContact O-N 3.25Å; T31-F124 HydrophobicContact CG2-CD1 3.91Å; T31-F124 HydrophobicContact CG2-CE1 4.01Å; T31-F124 HydrophobicContact CG2-CG 4.25Å; T31-F124 HydrophobicContact CG2-CZ 4.41Å; T31-W276 PolarHBondContact OG1-NE1 3.31Å; T31-F277 HydrophobicContact CG2-CD1 4.46Å; T31-F277 HydrophobicContact CG2-CE1 3.94Å
32V95.8Very high93.3Very high9 Ų934.9 Ų34.96%0.05520%0.2CC..Hα-helixtrans-63.2-45.5176.2175.50000111.7S28 V30 L34 L35 L36 S121 F124S28-V32 WeakPolarHBondContact O-CG2 3.43Å; V30-V32 VanDerWaalsContact C-N 3.33Å; V30-V32 PolarHBondContact O-N 3.41Å; V32-L34 VanDerWaalsContact C-N 3.3Å; V32-L34 PolarHBondContact O-N 2.95Å; V32-L35 PolarHBondContact O-N 3.43Å; V32-L36 HydrophobicContact CG1-CD1 4Å; V32-L36 HydrophobicContact CG1-CG 4.42Å; V32-L36 WeakPolarHBondContact O-CB 3.47Å; V32-L36 VanDerWaalsContact O-CG 3.29Å; V32-L36 WeakPolarHBondContact O-CG 3.43Å; V32-L36 PolarHBondContact O-N 2.97Å; V32-S121 WeakPolarHBondContact CG2-O 3.49Å; V32-F124 HydrophobicContact CG2-CB 3.77Å
33A94.2Very high93.3Very high14 Ų1432.1 Ų32.112%0.11618%0.176CC..Hα-helixtrans-61.1-41176.400000111.9L8 L12 K29 V30 A37L8-A33 HydrophobicContact CD1-CB 3.99Å; L12-A33 HydrophobicContact CD2-CB 4.38Å; K29-A33 VanDerWaalsContact O-CB 3.3Å; K29-A33 WeakPolarHBondContact O-CB 3.49Å; K29-A33 PolarHBondContact O-N 2.9Å; V30-A33 PolarHBondContact O-N 3.32Å; A33-A37 WeakPolarHBondContact O-CB 3.19Å; A33-A37 PolarHBondContact O-N 3.29Å
34L95.4Very high93.1Very high37 Ų3732.4 Ų32.419%0.19418%0.182CC..Hα-helixtrans-63.7-48.7176.2176.265.5000111.5V30 T31 V32 L36 A37 C38 F272 L273 W276V30-L34 WeakPolarHBondContact O-CB 3.43Å; V30-L34 PolarHBondContact O-N 3.47Å; T31-L34 WeakPolarHBondContact O-CB 3.44Å; T31-L34 PolarHBondContact O-N 2.85Å; V32-L34 VanDerWaalsContact C-N 3.3Å; V32-L34 PolarHBondContact O-N 2.95Å; L34-L36 PolarHBondContact O-N 3.35Å; L34-A37 WeakPolarHBondContact O-CB 3.39Å; L34-A37 PolarHBondContact O-N 2.88Å; L34-C38 PolarHBondContact O-N 3.42Å; L34-C38 PolarHBondContact O-SG 3.11Å; L34-C38 VanDerWaalsContact O-SG 3.35Å; L34-F272 HydrophobicContact CD1-CD1 4.38Å; L34-F272 HydrophobicContact CD1-CE1 3.59Å; L34-F272 HydrophobicContact CD1-CZ 4.44Å; L34-F272 HydrophobicContact CD2-CD1 4.48Å; L34-F272 HydrophobicContact CD2-CE1 3.69Å; L34-F272 HydrophobicContact CG-CE1 4.21Å; L34-L273 HydrophobicContact CD2-CD2 3.76Å; L34-L273 HydrophobicContact CG-CD2 4.02Å; L34-W276 HydrophobicContact CD2-CB 4.41Å; L34-W276 HydrophobicContact CD2-CD2 3.82Å; L34-W276 HydrophobicContact CD2-CG 3.72Å
35L96.2Very high92.7Very high0 Ų035 Ų350%019%0.194CC..Hα-helixtrans-59-48177.6-73.6170.9000111.4T31 V32 A37 C38 T39 L117 E120 F124 L273 F277T31-L35 HydrophobicContact CG2-CD1 4.03Å; T31-L35 HydrophobicContact CG2-CG 4.33Å; T31-L35 WeakPolarHBondContact O-CB 3.38Å; T31-L35 VanDerWaalsContact O-CG 3.25Å; T31-L35 WeakPolarHBondContact O-CG 3.21Å; T31-L35 PolarHBondContact O-N 3.25Å; V32-L35 PolarHBondContact O-N 3.43Å; L35-A37 VanDerWaalsContact C-N 3.29Å; L35-A37 PolarHBondContact O-N 3.35Å; L35-C38 WeakPolarHBondContact O-CB 3.47Å; L35-C38 PolarHBondContact O-N 3.39Å; L35-C38 VanDerWaalsContact O-N 3.14Å; L35-T39 PolarHBondContact O-N 3.05Å; L35-T39 PolarHBondContact O-OG1 2.79Å; L35-L117 HydrophobicContact CD2-CD2 3.78Å; L35-E120 HydrophobicContact CD1-CB 3.86Å; L35-E120 HydrophobicContact CD2-CB 4.47Å; L35-F124 HydrophobicContact CD1-CD2 3.89Å; L35-F124 HydrophobicContact CD1-CE2 4.39Å; L35-F124 HydrophobicContact CD1-CG 4.39Å; L35-L273 HydrophobicContact CD2-CD1 4.42Å; L35-L273 HydrophobicContact CD2-CD2 4.31Å; L35-F277 HydrophobicContact CD2-CZ 4Å
36L94.9Very high92.4Very high77 Ų7734.5 Ų34.540%0.40319%0.189SC..Hα-helixtrans-61.3-36.9176.8-70.5173.8000112.6V32 L34 F40 L118 S121V32-L36 HydrophobicContact CG1-CD1 4Å; V32-L36 HydrophobicContact CG1-CG 4.42Å; V32-L36 WeakPolarHBondContact O-CB 3.47Å; V32-L36 VanDerWaalsContact O-CG 3.29Å; V32-L36 WeakPolarHBondContact O-CG 3.43Å; V32-L36 PolarHBondContact O-N 2.97Å; L34-L36 PolarHBondContact O-N 3.35Å; L36-F40 WeakPolarHBondContact O-CB 3.33Å; L36-F40 PolarHBondContact O-N 3.27Å; L36-L118 HydrophobicContact CD2-CD1 3.96Å; L36-S121 WeakPolarHBondContact CD2-OG 3.38Å
37A93.9Very high91.8Very high47 Ų4739.9 Ų39.939%0.38821%0.208SC..Hα-helixtrans-65.4-44.4174.300000111.4A33 L34 L35 F40 L41A33-A37 WeakPolarHBondContact O-CB 3.19Å; A33-A37 PolarHBondContact O-N 3.29Å; L34-A37 WeakPolarHBondContact O-CB 3.39Å; L34-A37 PolarHBondContact O-N 2.88Å; L35-A37 VanDerWaalsContact C-N 3.29Å; L35-A37 PolarHBondContact O-N 3.35Å; A37-F40 PolarHBondContact O-N 3.15Å; A37-L41 VanDerWaalsContact O-CG 3.3Å; A37-L41 WeakPolarHBondContact O-CG 3.44Å; A37-L41 PolarHBondContact O-N 3.35Å
38C94.4Very high91Very high9 Ų948.8 Ų48.86%0.06125%0.247CC..Hα-helixtrans-62.4-44.1174.6-67.70000112.1L34 L35 F40 L41 L42 L117 I269L34-C38 PolarHBondContact O-N 3.42Å; L34-C38 PolarHBondContact O-SG 3.11Å; L34-C38 VanDerWaalsContact O-SG 3.35Å; L35-C38 WeakPolarHBondContact O-CB 3.47Å; L35-C38 PolarHBondContact O-N 3.39Å; L35-C38 VanDerWaalsContact O-N 3.14Å; C38-F40 VanDerWaalsContact C-N 3.32Å; C38-F40 PolarHBondContact O-N 3.1Å; C38-L41 PolarHBondContact O-N 3.18Å; C38-L42 PolarHBondContact O-N 3.47Å; C38-L117 HydrophobicContact CB-CD1 4.16Å; C38-I269 HydrophobicContact CB-CG2 4.02Å
39T94.3Very high90.4Very high11 Ų1149.9 Ų49.97%0.06726%0.258CS..Hα-helixtrans-56.8-46.3174.3-58.80000110.9L35 S43 V114 L117 L118L35-T39 PolarHBondContact O-N 3.05Å; L35-T39 PolarHBondContact O-OG1 2.79Å; T39-S43 VanDerWaalsContact O-CB 3.28Å; T39-S43 WeakPolarHBondContact O-CB 3.41Å; T39-S43 PolarHBondContact O-N 3.11Å; T39-S43 PolarHBondContact O-OG 3.41Å; T39-V114 HydrophobicContact CG2-CG1 3.85Å; T39-L117 WeakPolarHBondContact OG1-CB 3Å; T39-L118 HydrophobicContact CG2-CB 4.02Å; T39-L118 HydrophobicContact CG2-CD1 4.42Å
40F92Very high90Very high150 Ų15052.9 Ų52.966%0.65828%0.275SS*.Hα-helixtrans-64.2-46178.9176.8-98.4000112L36 A37 C38 S43 S44L36-F40 WeakPolarHBondContact O-CB 3.33Å; L36-F40 PolarHBondContact O-N 3.27Å; A37-F40 PolarHBondContact O-N 3.15Å; C38-F40 VanDerWaalsContact C-N 3.32Å; C38-F40 PolarHBondContact O-N 3.1Å; F40-S43 PolarHBondContact O-N 3.36Å; F40-S44 PolarHBondContact O-N 3.26Å
41L90.9Very high89.5Confident89 Ų8951.5 Ų51.547%0.46627%0.268SS..Hα-helixtrans-59.7-48178.1-73171.5000111.5A37 C38 S44 K45A37-L41 VanDerWaalsContact O-CG 3.3Å; A37-L41 WeakPolarHBondContact O-CG 3.44Å; A37-L41 PolarHBondContact O-N 3.35Å; C38-L41 PolarHBondContact O-N 3.18Å; L41-S44 PolarHBondContact O-N 3.34Å; L41-S44 PolarHBondContact O-OG 3.35Å; L41-K45 PolarHBondContact O-N 2.95Å
42L90.7Very high89.1Confident1 Ų151.8 Ų51.81%0.00527%0.269CS..Hα-helixtrans-67.8-41.6178.9-72177.5000112.7C38 S44 K45 Q46 V113 V114 L117 L262 L265 N266 I269C38-L42 PolarHBondContact O-N 3.47Å; L42-S44 PolarHBondContact O-N 3.17Å; L42-K45 PolarHBondContact O-N 3.33Å; L42-K45 VanDerWaalsContact O-N 3.13Å; L42-Q46 WeakPolarHBondContact O-CB 3.48Å; L42-Q46 PolarHBondContact O-N 2.88Å; L42-V113 HydrophobicContact CD1-CG1 3.52Å; L42-V114 HydrophobicContact CB-CG2 3.7Å; L42-L117 HydrophobicContact CD1-CD1 3.59Å; L42-L262 HydrophobicContact CD2-CD1 4.18Å; L42-L265 HydrophobicContact CD2-CB 4.29Å; L42-L265 HydrophobicContact CD2-CD2 3.68Å; L42-L265 HydrophobicContact CD2-CG 3.73Å; L42-N266 WeakPolarHBondContact CD1-OD1 3.35Å; L42-N266 WeakPolarHBondContact CD2-OD1 3.44Å; L42-I269 HydrophobicContact CD1-CD1 4.12Å; L42-I269 HydrophobicContact CD2-CD1 3.75Å; L42-I269 HydrophobicContact CG-CD1 3.69Å
43S90.6Very high88.8Confident28 Ų2855.4 Ų55.420%0.19629%0.285CS..Hα-helixtrans-57.1-40.6174.6-57.80000111.6T39 F40 K45 Q46 Y47 V114T39-S43 VanDerWaalsContact O-CB 3.28Å; T39-S43 WeakPolarHBondContact O-CB 3.41Å; T39-S43 PolarHBondContact O-N 3.11Å; T39-S43 PolarHBondContact O-OG 3.41Å; F40-S43 PolarHBondContact O-N 3.36Å; S43-K45 VanDerWaalsContact C-N 3.28Å; S43-K45 PolarHBondContact O-N 3.42Å; S43-Q46 PolarHBondContact O-N 3.02Å; S43-Y47 WeakPolarHBondContact O-CD2 3.4Å; S43-Y47 PolarHBondContact O-N 3.49Å; S43-V114 WeakPolarHBondContact OG-CG1 3.31Å
44S87.8Confident88.6Confident51 Ų5155.4 Ų55.436%0.35729%0.285SS..Hα-helixtrans-59.3-41.6179.377.30000111.7F40 L41 L42 F48F40-S44 PolarHBondContact O-N 3.26Å; L41-S44 PolarHBondContact O-N 3.34Å; L41-S44 PolarHBondContact O-OG 3.35Å; L42-S44 PolarHBondContact O-N 3.17Å; S44-F48 WeakPolarHBondContact O-CB 3.24Å; S44-F48 PolarHBondContact O-N 3.34Å; S44-F48 VanDerWaalsContact O-N 3.12Å
45K85.1Confident88.2Confident63 Ų6361.4 Ų61.427%0.27431%0.309SS..Hα-helixtrans-78.9-32.2-180-173.656.2-176.6153.90112.8L41 L42 S43 G49 D50 L262 L265L41-K45 PolarHBondContact O-N 2.95Å; L42-K45 PolarHBondContact O-N 3.33Å; L42-K45 VanDerWaalsContact O-N 3.13Å; S43-K45 VanDerWaalsContact C-N 3.28Å; S43-K45 PolarHBondContact O-N 3.42Å; K45-G49 CarbonylContact O-C 3.59Å; K45-G49 PolarHBondContact O-N 3.1Å; K45-D50 WeakPolarHBondContact CE-O 3.27Å; K45-D50 PolarHBondContact NZ-O 3.35Å; K45-L262 HydrophobicContact CB-CD1 4.07Å; K45-L262 HydrophobicContact CG-CD1 3.93Å; K45-L265 HydrophobicContact CB-CD2 4.33Å
46Q84.7Confident87.7Confident19 Ų1962.7 Ų62.79%0.08932%0.323CS..Hα-helixtrans-74.9-36.9-178.6-177.3168.5-21.300113.1L42 S43 W68 Q111L42-Q46 WeakPolarHBondContact O-CB 3.48Å; L42-Q46 PolarHBondContact O-N 2.88Å; S43-Q46 PolarHBondContact O-N 3.02Å; Q46-W68 HydrophobicContact CG-CH2 4.16Å; Q46-W68 HydrophobicContact CG-CZ2 3.8Å; Q46-Q111 PolarHBondContact NE2-O 2.91Å
47Y81.3Confident86.9Confident152 Ų15266.5 Ų66.560%0.59634%0.344SS*.Hα-helixtrans-103.4-30-175.7-66.1-70.2000114.6S43S43-Y47 WeakPolarHBondContact O-CD2 3.4Å; S43-Y47 PolarHBondContact O-N 3.49Å
48F77Confident86.4Confident188 Ų18872.1 Ų72.183%0.82536%0.359SS*.Hα-helixtrans-112.2-7.1-176.2-58.3-81.3000114.1S44S44-F48 WeakPolarHBondContact O-CB 3.24Å; S44-F48 PolarHBondContact O-N 3.34Å; S44-F48 VanDerWaalsContact O-N 3.12Å
49G79.8Confident86Confident23 Ų2377 Ų7724%0.23739%0.385CS..SBendtrans-117.9177.4173.500000111.3K45 P51K45-G49 CarbonylContact O-C 3.59Å; K45-G49 PolarHBondContact O-N 3.1Å; G49-P51 WeakPolarHBondContact O-CD 3.42Å
50D81.8Confident85.8Confident92 Ų9278.3 Ų78.349%0.49239%0.39SS..  trans-82.1111.6175.3-47-43.8000109.9K45 Q53K45-D50 WeakPolarHBondContact CE-O 3.27Å; K45-D50 PolarHBondContact NZ-O 3.35Å; D50-Q53 HydrophobicContact CB-CG 3.92Å; D50-Q53 PolarHBondContact OD2-NE2 2.99Å; D50-Q53 VanDerWaalsContact OD2-NE2 3.14Å
51P82.6Confident85.7Confident22 Ų2277.8 Ų77.814%0.14340%0.395CS..SBendtrans-82.9-25.4-176.235.2-36000112.2G49 W68 L262G49-P51 WeakPolarHBondContact O-CD 3.42Å; P51-W68 HydrophobicContact CB-CD2 4.28Å; P51-W68 HydrophobicContact CB-CE3 3.78Å; P51-W68 HydrophobicContact CB-CH2 3.67Å; P51-W68 HydrophobicContact CB-CZ2 4.2Å; P51-W68 HydrophobicContact CB-CZ3 3.45Å; P51-W68 VanDerWaalsContact CB-CZ3 3.45Å; P51-W68 HydrophobicContact CG-CD2 3.76Å; P51-W68 HydrophobicContact CG-CE3 3.68Å; P51-W68 HydrophobicContact CG-CG 4.38Å; P51-W68 HydrophobicContact CG-CH2 4.15Å; P51-W68 HydrophobicContact CG-CZ2 4.25Å; P51-W68 HydrophobicContact CG-CZ3 3.89Å; P51-L262 HydrophobicContact CB-CD2 4.37Å
52I88Confident85.7Confident5 Ų580.5 Ų80.53%0.02640%0.4CS..  trans-138.1136.9175.3-166.9168.6000109.5H64 C67 W68 A72 C258 L259 L260I52-H64 WeakPolarHBondContact CG2-O 3.42Å; I52-C67 HydrophobicContact CD1-CB 3.94Å; I52-W68 HydrophobicContact CB-CE3 4.35Å; I52-W68 HydrophobicContact CG2-CB 3.8Å; I52-W68 HydrophobicContact CG2-CE3 4.28Å; I52-A72 HydrophobicContact CD1-CB 4.41Å; I52-C258 HydrophobicContact CD1-CB 3.73Å; I52-C258 HydrophobicContact CG1-CB 3.69Å; I52-L259 WeakPolarHBondContact CA-O 3.43Å; I52-L260 HydrophobicContact CG1-CG 4.44Å
53Q89.4Confident85.7Confident85 Ų8580.5 Ų80.540%0.39740%0.4SS..EExtended strand (participates in β ladder)trans-129.1111.8177.1-72.5-176.4-2700109.2D50 C258 L259D50-Q53 HydrophobicContact CB-CG 3.92Å; D50-Q53 PolarHBondContact OD2-NE2 2.99Å; D50-Q53 VanDerWaalsContact OD2-NE2 3.14Å; Q53-C258 CarbonylContact O-C 3.51Å; Q53-C258 WeakPolarHBondContact O-CA 3.49Å; Q53-L259 PolarHBondContact N-O 3.33Å; Q53-L259 PolarHBondContact O-N 2.85Å
54C89.4Confident85.7Confident15 Ų1581.4 Ų81.410%0.10140%0.401CS..EExtended strand (participates in β ladder)trans-96.6155.5-179.7-55.30000112.2M60 V63 H64 L257 C258C54-M60 VanDerWaalsContact C-CE 3.44Å; C54-M60 HydrophobicContact CB-CE 3.92Å; C54-M60 WeakPolarHBondContact O-CE 3.37Å; C54-V63 HydrophobicContact CB-CG1 4.02Å; C54-H64 PolarHBondContact N-CE1 3.11Å; C54-H64 PolarHBondContact N-ND1 3.07Å; C54-H64 VanDerWaalsContact N-ND1 3.12Å; C54-H64 PolarHBondContact O-CE1 3.04Å; C54-L257 CarbonylContact C-O 3.29Å; C54-L257 VanDerWaalsContact CA-O 3.31Å; C54-L257 WeakPolarHBondContact CA-O 3.38Å; C54-C258 HydrophobicContact CB-CB 4.08Å; C54-C258 WeakPolarHBondContact CB-SG 3.29Å; C54-C258 WeakPolarHBondContact SG-CB 3.38Å; C54-C258 CovalentContact SG-SG 2.05Å; C54-C258 PolarHBondContact SG-SG 3.43Å
55F87.3Confident85.8Confident162 Ų16281.1 Ų81.171%0.71140%0.402SS*.EExtended strand (participates in β ladder)trans-101.3132.1174.8-177.8-95.7000110.5L257F55-L257 PolarHBondContact N-O 2.89Å
56G85.6Confident86.1Confident28 Ų2880 Ų8029%0.28940%0.397SS..  trans173.9173.8178.500000112.7M60G56-M60 WeakPolarHBondContact CA-SD 3.41Å
57D78.5Confident86.3Confident157 Ų15779 Ų7984%0.8439%0.393SS*.SBendtrans-99.9-22.1-168.6-64.8-32.3000115
58K83.4Confident86.7Confident164 Ų16474 Ų7471%0.71337%0.372SS*.SBendtrans-143.4147.4-172.6-65.7-174.4-179.6179.30112.4M60K58-M60 VanDerWaalsContact C-N 3.27Å; K58-M60 PolarHBondContact O-N 3.19Å
59D85.8Confident87.2Confident113 Ų11369.9 Ų69.960%0.60436%0.358SS*.  trans51.940.2173.6-54.5-34.6000114D61 Y62 V63D59-D61 VanDerWaalsContact C-N 3.27Å; D59-D61 PolarHBondContact O-N 2.96Å; D59-Y62 WeakPolarHBondContact O-CB 3.44Å; D59-Y62 PolarHBondContact O-N 3.49Å; D59-Y62 VanDerWaalsContact O-N 3.07Å; D59-V63 PolarHBondContact O-N 3.19Å; D59-V63 VanDerWaalsContact O-N 3.13Å
60M90.1Very high87.5Confident37 Ų3776.3 Ų76.318%0.18238%0.376CS..Hα-helixtrans-62.4-31.7-171.2-67.2-53.2-62.700113.5C54 G56 K58 Y62 V63 H64C54-M60 VanDerWaalsContact C-CE 3.44Å; C54-M60 HydrophobicContact CB-CE 3.92Å; C54-M60 WeakPolarHBondContact O-CE 3.37Å; G56-M60 WeakPolarHBondContact CA-SD 3.41Å; K58-M60 VanDerWaalsContact C-N 3.27Å; K58-M60 PolarHBondContact O-N 3.19Å; M60-Y62 VanDerWaalsContact C-N 3.31Å; M60-Y62 PolarHBondContact O-N 2.96Å; M60-V63 HydrophobicContact CE-CG1 4.45Å; M60-V63 PolarHBondContact O-N 2.93Å; M60-H64 WeakPolarHBondContact O-CB 3.36Å; M60-H64 PolarHBondContact O-CD2 3.45Å; M60-H64 PolarHBondContact O-N 3.49Å
61D90.4Very high87.6Confident140 Ų14072.2 Ų72.275%0.74936%0.356SS*.Hα-helixtrans-61.3-40.8175.4-62.9-27.7000112D59 A65D59-D61 VanDerWaalsContact C-N 3.27Å; D59-D61 PolarHBondContact O-N 2.96Å; D61-A65 WeakPolarHBondContact O-CB 3.35Å; D61-A65 PolarHBondContact O-N 3.08Å; D61-A65 VanDerWaalsContact O-N 3.08Å
62Y90Very high87.7Confident145 Ų14571.2 Ų71.257%0.56935%0.349SS*.Hα-helixtrans-67-43.2174.8176.8-99000111.1D59 M60 A65 F66 M242D59-Y62 WeakPolarHBondContact O-CB 3.44Å; D59-Y62 PolarHBondContact O-N 3.49Å; D59-Y62 VanDerWaalsContact O-N 3.07Å; M60-Y62 VanDerWaalsContact C-N 3.31Å; M60-Y62 PolarHBondContact O-N 2.96Å; Y62-A65 PolarHBondContact O-N 3.41Å; Y62-F66 VanDerWaalsContact O-CB 3.28Å; Y62-F66 WeakPolarHBondContact O-CB 3.43Å; Y62-F66 PolarHBondContact O-N 3.4Å; Y62-M242 HydrophobicContact CD1-SD 4.07Å; Y62-M242 HydrophobicContact CE1-CE 4.29Å; Y62-M242 HydrophobicContact CE1-SD 3.54Å; Y62-M242 VanDerWaalsContact CE1-SD 3.54Å
63V90.8Very high87.6Confident1 Ų171 Ų711%0.00635%0.348CS..Hα-helixtrans-62.3-46.1178.1175.80000111C54 D59 M60 A65 F66 C67 Y256C54-V63 HydrophobicContact CB-CG1 4.02Å; D59-V63 PolarHBondContact O-N 3.19Å; D59-V63 VanDerWaalsContact O-N 3.13Å; M60-V63 HydrophobicContact CE-CG1 4.45Å; M60-V63 PolarHBondContact O-N 2.93Å; V63-A65 VanDerWaalsContact C-N 3.35Å; V63-A65 PolarHBondContact O-N 3.47Å; V63-F66 PolarHBondContact O-N 2.97Å; V63-C67 WeakPolarHBondContact O-CB 3.34Å; V63-C67 PolarHBondContact O-N 3.2Å; V63-C67 PolarHBondContact O-SG 2.94Å; V63-Y256 HydrophobicContact CB-CE1 4.45Å; V63-Y256 HydrophobicContact CG1-CD1 3.61Å; V63-Y256 HydrophobicContact CG1-CD2 3.72Å; V63-Y256 HydrophobicContact CG1-CE1 3.85Å; V63-Y256 HydrophobicContact CG1-CE2 3.96Å; V63-Y256 HydrophobicContact CG1-CG 3.52Å; V63-Y256 HydrophobicContact CG2-CD1 4.4Å; V63-Y256 HydrophobicContact CG2-CE1 3.77Å; V63-Y256 HydrophobicContact CG2-CE2 3.99Å
64H90.9Very high87.1Confident47 Ų4767.9 Ų67.922%0.21834%0.335CS..Hα-helixtrans-57.8-47.8176.4-64.8-33.9000111.1I52 C54 M60 W68I52-H64 WeakPolarHBondContact CG2-O 3.42Å; C54-H64 PolarHBondContact N-CE1 3.11Å; C54-H64 PolarHBondContact N-ND1 3.07Å; C54-H64 VanDerWaalsContact N-ND1 3.12Å; C54-H64 PolarHBondContact O-CE1 3.04Å; M60-H64 WeakPolarHBondContact O-CB 3.36Å; M60-H64 PolarHBondContact O-CD2 3.45Å; M60-H64 PolarHBondContact O-N 3.49Å; H64-W68 VanDerWaalsContact O-CB 3.25Å; H64-W68 WeakPolarHBondContact O-CB 3.35Å; H64-W68 PolarHBondContact O-N 3.38Å
65A90.3Very high86.2Confident46 Ų4667.7 Ų67.738%0.3833%0.333SS..Hα-helixtrans-65.1-44.3178.300000112.3D61 Y62 V63 W68 I69D61-A65 WeakPolarHBondContact O-CB 3.35Å; D61-A65 PolarHBondContact O-N 3.08Å; D61-A65 VanDerWaalsContact O-N 3.08Å; Y62-A65 PolarHBondContact O-N 3.41Å; V63-A65 VanDerWaalsContact C-N 3.35Å; V63-A65 PolarHBondContact O-N 3.47Å; A65-W68 PolarHBondContact O-N 3.03Å; A65-I69 WeakPolarHBondContact O-CB 3.46Å; A65-I69 WeakPolarHBondContact O-CD1 3.44Å; A65-I69 VanDerWaalsContact O-CG1 3.24Å; A65-I69 WeakPolarHBondContact O-CG1 3.37Å; A65-I69 PolarHBondContact O-N 3.17Å
66F90.8Very high85Confident38 Ų3863.4 Ų63.417%0.16732%0.318CS..Hα-helixtrans-60.3-51.7178.7-177.8-86000111.1Y62 V63 W68 I69 Y70 M242Y62-F66 VanDerWaalsContact O-CB 3.28Å; Y62-F66 WeakPolarHBondContact O-CB 3.43Å; Y62-F66 PolarHBondContact O-N 3.4Å; V63-F66 PolarHBondContact O-N 2.97Å; F66-W68 VanDerWaalsContact C-N 3.27Å; F66-W68 PolarHBondContact O-N 3.16Å; F66-I69 PolarHBondContact O-N 3.24Å; F66-Y70 HydrophobicContact CD1-CD2 4.29Å; F66-Y70 AromaticContact CD2-CD2 3.53Å; F66-Y70 HydrophobicContact CD2-CD2 3.53Å; F66-Y70 AromaticContact CD2-CE2 3.71Å; F66-Y70 HydrophobicContact CD2-CE2 3.71Å; F66-Y70 HydrophobicContact CE1-CD2 4.21Å; F66-Y70 AromaticContact CE2-CD2 3.43Å; F66-Y70 HydrophobicContact CE2-CD2 3.43Å; F66-Y70 VanDerWaalsContact CE2-CD2 3.43Å; F66-Y70 AromaticContact CE2-CE2 3.61Å; F66-Y70 HydrophobicContact CE2-CE2 3.61Å; F66-Y70 HydrophobicContact CE2-CG 4.2Å; F66-Y70 AromaticContact CG-CD2 3.96Å; F66-Y70 HydrophobicContact CG-CD2 3.96Å; F66-Y70 AromaticContact CZ-CD2 3.79Å; F66-Y70 HydrophobicContact CZ-CD2 3.79Å; F66-Y70 HydrophobicContact CZ-CE2 4.35Å; F66-Y70 HydrophobicContact CZ-CG 4.14Å; F66-Y70 WeakPolarHBondContact O-CD2 3.49Å; F66-Y70 PolarHBondContact O-N 3.39Å; F66-M242 HydrophobicContact CB-SD 4.44Å; F66-M242 HydrophobicContact CD1-CB 4.1Å; F66-M242 HydrophobicContact CD1-CG 3.87Å; F66-M242 HydrophobicContact CD1-SD 4.15Å; F66-M242 HydrophobicContact CD2-CG 4.32Å; F66-M242 HydrophobicContact CD2-SD 4.39Å; F66-M242 HydrophobicContact CE1-CB 3.84Å; F66-M242 HydrophobicContact CE1-CG 3.72Å; F66-M242 HydrophobicContact CE2-CG 4.18Å; F66-M242 HydrophobicContact CG-CG 4.19Å; F66-M242 HydrophobicContact CG-SD 4.06Å; F66-M242 HydrophobicContact CZ-CB 4.38Å; F66-M242 HydrophobicContact CZ-CG 3.89Å
67C89.3Confident83.6Confident0 Ų066.9 Ų66.90%033%0.33CS..Hα-helixtrans-66.7-29.7-179.4-62.80000112.6I52 V63 G71 C240I52-C67 HydrophobicContact CD1-CB 3.94Å; V63-C67 WeakPolarHBondContact O-CB 3.34Å; V63-C67 PolarHBondContact O-N 3.2Å; V63-C67 PolarHBondContact O-SG 2.94Å; C67-G71 CarbonylContact O-C 3.51Å; C67-G71 VanDerWaalsContact O-C 3.29Å; C67-G71 VanDerWaalsContact O-CA 3.22Å; C67-G71 WeakPolarHBondContact O-CA 3.23Å; C67-G71 PolarHBondContact O-N 3.02Å; C67-G71 VanDerWaalsContact O-N 3.11Å; C67-C240 WeakPolarHBondContact CA-SG 3.42Å; C67-C240 HydrophobicContact CB-CB 3.73Å; C67-C240 WeakPolarHBondContact CB-SG 3.4Å; C67-C240 WeakPolarHBondContact SG-CB 3.16Å; C67-C240 CovalentContact SG-SG 2.03Å; C67-C240 PolarHBondContact SG-SG 3.04Å
68W89.1Confident82.5Confident46 Ų4662.1 Ų62.117%0.17431%0.306CS..Hα-helixtrans-68.4-42.6171.6178.3-109.9000112.8Q46 P51 I52 H64 A65 F66 Y110 Q111 L262Q46-W68 HydrophobicContact CG-CH2 4.16Å; Q46-W68 HydrophobicContact CG-CZ2 3.8Å; P51-W68 HydrophobicContact CB-CD2 4.28Å; P51-W68 HydrophobicContact CB-CE3 3.78Å; P51-W68 HydrophobicContact CB-CH2 3.67Å; P51-W68 HydrophobicContact CB-CZ2 4.2Å; P51-W68 HydrophobicContact CB-CZ3 3.45Å; P51-W68 VanDerWaalsContact CB-CZ3 3.45Å; P51-W68 HydrophobicContact CG-CD2 3.76Å; P51-W68 HydrophobicContact CG-CE3 3.68Å; P51-W68 HydrophobicContact CG-CG 4.38Å; P51-W68 HydrophobicContact CG-CH2 4.15Å; P51-W68 HydrophobicContact CG-CZ2 4.25Å; P51-W68 HydrophobicContact CG-CZ3 3.89Å; I52-W68 HydrophobicContact CB-CE3 4.35Å; I52-W68 HydrophobicContact CG2-CB 3.8Å; I52-W68 HydrophobicContact CG2-CE3 4.28Å; H64-W68 VanDerWaalsContact O-CB 3.25Å; H64-W68 WeakPolarHBondContact O-CB 3.35Å; H64-W68 PolarHBondContact O-N 3.38Å; A65-W68 PolarHBondContact O-N 3.03Å; F66-W68 VanDerWaalsContact C-N 3.27Å; F66-W68 PolarHBondContact O-N 3.16Å; W68-Y110 HydrophobicContact CD2-CE2 4.12Å; W68-Y110 AromaticContact CE3-CD2 3.96Å; W68-Y110 HydrophobicContact CE3-CD2 3.96Å; W68-Y110 AromaticContact CE3-CE2 3.41Å; W68-Y110 HydrophobicContact CE3-CE2 3.41Å; W68-Y110 VanDerWaalsContact CE3-CE2 3.41Å; W68-Y110 AromaticContact CH2-CD2 3.22Å; W68-Y110 HydrophobicContact CH2-CD2 3.22Å; W68-Y110 AromaticContact CH2-CE2 3.57Å; W68-Y110 HydrophobicContact CH2-CE2 3.57Å; W68-Y110 HydrophobicContact CH2-CG 4.25Å; W68-Y110 HydrophobicContact CZ2-CD2 4.08Å; W68-Y110 HydrophobicContact CZ2-CE2 4.23Å; W68-Y110 AromaticContact CZ3-CD2 3.12Å; W68-Y110 HydrophobicContact CZ3-CD2 3.12Å; W68-Y110 AromaticContact CZ3-CE2 3.09Å; W68-Y110 HydrophobicContact CZ3-CE2 3.09Å; W68-Y110 HydrophobicContact CZ3-CG 4.09Å; W68-Q111 HydrophobicContact CZ2-CG 4.39Å; W68-Q111 PolarHBondContact O-NE2 3.38Å; W68-L262 HydrophobicContact CH2-CD2 3.59Å; W68-L262 HydrophobicContact CZ3-CD2 4.05Å
69I88.3Confident80.8Confident101 Ų10158.5 Ų58.552%0.51830%0.298SS..Hα-helixtrans-76.4-51.7-175.1-69.1166.2000111.3A65 F66 Q111A65-I69 WeakPolarHBondContact O-CB 3.46Å; A65-I69 WeakPolarHBondContact O-CD1 3.44Å; A65-I69 VanDerWaalsContact O-CG1 3.24Å; A65-I69 WeakPolarHBondContact O-CG1 3.37Å; A65-I69 PolarHBondContact O-N 3.17Å; F66-I69 PolarHBondContact O-N 3.24Å; I69-Q111 PolarHBondContact O-NE2 3.11Å; I69-Q111 VanDerWaalsContact O-NE2 3.09Å
70Y86.6Confident79.1Confident159 Ų15957.3 Ų57.362%0.62429%0.294SS*.Hα-helixtrans-87-10-175.1-66.9-78.6000113.2F66F66-Y70 HydrophobicContact CD1-CD2 4.29Å; F66-Y70 AromaticContact CD2-CD2 3.53Å; F66-Y70 HydrophobicContact CD2-CD2 3.53Å; F66-Y70 AromaticContact CD2-CE2 3.71Å; F66-Y70 HydrophobicContact CD2-CE2 3.71Å; F66-Y70 HydrophobicContact CE1-CD2 4.21Å; F66-Y70 AromaticContact CE2-CD2 3.43Å; F66-Y70 HydrophobicContact CE2-CD2 3.43Å; F66-Y70 VanDerWaalsContact CE2-CD2 3.43Å; F66-Y70 AromaticContact CE2-CE2 3.61Å; F66-Y70 HydrophobicContact CE2-CE2 3.61Å; F66-Y70 HydrophobicContact CE2-CG 4.2Å; F66-Y70 AromaticContact CG-CD2 3.96Å; F66-Y70 HydrophobicContact CG-CD2 3.96Å; F66-Y70 AromaticContact CZ-CD2 3.79Å; F66-Y70 HydrophobicContact CZ-CD2 3.79Å; F66-Y70 HydrophobicContact CZ-CE2 4.35Å; F66-Y70 HydrophobicContact CZ-CG 4.14Å; F66-Y70 WeakPolarHBondContact O-CD2 3.49Å; F66-Y70 PolarHBondContact O-N 3.39Å
71G83.8Confident77.1Confident6 Ų660 Ų606%0.06231%0.313CS..  trans88159.5175.700000113.7C67C67-G71 CarbonylContact O-C 3.51Å; C67-G71 VanDerWaalsContact O-C 3.29Å; C67-G71 VanDerWaalsContact O-CA 3.22Å; C67-G71 WeakPolarHBondContact O-CA 3.23Å; C67-G71 PolarHBondContact O-N 3.02Å; C67-G71 VanDerWaalsContact O-N 3.11Å
72A84.9Confident75.1Confident0 Ų058.5 Ų58.50%031%0.311CS..EExtended strand (participates in β ladder)trans-113.4156.9170.800000108.9I52 I107 A238 K239 C240I52-A72 HydrophobicContact CD1-CB 4.41Å; A72-I107 PolarHBondContact O-N 3.01Å; A72-A238 HydrophobicContact CB-CB 3.45Å; A72-A238 VanDerWaalsContact CB-CB 3.45Å; A72-K239 CarbonylContact C-O 3.55Å; A72-K239 WeakPolarHBondContact CA-O 3.47Å; A72-K239 WeakPolarHBondContact CB-O 3.49Å; A72-C240 HydrophobicContact CB-CB 4.39Å
73Y84.6Confident73.2Confident2 Ų254.7 Ų54.71%0.00830%0.3CS..EExtended strand (participates in β ladder)trans-123.1160.9-178.371.2-91.8000112.2V99 R104 N105 Y106 K239 E241Y73-V99 HydrophobicContact CE2-CB 4.22Å; Y73-V99 HydrophobicContact CE2-CG2 4.49Å; Y73-R104 HydrophobicContact CD2-CB 3.84Å; Y73-R104 HydrophobicContact CD2-CG 3.59Å; Y73-R104 HydrophobicContact CE2-CG 3.82Å; Y73-R104 HydrophobicContact CG-CB 4.01Å; Y73-R104 HydrophobicContact CG-CG 4.08Å; Y73-N105 VanDerWaalsContact CA-O 3.23Å; Y73-N105 WeakPolarHBondContact CA-O 3.5Å; Y73-N105 WeakPolarHBondContact CB-O 3.49Å; Y73-Y106 HydrophobicContact CD1-CE1 4.22Å; Y73-K239 VanDerWaalsContact CD1-O 3.29Å; Y73-K239 WeakPolarHBondContact CD1-O 3.41Å; Y73-K239 HydrophobicContact CE1-CB 4.24Å; Y73-K239 HydrophobicContact CE1-CG 4.17Å; Y73-K239 HydrophobicContact CE2-CB 4.19Å; Y73-K239 HydrophobicContact CE2-CD 4.45Å; Y73-K239 PolarHBondContact N-O 3.29Å; Y73-K239 PolarHBondContact O-N 3.48Å; Y73-K239 WeakPolarHBondContact OH-CD 3.41Å; Y73-K239 WeakPolarHBondContact OH-CE 3.47Å; Y73-E241 HydrophobicContact CE1-CB 4.28Å; Y73-E241 HydrophobicContact CE1-CG 3.85Å; Y73-E241 PolarHBondContact OH-OE1 3.46Å
74V78.3Confident71.2Confident19 Ų1966.5 Ų66.512%0.11535%0.345CS..EExtended strand (participates in β ladder)trans-127.3152172172.60000108.8P92 N105 I107 P235 C237 A238V74-P92 HydrophobicContact CG2-CB 4.24Å; V74-N105 PolarHBondContact N-O 3.06Å; V74-N105 PolarHBondContact O-N 3.34Å; V74-I107 HydrophobicContact CG2-CD1 3.73Å; V74-P235 HydrophobicContact CG2-CB 3.77Å; V74-P235 HydrophobicContact CG2-CG 4.22Å; V74-C237 WeakPolarHBondContact CG2-O 3.41Å; V74-A238 HydrophobicContact CG2-CB 3.99Å
75S72.3Confident69.4Low10 Ų1070.9 Ų70.97%0.0737%0.37CS..EExtended strand (participates in β ladder)trans-76.3137.5175.9179.80000111.8N77 V78 P92S75-N77 VanDerWaalsContact C-N 3.34Å; S75-N77 PolarHBondContact O-N 3.45Å; S75-V78 VanDerWaalsContact O-CG2 3.24Å; S75-V78 WeakPolarHBondContact O-CG2 3.41Å; S75-P92 WeakPolarHBondContact CB-O 3.29Å; S75-P92 PolarHBondContact N-O 3.06Å; S75-P92 VanDerWaalsContact N-O 3.1Å
76D61Low67.5Low73 Ų7372.4 Ų72.439%0.3939%0.39SS..SBendtrans-71.4-31-179.5-70.48000113V78 N103 N105D76-V78 PolarHBondContact O-N 3.26Å; D76-N103 PolarHBondContact N-O 3.43Å; D76-N105 WeakPolarHBondContact OD1-CB 3.45Å; D76-N105 PolarHBondContact OD1-ND2 3.15Å; D76-N105 PolarHBondContact OD2-ND2 3.43Å
