A0A5K4FC08_SCHMA Loading...

HSCB_C domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FC08, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 168 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M59.2Low65.7Low87 Ų87110.4 Ų110.443%0.42951%0.511SS..  0-67.20-153.2-173.8-163.700113.5R3 T4 Q5 N32 Y35M1-R3 PolarHBondContact O-N 3.03Å; M1-R3 VanDerWaalsContact O-N 3.14Å; M1-T4 PolarHBondContact O-N 3.09Å; M1-Q5 WeakPolarHBondContact O-CB 3.33Å; M1-Q5 PolarHBondContact O-N 3.22Å; M1-N32 VanDerWaalsContact CE-OD1 3.28Å; M1-N32 WeakPolarHBondContact CE-OD1 3.5Å; M1-Y35 HydrophobicContact CB-CD2 3.92Å; M1-Y35 HydrophobicContact CB-CE2 4.06Å; M1-Y35 HydrophobicContact CB-CG 4.25Å; M1-Y35 HydrophobicContact CE-CD1 3.69Å; M1-Y35 HydrophobicContact CE-CE1 4.17Å; M1-Y35 HydrophobicContact CE-CG 4.23Å; M1-Y35 HydrophobicContact CG-CD1 4.32Å; M1-Y35 HydrophobicContact CG-CD2 4.28Å; M1-Y35 HydrophobicContact CG-CG 4.1Å; M1-Y35 HydrophobicContact SD-CD1 3.48Å; M1-Y35 WeakPolarHBondContact SD-CD1 3.08Å; M1-Y35 HydrophobicContact SD-CD2 4.29Å; M1-Y35 HydrophobicContact SD-CE1 3.51Å; M1-Y35 VanDerWaalsContact SD-CE1 3.51Å; M1-Y35 HydrophobicContact SD-CE2 4.32Å; M1-Y35 HydrophobicContact SD-CG 3.87Å
2R67.2Low65.9Low219 Ų219111.6 Ų111.683%0.82651%0.513SS*.Hα-helixtrans-54.2-38.2-170-69.9-176.5179.6177.80.3116.1K6R2-K6 VanDerWaalsContact O-CB 3.29Å; R2-K6 WeakPolarHBondContact O-CB 3.42Å; R2-K6 WeakPolarHBondContact O-CG 3.45Å; R2-K6 PolarHBondContact O-N 3.2Å
3R71.1Confident65.9Low222 Ų222106.7 Ų106.784%0.83849%0.49SS*.Hα-helixtrans-71.7-49179.2-74.1-175179.1-179.80.5112M1 K6 L7M1-R3 PolarHBondContact O-N 3.03Å; M1-R3 VanDerWaalsContact O-N 3.14Å; R3-K6 PolarHBondContact O-N 3.34Å; R3-L7 WeakPolarHBondContact O-CG 3.39Å; R3-L7 PolarHBondContact O-N 3.13Å
4T66.7Low66.1Low63 Ų63104.4 Ų104.439%0.38749%0.493SS..Hα-helixtrans-69.1-42.2-178.3-35.40000112.3M1 K6 L7 L8 V31M1-T4 PolarHBondContact O-N 3.09Å; T4-K6 VanDerWaalsContact C-N 3.3Å; T4-K6 PolarHBondContact O-N 2.96Å; T4-L7 WeakPolarHBondContact O-CB 3.44Å; T4-L7 PolarHBondContact O-N 2.83Å; T4-L8 HydrophobicContact CG2-CD1 4.06Å; T4-L8 PolarHBondContact O-N 3.41Å; T4-L8 VanDerWaalsContact O-N 3.1Å; T4-V31 HydrophobicContact CG2-CG1 4.33Å; T4-V31 HydrophobicContact CG2-CG2 3.8Å
5Q65.6Low66.6Low64 Ų64104 Ų10430%0.29951%0.514SS..Hα-helixtrans-65.4-33.5176.9-162.1179.89.400111.8M1 L7 L8 H9M1-Q5 WeakPolarHBondContact O-CB 3.33Å; M1-Q5 PolarHBondContact O-N 3.22Å; Q5-L7 PolarHBondContact O-N 3.43Å; Q5-L8 PolarHBondContact O-N 3.05Å; Q5-H9 WeakPolarHBondContact O-CB 3.46Å; Q5-H9 PolarHBondContact O-N 3.36Å
6K65.7Low67.3Low152 Ų152104.3 Ų104.366%0.66151%0.511SS*.Hα-helixtrans-66.6-22.5170.9-84.4-177.3176.8-170.60113.7R2 R3 T4 K12R2-K6 VanDerWaalsContact O-CB 3.29Å; R2-K6 WeakPolarHBondContact O-CB 3.42Å; R2-K6 WeakPolarHBondContact O-CG 3.45Å; R2-K6 PolarHBondContact O-N 3.2Å; R3-K6 PolarHBondContact O-N 3.34Å; T4-K6 VanDerWaalsContact C-N 3.3Å; T4-K6 PolarHBondContact O-N 2.96Å; K6-K12 WeakPolarHBondContact O-CD 3.41Å; K6-K12 WeakPolarHBondContact O-CE 3.27Å; K6-K12 PolarHBondContact O-NZ 3.5Å
7L67.1Low68.2Low113 Ų113102.9 Ų102.959%0.59251%0.51SS*.Hα-helixtrans-85.4-33.3177.5-70.4166.1000111.6R3 T4 Q5R3-L7 WeakPolarHBondContact O-CG 3.39Å; R3-L7 PolarHBondContact O-N 3.13Å; T4-L7 WeakPolarHBondContact O-CB 3.44Å; T4-L7 PolarHBondContact O-N 2.83Å; Q5-L7 PolarHBondContact O-N 3.43Å
8L64.9Low68.9Low39 Ų39103.8 Ų103.820%0.20451%0.513CS..Hα-helixtrans-104.17.3-174.2-61.3169.1000114.1T4 Q5 A27 V31T4-L8 HydrophobicContact CG2-CD1 4.06Å; T4-L8 PolarHBondContact O-N 3.41Å; T4-L8 VanDerWaalsContact O-N 3.1Å; Q5-L8 PolarHBondContact O-N 3.05Å; L8-A27 HydrophobicContact CD1-CB 3.86Å; L8-A27 HydrophobicContact CD2-CB 3.95Å; L8-A27 HydrophobicContact CG-CB 4.43Å; L8-V31 HydrophobicContact CD1-CG2 3.93Å
9H64.4Low69.7Low76 Ų76107.1 Ų107.135%0.35252%0.52SS..  trans-61.1133.7-177.7-163.3-96000111Q5 D11 K12Q5-H9 WeakPolarHBondContact O-CB 3.46Å; Q5-H9 PolarHBondContact O-N 3.36Å; H9-D11 IonicContact CE1-OD1 2.94Å; H9-D11 IonicContact CE1-OD2 2.8Å; H9-D11 PolarHBondContact CE1-OD2 3.03Å; H9-D11 VanDerWaalsContact ND1-CB 3.32Å; H9-D11 WeakPolarHBondContact ND1-CB 3.45Å; H9-D11 PolarHBondContact ND1-N 2.99Å; H9-D11 IonicContact ND1-OD1 3.04Å; H9-D11 IonicContact ND1-OD2 3.56Å; H9-D11 PolarHBondContact ND1-OD2 3.38Å; H9-D11 PolarHBondContact O-N 2.79Å; H9-K12 WeakPolarHBondContact O-CB 3.33Å; H9-K12 PolarHBondContact O-N 3.43Å
10P61.2Low70.3Confident64 Ų64105 Ų10542%0.41651%0.509SS..Hα-helixtrans-52.3-33.5-178.6-26.933.5000113.4K12 F13 S14P10-K12 PolarHBondContact O-N 3.35Å; P10-F13 CarbonylContact O-C 3.49Å; P10-F13 WeakPolarHBondContact O-CA 3.31Å; P10-F13 PolarHBondContact O-N 3.29Å; P10-S14 PolarHBondContact O-N 2.87Å
11D70.1Confident70.8Confident115 Ų115103.6 Ų103.662%0.61550%0.501SS*.Hα-helixtrans-58.1-31.3177.8-65.9-5.3000113.5H9 F13 S14H9-D11 IonicContact CE1-OD1 2.94Å; H9-D11 IonicContact CE1-OD2 2.8Å; H9-D11 PolarHBondContact CE1-OD2 3.03Å; H9-D11 VanDerWaalsContact ND1-CB 3.32Å; H9-D11 WeakPolarHBondContact ND1-CB 3.45Å; H9-D11 PolarHBondContact ND1-N 2.99Å; H9-D11 IonicContact ND1-OD1 3.04Å; H9-D11 IonicContact ND1-OD2 3.56Å; H9-D11 PolarHBondContact ND1-OD2 3.38Å; H9-D11 PolarHBondContact O-N 2.79Å; D11-F13 PolarHBondContact O-N 3.42Å; D11-S14 WeakPolarHBondContact O-CB 3.5Å; D11-S14 PolarHBondContact O-N 2.86Å; D11-S14 PolarHBondContact O-OG 3.3Å
12K67.9Low72Confident125 Ų125104.2 Ų104.254%0.54350%0.502SS..Hα-helixtrans-73-18.9176.4-74.1-168.1169.1179.50113.3K6 H9 P10K6-K12 WeakPolarHBondContact O-CD 3.41Å; K6-K12 WeakPolarHBondContact O-CE 3.27Å; K6-K12 PolarHBondContact O-NZ 3.5Å; H9-K12 WeakPolarHBondContact O-CB 3.33Å; H9-K12 PolarHBondContact O-N 3.43Å; P10-K12 PolarHBondContact O-N 3.35Å
13F66.1Low72.9Confident48 Ų4898.4 Ų98.421%0.21149%0.488CS..Hα-helixtrans-108.55.2179.5-61.5-90.9000111.6P10 D11 A15 K16 E20 K21 A24P10-F13 CarbonylContact O-C 3.49Å; P10-F13 WeakPolarHBondContact O-CA 3.31Å; P10-F13 PolarHBondContact O-N 3.29Å; D11-F13 PolarHBondContact O-N 3.42Å; F13-A15 PolarHBondContact O-N 3.3Å; F13-A15 VanDerWaalsContact O-N 3.15Å; F13-K16 HydrophobicContact CB-CB 4.19Å; F13-K16 HydrophobicContact CB-CG 4.32Å; F13-K16 HydrophobicContact CD1-CB 4.31Å; F13-K16 HydrophobicContact CD1-CG 3.98Å; F13-K16 VanDerWaalsContact O-CB 3.29Å; F13-K16 WeakPolarHBondContact O-CB 3.41Å; F13-K16 PolarHBondContact O-N 3.24Å; F13-E20 HydrophobicContact CD1-CB 4.33Å; F13-K21 HydrophobicContact CB-CG 4.13Å; F13-K21 WeakPolarHBondContact O-CE 3.23Å; F13-K21 WeakPolarHBondContact O-CG 3.43Å; F13-A24 HydrophobicContact CB-CB 4.3Å; F13-A24 HydrophobicContact CD1-CB 4.14Å; F13-A24 HydrophobicContact CD2-CB 3.4Å; F13-A24 HydrophobicContact CE1-CB 4.35Å; F13-A24 HydrophobicContact CE2-CB 3.66Å; F13-A24 HydrophobicContact CG-CB 3.68Å; F13-A24 HydrophobicContact CZ-CB 4.13Å
14S68.9Low73.2Confident75 Ų7588.1 Ų88.152%0.52445%0.45SS..THydrogen-bonded Turntrans-55.3-33.3179.658.50000113.8P10 D11 K21P10-S14 PolarHBondContact O-N 2.87Å; D11-S14 WeakPolarHBondContact O-CB 3.5Å; D11-S14 PolarHBondContact O-N 2.86Å; D11-S14 PolarHBondContact O-OG 3.3Å; S14-K21 VanDerWaalsContact C-CE 3.47Å; S14-K21 WeakPolarHBondContact O-CE 3.43Å; S14-K21 PolarHBondContact O-NZ 3.08Å
15A73Confident74Confident98 Ų9888 Ų8881%0.8145%0.452SS*.THydrogen-bonded Turntrans-95.63.9176.400000114.4F13F13-A15 PolarHBondContact O-N 3.3Å; F13-A15 VanDerWaalsContact O-N 3.15Å
16K77.8Confident75Confident108 Ų10889.4 Ų89.447%0.4746%0.461SS..SBendtrans-93.6172.8-177.5-67.9-71.3-172.6169.60111.8F13 E20 K21F13-K16 HydrophobicContact CB-CB 4.19Å; F13-K16 HydrophobicContact CB-CG 4.32Å; F13-K16 HydrophobicContact CD1-CB 4.31Å; F13-K16 HydrophobicContact CD1-CG 3.98Å; F13-K16 VanDerWaalsContact O-CB 3.29Å; F13-K16 WeakPolarHBondContact O-CB 3.41Å; F13-K16 PolarHBondContact O-N 3.24Å; K16-E20 HydrophobicContact CB-CB 3.96Å; K16-E20 WeakPolarHBondContact CB-OE2 3.25Å; K16-K21 WeakPolarHBondContact O-CE 3.2Å
17T81.7Confident76Confident81 Ų8183.6 Ų83.650%0.49744%0.441SS..  trans-61.6155.1178.162.10000111.2Y19 E20 K21T17-Y19 PolarHBondContact O-N 3.03Å; T17-E20 PolarHBondContact N-OE2 3.12Å; T17-E20 PolarHBondContact O-N 2.97Å; T17-E20 VanDerWaalsContact O-N 3.12Å; T17-E20 VanDerWaalsContact OG1-CG 3.26Å; T17-E20 WeakPolarHBondContact OG1-CG 3.33Å; T17-E20 PolarHBondContact OG1-N 3.17Å; T17-E20 PolarHBondContact OG1-OE2 3.43Å; T17-K21 PolarHBondContact O-N 3.48Å
18Q82.1Confident76.7Confident119 Ų11978.9 Ų78.956%0.55642%0.418SS*.Hα-helixtrans-56.8-40.7179.1-177.36023.200111.9E20 K21 E22Q18-E20 PolarHBondContact O-N 2.66Å; Q18-K21 WeakPolarHBondContact O-CB 3.44Å; Q18-K21 PolarHBondContact O-N 3.37Å; Q18-E22 WeakPolarHBondContact CG-OE1 3.26Å; Q18-E22 PolarHBondContact NE2-OE1 3.45Å; Q18-E22 PolarHBondContact O-N 3.13Å
19Y84.6Confident77.7Confident167 Ų16779.7 Ų79.766%0.65543%0.43SS*.Hα-helixtrans-59.1-45.2175178.3-100.8000112.8T17 K21 E22 L23T17-Y19 PolarHBondContact O-N 3.03Å; Y19-K21 VanDerWaalsContact C-N 3.32Å; Y19-K21 PolarHBondContact O-N 3.17Å; Y19-E22 PolarHBondContact O-N 2.9Å; Y19-L23 WeakPolarHBondContact O-CB 3.37Å; Y19-L23 PolarHBondContact O-N 2.91Å
20E80.5Confident78.7Confident65 Ų6584.2 Ų84.230%0.30445%0.445SS..Hα-helixtrans-66.1-34.1177.3-73.4169.4121.100112.3F13 K16 T17 Q18 A24F13-E20 HydrophobicContact CD1-CB 4.33Å; K16-E20 HydrophobicContact CB-CB 3.96Å; K16-E20 WeakPolarHBondContact CB-OE2 3.25Å; T17-E20 PolarHBondContact N-OE2 3.12Å; T17-E20 PolarHBondContact O-N 2.97Å; T17-E20 VanDerWaalsContact O-N 3.12Å; T17-E20 VanDerWaalsContact OG1-CG 3.26Å; T17-E20 WeakPolarHBondContact OG1-CG 3.33Å; T17-E20 PolarHBondContact OG1-N 3.17Å; T17-E20 PolarHBondContact OG1-OE2 3.43Å; Q18-E20 PolarHBondContact O-N 2.66Å; E20-A24 VanDerWaalsContact O-CB 3.3Å; E20-A24 WeakPolarHBondContact O-CB 3.33Å; E20-A24 PolarHBondContact O-N 3.13Å
21K80.7Confident79.9Confident75 Ų7582.8 Ų82.833%0.32644%0.436SS..Hα-helixtrans-65.1-46174.4-72176.7-178.1-179.30111.8F13 S14 K16 T17 Q18 Y19 A24 S25F13-K21 HydrophobicContact CB-CG 4.13Å; F13-K21 WeakPolarHBondContact O-CE 3.23Å; F13-K21 WeakPolarHBondContact O-CG 3.43Å; S14-K21 VanDerWaalsContact C-CE 3.47Å; S14-K21 WeakPolarHBondContact O-CE 3.43Å; S14-K21 PolarHBondContact O-NZ 3.08Å; K16-K21 WeakPolarHBondContact O-CE 3.2Å; T17-K21 PolarHBondContact O-N 3.48Å; Q18-K21 WeakPolarHBondContact O-CB 3.44Å; Q18-K21 PolarHBondContact O-N 3.37Å; Y19-K21 VanDerWaalsContact C-N 3.32Å; Y19-K21 PolarHBondContact O-N 3.17Å; K21-A24 PolarHBondContact O-N 3.4Å; K21-S25 WeakPolarHBondContact O-CB 3.18Å; K21-S25 PolarHBondContact O-N 2.88Å
22E85.3Confident80.7Confident100 Ų10080 Ų8047%0.46742%0.421SS..Hα-helixtrans-61.7-48.3177.1-75168.5-167.100110.7Q18 Y19 A24 S25 D26Q18-E22 WeakPolarHBondContact CG-OE1 3.26Å; Q18-E22 PolarHBondContact NE2-OE1 3.45Å; Q18-E22 PolarHBondContact O-N 3.13Å; Y19-E22 PolarHBondContact O-N 2.9Å; E22-A24 VanDerWaalsContact C-N 3.33Å; E22-A24 PolarHBondContact O-N 2.89Å; E22-S25 WeakPolarHBondContact O-CB 3.35Å; E22-S25 PolarHBondContact O-N 3.48Å; E22-S25 VanDerWaalsContact O-N 3.14Å; E22-D26 PolarHBondContact O-N 2.73Å