77N57.3Low65.7Low101 Ų10173.6 Ų73.654%0.5441%0.407SS..  trans-9480.5178.6-72.5-28000110.2S75 T79 V95S75-N77 VanDerWaalsContact C-N 3.34Å; S75-N77 PolarHBondContact O-N 3.45Å; N77-T79 PolarHBondContact O-N 3.39Å; N77-V95 HydrophobicContact CB-CG2 4.41Å; N77-V95 WeakPolarHBondContact O-CG2 3.43Å
78V53.9Low64.1Low56 Ų5678.8 Ų78.834%0.33945%0.45SS..  trans-88.184.1173.8-173.60000109.6S75 D76 V80 A94S75-V78 VanDerWaalsContact O-CG2 3.24Å; S75-V78 WeakPolarHBondContact O-CG2 3.41Å; D76-V78 PolarHBondContact O-N 3.26Å; V78-V80 HydrophobicContact CG1-CG2 3.66Å; V78-V80 PolarHBondContact O-N 3.4Å; V78-A94 HydrophobicContact CG1-CB 4.12Å
79T47.5Very low62.6Low89 Ų8981.8 Ų81.855%0.54647%0.466SS..  trans-86.299.3164.758.10000109N77 T81 V95N77-T79 PolarHBondContact O-N 3.39Å; T79-T81 PolarHBondContact O-N 3.32Å; T79-T81 VanDerWaalsContact O-N 3.16Å; T79-V95 HydrophobicContact CG2-CG2 4.43Å; T79-V95 WeakPolarHBondContact OG1-CG2 3.36Å
80V52Low61.3Low87 Ų8778.5 Ų78.553%0.52745%0.451SS..  trans-76.6105.9177-169.20000108.6V78 I228V78-V80 HydrophobicContact CG1-CG2 3.66Å; V78-V80 PolarHBondContact O-N 3.4Å; V80-I228 HydrophobicContact CB-CD1 4.43Å; V80-I228 HydrophobicContact CG2-CD1 4.02Å; V80-I228 HydrophobicContact CG2-CG1 3.77Å
81T46.9Very low60.2Low94 Ų9476.3 Ų76.358%0.57744%0.442SS*.PPolyproline II helixtrans-75.5122.3156.139.40000107.1T79 L83T79-T81 PolarHBondContact O-N 3.32Å; T79-T81 VanDerWaalsContact O-N 3.16Å; T81-L83 PolarHBondContact O-N 3.36Å; T81-L83 VanDerWaalsContact O-N 3.14Å
82P48.7Very low58.9Low109 Ų10976.6 Ų76.671%0.70844%0.443SS*.PPolyproline II helixtrans-60.6122.6175.823-29.8000107.9R84P82-R84 PolarHBondContact O-N 3.47Å; P82-R84 VanDerWaalsContact O-N 3.16Å
83L50.7Low57.4Low65 Ų6578.1 Ų78.134%0.3445%0.451SS..PPolyproline II helixtrans-61.7123.8171.2-95.584.9000107.6T81 N85 G86 Q89T81-L83 PolarHBondContact O-N 3.36Å; T81-L83 VanDerWaalsContact O-N 3.14Å; L83-N85 PolarHBondContact O-N 3.37Å; L83-G86 PolarHBondContact O-N 3.41Å; L83-Q89 HydrophobicContact CD1-CB 4.26Å; L83-Q89 HydrophobicContact CD2-CB 4.19Å
84R48.4Very low55.8Low248 Ų24879.1 Ų79.194%0.93646%0.46SS*.THydrogen-bonded Turntrans-54.9-5.2-175.4-135.6179.1-174.7-162.41.2115.2P82P82-R84 PolarHBondContact O-N 3.47Å; P82-R84 VanDerWaalsContact O-N 3.16Å
85N52.2Low54.4Low140 Ų14082.1 Ų82.175%0.74948%0.477SS*.THydrogen-bonded Turntrans-124.85.4-165.6-54.83.3000114.2L83 A87L83-N85 PolarHBondContact O-N 3.37Å; N85-A87 PolarHBondContact O-N 3.17Å
86G50.7Low53.1Low78 Ų7885.1 Ų85.180%0.80450%0.498SS*.  trans72.44178.300000116.1L83L83-G86 PolarHBondContact O-N 3.41Å
87A53Low52.9Low62 Ų6290.9 Ų90.951%0.51252%0.52SS..  trans-78125.1173.400000111N85 Q89N85-A87 PolarHBondContact O-N 3.17Å; A87-Q89 PolarHBondContact O-N 3.03Å
88A55Low53.1Low109 Ų10990.9 Ų90.990%0.90152%0.524SS*.  trans-73.3104.2171.800000109.5
89Q58.2Low53.7Low110 Ų11088.5 Ų88.551%0.51451%0.509SS..  trans-99.6124.1174.6-162.9172.22500110.4L83 A87 R91L83-Q89 HydrophobicContact CD1-CB 4.26Å; L83-Q89 HydrophobicContact CD2-CB 4.19Å; A87-Q89 PolarHBondContact O-N 3.03Å; Q89-R91 HydrophobicContact CB-CG 4.37Å; Q89-R91 HydrophobicContact CG-CG 4.09Å; Q89-R91 PolarHBondContact O-N 3.41Å; Q89-R91 VanDerWaalsContact OE1-CZ 3.26Å
90C60.8Low54.9Low32 Ų3286.7 Ų86.722%0.21650%0.499CS..  trans-64.794.4169.7-174.50000108.9P92 C237 L257C90-P92 WeakPolarHBondContact O-CD 3.39Å; C90-C237 HydrophobicContact CB-CB 4.17Å; C90-C237 WeakPolarHBondContact CB-SG 3.25Å; C90-C237 WeakPolarHBondContact SG-CB 3.41Å; C90-C237 CovalentContact SG-SG 2.02Å; C90-C237 PolarHBondContact SG-SG 3.42Å; C90-L257 HydrophobicContact CB-CD2 4.27Å
91R63.1Low56Low113 Ų11387.1 Ų87.143%0.42650%0.504SS..  trans-115.680.2177.9-74.1-167.4175.9171.70.2110.9Q89 D93Q89-R91 HydrophobicContact CB-CG 4.37Å; Q89-R91 HydrophobicContact CG-CG 4.09Å; Q89-R91 PolarHBondContact O-N 3.41Å; Q89-R91 VanDerWaalsContact OE1-CZ 3.26Å; R91-D93 PolarHBondContact O-N 3.2Å
92P57.1Low57.4Low12 Ų1290.2 Ų90.28%0.07851%0.511CS..SBendtrans-63.4-19.5172.927.2-33.6000112.4V74 S75 C90 K239 L257V74-P92 HydrophobicContact CG2-CB 4.24Å; S75-P92 WeakPolarHBondContact CB-O 3.29Å; S75-P92 PolarHBondContact N-O 3.06Å; S75-P92 VanDerWaalsContact N-O 3.1Å; C90-P92 WeakPolarHBondContact O-CD 3.39Å; P92-K239 HydrophobicContact CG-CB 4.14Å; P92-L257 HydrophobicContact CG-CD1 3.61Å
93D54.8Low58.6Low32 Ų3287.7 Ų87.717%0.17149%0.492CS..  trans-114.485.6176-55.3-23.7000109.7R91 V95 S96 V99 K239R91-D93 PolarHBondContact O-N 3.2Å; D93-V95 VanDerWaalsContact C-N 3.28Å; D93-V95 PolarHBondContact O-N 3.01Å; D93-S96 WeakPolarHBondContact CB-O 3.44Å; D93-V99 HydrophobicContact CB-CG2 4.12Å; D93-V99 WeakPolarHBondContact OD1-CG2 3.46Å; D93-K239 WeakPolarHBondContact OD2-CD 3.33Å; D93-K239 IonicContact OD2-NZ 3.36Å
94A51Low59.9Low23 Ų2385.8 Ų85.819%0.1948%0.48CS..SBendtrans-75.7-12.2-176.100000114.2V78V78-A94 HydrophobicContact CG1-CB 4.12Å
95V48Very low61.3Low81 Ų8178.4 Ų78.449%0.49146%0.459SS..SBendtrans-128.1-19.8-166.2-178.10000114.8N77 T79 D93N77-V95 HydrophobicContact CB-CG2 4.41Å; N77-V95 WeakPolarHBondContact O-CG2 3.43Å; T79-V95 HydrophobicContact CG2-CG2 4.43Å; T79-V95 WeakPolarHBondContact OG1-CG2 3.36Å; D93-V95 VanDerWaalsContact C-N 3.28Å; D93-V95 PolarHBondContact O-N 3.01Å
96S45.4Very low62.7Low73 Ų7377.5 Ų77.551%0.5145%0.446SS..  trans-158.9151.1-179.8-98.20000114.6D93 V98D93-S96 WeakPolarHBondContact CB-O 3.44Å; S96-V98 PolarHBondContact O-N 3.43Å
97K55.6Low64Low195 Ų19574.2 Ų74.285%0.84841%0.41SS*.SBendtrans-63.2-23.7175-68.5-177.7179.1179.80112.8
98V62.3Low65.2Low101 Ų10174 Ų7461%0.61240%0.403SS*.SBendtrans-133.4114.8178.3-176.40000108S96S96-V98 PolarHBondContact O-N 3.43Å
99V66.8Low66.6Low5 Ų570.4 Ų70.43%0.0337%0.366CS..  trans-87.6120.8172.2-1780000107.2Y73 D93 N103 R104Y73-V99 HydrophobicContact CE2-CB 4.22Å; Y73-V99 HydrophobicContact CE2-CG2 4.49Å; D93-V99 HydrophobicContact CB-CG2 4.12Å; D93-V99 WeakPolarHBondContact OD1-CG2 3.46Å; V99-N103 HydrophobicContact CG1-CB 3.98Å; V99-R104 HydrophobicContact CB-CG 4.32Å; V99-R104 HydrophobicContact CG1-CG 3.8Å; V99-R104 VanDerWaalsContact O-CZ 3.25Å; V99-R104 PolarHBondContact O-NE 3.23Å; V99-R104 PolarHBondContact O-NH2 3.48Å
100P72.8Confident67.7Low52 Ų5265.2 Ų65.234%0.33834%0.342SS..  trans-63.6148.9176.326.2-32.9000110.4E102 N103 R104P100-E102 HydrophobicContact CB-CG 4.21Å; P100-E102 HydrophobicContact CG-CG 4.27Å; P100-E102 PolarHBondContact O-N 3.23Å; P100-E102 VanDerWaalsContact O-N 3.09Å; P100-N103 HydrophobicContact CG-CB 4.38Å; P100-N103 PolarHBondContact O-N 3.28Å; P100-R104 WeakPolarHBondContact O-CG 3.45Å
101P74.8Confident68.9Low96 Ų9666.1 Ų66.162%0.62334%0.343SS*.G310 helixtrans-58.5-27.8-170.921-32.1000114.2N103 R104P101-N103 VanDerWaalsContact C-N 3.26Å; P101-N103 PolarHBondContact O-N 3.27Å; P101-R104 PolarHBondContact O-N 3.36Å
102E76.3Confident70.2Confident159 Ų15967.5 Ų67.574%0.74335%0.348SS*.G310 helixtrans-65.6-24176.264.5-167.8172.800114.3P100P100-E102 HydrophobicContact CB-CG 4.21Å; P100-E102 HydrophobicContact CG-CG 4.27Å; P100-E102 PolarHBondContact O-N 3.23Å; P100-E102 VanDerWaalsContact O-N 3.09Å
103N74.3Confident71.8Confident55 Ų5567 Ų6729%0.29435%0.345SS..G310 helixtrans-10617.8-178.1-66.5-35.7000112.4D76 V99 P100 P101D76-N103 PolarHBondContact N-O 3.43Å; V99-N103 HydrophobicContact CG1-CB 3.98Å; P100-N103 HydrophobicContact CG-CB 4.38Å; P100-N103 PolarHBondContact O-N 3.28Å; P101-N103 VanDerWaalsContact C-N 3.26Å; P101-N103 PolarHBondContact O-N 3.27Å
104R76.9Confident73.6Confident26 Ų2665.9 Ų65.910%0.09834%0.339CS..EExtended strand (participates in β ladder)trans-102.5113.6-179.2-62.8-178-169.2-173.2-11.1110.5Y73 V99 P100 P101 Y106 E241Y73-R104 HydrophobicContact CD2-CB 3.84Å; Y73-R104 HydrophobicContact CD2-CG 3.59Å; Y73-R104 HydrophobicContact CE2-CG 3.82Å; Y73-R104 HydrophobicContact CG-CB 4.01Å; Y73-R104 HydrophobicContact CG-CG 4.08Å; V99-R104 HydrophobicContact CB-CG 4.32Å; V99-R104 HydrophobicContact CG1-CG 3.8Å; V99-R104 VanDerWaalsContact O-CZ 3.25Å; V99-R104 PolarHBondContact O-NE 3.23Å; V99-R104 PolarHBondContact O-NH2 3.48Å; P100-R104 WeakPolarHBondContact O-CG 3.45Å; P101-R104 PolarHBondContact O-N 3.36Å; R104-Y106 HydrophobicContact CB-CD2 4.34Å; R104-Y106 HydrophobicContact CB-CE2 3.87Å; R104-Y106 PolarHBondContact O-N 2.89Å; R104-E241 IonicContact CZ-OE1 2.8Å; R104-E241 IonicContact CZ-OE2 3.43Å; R104-E241 VanDerWaalsContact NH1-CD 3.3Å; R104-E241 IonicContact NH1-OE1 2.85Å; R104-E241 IonicContact NH1-OE2 3.57Å; R104-E241 PolarHBondContact NH1-OE2 3.48Å; R104-E241 IonicContact NH2-OE1 3.65Å; R104-E241 PolarHBondContact NH2-OE1 3.25Å; R104-E241 IonicContact NH2-OE2 3.29Å; R104-E241 PolarHBondContact NH2-OE2 2.94Å
105N78.1Confident75.6Confident93 Ų9368.9 Ų68.950%0.49735%0.351SS..EExtended strand (participates in β ladder)trans-87.8104.9168.5-87.5-28000110.2Y73 V74 D76Y73-N105 VanDerWaalsContact CA-O 3.23Å; Y73-N105 WeakPolarHBondContact CA-O 3.5Å; Y73-N105 WeakPolarHBondContact CB-O 3.49Å; V74-N105 PolarHBondContact N-O 3.06Å; V74-N105 PolarHBondContact O-N 3.34Å; D76-N105 WeakPolarHBondContact OD1-CB 3.45Å; D76-N105 PolarHBondContact OD1-ND2 3.15Å; D76-N105 PolarHBondContact OD2-ND2 3.43Å
106Y81.3Confident77.7Confident120 Ų12066.6 Ų66.647%0.47134%0.338SS..EExtended strand (participates in β ladder)trans-74.8128.8176.2-72.4-89.7000111.2Y73 R104 T108Y73-Y106 HydrophobicContact CD1-CE1 4.22Å; R104-Y106 HydrophobicContact CB-CD2 4.34Å; R104-Y106 HydrophobicContact CB-CE2 3.87Å; R104-Y106 PolarHBondContact O-N 2.89Å; Y106-T108 PolarHBondContact O-N 3.42Å
107I78.5Confident80.1Confident9 Ų963.1 Ų63.15%0.04631%0.313CS..EExtended strand (participates in β ladder)trans-98.396.8-178.4-48.4151.8000106.6A72 V74 Y109 Y110 P235 A238 L260A72-I107 PolarHBondContact O-N 3.01Å; V74-I107 HydrophobicContact CG2-CD1 3.73Å; I107-Y109 HydrophobicContact CG2-CD1 4.07Å; I107-Y109 HydrophobicContact CG2-CE1 3.48Å; I107-Y109 VanDerWaalsContact CG2-CE1 3.48Å; I107-Y110 HydrophobicContact CB-CD1 4.46Å; I107-Y110 HydrophobicContact CB-CE1 3.96Å; I107-Y110 HydrophobicContact CG2-CD1 3.54Å; I107-Y110 HydrophobicContact CG2-CE1 3.51Å; I107-Y110 WeakPolarHBondContact O-CE1 3.21Å; I107-Y110 PolarHBondContact O-OH 3.49Å; I107-P235 HydrophobicContact CD1-CB 4Å; I107-P235 HydrophobicContact CD1-CG 3.24Å; I107-P235 HydrophobicContact CG1-CG 3.73Å; I107-P235 HydrophobicContact CG2-CG 4.32Å; I107-A238 HydrophobicContact CD1-CB 3.63Å; I107-L260 HydrophobicContact CD1-CD2 4.46Å; I107-L260 HydrophobicContact CG2-CD2 4.46Å
108T79.1Confident81.9Confident58 Ų5856.7 Ų56.736%0.35629%0.288SS..  trans-122.2-10.7177.855.50000112.9Y106 Y110 Q111Y106-T108 PolarHBondContact O-N 3.42Å; T108-Y110 PolarHBondContact O-N 3.43Å; T108-Y110 VanDerWaalsContact O-N 3.14Å; T108-Q111 PolarHBondContact O-N 2.93Å
109Y82.9Confident83.5Confident33 Ų3357.2 Ų57.213%0.12929%0.286CS..G310 helixtrans-58.9-30.8-177.467.2-101.6000113I107 Q111 W112 V113 F204 V233 F234 N263I107-Y109 HydrophobicContact CG2-CD1 4.07Å; I107-Y109 HydrophobicContact CG2-CE1 3.48Å; I107-Y109 VanDerWaalsContact CG2-CE1 3.48Å; Y109-Q111 PolarHBondContact O-N 2.96Å; Y109-Q111 VanDerWaalsContact O-N 3.15Å; Y109-W112 WeakPolarHBondContact O-CA 3.26Å; Y109-W112 PolarHBondContact O-N 3.44Å; Y109-V113 HydrophobicContact CD2-CG2 3.83Å; Y109-V113 HydrophobicContact CE2-CG2 4.42Å; Y109-V113 WeakPolarHBondContact O-CG2 3.46Å; Y109-V113 PolarHBondContact O-N 3.42Å; Y109-V113 VanDerWaalsContact O-N 3.07Å; Y109-F204 HydrophobicContact CD2-CD1 4.23Å; Y109-F204 AromaticContact CD2-CE1 3.89Å; Y109-F204 HydrophobicContact CD2-CE1 3.89Å; Y109-F204 HydrophobicContact CE2-CD1 4.44Å; Y109-F204 HydrophobicContact CE2-CE1 4.14Å; Y109-V233 PolarHBondContact OH-O 2.99Å; Y109-F234 HydrophobicContact CE2-CD1 4.08Å; Y109-F234 AromaticContact CE2-CE1 3.89Å; Y109-F234 HydrophobicContact CE2-CE1 3.89Å; Y109-F234 AromaticContact CZ-CD1 3.93Å; Y109-F234 VanDerWaalsContact OH-CD1 3.27Å; Y109-F234 WeakPolarHBondContact OH-CD1 3.31Å; Y109-N263 PolarHBondContact OH-ND2 3.47Å; Y109-N263 PolarHBondContact OH-OD1 3.32Å
110Y82.5Confident84.9Confident2 Ų257.7 Ų57.71%0.00829%0.288CS..G310 helixtrans-62.3-24.2-176.953.7-111.9000113.1W68 I107 T108 W112 L260W68-Y110 HydrophobicContact CD2-CE2 4.12Å; W68-Y110 AromaticContact CE3-CD2 3.96Å; W68-Y110 HydrophobicContact CE3-CD2 3.96Å; W68-Y110 AromaticContact CE3-CE2 3.41Å; W68-Y110 HydrophobicContact CE3-CE2 3.41Å; W68-Y110 VanDerWaalsContact CE3-CE2 3.41Å; W68-Y110 AromaticContact CH2-CD2 3.22Å; W68-Y110 HydrophobicContact CH2-CD2 3.22Å; W68-Y110 AromaticContact CH2-CE2 3.57Å; W68-Y110 HydrophobicContact CH2-CE2 3.57Å; W68-Y110 HydrophobicContact CH2-CG 4.25Å; W68-Y110 HydrophobicContact CZ2-CD2 4.08Å; W68-Y110 HydrophobicContact CZ2-CE2 4.23Å; W68-Y110 AromaticContact CZ3-CD2 3.12Å; W68-Y110 HydrophobicContact CZ3-CD2 3.12Å; W68-Y110 AromaticContact CZ3-CE2 3.09Å; W68-Y110 HydrophobicContact CZ3-CE2 3.09Å; W68-Y110 HydrophobicContact CZ3-CG 4.09Å; I107-Y110 HydrophobicContact CB-CD1 4.46Å; I107-Y110 HydrophobicContact CB-CE1 3.96Å; I107-Y110 HydrophobicContact CG2-CD1 3.54Å; I107-Y110 HydrophobicContact CG2-CE1 3.51Å; I107-Y110 WeakPolarHBondContact O-CE1 3.21Å; I107-Y110 PolarHBondContact O-OH 3.49Å; T108-Y110 PolarHBondContact O-N 3.43Å; T108-Y110 VanDerWaalsContact O-N 3.14Å; Y110-W112 PolarHBondContact O-N 3.03Å; Y110-L260 HydrophobicContact CD1-CD2 4.28Å; Y110-L260 HydrophobicContact CE1-CD2 3.92Å
111Q85.3Confident86Confident50 Ų5055.3 Ų55.323%0.23427%0.273CS..G310 helixtrans-66.5-31.1174.5-62.8176.2-2400111Q46 W68 I69 T108 Y109Q46-Q111 PolarHBondContact NE2-O 2.91Å; W68-Q111 HydrophobicContact CZ2-CG 4.39Å; W68-Q111 PolarHBondContact O-NE2 3.38Å; I69-Q111 PolarHBondContact O-NE2 3.11Å; I69-Q111 VanDerWaalsContact O-NE2 3.09Å; T108-Q111 PolarHBondContact O-N 2.93Å; Y109-Q111 PolarHBondContact O-N 2.96Å; Y109-Q111 VanDerWaalsContact O-N 3.15Å
112W89.7Confident86.9Confident143 Ų14356.9 Ų56.954%0.54227%0.27SS..THydrogen-bonded Turntrans-97.3-19.5-174-62.296.4000113.9Y109 Y110 V114 L115 V116 F203Y109-W112 WeakPolarHBondContact O-CA 3.26Å; Y109-W112 PolarHBondContact O-N 3.44Å; Y110-W112 PolarHBondContact O-N 3.03Å; W112-V114 VanDerWaalsContact C-N 3.29Å; W112-V114 PolarHBondContact O-N 3.42Å; W112-L115 HydrophobicContact CE3-CD1 3.7Å; W112-L115 HydrophobicContact CZ3-CD1 3.87Å; W112-L115 WeakPolarHBondContact O-CA 3.39Å; W112-L115 WeakPolarHBondContact O-CB 3.46Å; W112-L115 PolarHBondContact O-N 2.84Å; W112-V116 WeakPolarHBondContact O-CG2 3.46Å; W112-V116 PolarHBondContact O-N 3.48Å; W112-F203 HydrophobicContact CB-CE2 4.26Å; W112-F203 HydrophobicContact CB-CZ 4.07Å
113V90.9Very high87.9Confident1 Ų152 Ų521%0.00625%0.252CS..Hα-helixtrans-50.3-46.4-176164.50000112.7L42 Y109 L115 V116 L117 F203 F204 F270L42-V113 HydrophobicContact CD1-CG1 3.52Å; Y109-V113 HydrophobicContact CD2-CG2 3.83Å; Y109-V113 HydrophobicContact CE2-CG2 4.42Å; Y109-V113 WeakPolarHBondContact O-CG2 3.46Å; Y109-V113 PolarHBondContact O-N 3.42Å; Y109-V113 VanDerWaalsContact O-N 3.07Å; V113-L115 VanDerWaalsContact C-N 3.34Å; V113-L115 PolarHBondContact O-N 3.13Å; V113-V116 PolarHBondContact O-N 2.97Å; V113-L117 HydrophobicContact CG1-CD1 4.14Å; V113-L117 WeakPolarHBondContact O-CG 3.05Å; V113-L117 PolarHBondContact O-N 3.37Å; V113-F203 HydrophobicContact CG2-CE1 4.06Å; V113-F203 HydrophobicContact CG2-CZ 4.44Å; V113-F204 HydrophobicContact CG2-CE1 4.29Å; V113-F204 HydrophobicContact CG2-CZ 4.48Å; V113-F270 HydrophobicContact CG1-CE2 3.6Å; V113-F270 HydrophobicContact CG1-CZ 3.82Å; V113-F270 HydrophobicContact CG2-CE2 4.39Å
114V92.4Very high88.9Confident8 Ų849.5 Ų49.55%0.04824%0.238CC..Hα-helixtrans-63.1-41.8180171.40000111.5T39 L42 S43 W112 L118T39-V114 HydrophobicContact CG2-CG1 3.85Å; L42-V114 HydrophobicContact CB-CG2 3.7Å; S43-V114 WeakPolarHBondContact OG-CG1 3.31Å; W112-V114 VanDerWaalsContact C-N 3.29Å; W112-V114 PolarHBondContact O-N 3.42Å; V114-L118 WeakPolarHBondContact O-CB 3.21Å; V114-L118 PolarHBondContact O-N 2.77Å
115L92.9Very high89.8Confident87 Ų8751.6 Ų51.646%0.45525%0.246SC..Hα-helixtrans-67.3-39.7178.6-62.4177.3000111.3W112 V113 L118 L119W112-L115 HydrophobicContact CE3-CD1 3.7Å; W112-L115 HydrophobicContact CZ3-CD1 3.87Å; W112-L115 WeakPolarHBondContact O-CA 3.39Å; W112-L115 WeakPolarHBondContact O-CB 3.46Å; W112-L115 PolarHBondContact O-N 2.84Å; V113-L115 VanDerWaalsContact C-N 3.34Å; V113-L115 PolarHBondContact O-N 3.13Å; L115-L118 PolarHBondContact O-N 2.61Å; L115-L119 WeakPolarHBondContact O-CB 3.37Å; L115-L119 PolarHBondContact O-N 3.01Å
116V93.7Very high90.5Very high33 Ų3351.4 Ų51.420%0.224%0.243CC..Hα-helixtrans-62.4-51.6176172.70000110.7W112 V113 L118 L119 E120 L200 F203W112-V116 WeakPolarHBondContact O-CG2 3.46Å; W112-V116 PolarHBondContact O-N 3.48Å; V113-V116 PolarHBondContact O-N 2.97Å; V116-L118 VanDerWaalsContact C-N 3.26Å; V116-L118 PolarHBondContact O-N 3.28Å; V116-L119 PolarHBondContact O-N 3.11Å; V116-L119 VanDerWaalsContact O-N 3.14Å; V116-E120 HydrophobicContact CG1-CG 4.41Å; V116-E120 WeakPolarHBondContact O-CG 3.1Å; V116-E120 PolarHBondContact O-N 3.48Å; V116-L200 HydrophobicContact CG1-CD2 4.13Å; V116-F203 HydrophobicContact CG2-CD2 4.46Å; V116-F203 HydrophobicContact CG2-CE2 3.92Å; V116-F203 HydrophobicContact CG2-CZ 3.97Å
117L94.3Very high91.1Very high0 Ų045.7 Ų45.70%022%0.221CC..Hα-helixtrans-60.8-36.4178.4-69.1173000112.5L35 C38 T39 L42 V113 S121 F270 L273L35-L117 HydrophobicContact CD2-CD2 3.78Å; C38-L117 HydrophobicContact CB-CD1 4.16Å; T39-L117 WeakPolarHBondContact OG1-CB 3Å; L42-L117 HydrophobicContact CD1-CD1 3.59Å; V113-L117 HydrophobicContact CG1-CD1 4.14Å; V113-L117 WeakPolarHBondContact O-CG 3.05Å; V113-L117 PolarHBondContact O-N 3.37Å; L117-S121 PolarHBondContact O-N 3.36Å; L117-F270 HydrophobicContact CD1-CZ 4.21Å; L117-F270 HydrophobicContact CD2-CE1 3.94Å; L117-F270 HydrophobicContact CD2-CZ 3.87Å; L117-F270 HydrophobicContact CG-CZ 4.11Å; L117-L273 HydrophobicContact CD2-CD1 3.73Å
118L94.6Very high91.8Very high60 Ų6045.4 Ų45.431%0.31422%0.22SC..Hα-helixtrans-66.1-46.7175.3-17761.8000111.2L36 T39 V114 L115 V116 E120 S121 F122L36-L118 HydrophobicContact CD2-CD1 3.96Å; T39-L118 HydrophobicContact CG2-CB 4.02Å; T39-L118 HydrophobicContact CG2-CD1 4.42Å; V114-L118 WeakPolarHBondContact O-CB 3.21Å; V114-L118 PolarHBondContact O-N 2.77Å; L115-L118 PolarHBondContact O-N 2.61Å; V116-L118 VanDerWaalsContact C-N 3.26Å; V116-L118 PolarHBondContact O-N 3.28Å; L118-E120 VanDerWaalsContact C-N 3.34Å; L118-E120 PolarHBondContact O-N 3.2Å; L118-S121 WeakPolarHBondContact O-CB 3.46Å; L118-S121 PolarHBondContact O-N 3.3Å; L118-S121 PolarHBondContact O-OG 2.95Å; L118-F122 HydrophobicContact CD1-CE2 3.83Å; L118-F122 HydrophobicContact CD1-CZ 4.31Å; L118-F122 HydrophobicContact CD2-CE2 4.41Å; L118-F122 HydrophobicContact CG-CD2 4.36Å; L118-F122 HydrophobicContact CG-CE2 3.78Å; L118-F122 WeakPolarHBondContact O-CD2 3.37Å; L118-F122 PolarHBondContact O-N 2.77Å
119L95.4Very high92.4Very high111 Ų11147.6 Ų47.658%0.58123%0.225SC*.Hα-helixtrans-59.9-44.9176178.861.4000111.3L115 V116 S121 F122 V123L115-L119 WeakPolarHBondContact O-CB 3.37Å; L115-L119 PolarHBondContact O-N 3.01Å; V116-L119 PolarHBondContact O-N 3.11Å; V116-L119 VanDerWaalsContact O-N 3.14Å; L119-S121 VanDerWaalsContact C-N 3.28Å; L119-S121 PolarHBondContact O-N 3.28Å; L119-F122 WeakPolarHBondContact O-CB 3.45Å; L119-F122 PolarHBondContact O-N 3.17Å; L119-F122 VanDerWaalsContact O-N 3.1Å; L119-V123 HydrophobicContact CD1-CG2 4.36Å; L119-V123 HydrophobicContact CG-CG2 4.43Å; L119-V123 WeakPolarHBondContact O-CG2 3.4Å; L119-V123 PolarHBondContact O-N 2.84Å
120E95.4Very high93Very high15 Ų1547.6 Ų47.67%0.0723%0.227CC..Hα-helixtrans-55.6-44.6174.7-73.5176.9179.300111.1L35 V116 L118 F122 V123 F124 N196 L200L35-E120 HydrophobicContact CD1-CB 3.86Å; L35-E120 HydrophobicContact CD2-CB 4.47Å; V116-E120 HydrophobicContact CG1-CG 4.41Å; V116-E120 WeakPolarHBondContact O-CG 3.1Å; V116-E120 PolarHBondContact O-N 3.48Å; L118-E120 VanDerWaalsContact C-N 3.34Å; L118-E120 PolarHBondContact O-N 3.2Å; E120-F122 PolarHBondContact O-N 3.39Å; E120-V123 PolarHBondContact O-N 3.41Å; E120-V123 VanDerWaalsContact O-N 3.09Å; E120-F124 HydrophobicContact CB-CD2 4.39Å; E120-F124 VanDerWaalsContact O-CD2 3.31Å; E120-F124 WeakPolarHBondContact O-CD2 3.44Å; E120-F124 PolarHBondContact O-N 2.95Å; E120-N196 WeakPolarHBondContact CG-OD1 3.44Å; E120-N196 PolarHBondContact OE1-OD1 3.26Å; E120-L200 WeakPolarHBondContact OE1-CD1 3.49Å; E120-L200 WeakPolarHBondContact OE1-CD2 3.47Å; E120-L200 VanDerWaalsContact OE1-CG 3.3Å; E120-L200 WeakPolarHBondContact OE1-CG 3.3Å
121S95.8Very high93.5Very high3 Ų347.5 Ų47.52%0.02123%0.227CC..Hα-helixtrans-57.8-36.717983.10000112.6V32 L36 L117 L118 L119 Y125V32-S121 WeakPolarHBondContact CG2-O 3.49Å; L36-S121 WeakPolarHBondContact CD2-OG 3.38Å; L117-S121 PolarHBondContact O-N 3.36Å; L118-S121 WeakPolarHBondContact O-CB 3.46Å; L118-S121 PolarHBondContact O-N 3.3Å; L118-S121 PolarHBondContact O-OG 2.95Å; L119-S121 VanDerWaalsContact C-N 3.28Å; L119-S121 PolarHBondContact O-N 3.28Å; S121-Y125 WeakPolarHBondContact O-CB 3.45Å; S121-Y125 PolarHBondContact O-N 3.31Å
122F95.2Very high93.8Very high129 Ų12950.6 Ų50.657%0.56624%0.239SC*.Hα-helixtrans-72-43.6175.1-69.1-63.4000112L118 L119 E120 Y125 M126L118-F122 HydrophobicContact CD1-CE2 3.83Å; L118-F122 HydrophobicContact CD1-CZ 4.31Å; L118-F122 HydrophobicContact CD2-CE2 4.41Å; L118-F122 HydrophobicContact CG-CD2 4.36Å; L118-F122 HydrophobicContact CG-CE2 3.78Å; L118-F122 WeakPolarHBondContact O-CD2 3.37Å; L118-F122 PolarHBondContact O-N 2.77Å; L119-F122 WeakPolarHBondContact O-CB 3.45Å; L119-F122 PolarHBondContact O-N 3.17Å; L119-F122 VanDerWaalsContact O-N 3.1Å; E120-F122 PolarHBondContact O-N 3.39Å; F122-Y125 PolarHBondContact O-N 2.81Å; F122-M126 PolarHBondContact O-N 3.13Å
123V96.4Very high93.9Very high57 Ų5748.4 Ų48.435%0.34524%0.237SC..Hα-helixtrans-62.8-46.2179.2175.60000110.7L119 E120 Y125 M126 P127 I192L119-V123 HydrophobicContact CD1-CG2 4.36Å; L119-V123 HydrophobicContact CG-CG2 4.43Å; L119-V123 WeakPolarHBondContact O-CG2 3.4Å; L119-V123 PolarHBondContact O-N 2.84Å; E120-V123 PolarHBondContact O-N 3.41Å; E120-V123 VanDerWaalsContact O-N 3.09Å; V123-Y125 PolarHBondContact O-N 3.08Å; V123-M126 VanDerWaalsContact O-CB 3.28Å; V123-M126 WeakPolarHBondContact O-CB 3.34Å; V123-M126 PolarHBondContact O-N 2.85Å; V123-M126 VanDerWaalsContact O-N 3.13Å; V123-P127 WeakPolarHBondContact O-CD 3.23Å; V123-I192 HydrophobicContact CG1-CB 4.47Å; V123-I192 HydrophobicContact CG1-CD1 4.05Å; V123-I192 HydrophobicContact CG1-CG1 3.86Å; V123-I192 HydrophobicContact CG1-CG2 3.83Å; V123-I192 WeakPolarHBondContact O-CD1 3.35Å
124F95.9Very high93.9Very high2 Ų253.3 Ų53.31%0.00926%0.256CS..Hα-helixtrans-63.7-26.4175.7-85.7-91.6000113.3H27 T31 V32 L35 E120 I192 N196 F277H27-F124 AromaticContact CD2-CD1 3.57Å; H27-F124 AromaticContact CD2-CE1 3.55Å; H27-F124 AromaticContact CE1-CD1 3.51Å; H27-F124 AromaticContact NE2-CD1 3.19Å; H27-F124 WeakPolarHBondContact NE2-CD1 3.4Å; H27-F124 AromaticContact NE2-CE1 3.24Å; H27-F124 WeakPolarHBondContact NE2-CE1 3.34Å; T31-F124 HydrophobicContact CG2-CD1 3.91Å; T31-F124 HydrophobicContact CG2-CE1 4.01Å; T31-F124 HydrophobicContact CG2-CG 4.25Å; T31-F124 HydrophobicContact CG2-CZ 4.41Å; V32-F124 HydrophobicContact CG2-CB 3.77Å; L35-F124 HydrophobicContact CD1-CD2 3.89Å; L35-F124 HydrophobicContact CD1-CE2 4.39Å; L35-F124 HydrophobicContact CD1-CG 4.39Å; E120-F124 HydrophobicContact CB-CD2 4.39Å; E120-F124 VanDerWaalsContact O-CD2 3.31Å; E120-F124 WeakPolarHBondContact O-CD2 3.44Å; E120-F124 PolarHBondContact O-N 2.95Å; F124-I192 HydrophobicContact CD1-CG2 4.19Å; F124-I192 HydrophobicContact CD2-CG2 4.16Å; F124-I192 HydrophobicContact CE1-CG2 4.17Å; F124-I192 HydrophobicContact CE2-CG2 4.16Å; F124-I192 HydrophobicContact CG-CG2 4.18Å; F124-I192 HydrophobicContact CZ-CG2 4.15Å; F124-N196 HydrophobicContact CE2-CB 3.95Å; F124-N196 WeakPolarHBondContact CE2-OD1 3.43Å; F124-N196 HydrophobicContact CZ-CB 3.95Å; F124-F277 HydrophobicContact CE2-CE1 4.08Å; F124-F277 HydrophobicContact CZ-CD1 4.11Å; F124-F277 AromaticContact CZ-CE1 3.85Å; F124-F277 HydrophobicContact CZ-CE1 3.85Å
125Y94.8Very high93.8Very high69 Ų6953.3 Ų53.327%0.27126%0.255SS..Hα-helixtrans-78.9-26.7175.1-175.4-113000113.4Y11 S121 F122 V123 A128 F129Y11-Y125 HydrophobicContact CE2-CE2 4.28Å; Y11-Y125 VanDerWaalsContact OH-CD2 3.31Å; Y11-Y125 WeakPolarHBondContact OH-CD2 3.39Å; Y11-Y125 WeakPolarHBondContact OH-CE2 3.41Å; S121-Y125 WeakPolarHBondContact O-CB 3.45Å; S121-Y125 PolarHBondContact O-N 3.31Å; F122-Y125 PolarHBondContact O-N 2.81Å; V123-Y125 PolarHBondContact O-N 3.08Å; Y125-A128 HydrophobicContact CD2-CB 4.41Å; Y125-A128 HydrophobicContact CE2-CB 4.37Å; Y125-A128 PolarHBondContact O-N 3.16Å; Y125-F129 HydrophobicContact CD1-CB 4.07Å; Y125-F129 HydrophobicContact CE1-CB 3.77Å; Y125-F129 HydrophobicContact CE1-CD2 4.14Å; Y125-F129 HydrophobicContact CE1-CG 4.34Å; Y125-F129 PolarHBondContact O-N 3.42Å
126M94.2Very high93.5Very high89 Ų8952 Ų5244%0.43826%0.262SS..Hα-helixtrans-51-45.9-173.7-179.2-171.1-179.900114F122 V123 A128 F129 L130 L188F122-M126 PolarHBondContact O-N 3.13Å; V123-M126 VanDerWaalsContact O-CB 3.28Å; V123-M126 WeakPolarHBondContact O-CB 3.34Å; V123-M126 PolarHBondContact O-N 2.85Å; V123-M126 VanDerWaalsContact O-N 3.13Å; M126-A128 VanDerWaalsContact C-N 3.32Å; M126-A128 PolarHBondContact O-N 3.19Å; M126-F129 WeakPolarHBondContact O-CB 3.35Å; M126-F129 PolarHBondContact O-N 3Å; M126-L130 HydrophobicContact CE-CD1 4.04Å; M126-L130 HydrophobicContact CG-CD1 4.21Å; M126-L130 HydrophobicContact CG-CG 4.47Å; M126-L130 WeakPolarHBondContact O-CG 3.46Å; M126-L130 PolarHBondContact O-N 3.22Å; M126-L188 HydrophobicContact CE-CD2 4.46Å; M126-L188 HydrophobicContact CG-CD2 4.46Å; M126-L188 HydrophobicContact SD-CD2 4.36Å
127P94Very high93.1Very high0 Ų051.3 Ų51.30%026%0.262CS..Hα-helixtrans-64.3-35.5-179.7-23.236000113.1F24 V123 W131 C185 L188 N189 I192F24-P127 HydrophobicContact CZ-CB 4.07Å; V123-P127 WeakPolarHBondContact O-CD 3.23Å; P127-W131 WeakPolarHBondContact O-CB 3.28Å; P127-W131 PolarHBondContact O-N 3.12Å; P127-C185 PolarHBondContact O-SG 3.44Å; P127-C185 VanDerWaalsContact O-SG 3.42Å; P127-L188 HydrophobicContact CB-CD2 4.24Å; P127-L188 HydrophobicContact CG-CB 4.36Å; P127-L188 HydrophobicContact CG-CD2 3.88Å; P127-L188 HydrophobicContact CG-CG 3.96Å; P127-N189 WeakPolarHBondContact CB-OD1 3.43Å; P127-N189 WeakPolarHBondContact CG-OD1 3.25Å; P127-I192 HydrophobicContact CG-CD1 3.46Å; P127-I192 VanDerWaalsContact CG-CD1 3.46Å
128A92.3Very high92.7Very high3 Ų354.6 Ų54.63%0.02528%0.275CS..Hα-helixtrans-70.8-38.517600000112Y20 F24 Y125 M126 W131 K132Y20-A128 HydrophobicContact CE1-CB 4.04Å; Y20-A128 PolarHBondContact OH-O 3.33Å; F24-A128 HydrophobicContact CE1-CB 3.95Å; Y125-A128 HydrophobicContact CD2-CB 4.41Å; Y125-A128 HydrophobicContact CE2-CB 4.37Å; Y125-A128 PolarHBondContact O-N 3.16Å; M126-A128 VanDerWaalsContact C-N 3.32Å; M126-A128 PolarHBondContact O-N 3.19Å; A128-W131 PolarHBondContact O-N 2.85Å; A128-K132 VanDerWaalsContact O-CB 3.31Å; A128-K132 WeakPolarHBondContact O-CB 3.08Å; A128-K132 PolarHBondContact O-N 3.14Å
129F92.4Very high92.3Very high104 Ų10451.8 Ų51.846%0.45626%0.26SS..Hα-helixtrans-60.2-50.2174.4177.4-105.1000111.4Y125 M126 W131 K132 I133Y125-F129 HydrophobicContact CD1-CB 4.07Å; Y125-F129 HydrophobicContact CE1-CB 3.77Å; Y125-F129 HydrophobicContact CE1-CD2 4.14Å; Y125-F129 HydrophobicContact CE1-CG 4.34Å; Y125-F129 PolarHBondContact O-N 3.42Å; M126-F129 WeakPolarHBondContact O-CB 3.35Å; M126-F129 PolarHBondContact O-N 3Å; F129-W131 PolarHBondContact O-N 3.16Å; F129-K132 PolarHBondContact O-N 3.39Å; F129-I133 HydrophobicContact CD1-CD1 3.99Å; F129-I133 HydrophobicContact CE1-CD1 3.47Å; F129-I133 VanDerWaalsContact CE1-CD1 3.47Å; F129-I133 HydrophobicContact CE2-CD1 4.07Å; F129-I133 HydrophobicContact CZ-CD1 3.52Å; F129-I133 WeakPolarHBondContact O-CG1 3.43Å; F129-I133 PolarHBondContact O-N 2.87Å
130L93.9Very high91.8Very high34 Ų3451.8 Ų51.818%0.17826%0.255CS..Hα-helixtrans-60.1-46.6176.5-69.1176.3000111.8M126 K132 I133 W134 F184 L188M126-L130 HydrophobicContact CE-CD1 4.04Å; M126-L130 HydrophobicContact CG-CD1 4.21Å; M126-L130 HydrophobicContact CG-CG 4.47Å; M126-L130 WeakPolarHBondContact O-CG 3.46Å; M126-L130 PolarHBondContact O-N 3.22Å; L130-K132 VanDerWaalsContact C-N 3.31Å; L130-K132 PolarHBondContact O-N 3.3Å; L130-I133 PolarHBondContact O-N 2.98Å; L130-I133 VanDerWaalsContact O-N 3.17Å; L130-W134 HydrophobicContact CB-CE3 4.45Å; L130-W134 HydrophobicContact CB-CH2 4.42Å; L130-W134 HydrophobicContact CB-CZ3 4.34Å; L130-W134 HydrophobicContact CD1-CH2 4.5Å; L130-W134 PolarHBondContact O-N 3Å; L130-F184 HydrophobicContact CD1-CE1 4.28Å; L130-L188 HydrophobicContact CD1-CD2 3.82Å
131W94.2Very high91.2Very high0 Ų058.5 Ų58.50%029%0.286CS..Hα-helixtrans-60.4-41.3178.8179.6-121.2000112.4I19 Y20 F24 P127 A128 F129 I133 W134 E135 Y178 Y182I19-W131 HydrophobicContact CG2-CZ2 4.48Å; I19-W131 PolarHBondContact O-NE1 2.96Å; Y20-W131 AromaticContact CD1-CD1 3.81Å; Y20-W131 HydrophobicContact CE1-CB 4.48Å; Y20-W131 AromaticContact CE1-CD1 3.46Å; Y20-W131 VanDerWaalsContact CE1-CD1 3.46Å; Y20-W131 HydrophobicContact CE1-CG 4.34Å; F24-W131 HydrophobicContact CZ-CB 4.45Å; P127-W131 WeakPolarHBondContact O-CB 3.28Å; P127-W131 PolarHBondContact O-N 3.12Å; A128-W131 PolarHBondContact O-N 2.85Å; F129-W131 PolarHBondContact O-N 3.16Å; W131-I133 VanDerWaalsContact C-N 3.29Å; W131-I133 PolarHBondContact O-N 3.42Å; W131-W134 PolarHBondContact O-N 3.09Å; W131-E135 HydrophobicContact CD2-CB 4.43Å; W131-E135 HydrophobicContact CZ2-CB 4.19Å; W131-E135 HydrophobicContact CZ2-CG 4.33Å; W131-E135 VanDerWaalsContact O-CB 3.26Å; W131-E135 WeakPolarHBondContact O-CB 3.48Å; W131-E135 PolarHBondContact O-N 3.23Å; W131-Y178 HydrophobicContact CH2-CD1 4.1Å; W131-Y178 AromaticContact CH2-CD2 3.91Å; W131-Y178 HydrophobicContact CH2-CD2 3.91Å; W131-Y178 AromaticContact CH2-CE1 3.68Å; W131-Y178 HydrophobicContact CH2-CE1 3.68Å; W131-Y178 AromaticContact CH2-CE2 3.46Å; W131-Y178 HydrophobicContact CH2-CE2 3.46Å; W131-Y178 VanDerWaalsContact CH2-CE2 3.46Å; W131-Y178 HydrophobicContact CH2-CG 4.21Å; W131-Y178 AromaticContact CH2-CZ 3.34Å; W131-Y178 HydrophobicContact CZ2-CE1 4.07Å; W131-Y178 AromaticContact CZ2-CE2 3.84Å; W131-Y178 HydrophobicContact CZ2-CE2 3.84Å; W131-Y178 AromaticContact CZ2-CZ 3.48Å; W131-Y178 VanDerWaalsContact CZ2-CZ 3.48Å; W131-Y178 VanDerWaalsContact CZ2-OH 3.29Å; W131-Y178 WeakPolarHBondContact CZ2-OH 3.34Å; W131-Y178 HydrophobicContact CZ3-CE2 4.42Å; W131-Y182 AromaticContact CD2-CD2 3.7Å; W131-Y182 HydrophobicContact CD2-CD2 3.7Å; W131-Y182 HydrophobicContact CD2-CE2 4.3Å; W131-Y182 AromaticContact CE2-CD2 3.45Å; W131-Y182 VanDerWaalsContact CE2-CD2 3.45Å; W131-Y182 AromaticContact CE2-CE2 3.9Å; W131-Y182 AromaticContact CE3-CD2 3.83Å; W131-Y182 HydrophobicContact CE3-CD2 3.83Å; W131-Y182 HydrophobicContact CG-CD2 4.48Å; W131-Y182 AromaticContact CH2-CD2 3.55Å; W131-Y182 HydrophobicContact CH2-CD2 3.55Å; W131-Y182 HydrophobicContact CH2-CG 4.03Å; W131-Y182 AromaticContact CZ2-CD2 3.37Å; W131-Y182 HydrophobicContact CZ2-CD2 3.37Å; W131-Y182 HydrophobicContact CZ2-CE2 4.07Å; W131-Y182 HydrophobicContact CZ2-CG 4.26Å; W131-Y182 AromaticContact CZ3-CD2 3.77Å; W131-Y182 HydrophobicContact CZ3-CD2 3.77Å; W131-Y182 HydrophobicContact CZ3-CG 4.17Å
132K91.1Very high90.5Very high114 Ų11459.7 Ų59.750%0.49629%0.292SS..Hα-helixtrans-62.7-36.5178.4-172.7-175.5173.8-163.60112.3A128 F129 L130A128-K132 VanDerWaalsContact O-CB 3.31Å; A128-K132 WeakPolarHBondContact O-CB 3.08Å; A128-K132 PolarHBondContact O-N 3.14Å; F129-K132 PolarHBondContact O-N 3.39Å; L130-K132 VanDerWaalsContact C-N 3.31Å; L130-K132 PolarHBondContact O-N 3.3Å
133I91.2Very high89.7Confident98 Ų9853.5 Ų53.550%0.50327%0.265SS..Hα-helixtrans-68.7-46.7175.9-67.2169.2000110.2F129 L130 W131 G136F129-I133 HydrophobicContact CD1-CD1 3.99Å; F129-I133 HydrophobicContact CE1-CD1 3.47Å; F129-I133 VanDerWaalsContact CE1-CD1 3.47Å; F129-I133 HydrophobicContact CE2-CD1 4.07Å; F129-I133 HydrophobicContact CZ-CD1 3.52Å; F129-I133 WeakPolarHBondContact O-CG1 3.43Å; F129-I133 PolarHBondContact O-N 2.87Å; L130-I133 PolarHBondContact O-N 2.98Å; L130-I133 VanDerWaalsContact O-N 3.17Å; W131-I133 VanDerWaalsContact C-N 3.29Å; W131-I133 PolarHBondContact O-N 3.42Å; I133-G136 PolarHBondContact O-N 3.07Å
134W92Very high88.2Confident104 Ų10452.2 Ų52.239%0.39426%0.256SS..Hα-helixtrans-73.3-31-177.1-64-24.9000114.2L130 W131 G136 S181 F184L130-W134 HydrophobicContact CB-CE3 4.45Å; L130-W134 HydrophobicContact CB-CH2 4.42Å; L130-W134 HydrophobicContact CB-CZ3 4.34Å; L130-W134 HydrophobicContact CD1-CH2 4.5Å; L130-W134 PolarHBondContact O-N 3Å; W131-W134 PolarHBondContact O-N 3.09Å; W134-G136 VanDerWaalsContact C-N 3.33Å; W134-S181 WeakPolarHBondContact CZ3-O 3.33Å; W134-F184 AromaticContact CH2-CD1 3.35Å; W134-F184 HydrophobicContact CH2-CD1 3.35Å; W134-F184 AromaticContact CH2-CE1 3.65Å; W134-F184 HydrophobicContact CH2-CE1 3.65Å; W134-F184 HydrophobicContact CH2-CG 4.12Å; W134-F184 HydrophobicContact CZ3-CB 4.28Å; W134-F184 AromaticContact CZ3-CD1 3.52Å; W134-F184 HydrophobicContact CZ3-CD1 3.52Å; W134-F184 HydrophobicContact CZ3-CE1 4.23Å; W134-F184 HydrophobicContact CZ3-CG 4.21Å
135E90.7Very high86.6Confident8 Ų854.9 Ų54.94%0.03727%0.271CS..Hα-helixtrans-69.2-32.6176.5-177.3-93.6168.100112.3I19 W131 G137 R138 L139 Y178I19-E135 HydrophobicContact CG2-CB 4.22Å; I19-E135 HydrophobicContact CG2-CG 3.52Å; W131-E135 HydrophobicContact CD2-CB 4.43Å; W131-E135 HydrophobicContact CZ2-CB 4.19Å; W131-E135 HydrophobicContact CZ2-CG 4.33Å; W131-E135 VanDerWaalsContact O-CB 3.26Å; W131-E135 WeakPolarHBondContact O-CB 3.48Å; W131-E135 PolarHBondContact O-N 3.23Å; E135-G137 VanDerWaalsContact CD-N 3.32Å; E135-G137 PolarHBondContact O-N 3.26Å; E135-G137 VanDerWaalsContact O-N 3.07Å; E135-G137 VanDerWaalsContact OE1-C 3.23Å; E135-G137 WeakPolarHBondContact OE1-CA 3.46Å; E135-G137 WeakPolarHBondContact OE2-CA 3.43Å; E135-G137 PolarHBondContact OE2-N 3.45Å; E135-R138 WeakPolarHBondContact O-CB 3.49Å; E135-R138 PolarHBondContact O-N 3.12Å; E135-R138 VanDerWaalsContact O-N 3.11Å; E135-R138 PolarHBondContact OE1-N 3.37Å; E135-R138 VanDerWaalsContact OE1-N 3.08Å; E135-L139 WeakPolarHBondContact OE1-CB 3.47Å; E135-L139 PolarHBondContact OE1-N 2.82Å; E135-Y178 HydrophobicContact CB-CE2 4.3Å; E135-Y178 HydrophobicContact CG-CE2 3.89Å
136G85.7Confident85Confident59 Ų5952.3 Ų52.361%0.60826%0.261SS*.THydrogen-bonded Turntrans59.722.3170.200000115.1I133 W134 R138I133-G136 PolarHBondContact O-N 3.07Å; W134-G136 VanDerWaalsContact C-N 3.33Å; G136-R138 VanDerWaalsContact C-N 3.28Å; G136-R138 PolarHBondContact O-N 2.85Å
137G85.3Confident83.3Confident19 Ų1953.1 Ų53.120%0.19626%0.264CS..THydrogen-bonded Turntrans75.68-17800000115.1E135 L139 K140 H141E135-G137 VanDerWaalsContact CD-N 3.32Å; E135-G137 PolarHBondContact O-N 3.26Å; E135-G137 VanDerWaalsContact O-N 3.07Å; E135-G137 VanDerWaalsContact OE1-C 3.23Å; E135-G137 WeakPolarHBondContact OE1-CA 3.46Å; E135-G137 WeakPolarHBondContact OE2-CA 3.43Å; E135-G137 PolarHBondContact OE2-N 3.45Å; G137-L139 PolarHBondContact O-N 2.69Å; G137-K140 WeakPolarHBondContact O-CB 3.17Å; G137-K140 PolarHBondContact O-N 3.33Å; G137-H141 PolarHBondContact O-CD2 2.92Å; G137-H141 PolarHBondContact O-N 3.42Å
138R85.7Confident81.5Confident68 Ų6860.6 Ų60.626%0.25730%0.296SS..Hα-helixtrans-57.1-48.8-176.3-178.8-177.3-63.1-175.96.1113E135 G136 K140 H141 L142E135-R138 WeakPolarHBondContact O-CB 3.49Å; E135-R138 PolarHBondContact O-N 3.12Å; E135-R138 VanDerWaalsContact O-N 3.11Å; E135-R138 PolarHBondContact OE1-N 3.37Å; E135-R138 VanDerWaalsContact OE1-N 3.08Å; G136-R138 VanDerWaalsContact C-N 3.28Å; G136-R138 PolarHBondContact O-N 2.85Å; R138-K140 PolarHBondContact O-N 3.1Å; R138-H141 PolarHBondContact O-N 3.15Å; R138-L142 HydrophobicContact CG-CD1 3.83Å; R138-L142 WeakPolarHBondContact O-CG 3.48Å; R138-L142 PolarHBondContact O-N 3.41Å
139L86.1Confident79.6Confident2 Ų262.7 Ų62.71%0.0131%0.306CS..Hα-helixtrans-67.8-31.7-177.6-172.362.9000110.5V17 I19 E135 G137 L142 C143 R334 V335V17-L139 HydrophobicContact CG1-CB 4.42Å; V17-L139 HydrophobicContact CG1-CD2 4.17Å; V17-L139 HydrophobicContact CG1-CG 3.85Å; I19-L139 HydrophobicContact CG2-CD2 4.44Å; E135-L139 WeakPolarHBondContact OE1-CB 3.47Å; E135-L139 PolarHBondContact OE1-N 2.82Å; G137-L139 PolarHBondContact O-N 2.69Å; L139-L142 PolarHBondContact O-N 3.22Å; L139-C143 VanDerWaalsContact O-CB 3.31Å; L139-C143 WeakPolarHBondContact O-CB 3.34Å; L139-C143 PolarHBondContact O-N 3.45Å; L139-R334 HydrophobicContact CD1-CB 4.24Å; L139-R334 HydrophobicContact CD2-CB 4.43Å; L139-V335 HydrophobicContact CD1-CG2 3.84Å
140K84.6Confident77.8Confident110 Ų11062.3 Ų62.348%0.47832%0.322SS..Hα-helixtrans-62.9-49.9171.3-168.8-177.1176-167.30111G137 R138 L142 C143 D144G137-K140 WeakPolarHBondContact O-CB 3.17Å; G137-K140 PolarHBondContact O-N 3.33Å; R138-K140 PolarHBondContact O-N 3.1Å; K140-L142 PolarHBondContact O-N 2.93Å; K140-C143 PolarHBondContact O-N 3.12Å; K140-D144 WeakPolarHBondContact CE-OD2 3.45Å; K140-D144 HydrophobicContact CG-CB 3.83Å; K140-D144 IonicContact NZ-OD2 2.63Å; K140-D144 WeakPolarHBondContact O-CB 3.42Å; K140-D144 PolarHBondContact O-N 3.48Å
141H83.5Confident75.9Confident157 Ų15767.5 Ų67.573%0.72736%0.355SS*.Hα-helixtrans-59.6-32.4176.7-76.7-70.9000113.5G137 R138G137-H141 PolarHBondContact O-CD2 2.92Å; G137-H141 PolarHBondContact O-N 3.42Å; R138-H141 PolarHBondContact O-N 3.15Å
142L81.7Confident74.2Confident27 Ų2770.6 Ų70.614%0.14138%0.376CS..Hα-helixtrans-77.8-29.8178-68.7161.1000113.5R138 L139 K140 F146 L163 Y166 V335R138-L142 HydrophobicContact CG-CD1 3.83Å; R138-L142 WeakPolarHBondContact O-CG 3.48Å; R138-L142 PolarHBondContact O-N 3.41Å; L139-L142 PolarHBondContact O-N 3.22Å; K140-L142 PolarHBondContact O-N 2.93Å; L142-F146 WeakPolarHBondContact O-CE2 3.43Å; L142-L163 HydrophobicContact CD2-CD1 3.71Å; L142-Y166 HydrophobicContact CD1-CE1 4.22Å; L142-Y166 HydrophobicContact CD2-CD1 4.01Å; L142-Y166 HydrophobicContact CD2-CE1 4.11Å; L142-Y166 HydrophobicContact CD2-CG 4.29Å; L142-V335 HydrophobicContact CD1-CG2 4.35Å
143C77.3Confident72.9Confident0 Ų074.1 Ų74.10%039%0.391CS..Hα-helixtrans-120.1-21-167.4-62.40000116.4V17 L139 K140 D145 F146 N338V17-C143 HydrophobicContact CG1-CB 4.25Å; V17-C143 HydrophobicContact CG2-CB 4.06Å; L139-C143 VanDerWaalsContact O-CB 3.31Å; L139-C143 WeakPolarHBondContact O-CB 3.34Å; L139-C143 PolarHBondContact O-N 3.45Å; K140-C143 PolarHBondContact O-N 3.12Å; C143-D145 PolarHBondContact O-N 3.47Å; C143-D145 VanDerWaalsContact O-N 3.16Å; C143-F146 PolarHBondContact O-N 2.87Å; C143-N338 HydrophobicContact CB-CB 4.05Å
144D66.6Low71.6Confident30 Ų3075 Ų7516%0.1640%0.397CS..THydrogen-bonded Turntrans-65.6-22.4-168.6-157.233.2000113.1S16 V17 K140S16-D144 PolarHBondContact OG-OD1 2.95Å; V17-D144 HydrophobicContact CG2-CB 4.2Å; K140-D144 WeakPolarHBondContact CE-OD2 3.45Å; K140-D144 HydrophobicContact CG-CB 3.83Å; K140-D144 IonicContact NZ-OD2 2.63Å; K140-D144 WeakPolarHBondContact O-CB 3.42Å; K140-D144 PolarHBondContact O-N 3.48Å
145D62.3Low70.3Confident58 Ų5876.4 Ų76.431%0.3141%0.406SS..THydrogen-bonded Turntrans-80.7-29.2179.7-76.5-32000113.4C143 H147 K148 M149 H159C143-D145 PolarHBondContact O-N 3.47Å; C143-D145 VanDerWaalsContact O-N 3.16Å; D145-H147 PolarHBondContact O-N 3.2Å; D145-K148 PolarHBondContact O-N 2.97Å; D145-M149 HydrophobicContact CB-CE 3.46Å; D145-M149 VanDerWaalsContact CB-CE 3.46Å; D145-M149 HydrophobicContact CB-SD 3.9Å; D145-M149 WeakPolarHBondContact O-CB 3.34Å; D145-M149 WeakPolarHBondContact O-CG 3.43Å; D145-M149 PolarHBondContact O-N 3.12Å; D145-M149 VanDerWaalsContact O-N 3.12Å; D145-H159 IonicContact OD2-CE1 3.68Å; D145-H159 PolarHBondContact OD2-CE1 2.91Å; D145-H159 IonicContact OD2-NE2 3.46Å; D145-H159 PolarHBondContact OD2-NE2 2.8Å
146F61Low69.2Low14 Ų1477.2 Ų77.26%0.06141%0.412CS..THydrogen-bonded Turntrans-70.9-31.9-175.9-71.6-79.1000113.6L142 C143 K148 M149 H159 I339 L343L142-F146 WeakPolarHBondContact O-CE2 3.43Å; C143-F146 PolarHBondContact O-N 2.87Å; F146-K148 VanDerWaalsContact C-N 3.31Å; F146-K148 PolarHBondContact O-N 3.29Å; F146-M149 PolarHBondContact O-N 3.49Å; F146-H159 HydrophobicContact CE1-CB 3.97Å; F146-H159 HydrophobicContact CE2-CB 4.32Å; F146-H159 HydrophobicContact CZ-CB 3.65Å; F146-I339 HydrophobicContact CD2-CG2 4.27Å; F146-I339 HydrophobicContact CG-CG2 4.47Å; F146-L343 HydrophobicContact CD1-CD1 3.94Å
147H57.1Low68.6Low107 Ų10781.1 Ų81.150%0.49541%0.409SS..THydrogen-bonded Turntrans-69.7-27.5177.8-79100.2000113S16 D145 N338S16-H147 PolarHBondContact O-CE1 2.98Å; D145-H147 PolarHBondContact O-N 3.2Å; H147-N338 PolarHBondContact CE1-O 3.29Å
148K56.4Low68.1Low157 Ų15784.7 Ų84.768%0.68342%0.423SS*.THydrogen-bonded Turntrans-90.4-19.7177.1-67176.8-176.4168.20112.8D145 F146D145-K148 PolarHBondContact O-N 2.97Å; F146-K148 VanDerWaalsContact C-N 3.31Å; F146-K148 PolarHBondContact O-N 3.29Å
149M53.2Low67.6Low46 Ų4684 Ų8423%0.22742%0.423CS..  trans-102.57.4-169.4-68.4178.2-166.500115.2D145 F146 V151 C152D145-M149 HydrophobicContact CB-CE 3.46Å; D145-M149 VanDerWaalsContact CB-CE 3.46Å; D145-M149 HydrophobicContact CB-SD 3.9Å; D145-M149 WeakPolarHBondContact O-CB 3.34Å; D145-M149 WeakPolarHBondContact O-CG 3.43Å; D145-M149 PolarHBondContact O-N 3.12Å; D145-M149 VanDerWaalsContact O-N 3.12Å; F146-M149 PolarHBondContact O-N 3.49Å; M149-V151 PolarHBondContact O-N 3.17Å; M149-C152 PolarHBondContact O-N 3.45Å; M149-C152 VanDerWaalsContact O-N 3.16Å
150A53.7Low67.4Low97 Ų9784.2 Ų84.280%0.80242%0.424SS*.THydrogen-bonded Turntrans-56.9-8.6176.100000114.6
151V54.9Low67.3Low142 Ų14285.1 Ų85.186%0.86142%0.424SS*.THydrogen-bonded Turntrans-94.9-14.5-176.8-172.30000113.4M149M149-V151 PolarHBondContact O-N 3.17Å
152C58.7Low67.4Low66 Ų6682.1 Ų82.145%0.44642%0.417SS..  trans-134.1112.3-174.6-152.70000113.7M149 D154 S156M149-C152 PolarHBondContact O-N 3.45Å; M149-C152 VanDerWaalsContact O-N 3.16Å; C152-D154 PolarHBondContact O-N 2.83Å; C152-S156 PolarHBondContact O-N 3.34Å
153K63.8Low67.5Low187 Ų18781 Ų8181%0.81341%0.411SS*.Hα-helixtrans-65.2-36.3-173.4-72.7-178.7-180174.20114.3R157K153-R157 PolarHBondContact O-N 3.21Å
154D62.6Low67.9Low117 Ų11781.5 Ų81.563%0.62641%0.414SS*.Hα-helixtrans-73.2-40.1-176.5-78.1-32.6000113.3C152 S156 R157 N158C152-D154 PolarHBondContact O-N 2.83Å; D154-S156 VanDerWaalsContact C-N 3.31Å; D154-S156 PolarHBondContact O-N 2.96Å; D154-R157 PolarHBondContact O-N 3.35Å; D154-N158 PolarHBondContact O-N 3.42Å
155K65.1Low68.8Low134 Ų13485 Ų8558%0.58343%0.432SS*.Hα-helixtrans-66.7-34.1175.9-72.3-176.4178.1178.70112.2N158 H159K155-N158 PolarHBondContact O-N 3.2Å; K155-H159 PolarHBondContact O-N 3.28Å
156S67.6Low70Confident25 Ų2584.3 Ų84.318%0.17543%0.426CS..Hα-helixtrans-64-37.2175.5178.20000112.8C152 D154 L160C152-S156 PolarHBondContact O-N 3.34Å; D154-S156 VanDerWaalsContact C-N 3.31Å; D154-S156 PolarHBondContact O-N 2.96Å; S156-L160 WeakPolarHBondContact O-CB 3.42Å; S156-L160 PolarHBondContact O-N 3.36Å
157R73.2Confident71.1Confident141 Ų14185 Ų8553%0.53243%0.429SS..Hα-helixtrans-66.2-40.6175.7-73.5177.584.2-178.57112.4K153 D154 L160 R161K153-R157 PolarHBondContact O-N 3.21Å; D154-R157 PolarHBondContact O-N 3.35Å; R157-L160 PolarHBondContact O-N 2.69Å; R157-R161 WeakPolarHBondContact O-CG 3.35Å; R157-R161 PolarHBondContact O-N 2.97Å
158N76Confident72.3Confident94 Ų9482.5 Ų82.550%0.50342%0.423SS..Hα-helixtrans-64.2-43178.7-72.9-11.2000111.9D154 K155 R161 V162D154-N158 PolarHBondContact O-N 3.42Å; K155-N158 PolarHBondContact O-N 3.2Å; N158-R161 PolarHBondContact O-N 3.06Å; N158-V162 WeakPolarHBondContact O-CG2 3.18Å; N158-V162 PolarHBondContact O-N 3.21Å; N158-V162 VanDerWaalsContact O-N 3.11Å
159H75.3Confident73.5Confident53 Ų5377.7 Ų77.725%0.24541%0.41CS..Hα-helixtrans-66.8-35.3174.5-98.5-88.4000113.1D145 F146 K155 R161 V162 L163D145-H159 IonicContact OD2-CE1 3.68Å; D145-H159 PolarHBondContact OD2-CE1 2.91Å; D145-H159 IonicContact OD2-NE2 3.46Å; D145-H159 PolarHBondContact OD2-NE2 2.8Å; F146-H159 HydrophobicContact CE1-CB 3.97Å; F146-H159 HydrophobicContact CE2-CB 4.32Å; F146-H159 HydrophobicContact CZ-CB 3.65Å; K155-H159 PolarHBondContact O-N 3.28Å; H159-R161 VanDerWaalsContact C-N 3.34Å; H159-V162 WeakPolarHBondContact O-CB 3.49Å; H159-V162 PolarHBondContact O-N 3.39Å; H159-L163 PolarHBondContact O-N 2.95Å
160L81Confident74.7Confident6 Ų681.8 Ų81.83%0.03143%0.433CS..Hα-helixtrans-61.1-44.6174.2-168.763.9000111.1S156 R157 V162 L163 V164 K346 L347 E350S156-L160 WeakPolarHBondContact O-CB 3.42Å; S156-L160 PolarHBondContact O-N 3.36Å; R157-L160 PolarHBondContact O-N 2.69Å; L160-V162 VanDerWaalsContact C-N 3.33Å; L160-V162 PolarHBondContact O-N 2.97Å; L160-L163 WeakPolarHBondContact O-CB 3Å; L160-L163 PolarHBondContact O-N 3.48Å; L160-L163 VanDerWaalsContact O-N 3.08Å; L160-V164 WeakPolarHBondContact O-CG2 3.44Å; L160-V164 PolarHBondContact O-N 3.03Å; L160-K346 HydrophobicContact CD2-CB 3.83Å; L160-L347 HydrophobicContact CD1-CB 3.73Å; L160-L347 HydrophobicContact CD1-CD1 3.99Å; L160-L347 HydrophobicContact CD1-CG 4.46Å; L160-E350 VanDerWaalsContact CD2-CD 3.48Å; L160-E350 HydrophobicContact CD2-CG 4.34Å; L160-E350 WeakPolarHBondContact CD2-OE1 2.83Å; L160-E350 WeakPolarHBondContact CG-OE2 3.21Å
161R82.8Confident76.1Confident130 Ų13082.3 Ų82.349%0.49142%0.415SS..Hα-helixtrans-60-40.4173.7-69.4-178.5-161.4163.54.4112.8R157 N158 H159 L163 V164 N165R157-R161 WeakPolarHBondContact O-CG 3.35Å; R157-R161 PolarHBondContact O-N 2.97Å; N158-R161 PolarHBondContact O-N 3.06Å; H159-R161 VanDerWaalsContact C-N 3.34Å; R161-L163 VanDerWaalsContact C-N 3.27Å; R161-L163 PolarHBondContact O-N 3.35Å; R161-V164 PolarHBondContact O-N 3.37Å; R161-N165 WeakPolarHBondContact O-CB 3.26Å; R161-N165 VanDerWaalsContact O-CG 3.24Å; R161-N165 PolarHBondContact O-N 3.46Å
162V84.5Confident77.4Confident93 Ų9379.8 Ų79.856%0.56439%0.392SS*.Hα-helixtrans-59.4-42174.8172.40000110.5N158 H159 L160 N165 Y166N158-V162 WeakPolarHBondContact O-CG2 3.18Å; N158-V162 PolarHBondContact O-N 3.21Å; N158-V162 VanDerWaalsContact O-N 3.11Å; H159-V162 WeakPolarHBondContact O-CB 3.49Å; H159-V162 PolarHBondContact O-N 3.39Å; L160-V162 VanDerWaalsContact C-N 3.33Å; L160-V162 PolarHBondContact O-N 2.97Å; V162-N165 PolarHBondContact O-N 3.47Å; V162-Y166 WeakPolarHBondContact O-CB 3.06Å; V162-Y166 PolarHBondContact O-N 2.96Å
163L84.1Confident78.8Confident4 Ų483.9 Ų83.92%0.02141%0.405CS..Hα-helixtrans-69.3-40.3179.1-166.860.3000112.4L142 H159 L160 R161 Y166 F167 V335 L347L142-L163 HydrophobicContact CD2-CD1 3.71Å; H159-L163 PolarHBondContact O-N 2.95Å; L160-L163 WeakPolarHBondContact O-CB 3Å; L160-L163 PolarHBondContact O-N 3.48Å; L160-L163 VanDerWaalsContact O-N 3.08Å; R161-L163 VanDerWaalsContact C-N 3.27Å; R161-L163 PolarHBondContact O-N 3.35Å; L163-Y166 WeakPolarHBondContact O-CB 3.41Å; L163-Y166 PolarHBondContact O-N 2.68Å; L163-F167 HydrophobicContact CD1-CD2 3.97Å; L163-F167 HydrophobicContact CD1-CE2 3.5Å; L163-F167 VanDerWaalsContact CD1-CE2 3.5Å; L163-F167 HydrophobicContact CD1-CZ 4.47Å; L163-F167 HydrophobicContact CD2-CE2 4.49Å; L163-F167 HydrophobicContact CG-CD2 3.97Å; L163-F167 HydrophobicContact CG-CE2 3.79Å; L163-F167 VanDerWaalsContact O-CD2 3.24Å; L163-F167 WeakPolarHBondContact O-CD2 3.45Å; L163-F167 PolarHBondContact O-N 2.85Å; L163-V335 HydrophobicContact CD2-CG1 3.92Å; L163-L347 HydrophobicContact CB-CD1 4.03Å; L163-L347 HydrophobicContact CD2-CD1 3.76Å; L163-L347 HydrophobicContact CD2-CD2 3.53Å; L163-L347 HydrophobicContact CD2-CG 4.22Å; L163-L347 HydrophobicContact CG-CD1 3.73Å; L163-L347 HydrophobicContact CG-CD2 4.1Å
164V85.3Confident79.9Confident10 Ų1076.9 Ų76.96%0.06138%0.378CS..Hα-helixtrans-62.5-45.9173.5173.40000110.7L160 R161 Y166 F167 S168 L347 E350 L351 A354L160-V164 WeakPolarHBondContact O-CG2 3.44Å; L160-V164 PolarHBondContact O-N 3.03Å; R161-V164 PolarHBondContact O-N 3.37Å; V164-Y166 VanDerWaalsContact C-N 3.29Å; V164-Y166 PolarHBondContact O-N 3.37Å; V164-F167 PolarHBondContact O-N 3.49Å; V164-S168 VanDerWaalsContact O-CB 3.24Å; V164-S168 WeakPolarHBondContact O-CB 3.15Å; V164-S168 PolarHBondContact O-N 3.09Å; V164-S168 PolarHBondContact O-OG 2.81Å; V164-L347 HydrophobicContact CG2-CD1 3.74Å; V164-E350 HydrophobicContact CG2-CB 3.6Å; V164-L351 HydrophobicContact CG1-CD2 4.11Å; V164-L351 HydrophobicContact CG2-CG 4.47Å; V164-A354 HydrophobicContact CG1-CB 4.37Å
165N85.8Confident81.3Confident103 Ų10371.4 Ų71.455%0.55135%0.348SS*.Hα-helixtrans-62-39.3176.4-74.6-9.7000111.3R161 V162 S168 S169R161-N165 WeakPolarHBondContact O-CB 3.26Å; R161-N165 VanDerWaalsContact O-CG 3.24Å; R161-N165 PolarHBondContact O-N 3.46Å; V162-N165 PolarHBondContact O-N 3.47Å; N165-S168 PolarHBondContact O-N 2.88Å; N165-S169 WeakPolarHBondContact O-CB 3.47Å; N165-S169 PolarHBondContact O-N 2.99Å; N165-S169 PolarHBondContact O-OG 3.11Å
166Y87Confident82.5Confident44 Ų4470 Ų7017%0.17334%0.342CS..Hα-helixtrans-60.9-50.2176.1177.4-103.6000112.1L142 V162 L163 V164 S168 S169 Y171 H175L142-Y166 HydrophobicContact CD1-CE1 4.22Å; L142-Y166 HydrophobicContact CD2-CD1 4.01Å; L142-Y166 HydrophobicContact CD2-CE1 4.11Å; L142-Y166 HydrophobicContact CD2-CG 4.29Å; V162-Y166 WeakPolarHBondContact O-CB 3.06Å; V162-Y166 PolarHBondContact O-N 2.96Å; L163-Y166 WeakPolarHBondContact O-CB 3.41Å; L163-Y166 PolarHBondContact O-N 2.68Å; V164-Y166 VanDerWaalsContact C-N 3.29Å; V164-Y166 PolarHBondContact O-N 3.37Å; Y166-S168 VanDerWaalsContact C-N 3.33Å; Y166-S169 PolarHBondContact O-N 3.47Å; Y166-Y171 HydrophobicContact CD2-CD2 4.11Å; Y166-Y171 HydrophobicContact CD2-CE2 4.08Å; Y166-Y171 HydrophobicContact CE2-CD2 4.1Å; Y166-Y171 HydrophobicContact CE2-CE2 4.32Å; Y166-Y171 WeakPolarHBondContact O-CD2 3.18Å; Y166-H175 AromaticContact CE1-CE1 3.78Å; Y166-H175 AromaticContact CE1-NE2 3.27Å; Y166-H175 VanDerWaalsContact CE1-NE2 3.27Å; Y166-H175 WeakPolarHBondContact CE1-NE2 3.1Å; Y166-H175 AromaticContact CZ-CE1 4Å; Y166-H175 AromaticContact CZ-NE2 3.18Å; Y166-H175 PolarHBondContact OH-NE2 3.4Å
167F84.8Confident83.7Confident28 Ų2876.5 Ų76.512%0.12336%0.363CS..Hα-helixtrans-75.5-19.4179.3-75.4-66.4000114L163 V164 V331 L332 V335 L347 L351L163-F167 HydrophobicContact CD1-CD2 3.97Å; L163-F167 HydrophobicContact CD1-CE2 3.5Å; L163-F167 VanDerWaalsContact CD1-CE2 3.5Å; L163-F167 HydrophobicContact CD1-CZ 4.47Å; L163-F167 HydrophobicContact CD2-CE2 4.49Å; L163-F167 HydrophobicContact CG-CD2 3.97Å; L163-F167 HydrophobicContact CG-CE2 3.79Å; L163-F167 VanDerWaalsContact O-CD2 3.24Å; L163-F167 WeakPolarHBondContact O-CD2 3.45Å; L163-F167 PolarHBondContact O-N 2.85Å; V164-F167 PolarHBondContact O-N 3.49Å; F167-V331 HydrophobicContact CE1-CB 4.24Å; F167-V331 HydrophobicContact CE1-CG1 3.91Å; F167-V331 HydrophobicContact CZ-CG1 3.98Å; F167-L332 HydrophobicContact CD2-CD1 4.22Å; F167-L332 HydrophobicContact CE1-CB 4.15Å; F167-L332 HydrophobicContact CE1-CD1 4.36Å; F167-L332 HydrophobicContact CE2-CD1 3.81Å; F167-L332 HydrophobicContact CZ-CB 4.18Å; F167-L332 HydrophobicContact CZ-CD1 3.9Å; F167-V335 HydrophobicContact CZ-CG2 4.22Å; F167-L347 HydrophobicContact CE2-CD2 4.42Å; F167-L351 HydrophobicContact CB-CD2 3.93Å
168S81.6Confident84.6Confident55 Ų5570.3 Ų70.339%0.38534%0.34SS..Hα-helixtrans-85.1-17.9174.1-55.90000113V164 N165 Y166V164-S168 VanDerWaalsContact O-CB 3.24Å; V164-S168 WeakPolarHBondContact O-CB 3.15Å; V164-S168 PolarHBondContact O-N 3.09Å; V164-S168 PolarHBondContact O-OG 2.81Å; N165-S168 PolarHBondContact O-N 2.88Å; Y166-S168 VanDerWaalsContact C-N 3.33Å
169S83.1Confident85.4Confident57 Ų5766.8 Ų66.840%0.39932%0.32SS..SBendtrans-80.7153.9175.8-62.20000111.6N165 Y166 Y171N165-S169 WeakPolarHBondContact O-CB 3.47Å; N165-S169 PolarHBondContact O-N 2.99Å; N165-S169 PolarHBondContact O-OG 3.11Å; Y166-S169 PolarHBondContact O-N 3.47Å; S169-Y171 PolarHBondContact O-N 3.17Å
170D77.3Confident86.3Confident132 Ų13267.5 Ų67.571%0.70633%0.328SS*.SBendtrans-80.678.2-174.5-158.911.9000113K172D170-K172 WeakPolarHBondContact OD1-CD 3.35Å
171Y83.6Confident86.9Confident107 Ų10768.3 Ų68.342%0.4233%0.334SS..  trans-10819.9177.6-67.2-66.9000113.8Y166 S169 E173 T174 H175Y166-Y171 HydrophobicContact CD2-CD2 4.11Å; Y166-Y171 HydrophobicContact CD2-CE2 4.08Å; Y166-Y171 HydrophobicContact CE2-CD2 4.1Å; Y166-Y171 HydrophobicContact CE2-CE2 4.32Å; Y166-Y171 WeakPolarHBondContact O-CD2 3.18Å; S169-Y171 PolarHBondContact O-N 3.17Å; Y171-E173 PolarHBondContact O-N 3.23Å; Y171-T174 WeakPolarHBondContact O-CB 3.46Å; Y171-T174 PolarHBondContact O-N 3.02Å; Y171-H175 PolarHBondContact O-N 3.41Å
172K83.1Confident87.4Confident90 Ų9062.1 Ų62.139%0.39131%0.311SS..Hα-helixtrans-53.7-47.1-171.3-68.3175.2-176.9168.50113.7D170 T174 H175 F176D170-K172 WeakPolarHBondContact OD1-CD 3.35Å; K172-T174 VanDerWaalsContact C-N 3.29Å; K172-T174 PolarHBondContact O-N 3.45Å; K172-H175 PolarHBondContact O-N 2.9Å; K172-F176 WeakPolarHBondContact O-CB 3.39Å; K172-F176 PolarHBondContact O-N 3.38Å
173E86.9Confident87.8Confident152 Ų15259 Ų5971%0.7129%0.292SS*.Hα-helixtrans-60-40.3177.6-69.8-57142.800112.3Y171 F176 R177Y171-E173 PolarHBondContact O-N 3.23Å; E173-F176 PolarHBondContact O-N 3.21Å; E173-R177 WeakPolarHBondContact O-CB 3.43Å; E173-R177 PolarHBondContact O-N 3.04Å
174T88.4Confident88.4Confident40 Ų4063.8 Ų63.825%0.24531%0.313CS..Hα-helixtrans-72.4-36.6-178.8-55.70000111Y171 K172 Y178Y171-T174 WeakPolarHBondContact O-CB 3.46Å; Y171-T174 PolarHBondContact O-N 3.02Å; K172-T174 VanDerWaalsContact C-N 3.29Å; K172-T174 PolarHBondContact O-N 3.45Å; T174-Y178 WeakPolarHBondContact O-CB 3.31Å; T174-Y178 PolarHBondContact O-N 3.39Å; T174-Y178 VanDerWaalsContact O-N 3.11Å