23L85Confident81.6Confident98 Ų9881.6 Ų81.651%0.51343%0.427SS..Hα-helixtrans-59.3-41.9177-174.865.1000112.7Y19 A27Y19-L23 WeakPolarHBondContact O-CB 3.37Å; Y19-L23 PolarHBondContact O-N 2.91Å; L23-A27 VanDerWaalsContact O-CB 3.3Å; L23-A27 WeakPolarHBondContact O-CB 3.49Å; L23-A27 PolarHBondContact O-N 3.23Å
24A79.1Confident82.6Confident5 Ų581.8 Ų81.84%0.04144%0.438CS..Hα-helixtrans-66.8-40.1176.800000112.2F13 E20 K21 E22 A27 S28F13-A24 HydrophobicContact CB-CB 4.3Å; F13-A24 HydrophobicContact CD1-CB 4.14Å; F13-A24 HydrophobicContact CD2-CB 3.4Å; F13-A24 HydrophobicContact CE1-CB 4.35Å; F13-A24 HydrophobicContact CE2-CB 3.66Å; F13-A24 HydrophobicContact CG-CB 3.68Å; F13-A24 HydrophobicContact CZ-CB 4.13Å; E20-A24 VanDerWaalsContact O-CB 3.3Å; E20-A24 WeakPolarHBondContact O-CB 3.33Å; E20-A24 PolarHBondContact O-N 3.13Å; K21-A24 PolarHBondContact O-N 3.4Å; E22-A24 VanDerWaalsContact C-N 3.33Å; E22-A24 PolarHBondContact O-N 2.89Å; A24-A27 PolarHBondContact O-N 2.89Å; A24-S28 WeakPolarHBondContact O-CB 3.46Å; A24-S28 PolarHBondContact O-N 3.45Å
25S82.5Confident83.5Confident62 Ų6282.7 Ų82.743%0.43443%0.431SS..Hα-helixtrans-60.8-49.5175.1-177.50000111.1K21 E22 A27 S28 A29K21-S25 WeakPolarHBondContact O-CB 3.18Å; K21-S25 PolarHBondContact O-N 2.88Å; E22-S25 WeakPolarHBondContact O-CB 3.35Å; E22-S25 PolarHBondContact O-N 3.48Å; E22-S25 VanDerWaalsContact O-N 3.14Å; S25-A27 PolarHBondContact O-N 2.98Å; S25-S28 PolarHBondContact O-N 3.15Å; S25-A29 PolarHBondContact O-N 2.78Å
26D87.3Confident84.3Confident92 Ų9280.3 Ų80.349%0.49241%0.408SS..Hα-helixtrans-60.8-46.7178.1-72.5-11.5000111.2E22 S28 A29 Y30E22-D26 PolarHBondContact O-N 2.73Å; D26-S28 VanDerWaalsContact C-N 3.31Å; D26-S28 PolarHBondContact O-N 2.99Å; D26-A29 WeakPolarHBondContact O-CB 3.41Å; D26-A29 PolarHBondContact O-N 3.33Å; D26-A29 VanDerWaalsContact O-N 3.09Å; D26-Y30 WeakPolarHBondContact O-CD2 3.17Å; D26-Y30 PolarHBondContact O-N 3.32Å
27A85.3Confident84.8Confident30 Ų3076.3 Ų76.325%0.24839%0.394CS..Hα-helixtrans-60.3-40.817700000111.9L8 L23 A24 S25 A29 Y30 V31L8-A27 HydrophobicContact CD1-CB 3.86Å; L8-A27 HydrophobicContact CD2-CB 3.95Å; L8-A27 HydrophobicContact CG-CB 4.43Å; L23-A27 VanDerWaalsContact O-CB 3.3Å; L23-A27 WeakPolarHBondContact O-CB 3.49Å; L23-A27 PolarHBondContact O-N 3.23Å; A24-A27 PolarHBondContact O-N 2.89Å; S25-A27 PolarHBondContact O-N 2.98Å; A27-A29 VanDerWaalsContact C-N 3.34Å; A27-Y30 PolarHBondContact O-N 3.18Å; A27-V31 WeakPolarHBondContact O-CG2 3.17Å; A27-V31 PolarHBondContact O-N 3.18Å
28S81.8Confident85Confident14 Ų1476.7 Ų76.710%0.09839%0.392CS..Hα-helixtrans-64.5-39174.3-172.30000111.7A24 S25 D26 V31 N32A24-S28 WeakPolarHBondContact O-CB 3.46Å; A24-S28 PolarHBondContact O-N 3.45Å; S25-S28 PolarHBondContact O-N 3.15Å; D26-S28 VanDerWaalsContact C-N 3.31Å; D26-S28 PolarHBondContact O-N 2.99Å; S28-V31 PolarHBondContact O-N 2.8Å; S28-N32 WeakPolarHBondContact O-CB 3.49Å; S28-N32 VanDerWaalsContact O-CG 3.25Å; S28-N32 PolarHBondContact O-N 2.75Å; S28-N32 PolarHBondContact O-ND2 2.95Å
29A86Confident85.4Confident56 Ų5676.4 Ų76.446%0.46339%0.391SS..Hα-helixtrans-62.8-43.5175.700000111.5S25 D26 A27 V31 N32 K33S25-A29 PolarHBondContact O-N 2.78Å; D26-A29 WeakPolarHBondContact O-CB 3.41Å; D26-A29 PolarHBondContact O-N 3.33Å; D26-A29 VanDerWaalsContact O-N 3.09Å; A27-A29 VanDerWaalsContact C-N 3.34Å; A29-V31 PolarHBondContact O-N 2.56Å; A29-N32 PolarHBondContact O-N 2.83Å; A29-K33 WeakPolarHBondContact O-CB 3.36Å; A29-K33 PolarHBondContact O-N 3.38Å
30Y86.6Confident85.6Confident171 Ų17173.3 Ų73.367%0.67138%0.381SS*.Hα-helixtrans-59.9-44.9174-81.5-69000112.6D26 A27 N32 K33 A34D26-Y30 WeakPolarHBondContact O-CD2 3.17Å; D26-Y30 PolarHBondContact O-N 3.32Å; A27-Y30 PolarHBondContact O-N 3.18Å; Y30-N32 VanDerWaalsContact C-N 3.32Å; Y30-N32 PolarHBondContact O-N 3.33Å; Y30-K33 PolarHBondContact O-N 2.74Å; Y30-A34 WeakPolarHBondContact O-CB 3.24Å; Y30-A34 PolarHBondContact O-N 2.89Å
31V86.2Confident86Confident35 Ų3572.3 Ų72.321%0.21238%0.38CS..Hα-helixtrans-62.6-40.7177.8170.30000111.3T4 L8 A27 S28 A29 Y35T4-V31 HydrophobicContact CG2-CG1 4.33Å; T4-V31 HydrophobicContact CG2-CG2 3.8Å; L8-V31 HydrophobicContact CD1-CG2 3.93Å; A27-V31 WeakPolarHBondContact O-CG2 3.17Å; A27-V31 PolarHBondContact O-N 3.18Å; S28-V31 PolarHBondContact O-N 2.8Å; A29-V31 PolarHBondContact O-N 2.56Å; V31-Y35 WeakPolarHBondContact O-CB 3.25Å; V31-Y35 PolarHBondContact O-N 3.46Å
32N86Confident86.5Confident56 Ų5670 Ų7030%0.29937%0.372SS..Hα-helixtrans-66.4-42.4176.9-71.3-20.6000111.6M1 S28 A29 Y30 Y35 S36M1-N32 VanDerWaalsContact CE-OD1 3.28Å; M1-N32 WeakPolarHBondContact CE-OD1 3.5Å; S28-N32 WeakPolarHBondContact O-CB 3.49Å; S28-N32 VanDerWaalsContact O-CG 3.25Å; S28-N32 PolarHBondContact O-N 2.75Å; S28-N32 PolarHBondContact O-ND2 2.95Å; A29-N32 PolarHBondContact O-N 2.83Å; Y30-N32 VanDerWaalsContact C-N 3.32Å; Y30-N32 PolarHBondContact O-N 3.33Å; N32-Y35 PolarHBondContact O-N 3.01Å; N32-S36 PolarHBondContact O-N 2.75Å
33K87.4Confident86.8Confident158 Ų15868.3 Ų68.369%0.68736%0.364SS*.Hα-helixtrans-61.8-48.5176.6-173.8176.5-179.2179.30111.5A29 Y30 Y35 S36 C37A29-K33 WeakPolarHBondContact O-CB 3.36Å; A29-K33 PolarHBondContact O-N 3.38Å; Y30-K33 PolarHBondContact O-N 2.74Å; K33-Y35 VanDerWaalsContact C-N 3.3Å; K33-Y35 PolarHBondContact O-N 3.09Å; K33-S36 PolarHBondContact O-N 3.47Å; K33-C37 WeakPolarHBondContact O-CB 3.37Å; K33-C37 PolarHBondContact O-N 3.34Å
34A87.8Confident87.2Confident52 Ų5267.3 Ų67.343%0.4335%0.353SS..Hα-helixtrans-60-42.3176.500000111.4Y30 L38Y30-A34 WeakPolarHBondContact O-CB 3.24Å; Y30-A34 PolarHBondContact O-N 2.89Å; A34-L38 WeakPolarHBondContact O-CB 3.5Å; A34-L38 VanDerWaalsContact O-CG 3.24Å; A34-L38 WeakPolarHBondContact O-CG 3.41Å; A34-L38 PolarHBondContact O-N 3.46Å
35Y87.3Confident87.8Confident94 Ų9467.4 Ų67.437%0.36935%0.353SS..Hα-helixtrans-62.5-48.5176.9179.8-103.7000112.3M1 V31 N32 K33 C37 L38 Q39M1-Y35 HydrophobicContact CB-CD2 3.92Å; M1-Y35 HydrophobicContact CB-CE2 4.06Å; M1-Y35 HydrophobicContact CB-CG 4.25Å; M1-Y35 HydrophobicContact CE-CD1 3.69Å; M1-Y35 HydrophobicContact CE-CE1 4.17Å; M1-Y35 HydrophobicContact CE-CG 4.23Å; M1-Y35 HydrophobicContact CG-CD1 4.32Å; M1-Y35 HydrophobicContact CG-CD2 4.28Å; M1-Y35 HydrophobicContact CG-CG 4.1Å; M1-Y35 HydrophobicContact SD-CD1 3.48Å; M1-Y35 WeakPolarHBondContact SD-CD1 3.08Å; M1-Y35 HydrophobicContact SD-CD2 4.29Å; M1-Y35 HydrophobicContact SD-CE1 3.51Å; M1-Y35 VanDerWaalsContact SD-CE1 3.51Å; M1-Y35 HydrophobicContact SD-CE2 4.32Å; M1-Y35 HydrophobicContact SD-CG 3.87Å; V31-Y35 WeakPolarHBondContact O-CB 3.25Å; V31-Y35 PolarHBondContact O-N 3.46Å; N32-Y35 PolarHBondContact O-N 3.01Å; K33-Y35 VanDerWaalsContact C-N 3.3Å; K33-Y35 PolarHBondContact O-N 3.09Å; Y35-C37 PolarHBondContact O-N 3.14Å; Y35-L38 PolarHBondContact O-N 2.9Å; Y35-Q39 WeakPolarHBondContact O-CB 3.3Å; Y35-Q39 PolarHBondContact O-N 3.04Å; Y35-Q39 PolarHBondContact OH-NE2 3.38Å
36S88.5Confident88.3Confident49 Ų4966.8 Ų66.834%0.34334%0.343SS..Hα-helixtrans-58.2-47.5178.3-178.90000111.7N32 K33 Q39 K40N32-S36 PolarHBondContact O-N 2.75Å; K33-S36 PolarHBondContact O-N 3.47Å; S36-Q39 PolarHBondContact O-N 2.94Å; S36-K40 PolarHBondContact O-N 3.3Å
37C88.2Confident88.5Confident24 Ų2467.9 Ų67.916%0.16234%0.341CS..Hα-helixtrans-59.9-47.5178.7172.90000111.7K33 Y35 Q39 E43 R44K33-C37 WeakPolarHBondContact O-CB 3.37Å; K33-C37 PolarHBondContact O-N 3.34Å; Y35-C37 PolarHBondContact O-N 3.14Å; C37-Q39 VanDerWaalsContact C-N 3.25Å; C37-Q39 PolarHBondContact O-N 3.13Å; C37-E43 WeakPolarHBondContact CA-OE2 3.37Å; C37-R44 PolarHBondContact O-N 3.23Å
38L87.8Confident88.8Confident88 Ų8869 Ų6946%0.46134%0.343SS..Hα-helixtrans-73.1-17.3-179.8-65.4176.1000113.2A34 Y35 R44A34-L38 WeakPolarHBondContact O-CB 3.5Å; A34-L38 VanDerWaalsContact O-CG 3.24Å; A34-L38 WeakPolarHBondContact O-CG 3.41Å; A34-L38 PolarHBondContact O-N 3.46Å; Y35-L38 PolarHBondContact O-N 2.9Å; L38-R44 HydrophobicContact CD2-CG 4.14Å; L38-R44 PolarHBondContact O-NE 3.45Å; L38-R44 PolarHBondContact O-NH2 3.43Å
39Q89.1Confident89.3Confident114 Ų11468.4 Ų68.453%0.53334%0.338SS..Hα-helixtrans-77.8-35.4179.4-139.5-172.9-3.300112.3Y35 S36 C37 R44Y35-Q39 WeakPolarHBondContact O-CB 3.3Å; Y35-Q39 PolarHBondContact O-N 3.04Å; Y35-Q39 PolarHBondContact OH-NE2 3.38Å; S36-Q39 PolarHBondContact O-N 2.94Å; C37-Q39 VanDerWaalsContact C-N 3.25Å; C37-Q39 PolarHBondContact O-N 3.13Å; Q39-R44 PolarHBondContact O-NH2 3.45Å
40K88.7Confident89.5Confident102 Ų10271.9 Ų71.944%0.44334%0.344SS..SBendtrans-87.9124.8-177.9-66.4169.3179.6-175.50110.2S36 V42 E43 R44S36-K40 PolarHBondContact O-N 3.3Å; K40-V42 PolarHBondContact O-N 3.1Å; K40-E43 HydrophobicContact CB-CB 4.15Å; K40-E43 HydrophobicContact CB-CG 4.18Å; K40-E43 HydrophobicContact CD-CG 4.1Å; K40-E43 WeakPolarHBondContact CD-OE1 3.39Å; K40-E43 WeakPolarHBondContact CE-OE1 3.38Å; K40-E43 IonicContact NZ-OE1 3Å; K40-E43 PolarHBondContact NZ-OE1 2.91Å; K40-E43 PolarHBondContact O-N 3.14Å; K40-R44 VanDerWaalsContact O-CB 3.28Å; K40-R44 WeakPolarHBondContact O-CB 3.29Å; K40-R44 PolarHBondContact O-N 3.47Å
41P89.3Confident89.8Confident44 Ų4468.5 Ų68.529%0.28634%0.337SS..Hα-helixtrans-54.3-49-176.5-27.834.7000113.3R44 Y45 F141P41-R44 WeakPolarHBondContact O-CB 3.37Å; P41-R44 PolarHBondContact O-N 3.27Å; P41-Y45 HydrophobicContact CB-CD2 4.38Å; P41-Y45 HydrophobicContact CB-CE2 3.94Å; P41-Y45 WeakPolarHBondContact O-CD2 3.39Å; P41-Y45 PolarHBondContact O-N 2.89Å; P41-F141 HydrophobicContact CB-CE1 4.12Å; P41-F141 HydrophobicContact CB-CZ 3.97Å
42V91.3Very high90Very high26 Ų2671.3 Ų71.316%0.15835%0.348CS..Hα-helixtrans-58.8-55.8179.8-178.90000111.2K40 R44 Y45 E46 F141 R142 L145K40-V42 PolarHBondContact O-N 3.1Å; V42-R44 PolarHBondContact O-N 2.93Å; V42-Y45 PolarHBondContact O-N 2.73Å; V42-Y45 VanDerWaalsContact O-N 3.16Å; V42-E46 HydrophobicContact CG1-CG 4.19Å; V42-E46 WeakPolarHBondContact O-CB 3.45Å; V42-E46 WeakPolarHBondContact O-CG 3.26Å; V42-E46 PolarHBondContact O-N 2.86Å; V42-F141 HydrophobicContact CG2-CD1 3.89Å; V42-F141 HydrophobicContact CG2-CE1 3.75Å; V42-R142 HydrophobicContact CG1-CG 3.85Å; V42-R142 HydrophobicContact CG2-CG 4.22Å; V42-L145 HydrophobicContact CG2-CD2 3.66Å
43E91.3Very high90.2Very high64 Ų6472.1 Ų72.130%0.29937%0.369SS..Hα-helixtrans-60-36.1-179.4-64.7-178.2-160.600111.8C37 K40 Y47C37-E43 WeakPolarHBondContact CA-OE2 3.37Å; K40-E43 HydrophobicContact CB-CB 4.15Å; K40-E43 HydrophobicContact CB-CG 4.18Å; K40-E43 HydrophobicContact CD-CG 4.1Å; K40-E43 WeakPolarHBondContact CD-OE1 3.39Å; K40-E43 WeakPolarHBondContact CE-OE1 3.38Å; K40-E43 IonicContact NZ-OE1 3Å; K40-E43 PolarHBondContact NZ-OE1 2.91Å; K40-E43 PolarHBondContact O-N 3.14Å; E43-Y47 VanDerWaalsContact O-CB 3.23Å; E43-Y47 WeakPolarHBondContact O-CB 3.23Å; E43-Y47 PolarHBondContact O-N 2.93Å