175H90.6Very high88.9Confident1 Ų163.3 Ų63.31%0.00531%0.31CS..Hα-helixtrans-70.3-36.5173.7-65.2159.7000112.2Y166 Y171 K172 Y178 F179 D328 V331Y166-H175 AromaticContact CE1-CE1 3.78Å; Y166-H175 AromaticContact CE1-NE2 3.27Å; Y166-H175 VanDerWaalsContact CE1-NE2 3.27Å; Y166-H175 WeakPolarHBondContact CE1-NE2 3.1Å; Y166-H175 AromaticContact CZ-CE1 4Å; Y166-H175 AromaticContact CZ-NE2 3.18Å; Y166-H175 PolarHBondContact OH-NE2 3.4Å; Y171-H175 PolarHBondContact O-N 3.41Å; K172-H175 PolarHBondContact O-N 2.9Å; H175-Y178 WeakPolarHBondContact O-CB 3.43Å; H175-Y178 PolarHBondContact O-N 3.42Å; H175-F179 PolarHBondContact O-N 3.44Å; H175-D328 IonicContact CE1-OD1 2.69Å; H175-D328 IonicContact CG-OD1 3.61Å; H175-D328 IonicContact ND1-OD1 2.77Å; H175-D328 PolarHBondContact ND1-OD1 3.48Å; H175-V331 HydrophobicContact CB-CG2 4.14Å
176F90.9Very high89.3Confident104 Ų10458.8 Ų58.846%0.45629%0.285SS..Hα-helixtrans-65.2-46.5174.4-175.2-107.7000111.7K172 E173 Y178 F179 V180K172-F176 WeakPolarHBondContact O-CB 3.39Å; K172-F176 PolarHBondContact O-N 3.38Å; E173-F176 PolarHBondContact O-N 3.21Å; F176-Y178 VanDerWaalsContact C-N 3.31Å; F176-Y178 PolarHBondContact O-N 3.18Å; F176-F179 HydrophobicContact CD2-CD1 4.34Å; F176-F179 HydrophobicContact CE2-CD1 4.27Å; F176-F179 WeakPolarHBondContact O-CB 3.3Å; F176-F179 PolarHBondContact O-N 2.86Å; F176-F179 VanDerWaalsContact O-N 3.1Å; F176-V180 HydrophobicContact CD1-CG2 4.05Å; F176-V180 HydrophobicContact CE1-CG2 3.62Å; F176-V180 HydrophobicContact CE2-CG2 4.12Å; F176-V180 HydrophobicContact CG-CG2 4.48Å; F176-V180 HydrophobicContact CZ-CG2 3.66Å; F176-V180 WeakPolarHBondContact O-CG2 3.28Å; F176-V180 PolarHBondContact O-N 3.42Å
177R92.1Very high89.7Confident162 Ų16260.4 Ų60.461%0.61130%0.296SS*.Hα-helixtrans-58.1-42.7174.1-178171.956.9-176.1-5.5112.2E173 F179 V180 S181E173-R177 WeakPolarHBondContact O-CB 3.43Å; E173-R177 PolarHBondContact O-N 3.04Å; R177-F179 VanDerWaalsContact C-N 3.3Å; R177-F179 PolarHBondContact O-N 2.91Å; R177-V180 PolarHBondContact O-N 2.88Å; R177-S181 WeakPolarHBondContact O-CB 3.35Å; R177-S181 PolarHBondContact O-N 3.4Å; R177-S181 PolarHBondContact O-OG 2.83Å
178Y92.4Very high90.2Very high11 Ų1160.7 Ų60.74%0.04330%0.299CS..Hα-helixtrans-58.3-43.5175-178.2-93.3000112.1W131 E135 T174 H175 F176 Y182 F330 V331W131-Y178 HydrophobicContact CH2-CD1 4.1Å; W131-Y178 AromaticContact CH2-CD2 3.91Å; W131-Y178 HydrophobicContact CH2-CD2 3.91Å; W131-Y178 AromaticContact CH2-CE1 3.68Å; W131-Y178 HydrophobicContact CH2-CE1 3.68Å; W131-Y178 AromaticContact CH2-CE2 3.46Å; W131-Y178 HydrophobicContact CH2-CE2 3.46Å; W131-Y178 VanDerWaalsContact CH2-CE2 3.46Å; W131-Y178 HydrophobicContact CH2-CG 4.21Å; W131-Y178 AromaticContact CH2-CZ 3.34Å; W131-Y178 HydrophobicContact CZ2-CE1 4.07Å; W131-Y178 AromaticContact CZ2-CE2 3.84Å; W131-Y178 HydrophobicContact CZ2-CE2 3.84Å; W131-Y178 AromaticContact CZ2-CZ 3.48Å; W131-Y178 VanDerWaalsContact CZ2-CZ 3.48Å; W131-Y178 VanDerWaalsContact CZ2-OH 3.29Å; W131-Y178 WeakPolarHBondContact CZ2-OH 3.34Å; W131-Y178 HydrophobicContact CZ3-CE2 4.42Å; E135-Y178 HydrophobicContact CB-CE2 4.3Å; E135-Y178 HydrophobicContact CG-CE2 3.89Å; T174-Y178 WeakPolarHBondContact O-CB 3.31Å; T174-Y178 PolarHBondContact O-N 3.39Å; T174-Y178 VanDerWaalsContact O-N 3.11Å; H175-Y178 WeakPolarHBondContact O-CB 3.43Å; H175-Y178 PolarHBondContact O-N 3.42Å; F176-Y178 VanDerWaalsContact C-N 3.31Å; F176-Y178 PolarHBondContact O-N 3.18Å; Y178-Y182 PolarHBondContact O-N 3.12Å; Y178-Y182 VanDerWaalsContact O-N 3.15Å; Y178-F330 AromaticContact CD1-CD1 3.92Å; Y178-F330 HydrophobicContact CD1-CD1 3.92Å; Y178-F330 AromaticContact CD1-CE1 3.8Å; Y178-F330 HydrophobicContact CD1-CE1 3.8Å; Y178-F330 HydrophobicContact CE1-CD1 4.06Å; Y178-F330 AromaticContact CE1-CE1 3.65Å; Y178-F330 HydrophobicContact CE1-CE1 3.65Å; Y178-V331 HydrophobicContact CD1-CG2 3.73Å; Y178-V331 HydrophobicContact CE1-CG2 4.17Å; Y178-V331 HydrophobicContact CG-CG2 4.39Å
179F92.6Very high90.9Very high20 Ų2058.3 Ų58.39%0.08828%0.282CS..Hα-helixtrans-63.6-50175.4165.9-109.3000112.4H175 F176 R177 S181 Y182 V183 V295 F326 F330H175-F179 PolarHBondContact O-N 3.44Å; F176-F179 HydrophobicContact CD2-CD1 4.34Å; F176-F179 HydrophobicContact CE2-CD1 4.27Å; F176-F179 WeakPolarHBondContact O-CB 3.3Å; F176-F179 PolarHBondContact O-N 2.86Å; F176-F179 VanDerWaalsContact O-N 3.1Å; R177-F179 VanDerWaalsContact C-N 3.3Å; R177-F179 PolarHBondContact O-N 2.91Å; F179-S181 VanDerWaalsContact C-N 3.35Å; F179-S181 PolarHBondContact O-N 3.08Å; F179-Y182 WeakPolarHBondContact O-CB 3.37Å; F179-Y182 PolarHBondContact O-N 2.93Å; F179-V183 HydrophobicContact CD2-CG2 3.84Å; F179-V183 HydrophobicContact CE1-CG2 4.14Å; F179-V183 HydrophobicContact CE2-CG2 3.19Å; F179-V183 HydrophobicContact CZ-CG2 3.39Å; F179-V183 PolarHBondContact O-N 2.91Å; F179-V295 HydrophobicContact CZ-CG2 4.06Å; F179-F326 AromaticContact CD1-CD1 3.91Å; F179-F326 HydrophobicContact CD1-CD1 3.91Å; F179-F326 HydrophobicContact CD1-CE1 4.1Å; F179-F326 HydrophobicContact CD2-CD1 4.15Å; F179-F326 AromaticContact CD2-CE1 3.65Å; F179-F326 HydrophobicContact CD2-CE1 3.65Å; F179-F326 AromaticContact CE1-CD1 3.78Å; F179-F326 HydrophobicContact CE1-CD1 3.78Å; F179-F326 AromaticContact CE1-CE1 3.72Å; F179-F326 HydrophobicContact CE1-CE1 3.72Å; F179-F326 HydrophobicContact CE2-CD1 4.05Å; F179-F326 AromaticContact CE2-CE1 3.25Å; F179-F326 HydrophobicContact CE2-CE1 3.25Å; F179-F326 HydrophobicContact CE2-CZ 4.08Å; F179-F326 HydrophobicContact CG-CD1 4.08Å; F179-F326 HydrophobicContact CG-CE1 4.05Å; F179-F326 AromaticContact CZ-CD1 3.84Å; F179-F326 HydrophobicContact CZ-CD1 3.84Å; F179-F326 AromaticContact CZ-CE1 3.25Å; F179-F326 HydrophobicContact CZ-CE1 3.25Å; F179-F326 AromaticContact CZ-CZ 4Å; F179-F326 HydrophobicContact CZ-CZ 4Å; F179-F330 HydrophobicContact CB-CD1 4.01Å; F179-F330 HydrophobicContact CB-CG 4.4Å; F179-F330 HydrophobicContact CD2-CB 4.22Å; F179-F330 HydrophobicContact CD2-CD1 4.04Å; F179-F330 HydrophobicContact CD2-CD2 4.05Å; F179-F330 HydrophobicContact CD2-CE1 4.43Å; F179-F330 HydrophobicContact CD2-CE2 4.46Å; F179-F330 AromaticContact CD2-CG 3.82Å; F179-F330 HydrophobicContact CD2-CG 3.82Å
180V93.7Very high91.5Very high68 Ų6857 Ų5741%0.41227%0.27SS..Hα-helixtrans-59.5-45.6-179.5172.10000111.1F176 R177 Y182 V183 F184F176-V180 HydrophobicContact CD1-CG2 4.05Å; F176-V180 HydrophobicContact CE1-CG2 3.62Å; F176-V180 HydrophobicContact CE2-CG2 4.12Å; F176-V180 HydrophobicContact CG-CG2 4.48Å; F176-V180 HydrophobicContact CZ-CG2 3.66Å; F176-V180 WeakPolarHBondContact O-CG2 3.28Å; F176-V180 PolarHBondContact O-N 3.42Å; R177-V180 PolarHBondContact O-N 2.88Å; V180-Y182 VanDerWaalsContact C-N 3.27Å; V180-Y182 PolarHBondContact O-N 3.47Å; V180-V183 PolarHBondContact O-N 2.89Å; V180-F184 WeakPolarHBondContact O-CB 3.3Å; V180-F184 PolarHBondContact O-N 3.47Å
181S93.9Very high92.4Very high23 Ų2353.6 Ų53.616%0.16126%0.257CS..Hα-helixtrans-57.5-39.4174.3-710000112.3W134 R177 F179 C185W134-S181 WeakPolarHBondContact CZ3-O 3.33Å; R177-S181 WeakPolarHBondContact O-CB 3.35Å; R177-S181 PolarHBondContact O-N 3.4Å; R177-S181 PolarHBondContact O-OG 2.83Å; F179-S181 VanDerWaalsContact C-N 3.35Å; F179-S181 PolarHBondContact O-N 3.08Å; S181-C185 PolarHBondContact O-N 3.36Å; S181-C185 PolarHBondContact O-SG 3.21Å
182Y93.3Very high93Very high0 Ų049.1 Ų49.10%024%0.24CC..Hα-helixtrans-67.9-45.4176.8-169.2-100.3000112.4D21 F24 W131 Y178 F179 V180 F184 C185 E186 F330 R334D21-Y182 PolarHBondContact OD2-OH 3.37Å; F24-Y182 HydrophobicContact CD2-CE2 4.44Å; W131-Y182 AromaticContact CD2-CD2 3.7Å; W131-Y182 HydrophobicContact CD2-CD2 3.7Å; W131-Y182 HydrophobicContact CD2-CE2 4.3Å; W131-Y182 AromaticContact CE2-CD2 3.45Å; W131-Y182 VanDerWaalsContact CE2-CD2 3.45Å; W131-Y182 AromaticContact CE2-CE2 3.9Å; W131-Y182 AromaticContact CE3-CD2 3.83Å; W131-Y182 HydrophobicContact CE3-CD2 3.83Å; W131-Y182 HydrophobicContact CG-CD2 4.48Å; W131-Y182 AromaticContact CH2-CD2 3.55Å; W131-Y182 HydrophobicContact CH2-CD2 3.55Å; W131-Y182 HydrophobicContact CH2-CG 4.03Å; W131-Y182 AromaticContact CZ2-CD2 3.37Å; W131-Y182 HydrophobicContact CZ2-CD2 3.37Å; W131-Y182 HydrophobicContact CZ2-CE2 4.07Å; W131-Y182 HydrophobicContact CZ2-CG 4.26Å; W131-Y182 AromaticContact CZ3-CD2 3.77Å; W131-Y182 HydrophobicContact CZ3-CD2 3.77Å; W131-Y182 HydrophobicContact CZ3-CG 4.17Å; Y178-Y182 PolarHBondContact O-N 3.12Å; Y178-Y182 VanDerWaalsContact O-N 3.15Å; F179-Y182 WeakPolarHBondContact O-CB 3.37Å; F179-Y182 PolarHBondContact O-N 2.93Å; V180-Y182 VanDerWaalsContact C-N 3.27Å; V180-Y182 PolarHBondContact O-N 3.47Å; Y182-F184 VanDerWaalsContact C-N 3.28Å; Y182-F184 PolarHBondContact O-N 3.2Å; Y182-C185 WeakPolarHBondContact O-CB 3.45Å; Y182-C185 PolarHBondContact O-N 3.01Å; Y182-C185 VanDerWaalsContact O-N 3.12Å; Y182-E186 HydrophobicContact CD1-CG 4.02Å; Y182-E186 HydrophobicContact CE1-CG 3.66Å; Y182-E186 VanDerWaalsContact CE1-OE1 3.25Å; Y182-E186 WeakPolarHBondContact CE1-OE1 3.44Å; Y182-E186 PolarHBondContact O-N 2.77Å; Y182-F330 HydrophobicContact CD1-CE1 4.33Å; Y182-F330 HydrophobicContact CD1-CE2 4.04Å; Y182-F330 AromaticContact CD1-CZ 3.41Å; Y182-F330 HydrophobicContact CD1-CZ 3.41Å; Y182-F330 VanDerWaalsContact CD1-CZ 3.41Å; Y182-F330 HydrophobicContact CD2-CZ 4.37Å; Y182-F330 HydrophobicContact CE1-CE2 4.41Å; Y182-F330 AromaticContact CE1-CZ 3.99Å; Y182-F330 HydrophobicContact CE1-CZ 3.99Å; Y182-F330 HydrophobicContact CG-CE1 4.16Å; Y182-F330 AromaticContact CG-CZ 3.63Å; Y182-F330 HydrophobicContact CG-CZ 3.63Å; Y182-R334 PolarHBondContact OH-NH2 3.44Å
183V93.9Very high93.7Very high28 Ų2845 Ų4517%0.1722%0.223CC..Hα-helixtrans-63.6-37.6178.6175.50000110.9F179 V180 C185 E186 I187 R291F179-V183 HydrophobicContact CD2-CG2 3.84Å; F179-V183 HydrophobicContact CE1-CG2 4.14Å; F179-V183 HydrophobicContact CE2-CG2 3.19Å; F179-V183 HydrophobicContact CZ-CG2 3.39Å; F179-V183 PolarHBondContact O-N 2.91Å; V180-V183 PolarHBondContact O-N 2.89Å; V183-C185 VanDerWaalsContact C-N 3.31Å; V183-C185 PolarHBondContact O-N 3.35Å; V183-E186 PolarHBondContact O-N 2.87Å; V183-E186 VanDerWaalsContact O-N 3.1Å; V183-I187 HydrophobicContact CG1-CD1 3.93Å; V183-I187 HydrophobicContact CG1-CG1 4.32Å; V183-I187 WeakPolarHBondContact O-CG1 3.47Å; V183-I187 PolarHBondContact O-N 3.4Å; V183-R291 HydrophobicContact CG2-CG 4.4Å
184F95.5Very high94Very high104 Ų10441.8 Ų41.846%0.45621%0.21SC..Hα-helixtrans-56.9-45.3172.4179.7-88.3000111.5L130 W134 V180 Y182 E186 I187 L188L130-F184 HydrophobicContact CD1-CE1 4.28Å; W134-F184 AromaticContact CH2-CD1 3.35Å; W134-F184 HydrophobicContact CH2-CD1 3.35Å; W134-F184 AromaticContact CH2-CE1 3.65Å; W134-F184 HydrophobicContact CH2-CE1 3.65Å; W134-F184 HydrophobicContact CH2-CG 4.12Å; W134-F184 HydrophobicContact CZ3-CB 4.28Å; W134-F184 AromaticContact CZ3-CD1 3.52Å; W134-F184 HydrophobicContact CZ3-CD1 3.52Å; W134-F184 HydrophobicContact CZ3-CE1 4.23Å; W134-F184 HydrophobicContact CZ3-CG 4.21Å; V180-F184 WeakPolarHBondContact O-CB 3.3Å; V180-F184 PolarHBondContact O-N 3.47Å; Y182-F184 VanDerWaalsContact C-N 3.28Å; Y182-F184 PolarHBondContact O-N 3.2Å; F184-E186 PolarHBondContact O-N 3.39Å; F184-I187 PolarHBondContact O-N 3.09Å; F184-L188 HydrophobicContact CE1-CD2 4.25Å; F184-L188 WeakPolarHBondContact O-CB 3.11Å; F184-L188 PolarHBondContact O-N 3.06Å
185C95.6Very high94.3Very high0 Ų044.5 Ų44.50%022%0.222CC..Hα-helixtrans-64.4-36.2174.4-68.60000112.8F24 P127 S181 Y182 V183 L188 N189F24-C185 HydrophobicContact CE2-CB 3.86Å; F24-C185 HydrophobicContact CZ-CB 4.01Å; P127-C185 PolarHBondContact O-SG 3.44Å; P127-C185 VanDerWaalsContact O-SG 3.42Å; S181-C185 PolarHBondContact O-N 3.36Å; S181-C185 PolarHBondContact O-SG 3.21Å; Y182-C185 WeakPolarHBondContact O-CB 3.45Å; Y182-C185 PolarHBondContact O-N 3.01Å; Y182-C185 VanDerWaalsContact O-N 3.12Å; V183-C185 VanDerWaalsContact C-N 3.31Å; V183-C185 PolarHBondContact O-N 3.35Å; C185-L188 PolarHBondContact O-N 2.84Å; C185-N189 VanDerWaalsContact O-CG 3.24Å; C185-N189 PolarHBondContact O-N 3.4Å; C185-N189 PolarHBondContact O-ND2 2.99Å
186E94.6Very high94.5Very high9 Ų945.1 Ų45.14%0.04223%0.225CC..Hα-helixtrans-63.8-43.4173.9-73.4-174.1138.700111.7Y182 V183 F184 N189 L190 K287 R291Y182-E186 HydrophobicContact CD1-CG 4.02Å; Y182-E186 HydrophobicContact CE1-CG 3.66Å; Y182-E186 VanDerWaalsContact CE1-OE1 3.25Å; Y182-E186 WeakPolarHBondContact CE1-OE1 3.44Å; Y182-E186 PolarHBondContact O-N 2.77Å; V183-E186 PolarHBondContact O-N 2.87Å; V183-E186 VanDerWaalsContact O-N 3.1Å; F184-E186 PolarHBondContact O-N 3.39Å; E186-N189 PolarHBondContact O-N 3.15Å; E186-L190 PolarHBondContact O-N 2.88Å; E186-K287 VanDerWaalsContact OE1-CE 3.26Å; E186-K287 WeakPolarHBondContact OE1-CE 3.39Å; E186-R291 IonicContact OE1-NE 3.48Å; E186-R291 IonicContact OE1-NH2 3.71Å; E186-R291 PolarHBondContact OE1-NH2 3.25Å; E186-R291 IonicContact OE2-CZ 3.35Å; E186-R291 IonicContact OE2-NE 3.06Å; E186-R291 PolarHBondContact OE2-NE 3.48Å; E186-R291 IonicContact OE2-NH2 2.63Å; E186-R291 PolarHBondContact OE2-NH2 3.49Å
187I95.3Very high94.5Very high77 Ų7743.2 Ų43.240%0.39522%0.217SC..Hα-helixtrans-62.6-47.3174.8-68.1166.4000110V183 F184 N189 L190 S191 F288V183-I187 HydrophobicContact CG1-CD1 3.93Å; V183-I187 HydrophobicContact CG1-CG1 4.32Å; V183-I187 WeakPolarHBondContact O-CG1 3.47Å; V183-I187 PolarHBondContact O-N 3.4Å; F184-I187 PolarHBondContact O-N 3.09Å; I187-N189 VanDerWaalsContact C-N 3.31Å; I187-N189 PolarHBondContact O-N 2.99Å; I187-L190 WeakPolarHBondContact O-CB 3.24Å; I187-L190 PolarHBondContact O-N 3.13Å; I187-L190 VanDerWaalsContact O-N 3.08Å; I187-S191 PolarHBondContact O-N 2.93Å; I187-S191 PolarHBondContact O-OG 3.26Å; I187-F288 HydrophobicContact CG1-CE2 3.77Å
188L96.1Very high94.5Very high35 Ų3540.3 Ų40.318%0.18321%0.213CC..Hα-helixtrans-60.7-40180-170.464000111.8M126 P127 L130 F184 C185 L190 S191 I192M126-L188 HydrophobicContact CE-CD2 4.46Å; M126-L188 HydrophobicContact CG-CD2 4.46Å; M126-L188 HydrophobicContact SD-CD2 4.36Å; P127-L188 HydrophobicContact CB-CD2 4.24Å; P127-L188 HydrophobicContact CG-CB 4.36Å; P127-L188 HydrophobicContact CG-CD2 3.88Å; P127-L188 HydrophobicContact CG-CG 3.96Å; L130-L188 HydrophobicContact CD1-CD2 3.82Å; F184-L188 HydrophobicContact CE1-CD2 4.25Å; F184-L188 WeakPolarHBondContact O-CB 3.11Å; F184-L188 PolarHBondContact O-N 3.06Å; C185-L188 PolarHBondContact O-N 2.84Å; L188-L190 VanDerWaalsContact C-N 3.35Å; L188-L190 PolarHBondContact O-N 3.27Å; L188-S191 PolarHBondContact O-N 3.2Å; L188-I192 HydrophobicContact CD1-CD1 4.26Å; L188-I192 HydrophobicContact CD1-CG1 4.48Å; L188-I192 HydrophobicContact CD2-CD1 4.48Å; L188-I192 HydrophobicContact CG-CD1 3.81Å; L188-I192 HydrophobicContact CG-CG1 4.46Å; L188-I192 WeakPolarHBondContact O-CB 3.42Å; L188-I192 WeakPolarHBondContact O-CD1 3.31Å; L188-I192 WeakPolarHBondContact O-CG1 3.39Å; L188-I192 PolarHBondContact O-N 3.36Å
189N95.6Very high94.5Very high5 Ų544.8 Ų44.83%0.02724%0.237CC..Hα-helixtrans-59.2-44.1173.1-74-34.8000112.3F24 H27 P127 C185 E186 I187 S193 I284F24-N189 WeakPolarHBondContact CD2-ND2 3.1Å; F24-N189 WeakPolarHBondContact CE2-ND2 3.39Å; F24-N189 WeakPolarHBondContact CZ-ND2 3.27Å; H27-N189 PolarHBondContact CE1-OD1 3.37Å; H27-N189 PolarHBondContact ND1-OD1 2.7Å; H27-N189 PolarHBondContact NE2-O 2.9Å; P127-N189 WeakPolarHBondContact CB-OD1 3.43Å; P127-N189 WeakPolarHBondContact CG-OD1 3.25Å; C185-N189 VanDerWaalsContact O-CG 3.24Å; C185-N189 PolarHBondContact O-N 3.4Å; C185-N189 PolarHBondContact O-ND2 2.99Å; E186-N189 PolarHBondContact O-N 3.15Å; I187-N189 VanDerWaalsContact C-N 3.31Å; I187-N189 PolarHBondContact O-N 2.99Å; N189-S193 WeakPolarHBondContact O-CB 3.26Å; N189-S193 PolarHBondContact O-N 2.94Å; N189-S193 PolarHBondContact O-OG 3.45Å; N189-I284 HydrophobicContact CB-CD1 4.45Å; N189-I284 HydrophobicContact CB-CG2 4.22Å
190L96.1Very high94.4Very high28 Ų2843.9 Ų43.915%0.14723%0.233CC..Hα-helixtrans-65.4-47.4178.9-179.262.8000110.8E186 I187 L188 I192 S193 I194 I284 S285 F288E186-L190 PolarHBondContact O-N 2.88Å; I187-L190 WeakPolarHBondContact O-CB 3.24Å; I187-L190 PolarHBondContact O-N 3.13Å; I187-L190 VanDerWaalsContact O-N 3.08Å; L188-L190 VanDerWaalsContact C-N 3.35Å; L188-L190 PolarHBondContact O-N 3.27Å; L190-I192 PolarHBondContact O-N 3.22Å; L190-S193 PolarHBondContact O-N 2.88Å; L190-I194 HydrophobicContact CD1-CD1 3.95Å; L190-I194 HydrophobicContact CD1-CG1 4.37Å; L190-I194 HydrophobicContact CG-CD1 3.93Å; L190-I194 WeakPolarHBondContact O-CG1 3.49Å; L190-I194 PolarHBondContact O-N 3.3Å; L190-I284 HydrophobicContact CB-CG2 3.89Å; L190-I284 HydrophobicContact CD1-CG2 4.11Å; L190-S285 WeakPolarHBondContact CD1-OG 3.19Å; L190-F288 HydrophobicContact CD2-CB 4.34Å; L190-F288 HydrophobicContact CD2-CD1 4.08Å; L190-F288 HydrophobicContact CD2-CD2 4.44Å; L190-F288 HydrophobicContact CD2-CG 4.02Å
191S96.5Very high94.2Very high61 Ų6143 Ų4343%0.42723%0.226SC..Hα-helixtrans-59.5-44.7177.1-61.40000111.9I187 L188 I194 L195I187-S191 PolarHBondContact O-N 2.93Å; I187-S191 PolarHBondContact O-OG 3.26Å; L188-S191 PolarHBondContact O-N 3.2Å; S191-I194 PolarHBondContact O-N 3.18Å; S191-L195 WeakPolarHBondContact O-CB 3.19Å; S191-L195 PolarHBondContact O-N 3.32Å
192I96.9Very high94Very high13 Ų1347.4 Ų47.47%0.06725%0.252CS..Hα-helixtrans-61.7-45.7176.4-73.1164000110.7V123 F124 P127 L188 L190 I194 L195 N196V123-I192 HydrophobicContact CG1-CB 4.47Å; V123-I192 HydrophobicContact CG1-CD1 4.05Å; V123-I192 HydrophobicContact CG1-CG1 3.86Å; V123-I192 HydrophobicContact CG1-CG2 3.83Å; V123-I192 WeakPolarHBondContact O-CD1 3.35Å; F124-I192 HydrophobicContact CD1-CG2 4.19Å; F124-I192 HydrophobicContact CD2-CG2 4.16Å; F124-I192 HydrophobicContact CE1-CG2 4.17Å; F124-I192 HydrophobicContact CE2-CG2 4.16Å; F124-I192 HydrophobicContact CG-CG2 4.18Å; F124-I192 HydrophobicContact CZ-CG2 4.15Å; P127-I192 HydrophobicContact CG-CD1 3.46Å; P127-I192 VanDerWaalsContact CG-CD1 3.46Å; L188-I192 HydrophobicContact CD1-CD1 4.26Å; L188-I192 HydrophobicContact CD1-CG1 4.48Å; L188-I192 HydrophobicContact CD2-CD1 4.48Å; L188-I192 HydrophobicContact CG-CD1 3.81Å; L188-I192 HydrophobicContact CG-CG1 4.46Å; L188-I192 WeakPolarHBondContact O-CB 3.42Å; L188-I192 WeakPolarHBondContact O-CD1 3.31Å; L188-I192 WeakPolarHBondContact O-CG1 3.39Å; L188-I192 PolarHBondContact O-N 3.36Å; L190-I192 PolarHBondContact O-N 3.22Å; I192-I194 PolarHBondContact O-N 3.45Å; I192-L195 PolarHBondContact O-N 3.22Å; I192-N196 WeakPolarHBondContact O-CB 3.43Å; I192-N196 PolarHBondContact O-N 3.27Å
193S96Very high93.7Very high5 Ų550.6 Ų50.64%0.03527%0.266CS..Hα-helixtrans-62.6-42-179.6-66.70000112.4H27 N189 L190 F197 I284H27-S193 PolarHBondContact CD2-OG 3.46Å; H27-S193 VanDerWaalsContact CD2-OG 3.31Å; H27-S193 PolarHBondContact NE2-OG 3.42Å; H27-S193 VanDerWaalsContact NE2-OG 3.14Å; N189-S193 WeakPolarHBondContact O-CB 3.26Å; N189-S193 PolarHBondContact O-N 2.94Å; N189-S193 PolarHBondContact O-OG 3.45Å; L190-S193 PolarHBondContact O-N 2.88Å; S193-F197 PolarHBondContact O-N 2.8Å; S193-I284 VanDerWaalsContact OG-CD1 3.26Å; S193-I284 WeakPolarHBondContact OG-CD1 3.45Å
194I94.1Very high93.2Very high84 Ų8449.9 Ų49.943%0.43126%0.26SS..Hα-helixtrans-68.5-49.2177.3-66168.6000110.4L190 S191 I192 N196 F197 L198L190-I194 HydrophobicContact CD1-CD1 3.95Å; L190-I194 HydrophobicContact CD1-CG1 4.37Å; L190-I194 HydrophobicContact CG-CD1 3.93Å; L190-I194 WeakPolarHBondContact O-CG1 3.49Å; L190-I194 PolarHBondContact O-N 3.3Å; S191-I194 PolarHBondContact O-N 3.18Å; I192-I194 PolarHBondContact O-N 3.45Å; I194-N196 VanDerWaalsContact C-N 3.32Å; I194-N196 PolarHBondContact O-N 2.83Å; I194-F197 PolarHBondContact O-N 3.43Å; I194-L198 HydrophobicContact CG2-CD1 4.05Å; I194-L198 WeakPolarHBondContact O-CG 3.39Å; I194-L198 PolarHBondContact O-N 3.1Å; I194-L198 VanDerWaalsContact O-N 3.1Å
195L94.9Very high92.5Very high97 Ų9747 Ų4751%0.50826%0.26SS..Hα-helixtrans-62.5-41.2-178.3-177.862.2000111.3S191 I192 F197 L198 L199S191-L195 WeakPolarHBondContact O-CB 3.19Å; S191-L195 PolarHBondContact O-N 3.32Å; I192-L195 PolarHBondContact O-N 3.22Å; L195-F197 VanDerWaalsContact C-N 3.34Å; L195-F197 PolarHBondContact O-N 3.42Å; L195-L198 PolarHBondContact O-N 3Å; L195-L199 HydrophobicContact CD1-CD1 3.98Å; L195-L199 HydrophobicContact CD1-CD2 4.37Å; L195-L199 HydrophobicContact CD1-CG 3.86Å; L195-L199 HydrophobicContact CD2-CD1 4.25Å; L195-L199 HydrophobicContact CG-CD1 3.7Å; L195-L199 HydrophobicContact CG-CG 4.04Å; L195-L199 WeakPolarHBondContact O-CB 3.15Å; L195-L199 VanDerWaalsContact O-CG 3.28Å; L195-L199 WeakPolarHBondContact O-CG 3.29Å; L195-L199 PolarHBondContact O-N 3.45Å
196N94.6Very high91.8Very high13 Ų1348 Ų487%0.0727%0.27CS..Hα-helixtrans-57.9-46.5175.4-175.379000111.9E120 F124 I192 I194 L198 L199 L200 F277E120-N196 WeakPolarHBondContact CG-OD1 3.44Å; E120-N196 PolarHBondContact OE1-OD1 3.26Å; F124-N196 HydrophobicContact CE2-CB 3.95Å; F124-N196 WeakPolarHBondContact CE2-OD1 3.43Å; F124-N196 HydrophobicContact CZ-CB 3.95Å; I192-N196 WeakPolarHBondContact O-CB 3.43Å; I192-N196 PolarHBondContact O-N 3.27Å; I194-N196 VanDerWaalsContact C-N 3.32Å; I194-N196 PolarHBondContact O-N 2.83Å; N196-L198 PolarHBondContact O-N 2.72Å; N196-L199 PolarHBondContact O-N 3.48Å; N196-L200 WeakPolarHBondContact O-CB 3.3Å; N196-L200 WeakPolarHBondContact O-CG 3.45Å; N196-L200 PolarHBondContact O-N 2.92Å; N196-F277 WeakPolarHBondContact ND2-CE1 3.44Å; N196-F277 WeakPolarHBondContact ND2-CE2 3.43Å; N196-F277 VanDerWaalsContact ND2-CZ 3.33Å; N196-F277 WeakPolarHBondContact ND2-CZ 3.37Å
197F91.6Very high91.2Very high65 Ų6547.7 Ų47.729%0.28527%0.269SS..Hα-helixtrans-60.9-44.6178.9-173.5-91000111.9S193 I194 L195 D201 W208 W274 I278S193-F197 PolarHBondContact O-N 2.8Å; I194-F197 PolarHBondContact O-N 3.43Å; L195-F197 VanDerWaalsContact C-N 3.34Å; L195-F197 PolarHBondContact O-N 3.42Å; F197-D201 PolarHBondContact O-N 3.47Å; F197-W208 AromaticContact CE1-CD1 3.85Å; F197-W208 AromaticContact CE2-CD1 3.94Å; F197-W208 HydrophobicContact CE2-CG 4.22Å; F197-W208 HydrophobicContact CZ-CB 4.22Å; F197-W208 AromaticContact CZ-CD1 3.65Å; F197-W208 HydrophobicContact CZ-CG 4Å; F197-W208 PolarHBondContact O-NE1 3.46Å; F197-W274 AromaticContact CE2-CD1 3.82Å; F197-W274 AromaticContact CE2-NE1 3.64Å; F197-W274 AromaticContact CZ-NE1 3.98Å; F197-I278 HydrophobicContact CD2-CG1 4.48Å; F197-I278 HydrophobicContact CE2-CD1 4.28Å; F197-I278 HydrophobicContact CE2-CG1 3.88Å
198L92.1Very high90.7Very high100 Ų10044.4 Ų44.452%0.52425%0.252SS..Hα-helixtrans-68.3-45.9179-65.3175.3000112.4I194 L195 N196 L200 D201 V202I194-L198 HydrophobicContact CG2-CD1 4.05Å; I194-L198 WeakPolarHBondContact O-CG 3.39Å; I194-L198 PolarHBondContact O-N 3.1Å; I194-L198 VanDerWaalsContact O-N 3.1Å; L195-L198 PolarHBondContact O-N 3Å; N196-L198 PolarHBondContact O-N 2.72Å; L198-L200 VanDerWaalsContact C-N 3.35Å; L198-L200 PolarHBondContact O-N 2.93Å; L198-D201 PolarHBondContact O-N 3.4Å; L198-V202 WeakPolarHBondContact O-CG2 3.28Å; L198-V202 PolarHBondContact O-N 3.2Å; L198-V202 VanDerWaalsContact O-N 3.09Å
199L92.2Very high90.1Very high105 Ų10544.2 Ų44.255%0.5526%0.258SS..Hα-helixtrans-62.5-42.2-179.6-75177.6000111.6L195 N196 D201 V202 F203L195-L199 HydrophobicContact CD1-CD1 3.98Å; L195-L199 HydrophobicContact CD1-CD2 4.37Å; L195-L199 HydrophobicContact CD1-CG 3.86Å; L195-L199 HydrophobicContact CD2-CD1 4.25Å; L195-L199 HydrophobicContact CG-CD1 3.7Å; L195-L199 HydrophobicContact CG-CG 4.04Å; L195-L199 WeakPolarHBondContact O-CB 3.15Å; L195-L199 VanDerWaalsContact O-CG 3.28Å; L195-L199 WeakPolarHBondContact O-CG 3.29Å; L195-L199 PolarHBondContact O-N 3.45Å; N196-L199 PolarHBondContact O-N 3.48Å; L199-D201 VanDerWaalsContact C-N 3.33Å; L199-D201 PolarHBondContact O-N 3.3Å; L199-V202 PolarHBondContact O-N 2.83Å; L199-F203 VanDerWaalsContact O-CB 3.28Å; L199-F203 WeakPolarHBondContact O-CB 3.44Å; L199-F203 PolarHBondContact O-N 2.99Å
200L90.6Very high89.5Confident2 Ų249.3 Ų49.31%0.0128%0.277CS..Hα-helixtrans-67.2-33.5176.3-75.8179000112.8V116 E120 N196 L198 F203 F204 W208 F270 F277V116-L200 HydrophobicContact CG1-CD2 4.13Å; E120-L200 WeakPolarHBondContact OE1-CD1 3.49Å; E120-L200 WeakPolarHBondContact OE1-CD2 3.47Å; E120-L200 VanDerWaalsContact OE1-CG 3.3Å; E120-L200 WeakPolarHBondContact OE1-CG 3.3Å; N196-L200 WeakPolarHBondContact O-CB 3.3Å; N196-L200 WeakPolarHBondContact O-CG 3.45Å; N196-L200 PolarHBondContact O-N 2.92Å; L198-L200 VanDerWaalsContact C-N 3.35Å; L198-L200 PolarHBondContact O-N 2.93Å; L200-F203 PolarHBondContact O-N 3.14Å; L200-F204 HydrophobicContact CD2-CE2 3.96Å; L200-F204 VanDerWaalsContact O-CD2 3.25Å; L200-F204 WeakPolarHBondContact O-CD2 3.41Å; L200-F204 PolarHBondContact O-N 3.29Å; L200-F204 VanDerWaalsContact O-N 3.08Å; L200-W208 HydrophobicContact CB-CZ2 3.54Å; L200-W208 HydrophobicContact CD1-CH2 4.43Å; L200-W208 HydrophobicContact CD1-CZ2 3.9Å; L200-W208 HydrophobicContact CG-CZ2 4.38Å; L200-F270 HydrophobicContact CD2-CE1 4.34Å; L200-F277 HydrophobicContact CD1-CD2 4.08Å; L200-F277 HydrophobicContact CD1-CE2 3.49Å; L200-F277 VanDerWaalsContact CD1-CE2 3.49Å; L200-F277 HydrophobicContact CD1-CZ 4.3Å
201D90.1Very high89Confident48 Ų4849.1 Ų49.126%0.25727%0.274SS..Hα-helixtrans-63.9-44.5175.3-16046000110.9F197 L198 L199 G205 G206 F207 W208F197-D201 PolarHBondContact O-N 3.47Å; L198-D201 PolarHBondContact O-N 3.4Å; L199-D201 VanDerWaalsContact C-N 3.33Å; L199-D201 PolarHBondContact O-N 3.3Å; D201-G205 PolarHBondContact O-N 2.84Å; D201-G205 VanDerWaalsContact O-N 3.16Å; D201-G206 PolarHBondContact O-N 3.21Å; D201-G206 WeakPolarHBondContact OD1-CA 3.35Å; D201-F207 PolarHBondContact OD1-N 3.18Å; D201-W208 HydrophobicContact CB-CG 4.39Å; D201-W208 WeakPolarHBondContact OD1-CB 3.43Å; D201-W208 PolarHBondContact OD1-N 2.95Å; D201-W208 VanDerWaalsContact OD1-N 3.14Å
202V89.1Confident88.6Confident116 Ų11653 Ų5370%0.70328%0.279SS*.Hα-helixtrans-65.1-44.2175.8174.90000110.8L198 L199 F204 G205L198-V202 WeakPolarHBondContact O-CG2 3.28Å; L198-V202 PolarHBondContact O-N 3.2Å; L198-V202 VanDerWaalsContact O-N 3.09Å; L199-V202 PolarHBondContact O-N 2.83Å; V202-F204 VanDerWaalsContact C-N 3.29Å; V202-F204 PolarHBondContact O-N 3.14Å; V202-G205 PolarHBondContact O-N 3.31Å; V202-G205 VanDerWaalsContact O-N 3.12Å
203F87.3Confident88.1Confident67 Ų6755.8 Ų55.829%0.29429%0.294SS..Hα-helixtrans-59.6-37.8-178.9-178.4-100.6000112.8W112 V113 V116 L199 L200W112-F203 HydrophobicContact CB-CE2 4.26Å; W112-F203 HydrophobicContact CB-CZ 4.07Å; V113-F203 HydrophobicContact CG2-CE1 4.06Å; V113-F203 HydrophobicContact CG2-CZ 4.44Å; V116-F203 HydrophobicContact CG2-CD2 4.46Å; V116-F203 HydrophobicContact CG2-CE2 3.92Å; V116-F203 HydrophobicContact CG2-CZ 3.97Å; L199-F203 VanDerWaalsContact O-CB 3.28Å; L199-F203 WeakPolarHBondContact O-CB 3.44Å; L199-F203 PolarHBondContact O-N 2.99Å; L200-F203 PolarHBondContact O-N 3.14Å
204F83.3Confident87.6Confident13 Ų1355.5 Ų55.56%0.05729%0.293CS..THydrogen-bonded Turntrans-9710.8177.4-64.2-64.4000114.5Y109 V113 L200 V202 F207 V233 F234 F270Y109-F204 HydrophobicContact CD2-CD1 4.23Å; Y109-F204 AromaticContact CD2-CE1 3.89Å; Y109-F204 HydrophobicContact CD2-CE1 3.89Å; Y109-F204 HydrophobicContact CE2-CD1 4.44Å; Y109-F204 HydrophobicContact CE2-CE1 4.14Å; V113-F204 HydrophobicContact CG2-CE1 4.29Å; V113-F204 HydrophobicContact CG2-CZ 4.48Å; L200-F204 HydrophobicContact CD2-CE2 3.96Å; L200-F204 VanDerWaalsContact O-CD2 3.25Å; L200-F204 WeakPolarHBondContact O-CD2 3.41Å; L200-F204 PolarHBondContact O-N 3.29Å; L200-F204 VanDerWaalsContact O-N 3.08Å; V202-F204 VanDerWaalsContact C-N 3.29Å; V202-F204 PolarHBondContact O-N 3.14Å; F204-F207 HydrophobicContact CB-CB 3.39Å; F204-F207 HydrophobicContact CB-CG 4.26Å; F204-F207 HydrophobicContact CD2-CB 4.41Å; F204-F207 HydrophobicContact CD2-CD1 4.36Å; F204-F207 HydrophobicContact CG-CB 4.19Å; F204-V233 HydrophobicContact CB-CG1 4.49Å; F204-F234 AromaticContact CD1-CE1 3.93Å; F204-F234 HydrophobicContact CD1-CE1 3.93Å; F204-F234 AromaticContact CD1-CZ 3.91Å; F204-F234 HydrophobicContact CD1-CZ 3.91Å; F204-F234 AromaticContact CE1-CE1 3.75Å; F204-F234 HydrophobicContact CE1-CE1 3.75Å; F204-F234 AromaticContact CE1-CZ 3.86Å; F204-F234 HydrophobicContact CE1-CZ 3.86Å; F204-F234 HydrophobicContact CG-CZ 4.4Å; F204-F234 HydrophobicContact CZ-CE1 4.5Å; F204-F234 HydrophobicContact CZ-CZ 4.29Å; F204-F270 HydrophobicContact CE1-CD2 4.42Å; F204-F270 HydrophobicContact CE1-CE2 4.32Å; F204-F270 AromaticContact CE2-CD1 3.53Å; F204-F270 HydrophobicContact CE2-CD1 3.53Å; F204-F270 HydrophobicContact CE2-CD2 4.22Å; F204-F270 AromaticContact CE2-CE1 3.55Å; F204-F270 HydrophobicContact CE2-CE1 3.55Å; F204-F270 HydrophobicContact CE2-CE2 4.25Å; F204-F270 AromaticContact CE2-CG 3.89Å; F204-F270 HydrophobicContact CE2-CG 3.89Å; F204-F270 AromaticContact CE2-CZ 3.94Å; F204-F270 HydrophobicContact CE2-CZ 3.94Å; F204-F270 AromaticContact CZ-CD1 3.79Å; F204-F270 HydrophobicContact CZ-CD1 3.79Å; F204-F270 AromaticContact CZ-CD2 3.68Å; F204-F270 HydrophobicContact CZ-CD2 3.68Å; F204-F270 AromaticContact CZ-CE1 3.58Å; F204-F270 HydrophobicContact CZ-CE1 3.58Å; F204-F270 AromaticContact CZ-CE2 3.49Å; F204-F270 HydrophobicContact CZ-CE2 3.49Å; F204-F270 VanDerWaalsContact CZ-CE2 3.49Å; F204-F270 AromaticContact CZ-CG 3.84Å; F204-F270 HydrophobicContact CZ-CG 3.84Å; F204-F270 AromaticContact CZ-CZ 3.45Å; F204-F270 HydrophobicContact CZ-CZ 3.45Å; F204-F270 VanDerWaalsContact CZ-CZ 3.45Å
205G80.2Confident87.2Confident43 Ų4354.7 Ų54.744%0.44329%0.289SS..THydrogen-bonded Turntrans66.942.4176.100000114.5D201 V202 R210D201-G205 PolarHBondContact O-N 2.84Å; D201-G205 VanDerWaalsContact O-N 3.16Å; V202-G205 PolarHBondContact O-N 3.31Å; V202-G205 VanDerWaalsContact O-N 3.12Å; G205-R210 PolarHBondContact O-NE 2.88Å; G205-R210 PolarHBondContact O-NH2 3.43Å
206G81.7Confident86.9Confident22 Ų2254.6 Ų54.623%0.22729%0.288CS..SBendtrans84.632.8179.400000113.8D201 W208 G209 R210D201-G206 PolarHBondContact O-N 3.21Å; D201-G206 WeakPolarHBondContact OD1-CA 3.35Å; G206-W208 VanDerWaalsContact C-N 3.31Å; G206-W208 PolarHBondContact O-N 3.49Å; G206-G209 PolarHBondContact O-N 3.1Å; G206-R210 WeakPolarHBondContact O-CG 3.42Å; G206-R210 PolarHBondContact O-N 3.36Å
207F81.5Confident86.5Confident3 Ų355.1 Ų55.11%0.01329%0.293CS..Hα-helixtrans-55.8-43.6-176.5173.1-128.3000112.7D201 F204 G209 R210 Y211 V233 F234 F270D201-F207 PolarHBondContact OD1-N 3.18Å; F204-F207 HydrophobicContact CB-CB 3.39Å; F204-F207 HydrophobicContact CB-CG 4.26Å; F204-F207 HydrophobicContact CD2-CB 4.41Å; F204-F207 HydrophobicContact CD2-CD1 4.36Å; F204-F207 HydrophobicContact CG-CB 4.19Å; F207-G209 PolarHBondContact O-N 3.26Å; F207-R210 PolarHBondContact O-N 3.28Å; F207-Y211 HydrophobicContact CD2-CD2 4.45Å; F207-Y211 HydrophobicContact CD2-CG 4.47Å; F207-Y211 HydrophobicContact CE1-CG 4.48Å; F207-Y211 AromaticContact CE2-CD2 3.36Å; F207-Y211 HydrophobicContact CE2-CD2 3.36Å; F207-Y211 HydrophobicContact CE2-CE2 4.23Å; F207-Y211 AromaticContact CE2-CG 3.6Å; F207-Y211 HydrophobicContact CE2-CG 3.6Å; F207-Y211 HydrophobicContact CZ-CD1 4.17Å; F207-Y211 AromaticContact CZ-CD2 3.52Å; F207-Y211 HydrophobicContact CZ-CD2 3.52Å; F207-Y211 HydrophobicContact CZ-CE2 4.11Å; F207-Y211 AromaticContact CZ-CG 3.56Å; F207-Y211 HydrophobicContact CZ-CG 3.56Å; F207-Y211 WeakPolarHBondContact O-CB 3.48Å; F207-Y211 PolarHBondContact O-N 3.24Å; F207-V233 HydrophobicContact CB-CG1 3.88Å; F207-V233 HydrophobicContact CD2-CB 3.91Å; F207-V233 HydrophobicContact CD2-CG1 3.32Å; F207-V233 HydrophobicContact CD2-CG2 4.12Å; F207-V233 HydrophobicContact CE2-CG1 4.16Å; F207-V233 HydrophobicContact CG-CG1 3.89Å; F207-F234 HydrophobicContact CD1-CE2 4.23Å; F207-F234 HydrophobicContact CD2-CD2 4.3Å; F207-F234 AromaticContact CD2-CE2 3.73Å; F207-F234 HydrophobicContact CD2-CE2 3.73Å; F207-F234 AromaticContact CE1-CE2 3.88Å; F207-F234 HydrophobicContact CE1-CE2 3.88Å; F207-F234 HydrophobicContact CE1-CZ 4.41Å; F207-F234 AromaticContact CE2-CD2 3.78Å; F207-F234 HydrophobicContact CE2-CD2 3.78Å; F207-F234 AromaticContact CE2-CE2 3.31Å; F207-F234 HydrophobicContact CE2-CE2 3.31Å; F207-F234 HydrophobicContact CE2-CZ 4.39Å; F207-F234 HydrophobicContact CG-CE2 4.2Å; F207-F234 HydrophobicContact CZ-CD2 4.22Å; F207-F234 AromaticContact CZ-CE2 3.45Å; F207-F234 HydrophobicContact CZ-CE2 3.45Å; F207-F234 VanDerWaalsContact CZ-CE2 3.45Å; F207-F234 HydrophobicContact CZ-CZ 4.39Å; F207-F270 HydrophobicContact CE1-CB 3.93Å
208W83.3Confident86.3Confident8 Ų855.2 Ų55.23%0.0330%0.296CS..Hα-helixtrans-65.2-42.4-171.8-52.7137.5000111.7F197 L200 D201 G206 R212 F270 W274F197-W208 AromaticContact CE1-CD1 3.85Å; F197-W208 AromaticContact CE2-CD1 3.94Å; F197-W208 HydrophobicContact CE2-CG 4.22Å; F197-W208 HydrophobicContact CZ-CB 4.22Å; F197-W208 AromaticContact CZ-CD1 3.65Å; F197-W208 HydrophobicContact CZ-CG 4Å; F197-W208 PolarHBondContact O-NE1 3.46Å; L200-W208 HydrophobicContact CB-CZ2 3.54Å; L200-W208 HydrophobicContact CD1-CH2 4.43Å; L200-W208 HydrophobicContact CD1-CZ2 3.9Å; L200-W208 HydrophobicContact CG-CZ2 4.38Å; D201-W208 HydrophobicContact CB-CG 4.39Å; D201-W208 WeakPolarHBondContact OD1-CB 3.43Å; D201-W208 PolarHBondContact OD1-N 2.95Å; D201-W208 VanDerWaalsContact OD1-N 3.14Å; G206-W208 VanDerWaalsContact C-N 3.31Å; G206-W208 PolarHBondContact O-N 3.49Å; W208-R212 WeakPolarHBondContact O-CB 3.35Å; W208-R212 PolarHBondContact O-N 3.35Å; W208-F270 HydrophobicContact CH2-CD1 4.48Å; W208-W274 AromaticContact CD2-CD1 3.29Å; W208-W274 HydrophobicContact CD2-CG 4.16Å; W208-W274 AromaticContact CD2-NE1 3.59Å; W208-W274 AromaticContact CE2-CD1 3.95Å; W208-W274 HydrophobicContact CE3-CB 3.82Å; W208-W274 AromaticContact CE3-CD1 2.96Å; W208-W274 HydrophobicContact CE3-CD2 4.17Å; W208-W274 AromaticContact CE3-CG 3.38Å; W208-W274 HydrophobicContact CE3-CG 3.38Å; W208-W274 AromaticContact CE3-NE1 3.5Å; W208-W274 AromaticContact CG-CD1 3.86Å; W208-W274 AromaticContact CG-NE1 3.64Å; W208-W274 HydrophobicContact CH2-CB 4.02Å; W208-W274 AromaticContact CH2-CD1 4Å; W208-W274 HydrophobicContact CH2-CG 4.32Å; W208-W274 HydrophobicContact CZ3-CB 3.35Å; W208-W274 AromaticContact CZ3-CD1 3.36Å; W208-W274 AromaticContact CZ3-CG 3.48Å; W208-W274 HydrophobicContact CZ3-CG 3.48Å; W208-W274 VanDerWaalsContact CZ3-CG 3.48Å
209G84.2Confident86.2Confident30 Ų3060 Ų6031%0.30931%0.309SS..Hα-helixtrans-64-45176.500000112.2G206 F207 N213G206-G209 PolarHBondContact O-N 3.1Å; F207-G209 PolarHBondContact O-N 3.26Å; G209-N213 VanDerWaalsContact O-CG 3.3Å; G209-N213 PolarHBondContact O-N 3Å; G209-N213 PolarHBondContact O-ND2 3.04Å; G209-N213 PolarHBondContact O-OD1 3Å
210R84.2Confident86.2Confident113 Ų11361 Ų6143%0.42631%0.314SS..Hα-helixtrans-65.3-46.7178-67.2175.4-174.3-167.53.4111.3G205 G206 F207 R212 N213 A214 I229 V233G205-R210 PolarHBondContact O-NE 2.88Å; G205-R210 PolarHBondContact O-NH2 3.43Å; G206-R210 WeakPolarHBondContact O-CG 3.42Å; G206-R210 PolarHBondContact O-N 3.36Å; F207-R210 PolarHBondContact O-N 3.28Å; R210-R212 PolarHBondContact O-N 3.41Å; R210-N213 WeakPolarHBondContact O-CB 3.16Å; R210-N213 PolarHBondContact O-N 3.04Å; R210-N213 VanDerWaalsContact O-N 3.11Å; R210-A214 PolarHBondContact O-N 2.93Å; R210-I229 HydrophobicContact CB-CG2 3.97Å; R210-I229 WeakPolarHBondContact O-CG2 3.43Å; R210-V233 HydrophobicContact CB-CG2 4Å; R210-V233 HydrophobicContact CG-CG2 4.45Å
211Y84.1Confident86Confident23 Ų2362.9 Ų62.99%0.0933%0.334CS..Hα-helixtrans-65.2-37.5-178.8-163.4-106.3000112.7F207 N213 A214 L215 T230 A271 W274F207-Y211 HydrophobicContact CD2-CD2 4.45Å; F207-Y211 HydrophobicContact CD2-CG 4.47Å; F207-Y211 HydrophobicContact CE1-CG 4.48Å; F207-Y211 AromaticContact CE2-CD2 3.36Å; F207-Y211 HydrophobicContact CE2-CD2 3.36Å; F207-Y211 HydrophobicContact CE2-CE2 4.23Å; F207-Y211 AromaticContact CE2-CG 3.6Å; F207-Y211 HydrophobicContact CE2-CG 3.6Å; F207-Y211 HydrophobicContact CZ-CD1 4.17Å; F207-Y211 AromaticContact CZ-CD2 3.52Å; F207-Y211 HydrophobicContact CZ-CD2 3.52Å; F207-Y211 HydrophobicContact CZ-CE2 4.11Å; F207-Y211 AromaticContact CZ-CG 3.56Å; F207-Y211 HydrophobicContact CZ-CG 3.56Å; F207-Y211 WeakPolarHBondContact O-CB 3.48Å; F207-Y211 PolarHBondContact O-N 3.24Å; Y211-N213 VanDerWaalsContact C-N 3.32Å; Y211-N213 PolarHBondContact O-N 3.29Å; Y211-A214 WeakPolarHBondContact O-CB 3.39Å; Y211-A214 PolarHBondContact O-N 3.42Å; Y211-L215 HydrophobicContact CD1-CD1 4.01Å; Y211-L215 HydrophobicContact CD1-CG 4.34Å; Y211-L215 HydrophobicContact CE1-CD1 3.88Å; Y211-L215 HydrophobicContact CE1-CD2 4.36Å; Y211-L215 HydrophobicContact CE1-CG 4.11Å; Y211-L215 WeakPolarHBondContact O-CG 3.28Å; Y211-L215 PolarHBondContact O-N 2.9Å; Y211-T230 HydrophobicContact CD2-CG2 4.49Å; Y211-T230 HydrophobicContact CE2-CG2 4.3Å; Y211-A271 HydrophobicContact CE1-CB 3.73Å; Y211-A271 HydrophobicContact CE2-CB 4.35Å; Y211-A271 VanDerWaalsContact CZ-CB 3.49Å; Y211-A271 WeakPolarHBondContact OH-CB 3.21Å; Y211-W274 HydrophobicContact CD1-CE3 4.02Å; Y211-W274 HydrophobicContact CD1-CZ3 4.14Å; Y211-W274 HydrophobicContact CE1-CE3 4.41Å
212R87.9Confident85.8Confident143 Ų14363.6 Ų63.654%0.5434%0.338SS..Hα-helixtrans-56.5-46.9170.4-177.4-169.770.2-165.30.4111.4W208 R210 A214 L215 L216 W274W208-R212 WeakPolarHBondContact O-CB 3.35Å; W208-R212 PolarHBondContact O-N 3.35Å; R210-R212 PolarHBondContact O-N 3.41Å; R212-A214 VanDerWaalsContact C-N 3.31Å; R212-A214 PolarHBondContact O-N 3.04Å; R212-L215 PolarHBondContact O-N 2.65Å; R212-L216 PolarHBondContact O-N 3.18Å; R212-L216 VanDerWaalsContact O-N 3.16Å; R212-W274 HydrophobicContact CB-CH2 4.19Å; R212-W274 HydrophobicContact CB-CZ2 4.45Å
213N86.7Confident85.3Confident71 Ų7165.2 Ų65.238%0.3833%0.333SS..Hα-helixtrans-65.3-37.2178.4-61.9-15.2000111.1G209 R210 Y211 L215 L216 S217 I229G209-N213 VanDerWaalsContact O-CG 3.3Å; G209-N213 PolarHBondContact O-N 3Å; G209-N213 PolarHBondContact O-ND2 3.04Å; G209-N213 PolarHBondContact O-OD1 3Å; R210-N213 WeakPolarHBondContact O-CB 3.16Å; R210-N213 PolarHBondContact O-N 3.04Å; R210-N213 VanDerWaalsContact O-N 3.11Å; Y211-N213 VanDerWaalsContact C-N 3.32Å; Y211-N213 PolarHBondContact O-N 3.29Å; N213-L215 VanDerWaalsContact C-N 3.33Å; N213-L215 PolarHBondContact O-N 2.92Å; N213-L216 PolarHBondContact O-N 3.36Å; N213-S217 PolarHBondContact O-N 3.43Å; N213-S217 PolarHBondContact O-OG 3.38Å; N213-I229 HydrophobicContact CB-CD1 4.43Å
214A85.1Confident84.8Confident0 Ų067.5 Ų67.50%035%0.348CS..Hα-helixtrans-61.2-39.6174.300000112.7R210 Y211 R212 S217 L218 I229 T230R210-A214 PolarHBondContact O-N 2.93Å; Y211-A214 WeakPolarHBondContact O-CB 3.39Å; Y211-A214 PolarHBondContact O-N 3.42Å; R212-A214 VanDerWaalsContact C-N 3.31Å; R212-A214 PolarHBondContact O-N 3.04Å; A214-S217 PolarHBondContact O-N 3.36Å; A214-L218 PolarHBondContact O-N 3.24Å; A214-I229 HydrophobicContact CB-CB 3.9Å; A214-I229 HydrophobicContact CB-CD1 4.31Å; A214-I229 HydrophobicContact CB-CG2 3.77Å; A214-T230 HydrophobicContact CB-CG2 4.22Å
215L86.5Confident84.6Confident66 Ų6670.9 Ų70.935%0.34636%0.364SS..Hα-helixtrans-66.5-37.5176-72.1170.8000112.2Y211 R212 N213 L218 Y219 W274Y211-L215 HydrophobicContact CD1-CD1 4.01Å; Y211-L215 HydrophobicContact CD1-CG 4.34Å; Y211-L215 HydrophobicContact CE1-CD1 3.88Å; Y211-L215 HydrophobicContact CE1-CD2 4.36Å; Y211-L215 HydrophobicContact CE1-CG 4.11Å; Y211-L215 WeakPolarHBondContact O-CG 3.28Å; Y211-L215 PolarHBondContact O-N 2.9Å; R212-L215 PolarHBondContact O-N 2.65Å; N213-L215 VanDerWaalsContact C-N 3.33Å; N213-L215 PolarHBondContact O-N 2.92Å; L215-L218 PolarHBondContact O-N 3.04Å; L215-Y219 PolarHBondContact O-N 2.8Å; L215-W274 HydrophobicContact CD1-CH2 4.39Å; L215-W274 HydrophobicContact CD1-CZ3 3.7Å
216L88.9Confident84.7Confident96 Ų9670.9 Ų70.950%0.50335%0.351SS..Hα-helixtrans-64.4-41.8174.2-69.4170.8000111.5R212 N213 L218 Y219 N220R212-L216 PolarHBondContact O-N 3.18Å; R212-L216 VanDerWaalsContact O-N 3.16Å; N213-L216 PolarHBondContact O-N 3.36Å; L216-L218 VanDerWaalsContact C-N 3.32Å; L216-L218 PolarHBondContact O-N 2.91Å; L216-Y219 PolarHBondContact O-N 3.31Å; L216-N220 VanDerWaalsContact O-CG 3.24Å; L216-N220 PolarHBondContact O-N 3.18Å; L216-N220 PolarHBondContact O-ND2 2.96Å
217S86.4Confident84.5Confident23 Ų2372.7 Ų72.716%0.16136%0.355CS..Hα-helixtrans-60.8-41.3173.5-60.50000112.1N213 A214 N220 G221 D222N213-S217 PolarHBondContact O-N 3.43Å; N213-S217 PolarHBondContact O-OG 3.38Å; A214-S217 PolarHBondContact O-N 3.36Å; S217-N220 CarbonylContact O-C 3.56Å; S217-N220 PolarHBondContact O-N 2.97Å; S217-G221 PolarHBondContact O-N 3.33Å; S217-D222 PolarHBondContact O-N 2.84Å
218L87.4Confident84.2Confident68 Ų6874.9 Ų74.936%0.35637%0.366SS..Hα-helixtrans-64.5-41.6176.2-175.965.1000112A214 L215 L216 N220 G221 Y223 W226A214-L218 PolarHBondContact O-N 3.24Å; L215-L218 PolarHBondContact O-N 3.04Å; L216-L218 VanDerWaalsContact C-N 3.32Å; L216-L218 PolarHBondContact O-N 2.91Å; L218-N220 VanDerWaalsContact C-N 3.26Å; L218-N220 PolarHBondContact O-N 3.14Å; L218-G221 PolarHBondContact O-N 3.12Å; L218-Y223 HydrophobicContact CD1-CD1 3.88Å; L218-Y223 HydrophobicContact CD1-CE1 3.68Å; L218-W226 HydrophobicContact CB-CG 4.47Å
219Y90.1Very high84Confident201 Ų20176 Ų7679%0.78837%0.373SS*.Hα-helixtrans-60.4-37.5174.3179.4-100.4000112L215 L216 G221L215-Y219 PolarHBondContact O-N 2.8Å; L216-Y219 PolarHBondContact O-N 3.31Å; Y219-G221 PolarHBondContact O-N 3.32Å
220N90.9Very high83.7Confident125 Ų12574.7 Ų74.767%0.66836%0.359SS*.THydrogen-bonded Turntrans-770.7176-65-17000113.6L216 S217 L218 D222L216-N220 VanDerWaalsContact O-CG 3.24Å; L216-N220 PolarHBondContact O-N 3.18Å; L216-N220 PolarHBondContact O-ND2 2.96Å; S217-N220 CarbonylContact O-C 3.56Å; S217-N220 PolarHBondContact O-N 2.97Å; L218-N220 VanDerWaalsContact C-N 3.26Å; L218-N220 PolarHBondContact O-N 3.14Å; N220-D222 VanDerWaalsContact C-N 3.29Å; N220-D222 PolarHBondContact O-N 2.93Å
221G87.1Confident83.3Confident42 Ų4272.8 Ų72.843%0.43336%0.355SS..THydrogen-bonded Turntrans76.59.4-17900000114.9S217 L218 Y219 Y223S217-G221 PolarHBondContact O-N 3.33Å; L218-G221 PolarHBondContact O-N 3.12Å; Y219-G221 PolarHBondContact O-N 3.32Å; G221-Y223 WeakPolarHBondContact O-CD2 3.45Å; G221-Y223 PolarHBondContact O-N 3.4Å
222D85.7Confident82.9Confident63 Ų6374.5 Ų74.534%0.33737%0.374SS..  trans-89.283.4178.7-167.5-18.2000111.2S217 N220 N224 Q225 W226S217-D222 PolarHBondContact O-N 2.84Å; N220-D222 VanDerWaalsContact C-N 3.29Å; N220-D222 PolarHBondContact O-N 2.93Å; D222-N224 PolarHBondContact O-N 3.09Å; D222-N224 WeakPolarHBondContact OD1-CB 3.3Å; D222-N224 PolarHBondContact OD1-N 3.5Å; D222-N224 VanDerWaalsContact OD1-N 3.12Å; D222-Q225 HydrophobicContact CB-CB 4.29Å; D222-Q225 HydrophobicContact CB-CG 4.47Å; D222-Q225 VanDerWaalsContact CG-CG 3.45Å; D222-Q225 PolarHBondContact O-N 3.21Å; D222-Q225 PolarHBondContact OD1-N 3.19Å; D222-Q225 WeakPolarHBondContact OD2-CG 3.38Å; D222-W226 PolarHBondContact O-N 3.49Å; D222-W226 VanDerWaalsContact O-N 3.16Å
223Y79.5Confident82.3Confident150 Ų15068.1 Ų68.159%0.58835%0.351SS*.Hα-helixtrans-64.2-25.2177.1-63.9-79.1000113.3L218 G221 N227L218-Y223 HydrophobicContact CD1-CD1 3.88Å; L218-Y223 HydrophobicContact CD1-CE1 3.68Å; G221-Y223 WeakPolarHBondContact O-CD2 3.45Å; G221-Y223 PolarHBondContact O-N 3.4Å; Y223-N227 WeakPolarHBondContact O-CB 3.42Å; Y223-N227 PolarHBondContact O-N 3.02Å; Y223-N227 VanDerWaalsContact O-N 3.08Å; Y223-N227 PolarHBondContact O-ND2 3.37Å
224N76.9Confident82.2Confident115 Ų11564.8 Ų64.862%0.61533%0.333SS*.Hα-helixtrans-72-46.7-179.8-68.9-34.8000110.1D222 W226 N227 I228D222-N224 PolarHBondContact O-N 3.09Å; D222-N224 WeakPolarHBondContact OD1-CB 3.3Å; D222-N224 PolarHBondContact OD1-N 3.5Å; D222-N224 VanDerWaalsContact OD1-N 3.12Å; N224-W226 PolarHBondContact O-N 3.46Å; N224-N227 PolarHBondContact O-N 2.91Å; N224-I228 VanDerWaalsContact O-CG1 3.32Å; N224-I228 WeakPolarHBondContact O-CG1 3.11Å; N224-I228 PolarHBondContact O-N 3.39Å
225Q78.8Confident82Confident83 Ų8365.1 Ų65.139%0.38834%0.336SS..Hα-helixtrans-64.8-38.8175.5-70.7-62.9-3600112.3D222 N227 I228 I229D222-Q225 HydrophobicContact CB-CB 4.29Å; D222-Q225 HydrophobicContact CB-CG 4.47Å; D222-Q225 VanDerWaalsContact CG-CG 3.45Å; D222-Q225 PolarHBondContact O-N 3.21Å; D222-Q225 PolarHBondContact OD1-N 3.19Å; D222-Q225 WeakPolarHBondContact OD2-CG 3.38Å; Q225-N227 VanDerWaalsContact C-N 3.34Å; Q225-N227 PolarHBondContact O-N 3.43Å; Q225-I228 PolarHBondContact O-N 3.43Å; Q225-I229 VanDerWaalsContact O-CG1 3.3Å; Q225-I229 WeakPolarHBondContact O-CG1 3.24Å; Q225-I229 PolarHBondContact O-N 3.31Å
226W82.2Confident81.9Confident44 Ų4464.4 Ų64.417%0.16733%0.33CS..Hα-helixtrans-56.8-47.6172.8174.881.6000112L218 D222 N224 T230L218-W226 HydrophobicContact CB-CG 4.47Å; D222-W226 PolarHBondContact O-N 3.49Å; D222-W226 VanDerWaalsContact O-N 3.16Å; N224-W226 PolarHBondContact O-N 3.46Å; W226-T230 HydrophobicContact CD2-CG2 4.37Å; W226-T230 HydrophobicContact CZ2-CG2 4.1Å; W226-T230 WeakPolarHBondContact O-CB 3.33Å; W226-T230 WeakPolarHBondContact O-CG2 3.49Å; W226-T230 PolarHBondContact O-N 3.45Å; W226-T230 PolarHBondContact O-OG1 3.45Å
227N77.3Confident81.6Confident60 Ų6060.5 Ų60.532%0.32131%0.311SS..Hα-helixtrans-61.8-44.3178.1-82.5-51.6000111.9Y223 N224 Q225 T230 M231Y223-N227 WeakPolarHBondContact O-CB 3.42Å; Y223-N227 PolarHBondContact O-N 3.02Å; Y223-N227 VanDerWaalsContact O-N 3.08Å; Y223-N227 PolarHBondContact O-ND2 3.37Å; N224-N227 PolarHBondContact O-N 2.91Å; Q225-N227 VanDerWaalsContact C-N 3.34Å; Q225-N227 PolarHBondContact O-N 3.43Å; N227-T230 PolarHBondContact O-OG1 3.03Å; N227-M231 WeakPolarHBondContact O-CB 3.48Å; N227-M231 WeakPolarHBondContact O-CG 3.35Å; N227-M231 PolarHBondContact O-N 2.87Å
228I75.2Confident81.5Confident48 Ų4859.4 Ų59.425%0.24630%0.303CS..Hα-helixtrans-60.3-50.7-179.6-69.8163.7000110.9V80 N224 Q225 M231 A232V80-I228 HydrophobicContact CB-CD1 4.43Å; V80-I228 HydrophobicContact CG2-CD1 4.02Å; V80-I228 HydrophobicContact CG2-CG1 3.77Å; N224-I228 VanDerWaalsContact O-CG1 3.32Å; N224-I228 WeakPolarHBondContact O-CG1 3.11Å; N224-I228 PolarHBondContact O-N 3.39Å; Q225-I228 PolarHBondContact O-N 3.43Å; I228-M231 PolarHBondContact O-N 3.01Å; I228-A232 WeakPolarHBondContact O-CB 3.33Å; I228-A232 PolarHBondContact O-N 3.45Å
229I78Confident81.4Confident32 Ų3256.9 Ų56.916%0.16429%0.289CS..Hα-helixtrans-68.5-40.5-175.1-60.3164.2000111R210 N213 A214 Q225 A232R210-I229 HydrophobicContact CB-CG2 3.97Å; R210-I229 WeakPolarHBondContact O-CG2 3.43Å; N213-I229 HydrophobicContact CB-CD1 4.43Å; A214-I229 HydrophobicContact CB-CB 3.9Å; A214-I229 HydrophobicContact CB-CD1 4.31Å; A214-I229 HydrophobicContact CB-CG2 3.77Å; Q225-I229 VanDerWaalsContact O-CG1 3.3Å; Q225-I229 WeakPolarHBondContact O-CG1 3.24Å; Q225-I229 PolarHBondContact O-N 3.31Å; I229-A232 PolarHBondContact O-N 2.86Å
230T78.4Confident81.3Confident3 Ų347.3 Ų47.32%0.01825%0.252CS..Hα-helixtrans-69.4-38.8178.253.40000112.3Y211 A214 W226 N227 A232 V233 F234Y211-T230 HydrophobicContact CD2-CG2 4.49Å; Y211-T230 HydrophobicContact CE2-CG2 4.3Å; A214-T230 HydrophobicContact CB-CG2 4.22Å; W226-T230 HydrophobicContact CD2-CG2 4.37Å; W226-T230 HydrophobicContact CZ2-CG2 4.1Å; W226-T230 WeakPolarHBondContact O-CB 3.33Å; W226-T230 WeakPolarHBondContact O-CG2 3.49Å; W226-T230 PolarHBondContact O-N 3.45Å; W226-T230 PolarHBondContact O-OG1 3.45Å; N227-T230 PolarHBondContact O-OG1 3.03Å; T230-A232 VanDerWaalsContact C-N 3.29Å; T230-A232 PolarHBondContact O-N 3.22Å; T230-V233 PolarHBondContact O-N 3.47Å; T230-F234 CarbonylContact O-C 3.53Å; T230-F234 PolarHBondContact O-N 3.19Å
231M76.4Confident81.1Confident72 Ų7242.5 Ų42.536%0.35523%0.225SC..Hα-helixtrans-67.6-27.4175.5-71.8177.474.100113N227 I228 V233 P235N227-M231 WeakPolarHBondContact O-CB 3.48Å; N227-M231 WeakPolarHBondContact O-CG 3.35Å; N227-M231 PolarHBondContact O-N 2.87Å; I228-M231 PolarHBondContact O-N 3.01Å; M231-V233 VanDerWaalsContact C-N 3.3Å; M231-V233 PolarHBondContact O-N 3.07Å; M231-P235 VanDerWaalsContact O-CA 3.24Å; M231-P235 WeakPolarHBondContact O-CA 3.45Å; M231-P235 WeakPolarHBondContact O-CB 3.48Å; M231-P235 WeakPolarHBondContact O-CD 3.42Å
232A75.3Confident81.1Confident59 Ų5940.9 Ų40.949%0.48821%0.206SC..Hα-helixtrans-70.6-23.5175.700000113.5I228 I229 T230I228-A232 WeakPolarHBondContact O-CB 3.33Å; I228-A232 PolarHBondContact O-N 3.45Å; I229-A232 PolarHBondContact O-N 2.86Å; T230-A232 VanDerWaalsContact C-N 3.29Å; T230-A232 PolarHBondContact O-N 3.22Å
233V75.8Confident81.1Confident9 Ų944.5 Ų44.56%0.05522%0.216CC..Hα-helixtrans-104.1-45.1178.8-173.70000112.1Y109 F204 F207 R210 T230 M231 P235Y109-V233 PolarHBondContact OH-O 2.99Å; F204-V233 HydrophobicContact CB-CG1 4.49Å; F207-V233 HydrophobicContact CB-CG1 3.88Å; F207-V233 HydrophobicContact CD2-CB 3.91Å; F207-V233 HydrophobicContact CD2-CG1 3.32Å; F207-V233 HydrophobicContact CD2-CG2 4.12Å; F207-V233 HydrophobicContact CE2-CG1 4.16Å; F207-V233 HydrophobicContact CG-CG1 3.89Å; R210-V233 HydrophobicContact CB-CG2 4Å; R210-V233 HydrophobicContact CG-CG2 4.45Å; T230-V233 PolarHBondContact O-N 3.47Å; M231-V233 VanDerWaalsContact C-N 3.3Å; M231-V233 PolarHBondContact O-N 3.07Å; V233-P235 VanDerWaalsContact O-CD 3.3Å; V233-P235 WeakPolarHBondContact O-CD 3.43Å
234F84.3Confident81.3Confident1 Ų142.5 Ų42.50%0.00421%0.211CC..SBendtrans-119.973.9176.6-65.3-66.5000110.2Y109 F204 F207 T230 K236 N263 N266 E267 F270Y109-F234 HydrophobicContact CE2-CD1 4.08Å; Y109-F234 AromaticContact CE2-CE1 3.89Å; Y109-F234 HydrophobicContact CE2-CE1 3.89Å; Y109-F234 AromaticContact CZ-CD1 3.93Å; Y109-F234 VanDerWaalsContact OH-CD1 3.27Å; Y109-F234 WeakPolarHBondContact OH-CD1 3.31Å; F204-F234 AromaticContact CD1-CE1 3.93Å; F204-F234 HydrophobicContact CD1-CE1 3.93Å; F204-F234 AromaticContact CD1-CZ 3.91Å; F204-F234 HydrophobicContact CD1-CZ 3.91Å; F204-F234 AromaticContact CE1-CE1 3.75Å; F204-F234 HydrophobicContact CE1-CE1 3.75Å; F204-F234 AromaticContact CE1-CZ 3.86Å; F204-F234 HydrophobicContact CE1-CZ 3.86Å; F204-F234 HydrophobicContact CG-CZ 4.4Å; F204-F234 HydrophobicContact CZ-CE1 4.5Å; F204-F234 HydrophobicContact CZ-CZ 4.29Å; F207-F234 HydrophobicContact CD1-CE2 4.23Å; F207-F234 HydrophobicContact CD2-CD2 4.3Å; F207-F234 AromaticContact CD2-CE2 3.73Å; F207-F234 HydrophobicContact CD2-CE2 3.73Å; F207-F234 AromaticContact CE1-CE2 3.88Å; F207-F234 HydrophobicContact CE1-CE2 3.88Å; F207-F234 HydrophobicContact CE1-CZ 4.41Å; F207-F234 AromaticContact CE2-CD2 3.78Å; F207-F234 HydrophobicContact CE2-CD2 3.78Å; F207-F234 AromaticContact CE2-CE2 3.31Å; F207-F234 HydrophobicContact CE2-CE2 3.31Å; F207-F234 HydrophobicContact CE2-CZ 4.39Å; F207-F234 HydrophobicContact CG-CE2 4.2Å; F207-F234 HydrophobicContact CZ-CD2 4.22Å; F207-F234 AromaticContact CZ-CE2 3.45Å; F207-F234 HydrophobicContact CZ-CE2 3.45Å; F207-F234 VanDerWaalsContact CZ-CE2 3.45Å; F207-F234 HydrophobicContact CZ-CZ 4.39Å; T230-F234 CarbonylContact O-C 3.53Å; T230-F234 PolarHBondContact O-N 3.19Å; F234-K236 PolarHBondContact O-N 2.89Å; F234-N263 WeakPolarHBondContact CA-ND2 3.5Å; F234-N263 VanDerWaalsContact CD1-OD1 3.3Å; F234-N263 WeakPolarHBondContact CD1-OD1 3.47Å; F234-N266 HydrophobicContact CD1-CB 4.11Å; F234-N266 HydrophobicContact CE1-CB 4Å; F234-E267 HydrophobicContact CB-CB 4Å; F234-E267 HydrophobicContact CB-CG 4.32Å; F234-E267 HydrophobicContact CD2-CB 3.9Å; F234-E267 HydrophobicContact CD2-CG 3.97Å; F234-E267 HydrophobicContact CG-CB 4.05Å; F234-E267 HydrophobicContact CG-CG 4.47Å; F234-F270 HydrophobicContact CE2-CB 4.47Å; F234-F270 HydrophobicContact CZ-CB 4.19Å; F234-F270 HydrophobicContact CZ-CD2 4.19Å; F234-F270 HydrophobicContact CZ-CG 4.41Å
235P81.7Confident81.5Confident8 Ų840 Ų405%0.05221%0.212CC..  trans-60.4125.7177.722.6-32.9000111.8V74 I107 M231 V233 N263V74-P235 HydrophobicContact CG2-CB 3.77Å; V74-P235 HydrophobicContact CG2-CG 4.22Å; I107-P235 HydrophobicContact CD1-CB 4Å; I107-P235 HydrophobicContact CD1-CG 3.24Å; I107-P235 HydrophobicContact CG1-CG 3.73Å; I107-P235 HydrophobicContact CG2-CG 4.32Å; M231-P235 VanDerWaalsContact O-CA 3.24Å; M231-P235 WeakPolarHBondContact O-CA 3.45Å; M231-P235 WeakPolarHBondContact O-CB 3.48Å; M231-P235 WeakPolarHBondContact O-CD 3.42Å; V233-P235 VanDerWaalsContact O-CD 3.3Å; V233-P235 WeakPolarHBondContact O-CD 3.43Å; P235-N263 VanDerWaalsContact CD-ND2 3.3Å; P235-N263 WeakPolarHBondContact CD-ND2 3.35Å; P235-N263 WeakPolarHBondContact O-CB 3.37Å; P235-N263 PolarHBondContact O-ND2 3.08Å
236K83.4Confident81.5Confident50 Ų5037 Ų3722%0.21720%0.203CC..SBendtrans-84-7.1176.1-65.8155.9-172159.20112.3F234 L259 L260 E267F234-K236 PolarHBondContact O-N 2.89Å; K236-L259 WeakPolarHBondContact O-CA 3.47Å; K236-L260 PolarHBondContact O-N 2.9Å; K236-E267 WeakPolarHBondContact CE-OE2 3.35Å; K236-E267 IonicContact NZ-OE2 2.73Å; K236-E267 PolarHBondContact NZ-OE2 3.26Å
237C82.3Confident81.2Confident15 Ų1542 Ų4210%0.10124%0.241CC..EExtended strand (participates in β ladder)trans-147.7130.7-167.2-88.50000108.2V74 C90 C258 L259V74-C237 WeakPolarHBondContact CG2-O 3.41Å; C90-C237 HydrophobicContact CB-CB 4.17Å; C90-C237 WeakPolarHBondContact CB-SG 3.25Å; C90-C237 WeakPolarHBondContact SG-CB 3.41Å; C90-C237 CovalentContact SG-SG 2.02Å; C90-C237 PolarHBondContact SG-SG 3.42Å; C237-C258 CarbonylContact C-O 3.54Å; C237-C258 WeakPolarHBondContact CA-O 3.25Å; C237-L259 WeakPolarHBondContact SG-CD2 3.45Å
238A85.3Confident81.6Confident0 Ų044.7 Ų44.70%027%0.265CS..EExtended strand (participates in β ladder)trans-147.4160.5178.100000111A72 V74 I107 C258 L260A72-A238 HydrophobicContact CB-CB 3.45Å; A72-A238 VanDerWaalsContact CB-CB 3.45Å; V74-A238 HydrophobicContact CG2-CB 3.99Å; I107-A238 HydrophobicContact CD1-CB 3.63Å; A238-C258 PolarHBondContact N-O 2.96Å; A238-C258 PolarHBondContact O-N 2.67Å; A238-L260 HydrophobicContact CB-CD1 3.66Å