44R94Very high90.2Very high77 Ų7766 Ų6629%0.29135%0.345SS..Hα-helixtrans-62.7-49.3176.4-177.2-164.9-57.5154.36.3111.3C37 L38 Q39 K40 P41 V42 L48 E119C37-R44 PolarHBondContact O-N 3.23Å; L38-R44 HydrophobicContact CD2-CG 4.14Å; L38-R44 PolarHBondContact O-NE 3.45Å; L38-R44 PolarHBondContact O-NH2 3.43Å; Q39-R44 PolarHBondContact O-NH2 3.45Å; K40-R44 VanDerWaalsContact O-CB 3.28Å; K40-R44 WeakPolarHBondContact O-CB 3.29Å; K40-R44 PolarHBondContact O-N 3.47Å; P41-R44 WeakPolarHBondContact O-CB 3.37Å; P41-R44 PolarHBondContact O-N 3.27Å; V42-R44 PolarHBondContact O-N 2.93Å; R44-L48 HydrophobicContact CG-CD1 4.31Å; R44-L48 WeakPolarHBondContact O-CG 3.5Å; R44-L48 PolarHBondContact O-N 3.39Å; R44-E119 IonicContact NH1-OE1 3.76Å
45Y92.5Very high90Very high7 Ų766.3 Ų66.33%0.02735%0.345CS..Hα-helixtrans-71.7-38.7-178-63.4-51000112.1P41 V42 Y47 L48 L49 E119 I122 I123 I126 L138P41-Y45 HydrophobicContact CB-CD2 4.38Å; P41-Y45 HydrophobicContact CB-CE2 3.94Å; P41-Y45 WeakPolarHBondContact O-CD2 3.39Å; P41-Y45 PolarHBondContact O-N 2.89Å; V42-Y45 PolarHBondContact O-N 2.73Å; V42-Y45 VanDerWaalsContact O-N 3.16Å; Y45-Y47 VanDerWaalsContact C-N 3.33Å; Y45-Y47 PolarHBondContact O-N 2.82Å; Y45-L48 HydrophobicContact CD1-CD1 4.28Å; Y45-L48 PolarHBondContact O-N 3.05Å; Y45-L49 WeakPolarHBondContact O-CG 3.4Å; Y45-L49 PolarHBondContact O-N 3.01Å; Y45-E119 HydrophobicContact CE2-CG 3.93Å; Y45-E119 WeakPolarHBondContact OH-CG 3.4Å; Y45-E119 PolarHBondContact OH-OE1 3.17Å; Y45-I122 HydrophobicContact CD1-CG2 3.51Å; Y45-I122 HydrophobicContact CD2-CD1 4.21Å; Y45-I122 HydrophobicContact CD2-CG2 4.06Å; Y45-I122 HydrophobicContact CE1-CG2 3.7Å; Y45-I122 HydrophobicContact CE2-CD1 4.4Å; Y45-I122 HydrophobicContact CE2-CG2 4.26Å; Y45-I122 HydrophobicContact CG-CG2 3.73Å; Y45-I123 HydrophobicContact CE1-CG1 4.27Å; Y45-I123 WeakPolarHBondContact OH-CG1 3.44Å; Y45-I126 HydrophobicContact CD1-CD1 3.6Å; Y45-I126 HydrophobicContact CE1-CD1 4.11Å; Y45-L138 HydrophobicContact CD2-CD1 4.23Å; Y45-L138 HydrophobicContact CG-CD1 4.46Å
46E91.7Very high89.8Confident49 Ų4962.6 Ų62.623%0.22933%0.332CS..Hα-helixtrans-60.3-45.1173.5-70.2-178.5158.600111V42 L48 L49 H50 T56 L138 R142V42-E46 HydrophobicContact CG1-CG 4.19Å; V42-E46 WeakPolarHBondContact O-CB 3.45Å; V42-E46 WeakPolarHBondContact O-CG 3.26Å; V42-E46 PolarHBondContact O-N 2.86Å; E46-L48 PolarHBondContact O-N 2.99Å; E46-L49 PolarHBondContact O-N 3.21Å; E46-H50 WeakPolarHBondContact O-CB 3.42Å; E46-H50 PolarHBondContact O-N 3.48Å; E46-T56 HydrophobicContact CB-CG2 4.19Å; E46-T56 HydrophobicContact CG-CG2 3.96Å; E46-L138 HydrophobicContact CG-CD2 3.75Å; E46-R142 IonicContact OE1-CZ 3.22Å; E46-R142 IonicContact OE1-NH1 2.71Å; E46-R142 PolarHBondContact OE1-NH1 3.04Å
47Y91.8Very high89.2Confident116 Ų11667 Ų6746%0.45535%0.351SS..Hα-helixtrans-63-41.7176.4-175.6-109.6000112.3E43 Y45 L49 H50 L51E43-Y47 VanDerWaalsContact O-CB 3.23Å; E43-Y47 WeakPolarHBondContact O-CB 3.23Å; E43-Y47 PolarHBondContact O-N 2.93Å; Y45-Y47 VanDerWaalsContact C-N 3.33Å; Y45-Y47 PolarHBondContact O-N 2.82Å; Y47-L49 PolarHBondContact O-N 2.9Å; Y47-H50 PolarHBondContact O-N 2.9Å; Y47-L51 HydrophobicContact CD1-CD1 4.04Å; Y47-L51 HydrophobicContact CD1-CG 4.44Å; Y47-L51 HydrophobicContact CE1-CD1 3.61Å; Y47-L51 HydrophobicContact CE1-CD2 4.43Å; Y47-L51 HydrophobicContact CE1-CG 4.09Å; Y47-L51 HydrophobicContact CE2-CD2 4.47Å; Y47-L51 WeakPolarHBondContact O-CG 3.34Å; Y47-L51 PolarHBondContact O-N 2.9Å
48L91.7Very high87.8Confident54 Ų5471.6 Ų71.628%0.28337%0.374SS..Hα-helixtrans-61.9-41.9175.8-78.5167.2000112.3R44 Y45 E46 L51 H52 I126R44-L48 HydrophobicContact CG-CD1 4.31Å; R44-L48 WeakPolarHBondContact O-CG 3.5Å; R44-L48 PolarHBondContact O-N 3.39Å; Y45-L48 HydrophobicContact CD1-CD1 4.28Å; Y45-L48 PolarHBondContact O-N 3.05Å; E46-L48 PolarHBondContact O-N 2.99Å; L48-L51 PolarHBondContact O-N 3.15Å; L48-H52 PolarHBondContact O-ND1 3.12Å; L48-I126 HydrophobicContact CD1-CD1 4.21Å
49L91.5Very high86.4Confident1 Ų169.2 Ų69.21%0.00536%0.363CS..Hα-helixtrans-67.1-42.2176.6-72.6171000111.6Y45 E46 Y47 L51 H52 G53 V54 T56 W131 A134 L135 L138Y45-L49 WeakPolarHBondContact O-CG 3.4Å; Y45-L49 PolarHBondContact O-N 3.01Å; E46-L49 PolarHBondContact O-N 3.21Å; Y47-L49 PolarHBondContact O-N 2.9Å; L49-L51 VanDerWaalsContact C-N 3.31Å; L49-L51 PolarHBondContact O-N 3.42Å; L49-H52 CarbonylContact O-C 3.42Å; L49-H52 WeakPolarHBondContact O-CA 3.36Å; L49-H52 PolarHBondContact O-N 3.42Å; L49-G53 PolarHBondContact O-N 2.98Å; L49-V54 CarbonylContact C-O 3.43Å; L49-V54 HydrophobicContact CB-CB 4.1Å; L49-V54 HydrophobicContact CB-CG1 4.4Å; L49-V54 HydrophobicContact CD2-CB 4.34Å; L49-V54 HydrophobicContact CD2-CG1 4.36Å; L49-V54 PolarHBondContact O-N 3.45Å; L49-T56 HydrophobicContact CB-CG2 4.16Å; L49-T56 HydrophobicContact CD1-CG2 3.96Å; L49-W131 HydrophobicContact CD2-CB 4.22Å; L49-W131 HydrophobicContact CD2-CE3 3.97Å; L49-A134 HydrophobicContact CD2-CB 4.15Å; L49-L135 HydrophobicContact CD1-CB 4.35Å; L49-L135 HydrophobicContact CD1-CD1 3.84Å; L49-L138 HydrophobicContact CD1-CD2 3.51Å
50H91.6Very high85Confident128 Ų12866.4 Ų66.459%0.59335%0.352SS*.Hα-helixtrans-58.5-41.6175.8-179.574.7000112.2E46 Y47 H52 G53 V54E46-H50 WeakPolarHBondContact O-CB 3.42Å; E46-H50 PolarHBondContact O-N 3.48Å; Y47-H50 PolarHBondContact O-N 2.9Å; H50-H52 PolarHBondContact O-N 3.49Å; H50-H52 VanDerWaalsContact O-N 3.15Å; H50-G53 PolarHBondContact O-N 3.21Å; H50-V54 PolarHBondContact N-O 3.41Å
51L92Very high83.7Confident100 Ų10062.8 Ų62.852%0.52434%0.336SS..Hα-helixtrans-60.3-22.8175.1-72.7176.8000113.4Y47 L48 L49Y47-L51 HydrophobicContact CD1-CD1 4.04Å; Y47-L51 HydrophobicContact CD1-CG 4.44Å; Y47-L51 HydrophobicContact CE1-CD1 3.61Å; Y47-L51 HydrophobicContact CE1-CD2 4.43Å; Y47-L51 HydrophobicContact CE1-CG 4.09Å; Y47-L51 HydrophobicContact CE2-CD2 4.47Å; Y47-L51 WeakPolarHBondContact O-CG 3.34Å; Y47-L51 PolarHBondContact O-N 2.9Å; L48-L51 PolarHBondContact O-N 3.15Å; L49-L51 VanDerWaalsContact C-N 3.31Å; L49-L51 PolarHBondContact O-N 3.42Å
52H91.7Very high82Confident95 Ų9569 Ų6944%0.4435%0.354SS..THydrogen-bonded Turntrans-100.614.4176.9-64.586.7000112.8L48 L49 H50 V54 W131L48-H52 PolarHBondContact O-ND1 3.12Å; L49-H52 CarbonylContact O-C 3.42Å; L49-H52 WeakPolarHBondContact O-CA 3.36Å; L49-H52 PolarHBondContact O-N 3.42Å; H50-H52 PolarHBondContact O-N 3.49Å; H50-H52 VanDerWaalsContact O-N 3.15Å; H52-V54 VanDerWaalsContact C-N 3.26Å; H52-V54 PolarHBondContact O-N 3.04Å; H52-W131 HydrophobicContact CB-CD2 3.94Å; H52-W131 HydrophobicContact CB-CE3 4.34Å; H52-W131 HydrophobicContact CB-CG 4.32Å; H52-W131 HydrophobicContact CB-CZ2 4.26Å; H52-W131 AromaticContact CD2-CE2 3.52Å; H52-W131 AromaticContact CD2-CH2 3.59Å; H52-W131 AromaticContact CD2-CZ2 3.1Å; H52-W131 WeakPolarHBondContact CD2-CZ2 3.41Å; H52-W131 AromaticContact CD2-NE1 3.99Å; H52-W131 AromaticContact CE1-CH2 3.31Å; H52-W131 WeakPolarHBondContact CE1-CH2 2.94Å; H52-W131 AromaticContact CE1-CZ2 3.7Å; H52-W131 AromaticContact CE1-CZ3 3.91Å; H52-W131 AromaticContact CG-CD2 3.99Å; H52-W131 AromaticContact CG-CE2 3.6Å; H52-W131 AromaticContact CG-CH2 3.67Å; H52-W131 AromaticContact CG-CZ2 3.47Å; H52-W131 VanDerWaalsContact CG-CZ2 3.47Å; H52-W131 AromaticContact CG-CZ3 4Å; H52-W131 AromaticContact ND1-CH2 3.51Å; H52-W131 AromaticContact ND1-CZ2 3.82Å; H52-W131 AromaticContact ND1-CZ3 3.71Å; H52-W131 AromaticContact NE2-CH2 3.38Å; H52-W131 WeakPolarHBondContact NE2-CH2 3.02Å; H52-W131 AromaticContact NE2-CZ2 3.28Å; H52-W131 VanDerWaalsContact NE2-CZ2 3.28Å; H52-W131 WeakPolarHBondContact NE2-CZ2 3.13Å
53G89.9Confident80.2Confident72 Ų7275 Ų7574%0.74238%0.378SS*.THydrogen-bonded Turntrans74.713.1177.400000114.2L49 H50L49-G53 PolarHBondContact O-N 2.98Å; H50-G53 PolarHBondContact O-N 3.21Å
54V86.5Confident78.7Confident30 Ų3073 Ų7318%0.18237%0.371CS..  trans-91.6117.8175.6-178.60000109.2L49 H50 H52 W131 L135L49-V54 CarbonylContact C-O 3.43Å; L49-V54 HydrophobicContact CB-CB 4.1Å; L49-V54 HydrophobicContact CB-CG1 4.4Å; L49-V54 HydrophobicContact CD2-CB 4.34Å; L49-V54 HydrophobicContact CD2-CG1 4.36Å; L49-V54 PolarHBondContact O-N 3.45Å; H50-V54 PolarHBondContact N-O 3.41Å; H52-V54 VanDerWaalsContact C-N 3.26Å; H52-V54 PolarHBondContact O-N 3.04Å; V54-W131 HydrophobicContact CG2-CB 3.62Å; V54-W131 HydrophobicContact CG2-CG 4.3Å; V54-L135 HydrophobicContact CG1-CB 4.38Å; V54-L135 HydrophobicContact CG1-CD1 4.05Å; V54-L135 HydrophobicContact CG1-CD2 3.58Å; V54-L135 HydrophobicContact CG1-CG 4.23Å
55S84.4Confident77.1Confident59 Ų5976.9 Ų76.941%0.41340%0.397SS..  trans-78.5135172.5-177.90000110.6D57S55-D57 PolarHBondContact OG-N 3.04Å
56T82.3Confident76.3Confident16 Ų1678 Ų7810%0.09840%0.404CS..SBendtrans-98.1-4.6178.450.30000113.3E46 L49 L135 L138 R142E46-T56 HydrophobicContact CB-CG2 4.19Å; E46-T56 HydrophobicContact CG-CG2 3.96Å; L49-T56 HydrophobicContact CB-CG2 4.16Å; L49-T56 HydrophobicContact CD1-CG2 3.96Å; T56-L135 HydrophobicContact CG2-CD1 3.76Å; T56-L138 HydrophobicContact CG2-CD2 4.23Å; T56-R142 PolarHBondContact O-NH1 2.91Å
57D75.9Confident75.7Confident140 Ų14080.8 Ų80.875%0.74943%0.425SS*.THydrogen-bonded Turntrans-75.2-28.6-171-62.1-22.6000112.6S55S55-D57 PolarHBondContact OG-N 3.04Å
58D59.1Low75.3Confident121 Ų12181.9 Ų81.965%0.64743%0.434SS*.THydrogen-bonded Turntrans-1033.3-169.7-73.3-45.5000115.1D60 K63D58-D60 PolarHBondContact O-N 3.29Å; D58-K63 PolarHBondContact O-NZ 3.32Å
59V59.2Low74.9Confident39 Ų3979.9 Ų79.924%0.23642%0.423CS..  trans-97.890.3-170.2-171.40000109.3L135 S139 R142V59-L135 HydrophobicContact CB-CD1 4.4Å; V59-L135 HydrophobicContact CB-CD2 4.41Å; V59-L135 HydrophobicContact CB-CG 4.2Å; V59-L135 HydrophobicContact CG1-CG 4.15Å; V59-L135 HydrophobicContact CG2-CD1 3.84Å; V59-L135 HydrophobicContact CG2-CD2 3.29Å; V59-L135 HydrophobicContact CG2-CG 3.55Å; V59-S139 VanDerWaalsContact CG1-OG 3.23Å; V59-S139 WeakPolarHBondContact CG1-OG 3.24Å; V59-R142 PolarHBondContact O-NH2 3.19Å
60D59.2Low74.4Confident54 Ų5482.6 Ų82.629%0.28944%0.437SS..  trans-80.7118.6161.4-165.9-12000107.8D58 R62 K63D58-D60 PolarHBondContact O-N 3.29Å; D60-R62 PolarHBondContact O-N 3.22Å; D60-R62 WeakPolarHBondContact OD1-CB 3.26Å; D60-R62 VanDerWaalsContact OD1-CG 3.25Å; D60-R62 WeakPolarHBondContact OD1-CG 3.36Å; D60-R62 PolarHBondContact OD1-N 3.01Å; D60-R62 VanDerWaalsContact OD1-N 3.17Å; D60-R62 IonicContact OD1-NH1 3.84Å; D60-R62 WeakPolarHBondContact OD2-CD 3.47Å; D60-R62 IonicContact OD2-CZ 3.67Å; D60-R62 IonicContact OD2-NE 3.14Å; D60-R62 IonicContact OD2-NH1 3.3Å; D60-R62 PolarHBondContact OD2-NH1 3.33Å; D60-K63 WeakPolarHBondContact O-CB 3.38Å; D60-K63 PolarHBondContact O-N 3.18Å