239K85.8Confident81.8Confident14 Ų1445.7 Ų45.76%0.06129%0.287CS..EExtended strand (participates in β ladder)trans-100.3139.9174.1-174.9168.6171.6-169.10110A72 Y73 P92 D93 D255A72-K239 CarbonylContact C-O 3.55Å; A72-K239 WeakPolarHBondContact CA-O 3.47Å; A72-K239 WeakPolarHBondContact CB-O 3.49Å; Y73-K239 VanDerWaalsContact CD1-O 3.29Å; Y73-K239 WeakPolarHBondContact CD1-O 3.41Å; Y73-K239 HydrophobicContact CE1-CB 4.24Å; Y73-K239 HydrophobicContact CE1-CG 4.17Å; Y73-K239 HydrophobicContact CE2-CB 4.19Å; Y73-K239 HydrophobicContact CE2-CD 4.45Å; Y73-K239 PolarHBondContact N-O 3.29Å; Y73-K239 PolarHBondContact O-N 3.48Å; Y73-K239 WeakPolarHBondContact OH-CD 3.41Å; Y73-K239 WeakPolarHBondContact OH-CE 3.47Å; P92-K239 HydrophobicContact CG-CB 4.14Å; D93-K239 WeakPolarHBondContact OD2-CD 3.33Å; D93-K239 IonicContact OD2-NZ 3.36Å; K239-D255 WeakPolarHBondContact CE-OD2 3.41Å; K239-D255 VanDerWaalsContact NZ-CG 3.34Å; K239-D255 IonicContact NZ-OD1 3.54Å; K239-D255 IonicContact NZ-OD2 3.78Å; K239-D255 PolarHBondContact NZ-OD2 3.3Å
240C87.6Confident82Confident1 Ų147.1 Ų47.11%0.00730%0.3CS..EExtended strand (participates in β ladder)trans-121.9128177174.20000108.9C67 A72 Y256C67-C240 WeakPolarHBondContact CA-SG 3.42Å; C67-C240 HydrophobicContact CB-CB 3.73Å; C67-C240 WeakPolarHBondContact CB-SG 3.4Å; C67-C240 WeakPolarHBondContact SG-CB 3.16Å; C67-C240 CovalentContact SG-SG 2.03Å; C67-C240 PolarHBondContact SG-SG 3.04Å; A72-C240 HydrophobicContact CB-CB 4.39Å; C240-Y256 PolarHBondContact N-O 2.98Å; C240-Y256 PolarHBondContact O-N 3.33Å
241E87.4Confident82.1Confident24 Ų2450.9 Ų50.911%0.11233%0.326CS..EExtended strand (participates in β ladder)trans-108.2122.7178.1-84.3-175.2-17000109.9Y73 R104 I253 D255Y73-E241 HydrophobicContact CE1-CB 4.28Å; Y73-E241 HydrophobicContact CE1-CG 3.85Å; Y73-E241 PolarHBondContact OH-OE1 3.46Å; R104-E241 IonicContact CZ-OE1 2.8Å; R104-E241 IonicContact CZ-OE2 3.43Å; R104-E241 VanDerWaalsContact NH1-CD 3.3Å; R104-E241 IonicContact NH1-OE1 2.85Å; R104-E241 IonicContact NH1-OE2 3.57Å; R104-E241 PolarHBondContact NH1-OE2 3.48Å; R104-E241 IonicContact NH2-OE1 3.65Å; R104-E241 PolarHBondContact NH2-OE1 3.25Å; R104-E241 IonicContact NH2-OE2 3.29Å; R104-E241 PolarHBondContact NH2-OE2 2.94Å; E241-I253 HydrophobicContact CB-CG2 4.49Å; E241-I253 HydrophobicContact CG-CG2 4.29Å; E241-D255 VanDerWaalsContact CG-OD1 3.31Å; E241-D255 WeakPolarHBondContact CG-OD1 3.5Å
242M86.9Confident82.4Confident7 Ų751.2 Ų51.23%0.03433%0.329CS..EExtended strand (participates in β ladder)trans-118.1123.9-179.9-172.5178.578.300110.5Y62 F66 Y254 Y256Y62-M242 HydrophobicContact CD1-SD 4.07Å; Y62-M242 HydrophobicContact CE1-CE 4.29Å; Y62-M242 HydrophobicContact CE1-SD 3.54Å; Y62-M242 VanDerWaalsContact CE1-SD 3.54Å; F66-M242 HydrophobicContact CB-SD 4.44Å; F66-M242 HydrophobicContact CD1-CB 4.1Å; F66-M242 HydrophobicContact CD1-CG 3.87Å; F66-M242 HydrophobicContact CD1-SD 4.15Å; F66-M242 HydrophobicContact CD2-CG 4.32Å; F66-M242 HydrophobicContact CD2-SD 4.39Å; F66-M242 HydrophobicContact CE1-CB 3.84Å; F66-M242 HydrophobicContact CE1-CG 3.72Å; F66-M242 HydrophobicContact CE2-CG 4.18Å; F66-M242 HydrophobicContact CG-CG 4.19Å; F66-M242 HydrophobicContact CG-SD 4.06Å; F66-M242 HydrophobicContact CZ-CB 4.38Å; F66-M242 HydrophobicContact CZ-CG 3.89Å; M242-Y254 PolarHBondContact N-O 3.49Å; M242-Y254 PolarHBondContact O-N 2.93Å; M242-Y256 HydrophobicContact CB-CD2 4.48Å; M242-Y256 HydrophobicContact CB-CE2 4.16Å; M242-Y256 HydrophobicContact CE-CE2 3.91Å; M242-Y256 HydrophobicContact SD-CE2 4.44Å
243Y84.9Confident82.8Confident140 Ų14052.9 Ų52.955%0.54933%0.329SS..EExtended strand (participates in β ladder)trans-89.4112.9174.7-64.5-94.8000109.1I253Y243-I253 HydrophobicContact CD1-CD1 4.36Å; Y243-I253 HydrophobicContact CD1-CG1 3.81Å; Y243-I253 HydrophobicContact CE1-CD1 3.62Å; Y243-I253 HydrophobicContact CE1-CG1 3.58Å
244K83.1Confident83.3Confident108 Ų10857.1 Ų57.147%0.4735%0.345SS..EExtended strand (participates in β ladder)trans-108.6121.7175-168.1173.8-177.5170.20109.4G246 N252 Y254K244-G246 PolarHBondContact O-N 2.98Å; K244-N252 PolarHBondContact N-O 3.35Å; K244-N252 PolarHBondContact O-N 3.19Å; K244-Y254 HydrophobicContact CB-CD2 3.91Å; K244-Y254 HydrophobicContact CB-CE2 3.73Å; K244-Y254 HydrophobicContact CD-CE2 4.19Å
245G80.9Confident83.3Confident62 Ų6261 Ų6164%0.63937%0.365SS*.EExtended strand (participates in β ladder)trans-70.3126.117300000110.7
246G79.9Confident83.6Confident19 Ų1962.1 Ų62.120%0.19637%0.369CS..  trans-74.9164.416900000111.8K244 S248 G249 S250K244-G246 PolarHBondContact O-N 2.98Å; G246-S248 PolarHBondContact O-N 3.14Å; G246-S248 VanDerWaalsContact O-N 3.07Å; G246-G249 PolarHBondContact O-N 2.8Å; G246-S250 PolarHBondContact N-O 2.84Å
247P76.6Confident83.7Confident151 Ų15163 Ų6398%0.98138%0.375SS*.THydrogen-bonded Turntrans-56.1-27.7178.8-22.832.4000113.7
248S84Confident84Confident116 Ų11662.2 Ų62.281%0.81137%0.37SS*.THydrogen-bonded Turntrans-895.4179.3-460000114.1G246 S250G246-S248 PolarHBondContact O-N 3.14Å; G246-S248 VanDerWaalsContact O-N 3.07Å; S248-S250 VanDerWaalsContact C-N 3.29Å; S248-S250 PolarHBondContact O-N 3.35Å
249G79.4Confident84Confident69 Ų6966.3 Ų66.371%0.71139%0.392SS*.SBendtrans80.9-1.2-176.800000115.3G246G246-G249 PolarHBondContact O-N 2.8Å
250S83.2Confident84.1Confident62 Ų6266 Ų6643%0.43439%0.391SS..  trans-71.2127.9172.1580000110.7G246 S248G246-S250 PolarHBondContact N-O 2.84Å; S248-S250 VanDerWaalsContact C-N 3.29Å; S248-S250 PolarHBondContact O-N 3.35Å
251S80.8Confident84Confident81 Ų8167.7 Ų67.757%0.56640%0.402SS*.EExtended strand (participates in β ladder)trans-83124.3175.257.90000111.2
252N82.9Confident84Confident80 Ų8066.8 Ų66.843%0.42840%0.398SS..EExtended strand (participates in β ladder)trans-104.6136.7168.6-69-34.2000109.6K244 Y254K244-N252 PolarHBondContact N-O 3.35Å; K244-N252 PolarHBondContact O-N 3.19Å; N252-Y254 HydrophobicContact CB-CD2 4.48Å; N252-Y254 HydrophobicContact CB-CE2 3.77Å
253I83.6Confident84Confident93 Ų9366.5 Ų66.548%0.47740%0.396SS..EExtended strand (participates in β ladder)trans-95.9127178-52.8177.8000108.2E241 Y243E241-I253 HydrophobicContact CB-CG2 4.49Å; E241-I253 HydrophobicContact CG-CG2 4.29Å; Y243-I253 HydrophobicContact CD1-CD1 4.36Å; Y243-I253 HydrophobicContact CD1-CG1 3.81Å; Y243-I253 HydrophobicContact CE1-CD1 3.62Å; Y243-I253 HydrophobicContact CE1-CG1 3.58Å
254Y85.1Confident84.1Confident98 Ų9864 Ų6438%0.38439%0.392SS..EExtended strand (participates in β ladder)trans-113.2125.9175.1-68-90.9000109.8M242 K244 N252M242-Y254 PolarHBondContact N-O 3.49Å; M242-Y254 PolarHBondContact O-N 2.93Å; K244-Y254 HydrophobicContact CB-CD2 3.91Å; K244-Y254 HydrophobicContact CB-CE2 3.73Å; K244-Y254 HydrophobicContact CD-CE2 4.19Å; N252-Y254 HydrophobicContact CB-CD2 4.48Å; N252-Y254 HydrophobicContact CB-CE2 3.77Å
255D85.3Confident84.4Confident83 Ų8361.8 Ų61.844%0.44438%0.384SS..EExtended strand (participates in β ladder)trans-100.8119.7-179.2-73.4-7.5000110.1K239 E241K239-D255 WeakPolarHBondContact CE-OD2 3.41Å; K239-D255 VanDerWaalsContact NZ-CG 3.34Å; K239-D255 IonicContact NZ-OD1 3.54Å; K239-D255 IonicContact NZ-OD2 3.78Å; K239-D255 PolarHBondContact NZ-OD2 3.3Å; E241-D255 VanDerWaalsContact CG-OD1 3.31Å; E241-D255 WeakPolarHBondContact CG-OD1 3.5Å
256Y87.2Confident84.8Confident32 Ų3258.9 Ų58.913%0.12535%0.354CS..EExtended strand (participates in β ladder)trans-114.4132.5176.6-62.4-83.3000110.8V63 C240 M242V63-Y256 HydrophobicContact CB-CE1 4.45Å; V63-Y256 HydrophobicContact CG1-CD1 3.61Å; V63-Y256 HydrophobicContact CG1-CD2 3.72Å; V63-Y256 HydrophobicContact CG1-CE1 3.85Å; V63-Y256 HydrophobicContact CG1-CE2 3.96Å; V63-Y256 HydrophobicContact CG1-CG 3.52Å; V63-Y256 HydrophobicContact CG2-CD1 4.4Å; V63-Y256 HydrophobicContact CG2-CE1 3.77Å; V63-Y256 HydrophobicContact CG2-CE2 3.99Å; C240-Y256 PolarHBondContact N-O 2.98Å; C240-Y256 PolarHBondContact O-N 3.33Å; M242-Y256 HydrophobicContact CB-CD2 4.48Å; M242-Y256 HydrophobicContact CB-CE2 4.16Å; M242-Y256 HydrophobicContact CE-CE2 3.91Å; M242-Y256 HydrophobicContact SD-CE2 4.44Å
257L86.3Confident85.2Confident67 Ų6758 Ų5835%0.35135%0.345SS..EExtended strand (participates in β ladder)trans-88.3124.6170.3-176.865.7000109C54 F55 C90 P92C54-L257 CarbonylContact C-O 3.29Å; C54-L257 VanDerWaalsContact CA-O 3.31Å; C54-L257 WeakPolarHBondContact CA-O 3.38Å; F55-L257 PolarHBondContact N-O 2.89Å; C90-L257 HydrophobicContact CB-CD2 4.27Å; P92-L257 HydrophobicContact CG-CD1 3.61Å
258C87.4Confident85.8Confident0 Ų055.5 Ų55.50%032%0.319CS..EExtended strand (participates in β ladder)trans-123.7137.2-176.2-52.20000112.5I52 Q53 C54 C237 A238 L260I52-C258 HydrophobicContact CD1-CB 3.73Å; I52-C258 HydrophobicContact CG1-CB 3.69Å; Q53-C258 CarbonylContact O-C 3.51Å; Q53-C258 WeakPolarHBondContact O-CA 3.49Å; C54-C258 HydrophobicContact CB-CB 4.08Å; C54-C258 WeakPolarHBondContact CB-SG 3.29Å; C54-C258 WeakPolarHBondContact SG-CB 3.38Å; C54-C258 CovalentContact SG-SG 2.05Å; C54-C258 PolarHBondContact SG-SG 3.43Å; C237-C258 CarbonylContact C-O 3.54Å; C237-C258 WeakPolarHBondContact CA-O 3.25Å; A238-C258 PolarHBondContact N-O 2.96Å; A238-C258 PolarHBondContact O-N 2.67Å; C258-L260 WeakPolarHBondContact O-CD1 3.45Å
259L86.9Confident86.2Confident85 Ų8550.8 Ų50.845%0.44528%0.284SS..EExtended strand (participates in β ladder)trans-89.8141.4167.8-61.6-179.8000109.6I52 Q53 K236 C237 P261I52-L259 WeakPolarHBondContact CA-O 3.43Å; Q53-L259 PolarHBondContact N-O 3.33Å; Q53-L259 PolarHBondContact O-N 2.85Å; K236-L259 WeakPolarHBondContact O-CA 3.47Å; C237-L259 WeakPolarHBondContact SG-CD2 3.45Å; L259-P261 VanDerWaalsContact C-CD 3.46Å; L259-P261 VanDerWaalsContact O-CD 3.28Å; L259-P261 WeakPolarHBondContact O-CD 3.39Å
260L87.3Confident86.8Confident7 Ų747.5 Ų47.54%0.03725%0.251CS..  trans-118.578.2-179.2-72.679.2000110.5I52 I107 Y110 K236 A238 C258 L262 N263I52-L260 HydrophobicContact CG1-CG 4.44Å; I107-L260 HydrophobicContact CD1-CD2 4.46Å; I107-L260 HydrophobicContact CG2-CD2 4.46Å; Y110-L260 HydrophobicContact CD1-CD2 4.28Å; Y110-L260 HydrophobicContact CE1-CD2 3.92Å; K236-L260 PolarHBondContact O-N 2.9Å; A238-L260 HydrophobicContact CB-CD1 3.66Å; C258-L260 WeakPolarHBondContact O-CD1 3.45Å; L260-L262 PolarHBondContact O-N 3.37Å; L260-N263 HydrophobicContact CB-CB 4.13Å; L260-N263 WeakPolarHBondContact O-CB 3.47Å; L260-N263 PolarHBondContact O-N 3.16Å
261P85.9Confident87.1Confident38 Ų3845.1 Ų45.125%0.24723%0.234CC..Hα-helixtrans-59.8-26.4176.7-2333.3000113.5L259 N263 I264L259-P261 VanDerWaalsContact C-CD 3.46Å; L259-P261 VanDerWaalsContact O-CD 3.28Å; L259-P261 WeakPolarHBondContact O-CD 3.39Å; P261-N263 PolarHBondContact O-N 2.79Å; P261-I264 WeakPolarHBondContact O-CG2 3.31Å; P261-I264 PolarHBondContact O-N 3.01Å
262L86.8Confident87.7Confident4 Ų446.4 Ų46.42%0.02123%0.23CC..Hα-helixtrans-62.2-31176-171.463.6000111.6L42 K45 P51 W68 L260 L265 N266L42-L262 HydrophobicContact CD2-CD1 4.18Å; K45-L262 HydrophobicContact CB-CD1 4.07Å; K45-L262 HydrophobicContact CG-CD1 3.93Å; P51-L262 HydrophobicContact CB-CD2 4.37Å; W68-L262 HydrophobicContact CH2-CD2 3.59Å; W68-L262 HydrophobicContact CZ3-CD2 4.05Å; L260-L262 PolarHBondContact O-N 3.37Å; L262-L265 PolarHBondContact O-N 3.33Å; L262-N266 PolarHBondContact O-N 2.78Å
263N87.4Confident88.2Confident1 Ų142.6 Ų42.61%0.00521%0.209CC..Hα-helixtrans-77.3-27.5-174.2-131.418.9000113.9Y109 F234 P235 L260 P261 L265 N266 E267Y109-N263 PolarHBondContact OH-ND2 3.47Å; Y109-N263 PolarHBondContact OH-OD1 3.32Å; F234-N263 WeakPolarHBondContact CA-ND2 3.5Å; F234-N263 VanDerWaalsContact CD1-OD1 3.3Å; F234-N263 WeakPolarHBondContact CD1-OD1 3.47Å; P235-N263 VanDerWaalsContact CD-ND2 3.3Å; P235-N263 WeakPolarHBondContact CD-ND2 3.35Å; P235-N263 WeakPolarHBondContact O-CB 3.37Å; P235-N263 PolarHBondContact O-ND2 3.08Å; L260-N263 HydrophobicContact CB-CB 4.13Å; L260-N263 WeakPolarHBondContact O-CB 3.47Å; L260-N263 PolarHBondContact O-N 3.16Å; P261-N263 PolarHBondContact O-N 2.79Å; N263-L265 VanDerWaalsContact C-N 3.25Å; N263-L265 PolarHBondContact O-N 3.39Å; N263-N266 PolarHBondContact O-N 3.14Å; N263-E267 WeakPolarHBondContact O-CB 3.49Å; N263-E267 PolarHBondContact O-N 3.34Å
264I86.8Confident88.6Confident89 Ų8939.7 Ų39.746%0.45619%0.193SC..Hα-helixtrans-64.6-35.9171-172.2163.6000110.8P261 K268P261-I264 WeakPolarHBondContact O-CG2 3.31Å; P261-I264 PolarHBondContact O-N 3.01Å; I264-K268 WeakPolarHBondContact O-CG 3.34Å; I264-K268 PolarHBondContact O-N 3Å
265L89.1Confident88.9Confident60 Ų6040.1 Ų40.131%0.31420%0.2SC..Hα-helixtrans-71.7-44.3177.4-173.558.5000110.9L42 K45 L262 N263 E267 K268 I269L42-L265 HydrophobicContact CD2-CB 4.29Å; L42-L265 HydrophobicContact CD2-CD2 3.68Å; L42-L265 HydrophobicContact CD2-CG 3.73Å; K45-L265 HydrophobicContact CB-CD2 4.33Å; L262-L265 PolarHBondContact O-N 3.33Å; N263-L265 VanDerWaalsContact C-N 3.25Å; N263-L265 PolarHBondContact O-N 3.39Å; L265-E267 PolarHBondContact O-N 2.86Å; L265-K268 PolarHBondContact O-N 3.48Å; L265-I269 HydrophobicContact CD1-CD1 3.94Å; L265-I269 HydrophobicContact CD1-CG1 4.27Å; L265-I269 HydrophobicContact CD2-CD1 4.5Å; L265-I269 HydrophobicContact CG-CD1 3.79Å; L265-I269 HydrophobicContact CG-CG1 4.47Å; L265-I269 WeakPolarHBondContact O-CB 3.28Å; L265-I269 WeakPolarHBondContact O-CG1 3.37Å; L265-I269 PolarHBondContact O-N 3.21Å
266N89.8Confident89.4Confident1 Ų138.5 Ų38.51%0.00519%0.188CC..Hα-helixtrans-56.8-48.2173.8-71.6-21000111.7L42 F234 L262 N263 K268 I269 F270L42-N266 WeakPolarHBondContact CD1-OD1 3.35Å; L42-N266 WeakPolarHBondContact CD2-OD1 3.44Å; F234-N266 HydrophobicContact CD1-CB 4.11Å; F234-N266 HydrophobicContact CE1-CB 4Å; L262-N266 PolarHBondContact O-N 2.78Å; N263-N266 PolarHBondContact O-N 3.14Å; N266-K268 VanDerWaalsContact C-N 3.28Å; N266-K268 PolarHBondContact O-N 3.33Å; N266-I269 PolarHBondContact O-N 3.01Å; N266-F270 HydrophobicContact CB-CD2 4.31Å; N266-F270 WeakPolarHBondContact O-CB 3.24Å; N266-F270 VanDerWaalsContact O-CD2 3.31Å; N266-F270 WeakPolarHBondContact O-CD2 3.37Å; N266-F270 PolarHBondContact O-N 3.42Å
267E88.2Confident89.8Confident0 Ų037.3 Ų37.30%018%0.183CC..Hα-helixtrans-51.9-47.1178.5-171.1-159.1128.100111.2F234 K236 N263 L265 A271F234-E267 HydrophobicContact CB-CB 4Å; F234-E267 HydrophobicContact CB-CG 4.32Å; F234-E267 HydrophobicContact CD2-CB 3.9Å; F234-E267 HydrophobicContact CD2-CG 3.97Å; F234-E267 HydrophobicContact CG-CB 4.05Å; F234-E267 HydrophobicContact CG-CG 4.47Å; K236-E267 WeakPolarHBondContact CE-OE2 3.35Å; K236-E267 IonicContact NZ-OE2 2.73Å; K236-E267 PolarHBondContact NZ-OE2 3.26Å; N263-E267 WeakPolarHBondContact O-CB 3.49Å; N263-E267 PolarHBondContact O-N 3.34Å; L265-E267 PolarHBondContact O-N 2.86Å; E267-A271 WeakPolarHBondContact O-CB 3.35Å; E267-A271 PolarHBondContact O-N 2.9Å
268K89.6Confident90.1Very high100 Ų10037.3 Ų37.344%0.43518%0.183SC..Hα-helixtrans-75.3-39.6-177.7-58.6-43.9179.7-167.30113.2I264 L265 N266 F272I264-K268 WeakPolarHBondContact O-CG 3.34Å; I264-K268 PolarHBondContact O-N 3Å; L265-K268 PolarHBondContact O-N 3.48Å; N266-K268 VanDerWaalsContact C-N 3.28Å; N266-K268 PolarHBondContact O-N 3.33Å; K268-F272 PolarHBondContact O-N 3.11Å; K268-F272 VanDerWaalsContact O-N 3.12Å
269I92.3Very high90.5Very high16 Ų1640.9 Ų40.98%0.08220%0.202CC..Hα-helixtrans-63.6-48.9177.4-72.5175.3000110.3C38 L42 L265 N266 A271 F272 L273C38-I269 HydrophobicContact CB-CG2 4.02Å; L42-I269 HydrophobicContact CD1-CD1 4.12Å; L42-I269 HydrophobicContact CD2-CD1 3.75Å; L42-I269 HydrophobicContact CG-CD1 3.69Å; L265-I269 HydrophobicContact CD1-CD1 3.94Å; L265-I269 HydrophobicContact CD1-CG1 4.27Å; L265-I269 HydrophobicContact CD2-CD1 4.5Å; L265-I269 HydrophobicContact CG-CD1 3.79Å; L265-I269 HydrophobicContact CG-CG1 4.47Å; L265-I269 WeakPolarHBondContact O-CB 3.28Å; L265-I269 WeakPolarHBondContact O-CG1 3.37Å; L265-I269 PolarHBondContact O-N 3.21Å; N266-I269 PolarHBondContact O-N 3.01Å; I269-A271 PolarHBondContact O-N 3.09Å; I269-F272 WeakPolarHBondContact O-CB 3.3Å; I269-F272 PolarHBondContact O-N 3.14Å; I269-L273 HydrophobicContact CG2-CD1 3.73Å; I269-L273 HydrophobicContact CG2-CG 4.22Å; I269-L273 WeakPolarHBondContact O-CG 3.5Å; I269-L273 PolarHBondContact O-N 2.76Å
270F91.8Very high90.9Very high1 Ų136.9 Ų36.90%0.00418%0.181CC..Hα-helixtrans-71.3-30.6-178.7-77.6-73.7000112.9V113 L117 L200 F204 F207 W208 F234 N266 F272 L273 W274V113-F270 HydrophobicContact CG1-CE2 3.6Å; V113-F270 HydrophobicContact CG1-CZ 3.82Å; V113-F270 HydrophobicContact CG2-CE2 4.39Å; L117-F270 HydrophobicContact CD1-CZ 4.21Å; L117-F270 HydrophobicContact CD2-CE1 3.94Å; L117-F270 HydrophobicContact CD2-CZ 3.87Å; L117-F270 HydrophobicContact CG-CZ 4.11Å; L200-F270 HydrophobicContact CD2-CE1 4.34Å; F204-F270 HydrophobicContact CE1-CD2 4.42Å; F204-F270 HydrophobicContact CE1-CE2 4.32Å; F204-F270 AromaticContact CE2-CD1 3.53Å; F204-F270 HydrophobicContact CE2-CD1 3.53Å; F204-F270 HydrophobicContact CE2-CD2 4.22Å; F204-F270 AromaticContact CE2-CE1 3.55Å; F204-F270 HydrophobicContact CE2-CE1 3.55Å; F204-F270 HydrophobicContact CE2-CE2 4.25Å; F204-F270 AromaticContact CE2-CG 3.89Å; F204-F270 HydrophobicContact CE2-CG 3.89Å; F204-F270 AromaticContact CE2-CZ 3.94Å; F204-F270 HydrophobicContact CE2-CZ 3.94Å; F204-F270 AromaticContact CZ-CD1 3.79Å; F204-F270 HydrophobicContact CZ-CD1 3.79Å; F204-F270 AromaticContact CZ-CD2 3.68Å; F204-F270 HydrophobicContact CZ-CD2 3.68Å; F204-F270 AromaticContact CZ-CE1 3.58Å; F204-F270 HydrophobicContact CZ-CE1 3.58Å; F204-F270 AromaticContact CZ-CE2 3.49Å; F204-F270 HydrophobicContact CZ-CE2 3.49Å; F204-F270 VanDerWaalsContact CZ-CE2 3.49Å; F204-F270 AromaticContact CZ-CG 3.84Å; F204-F270 HydrophobicContact CZ-CG 3.84Å; F204-F270 AromaticContact CZ-CZ 3.45Å; F204-F270 HydrophobicContact CZ-CZ 3.45Å; F204-F270 VanDerWaalsContact CZ-CZ 3.45Å; F207-F270 HydrophobicContact CE1-CB 3.93Å; W208-F270 HydrophobicContact CH2-CD1 4.48Å; F234-F270 HydrophobicContact CE2-CB 4.47Å; F234-F270 HydrophobicContact CZ-CB 4.19Å; F234-F270 HydrophobicContact CZ-CD2 4.19Å; F234-F270 HydrophobicContact CZ-CG 4.41Å; N266-F270 HydrophobicContact CB-CD2 4.31Å; N266-F270 WeakPolarHBondContact O-CB 3.24Å; N266-F270 VanDerWaalsContact O-CD2 3.31Å; N266-F270 WeakPolarHBondContact O-CD2 3.37Å; N266-F270 PolarHBondContact O-N 3.42Å; F270-F272 VanDerWaalsContact C-N 3.32Å; F270-F272 PolarHBondContact O-N 3.15Å; F270-L273 HydrophobicContact CD1-CD1 4.18Å; F270-L273 HydrophobicContact CE1-CD1 4.16Å; F270-L273 PolarHBondContact O-N 2.86Å; F270-W274 VanDerWaalsContact O-CB 3.29Å; F270-W274 WeakPolarHBondContact O-CB 3.23Å; F270-W274 PolarHBondContact O-N 2.97Å
271A89.6Confident91.2Very high11 Ų1137.6 Ų37.69%0.09119%0.188CC..Hα-helixtrans-60-42.716900000112.4Y211 E267 I269Y211-A271 HydrophobicContact CE1-CB 3.73Å; Y211-A271 HydrophobicContact CE2-CB 4.35Å; Y211-A271 VanDerWaalsContact CZ-CB 3.49Å; Y211-A271 WeakPolarHBondContact OH-CB 3.21Å; E267-A271 WeakPolarHBondContact O-CB 3.35Å; E267-A271 PolarHBondContact O-N 2.9Å; I269-A271 PolarHBondContact O-N 3.09Å
272F92.9Very high91.7Very high108 Ų10841.8 Ų41.847%0.47421%0.206SC..Hα-helixtrans-67.9-47.7175.7175.2-96.5000112L34 K268 I269 F270 W274 I275 W276L34-F272 HydrophobicContact CD1-CD1 4.38Å; L34-F272 HydrophobicContact CD1-CE1 3.59Å; L34-F272 HydrophobicContact CD1-CZ 4.44Å; L34-F272 HydrophobicContact CD2-CD1 4.48Å; L34-F272 HydrophobicContact CD2-CE1 3.69Å; L34-F272 HydrophobicContact CG-CE1 4.21Å; K268-F272 PolarHBondContact O-N 3.11Å; K268-F272 VanDerWaalsContact O-N 3.12Å; I269-F272 WeakPolarHBondContact O-CB 3.3Å; I269-F272 PolarHBondContact O-N 3.14Å; F270-F272 VanDerWaalsContact C-N 3.32Å; F270-F272 PolarHBondContact O-N 3.15Å; F272-W274 VanDerWaalsContact C-N 3.26Å; F272-W274 PolarHBondContact O-N 3.42Å; F272-I275 PolarHBondContact O-N 3.31Å; F272-W276 PolarHBondContact O-N 2.89Å; F272-W276 VanDerWaalsContact O-N 3.11Å
273L93.9Very high92.2Very high0 Ų044.1 Ų44.10%022%0.218CC..Hα-helixtrans-62.1-33.7179.2-71.8176000112.3L34 L35 L117 I269 F270 W276 F277L34-L273 HydrophobicContact CD2-CD2 3.76Å; L34-L273 HydrophobicContact CG-CD2 4.02Å; L35-L273 HydrophobicContact CD2-CD1 4.42Å; L35-L273 HydrophobicContact CD2-CD2 4.31Å; L117-L273 HydrophobicContact CD2-CD1 3.73Å; I269-L273 HydrophobicContact CG2-CD1 3.73Å; I269-L273 HydrophobicContact CG2-CG 4.22Å; I269-L273 WeakPolarHBondContact O-CG 3.5Å; I269-L273 PolarHBondContact O-N 2.76Å; F270-L273 HydrophobicContact CD1-CD1 4.18Å; F270-L273 HydrophobicContact CE1-CD1 4.16Å; F270-L273 PolarHBondContact O-N 2.86Å; L273-W276 WeakPolarHBondContact O-CB 3.19Å; L273-W276 PolarHBondContact O-N 3.18Å; L273-F277 HydrophobicContact CB-CD2 4.2Å; L273-F277 HydrophobicContact CB-CE2 3.85Å; L273-F277 HydrophobicContact CB-CZ 4.45Å; L273-F277 HydrophobicContact CD2-CZ 4.46Å; L273-F277 WeakPolarHBondContact O-CB 3.37Å; L273-F277 WeakPolarHBondContact O-CD2 2.87Å; L273-F277 VanDerWaalsContact O-CG 3.24Å; L273-F277 WeakPolarHBondContact O-CG 3.22Å; L273-F277 PolarHBondContact O-N 2.96Å
274W91.3Very high92.6Very high33 Ų3344.5 Ų44.513%0.12522%0.22CC..Hα-helixtrans-56.3-53.1175.6-174.147.1000112.7F197 W208 Y211 R212 L215 F270 F272 W276 F277 I278F197-W274 AromaticContact CE2-CD1 3.82Å; F197-W274 AromaticContact CE2-NE1 3.64Å; F197-W274 AromaticContact CZ-NE1 3.98Å; W208-W274 AromaticContact CD2-CD1 3.29Å; W208-W274 HydrophobicContact CD2-CG 4.16Å; W208-W274 AromaticContact CD2-NE1 3.59Å; W208-W274 AromaticContact CE2-CD1 3.95Å; W208-W274 HydrophobicContact CE3-CB 3.82Å; W208-W274 AromaticContact CE3-CD1 2.96Å; W208-W274 HydrophobicContact CE3-CD2 4.17Å; W208-W274 AromaticContact CE3-CG 3.38Å; W208-W274 HydrophobicContact CE3-CG 3.38Å; W208-W274 AromaticContact CE3-NE1 3.5Å; W208-W274 AromaticContact CG-CD1 3.86Å; W208-W274 AromaticContact CG-NE1 3.64Å; W208-W274 HydrophobicContact CH2-CB 4.02Å; W208-W274 AromaticContact CH2-CD1 4Å; W208-W274 HydrophobicContact CH2-CG 4.32Å; W208-W274 HydrophobicContact CZ3-CB 3.35Å; W208-W274 AromaticContact CZ3-CD1 3.36Å; W208-W274 AromaticContact CZ3-CG 3.48Å; W208-W274 HydrophobicContact CZ3-CG 3.48Å; W208-W274 VanDerWaalsContact CZ3-CG 3.48Å; Y211-W274 HydrophobicContact CD1-CE3 4.02Å; Y211-W274 HydrophobicContact CD1-CZ3 4.14Å; Y211-W274 HydrophobicContact CE1-CE3 4.41Å; R212-W274 HydrophobicContact CB-CH2 4.19Å; R212-W274 HydrophobicContact CB-CZ2 4.45Å; L215-W274 HydrophobicContact CD1-CH2 4.39Å; L215-W274 HydrophobicContact CD1-CZ3 3.7Å; F270-W274 VanDerWaalsContact O-CB 3.29Å; F270-W274 WeakPolarHBondContact O-CB 3.23Å; F270-W274 PolarHBondContact O-N 2.97Å; F272-W274 VanDerWaalsContact C-N 3.26Å; F272-W274 PolarHBondContact O-N 3.42Å; W274-W276 VanDerWaalsContact C-N 3.26Å; W274-W276 PolarHBondContact O-N 2.91Å; W274-F277 PolarHBondContact O-N 3.12Å; W274-I278 HydrophobicContact CD2-CD1 4.02Å; W274-I278 HydrophobicContact CG-CD1 4.3Å; W274-I278 HydrophobicContact CZ2-CD1 3.87Å; W274-I278 WeakPolarHBondContact O-CG1 3.27Å; W274-I278 PolarHBondContact O-N 3.13Å
275I91.9Very high93Very high107 Ų10742.4 Ų42.455%0.54921%0.213SC..Hα-helixtrans-62.5-41.7179.7-61.6171.6000109.1F272 I278 L279F272-I275 PolarHBondContact O-N 3.31Å; I275-I278 PolarHBondContact O-N 2.98Å; I275-L279 WeakPolarHBondContact O-CB 3.48Å; I275-L279 PolarHBondContact O-N 2.97Å
276W95.4Very high93.3Very high49 Ų4944.7 Ų44.719%0.18623%0.225CC..Hα-helixtrans-60.4-49.3176.9-175.9-95.8000112.5L26 V30 T31 L34 F272 L273 W274 I278 L279 V280L26-W276 HydrophobicContact CD1-CH2 3.62Å; L26-W276 HydrophobicContact CD1-CZ2 3.81Å; L26-W276 HydrophobicContact CG-CH2 4.41Å; L26-W276 HydrophobicContact CG-CZ2 4.2Å; V30-W276 HydrophobicContact CB-CZ2 4.19Å; V30-W276 HydrophobicContact CG1-CH2 3.64Å; V30-W276 HydrophobicContact CG1-CZ2 3.61Å; T31-W276 PolarHBondContact OG1-NE1 3.31Å; L34-W276 HydrophobicContact CD2-CB 4.41Å; L34-W276 HydrophobicContact CD2-CD2 3.82Å; L34-W276 HydrophobicContact CD2-CG 3.72Å; F272-W276 PolarHBondContact O-N 2.89Å; F272-W276 VanDerWaalsContact O-N 3.11Å; L273-W276 WeakPolarHBondContact O-CB 3.19Å; L273-W276 PolarHBondContact O-N 3.18Å; W274-W276 VanDerWaalsContact C-N 3.26Å; W274-W276 PolarHBondContact O-N 2.91Å; W276-I278 PolarHBondContact O-N 2.94Å; W276-L279 PolarHBondContact O-N 2.97Å; W276-V280 HydrophobicContact CD2-CG2 4.37Å; W276-V280 HydrophobicContact CG-CG2 4.46Å; W276-V280 HydrophobicContact CZ2-CG2 4.24Å; W276-V280 WeakPolarHBondContact O-CB 3.21Å; W276-V280 WeakPolarHBondContact O-CG2 3.3Å; W276-V280 PolarHBondContact O-N 3.37Å
277F94.7Very high93.5Very high6 Ų646.3 Ų46.33%0.02623%0.232CC..Hα-helixtrans-65.2-38.4-179.5-67.9-42.4000112.3T31 L35 F124 N196 L200 L273 W274 V280 A281T31-F277 HydrophobicContact CG2-CD1 4.46Å; T31-F277 HydrophobicContact CG2-CE1 3.94Å; L35-F277 HydrophobicContact CD2-CZ 4Å; F124-F277 HydrophobicContact CE2-CE1 4.08Å; F124-F277 HydrophobicContact CZ-CD1 4.11Å; F124-F277 AromaticContact CZ-CE1 3.85Å; F124-F277 HydrophobicContact CZ-CE1 3.85Å; N196-F277 WeakPolarHBondContact ND2-CE1 3.44Å; N196-F277 WeakPolarHBondContact ND2-CE2 3.43Å; N196-F277 VanDerWaalsContact ND2-CZ 3.33Å; N196-F277 WeakPolarHBondContact ND2-CZ 3.37Å; L200-F277 HydrophobicContact CD1-CD2 4.08Å; L200-F277 HydrophobicContact CD1-CE2 3.49Å; L200-F277 VanDerWaalsContact CD1-CE2 3.49Å; L200-F277 HydrophobicContact CD1-CZ 4.3Å; L273-F277 HydrophobicContact CB-CD2 4.2Å; L273-F277 HydrophobicContact CB-CE2 3.85Å; L273-F277 HydrophobicContact CB-CZ 4.45Å; L273-F277 HydrophobicContact CD2-CZ 4.46Å; L273-F277 WeakPolarHBondContact O-CB 3.37Å; L273-F277 WeakPolarHBondContact O-CD2 2.87Å; L273-F277 VanDerWaalsContact O-CG 3.24Å; L273-F277 WeakPolarHBondContact O-CG 3.22Å; L273-F277 PolarHBondContact O-N 2.96Å; W274-F277 PolarHBondContact O-N 3.12Å; F277-V280 PolarHBondContact O-N 3.09Å; F277-A281 WeakPolarHBondContact O-CB 3.49Å; F277-A281 PolarHBondContact O-N 3.28Å
278I93.4Very high93.8Very high67 Ų6749.3 Ų49.334%0.34425%0.246SC..Hα-helixtrans-60.9-47.2172.6-70170.4000110.4F197 W274 I275 W276 A281 M282F197-I278 HydrophobicContact CD2-CG1 4.48Å; F197-I278 HydrophobicContact CE2-CD1 4.28Å; F197-I278 HydrophobicContact CE2-CG1 3.88Å; W274-I278 HydrophobicContact CD2-CD1 4.02Å; W274-I278 HydrophobicContact CG-CD1 4.3Å; W274-I278 HydrophobicContact CZ2-CD1 3.87Å; W274-I278 WeakPolarHBondContact O-CG1 3.27Å; W274-I278 PolarHBondContact O-N 3.13Å; I275-I278 PolarHBondContact O-N 2.98Å; W276-I278 PolarHBondContact O-N 2.94Å; I278-A281 PolarHBondContact O-N 3.28Å; I278-M282 WeakPolarHBondContact O-CB 3.3Å; I278-M282 PolarHBondContact O-N 3.49Å
279L95Very high94Very high75 Ų7549.6 Ų49.639%0.39325%0.251SS..Hα-helixtrans-61.4-46.1178.9177.6145.5000111.5L26 I275 W276 M282 L283L26-L279 HydrophobicContact CD2-CD2 4.11Å; I275-L279 WeakPolarHBondContact O-CB 3.48Å; I275-L279 PolarHBondContact O-N 2.97Å; W276-L279 PolarHBondContact O-N 2.97Å; L279-M282 PolarHBondContact O-N 3.27Å; L279-L283 HydrophobicContact CD2-CD1 3.64Å; L279-L283 HydrophobicContact CG-CD1 4.25Å; L279-L283 WeakPolarHBondContact O-CG 3.39Å; L279-L283 PolarHBondContact O-N 3.43Å