61F61Low74.1Confident26 Ų2679.8 Ų79.811%0.11443%0.432CS..G310 helixtrans-55.9-20175.172.8-78.3000111.9K63 S64 F69 L70 Y143F61-K63 PolarHBondContact O-N 3.16Å; F61-S64 PolarHBondContact O-N 2.93Å; F61-S64 PolarHBondContact O-OG 3.08Å; F61-F69 HydrophobicContact CD2-CE1 4.34Å; F61-L70 HydrophobicContact CD2-CD2 4.21Å; F61-L70 HydrophobicContact CE2-CD2 3.7Å; F61-Y143 AromaticContact CD1-CD2 3.87Å; F61-Y143 HydrophobicContact CD1-CD2 3.87Å; F61-Y143 AromaticContact CE1-CD2 3.26Å; F61-Y143 HydrophobicContact CE1-CD2 3.26Å; F61-Y143 AromaticContact CE1-CE2 3.55Å; F61-Y143 HydrophobicContact CE1-CE2 3.55Å; F61-Y143 HydrophobicContact CE1-CG 4.38Å; F61-Y143 AromaticContact CE2-CD2 3.99Å; F61-Y143 HydrophobicContact CE2-CD2 3.99Å; F61-Y143 HydrophobicContact CE2-CE2 4.04Å; F61-Y143 HydrophobicContact CG-CD2 4.49Å; F61-Y143 AromaticContact CZ-CD2 3.34Å; F61-Y143 HydrophobicContact CZ-CD2 3.34Å; F61-Y143 AromaticContact CZ-CE2 3.23Å; F61-Y143 HydrophobicContact CZ-CE2 3.23Å; F61-Y143 HydrophobicContact CZ-CG 4.38Å
62R53.1Low73.8Confident174 Ų17478.3 Ų78.366%0.65742%0.422SS*.G310 helixtrans-57.8-16.3169.4-64-179.1-170.9113.7-4.6113.9D60D60-R62 PolarHBondContact O-N 3.22Å; D60-R62 WeakPolarHBondContact OD1-CB 3.26Å; D60-R62 VanDerWaalsContact OD1-CG 3.25Å; D60-R62 WeakPolarHBondContact OD1-CG 3.36Å; D60-R62 PolarHBondContact OD1-N 3.01Å; D60-R62 VanDerWaalsContact OD1-N 3.17Å; D60-R62 IonicContact OD1-NH1 3.84Å; D60-R62 WeakPolarHBondContact OD2-CD 3.47Å; D60-R62 IonicContact OD2-CZ 3.67Å; D60-R62 IonicContact OD2-NE 3.14Å; D60-R62 IonicContact OD2-NH1 3.3Å; D60-R62 PolarHBondContact OD2-NH1 3.33Å
63K54.4Low73.4Confident153 Ų15374.1 Ų74.167%0.66540%0.403SS*.G310 helixtrans-89.8-15.1174.9-63.9179.7-178.5167.30113.6D58 D60 F61 D65D58-K63 PolarHBondContact O-NZ 3.32Å; D60-K63 WeakPolarHBondContact O-CB 3.38Å; D60-K63 PolarHBondContact O-N 3.18Å; F61-K63 PolarHBondContact O-N 3.16Å; K63-D65 PolarHBondContact O-N 3.12Å
64S59.4Low73.3Confident22 Ų2277.1 Ų77.115%0.15440%0.4CS..SBendtrans-78.2116.4164.660.40000106.1F61 D66F61-S64 PolarHBondContact O-N 2.93Å; F61-S64 PolarHBondContact O-OG 3.08Å; S64-D66 PolarHBondContact O-N 2.96Å
65D60.8Low73.5Confident158 Ų15879.5 Ų79.585%0.84541%0.411SS*.  trans-63.832.3171.9-78.5-35.5000112.6K63 T67K63-D65 PolarHBondContact O-N 3.12Å; D65-T67 VanDerWaalsContact C-N 3.3Å; D65-T67 PolarHBondContact O-N 3.01Å
66D75.5Confident73.8Confident31 Ų3177 Ų7717%0.16639%0.393CS..  trans-85.178.5-176.3-170.71.9000110S64 E68 F69 L70 R140S64-D66 PolarHBondContact O-N 2.96Å; D66-E68 PolarHBondContact O-N 3.26Å; D66-E68 PolarHBondContact OD1-N 3.25Å; D66-F69 HydrophobicContact CB-CB 4.2Å; D66-F69 VanDerWaalsContact CG-CB 3.43Å; D66-F69 PolarHBondContact O-N 3.24Å; D66-F69 PolarHBondContact OD1-N 3.14Å; D66-F69 WeakPolarHBondContact OD2-CB 3.29Å; D66-L70 WeakPolarHBondContact O-CG 3.46Å; D66-L70 PolarHBondContact O-N 2.95Å; D66-R140 IonicContact OD2-CZ 3.57Å; D66-R140 IonicContact OD2-NE 3.44Å; D66-R140 PolarHBondContact OD2-NE 3.48Å; D66-R140 VanDerWaalsContact OD2-NE 3.07Å; D66-R140 IonicContact OD2-NH2 3.99Å; D66-R140 PolarHBondContact OD2-NH2 2.99Å
67T79.5Confident74.2Confident108 Ų10879.8 Ų79.866%0.66340%0.402SS*.Hα-helixtrans-59.2-32.9179.4-55.90000111.3D65 S71D65-T67 VanDerWaalsContact C-N 3.3Å; D65-T67 PolarHBondContact O-N 3.01Å; T67-S71 WeakPolarHBondContact O-CB 3.49Å; T67-S71 PolarHBondContact O-N 3.26Å
68E82.7Confident75Confident139 Ų13979.5 Ų79.565%0.6540%0.396SS*.Hα-helixtrans-65.9-53.2179.1-171.6166.9-15100110D66 L70 S71 E72D66-E68 PolarHBondContact O-N 3.26Å; D66-E68 PolarHBondContact OD1-N 3.25Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 3.43Å; E68-S71 PolarHBondContact O-N 2.95Å; E68-S71 VanDerWaalsContact O-N 3.13Å; E68-S71 PolarHBondContact O-OG 3.44Å; E68-E72 PolarHBondContact O-N 3.27Å; E68-E72 VanDerWaalsContact O-N 3.08Å
69F82.3Confident76.5Confident11 Ų1177.1 Ų77.15%0.04838%0.38CS..Hα-helixtrans-61.4-41177.7-179-106.5000112.9F61 D66 S71 E72 V73 R140 I144F61-F69 HydrophobicContact CD2-CE1 4.34Å; D66-F69 HydrophobicContact CB-CB 4.2Å; D66-F69 VanDerWaalsContact CG-CB 3.43Å; D66-F69 PolarHBondContact O-N 3.24Å; D66-F69 PolarHBondContact OD1-N 3.14Å; D66-F69 WeakPolarHBondContact OD2-CB 3.29Å; F69-S71 VanDerWaalsContact C-N 3.28Å; F69-S71 PolarHBondContact O-N 3.35Å; F69-E72 PolarHBondContact O-N 3.37Å; F69-V73 HydrophobicContact CD1-CG2 3.96Å; F69-V73 HydrophobicContact CD2-CG2 4.12Å; F69-V73 HydrophobicContact CE1-CG2 3.46Å; F69-V73 VanDerWaalsContact CE1-CG2 3.46Å; F69-V73 HydrophobicContact CE2-CG2 3.64Å; F69-V73 HydrophobicContact CG-CG2 4.27Å; F69-V73 HydrophobicContact CZ-CG2 3.27Å; F69-V73 VanDerWaalsContact O-CB 3.29Å; F69-V73 WeakPolarHBondContact O-CB 3.32Å; F69-V73 WeakPolarHBondContact O-CG2 3.48Å; F69-V73 PolarHBondContact O-N 3.04Å; F69-R140 HydrophobicContact CD1-CB 4.46Å; F69-R140 HydrophobicContact CD1-CG 3.76Å; F69-R140 HydrophobicContact CD2-CB 4.31Å; F69-R140 HydrophobicContact CD2-CG 3.99Å; F69-R140 HydrophobicContact CE1-CB 3.83Å; F69-R140 HydrophobicContact CE1-CG 3.57Å; F69-R140 HydrophobicContact CE2-CB 3.64Å; F69-R140 HydrophobicContact CE2-CG 3.81Å; F69-R140 HydrophobicContact CG-CG 3.96Å; F69-R140 VanDerWaalsContact CZ-CA 3.48Å; F69-R140 HydrophobicContact CZ-CB 3.37Å; F69-R140 HydrophobicContact CZ-CG 3.6Å; F69-I144 HydrophobicContact CE2-CD1 4.06Å; F69-I144 HydrophobicContact CE2-CG1 4.27Å; F69-I144 HydrophobicContact CZ-CD1 4.38Å; F69-I144 HydrophobicContact CZ-CG1 4.21Å
70L81.8Confident78.1Confident59 Ų5975.3 Ų75.331%0.30937%0.369SS..Hα-helixtrans-57.6-43176.1-78.9165.7000111.7F61 D66 E68 V73 M74F61-L70 HydrophobicContact CD2-CD2 4.21Å; F61-L70 HydrophobicContact CE2-CD2 3.7Å; D66-L70 WeakPolarHBondContact O-CG 3.46Å; D66-L70 PolarHBondContact O-N 2.95Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 3.43Å; L70-V73 PolarHBondContact O-N 3.48Å; L70-M74 WeakPolarHBondContact O-CB 3.35Å; L70-M74 VanDerWaalsContact O-CG 3.26Å; L70-M74 WeakPolarHBondContact O-CG 3.36Å; L70-M74 PolarHBondContact O-N 2.94Å
71S85.9Confident79.7Confident69 Ų6977.9 Ų77.948%0.48338%0.379SS..Hα-helixtrans-66.3-41.9179.976.20000112.3T67 E68 F69 M74 N75T67-S71 WeakPolarHBondContact O-CB 3.49Å; T67-S71 PolarHBondContact O-N 3.26Å; E68-S71 PolarHBondContact O-N 2.95Å; E68-S71 VanDerWaalsContact O-N 3.13Å; E68-S71 PolarHBondContact O-OG 3.44Å; F69-S71 VanDerWaalsContact C-N 3.28Å; F69-S71 PolarHBondContact O-N 3.35Å; S71-M74 PolarHBondContact O-N 3.37Å; S71-N75 PolarHBondContact O-N 3.34Å; S71-N75 VanDerWaalsContact O-N 3.1Å
72E85.7Confident81.1Confident69 Ų6981.4 Ų81.432%0.32240%0.396SS..Hα-helixtrans-64.3-45.3177.1-69.2-170.816500111.1E68 F69 M74 N75 I76 R114E68-E72 PolarHBondContact O-N 3.27Å; E68-E72 VanDerWaalsContact O-N 3.08Å; F69-E72 PolarHBondContact O-N 3.37Å; E72-M74 PolarHBondContact O-N 3.45Å; E72-N75 PolarHBondContact O-N 3.01Å; E72-I76 VanDerWaalsContact O-CG1 3.31Å; E72-I76 WeakPolarHBondContact O-CG1 3.48Å; E72-I76 PolarHBondContact O-N 3.09Å; E72-R114 IonicContact OE2-CZ 3.59Å; E72-R114 IonicContact OE2-NH1 2.82Å; E72-R114 PolarHBondContact OE2-NH1 3.03Å
73V83.7Confident82.9Confident6 Ų673.2 Ų73.24%0.03637%0.365CS..Hα-helixtrans-61.5-44.9178.7159.50000111.5F69 L70 N75 I76 R77 Y143F69-V73 HydrophobicContact CD1-CG2 3.96Å; F69-V73 HydrophobicContact CD2-CG2 4.12Å; F69-V73 HydrophobicContact CE1-CG2 3.46Å; F69-V73 VanDerWaalsContact CE1-CG2 3.46Å; F69-V73 HydrophobicContact CE2-CG2 3.64Å; F69-V73 HydrophobicContact CG-CG2 4.27Å; F69-V73 HydrophobicContact CZ-CG2 3.27Å; F69-V73 VanDerWaalsContact O-CB 3.29Å; F69-V73 WeakPolarHBondContact O-CB 3.32Å; F69-V73 WeakPolarHBondContact O-CG2 3.48Å; F69-V73 PolarHBondContact O-N 3.04Å; L70-V73 PolarHBondContact O-N 3.48Å; V73-N75 VanDerWaalsContact C-N 3.32Å; V73-N75 PolarHBondContact O-N 3.3Å; V73-I76 PolarHBondContact O-N 3.37Å; V73-R77 WeakPolarHBondContact O-CB 3.44Å; V73-R77 PolarHBondContact O-N 3.38Å; V73-Y143 HydrophobicContact CB-CD1 4.38Å; V73-Y143 HydrophobicContact CB-CE1 4.26Å; V73-Y143 HydrophobicContact CG1-CD1 3.44Å; V73-Y143 VanDerWaalsContact CG1-CD1 3.44Å; V73-Y143 HydrophobicContact CG1-CE1 2.96Å; V73-Y143 HydrophobicContact CG1-CE2 4.44Å; V73-Y143 HydrophobicContact CG1-CG 4.38Å; V73-Y143 VanDerWaalsContact CG1-CZ 3.49Å; V73-Y143 HydrophobicContact CG2-CD1 3.98Å; V73-Y143 HydrophobicContact CG2-CE1 4.35Å
74M86.7Confident84.6Confident136 Ų13667.3 Ų67.367%0.6734%0.341SS*.Hα-helixtrans-61-43.4178.1-75.1-176.179.100111.4L70 S71 E72 R77 E78L70-M74 WeakPolarHBondContact O-CB 3.35Å; L70-M74 VanDerWaalsContact O-CG 3.26Å; L70-M74 WeakPolarHBondContact O-CG 3.36Å; L70-M74 PolarHBondContact O-N 2.94Å; S71-M74 PolarHBondContact O-N 3.37Å; E72-M74 PolarHBondContact O-N 3.45Å; M74-R77 PolarHBondContact O-N 2.89Å; M74-E78 PolarHBondContact O-N 3.14Å
75N90.5Very high86Confident80 Ų8070.9 Ų70.943%0.42836%0.355SS..Hα-helixtrans-60.4-47.9177.1-177.1-4000111.7S71 E72 V73 R77 E78 K79S71-N75 PolarHBondContact O-N 3.34Å; S71-N75 VanDerWaalsContact O-N 3.1Å; E72-N75 PolarHBondContact O-N 3.01Å; V73-N75 VanDerWaalsContact C-N 3.32Å; V73-N75 PolarHBondContact O-N 3.3Å; N75-R77 VanDerWaalsContact C-N 3.27Å; N75-R77 PolarHBondContact O-N 3.48Å; N75-E78 PolarHBondContact O-N 3.28Å; N75-K79 WeakPolarHBondContact O-CG 3.43Å; N75-K79 PolarHBondContact O-N 3.25Å; N75-K79 WeakPolarHBondContact OD1-CE 3.45Å
76I90.4Very high87.3Confident5 Ų564 Ų643%0.02632%0.318CS..Hα-helixtrans-60.8-41177.5-65164.5000110.9E72 V73 E78 K79 V80 L107 L111 R114 V147E72-I76 VanDerWaalsContact O-CG1 3.31Å; E72-I76 WeakPolarHBondContact O-CG1 3.48Å; E72-I76 PolarHBondContact O-N 3.09Å; V73-I76 PolarHBondContact O-N 3.37Å; I76-E78 VanDerWaalsContact C-N 3.33Å; I76-E78 PolarHBondContact O-N 2.71Å; I76-K79 PolarHBondContact O-N 2.9Å; I76-V80 HydrophobicContact CG2-CG2 4.44Å; I76-V80 WeakPolarHBondContact O-CG2 3.39Å; I76-V80 PolarHBondContact O-N 2.86Å; I76-L107 HydrophobicContact CG2-CD1 4.42Å; I76-L111 HydrophobicContact CG2-CD2 3.54Å; I76-L111 HydrophobicContact CG2-CG 4.16Å; I76-R114 VanDerWaalsContact CD1-CD 3.44Å; I76-V147 HydrophobicContact CG2-CG1 3.96Å
77R91.4Very high87.9Confident75 Ų7562.9 Ų62.928%0.28331%0.313SS..Hα-helixtrans-64.1-41-179.6-149.7167.5-163.4-89.6-10.1111.5V73 M74 N75 V80 E81 Y143 E150V73-R77 WeakPolarHBondContact O-CB 3.44Å; V73-R77 PolarHBondContact O-N 3.38Å; M74-R77 PolarHBondContact O-N 2.89Å; N75-R77 VanDerWaalsContact C-N 3.27Å; N75-R77 PolarHBondContact O-N 3.48Å; R77-V80 PolarHBondContact O-N 2.82Å; R77-E81 IonicContact NH1-OE1 3.95Å; R77-E81 WeakPolarHBondContact O-CG 3.47Å; R77-E81 PolarHBondContact O-N 3.02Å; R77-Y143 WeakPolarHBondContact CD-OH 3.48Å; R77-Y143 PolarHBondContact NE-OH 2.89Å; R77-E150 IonicContact CZ-OE2 3.01Å; R77-E150 IonicContact NE-OE2 2.72Å; R77-E150 IonicContact NH2-OE1 3.92Å; R77-E150 PolarHBondContact NH2-OE1 3.17Å; R77-E150 IonicContact NH2-OE2 3.27Å; R77-E150 PolarHBondContact NH2-OE2 3.49Å; R77-E150 VanDerWaalsContact NH2-OE2 3.14Å
78E92.1Very high88.2Confident134 Ų13461 Ų6163%0.62630%0.304SS*.Hα-helixtrans-61-45.7173.7-172.7173.9-166.500111.6M74 N75 I76 V80 E81 E82M74-E78 PolarHBondContact O-N 3.14Å; N75-E78 PolarHBondContact O-N 3.28Å; I76-E78 VanDerWaalsContact C-N 3.33Å; I76-E78 PolarHBondContact O-N 2.71Å; E78-V80 VanDerWaalsContact C-N 3.32Å; E78-V80 PolarHBondContact O-N 2.78Å; E78-E81 PolarHBondContact O-N 2.98Å; E78-E82 PolarHBondContact O-N 2.93Å