280V95.5Very high94.1Very high2 Ų252.5 Ų52.51%0.01226%0.262CS..Hα-helixtrans-64.5-45.5179170.30000111L26 H27 W276 F277 M282 L283 I284L26-V280 HydrophobicContact CD2-CG2 4.34Å; L26-V280 HydrophobicContact CG-CG2 4.47Å; H27-V280 HydrophobicContact CB-CG1 4.27Å; W276-V280 HydrophobicContact CD2-CG2 4.37Å; W276-V280 HydrophobicContact CG-CG2 4.46Å; W276-V280 HydrophobicContact CZ2-CG2 4.24Å; W276-V280 WeakPolarHBondContact O-CB 3.21Å; W276-V280 WeakPolarHBondContact O-CG2 3.3Å; W276-V280 PolarHBondContact O-N 3.37Å; F277-V280 PolarHBondContact O-N 3.09Å; V280-M282 VanDerWaalsContact C-N 3.34Å; V280-M282 PolarHBondContact O-N 3.23Å; V280-L283 PolarHBondContact O-N 3.29Å; V280-I284 HydrophobicContact CG1-CD1 3.55Å; V280-I284 HydrophobicContact CG1-CG1 4.46Å; V280-I284 WeakPolarHBondContact O-CD1 3.44Å; V280-I284 VanDerWaalsContact O-CG1 3.27Å; V280-I284 WeakPolarHBondContact O-CG1 3.38Å; V280-I284 PolarHBondContact O-N 3.4Å
281A94.9Very high94.1Very high22 Ų2253.1 Ų53.118%0.18226%0.264CS..Hα-helixtrans-60.6-41.8176.700000112F277 I278 S285F277-A281 WeakPolarHBondContact O-CB 3.49Å; F277-A281 PolarHBondContact O-N 3.28Å; I278-A281 PolarHBondContact O-N 3.28Å; A281-S285 VanDerWaalsContact O-CB 3.3Å; A281-S285 WeakPolarHBondContact O-CB 3.28Å; A281-S285 PolarHBondContact O-N 3.44Å; A281-S285 PolarHBondContact O-OG 3.42Å
282M96.1Very high94.3Very high125 Ų12556.4 Ų56.462%0.61628%0.279SS*.Hα-helixtrans-61.5-49.2175.8-174.7-158-61.100111.6I278 L279 V280 I284 S285 L286I278-M282 WeakPolarHBondContact O-CB 3.3Å; I278-M282 PolarHBondContact O-N 3.49Å; L279-M282 PolarHBondContact O-N 3.27Å; V280-M282 VanDerWaalsContact C-N 3.34Å; V280-M282 PolarHBondContact O-N 3.23Å; M282-I284 VanDerWaalsContact C-N 3.35Å; M282-I284 PolarHBondContact O-N 3.49Å; M282-S285 PolarHBondContact O-N 3.4Å; M282-L286 PolarHBondContact O-N 2.59Å
283L96.3Very high94.3Very high53 Ų5352.4 Ų52.428%0.27727%0.267SS..Hα-helixtrans-64.4-38.8-178.9-70.3174.5000112.3I23 L26 L279 V280 L286 K287I23-L283 HydrophobicContact CG2-CB 4.04Å; L26-L283 HydrophobicContact CD2-CD1 3.5Å; L26-L283 VanDerWaalsContact CD2-CD1 3.5Å; L279-L283 HydrophobicContact CD2-CD1 3.64Å; L279-L283 HydrophobicContact CG-CD1 4.25Å; L279-L283 WeakPolarHBondContact O-CG 3.39Å; L279-L283 PolarHBondContact O-N 3.43Å; V280-L283 PolarHBondContact O-N 3.29Å; L283-L286 PolarHBondContact O-N 3.34Å; L283-K287 WeakPolarHBondContact O-CB 3.25Å; L283-K287 PolarHBondContact O-N 3.01Å
284I96.1Very high94.1Very high9 Ų952.4 Ų52.45%0.04627%0.267CS..Hα-helixtrans-69.5-40.6176.8-66.9162000110.9I23 H27 N189 L190 S193 V280 M282 L286 K287 F288I23-I284 HydrophobicContact CG2-CG1 3.91Å; H27-I284 HydrophobicContact CB-CD1 3.84Å; H27-I284 WeakPolarHBondContact CD2-CD1 3.48Å; N189-I284 HydrophobicContact CB-CD1 4.45Å; N189-I284 HydrophobicContact CB-CG2 4.22Å; L190-I284 HydrophobicContact CB-CG2 3.89Å; L190-I284 HydrophobicContact CD1-CG2 4.11Å; S193-I284 VanDerWaalsContact OG-CD1 3.26Å; S193-I284 WeakPolarHBondContact OG-CD1 3.45Å; V280-I284 HydrophobicContact CG1-CD1 3.55Å; V280-I284 HydrophobicContact CG1-CG1 4.46Å; V280-I284 WeakPolarHBondContact O-CD1 3.44Å; V280-I284 VanDerWaalsContact O-CG1 3.27Å; V280-I284 WeakPolarHBondContact O-CG1 3.38Å; V280-I284 PolarHBondContact O-N 3.4Å; M282-I284 VanDerWaalsContact C-N 3.35Å; M282-I284 PolarHBondContact O-N 3.49Å; I284-L286 VanDerWaalsContact C-N 3.34Å; I284-L286 PolarHBondContact O-N 2.76Å; I284-K287 WeakPolarHBondContact O-CB 3.12Å; I284-K287 PolarHBondContact O-N 3.48Å; I284-F288 WeakPolarHBondContact O-CB 3.46Å; I284-F288 PolarHBondContact O-N 2.84Å
285S95.4Very high94.1Very high46 Ų4654 Ų5432%0.32228%0.28SS..Hα-helixtrans-59.8-46.1174.5-59.50000110.9L190 A281 M282 K287 F288 L289L190-S285 WeakPolarHBondContact CD1-OG 3.19Å; A281-S285 VanDerWaalsContact O-CB 3.3Å; A281-S285 WeakPolarHBondContact O-CB 3.28Å; A281-S285 PolarHBondContact O-N 3.44Å; A281-S285 PolarHBondContact O-OG 3.42Å; M282-S285 PolarHBondContact O-N 3.4Å; S285-K287 VanDerWaalsContact C-N 3.32Å; S285-K287 PolarHBondContact O-N 3Å; S285-F288 PolarHBondContact O-N 3.5Å; S285-L289 WeakPolarHBondContact O-CG 3.24Å; S285-L289 PolarHBondContact O-N 3.33Å
286L95.8Very high94Very high108 Ų10854 Ų5457%0.56528%0.281SS*.Hα-helixtrans-61.3-40.1175.3-178.360.7000112M282 L283 I284 L289 Y290M282-L286 PolarHBondContact O-N 2.59Å; L283-L286 PolarHBondContact O-N 3.34Å; I284-L286 VanDerWaalsContact C-N 3.34Å; I284-L286 PolarHBondContact O-N 2.76Å; L286-L289 PolarHBondContact O-N 3.49Å; L286-Y290 WeakPolarHBondContact O-CB 3.47Å; L286-Y290 PolarHBondContact O-N 3.42Å
287K94Very high93.7Very high35 Ų3558.8 Ų58.815%0.15230%0.299CS..Hα-helixtrans-64.5-40.8176.1-178.658.2175.2-170.90112.2D21 I23 E186 L283 I284 S285 Y290 R291D21-K287 IonicContact OD1-NZ 3.49Å; D21-K287 WeakPolarHBondContact OD2-CE 3.35Å; D21-K287 IonicContact OD2-NZ 3.61Å; D21-K287 PolarHBondContact OD2-NZ 3.05Å; I23-K287 HydrophobicContact CD1-CB 3.9Å; I23-K287 HydrophobicContact CD1-CD 4.34Å; I23-K287 HydrophobicContact CD1-CG 4.4Å; I23-K287 HydrophobicContact CG2-CB 4.31Å; E186-K287 VanDerWaalsContact OE1-CE 3.26Å; E186-K287 WeakPolarHBondContact OE1-CE 3.39Å; L283-K287 WeakPolarHBondContact O-CB 3.25Å; L283-K287 PolarHBondContact O-N 3.01Å; I284-K287 WeakPolarHBondContact O-CB 3.12Å; I284-K287 PolarHBondContact O-N 3.48Å; S285-K287 VanDerWaalsContact C-N 3.32Å; S285-K287 PolarHBondContact O-N 3Å; K287-Y290 HydrophobicContact CD-CD1 4.3Å; K287-Y290 WeakPolarHBondContact O-CB 3.2Å; K287-Y290 PolarHBondContact O-N 3.11Å; K287-R291 PolarHBondContact O-N 2.68Å
288F93.7Very high93.2Very high63 Ų6362.2 Ų62.228%0.27632%0.322SS..Hα-helixtrans-65.4-42.6176.3-176-99.6000111.3I187 L190 I284 S285 Y290 R291 L292I187-F288 HydrophobicContact CG1-CE2 3.77Å; L190-F288 HydrophobicContact CD2-CB 4.34Å; L190-F288 HydrophobicContact CD2-CD1 4.08Å; L190-F288 HydrophobicContact CD2-CD2 4.44Å; L190-F288 HydrophobicContact CD2-CG 4.02Å; I284-F288 WeakPolarHBondContact O-CB 3.46Å; I284-F288 PolarHBondContact O-N 2.84Å; S285-F288 PolarHBondContact O-N 3.5Å; F288-Y290 PolarHBondContact O-N 2.99Å; F288-R291 WeakPolarHBondContact O-CB 3.4Å; F288-R291 PolarHBondContact O-N 2.85Å; F288-R291 VanDerWaalsContact O-N 3.12Å; F288-L292 PolarHBondContact O-N 2.88Å
289L94.1Very high92.8Very high105 Ų10561.4 Ų61.455%0.5533%0.331SS..Hα-helixtrans-61.1-43.1173.1-69.5174000112S285 L286 R291 L292 A293S285-L289 WeakPolarHBondContact O-CG 3.24Å; S285-L289 PolarHBondContact O-N 3.33Å; L286-L289 PolarHBondContact O-N 3.49Å; L289-R291 VanDerWaalsContact C-N 3.31Å; L289-R291 PolarHBondContact O-N 3.45Å; L289-L292 PolarHBondContact O-N 3.28Å; L289-A293 WeakPolarHBondContact O-CB 3.5Å; L289-A293 PolarHBondContact O-N 2.95Å
290Y93.3Very high92.4Very high78 Ų7860.6 Ų60.631%0.30633%0.326SS..Hα-helixtrans-57.9-43.7172.3167.8-92.8000111.5L286 K287 F288 A293 T294 M300 L304L286-Y290 WeakPolarHBondContact O-CB 3.47Å; L286-Y290 PolarHBondContact O-N 3.42Å; K287-Y290 HydrophobicContact CD-CD1 4.3Å; K287-Y290 WeakPolarHBondContact O-CB 3.2Å; K287-Y290 PolarHBondContact O-N 3.11Å; F288-Y290 PolarHBondContact O-N 2.99Å; Y290-A293 PolarHBondContact O-N 3.12Å; Y290-T294 HydrophobicContact CD1-CG2 4.49Å; Y290-T294 HydrophobicContact CE1-CG2 4Å; Y290-T294 HydrophobicContact CE2-CG2 4.08Å; Y290-T294 WeakPolarHBondContact O-CG2 3.33Å; Y290-T294 PolarHBondContact O-N 3.07Å; Y290-M300 HydrophobicContact CE2-CE 4.44Å; Y290-L304 HydrophobicContact CE2-CD1 4.21Å; Y290-L304 HydrophobicContact CE2-CD2 4.29Å; Y290-L304 WeakPolarHBondContact OH-CD1 2.95Å; Y290-L304 WeakPolarHBondContact OH-CD2 3.46Å
291R92.9Very high92.1Very high13 Ų1363.1 Ų63.15%0.04934%0.335CS..Hα-helixtrans-61.2-49.1176.6178.362.263.2-148.8-8.6111.1V183 E186 K287 F288 L289 A293 T294 V295V183-R291 HydrophobicContact CG2-CG 4.4Å; E186-R291 IonicContact OE1-NE 3.48Å; E186-R291 IonicContact OE1-NH2 3.71Å; E186-R291 PolarHBondContact OE1-NH2 3.25Å; E186-R291 IonicContact OE2-CZ 3.35Å; E186-R291 IonicContact OE2-NE 3.06Å; E186-R291 PolarHBondContact OE2-NE 3.48Å; E186-R291 IonicContact OE2-NH2 2.63Å; E186-R291 PolarHBondContact OE2-NH2 3.49Å; K287-R291 PolarHBondContact O-N 2.68Å; F288-R291 WeakPolarHBondContact O-CB 3.4Å; F288-R291 PolarHBondContact O-N 2.85Å; F288-R291 VanDerWaalsContact O-N 3.12Å; L289-R291 VanDerWaalsContact C-N 3.31Å; L289-R291 PolarHBondContact O-N 3.45Å; R291-A293 VanDerWaalsContact C-N 3.31Å; R291-A293 PolarHBondContact O-N 2.95Å; R291-T294 PolarHBondContact O-N 2.9Å; R291-T294 VanDerWaalsContact O-N 3.09Å; R291-T294 PolarHBondContact O-OG1 2.9Å; R291-V295 WeakPolarHBondContact O-CG2 3.18Å; R291-V295 PolarHBondContact O-N 3.36Å
292L92.6Very high91.6Very high80 Ų8064 Ų6442%0.41934%0.336SS..Hα-helixtrans-56.9-46178.4-177.461.4000111.1F288 L289 T294 V295 L296F288-L292 PolarHBondContact O-N 2.88Å; L289-L292 PolarHBondContact O-N 3.28Å; L292-T294 VanDerWaalsContact C-N 3.34Å; L292-T294 PolarHBondContact O-N 3.49Å; L292-V295 PolarHBondContact O-N 3.06Å; L292-V295 VanDerWaalsContact O-N 3.14Å; L292-L296 HydrophobicContact CD1-CD1 3.91Å; L292-L296 HydrophobicContact CD1-CG 4.13Å; L292-L296 HydrophobicContact CG-CD1 3.85Å; L292-L296 HydrophobicContact CG-CG 4.41Å; L292-L296 WeakPolarHBondContact O-CG 3.29Å; L292-L296 PolarHBondContact O-N 3.19Å
293A93Very high91.2Very high25 Ų2564.6 Ų64.621%0.20734%0.338CS..Hα-helixtrans-60.9-39.8176.100000112.5L289 Y290 R291 V295 Y297 M300L289-A293 WeakPolarHBondContact O-CB 3.5Å; L289-A293 PolarHBondContact O-N 2.95Å; Y290-A293 PolarHBondContact O-N 3.12Å; R291-A293 VanDerWaalsContact C-N 3.31Å; R291-A293 PolarHBondContact O-N 2.95Å; A293-V295 VanDerWaalsContact C-N 3.31Å; A293-V295 PolarHBondContact O-N 2.98Å; A293-Y297 WeakPolarHBondContact O-CB 3.39Å; A293-Y297 WeakPolarHBondContact O-CD2 3.38Å; A293-Y297 PolarHBondContact O-N 3.35Å; A293-M300 HydrophobicContact CB-CE 3.66Å; A293-M300 HydrophobicContact CB-SD 3.83Å
294T91.1Very high90.9Very high0 Ų064.3 Ų64.30%034%0.336CS..Hα-helixtrans-67.2-29.4175.959.90000113.9Y290 R291 L292 M300 R301 L304 F326 W329Y290-T294 HydrophobicContact CD1-CG2 4.49Å; Y290-T294 HydrophobicContact CE1-CG2 4Å; Y290-T294 HydrophobicContact CE2-CG2 4.08Å; Y290-T294 WeakPolarHBondContact O-CG2 3.33Å; Y290-T294 PolarHBondContact O-N 3.07Å; R291-T294 PolarHBondContact O-N 2.9Å; R291-T294 VanDerWaalsContact O-N 3.09Å; R291-T294 PolarHBondContact O-OG1 2.9Å; L292-T294 VanDerWaalsContact C-N 3.34Å; L292-T294 PolarHBondContact O-N 3.49Å; T294-M300 HydrophobicContact CG2-CE 3.6Å; T294-R301 WeakPolarHBondContact O-CG 3.49Å; T294-L304 HydrophobicContact CG2-CD1 3.82Å; T294-F326 WeakPolarHBondContact O-CE2 3.31Å; T294-W329 HydrophobicContact CG2-CH2 4Å
295V90Very high90.4Very high67 Ų6763.9 Ų63.941%0.40633%0.334SS..Hα-helixtrans-75.9-45.1176.9173.50000110.8F179 R291 L292 A293 F326F179-V295 HydrophobicContact CZ-CG2 4.06Å; R291-V295 WeakPolarHBondContact O-CG2 3.18Å; R291-V295 PolarHBondContact O-N 3.36Å; L292-V295 PolarHBondContact O-N 3.06Å; L292-V295 VanDerWaalsContact O-N 3.14Å; A293-V295 VanDerWaalsContact C-N 3.31Å; A293-V295 PolarHBondContact O-N 2.98Å; V295-F326 HydrophobicContact CB-CE2 4.44Å; V295-F326 HydrophobicContact CG2-CE1 4.36Å; V295-F326 HydrophobicContact CG2-CE2 4.05Å; V295-F326 HydrophobicContact CG2-CZ 3.65Å
296L90.7Very high90Very high107 Ų10766.7 Ų66.756%0.5634%0.338SS*.Hα-helixtrans-74.8-33.4-177-65.1176000113.5L292 P298L292-L296 HydrophobicContact CD1-CD1 3.91Å; L292-L296 HydrophobicContact CD1-CG 4.13Å; L292-L296 HydrophobicContact CG-CD1 3.85Å; L292-L296 HydrophobicContact CG-CG 4.41Å; L292-L296 WeakPolarHBondContact O-CG 3.29Å; L292-L296 PolarHBondContact O-N 3.19Å; L296-P298 WeakPolarHBondContact O-CD 3.3Å
297Y90.1Very high89.6Confident148 Ų14865.5 Ų65.558%0.5834%0.343SS*.  trans-114.4101.4-172.8-62.4-73.6000112.8A293 G299 M300A293-Y297 WeakPolarHBondContact O-CB 3.39Å; A293-Y297 WeakPolarHBondContact O-CD2 3.38Å; A293-Y297 PolarHBondContact O-N 3.35Å; Y297-G299 VanDerWaalsContact C-N 3.25Å; Y297-G299 PolarHBondContact O-N 3.35Å; Y297-M300 PolarHBondContact O-N 3.42Å
298P84.2Confident89.3Confident78 Ų7867.6 Ų67.651%0.50635%0.35SS..Hα-helixtrans-56.7-34.2173-23.732.1000114.3L296 M300 R301 L302L296-P298 WeakPolarHBondContact O-CD 3.3Å; P298-M300 VanDerWaalsContact C-N 3.31Å; P298-M300 PolarHBondContact O-N 3.03Å; P298-R301 WeakPolarHBondContact O-CB 3.42Å; P298-R301 PolarHBondContact O-N 3.28Å; P298-L302 PolarHBondContact O-N 2.82Å
299G84.4Confident88.7Confident51 Ų5164.6 Ų64.653%0.52634%0.337SS..Hα-helixtrans-61.5-36.817900000113.4Y297 R301 L302 Q303Y297-G299 VanDerWaalsContact C-N 3.25Å; Y297-G299 PolarHBondContact O-N 3.35Å; G299-R301 VanDerWaalsContact C-N 3.33Å; G299-R301 PolarHBondContact O-N 3.08Å; G299-L302 PolarHBondContact O-N 3.31Å; G299-Q303 PolarHBondContact O-N 3.42Å; G299-Q303 VanDerWaalsContact O-N 3.12Å
300M86.6Confident88Confident57 Ų5767.4 Ų67.428%0.28134%0.34SS..Hα-helixtrans-62.7-40.2176.1-109.1178.86000111.7Y290 A293 T294 Y297 P298 L302 Q303 L304Y290-M300 HydrophobicContact CE2-CE 4.44Å; A293-M300 HydrophobicContact CB-CE 3.66Å; A293-M300 HydrophobicContact CB-SD 3.83Å; T294-M300 HydrophobicContact CG2-CE 3.6Å; Y297-M300 PolarHBondContact O-N 3.42Å; P298-M300 VanDerWaalsContact C-N 3.31Å; P298-M300 PolarHBondContact O-N 3.03Å; M300-L302 VanDerWaalsContact C-N 3.33Å; M300-L302 PolarHBondContact O-N 3.31Å; M300-Q303 PolarHBondContact O-N 3.35Å; M300-L304 HydrophobicContact CE-CD1 4.47Å; M300-L304 WeakPolarHBondContact O-CB 3.46Å; M300-L304 WeakPolarHBondContact O-CD1 3.19Å; M300-L304 WeakPolarHBondContact O-CG 3.24Å; M300-L304 PolarHBondContact O-N 2.65Å
301R87.9Confident87.3Confident55 Ų5572.4 Ų72.421%0.20836%0.364CS..Hα-helixtrans-59.7-43.2179.2-68-171.8-84.5153.2-0.7112.1T294 P298 G299 L305 W329T294-R301 WeakPolarHBondContact O-CG 3.49Å; P298-R301 WeakPolarHBondContact O-CB 3.42Å; P298-R301 PolarHBondContact O-N 3.28Å; G299-R301 VanDerWaalsContact C-N 3.33Å; G299-R301 PolarHBondContact O-N 3.08Å; R301-L305 PolarHBondContact O-N 3.34Å; R301-L305 VanDerWaalsContact O-N 3.15Å; R301-W329 HydrophobicContact CB-CD2 4.21Å; R301-W329 HydrophobicContact CB-CG 4.46Å; R301-W329 HydrophobicContact CB-CZ2 3.94Å; R301-W329 HydrophobicContact CG-CD2 3.98Å; R301-W329 HydrophobicContact CG-CE3 4.28Å; R301-W329 HydrophobicContact CG-CH2 4.06Å; R301-W329 HydrophobicContact CG-CZ2 3.74Å; R301-W329 HydrophobicContact CG-CZ3 4.31Å; R301-W329 PolarHBondContact O-NE1 3.4Å
302L86.1Confident86.7Confident40 Ų4072.1 Ų72.121%0.20936%0.363CS..Hα-helixtrans-67-41.6177.2-174.268.7000111.5P298 G299 M300 L305 R306 L317 Q318 L321P298-L302 PolarHBondContact O-N 2.82Å; G299-L302 PolarHBondContact O-N 3.31Å; M300-L302 VanDerWaalsContact C-N 3.33Å; M300-L302 PolarHBondContact O-N 3.31Å; L302-L305 PolarHBondContact O-N 3.44Å; L302-R306 WeakPolarHBondContact O-CB 3.14Å; L302-R306 PolarHBondContact O-N 3.11Å; L302-L317 HydrophobicContact CD1-CB 4.27Å; L302-L317 HydrophobicContact CD1-CD2 3.52Å; L302-L317 HydrophobicContact CD1-CG 3.66Å; L302-L317 HydrophobicContact CG-CD2 4.34Å; L302-Q318 HydrophobicContact CD1-CG 4.35Å; L302-Q318 HydrophobicContact CD2-CG 4.11Å; L302-L321 HydrophobicContact CD1-CD1 3.9Å
303Q87.4Confident86.4Confident139 Ų13971.4 Ų71.465%0.6536%0.363SS*.Hα-helixtrans-66-40.8179.3-173.6170.9-5.100112.2G299 M300 R306 A307G299-Q303 PolarHBondContact O-N 3.42Å; G299-Q303 VanDerWaalsContact O-N 3.12Å; M300-Q303 PolarHBondContact O-N 3.35Å; Q303-R306 PolarHBondContact O-N 3.16Å; Q303-A307 WeakPolarHBondContact O-CB 3.02Å; Q303-A307 PolarHBondContact O-N 3.27Å
304L88.6Confident86Confident46 Ų4676.2 Ų76.224%0.24138%0.379CS..Hα-helixtrans-61.3-46.8174.9-80155.2000111.8Y290 T294 M300 A307 R308 W329 M333Y290-L304 HydrophobicContact CE2-CD1 4.21Å; Y290-L304 HydrophobicContact CE2-CD2 4.29Å; Y290-L304 WeakPolarHBondContact OH-CD1 2.95Å; Y290-L304 WeakPolarHBondContact OH-CD2 3.46Å; T294-L304 HydrophobicContact CG2-CD1 3.82Å; M300-L304 HydrophobicContact CE-CD1 4.47Å; M300-L304 WeakPolarHBondContact O-CB 3.46Å; M300-L304 WeakPolarHBondContact O-CD1 3.19Å; M300-L304 WeakPolarHBondContact O-CG 3.24Å; M300-L304 PolarHBondContact O-N 2.65Å; L304-A307 PolarHBondContact O-N 3.48Å; L304-R308 PolarHBondContact O-N 3.01Å; L304-W329 HydrophobicContact CD1-CZ2 4.16Å; L304-M333 HydrophobicContact CB-CE 4.47Å
305L87.2Confident85.7Confident0 Ų084.1 Ų84.10%041%0.414CS..Hα-helixtrans-62.4-43.6175.7-82.4174.2000111.8R301 L302 A307 R308 A309 L317 L321 L332 M333 F344R301-L305 PolarHBondContact O-N 3.34Å; R301-L305 VanDerWaalsContact O-N 3.15Å; L302-L305 PolarHBondContact O-N 3.44Å; L305-A307 VanDerWaalsContact C-N 3.34Å; L305-A307 PolarHBondContact O-N 2.72Å; L305-R308 PolarHBondContact O-N 2.86Å; L305-R308 VanDerWaalsContact O-N 3.17Å; L305-A309 VanDerWaalsContact O-CB 3.23Å; L305-A309 WeakPolarHBondContact O-CB 3.5Å; L305-A309 PolarHBondContact O-N 2.82Å; L305-L317 HydrophobicContact CB-CD2 4.07Å; L305-L321 HydrophobicContact CD1-CD1 3.43Å; L305-L321 VanDerWaalsContact CD1-CD1 3.43Å; L305-L321 HydrophobicContact CD1-CD2 3.73Å; L305-L321 HydrophobicContact CD1-CG 4.2Å; L305-L332 HydrophobicContact CD2-CD2 4.19Å; L305-L332 HydrophobicContact CD2-CG 4.48Å; L305-M333 HydrophobicContact CD2-CG 4.1Å; L305-M333 HydrophobicContact CD2-SD 3.41Å; L305-M333 WeakPolarHBondContact CD2-SD 3.46Å; L305-M333 HydrophobicContact CG-CG 4.48Å; L305-M333 HydrophobicContact CG-SD 3.83Å; L305-F344 HydrophobicContact CD2-CE1 4.03Å; L305-F344 HydrophobicContact CD2-CZ 3.57Å
306R87.3Confident85.4Confident106 Ų10684.6 Ų84.640%0.441%0.411SS..Hα-helixtrans-62-40.5177.1179.2178.316797-7.6112.4L302 Q303 R308 A309 R310 M312 L317L302-R306 WeakPolarHBondContact O-CB 3.14Å; L302-R306 PolarHBondContact O-N 3.11Å; Q303-R306 PolarHBondContact O-N 3.16Å; R306-R308 PolarHBondContact O-N 3.28Å; R306-A309 PolarHBondContact O-N 3.36Å; R306-R310 PolarHBondContact O-N 3.1Å; R306-M312 PolarHBondContact NH1-O 3.48Å; R306-M312 VanDerWaalsContact NH1-O 3.12Å; R306-L317 HydrophobicContact CB-CD2 4Å
307A87.2Confident85.2Confident82 Ų8279.5 Ų79.568%0.67839%0.385SS*.Hα-helixtrans-61.5-35.8176.900000111.4Q303 L304 L305Q303-A307 WeakPolarHBondContact O-CB 3.02Å; Q303-A307 PolarHBondContact O-N 3.27Å; L304-A307 PolarHBondContact O-N 3.48Å; L305-A307 VanDerWaalsContact C-N 3.34Å; L305-A307 PolarHBondContact O-N 2.72Å
308R86.1Confident85Confident80 Ų8077.9 Ų77.930%0.30238%0.383SS..Hα-helixtrans-79.4-37.8177.2-163.570.4175.3177.82.4113.3L304 L305 R306 R310 G336 F344L304-R308 PolarHBondContact O-N 3.01Å; L305-R308 PolarHBondContact O-N 2.86Å; L305-R308 VanDerWaalsContact O-N 3.17Å; R306-R308 PolarHBondContact O-N 3.28Å; R308-R310 PolarHBondContact O-N 3.04Å; R308-G336 VanDerWaalsContact CZ-O 3.27Å; R308-G336 PolarHBondContact NE-O 3.43Å; R308-G336 PolarHBondContact NH2-O 3.39Å; R308-F344 HydrophobicContact CB-CD1 4.1Å; R308-F344 HydrophobicContact CB-CE1 3.9Å; R308-F344 HydrophobicContact CG-CD1 3.67Å; R308-F344 HydrophobicContact CG-CE1 3.81Å; R308-F344 HydrophobicContact CG-CG 4.43Å
309A82.9Confident85Confident0 Ų076.5 Ų76.50%037%0.373CS..SBendtrans-78.28.2-175.800000115.1L305 R306 M312 F344 L348L305-A309 VanDerWaalsContact O-CB 3.23Å; L305-A309 WeakPolarHBondContact O-CB 3.5Å; L305-A309 PolarHBondContact O-N 2.82Å; R306-A309 PolarHBondContact O-N 3.36Å; A309-M312 HydrophobicContact CB-CB 4.27Å; A309-F344 HydrophobicContact CB-CD1 4.5Å; A309-F344 HydrophobicContact CB-CE1 4.48Å; A309-L348 HydrophobicContact CB-CD1 3.38Å
310R78.3Confident85Confident163 Ų16374.6 Ų74.662%0.61535%0.352SS*.THydrogen-bonded Turntrans14.8107.6177.6-150.6-172.8179.51730.6114.9R306 R308R306-R310 PolarHBondContact O-N 3.1Å; R308-R310 PolarHBondContact O-N 3.04Å
311F78.7Confident84.8Confident184 Ų18473.4 Ų73.481%0.80735%0.347SS*.THydrogen-bonded Turntrans80.95.5178.2-50.8-75000118
312M80.7Confident84.4Confident7 Ų776.3 Ų76.33%0.03436%0.357CS..  trans-75.8135172.7-160.9-179.4-149.900113.2R306 A309 H316 L317 L348 E349R306-M312 PolarHBondContact NH1-O 3.48Å; R306-M312 VanDerWaalsContact NH1-O 3.12Å; A309-M312 HydrophobicContact CB-CB 4.27Å; M312-H316 HydrophobicContact CE-CB 4.1Å; M312-H316 HydrophobicContact CG-CB 4.4Å; M312-L317 HydrophobicContact SD-CB 4.25Å; M312-L317 HydrophobicContact SD-CD1 4.1Å; M312-L348 HydrophobicContact CE-CB 3.96Å; M312-L348 HydrophobicContact SD-CB 3.89Å; M312-L348 HydrophobicContact SD-CD1 4.38Å; M312-E349 HydrophobicContact CE-CG 3.85Å
313P85.5Confident84.1Confident65 Ų6578.4 Ų78.442%0.42237%0.369SS..  trans-62.9143.7174.2-20.531.6000112.7K315 H316 L317P313-K315 VanDerWaalsContact C-N 3.27Å; P313-K315 PolarHBondContact O-N 3.41Å; P313-H316 PolarHBondContact O-N 3.43Å; P313-L317 PolarHBondContact O-N 2.97Å
314K84.7Confident83.8Confident125 Ų12573.8 Ų73.854%0.54335%0.351SS..Hα-helixtrans-55.1-41.4177.5-87.6169.9-178.5-174.70112.2L317 Q318K314-L317 PolarHBondContact O-N 2.63Å; K314-Q318 WeakPolarHBondContact O-CG 2.99Å; K314-Q318 PolarHBondContact O-N 2.89Å
315K84.4Confident83.7Confident167 Ų16773.3 Ų73.373%0.72635%0.352SS*.Hα-helixtrans-63-44.3-178.3-64.1-174.2178.7-176.30112.2P313 L317 Q318 V319P313-K315 VanDerWaalsContact C-N 3.27Å; P313-K315 PolarHBondContact O-N 3.41Å; K315-L317 VanDerWaalsContact C-N 3.33Å; K315-L317 PolarHBondContact O-N 3.19Å; K315-Q318 PolarHBondContact O-N 2.93Å; K315-V319 WeakPolarHBondContact O-CG2 3.39Å; K315-V319 PolarHBondContact O-N 2.81Å
316H85.4Confident83.7Confident76 Ų7675 Ų7535%0.35236%0.359SS..Hα-helixtrans-66-39.6179.4-66.5-158.1000110.9M312 P313 V319 A320 Y352M312-H316 HydrophobicContact CE-CB 4.1Å; M312-H316 HydrophobicContact CG-CB 4.4Å; P313-H316 PolarHBondContact O-N 3.43Å; H316-V319 PolarHBondContact O-N 3.29Å; H316-A320 WeakPolarHBondContact O-CB 3.46Å; H316-A320 PolarHBondContact O-N 2.85Å; H316-Y352 HydrophobicContact CB-CD2 4.08Å; H316-Y352 HydrophobicContact CB-CE2 4.22Å; H316-Y352 HydrophobicContact CB-CG 4.45Å; H316-Y352 WeakPolarHBondContact O-CD2 3.45Å
317L85.1Confident83.7Confident1 Ų170 Ų701%0.00534%0.341CS..Hα-helixtrans-66.7-37.7178-17261.7000112.5L302 L305 R306 M312 P313 K314 K315 A320 L321 L348L302-L317 HydrophobicContact CD1-CB 4.27Å; L302-L317 HydrophobicContact CD1-CD2 3.52Å; L302-L317 HydrophobicContact CD1-CG 3.66Å; L302-L317 HydrophobicContact CG-CD2 4.34Å; L305-L317 HydrophobicContact CB-CD2 4.07Å; R306-L317 HydrophobicContact CB-CD2 4Å; M312-L317 HydrophobicContact SD-CB 4.25Å; M312-L317 HydrophobicContact SD-CD1 4.1Å; P313-L317 PolarHBondContact O-N 2.97Å; K314-L317 PolarHBondContact O-N 2.63Å; K315-L317 VanDerWaalsContact C-N 3.33Å; K315-L317 PolarHBondContact O-N 3.19Å; L317-A320 PolarHBondContact O-N 2.9Å; L317-L321 HydrophobicContact CD1-CD1 3.98Å; L317-L321 HydrophobicContact CD1-CG 4.31Å; L317-L321 HydrophobicContact CG-CD1 3.87Å; L317-L321 WeakPolarHBondContact O-CB 3.33Å; L317-L321 WeakPolarHBondContact O-CD1 3.14Å; L317-L321 VanDerWaalsContact O-CG 3.23Å; L317-L321 WeakPolarHBondContact O-CG 3.1Å; L317-L321 PolarHBondContact O-N 2.98Å; L317-L321 VanDerWaalsContact O-N 3.1Å; L317-L348 HydrophobicContact CD1-CD1 4.07Å; L317-L348 HydrophobicContact CD1-CD2 4.17Å
318Q85.8Confident83.8Confident113 Ų11366.7 Ų66.753%0.52831%0.312SS..Hα-helixtrans-63.3-41.4174.7-76.7175.3-32.700112L302 K314 K315 L321 R322L302-Q318 HydrophobicContact CD1-CG 4.35Å; L302-Q318 HydrophobicContact CD2-CG 4.11Å; K314-Q318 WeakPolarHBondContact O-CG 2.99Å; K314-Q318 PolarHBondContact O-N 2.89Å; K315-Q318 PolarHBondContact O-N 2.93Å; Q318-L321 PolarHBondContact O-N 2.84Å; Q318-R322 PolarHBondContact O-N 2.9Å; Q318-R322 VanDerWaalsContact O-N 3.15Å
319V84.4Confident84.1Confident49 Ų4963.3 Ų63.330%0.29730%0.299SS..Hα-helixtrans-66.8-42.8176.7175.20000111.2K315 H316 L321 R322 Y352K315-V319 WeakPolarHBondContact O-CG2 3.39Å; K315-V319 PolarHBondContact O-N 2.81Å; H316-V319 PolarHBondContact O-N 3.29Å; V319-L321 PolarHBondContact O-N 2.93Å; V319-R322 WeakPolarHBondContact O-CB 3.45Å; V319-R322 PolarHBondContact O-N 2.89Å; V319-Y352 HydrophobicContact CB-CD2 3.81Å; V319-Y352 HydrophobicContact CB-CE2 3.81Å; V319-Y352 HydrophobicContact CG1-CD2 3.77Å; V319-Y352 HydrophobicContact CG1-CE2 3.74Å; V319-Y352 HydrophobicContact CG2-CE2 4.34Å
320A84.1Confident84.5Confident11 Ų1163.6 Ų63.69%0.09130%0.3CS..Hα-helixtrans-60.6-31.1176.500000113H316 L317H316-A320 WeakPolarHBondContact O-CB 3.46Å; H316-A320 PolarHBondContact O-N 2.85Å; L317-A320 PolarHBondContact O-N 2.9Å
321L84Confident85.2Confident33 Ų3355.9 Ų55.917%0.17327%0.271CS..THydrogen-bonded Turntrans-97.82.9-177.2-62.7170.5000113.9L302 L305 L317 Q318 V319 N323 C324 L332L302-L321 HydrophobicContact CD1-CD1 3.9Å; L305-L321 HydrophobicContact CD1-CD1 3.43Å; L305-L321 VanDerWaalsContact CD1-CD1 3.43Å; L305-L321 HydrophobicContact CD1-CD2 3.73Å; L305-L321 HydrophobicContact CD1-CG 4.2Å; L317-L321 HydrophobicContact CD1-CD1 3.98Å; L317-L321 HydrophobicContact CD1-CG 4.31Å; L317-L321 HydrophobicContact CG-CD1 3.87Å; L317-L321 WeakPolarHBondContact O-CB 3.33Å; L317-L321 WeakPolarHBondContact O-CD1 3.14Å; L317-L321 VanDerWaalsContact O-CG 3.23Å; L317-L321 WeakPolarHBondContact O-CG 3.1Å; L317-L321 PolarHBondContact O-N 2.98Å; L317-L321 VanDerWaalsContact O-N 3.1Å; Q318-L321 PolarHBondContact O-N 2.84Å; V319-L321 PolarHBondContact O-N 2.93Å; L321-N323 PolarHBondContact O-N 2.03Å; L321-N323 VanDerWaalsContact O-N 3.14Å; L321-C324 HydrophobicContact CB-CB 4.2Å; L321-C324 HydrophobicContact CD2-CB 4.07Å; L321-C324 WeakPolarHBondContact O-CB 3.28Å; L321-C324 PolarHBondContact O-N 2.86Å; L321-L332 HydrophobicContact CD2-CD2 4.17Å
322R79.5Confident85.8Confident115 Ų11547.3 Ų47.343%0.43423%0.234SC..THydrogen-bonded Turntrans-54.8-38.2-170.7-171.5176.571.3-171.5-2.4113.6Q318 V319Q318-R322 PolarHBondContact O-N 2.9Å; Q318-R322 VanDerWaalsContact O-N 3.15Å; V319-R322 WeakPolarHBondContact O-CB 3.45Å; V319-R322 PolarHBondContact O-N 2.89Å
323N78.4Confident86.2Confident85 Ų8548 Ų4846%0.45524%0.237SC..THydrogen-bonded Turntrans-104.911.2-179.7-72.5-14.5000113.6L321 Q355L321-N323 PolarHBondContact O-N 2.03Å; L321-N323 VanDerWaalsContact O-N 3.14Å; N323-Q355 PolarHBondContact ND2-OE1 2.85Å
324C81.6Confident86.5Confident41 Ų4145.3 Ų45.328%0.27722%0.219SC..  trans-85.6114.4-173.4-164.90000110.1L321 D328L321-C324 HydrophobicContact CB-CB 4.2Å; L321-C324 HydrophobicContact CD2-CB 4.07Å; L321-C324 WeakPolarHBondContact O-CB 3.28Å; L321-C324 PolarHBondContact O-N 2.86Å; C324-D328 HydrophobicContact CB-CB 4.49Å; C324-D328 WeakPolarHBondContact SG-CB 3.42Å
325S86.3Confident86.7Confident36 Ų3639.4 Ų39.425%0.25219%0.193SC..  trans-69.5170.8173.273.20000111.4G327 D328 W329S325-G327 VanDerWaalsContact C-N 3.28Å; S325-G327 PolarHBondContact O-N 3.45Å; S325-G327 PolarHBondContact OG-N 3.44Å; S325-D328 VanDerWaalsContact CB-OD2 3.3Å; S325-D328 WeakPolarHBondContact CB-OD2 2.97Å; S325-D328 PolarHBondContact N-OD2 2.79Å; S325-D328 PolarHBondContact O-N 2.85Å; S325-D328 PolarHBondContact OG-N 3.29Å; S325-D328 PolarHBondContact OG-OD1 3.37Å; S325-D328 PolarHBondContact OG-OD2 3.5Å; S325-W329 PolarHBondContact O-N 3.46Å