79K91.9Very high88.4Confident71 Ų7157.5 Ų57.531%0.30929%0.289SS..Hα-helixtrans-59.7-41.3174.7-66.3-178.9-172.3-177.40112.5N75 I76 E82 V83 L107 E110N75-K79 WeakPolarHBondContact O-CG 3.43Å; N75-K79 PolarHBondContact O-N 3.25Å; N75-K79 WeakPolarHBondContact OD1-CE 3.45Å; I76-K79 PolarHBondContact O-N 2.9Å; K79-E82 PolarHBondContact O-N 2.91Å; K79-V83 WeakPolarHBondContact O-CB 3.4Å; K79-V83 WeakPolarHBondContact O-CG2 3.41Å; K79-V83 PolarHBondContact O-N 3.4Å; K79-L107 HydrophobicContact CB-CD1 3.91Å; K79-L107 HydrophobicContact CB-CD2 4.27Å; K79-L107 HydrophobicContact CD-CD1 4.12Å; K79-E110 IonicContact NZ-OE2 2.56Å; K79-E110 PolarHBondContact NZ-OE2 3.32Å
80V92.5Very high88.2Confident1 Ų159.1 Ų59.11%0.00630%0.298CS..Hα-helixtrans-63.9-45.4176.8169.30000110.6I76 R77 E78 E82 V83 I84 L107 L111 V147 L151I76-V80 HydrophobicContact CG2-CG2 4.44Å; I76-V80 WeakPolarHBondContact O-CG2 3.39Å; I76-V80 PolarHBondContact O-N 2.86Å; R77-V80 PolarHBondContact O-N 2.82Å; E78-V80 VanDerWaalsContact C-N 3.32Å; E78-V80 PolarHBondContact O-N 2.78Å; V80-E82 VanDerWaalsContact C-N 3.34Å; V80-E82 PolarHBondContact O-N 3.37Å; V80-V83 PolarHBondContact O-N 2.97Å; V80-I84 HydrophobicContact CG1-CD1 3.65Å; V80-I84 HydrophobicContact CG1-CG1 4.34Å; V80-I84 WeakPolarHBondContact O-CB 3.44Å; V80-I84 VanDerWaalsContact O-CG1 3.25Å; V80-I84 WeakPolarHBondContact O-CG1 3.29Å; V80-I84 PolarHBondContact O-N 3.2Å; V80-L107 HydrophobicContact CB-CD2 4.38Å; V80-L107 HydrophobicContact CG2-CD1 4.32Å; V80-L107 HydrophobicContact CG2-CD2 3.69Å; V80-L107 HydrophobicContact CG2-CG 4.27Å; V80-L111 HydrophobicContact CG2-CD1 4.28Å; V80-V147 HydrophobicContact CB-CG1 4.47Å; V80-V147 HydrophobicContact CG2-CG1 3.76Å; V80-L151 HydrophobicContact CG1-CB 4.12Å; V80-L151 HydrophobicContact CG1-CD1 4.23Å; V80-L151 HydrophobicContact CG2-CB 4.43Å
81E92.1Very high88Confident109 Ų10962.5 Ų62.551%0.50933%0.327SS..Hα-helixtrans-61.8-41177.1-73.6175.3-168.300111.9R77 E78 I84 H85R77-E81 IonicContact NH1-OE1 3.95Å; R77-E81 WeakPolarHBondContact O-CG 3.47Å; R77-E81 PolarHBondContact O-N 3.02Å; E78-E81 PolarHBondContact O-N 2.98Å; E81-I84 PolarHBondContact O-N 3.47Å; E81-H85 WeakPolarHBondContact O-CB 3.16Å; E81-H85 PolarHBondContact O-N 3.35Å
82E90.9Very high87.4Confident99 Ų9969.2 Ų69.246%0.46334%0.342SS..Hα-helixtrans-61.5-48.3175-168.9-169.2153.600111.5E78 K79 V80 I84 H85 D86 K95E78-E82 PolarHBondContact O-N 2.93Å; K79-E82 PolarHBondContact O-N 2.91Å; V80-E82 VanDerWaalsContact C-N 3.34Å; V80-E82 PolarHBondContact O-N 3.37Å; E82-I84 PolarHBondContact O-N 3.29Å; E82-H85 WeakPolarHBondContact O-CB 3.42Å; E82-H85 PolarHBondContact O-N 2.98Å; E82-D86 WeakPolarHBondContact O-CB 3.46Å; E82-D86 PolarHBondContact O-N 3.37Å; E82-K95 IonicContact OE1-NZ 2.8Å; E82-K95 PolarHBondContact OE1-NZ 3.48Å
83V89.8Confident86.8Confident2 Ų266.8 Ų66.81%0.01233%0.333CS..Hα-helixtrans-60.4-44.7176.9163.80000111.4K79 V80 H85 D86 V87 T103 I104 L107 L151K79-V83 WeakPolarHBondContact O-CB 3.4Å; K79-V83 WeakPolarHBondContact O-CG2 3.41Å; K79-V83 PolarHBondContact O-N 3.4Å; V80-V83 PolarHBondContact O-N 2.97Å; V83-H85 VanDerWaalsContact C-N 3.31Å; V83-H85 PolarHBondContact O-N 3.44Å; V83-D86 PolarHBondContact O-N 2.9Å; V83-V87 HydrophobicContact CG1-CG2 4.31Å; V83-V87 WeakPolarHBondContact O-CB 3Å; V83-V87 VanDerWaalsContact O-CG2 3.23Å; V83-V87 WeakPolarHBondContact O-CG2 3.48Å; V83-V87 PolarHBondContact O-N 2.89Å; V83-T103 HydrophobicContact CG2-CG2 3.73Å; V83-I104 HydrophobicContact CG1-CD1 4.17Å; V83-I104 HydrophobicContact CG1-CG1 3.48Å; V83-I104 VanDerWaalsContact CG1-CG1 3.48Å; V83-I104 HydrophobicContact CG2-CG1 4.48Å; V83-L107 HydrophobicContact CB-CD2 4.32Å; V83-L107 HydrophobicContact CG2-CD2 3.88Å; V83-L151 HydrophobicContact CG1-CD1 3.94Å
84I90.2Very high86.4Confident29 Ų2976.1 Ų76.115%0.14938%0.376CS..Hα-helixtrans-61.2-43.1177.7-74169.9000110.7V80 E81 E82 S88 Y154V80-I84 HydrophobicContact CG1-CD1 3.65Å; V80-I84 HydrophobicContact CG1-CG1 4.34Å; V80-I84 WeakPolarHBondContact O-CB 3.44Å; V80-I84 VanDerWaalsContact O-CG1 3.25Å; V80-I84 WeakPolarHBondContact O-CG1 3.29Å; V80-I84 PolarHBondContact O-N 3.2Å; E81-I84 PolarHBondContact O-N 3.47Å; E82-I84 PolarHBondContact O-N 3.29Å; I84-S88 WeakPolarHBondContact O-CB 3.3Å; I84-S88 PolarHBondContact O-N 3.43Å; I84-S88 PolarHBondContact O-OG 3.49Å; I84-Y154 HydrophobicContact CB-CE2 4.47Å; I84-Y154 HydrophobicContact CD1-CD2 3.71Å; I84-Y154 HydrophobicContact CD1-CE2 3.61Å; I84-Y154 HydrophobicContact CG1-CD1 4.43Å; I84-Y154 HydrophobicContact CG1-CD2 3.63Å; I84-Y154 HydrophobicContact CG1-CE2 3.84Å; I84-Y154 HydrophobicContact CG1-CG 3.95Å; I84-Y154 HydrophobicContact CG2-CD1 4.05Å; I84-Y154 HydrophobicContact CG2-CD2 4.27Å; I84-Y154 HydrophobicContact CG2-CE1 3.55Å; I84-Y154 HydrophobicContact CG2-CE2 3.8Å; I84-Y154 HydrophobicContact CG2-CG 4.38Å
85H89.7Confident85.9Confident98 Ų9872.2 Ų72.245%0.45436%0.355SS..Hα-helixtrans-62.9-46176.8175-86.3000111.5E81 E82 V83 S88 N89E81-H85 WeakPolarHBondContact O-CB 3.16Å; E81-H85 PolarHBondContact O-N 3.35Å; E82-H85 WeakPolarHBondContact O-CB 3.42Å; E82-H85 PolarHBondContact O-N 2.98Å; V83-H85 VanDerWaalsContact C-N 3.31Å; V83-H85 PolarHBondContact O-N 3.44Å; H85-S88 PolarHBondContact O-N 3.04Å; H85-N89 WeakPolarHBondContact O-CB 3.28Å; H85-N89 PolarHBondContact O-N 2.96Å; H85-N89 PolarHBondContact O-ND2 3.49Å
86D88.6Confident85.7Confident12 Ų1273.2 Ų73.26%0.06436%0.364CS..Hα-helixtrans-64.4-42.4179.1-78.4-26.5000112.3E82 V83 S88 N89 L90 S93 K95 L100E82-D86 WeakPolarHBondContact O-CB 3.46Å; E82-D86 PolarHBondContact O-N 3.37Å; V83-D86 PolarHBondContact O-N 2.9Å; D86-S88 VanDerWaalsContact C-N 3.33Å; D86-S88 PolarHBondContact O-N 3.4Å; D86-N89 CarbonylContact O-C 3.46Å; D86-N89 PolarHBondContact O-N 3.38Å; D86-L90 VanDerWaalsContact O-CA 3.27Å; D86-L90 WeakPolarHBondContact O-CA 3.43Å; D86-L90 PolarHBondContact O-N 3.2Å; D86-S93 VanDerWaalsContact CG-OG 3.24Å; D86-S93 VanDerWaalsContact OD1-CB 3.31Å; D86-S93 WeakPolarHBondContact OD1-CB 3.32Å; D86-S93 PolarHBondContact OD1-OG 3.31Å; D86-K95 WeakPolarHBondContact OD2-CD 3.26Å; D86-K95 WeakPolarHBondContact OD2-CE 3.3Å; D86-K95 IonicContact OD2-NZ 3.83Å; D86-K95 PolarHBondContact OD2-NZ 3.21Å; D86-L100 HydrophobicContact CB-CD1 3.63Å; D86-L100 HydrophobicContact CB-CD2 4.26Å
87V87.4Confident85.4Confident9 Ų975.8 Ų75.86%0.05538%0.38CS..Hα-helixtrans-62.1-43174.5170.30000110.5V83 L100 I104 A157 W158 L161V83-V87 HydrophobicContact CG1-CG2 4.31Å; V83-V87 WeakPolarHBondContact O-CB 3Å; V83-V87 VanDerWaalsContact O-CG2 3.23Å; V83-V87 WeakPolarHBondContact O-CG2 3.48Å; V83-V87 PolarHBondContact O-N 2.89Å; V87-L100 HydrophobicContact CG2-CD1 4.35Å; V87-L100 HydrophobicContact CG2-CD2 3.82Å; V87-L100 HydrophobicContact CG2-CG 4.32Å; V87-I104 HydrophobicContact CG2-CD1 3.89Å; V87-A157 HydrophobicContact CG1-CB 3.73Å; V87-W158 HydrophobicContact CG1-CB 4.07Å; V87-W158 HydrophobicContact CG2-CB 3.95Å; V87-W158 HydrophobicContact CG2-CE3 4.33Å; V87-L161 HydrophobicContact CB-CD1 4.46Å; V87-L161 HydrophobicContact CG1-CD1 3.99Å; V87-L161 WeakPolarHBondContact O-CD1 3.42Å
88S86.9Confident85.2Confident68 Ų6874.1 Ų74.148%0.47639%0.386SS..Hα-helixtrans-73.7-28.9-178.2-56.60000112.9I84 H85 D86I84-S88 WeakPolarHBondContact O-CB 3.3Å; I84-S88 PolarHBondContact O-N 3.43Å; I84-S88 PolarHBondContact O-OG 3.49Å; H85-S88 PolarHBondContact O-N 3.04Å; D86-S88 VanDerWaalsContact C-N 3.33Å; D86-S88 PolarHBondContact O-N 3.4Å
89N86.6Confident85.1Confident66 Ų6668.9 Ų68.935%0.35337%0.368SS..THydrogen-bonded Turntrans-127.145.9-173.7-62.2-71.4000112.3H85 D86 S91 R92 S93H85-N89 WeakPolarHBondContact O-CB 3.28Å; H85-N89 PolarHBondContact O-N 2.96Å; H85-N89 PolarHBondContact O-ND2 3.49Å; D86-N89 CarbonylContact O-C 3.46Å; D86-N89 PolarHBondContact O-N 3.38Å; N89-S91 PolarHBondContact O-N 2.95Å; N89-S91 VanDerWaalsContact O-N 3.09Å; N89-R92 HydrophobicContact CB-CB 4.24Å; N89-R92 CarbonylContact O-C 3.55Å; N89-R92 WeakPolarHBondContact O-CA 3.49Å; N89-R92 PolarHBondContact O-N 2.82Å; N89-S93 PolarHBondContact O-N 2.97Å
90L77.7Confident84.9Confident45 Ų4565.5 Ų65.524%0.23635%0.353CS..THydrogen-bonded Turntrans-53.7-36.9-175-173.670.6000113.3D86 R92 S93 V97 L100 L161D86-L90 VanDerWaalsContact O-CA 3.27Å; D86-L90 WeakPolarHBondContact O-CA 3.43Å; D86-L90 PolarHBondContact O-N 3.2Å; L90-R92 PolarHBondContact O-N 3.02Å; L90-S93 PolarHBondContact O-N 3.42Å; L90-V97 HydrophobicContact CD2-CG2 3.69Å; L90-L100 HydrophobicContact CD1-CD2 3.86Å; L90-L161 HydrophobicContact CD2-CD1 4.34Å; L90-L161 HydrophobicContact CD2-CD2 3.99Å
91S76.5Confident84.8Confident130 Ų13066.9 Ų66.991%0.90936%0.363SS*.THydrogen-bonded Turntrans-66.5-18.2177.763.70000114.3N89N89-S91 PolarHBondContact O-N 2.95Å; N89-S91 VanDerWaalsContact O-N 3.09Å
92R73.4Confident84.8Confident209 Ų20967 Ų6779%0.78937%0.367SS*.THydrogen-bonded Turntrans-107.2-15179.7-161.1173.8-172.8165.11.4112.2N89 L90N89-R92 HydrophobicContact CB-CB 4.24Å; N89-R92 CarbonylContact O-C 3.55Å; N89-R92 WeakPolarHBondContact O-CA 3.49Å; N89-R92 PolarHBondContact O-N 2.82Å; L90-R92 PolarHBondContact O-N 3.02Å
93S74.2Confident84.9Confident19 Ų1964.3 Ų64.313%0.13336%0.357CS..SBendtrans-70142.2171.4-174.30000109.9D86 N89 L90 K95D86-S93 VanDerWaalsContact CG-OG 3.24Å; D86-S93 VanDerWaalsContact OD1-CB 3.31Å; D86-S93 WeakPolarHBondContact OD1-CB 3.32Å; D86-S93 PolarHBondContact OD1-OG 3.31Å; N89-S93 PolarHBondContact O-N 2.97Å; L90-S93 PolarHBondContact O-N 3.42Å; S93-K95 PolarHBondContact O-N 3.1Å; S93-K95 WeakPolarHBondContact OG-CB 3.43Å; S93-K95 PolarHBondContact OG-N 3.37Å
94E74.4Confident85Confident201 Ų20164.2 Ų64.294%0.93936%0.357SS*.SBendtrans-74.7-10170.2-63.5-176.8154.500111.7
95K77.7Confident85.1Confident54 Ų5465.3 Ų65.324%0.23537%0.367CS..SBendtrans-83.3139.9-176.4-64.7-177.3-171.8150.10111.9E82 D86 S93E82-K95 IonicContact OE1-NZ 2.8Å; E82-K95 PolarHBondContact OE1-NZ 3.48Å; D86-K95 WeakPolarHBondContact OD2-CD 3.26Å; D86-K95 WeakPolarHBondContact OD2-CE 3.3Å; D86-K95 IonicContact OD2-NZ 3.83Å; D86-K95 PolarHBondContact OD2-NZ 3.21Å; S93-K95 PolarHBondContact O-N 3.1Å; S93-K95 WeakPolarHBondContact OG-CB 3.43Å; S93-K95 PolarHBondContact OG-N 3.37Å
96T85.3Confident85.2Confident101 Ų10167.3 Ų67.362%0.6238%0.377SS*.  trans-73.2159.416560.10000110G98 G99 L100T96-G98 PolarHBondContact O-N 2.93Å; T96-G98 VanDerWaalsContact O-N 3.17Å; T96-G99 PolarHBondContact O-N 3.27Å; T96-G99 VanDerWaalsContact O-N 3.08Å; T96-G99 PolarHBondContact OG1-N 2.8Å; T96-G99 VanDerWaalsContact OG1-N 3.13Å; T96-L100 PolarHBondContact O-N 2.99Å
97V85Confident85.5Confident60 Ų6067 Ų6736%0.36438%0.375SS..Hα-helixtrans-52.4-38172.3177.10000111.4L90 S101 L161 I163L90-V97 HydrophobicContact CD2-CG2 3.69Å; V97-S101 WeakPolarHBondContact O-CB 3.33Å; V97-S101 PolarHBondContact O-N 3.39Å; V97-L161 WeakPolarHBondContact CG1-O 3.31Å; V97-I163 HydrophobicContact CG1-CD1 4.31Å; V97-I163 HydrophobicContact CG1-CG1 3.78Å