326F86.3Confident86.9Confident36 Ų3631.4 Ų31.416%0.15816%0.158CC..Hα-helixtrans-60.3-39.5174.9-170.7-79.5000112.3F179 T294 V295 W329 F330F179-F326 AromaticContact CD1-CD1 3.91Å; F179-F326 HydrophobicContact CD1-CD1 3.91Å; F179-F326 HydrophobicContact CD1-CE1 4.1Å; F179-F326 HydrophobicContact CD2-CD1 4.15Å; F179-F326 AromaticContact CD2-CE1 3.65Å; F179-F326 HydrophobicContact CD2-CE1 3.65Å; F179-F326 AromaticContact CE1-CD1 3.78Å; F179-F326 HydrophobicContact CE1-CD1 3.78Å; F179-F326 AromaticContact CE1-CE1 3.72Å; F179-F326 HydrophobicContact CE1-CE1 3.72Å; F179-F326 HydrophobicContact CE2-CD1 4.05Å; F179-F326 AromaticContact CE2-CE1 3.25Å; F179-F326 HydrophobicContact CE2-CE1 3.25Å; F179-F326 HydrophobicContact CE2-CZ 4.08Å; F179-F326 HydrophobicContact CG-CD1 4.08Å; F179-F326 HydrophobicContact CG-CE1 4.05Å; F179-F326 AromaticContact CZ-CD1 3.84Å; F179-F326 HydrophobicContact CZ-CD1 3.84Å; F179-F326 AromaticContact CZ-CE1 3.25Å; F179-F326 HydrophobicContact CZ-CE1 3.25Å; F179-F326 AromaticContact CZ-CZ 4Å; F179-F326 HydrophobicContact CZ-CZ 4Å; T294-F326 WeakPolarHBondContact O-CE2 3.31Å; V295-F326 HydrophobicContact CB-CE2 4.44Å; V295-F326 HydrophobicContact CG2-CE1 4.36Å; V295-F326 HydrophobicContact CG2-CE2 4.05Å; V295-F326 HydrophobicContact CG2-CZ 3.65Å; F326-W329 HydrophobicContact CE1-CE3 4.3Å; F326-W329 HydrophobicContact CE1-CZ3 4.4Å; F326-W329 HydrophobicContact CE2-CE3 4.31Å; F326-W329 HydrophobicContact CE2-CZ3 4.39Å; F326-W329 HydrophobicContact CZ-CE3 4.05Å; F326-W329 AromaticContact CZ-CZ3 3.91Å; F326-W329 HydrophobicContact CZ-CZ3 3.91Å; F326-W329 PolarHBondContact O-N 3.2Å; F326-F330 PolarHBondContact O-N 3.35Å
327G88.3Confident87Confident1 Ų131.2 Ų31.21%0.0116%0.16CC..Hα-helixtrans-62.4-43.9177.100000111.8S325 W329 F330 V331S325-G327 VanDerWaalsContact C-N 3.28Å; S325-G327 PolarHBondContact O-N 3.45Å; S325-G327 PolarHBondContact OG-N 3.44Å; G327-W329 PolarHBondContact O-N 2.78Å; G327-F330 PolarHBondContact O-N 2.05Å; G327-V331 WeakPolarHBondContact O-CG2 3.41Å; G327-V331 PolarHBondContact O-N 2.94Å
328D89.4Confident87Confident12 Ų1231.5 Ų31.56%0.06416%0.161CC..Hα-helixtrans-61.1-46.4177.9-56-32.8000110.9H175 C324 S325 F330 V331 L332H175-D328 IonicContact CE1-OD1 2.69Å; H175-D328 IonicContact CG-OD1 3.61Å; H175-D328 IonicContact ND1-OD1 2.77Å; H175-D328 PolarHBondContact ND1-OD1 3.48Å; C324-D328 HydrophobicContact CB-CB 4.49Å; C324-D328 WeakPolarHBondContact SG-CB 3.42Å; S325-D328 VanDerWaalsContact CB-OD2 3.3Å; S325-D328 WeakPolarHBondContact CB-OD2 2.97Å; S325-D328 PolarHBondContact N-OD2 2.79Å; S325-D328 PolarHBondContact O-N 2.85Å; S325-D328 PolarHBondContact OG-N 3.29Å; S325-D328 PolarHBondContact OG-OD1 3.37Å; S325-D328 PolarHBondContact OG-OD2 3.5Å; D328-F330 VanDerWaalsContact C-N 3.29Å; D328-F330 PolarHBondContact O-N 3.28Å; D328-V331 PolarHBondContact O-N 3.02Å; D328-L332 WeakPolarHBondContact O-CB 3.17Å; D328-L332 PolarHBondContact O-N 3.2Å
329W91.1Very high87Confident10 Ų1026.7 Ų26.74%0.03814%0.139CC..Hα-helixtrans-56.7-43.6175.1172.386.9000111.8T294 R301 L304 S325 F326 G327 L332 M333T294-W329 HydrophobicContact CG2-CH2 4Å; R301-W329 HydrophobicContact CB-CD2 4.21Å; R301-W329 HydrophobicContact CB-CG 4.46Å; R301-W329 HydrophobicContact CB-CZ2 3.94Å; R301-W329 HydrophobicContact CG-CD2 3.98Å; R301-W329 HydrophobicContact CG-CE3 4.28Å; R301-W329 HydrophobicContact CG-CH2 4.06Å; R301-W329 HydrophobicContact CG-CZ2 3.74Å; R301-W329 HydrophobicContact CG-CZ3 4.31Å; R301-W329 PolarHBondContact O-NE1 3.4Å; L304-W329 HydrophobicContact CD1-CZ2 4.16Å; S325-W329 PolarHBondContact O-N 3.46Å; F326-W329 HydrophobicContact CE1-CE3 4.3Å; F326-W329 HydrophobicContact CE1-CZ3 4.4Å; F326-W329 HydrophobicContact CE2-CE3 4.31Å; F326-W329 HydrophobicContact CE2-CZ3 4.39Å; F326-W329 HydrophobicContact CZ-CE3 4.05Å; F326-W329 AromaticContact CZ-CZ3 3.91Å; F326-W329 HydrophobicContact CZ-CZ3 3.91Å; F326-W329 PolarHBondContact O-N 3.2Å; G327-W329 PolarHBondContact O-N 2.78Å; W329-L332 PolarHBondContact O-N 3.19Å; W329-M333 HydrophobicContact CD2-CG 4.24Å; W329-M333 HydrophobicContact CH2-CG 4.45Å; W329-M333 HydrophobicContact CZ2-CG 3.81Å; W329-M333 WeakPolarHBondContact O-CB 3.3Å; W329-M333 WeakPolarHBondContact O-CG 3.32Å; W329-M333 PolarHBondContact O-N 3.13Å
330F92.6Very high87Confident5 Ų526.6 Ų26.62%0.02214%0.14CC..Hα-helixtrans-65.5-45.7-179178.8-104.6000112Y178 F179 Y182 F326 G327 D328 M333 R334Y178-F330 AromaticContact CD1-CD1 3.92Å; Y178-F330 HydrophobicContact CD1-CD1 3.92Å; Y178-F330 AromaticContact CD1-CE1 3.8Å; Y178-F330 HydrophobicContact CD1-CE1 3.8Å; Y178-F330 HydrophobicContact CE1-CD1 4.06Å; Y178-F330 AromaticContact CE1-CE1 3.65Å; Y178-F330 HydrophobicContact CE1-CE1 3.65Å; F179-F330 HydrophobicContact CB-CD1 4.01Å; F179-F330 HydrophobicContact CB-CG 4.4Å; F179-F330 HydrophobicContact CD2-CB 4.22Å; F179-F330 HydrophobicContact CD2-CD1 4.04Å; F179-F330 HydrophobicContact CD2-CD2 4.05Å; F179-F330 HydrophobicContact CD2-CE1 4.43Å; F179-F330 HydrophobicContact CD2-CE2 4.46Å; F179-F330 AromaticContact CD2-CG 3.82Å; F179-F330 HydrophobicContact CD2-CG 3.82Å; Y182-F330 HydrophobicContact CD1-CE1 4.33Å; Y182-F330 HydrophobicContact CD1-CE2 4.04Å; Y182-F330 AromaticContact CD1-CZ 3.41Å; Y182-F330 HydrophobicContact CD1-CZ 3.41Å; Y182-F330 VanDerWaalsContact CD1-CZ 3.41Å; Y182-F330 HydrophobicContact CD2-CZ 4.37Å; Y182-F330 HydrophobicContact CE1-CE2 4.41Å; Y182-F330 AromaticContact CE1-CZ 3.99Å; Y182-F330 HydrophobicContact CE1-CZ 3.99Å; Y182-F330 HydrophobicContact CG-CE1 4.16Å; Y182-F330 AromaticContact CG-CZ 3.63Å; Y182-F330 HydrophobicContact CG-CZ 3.63Å; F326-F330 PolarHBondContact O-N 3.35Å; G327-F330 PolarHBondContact O-N 2.05Å; D328-F330 VanDerWaalsContact C-N 3.29Å; D328-F330 PolarHBondContact O-N 3.28Å; F330-M333 PolarHBondContact O-N 3.02Å; F330-R334 HydrophobicContact CE1-CG 4.22Å; F330-R334 HydrophobicContact CZ-CG 4.2Å; F330-R334 WeakPolarHBondContact O-CG 3.48Å; F330-R334 PolarHBondContact O-N 3.07Å
331V91.8Very high87Confident2 Ų228.4 Ų28.41%0.01215%0.152CC..Hα-helixtrans-65-41.8176.5176.80000110.6F167 H175 Y178 G327 D328 M333 R334 V335F167-V331 HydrophobicContact CE1-CB 4.24Å; F167-V331 HydrophobicContact CE1-CG1 3.91Å; F167-V331 HydrophobicContact CZ-CG1 3.98Å; H175-V331 HydrophobicContact CB-CG2 4.14Å; Y178-V331 HydrophobicContact CD1-CG2 3.73Å; Y178-V331 HydrophobicContact CE1-CG2 4.17Å; Y178-V331 HydrophobicContact CG-CG2 4.39Å; G327-V331 WeakPolarHBondContact O-CG2 3.41Å; G327-V331 PolarHBondContact O-N 2.94Å; D328-V331 PolarHBondContact O-N 3.02Å; V331-M333 PolarHBondContact O-N 3.24Å; V331-R334 WeakPolarHBondContact O-CB 3.35Å; V331-R334 PolarHBondContact O-N 3.34Å; V331-R334 VanDerWaalsContact O-N 3.11Å; V331-V335 WeakPolarHBondContact O-CG2 3.21Å; V331-V335 PolarHBondContact O-N 3.03Å
332L91.3Very high87Confident3 Ų331.9 Ų31.92%0.01617%0.167CC..Hα-helixtrans-60.6-43.6177-174.165.1000111.8F167 L305 L321 D328 W329 R334 V335 G336 F344 L347 L348 L351F167-L332 HydrophobicContact CD2-CD1 4.22Å; F167-L332 HydrophobicContact CE1-CB 4.15Å; F167-L332 HydrophobicContact CE1-CD1 4.36Å; F167-L332 HydrophobicContact CE2-CD1 3.81Å; F167-L332 HydrophobicContact CZ-CB 4.18Å; F167-L332 HydrophobicContact CZ-CD1 3.9Å; L305-L332 HydrophobicContact CD2-CD2 4.19Å; L305-L332 HydrophobicContact CD2-CG 4.48Å; L321-L332 HydrophobicContact CD2-CD2 4.17Å; D328-L332 WeakPolarHBondContact O-CB 3.17Å; D328-L332 PolarHBondContact O-N 3.2Å; W329-L332 PolarHBondContact O-N 3.19Å; L332-R334 VanDerWaalsContact C-N 3.34Å; L332-R334 PolarHBondContact O-N 3.03Å; L332-V335 PolarHBondContact O-N 3.39Å; L332-G336 PolarHBondContact O-N 3.12Å; L332-F344 HydrophobicContact CD1-CE2 3.96Å; L332-F344 HydrophobicContact CG-CE2 3.97Å; L332-F344 HydrophobicContact CG-CZ 4.16Å; L332-F344 WeakPolarHBondContact O-CE2 3.43Å; L332-L347 HydrophobicContact CD1-CD2 3.73Å; L332-L348 HydrophobicContact CD2-CD2 3.96Å; L332-L351 HydrophobicContact CD1-CD1 4.46Å
333M91.1Very high87.2Confident21 Ų2127.9 Ų27.910%0.10315%0.154CC..Hα-helixtrans-63.5-37.7173.6-78.4-61.6-57.500112.4L304 L305 W329 F330 V331 G336 N337L304-M333 HydrophobicContact CB-CE 4.47Å; L305-M333 HydrophobicContact CD2-CG 4.1Å; L305-M333 HydrophobicContact CD2-SD 3.41Å; L305-M333 WeakPolarHBondContact CD2-SD 3.46Å; L305-M333 HydrophobicContact CG-CG 4.48Å; L305-M333 HydrophobicContact CG-SD 3.83Å; W329-M333 HydrophobicContact CD2-CG 4.24Å; W329-M333 HydrophobicContact CH2-CG 4.45Å; W329-M333 HydrophobicContact CZ2-CG 3.81Å; W329-M333 WeakPolarHBondContact O-CB 3.3Å; W329-M333 WeakPolarHBondContact O-CG 3.32Å; W329-M333 PolarHBondContact O-N 3.13Å; F330-M333 PolarHBondContact O-N 3.02Å; V331-M333 PolarHBondContact O-N 3.24Å; M333-G336 PolarHBondContact O-N 3Å; M333-N337 VanDerWaalsContact O-CG 3.31Å; M333-N337 PolarHBondContact O-N 3.41Å
334R90.6Very high87.6Confident10 Ų1023.8 Ų23.84%0.03813%0.132CC..Hα-helixtrans-64.6-43.3175.8-75.9-78.6175.1-147.9-11112.1D21 L139 Y182 F330 V331 L332 N337 N338D21-R334 VanDerWaalsContact CG-NH1 3.32Å; D21-R334 VanDerWaalsContact CG-NH2 3.34Å; D21-R334 IonicContact OD1-CZ 3.69Å; D21-R334 IonicContact OD1-NH1 2.82Å; D21-R334 PolarHBondContact OD1-NH1 3.49Å; D21-R334 IonicContact OD1-NH2 3.93Å; D21-R334 PolarHBondContact OD1-NH2 3.26Å; D21-R334 IonicContact OD2-CZ 2.77Å; D21-R334 IonicContact OD2-NH1 3.86Å; D21-R334 IonicContact OD2-NH2 2.61Å; D21-R334 PolarHBondContact OD2-NH2 3.23Å; L139-R334 HydrophobicContact CD1-CB 4.24Å; L139-R334 HydrophobicContact CD2-CB 4.43Å; Y182-R334 PolarHBondContact OH-NH2 3.44Å; F330-R334 HydrophobicContact CE1-CG 4.22Å; F330-R334 HydrophobicContact CZ-CG 4.2Å; F330-R334 WeakPolarHBondContact O-CG 3.48Å; F330-R334 PolarHBondContact O-N 3.07Å; V331-R334 WeakPolarHBondContact O-CB 3.35Å; V331-R334 PolarHBondContact O-N 3.34Å; V331-R334 VanDerWaalsContact O-N 3.11Å; L332-R334 VanDerWaalsContact C-N 3.34Å; L332-R334 PolarHBondContact O-N 3.03Å; R334-N337 PolarHBondContact O-N 3.01Å; R334-N338 PolarHBondContact O-N 3.31Å; R334-N338 PolarHBondContact O-ND2 3.44Å
335V89.8Confident87.9Confident0 Ų025.4 Ų25.40%013%0.132CC..Hα-helixtrans-63.4-45.9173.2173.10000110L139 L142 L163 F167 V331 L332 N337 N338 I339L139-V335 HydrophobicContact CD1-CG2 3.84Å; L142-V335 HydrophobicContact CD1-CG2 4.35Å; L163-V335 HydrophobicContact CD2-CG1 3.92Å; F167-V335 HydrophobicContact CZ-CG2 4.22Å; V331-V335 WeakPolarHBondContact O-CG2 3.21Å; V331-V335 PolarHBondContact O-N 3.03Å; L332-V335 PolarHBondContact O-N 3.39Å; V335-N337 PolarHBondContact O-N 3.3Å; V335-N338 CarbonylContact O-C 3.58Å; V335-N338 WeakPolarHBondContact O-CA 3.08Å; V335-N338 PolarHBondContact O-N 3.46Å; V335-I339 HydrophobicContact CG1-CD1 4.11Å; V335-I339 HydrophobicContact CG1-CG2 4.32Å; V335-I339 WeakPolarHBondContact O-CG1 3.35Å; V335-I339 PolarHBondContact O-N 3.04Å; V335-I339 VanDerWaalsContact O-N 3.09Å
336G87.6Confident88Confident0 Ų028.5 Ų28.50%014%0.141CC..Hα-helixtrans-58.8-30.1177.500000114.4R308 L332 M333 N338R308-G336 VanDerWaalsContact CZ-O 3.27Å; R308-G336 PolarHBondContact NE-O 3.43Å; R308-G336 PolarHBondContact NH2-O 3.39Å; L332-G336 PolarHBondContact O-N 3.12Å; M333-G336 PolarHBondContact O-N 3Å; G336-N338 VanDerWaalsContact C-N 3.3Å
337N87Confident88.1Confident72 Ų7226.8 Ų26.839%0.38513%0.134SC..Hα-helixtrans-73.8-20.9173.7-73.9-12.1000113.4M333 R334 V335M333-N337 VanDerWaalsContact O-CG 3.31Å; M333-N337 PolarHBondContact O-N 3.41Å; R334-N337 PolarHBondContact O-N 3.01Å; V335-N337 PolarHBondContact O-N 3.3Å
338N86.7Confident88.1Confident7 Ų726.8 Ų26.84%0.03713%0.133CC..Hα-helixtrans-102.3-10.1-176.8-79.5-79.2000114.4V17 H18 C143 H147 R334 V335 G336V17-N338 WeakPolarHBondContact CA-OD1 3.04Å; H18-N338 WeakPolarHBondContact CA-OD1 3.24Å; H18-N338 PolarHBondContact N-OD1 3.03Å; H18-N338 PolarHBondContact O-ND2 3.26Å; H18-N338 PolarHBondContact O-OD1 2.97Å; C143-N338 HydrophobicContact CB-CB 4.05Å; H147-N338 PolarHBondContact CE1-O 3.29Å; R334-N338 PolarHBondContact O-N 3.31Å; R334-N338 PolarHBondContact O-ND2 3.44Å; V335-N338 CarbonylContact O-C 3.58Å; V335-N338 WeakPolarHBondContact O-CA 3.08Å; V335-N338 PolarHBondContact O-N 3.46Å; G336-N338 VanDerWaalsContact C-N 3.3Å
339I84.6Confident88.1Confident11 Ų1129.4 Ų29.46%0.05615%0.145CC..SBendtrans-116.2162.8177.869.8177.1000111.2F146 V335 L343 F344F146-I339 HydrophobicContact CD2-CG2 4.27Å; F146-I339 HydrophobicContact CG-CG2 4.47Å; V335-I339 HydrophobicContact CG1-CD1 4.11Å; V335-I339 HydrophobicContact CG1-CG2 4.32Å; V335-I339 WeakPolarHBondContact O-CG1 3.35Å; V335-I339 PolarHBondContact O-N 3.04Å; V335-I339 VanDerWaalsContact O-N 3.09Å; I339-L343 HydrophobicContact CD1-CB 4.23Å; I339-F344 HydrophobicContact CD1-CB 3.91Å; I339-F344 HydrophobicContact CD1-CD2 4.06Å; I339-F344 HydrophobicContact CG1-CB 4.01Å; I339-F344 HydrophobicContact CG1-CD2 4.45Å
340S84.1Confident87.9Confident47 Ų4731.3 Ų31.333%0.32916%0.155SC..  trans-64.5146.7177.393.60000110.9E342 L343 F344S340-E342 VanDerWaalsContact CB-OE2 3.3Å; S340-E342 WeakPolarHBondContact CB-OE2 3.12Å; S340-E342 PolarHBondContact O-N 3.3Å; S340-E342 VanDerWaalsContact O-N 3.17Å; S340-E342 PolarHBondContact OG-OE2 3.43Å; S340-L343 PolarHBondContact O-N 3.02Å; S340-L343 VanDerWaalsContact O-N 3.11Å; S340-L343 PolarHBondContact OG-N 3.27Å; S340-F344 PolarHBondContact O-N 3.16Å
341P84.8Confident87.7Confident50 Ų5031.7 Ų31.733%0.32516%0.157SC..Hα-helixtrans-56.2-31.9179-25.835.3000113.6F344 R345P341-F344 PolarHBondContact O-N 3.5Å; P341-R345 PolarHBondContact O-N 3.32Å
342E83.5Confident87.5Confident106 Ų10634.8 Ų34.850%0.49517%0.169SC..Hα-helixtrans-68.6-41.6178-56.772.8-155.100112S340 R345 K346S340-E342 VanDerWaalsContact CB-OE2 3.3Å; S340-E342 WeakPolarHBondContact CB-OE2 3.12Å; S340-E342 PolarHBondContact O-N 3.3Å; S340-E342 VanDerWaalsContact O-N 3.17Å; S340-E342 PolarHBondContact OG-OE2 3.43Å; E342-R345 PolarHBondContact O-N 2.73Å; E342-K346 WeakPolarHBondContact O-CG 3.05Å; E342-K346 PolarHBondContact O-N 3.17Å; E342-K346 VanDerWaalsContact O-N 3.13Å
343L83.4Confident87.3Confident30 Ų3040.3 Ų40.316%0.15720%0.195CC..Hα-helixtrans-68.4-39.2175.5-70.6172.4000110.9F146 I339 S340 R345 K346 L347F146-L343 HydrophobicContact CD1-CD1 3.94Å; I339-L343 HydrophobicContact CD1-CB 4.23Å; S340-L343 PolarHBondContact O-N 3.02Å; S340-L343 VanDerWaalsContact O-N 3.11Å; S340-L343 PolarHBondContact OG-N 3.27Å; L343-R345 VanDerWaalsContact C-N 3.34Å; L343-R345 PolarHBondContact O-N 3.25Å; L343-K346 PolarHBondContact O-N 3.08Å; L343-L347 PolarHBondContact O-N 2.77Å
344F88.1Confident87Confident0 Ų040.9 Ų40.90%020%0.202CC..Hα-helixtrans-63.2-39.6175.5-171.2-112.2000112.4L305 R308 A309 L332 I339 S340 P341 L347 L348L305-F344 HydrophobicContact CD2-CE1 4.03Å; L305-F344 HydrophobicContact CD2-CZ 3.57Å; R308-F344 HydrophobicContact CB-CD1 4.1Å; R308-F344 HydrophobicContact CB-CE1 3.9Å; R308-F344 HydrophobicContact CG-CD1 3.67Å; R308-F344 HydrophobicContact CG-CE1 3.81Å; R308-F344 HydrophobicContact CG-CG 4.43Å; A309-F344 HydrophobicContact CB-CD1 4.5Å; A309-F344 HydrophobicContact CB-CE1 4.48Å; L332-F344 HydrophobicContact CD1-CE2 3.96Å; L332-F344 HydrophobicContact CG-CE2 3.97Å; L332-F344 HydrophobicContact CG-CZ 4.16Å; L332-F344 WeakPolarHBondContact O-CE2 3.43Å; I339-F344 HydrophobicContact CD1-CB 3.91Å; I339-F344 HydrophobicContact CD1-CD2 4.06Å; I339-F344 HydrophobicContact CG1-CB 4.01Å; I339-F344 HydrophobicContact CG1-CD2 4.45Å; S340-F344 PolarHBondContact O-N 3.16Å; P341-F344 PolarHBondContact O-N 3.5Å; F344-L347 HydrophobicContact CD2-CD2 4.33Å; F344-L347 WeakPolarHBondContact O-CB 3.21Å; F344-L347 PolarHBondContact O-N 3.02Å; F344-L348 HydrophobicContact CD1-CD1 3.99Å; F344-L348 HydrophobicContact CE1-CD1 3.61Å; F344-L348 HydrophobicContact CE1-CG 4.37Å; F344-L348 HydrophobicContact CZ-CD1 4.07Å; F344-L348 HydrophobicContact CZ-CG 4.44Å; F344-L348 WeakPolarHBondContact O-CG 3.45Å; F344-L348 PolarHBondContact O-N 2.93Å; F344-L348 VanDerWaalsContact O-N 3.13Å
345R87.8Confident86.6Confident75 Ų7541.2 Ų41.228%0.28320%0.204SC..Hα-helixtrans-61.4-49173.3-177.1-174.163.381.55.4111.5P341 E342 L343 L347 L348 E349P341-R345 PolarHBondContact O-N 3.32Å; E342-R345 PolarHBondContact O-N 2.73Å; L343-R345 VanDerWaalsContact C-N 3.34Å; L343-R345 PolarHBondContact O-N 3.25Å; R345-L347 VanDerWaalsContact C-N 3.28Å; R345-L347 PolarHBondContact O-N 2.9Å; R345-L348 PolarHBondContact O-N 2.89Å; R345-L348 VanDerWaalsContact O-N 3.11Å; R345-E349 IonicContact CZ-OE1 2.72Å; R345-E349 IonicContact CZ-OE2 4Å; R345-E349 IonicContact NH1-OE1 3.19Å; R345-E349 PolarHBondContact NH1-OE1 3.14Å; R345-E349 IonicContact NH1-OE2 3.01Å; R345-E349 PolarHBondContact NH1-OE2 3.16Å; R345-E349 WeakPolarHBondContact O-CG 3.34Å; R345-E349 PolarHBondContact O-N 2.75Å
346K87.7Confident86.2Confident101 Ų10144.2 Ų44.244%0.43923%0.225SC..Hα-helixtrans-59.6-39.3178.3-71.8178.8179.7-179.50112.3L160 E342 L343 L348 E349 E350L160-K346 HydrophobicContact CD2-CB 3.83Å; E342-K346 WeakPolarHBondContact O-CG 3.05Å; E342-K346 PolarHBondContact O-N 3.17Å; E342-K346 VanDerWaalsContact O-N 3.13Å; L343-K346 PolarHBondContact O-N 3.08Å; K346-L348 VanDerWaalsContact C-N 3.34Å; K346-L348 PolarHBondContact O-N 2.84Å; K346-E349 PolarHBondContact O-N 3.26Å; K346-E350 PolarHBondContact O-N 3.44Å
347L88.6Confident85.8Confident0 Ų051 Ų510%026%0.261CS..Hα-helixtrans-57.7-47.1173.7175.864.6000111.5L160 L163 V164 F167 L332 L343 F344 R345 E349 E350 L351L160-L347 HydrophobicContact CD1-CB 3.73Å; L160-L347 HydrophobicContact CD1-CD1 3.99Å; L160-L347 HydrophobicContact CD1-CG 4.46Å; L163-L347 HydrophobicContact CB-CD1 4.03Å; L163-L347 HydrophobicContact CD2-CD1 3.76Å; L163-L347 HydrophobicContact CD2-CD2 3.53Å; L163-L347 HydrophobicContact CD2-CG 4.22Å; L163-L347 HydrophobicContact CG-CD1 3.73Å; L163-L347 HydrophobicContact CG-CD2 4.1Å; V164-L347 HydrophobicContact CG2-CD1 3.74Å; F167-L347 HydrophobicContact CE2-CD2 4.42Å; L332-L347 HydrophobicContact CD1-CD2 3.73Å; L343-L347 PolarHBondContact O-N 2.77Å; F344-L347 HydrophobicContact CD2-CD2 4.33Å; F344-L347 WeakPolarHBondContact O-CB 3.21Å; F344-L347 PolarHBondContact O-N 3.02Å; R345-L347 VanDerWaalsContact C-N 3.28Å; R345-L347 PolarHBondContact O-N 2.9Å; L347-E349 VanDerWaalsContact C-N 3.33Å; L347-E349 PolarHBondContact O-N 2.86Å; L347-E350 PolarHBondContact O-N 2.87Å; L347-L351 HydrophobicContact CD1-CD1 4.23Å; L347-L351 HydrophobicContact CD1-CG 4.43Å; L347-L351 HydrophobicContact CG-CD1 4.06Å; L347-L351 WeakPolarHBondContact O-CB 3.45Å; L347-L351 VanDerWaalsContact O-CG 3.27Å; L347-L351 WeakPolarHBondContact O-CG 3.36Å; L347-L351 PolarHBondContact O-N 2.02Å
348L89.3Confident85.1Confident0 Ų051.6 Ų51.60%026%0.263CS..Hα-helixtrans-67.2-33.5179.2-69.6171.7000112.6A309 M312 L317 L332 F344 R345 K346 L351 Y352A309-L348 HydrophobicContact CB-CD1 3.38Å; M312-L348 HydrophobicContact CE-CB 3.96Å; M312-L348 HydrophobicContact SD-CB 3.89Å; M312-L348 HydrophobicContact SD-CD1 4.38Å; L317-L348 HydrophobicContact CD1-CD1 4.07Å; L317-L348 HydrophobicContact CD1-CD2 4.17Å; L332-L348 HydrophobicContact CD2-CD2 3.96Å; F344-L348 HydrophobicContact CD1-CD1 3.99Å; F344-L348 HydrophobicContact CE1-CD1 3.61Å; F344-L348 HydrophobicContact CE1-CG 4.37Å; F344-L348 HydrophobicContact CZ-CD1 4.07Å; F344-L348 HydrophobicContact CZ-CG 4.44Å; F344-L348 WeakPolarHBondContact O-CG 3.45Å; F344-L348 PolarHBondContact O-N 2.93Å; F344-L348 VanDerWaalsContact O-N 3.13Å; R345-L348 PolarHBondContact O-N 2.89Å; R345-L348 VanDerWaalsContact O-N 3.11Å; K346-L348 VanDerWaalsContact C-N 3.34Å; K346-L348 PolarHBondContact O-N 2.84Å; L348-L351 HydrophobicContact CD2-CD1 4.49Å; L348-Y352 WeakPolarHBondContact O-CB 3.31Å; L348-Y352 PolarHBondContact O-N 3.23Å
349E88.9Confident83.6Confident67 Ų6760.7 Ų60.731%0.31330%0.302SS..Hα-helixtrans-66.6-46.2174.5-73.5172.1176.300111.9M312 R345 K346 L347 L351 Y352 E353M312-E349 HydrophobicContact CE-CG 3.85Å; R345-E349 IonicContact CZ-OE1 2.72Å; R345-E349 IonicContact CZ-OE2 4Å; R345-E349 IonicContact NH1-OE1 3.19Å; R345-E349 PolarHBondContact NH1-OE1 3.14Å; R345-E349 IonicContact NH1-OE2 3.01Å; R345-E349 PolarHBondContact NH1-OE2 3.16Å; R345-E349 WeakPolarHBondContact O-CG 3.34Å; R345-E349 PolarHBondContact O-N 2.75Å; K346-E349 PolarHBondContact O-N 3.26Å; L347-E349 VanDerWaalsContact C-N 3.33Å; L347-E349 PolarHBondContact O-N 2.86Å; E349-L351 VanDerWaalsContact C-N 3.33Å; E349-L351 PolarHBondContact O-N 3.4Å; E349-Y352 WeakPolarHBondContact O-CB 3.03Å; E349-Y352 PolarHBondContact O-N 3.38Å; E349-E353 PolarHBondContact O-N 3.46Å
350E87.4Confident82.3Confident51 Ų5164.3 Ų64.324%0.23832%0.321CS..Hα-helixtrans-67.2-34.1176.3-69.2-170.6-179.200112L160 V164 K346 L347 E353 A354L160-E350 VanDerWaalsContact CD2-CD 3.48Å; L160-E350 HydrophobicContact CD2-CG 4.34Å; L160-E350 WeakPolarHBondContact CD2-OE1 2.83Å; L160-E350 WeakPolarHBondContact CG-OE2 3.21Å; V164-E350 HydrophobicContact CG2-CB 3.6Å; K346-E350 PolarHBondContact O-N 3.44Å; L347-E350 PolarHBondContact O-N 2.87Å; E350-E353 PolarHBondContact O-N 3.12Å; E350-A354 WeakPolarHBondContact O-CB 3.18Å; E350-A354 PolarHBondContact O-N 3.33Å
351L87Confident80.6Confident13 Ų1366.7 Ų66.77%0.06834%0.335CS..Hα-helixtrans-65.6-39171.4-75.4169.9000112.1V164 F167 L332 L347 L348 E349 Q355V164-L351 HydrophobicContact CG1-CD2 4.11Å; V164-L351 HydrophobicContact CG2-CG 4.47Å; F167-L351 HydrophobicContact CB-CD2 3.93Å; L332-L351 HydrophobicContact CD1-CD1 4.46Å; L347-L351 HydrophobicContact CD1-CD1 4.23Å; L347-L351 HydrophobicContact CD1-CG 4.43Å; L347-L351 HydrophobicContact CG-CD1 4.06Å; L347-L351 WeakPolarHBondContact O-CB 3.45Å; L347-L351 VanDerWaalsContact O-CG 3.27Å; L347-L351 WeakPolarHBondContact O-CG 3.36Å; L347-L351 PolarHBondContact O-N 2.02Å; L348-L351 HydrophobicContact CD2-CD1 4.49Å; E349-L351 VanDerWaalsContact C-N 3.33Å; E349-L351 PolarHBondContact O-N 3.4Å; L351-Q355 WeakPolarHBondContact O-CB 3Å; L351-Q355 VanDerWaalsContact O-CG 3.24Å; L351-Q355 WeakPolarHBondContact O-CG 3.32Å; L351-Q355 PolarHBondContact O-N 2.94Å
352Y89Confident78.3Confident67 Ų6770.8 Ų70.826%0.26336%0.362SS..Hα-helixtrans-60.3-49.3173.2165.8-99.6000111.1H316 V319 L348 E349 Q355 S356H316-Y352 HydrophobicContact CB-CD2 4.08Å; H316-Y352 HydrophobicContact CB-CE2 4.22Å; H316-Y352 HydrophobicContact CB-CG 4.45Å; H316-Y352 WeakPolarHBondContact O-CD2 3.45Å; V319-Y352 HydrophobicContact CB-CD2 3.81Å; V319-Y352 HydrophobicContact CB-CE2 3.81Å; V319-Y352 HydrophobicContact CG1-CD2 3.77Å; V319-Y352 HydrophobicContact CG1-CE2 3.74Å; V319-Y352 HydrophobicContact CG2-CE2 4.34Å; L348-Y352 WeakPolarHBondContact O-CB 3.31Å; L348-Y352 PolarHBondContact O-N 3.23Å; E349-Y352 WeakPolarHBondContact O-CB 3.03Å; E349-Y352 PolarHBondContact O-N 3.38Å; Y352-Q355 PolarHBondContact O-N 3.21Å; Y352-S356 WeakPolarHBondContact O-CB 3.48Å; Y352-S356 PolarHBondContact O-N 3.04Å; Y352-S356 PolarHBondContact O-OG 2.99Å
353E87.3Confident76.7Confident119 Ų11969.2 Ų69.256%0.55637%0.374SS*.Hα-helixtrans-57.8-50.3177.2-72.3-179.6-176.800111.2E349 E350 Q355 S356 L357E349-E353 PolarHBondContact O-N 3.46Å; E350-E353 PolarHBondContact O-N 3.12Å; E353-Q355 VanDerWaalsContact C-N 3.34Å; E353-Q355 PolarHBondContact O-N 2.91Å; E353-S356 WeakPolarHBondContact CA-OG 3.5Å; E353-S356 PolarHBondContact O-N 3.24Å; E353-S356 PolarHBondContact O-OG 3.3Å; E353-L357 WeakPolarHBondContact O-CG 3.48Å; E353-L357 PolarHBondContact O-N 2.99Å
354A83.9Confident75.1Confident32 Ų3271.2 Ų71.226%0.26440%0.395SS..Hα-helixtrans-57.1-43.217800000112.9V164 E350V164-A354 HydrophobicContact CG1-CB 4.37Å; E350-A354 WeakPolarHBondContact O-CB 3.18Å; E350-A354 PolarHBondContact O-N 3.33Å
355Q82.7Confident72.9Confident18 Ų1877.9 Ų77.98%0.08443%0.43CS..Hα-helixtrans-74.7-33179.9-68.4-65.5-36.500112.8N323 L351 Y352 E353 L357 I358N323-Q355 PolarHBondContact ND2-OE1 2.85Å; L351-Q355 WeakPolarHBondContact O-CB 3Å; L351-Q355 VanDerWaalsContact O-CG 3.24Å; L351-Q355 WeakPolarHBondContact O-CG 3.32Å; L351-Q355 PolarHBondContact O-N 2.94Å; Y352-Q355 PolarHBondContact O-N 3.21Å; E353-Q355 VanDerWaalsContact C-N 3.34Å; E353-Q355 PolarHBondContact O-N 2.91Å; Q355-L357 VanDerWaalsContact C-N 3.27Å; Q355-L357 PolarHBondContact O-N 3.14Å; Q355-I358 PolarHBondContact O-N 3.19Å
356S80.8Confident70.5Confident63 Ų6383.3 Ų83.344%0.44146%0.456SS..Hα-helixtrans-67.1-26.7177.169.60000113.5Y352 E353 I358Y352-S356 WeakPolarHBondContact O-CB 3.48Å; Y352-S356 PolarHBondContact O-N 3.04Å; Y352-S356 PolarHBondContact O-OG 2.99Å; E353-S356 WeakPolarHBondContact CA-OG 3.5Å; E353-S356 PolarHBondContact O-N 3.24Å; E353-S356 PolarHBondContact O-OG 3.3Å; S356-I358 VanDerWaalsContact C-N 3.3Å
357L78.9Confident67.9Low142 Ų14290.2 Ų90.274%0.74350%0.495SS*.THydrogen-bonded Turntrans-76.6-17.5176.9-68.4171.2000112.9E353 Q355 K359E353-L357 WeakPolarHBondContact O-CG 3.48Å; E353-L357 PolarHBondContact O-N 2.99Å; Q355-L357 VanDerWaalsContact C-N 3.27Å; Q355-L357 PolarHBondContact O-N 3.14Å; L357-K359 PolarHBondContact O-N 3.16Å; L357-K359 VanDerWaalsContact O-N 3.14Å
358I73.1Confident66.8Low85 Ų8594.8 Ų94.844%0.43652%0.52SS..SBendtrans-77.5100.6176.1-60.5171000108.2Q355 S356 I360Q355-I358 PolarHBondContact O-N 3.19Å; S356-I358 VanDerWaalsContact C-N 3.3Å; I358-I360 PolarHBondContact O-N 3.37Å
359K54Low65.7Low197 Ų19799.7 Ų99.786%0.85755%0.548SS*.PPolyproline II helixtrans-51.4130.2-180-79.9-178177178.80111.4L357 P361L357-K359 PolarHBondContact O-N 3.16Å; L357-K359 VanDerWaalsContact O-N 3.14Å; K359-P361 WeakPolarHBondContact O-CD 3.32Å
360I57.2Low64.4Low88 Ų88101.6 Ų101.645%0.45156%0.561SS.*PPolyproline II helixtrans-70.3123.1175-61.2157.9000108.2I358I358-I360 PolarHBondContact O-N 3.37Å
361P49.3Very low63Low97 Ų97104.5 Ų104.563%0.6358%0.58SS**PPolyproline II helixtrans-64.6129.2161.725.2-28.9000108K359 G363K359-P361 WeakPolarHBondContact O-CD 3.32Å; P361-G363 PolarHBondContact O-N 2.79Å; P361-G363 VanDerWaalsContact O-N 3.09Å
362P36.5Very low61.5Low136 Ų136110.3 Ų110.388%0.88361%0.612SS**THydrogen-bonded Turntrans-60.4116.9-175.222.3-31.2000110.4
363G50.6Low59.7Low72 Ų72113.1 Ų113.174%0.74264%0.635SS**THydrogen-bonded Turntrans138.7-7.6174.100000117.6P361P361-G363 PolarHBondContact O-N 2.79Å; P361-G363 VanDerWaalsContact O-N 3.09Å
364A48.8Very low57.7Low73 Ų73112.7 Ų112.760%0.60364%0.64SS**  trans-87.8-0.8-172.800000116K366A364-K366 PolarHBondContact O-N 3.18Å
365D42.2Very low55.7Low139 Ų139118.9 Ų118.974%0.74367%0.669SS**SBendtrans-80.710.8-174-66.8-22.3000114.5
366K36.4Very low53.4Low189 Ų189127.3 Ų127.382%0.82272%0.718SS**  trans-130.494.9172.7-68.6-175.4-179.5-179.40109.4A364A364-K366 PolarHBondContact O-N 3.18Å
367I33.5Very low51Low247 Ų247133.2 Ų133.2100%1.26774%0.743SS**  trans-170.30138.9-86144000107.9

Retrieved 367 of 367 residues in 436.7 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).