98G86.5Confident85.7Confident40 Ų4066.9 Ų66.941%0.41237%0.374SS..Hα-helixtrans-63.5-51.7175.100000112.5T96 L100 S101 D102T96-G98 PolarHBondContact O-N 2.93Å; T96-G98 VanDerWaalsContact O-N 3.17Å; G98-L100 VanDerWaalsContact C-N 3.29Å; G98-L100 PolarHBondContact O-N 3.41Å; G98-S101 WeakPolarHBondContact O-CA 3.49Å; G98-S101 VanDerWaalsContact O-CB 3.3Å; G98-S101 WeakPolarHBondContact O-CB 3.49Å; G98-S101 PolarHBondContact O-N 3.14Å; G98-S101 VanDerWaalsContact O-N 3.09Å; G98-D102 PolarHBondContact O-N 2.95Å
99G88.9Confident86.1Confident23 Ų2365.5 Ų65.524%0.23737%0.37CS..Hα-helixtrans-62.4-35.9178.400000113.2T96 D102 T103T96-G99 PolarHBondContact O-N 3.27Å; T96-G99 VanDerWaalsContact O-N 3.08Å; T96-G99 PolarHBondContact OG1-N 2.8Å; T96-G99 VanDerWaalsContact OG1-N 3.13Å; G99-D102 PolarHBondContact O-N 3.31Å; G99-T103 WeakPolarHBondContact O-CB 3.44Å; G99-T103 PolarHBondContact O-N 3.48Å; G99-T103 PolarHBondContact O-OG1 3.46Å
100L89.1Confident86.4Confident0 Ų064.5 Ų64.50%036%0.364CS..Hα-helixtrans-67.7-40.3173.5-174.657.6000111.6D86 V87 L90 T96 G98 D102 T103 I104 I163D86-L100 HydrophobicContact CB-CD1 3.63Å; D86-L100 HydrophobicContact CB-CD2 4.26Å; V87-L100 HydrophobicContact CG2-CD1 4.35Å; V87-L100 HydrophobicContact CG2-CD2 3.82Å; V87-L100 HydrophobicContact CG2-CG 4.32Å; L90-L100 HydrophobicContact CD1-CD2 3.86Å; T96-L100 PolarHBondContact O-N 2.99Å; G98-L100 VanDerWaalsContact C-N 3.29Å; G98-L100 PolarHBondContact O-N 3.41Å; L100-D102 VanDerWaalsContact C-N 3.34Å; L100-D102 PolarHBondContact O-N 3.28Å; L100-T103 PolarHBondContact O-N 3.44Å; L100-I104 HydrophobicContact CD1-CD1 4.15Å; L100-I104 HydrophobicContact CD1-CG1 4.31Å; L100-I104 HydrophobicContact CG-CD1 3.86Å; L100-I104 HydrophobicContact CG-CG1 4.47Å; L100-I104 WeakPolarHBondContact O-CB 3.38Å; L100-I104 VanDerWaalsContact O-CG1 3.24Å; L100-I104 WeakPolarHBondContact O-CG1 3.48Å; L100-I104 PolarHBondContact O-N 2.99Å; L100-I163 HydrophobicContact CB-CD1 4.01Å; L100-I163 HydrophobicContact CD2-CD1 3.85Å; L100-I163 HydrophobicContact CG-CD1 3.77Å
101S90.6Very high87.1Confident31 Ų3162.3 Ų62.322%0.21735%0.352CS..Hα-helixtrans-59.5-43.5173.9-177.50000112.1V97 G98 S105V97-S101 WeakPolarHBondContact O-CB 3.33Å; V97-S101 PolarHBondContact O-N 3.39Å; G98-S101 WeakPolarHBondContact O-CA 3.49Å; G98-S101 VanDerWaalsContact O-CB 3.3Å; G98-S101 WeakPolarHBondContact O-CB 3.49Å; G98-S101 PolarHBondContact O-N 3.14Å; G98-S101 VanDerWaalsContact O-N 3.09Å; S101-S105 WeakPolarHBondContact O-CB 3.39Å; S101-S105 PolarHBondContact O-N 3.22Å; S101-S105 PolarHBondContact O-OG 2.78Å
102D92Very high87.9Confident111 Ų11160 Ų6059%0.59432%0.324SS*.Hα-helixtrans-64.9-45177.9-65.9-25.8000110.6G98 G99 L100 I104 S105 E106G98-D102 PolarHBondContact O-N 2.95Å; G99-D102 PolarHBondContact O-N 3.31Å; L100-D102 VanDerWaalsContact C-N 3.34Å; L100-D102 PolarHBondContact O-N 3.28Å; D102-I104 PolarHBondContact O-N 3.35Å; D102-S105 WeakPolarHBondContact O-CB 3.38Å; D102-S105 PolarHBondContact O-N 3.36Å; D102-E106 WeakPolarHBondContact O-CB 3.12Å; D102-E106 PolarHBondContact O-N 3.1Å
103T92Very high88.9Confident42 Ų4254.7 Ų54.726%0.25831%0.308SS..Hα-helixtrans-60.7-45.8177.8-51.70000111.6V83 G99 L100 S105 E106 L107V83-T103 HydrophobicContact CG2-CG2 3.73Å; G99-T103 WeakPolarHBondContact O-CB 3.44Å; G99-T103 PolarHBondContact O-N 3.48Å; G99-T103 PolarHBondContact O-OG1 3.46Å; L100-T103 PolarHBondContact O-N 3.44Å; T103-S105 VanDerWaalsContact C-N 3.34Å; T103-S105 PolarHBondContact O-N 3.07Å; T103-E106 PolarHBondContact O-N 3.37Å; T103-L107 WeakPolarHBondContact O-CB 3.37Å; T103-L107 PolarHBondContact O-N 3.48Å
104I91.7Very high89.8Confident0 Ų056.5 Ų56.50%031%0.311CS..Hα-helixtrans-63.4-42.6177.4-67.8163.8000110.3V83 V87 L100 D102 L107 V108 W158 I163 V165V83-I104 HydrophobicContact CG1-CD1 4.17Å; V83-I104 HydrophobicContact CG1-CG1 3.48Å; V83-I104 VanDerWaalsContact CG1-CG1 3.48Å; V83-I104 HydrophobicContact CG2-CG1 4.48Å; V87-I104 HydrophobicContact CG2-CD1 3.89Å; L100-I104 HydrophobicContact CD1-CD1 4.15Å; L100-I104 HydrophobicContact CD1-CG1 4.31Å; L100-I104 HydrophobicContact CG-CD1 3.86Å; L100-I104 HydrophobicContact CG-CG1 4.47Å; L100-I104 WeakPolarHBondContact O-CB 3.38Å; L100-I104 VanDerWaalsContact O-CG1 3.24Å; L100-I104 WeakPolarHBondContact O-CG1 3.48Å; L100-I104 PolarHBondContact O-N 2.99Å; D102-I104 PolarHBondContact O-N 3.35Å; I104-L107 PolarHBondContact O-N 3.39Å; I104-V108 HydrophobicContact CG2-CG2 4.22Å; I104-V108 WeakPolarHBondContact O-CB 3.2Å; I104-V108 VanDerWaalsContact O-CG2 3.26Å; I104-V108 WeakPolarHBondContact O-CG2 3.29Å; I104-V108 PolarHBondContact O-N 3.47Å; I104-W158 HydrophobicContact CD1-CB 3.91Å; I104-W158 HydrophobicContact CD1-CD2 4.03Å; I104-W158 HydrophobicContact CD1-CE3 4.08Å; I104-W158 HydrophobicContact CD1-CG 4.02Å; I104-W158 HydrophobicContact CG2-CD2 4.24Å; I104-W158 HydrophobicContact CG2-CE3 4.39Å; I104-W158 HydrophobicContact CG2-CH2 4.31Å; I104-W158 HydrophobicContact CG2-CZ2 4.09Å; I104-W158 HydrophobicContact CG2-CZ3 4.44Å; I104-I163 HydrophobicContact CD1-CD1 3.9Å; I104-I163 HydrophobicContact CD1-CG2 4.11Å; I104-V165 HydrophobicContact CB-CG2 4.35Å; I104-V165 HydrophobicContact CG2-CB 3.85Å; I104-V165 HydrophobicContact CG2-CG1 3.89Å; I104-V165 HydrophobicContact CG2-CG2 4.04Å
105S92.2Very high90.7Very high52 Ų5247.7 Ų47.736%0.36427%0.271SS..Hα-helixtrans-62.6-45.1179.5-59.60000111.8S101 D102 T103 G109 V165S101-S105 WeakPolarHBondContact O-CB 3.39Å; S101-S105 PolarHBondContact O-N 3.22Å; S101-S105 PolarHBondContact O-OG 2.78Å; D102-S105 WeakPolarHBondContact O-CB 3.38Å; D102-S105 PolarHBondContact O-N 3.36Å; T103-S105 VanDerWaalsContact C-N 3.34Å; T103-S105 PolarHBondContact O-N 3.07Å; S105-G109 PolarHBondContact O-N 2.9Å; S105-V165 WeakPolarHBondContact OG-CG2 3.38Å
106E93.3Very high91.5Very high141 Ų14149 Ų4966%0.65928%0.28SS*.Hα-helixtrans-62.6-46.9177.3-173.9174.9-167.400111.1D102 T103 G109 E110D102-E106 WeakPolarHBondContact O-CB 3.12Å; D102-E106 PolarHBondContact O-N 3.1Å; T103-E106 PolarHBondContact O-N 3.37Å; E106-G109 PolarHBondContact O-N 3.47Å; E106-E110 WeakPolarHBondContact O-CB 3.47Å; E106-E110 PolarHBondContact O-N 3.1Å
107L93.3Very high91.9Very high5 Ų547.1 Ų47.13%0.02627%0.267CS..Hα-helixtrans-64.9-42.5-179.7-175.459.4000112.6I76 K79 V80 V83 T103 I104 G109 E110 L111 L151I76-L107 HydrophobicContact CG2-CD1 4.42Å; K79-L107 HydrophobicContact CB-CD1 3.91Å; K79-L107 HydrophobicContact CB-CD2 4.27Å; K79-L107 HydrophobicContact CD-CD1 4.12Å; V80-L107 HydrophobicContact CB-CD2 4.38Å; V80-L107 HydrophobicContact CG2-CD1 4.32Å; V80-L107 HydrophobicContact CG2-CD2 3.69Å; V80-L107 HydrophobicContact CG2-CG 4.27Å; V83-L107 HydrophobicContact CB-CD2 4.32Å; V83-L107 HydrophobicContact CG2-CD2 3.88Å; T103-L107 WeakPolarHBondContact O-CB 3.37Å; T103-L107 PolarHBondContact O-N 3.48Å; I104-L107 PolarHBondContact O-N 3.39Å; L107-G109 VanDerWaalsContact C-N 3.31Å; L107-G109 PolarHBondContact O-N 2.9Å; L107-E110 PolarHBondContact O-N 3.41Å; L107-L111 HydrophobicContact CD1-CD1 4.36Å; L107-L111 HydrophobicContact CG-CD1 4.2Å; L107-L111 WeakPolarHBondContact O-CB 3.43Å; L107-L111 WeakPolarHBondContact O-CG 3.45Å; L107-L111 PolarHBondContact O-N 2.98Å; L107-L151 HydrophobicContact CD2-CD1 4.34Å; L107-L151 HydrophobicContact CD2-CD2 4.15Å; L107-L151 HydrophobicContact CG-CD2 4.19Å
108V93.6Very high92.2Very high7 Ų745.2 Ų45.24%0.04225%0.254CS..Hα-helixtrans-62.5-41.1173.91670000110.6I104 R112 F148 L151 V165 T167I104-V108 HydrophobicContact CG2-CG2 4.22Å; I104-V108 WeakPolarHBondContact O-CB 3.2Å; I104-V108 VanDerWaalsContact O-CG2 3.26Å; I104-V108 WeakPolarHBondContact O-CG2 3.29Å; I104-V108 PolarHBondContact O-N 3.47Å; V108-R112 WeakPolarHBondContact O-CB 3.44Å; V108-R112 WeakPolarHBondContact O-CG 3.33Å; V108-R112 PolarHBondContact O-N 3.24Å; V108-F148 HydrophobicContact CG1-CE2 4.08Å; V108-F148 HydrophobicContact CG1-CZ 4.42Å; V108-F148 HydrophobicContact CG2-CE2 4.39Å; V108-L151 HydrophobicContact CG2-CD2 3.78Å; V108-V165 HydrophobicContact CB-CG1 4.35Å; V108-V165 HydrophobicContact CG2-CG1 4.13Å; V108-T167 HydrophobicContact CG2-CG2 4.23Å
109G93.4Very high92.6Very high38 Ų3845.4 Ų45.439%0.39224%0.244SC..Hα-helixtrans-62.1-47.4175.200000112.5S105 E106 L107 L111 R112 Q113S105-G109 PolarHBondContact O-N 2.9Å; E106-G109 PolarHBondContact O-N 3.47Å; L107-G109 VanDerWaalsContact C-N 3.31Å; L107-G109 PolarHBondContact O-N 2.9Å; G109-L111 PolarHBondContact O-N 3.46Å; G109-R112 PolarHBondContact O-N 3.28Å; G109-Q113 WeakPolarHBondContact O-CB 3.26Å; G109-Q113 PolarHBondContact O-N 3.3Å
110E93.4Very high93Very high45 Ų4549.9 Ų49.921%0.2126%0.257CS..Hα-helixtrans-59.3-47.5177.6-172.4-179.2172.800111.2K79 E106 L107 Q113 R114K79-E110 IonicContact NZ-OE2 2.56Å; K79-E110 PolarHBondContact NZ-OE2 3.32Å; E106-E110 WeakPolarHBondContact O-CB 3.47Å; E106-E110 PolarHBondContact O-N 3.1Å; L107-E110 PolarHBondContact O-N 3.41Å; E110-Q113 PolarHBondContact O-N 3.25Å; E110-R114 WeakPolarHBondContact O-CB 3.31Å; E110-R114 VanDerWaalsContact O-CG 3.29Å; E110-R114 WeakPolarHBondContact O-CG 3.37Å; E110-R114 PolarHBondContact O-N 3.35Å; E110-R114 IonicContact OE1-CZ 3.97Å; E110-R114 IonicContact OE1-NE 3.08Å; E110-R114 PolarHBondContact OE1-NE 3.04Å; E110-R114 IonicContact OE1-NH2 2.73Å; E110-R114 PolarHBondContact OE1-NH2 2.95Å
111L93.5Very high93.2Very high0 Ų053.1 Ų53.10%027%0.274CS..Hα-helixtrans-63.1-43.8179.4-78.9167.3000112.6I76 V80 L107 G109 R114 L115 I144 V147 F148 L151I76-L111 HydrophobicContact CG2-CD2 3.54Å; I76-L111 HydrophobicContact CG2-CG 4.16Å; V80-L111 HydrophobicContact CG2-CD1 4.28Å; L107-L111 HydrophobicContact CD1-CD1 4.36Å; L107-L111 HydrophobicContact CG-CD1 4.2Å; L107-L111 WeakPolarHBondContact O-CB 3.43Å; L107-L111 WeakPolarHBondContact O-CG 3.45Å; L107-L111 PolarHBondContact O-N 2.98Å; G109-L111 PolarHBondContact O-N 3.46Å; L111-R114 PolarHBondContact O-N 2.87Å; L111-L115 WeakPolarHBondContact O-CG 3.32Å; L111-L115 PolarHBondContact O-N 2.9Å; L111-I144 HydrophobicContact CD2-CG2 3.85Å; L111-V147 HydrophobicContact CD2-CG1 4.31Å; L111-F148 HydrophobicContact CB-CD2 3.7Å; L111-F148 HydrophobicContact CB-CE2 4.27Å; L111-F148 HydrophobicContact CB-CG 4.44Å; L111-F148 HydrophobicContact CD1-CB 4.43Å; L111-F148 HydrophobicContact CD1-CD2 3.77Å; L111-F148 HydrophobicContact CG-CD2 4.31Å; L111-L151 HydrophobicContact CD1-CD2 3.86Å
112R93.4Very high93.4Very high82 Ų8251.7 Ų51.731%0.30926%0.264SS..Hα-helixtrans-63.5-45.2176.7-74.1-177.5-172.2-105.120.6111.6V108 G109 R114 L115 D116 F148 T166 T167 T168V108-R112 WeakPolarHBondContact O-CB 3.44Å; V108-R112 WeakPolarHBondContact O-CG 3.33Å; V108-R112 PolarHBondContact O-N 3.24Å; G109-R112 PolarHBondContact O-N 3.28Å; R112-R114 VanDerWaalsContact C-N 3.31Å; R112-R114 PolarHBondContact O-N 2.94Å; R112-L115 PolarHBondContact O-N 2.98Å; R112-D116 PolarHBondContact O-N 2.77Å; R112-F148 HydrophobicContact CG-CE2 4.38Å; R112-F148 HydrophobicContact CG-CZ 4.08Å; R112-T166 PolarHBondContact NH2-O 2.91Å; R112-T166 VanDerWaalsContact NH2-O 3.12Å; R112-T167 PolarHBondContact NH2-O 3.32Å; R112-T168 PolarHBondContact NH1-O 3.5Å; R112-T168 VanDerWaalsContact NH1-O 3.16Å; R112-T168 PolarHBondContact NH2-O 3.31Å; R112-T168 PolarHBondContact NH2-OXT 3.27Å
113Q93.4Very high93.5Very high96 Ų9650.8 Ų50.845%0.44926%0.257SS..Hα-helixtrans-60.3-43.3178.8-175.85853.900111.4G109 E110 L115 D116 D117G109-Q113 WeakPolarHBondContact O-CB 3.26Å; G109-Q113 PolarHBondContact O-N 3.3Å; E110-Q113 PolarHBondContact O-N 3.25Å; Q113-L115 PolarHBondContact O-N 3.32Å; Q113-D116 PolarHBondContact O-N 2.8Å; Q113-D117 PolarHBondContact NE2-OD1 3.27Å; Q113-D117 PolarHBondContact NE2-OD2 2.97Å; Q113-D117 WeakPolarHBondContact O-CB 3.29Å; Q113-D117 VanDerWaalsContact O-CG 3.26Å; Q113-D117 PolarHBondContact O-N 3.36Å
114R92.5Very high93.7Very high57 Ų5751 Ų5122%0.21526%0.261CS..Hα-helixtrans-64-40177.1-72.9172.5175.3-87.36112.7E72 I76 E110 L111 R112 D117 E118 I144E72-R114 IonicContact OE2-CZ 3.59Å; E72-R114 IonicContact OE2-NH1 2.82Å; E72-R114 PolarHBondContact OE2-NH1 3.03Å; I76-R114 VanDerWaalsContact CD1-CD 3.44Å; E110-R114 WeakPolarHBondContact O-CB 3.31Å; E110-R114 VanDerWaalsContact O-CG 3.29Å; E110-R114 WeakPolarHBondContact O-CG 3.37Å; E110-R114 PolarHBondContact O-N 3.35Å; E110-R114 IonicContact OE1-CZ 3.97Å; E110-R114 IonicContact OE1-NE 3.08Å; E110-R114 PolarHBondContact OE1-NE 3.04Å; E110-R114 IonicContact OE1-NH2 2.73Å; E110-R114 PolarHBondContact OE1-NH2 2.95Å; L111-R114 PolarHBondContact O-N 2.87Å; R112-R114 VanDerWaalsContact C-N 3.31Å; R112-R114 PolarHBondContact O-N 2.94Å; R114-D117 PolarHBondContact O-N 3.35Å; R114-E118 PolarHBondContact O-N 3.5Å; R114-I144 HydrophobicContact CB-CD1 4.25Å; R114-I144 HydrophobicContact CB-CG2 4.41Å
115L93.4Very high93.9Very high17 Ų1752.4 Ų52.49%0.08927%0.268CS..Hα-helixtrans-61-46.6173.4-73.8169000111.1L111 R112 Q113 D117 E118 E119 F141 I144 L145 F148L111-L115 WeakPolarHBondContact O-CG 3.32Å; L111-L115 PolarHBondContact O-N 2.9Å; R112-L115 PolarHBondContact O-N 2.98Å; Q113-L115 PolarHBondContact O-N 3.32Å; L115-D117 VanDerWaalsContact C-N 3.3Å; L115-D117 PolarHBondContact O-N 2.97Å; L115-E118 PolarHBondContact O-N 3.23Å; L115-E119 WeakPolarHBondContact O-CB 3.24Å; L115-E119 PolarHBondContact O-N 3Å; L115-F141 HydrophobicContact CB-CE2 3.99Å; L115-F141 HydrophobicContact CD2-CD1 4.41Å; L115-F141 HydrophobicContact CD2-CD2 3.83Å; L115-F141 HydrophobicContact CD2-CE1 4.24Å; L115-F141 HydrophobicContact CD2-CE2 3.65Å; L115-F141 HydrophobicContact CD2-CG 4.21Å; L115-F141 HydrophobicContact CD2-CZ 3.87Å; L115-F141 HydrophobicContact CG-CE2 4.44Å; L115-F141 WeakPolarHBondContact O-CE2 3.37Å; L115-I144 HydrophobicContact CD2-CB 3.87Å; L115-I144 HydrophobicContact CD2-CG2 3.71Å; L115-I144 HydrophobicContact CG-CB 4.43Å; L115-I144 HydrophobicContact CG-CG2 3.71Å; L115-L145 HydrophobicContact CD1-CD1 4.36Å; L115-L145 HydrophobicContact CD2-CB 4.09Å; L115-F148 HydrophobicContact CD1-CB 4.5Å; L115-F148 HydrophobicContact CD1-CD1 4.25Å; L115-F148 HydrophobicContact CD1-CG 4.45Å
116D94.9Very high93.9Very high81 Ų8151.5 Ų51.543%0.43326%0.259SS..Hα-helixtrans-62.7-37.7178.7-73.3-10.1000112.1R112 Q113 K120R112-D116 PolarHBondContact O-N 2.77Å; Q113-D116 PolarHBondContact O-N 2.8Å; D116-K120 VanDerWaalsContact O-CG 3.28Å; D116-K120 WeakPolarHBondContact O-CG 3.38Å; D116-K120 PolarHBondContact O-N 3.02Å; D116-K120 VanDerWaalsContact O-N 3.09Å
117D94.2Very high94Very high62 Ų6249 Ų4933%0.33226%0.258SS..Hα-helixtrans-73.1-43.1-179.7-68.1-27.1000112.2Q113 R114 L115 E119 K120 I121Q113-D117 PolarHBondContact NE2-OD1 3.27Å; Q113-D117 PolarHBondContact NE2-OD2 2.97Å; Q113-D117 WeakPolarHBondContact O-CB 3.29Å; Q113-D117 VanDerWaalsContact O-CG 3.26Å; Q113-D117 PolarHBondContact O-N 3.36Å; R114-D117 PolarHBondContact O-N 3.35Å; L115-D117 VanDerWaalsContact C-N 3.3Å; L115-D117 PolarHBondContact O-N 2.97Å; D117-E119 VanDerWaalsContact C-N 3.32Å; D117-E119 PolarHBondContact O-N 2.94Å; D117-K120 PolarHBondContact O-N 2.85Å; D117-K120 IonicContact OD1-NZ 2.78Å; D117-K120 PolarHBondContact OD1-NZ 3.17Å; D117-I121 WeakPolarHBondContact O-CG1 3.37Å; D117-I121 PolarHBondContact O-N 3.34Å; D117-I121 VanDerWaalsContact O-N 3.09Å
118E92Very high94.1Very high20 Ų2055.8 Ų55.89%0.09329%0.287CS..Hα-helixtrans-63.9-36.7171.4-78.6-67.3173.400111.7R114 L115 K120 I121 I122 S137 R140 F141 I144R114-E118 PolarHBondContact O-N 3.5Å; L115-E118 PolarHBondContact O-N 3.23Å; E118-K120 VanDerWaalsContact C-N 3.35Å; E118-K120 PolarHBondContact O-N 3.4Å; E118-I121 WeakPolarHBondContact O-CB 3.43Å; E118-I121 PolarHBondContact O-N 3.03Å; E118-I121 VanDerWaalsContact O-N 3.16Å; E118-I122 VanDerWaalsContact O-CG1 3.31Å; E118-I122 WeakPolarHBondContact O-CG1 3.5Å; E118-I122 PolarHBondContact O-N 3.41Å; E118-S137 WeakPolarHBondContact OE2-CB 3.47Å; E118-S137 PolarHBondContact OE2-OG 3.27Å; E118-R140 VanDerWaalsContact OE1-CD 3.22Å; E118-R140 WeakPolarHBondContact OE1-CD 3.13Å; E118-R140 IonicContact OE1-NH1 3.07Å; E118-R140 PolarHBondContact OE1-NH1 3.43Å; E118-F141 HydrophobicContact CB-CB 4.39Å; E118-F141 HydrophobicContact CB-CD2 4.17Å; E118-I144 HydrophobicContact CG-CD1 4Å
119E94.4Very high94.1Very high44 Ų4459 Ų5921%0.20631%0.309CS..Hα-helixtrans-60.5-43.7174.9-165.3179.2-152.100111.5R44 Y45 L115 D117 I121 I122 I123 F141R44-E119 IonicContact NH1-OE1 3.76Å; Y45-E119 HydrophobicContact CE2-CG 3.93Å; Y45-E119 WeakPolarHBondContact OH-CG 3.4Å; Y45-E119 PolarHBondContact OH-OE1 3.17Å; L115-E119 WeakPolarHBondContact O-CB 3.24Å; L115-E119 PolarHBondContact O-N 3Å; D117-E119 VanDerWaalsContact C-N 3.32Å; D117-E119 PolarHBondContact O-N 2.94Å; E119-I121 VanDerWaalsContact C-N 3.31Å; E119-I121 PolarHBondContact O-N 3.39Å; E119-I122 PolarHBondContact O-N 3.27Å; E119-I123 HydrophobicContact CG-CD1 4.14Å; E119-I123 VanDerWaalsContact O-CG1 3.27Å; E119-I123 WeakPolarHBondContact O-CG1 3.29Å; E119-I123 PolarHBondContact O-N 3.06Å; E119-F141 HydrophobicContact CB-CE2 4.11Å
120K95.9Very high94.1Very high116 Ų11660.5 Ų60.550%0.50431%0.308SS..Hα-helixtrans-61.2-39.5174.9-69.7165.4-157.4156.20111.9D116 D117 E118 I123 S124D116-K120 VanDerWaalsContact O-CG 3.28Å; D116-K120 WeakPolarHBondContact O-CG 3.38Å; D116-K120 PolarHBondContact O-N 3.02Å; D116-K120 VanDerWaalsContact O-N 3.09Å; D117-K120 PolarHBondContact O-N 2.85Å; D117-K120 IonicContact OD1-NZ 2.78Å; D117-K120 PolarHBondContact OD1-NZ 3.17Å; E118-K120 VanDerWaalsContact C-N 3.35Å; E118-K120 PolarHBondContact O-N 3.4Å; K120-I123 PolarHBondContact O-N 3.37Å; K120-S124 WeakPolarHBondContact O-CB 3.28Å; K120-S124 PolarHBondContact O-N 3.39Å
121I94.8Very high94Very high69 Ų6960.8 Ų60.835%0.35431%0.308SS..Hα-helixtrans-63.5-48.7177-66.4166.7000109.9D117 E118 E119 I123 S124 L125 S137D117-I121 WeakPolarHBondContact O-CG1 3.37Å; D117-I121 PolarHBondContact O-N 3.34Å; D117-I121 VanDerWaalsContact O-N 3.09Å; E118-I121 WeakPolarHBondContact O-CB 3.43Å; E118-I121 PolarHBondContact O-N 3.03Å; E118-I121 VanDerWaalsContact O-N 3.16Å; E119-I121 VanDerWaalsContact C-N 3.31Å; E119-I121 PolarHBondContact O-N 3.39Å; I121-I123 VanDerWaalsContact C-N 3.33Å; I121-I123 PolarHBondContact O-N 3.13Å; I121-S124 WeakPolarHBondContact O-CB 3.34Å; I121-S124 PolarHBondContact O-N 3.32Å; I121-S124 VanDerWaalsContact O-N 3.12Å; I121-L125 HydrophobicContact CG2-CD1 3.59Å; I121-L125 HydrophobicContact CG2-CG 4.25Å; I121-L125 VanDerWaalsContact O-CG 3.31Å; I121-L125 WeakPolarHBondContact O-CG 3.42Å; I121-L125 PolarHBondContact O-N 3.01Å; I121-S137 VanDerWaalsContact CG2-OG 3.29Å; I121-S137 WeakPolarHBondContact CG2-OG 3.45Å
122I93.9Very high93.7Very high1 Ų164 Ų641%0.00533%0.333CS..Hα-helixtrans-56.3-48.1176.8-65.5166000110.6Y45 E118 E119 S124 L125 I126 L138 F141Y45-I122 HydrophobicContact CD1-CG2 3.51Å; Y45-I122 HydrophobicContact CD2-CD1 4.21Å; Y45-I122 HydrophobicContact CD2-CG2 4.06Å; Y45-I122 HydrophobicContact CE1-CG2 3.7Å; Y45-I122 HydrophobicContact CE2-CD1 4.4Å; Y45-I122 HydrophobicContact CE2-CG2 4.26Å; Y45-I122 HydrophobicContact CG-CG2 3.73Å; E118-I122 VanDerWaalsContact O-CG1 3.31Å; E118-I122 WeakPolarHBondContact O-CG1 3.5Å; E118-I122 PolarHBondContact O-N 3.41Å; E119-I122 PolarHBondContact O-N 3.27Å; I122-S124 VanDerWaalsContact C-N 3.31Å; I122-S124 PolarHBondContact O-N 2.91Å; I122-L125 PolarHBondContact O-N 2.78Å; I122-I126 HydrophobicContact CG2-CD1 3.62Å; I122-I126 HydrophobicContact CG2-CG1 4.28Å; I122-I126 WeakPolarHBondContact O-CB 3.5Å; I122-I126 VanDerWaalsContact O-CG1 3.31Å; I122-I126 WeakPolarHBondContact O-CG1 3.25Å; I122-I126 PolarHBondContact O-N 2.96Å; I122-L138 HydrophobicContact CD1-CB 4.32Å; I122-L138 HydrophobicContact CD1-CD1 4.38Å; I122-F141 HydrophobicContact CD1-CB 3.94Å; I122-F141 HydrophobicContact CD1-CD2 4.46Å; I122-F141 HydrophobicContact CD1-CG 4.28Å
123I94.9Very high93.5Very high91 Ų9160.7 Ų60.747%0.46733%0.326SS..Hα-helixtrans-59.5-43.6178.4-67.6165.7000110.8Y45 E119 K120 I121 S127Y45-I123 HydrophobicContact CE1-CG1 4.27Å; Y45-I123 WeakPolarHBondContact OH-CG1 3.44Å; E119-I123 HydrophobicContact CG-CD1 4.14Å; E119-I123 VanDerWaalsContact O-CG1 3.27Å; E119-I123 WeakPolarHBondContact O-CG1 3.29Å; E119-I123 PolarHBondContact O-N 3.06Å; K120-I123 PolarHBondContact O-N 3.37Å; I121-I123 VanDerWaalsContact C-N 3.33Å; I121-I123 PolarHBondContact O-N 3.13Å; I123-S127 WeakPolarHBondContact O-CB 3.45Å; I123-S127 PolarHBondContact O-N 3.41Å
124S96.4Very high93.4Very high48 Ų4856.1 Ų56.134%0.33630%0.304SS..Hα-helixtrans-62.3-44.5177.4-167.60000112.1K120 I121 I122 S127 K128K120-S124 WeakPolarHBondContact O-CB 3.28Å; K120-S124 PolarHBondContact O-N 3.39Å; I121-S124 WeakPolarHBondContact O-CB 3.34Å; I121-S124 PolarHBondContact O-N 3.32Å; I121-S124 VanDerWaalsContact O-N 3.12Å; I122-S124 VanDerWaalsContact C-N 3.31Å; I122-S124 PolarHBondContact O-N 2.91Å; S124-S127 PolarHBondContact O-N 2.85Å; S124-S127 PolarHBondContact O-OG 3.33Å; S124-K128 WeakPolarHBondContact O-CG 3.47Å; S124-K128 PolarHBondContact O-N 3.03Å; S124-K128 PolarHBondContact OG-NZ 3.36Å
125L95Very high93.3Very high29 Ų2954.5 Ų54.515%0.15230%0.3CS..Hα-helixtrans-67.4-44.4-179.2-68.2167.5000111.7I121 I122 S127 K128 S129 D130 G133 A134I121-L125 HydrophobicContact CG2-CD1 3.59Å; I121-L125 HydrophobicContact CG2-CG 4.25Å; I121-L125 VanDerWaalsContact O-CG 3.31Å; I121-L125 WeakPolarHBondContact O-CG 3.42Å; I121-L125 PolarHBondContact O-N 3.01Å; I122-L125 PolarHBondContact O-N 2.78Å; L125-S127 VanDerWaalsContact C-N 3.3Å; L125-S127 PolarHBondContact O-N 2.86Å; L125-K128 CarbonylContact O-C 3.43Å; L125-K128 PolarHBondContact O-N 3.29Å; L125-S129 PolarHBondContact O-N 3.46Å; L125-S129 VanDerWaalsContact O-N 3.15Å; L125-D130 HydrophobicContact CB-CB 4.44Å; L125-D130 HydrophobicContact CD2-CB 4.11Å; L125-D130 PolarHBondContact O-N 3.08Å; L125-G133 VanDerWaalsContact CD1-C 3.5Å; L125-A134 HydrophobicContact CB-CB 3.95Å
126I93.3Very high93Very high32 Ų3256.9 Ų56.916%0.16431%0.312CS..Hα-helixtrans-59-42.6173.6-70.5174.3000110.7Y45 L48 I122 K128 S129 W131 A134Y45-I126 HydrophobicContact CD1-CD1 3.6Å; Y45-I126 HydrophobicContact CE1-CD1 4.11Å; L48-I126 HydrophobicContact CD1-CD1 4.21Å; I122-I126 HydrophobicContact CG2-CD1 3.62Å; I122-I126 HydrophobicContact CG2-CG1 4.28Å; I122-I126 WeakPolarHBondContact O-CB 3.5Å; I122-I126 VanDerWaalsContact O-CG1 3.31Å; I122-I126 WeakPolarHBondContact O-CG1 3.25Å; I122-I126 PolarHBondContact O-N 2.96Å; I126-K128 PolarHBondContact O-N 3Å; I126-S129 PolarHBondContact O-N 3.41Å; I126-W131 HydrophobicContact CB-CZ3 4.32Å; I126-W131 HydrophobicContact CG1-CZ3 4.19Å; I126-W131 HydrophobicContact CG2-CH2 4.36Å; I126-W131 HydrophobicContact CG2-CZ3 3.98Å; I126-A134 HydrophobicContact CG1-CB 3.95Å
127S94.5Very high92.8Very high90 Ų9053.3 Ų53.363%0.62929%0.293SS*.Hα-helixtrans-62.2-27.6178.478.70000113.2I123 S124 L125I123-S127 WeakPolarHBondContact O-CB 3.45Å; I123-S127 PolarHBondContact O-N 3.41Å; S124-S127 PolarHBondContact O-N 2.85Å; S124-S127 PolarHBondContact O-OG 3.33Å; L125-S127 VanDerWaalsContact C-N 3.3Å; L125-S127 PolarHBondContact O-N 2.86Å
128K95.8Very high92.6Very high147 Ų14750.3 Ų50.364%0.63928%0.277SS*.THydrogen-bonded Turntrans-91.52.7176.4-65.6170.1-175.1168.20113S124 L125 I126 D130S124-K128 WeakPolarHBondContact O-CG 3.47Å; S124-K128 PolarHBondContact O-N 3.03Å; S124-K128 PolarHBondContact OG-NZ 3.36Å; L125-K128 CarbonylContact O-C 3.43Å; L125-K128 PolarHBondContact O-N 3.29Å; I126-K128 PolarHBondContact O-N 3Å; K128-D130 PolarHBondContact O-N 2.85Å
129S93.9Very high92.4Very high73 Ų7349.6 Ų49.651%0.5127%0.274SS..THydrogen-bonded Turntrans57.425.8-172.5-52.60000113.9L125 I126 W131L125-S129 PolarHBondContact O-N 3.46Å; L125-S129 VanDerWaalsContact O-N 3.15Å; I126-S129 PolarHBondContact O-N 3.41Å; S129-W131 PolarHBondContact O-N 3.01Å; S129-W131 PolarHBondContact O-NE1 3.27Å
130D93.1Very high92.2Very high70 Ų7050.1 Ų50.137%0.37427%0.274SS..  trans-85.785.5172.6-175.7-1.3000109.7L125 K128 A132 G133 A134L125-D130 HydrophobicContact CB-CB 4.44Å; L125-D130 HydrophobicContact CD2-CB 4.11Å; L125-D130 PolarHBondContact O-N 3.08Å; K128-D130 PolarHBondContact O-N 2.85Å; D130-A132 PolarHBondContact OD1-N 3.3Å; D130-G133 PolarHBondContact OD1-N 3.08Å; D130-A134 VanDerWaalsContact O-CB 3.27Å; D130-A134 WeakPolarHBondContact O-CB 3.33Å; D130-A134 PolarHBondContact O-N 2.68Å
131W90.9Very high91.9Very high52 Ų5245.1 Ų45.120%0.19725%0.253CS..Hα-helixtrans-73-32.6-176.2-47.4116.9000113.1L49 H52 V54 I126 S129 L135L49-W131 HydrophobicContact CD2-CB 4.22Å; L49-W131 HydrophobicContact CD2-CE3 3.97Å; H52-W131 HydrophobicContact CB-CD2 3.94Å; H52-W131 HydrophobicContact CB-CE3 4.34Å; H52-W131 HydrophobicContact CB-CG 4.32Å; H52-W131 HydrophobicContact CB-CZ2 4.26Å; H52-W131 AromaticContact CD2-CE2 3.52Å; H52-W131 AromaticContact CD2-CH2 3.59Å; H52-W131 AromaticContact CD2-CZ2 3.1Å; H52-W131 WeakPolarHBondContact CD2-CZ2 3.41Å; H52-W131 AromaticContact CD2-NE1 3.99Å; H52-W131 AromaticContact CE1-CH2 3.31Å; H52-W131 WeakPolarHBondContact CE1-CH2 2.94Å; H52-W131 AromaticContact CE1-CZ2 3.7Å; H52-W131 AromaticContact CE1-CZ3 3.91Å; H52-W131 AromaticContact CG-CD2 3.99Å; H52-W131 AromaticContact CG-CE2 3.6Å; H52-W131 AromaticContact CG-CH2 3.67Å; H52-W131 AromaticContact CG-CZ2 3.47Å; H52-W131 VanDerWaalsContact CG-CZ2 3.47Å; H52-W131 AromaticContact CG-CZ3 4Å; H52-W131 AromaticContact ND1-CH2 3.51Å; H52-W131 AromaticContact ND1-CZ2 3.82Å; H52-W131 AromaticContact ND1-CZ3 3.71Å; H52-W131 AromaticContact NE2-CH2 3.38Å; H52-W131 WeakPolarHBondContact NE2-CH2 3.02Å; H52-W131 AromaticContact NE2-CZ2 3.28Å; H52-W131 VanDerWaalsContact NE2-CZ2 3.28Å; H52-W131 WeakPolarHBondContact NE2-CZ2 3.13Å; V54-W131 HydrophobicContact CG2-CB 3.62Å; V54-W131 HydrophobicContact CG2-CG 4.3Å; I126-W131 HydrophobicContact CB-CZ3 4.32Å; I126-W131 HydrophobicContact CG1-CZ3 4.19Å; I126-W131 HydrophobicContact CG2-CH2 4.36Å; I126-W131 HydrophobicContact CG2-CZ3 3.98Å; S129-W131 PolarHBondContact O-N 3.01Å; S129-W131 PolarHBondContact O-NE1 3.27Å; W131-L135 VanDerWaalsContact O-CB 3.3Å; W131-L135 WeakPolarHBondContact O-CB 3.23Å; W131-L135 PolarHBondContact O-N 2.97Å
132A87.8Confident91.7Very high66 Ų6644.9 Ų44.955%0.54525%0.247SC..Hα-helixtrans-69.6-45.9178.800000110.7D130 L135 I136D130-A132 PolarHBondContact OD1-N 3.3Å; A132-L135 PolarHBondContact O-N 3.48Å; A132-I136 WeakPolarHBondContact O-CG1 3.4Å; A132-I136 PolarHBondContact O-N 2.89Å
133G89Confident91.4Very high14 Ų1447 Ų4714%0.14426%0.256CS..Hα-helixtrans-61.3-46.9173.200000111.7L125 D130 L135 I136 S137L125-G133 VanDerWaalsContact CD1-C 3.5Å; D130-G133 PolarHBondContact OD1-N 3.08Å; G133-L135 PolarHBondContact O-N 3.02Å; G133-I136 PolarHBondContact O-N 3.16Å; G133-I136 VanDerWaalsContact O-N 3.13Å; G133-S137 PolarHBondContact O-N 2.97Å
134A91.8Very high91.2Very high0 Ų043 Ų430%024%0.235CC..Hα-helixtrans-59.3-35.8179.700000112.4L49 L125 I126 D130 L138L49-A134 HydrophobicContact CD2-CB 4.15Å; L125-A134 HydrophobicContact CB-CB 3.95Å; I126-A134 HydrophobicContact CG1-CB 3.95Å; D130-A134 VanDerWaalsContact O-CB 3.27Å; D130-A134 WeakPolarHBondContact O-CB 3.33Å; D130-A134 PolarHBondContact O-N 2.68Å; A134-L138 VanDerWaalsContact O-CB 3.24Å; A134-L138 WeakPolarHBondContact O-CB 3.34Å; A134-L138 PolarHBondContact O-N 2.72Å
135L89.2Confident91Very high22 Ų2242.7 Ų42.712%0.11523%0.23CC..Hα-helixtrans-67.2-38177.1-174.664.7000113L49 V54 T56 V59 W131 A132 G133 S139L49-L135 HydrophobicContact CD1-CB 4.35Å; L49-L135 HydrophobicContact CD1-CD1 3.84Å; V54-L135 HydrophobicContact CG1-CB 4.38Å; V54-L135 HydrophobicContact CG1-CD1 4.05Å; V54-L135 HydrophobicContact CG1-CD2 3.58Å; V54-L135 HydrophobicContact CG1-CG 4.23Å; T56-L135 HydrophobicContact CG2-CD1 3.76Å; V59-L135 HydrophobicContact CB-CD1 4.4Å; V59-L135 HydrophobicContact CB-CD2 4.41Å; V59-L135 HydrophobicContact CB-CG 4.2Å; V59-L135 HydrophobicContact CG1-CG 4.15Å; V59-L135 HydrophobicContact CG2-CD1 3.84Å; V59-L135 HydrophobicContact CG2-CD2 3.29Å; V59-L135 HydrophobicContact CG2-CG 3.55Å; W131-L135 VanDerWaalsContact O-CB 3.3Å; W131-L135 WeakPolarHBondContact O-CB 3.23Å; W131-L135 PolarHBondContact O-N 2.97Å; A132-L135 PolarHBondContact O-N 3.48Å; G133-L135 PolarHBondContact O-N 3.02Å; L135-S139 PolarHBondContact O-N 3.29Å; L135-S139 VanDerWaalsContact O-N 3.08Å; L135-S139 PolarHBondContact O-OG 2.89Å
136I87.8Confident90.8Very high68 Ų6847 Ų4735%0.34925%0.247SC..Hα-helixtrans-65.4-52.5174.6-65.6168000109.5A132 G133 L138 S139 R140A132-I136 WeakPolarHBondContact O-CG1 3.4Å; A132-I136 PolarHBondContact O-N 2.89Å; G133-I136 PolarHBondContact O-N 3.16Å; G133-I136 VanDerWaalsContact O-N 3.13Å; I136-L138 VanDerWaalsContact C-N 3.29Å; I136-L138 PolarHBondContact O-N 3.03Å; I136-S139 WeakPolarHBondContact O-CA 3.34Å; I136-S139 WeakPolarHBondContact O-CB 3.48Å; I136-S139 PolarHBondContact O-N 3.09Å; I136-R140 PolarHBondContact O-N 2.91Å
137S90.3Very high90.7Very high5 Ų545.6 Ų45.64%0.03524%0.24CC..Hα-helixtrans-60.8-36.4177.7-73.20000112.8E118 I121 G133 S139 R140 F141E118-S137 WeakPolarHBondContact OE2-CB 3.47Å; E118-S137 PolarHBondContact OE2-OG 3.27Å; I121-S137 VanDerWaalsContact CG2-OG 3.29Å; I121-S137 WeakPolarHBondContact CG2-OG 3.45Å; G133-S137 PolarHBondContact O-N 2.97Å; S137-S139 VanDerWaalsContact C-N 3.3Å; S137-S139 PolarHBondContact O-N 3.47Å; S137-R140 WeakPolarHBondContact O-CB 3.45Å; S137-R140 PolarHBondContact O-N 3.16Å; S137-F141 WeakPolarHBondContact O-CB 3.23Å; S137-F141 PolarHBondContact O-N 3.09Å
138L90.8Very high90.6Very high0 Ų041.9 Ų41.90%021%0.213CC..Hα-helixtrans-62.6-37.8173179.260.6000112.2Y45 E46 L49 T56 I122 A134 I136 F141 R142Y45-L138 HydrophobicContact CD2-CD1 4.23Å; Y45-L138 HydrophobicContact CG-CD1 4.46Å; E46-L138 HydrophobicContact CG-CD2 3.75Å; L49-L138 HydrophobicContact CD1-CD2 3.51Å; T56-L138 HydrophobicContact CG2-CD2 4.23Å; I122-L138 HydrophobicContact CD1-CB 4.32Å; I122-L138 HydrophobicContact CD1-CD1 4.38Å; A134-L138 VanDerWaalsContact O-CB 3.24Å; A134-L138 WeakPolarHBondContact O-CB 3.34Å; A134-L138 PolarHBondContact O-N 2.72Å; I136-L138 VanDerWaalsContact C-N 3.29Å; I136-L138 PolarHBondContact O-N 3.03Å; L138-F141 PolarHBondContact O-N 3.43Å; L138-R142 WeakPolarHBondContact O-CG 3.44Å; L138-R142 PolarHBondContact O-N 3.41Å
139S87.6Confident90.3Very high5 Ų539.6 Ų39.64%0.03520%0.204CC..Hα-helixtrans-68.5-38177-59.10000111.8V59 L135 I136 S137 R142 Y143V59-S139 VanDerWaalsContact CG1-OG 3.23Å; V59-S139 WeakPolarHBondContact CG1-OG 3.24Å; L135-S139 PolarHBondContact O-N 3.29Å; L135-S139 VanDerWaalsContact O-N 3.08Å; L135-S139 PolarHBondContact O-OG 2.89Å; I136-S139 WeakPolarHBondContact O-CA 3.34Å; I136-S139 WeakPolarHBondContact O-CB 3.48Å; I136-S139 PolarHBondContact O-N 3.09Å; S137-S139 VanDerWaalsContact C-N 3.3Å; S137-S139 PolarHBondContact O-N 3.47Å; S139-R142 PolarHBondContact O-N 2.88Å; S139-R142 PolarHBondContact OG-NH2 3.43Å; S139-Y143 PolarHBondContact O-N 3.05Å; S139-Y143 VanDerWaalsContact O-N 3.1Å
140R88.8Confident90.2Very high54 Ų5438.4 Ų38.420%0.20419%0.19CC..Hα-helixtrans-61.3-49.1170.4-64.3-172.7-172.2156.85.1111.9D66 F69 E118 I136 S137 R142 Y143 I144D66-R140 IonicContact OD2-CZ 3.57Å; D66-R140 IonicContact OD2-NE 3.44Å; D66-R140 PolarHBondContact OD2-NE 3.48Å; D66-R140 VanDerWaalsContact OD2-NE 3.07Å; D66-R140 IonicContact OD2-NH2 3.99Å; D66-R140 PolarHBondContact OD2-NH2 2.99Å; F69-R140 HydrophobicContact CD1-CB 4.46Å; F69-R140 HydrophobicContact CD1-CG 3.76Å; F69-R140 HydrophobicContact CD2-CB 4.31Å; F69-R140 HydrophobicContact CD2-CG 3.99Å; F69-R140 HydrophobicContact CE1-CB 3.83Å; F69-R140 HydrophobicContact CE1-CG 3.57Å; F69-R140 HydrophobicContact CE2-CB 3.64Å; F69-R140 HydrophobicContact CE2-CG 3.81Å; F69-R140 HydrophobicContact CG-CG 3.96Å; F69-R140 VanDerWaalsContact CZ-CA 3.48Å; F69-R140 HydrophobicContact CZ-CB 3.37Å; F69-R140 HydrophobicContact CZ-CG 3.6Å; E118-R140 VanDerWaalsContact OE1-CD 3.22Å; E118-R140 WeakPolarHBondContact OE1-CD 3.13Å; E118-R140 IonicContact OE1-NH1 3.07Å; E118-R140 PolarHBondContact OE1-NH1 3.43Å; I136-R140 PolarHBondContact O-N 2.91Å; S137-R140 WeakPolarHBondContact O-CB 3.45Å; S137-R140 PolarHBondContact O-N 3.16Å; R140-R142 VanDerWaalsContact C-N 3.34Å; R140-R142 PolarHBondContact O-N 3.4Å; R140-Y143 WeakPolarHBondContact O-CB 2.91Å; R140-Y143 PolarHBondContact O-N 3.47Å; R140-Y143 VanDerWaalsContact O-N 3.07Å; R140-I144 WeakPolarHBondContact O-CG1 3.49Å; R140-I144 PolarHBondContact O-N 3.44Å
141F91.2Very high90.1Very high11 Ų1135 Ų355%0.04817%0.173CC..Hα-helixtrans-56.8-45.9176.9-175.7-83.5000111.7P41 V42 L115 E118 E119 I122 S137 L138 Y143 I144 L145P41-F141 HydrophobicContact CB-CE1 4.12Å; P41-F141 HydrophobicContact CB-CZ 3.97Å; V42-F141 HydrophobicContact CG2-CD1 3.89Å; V42-F141 HydrophobicContact CG2-CE1 3.75Å; L115-F141 HydrophobicContact CB-CE2 3.99Å; L115-F141 HydrophobicContact CD2-CD1 4.41Å; L115-F141 HydrophobicContact CD2-CD2 3.83Å; L115-F141 HydrophobicContact CD2-CE1 4.24Å; L115-F141 HydrophobicContact CD2-CE2 3.65Å; L115-F141 HydrophobicContact CD2-CG 4.21Å; L115-F141 HydrophobicContact CD2-CZ 3.87Å; L115-F141 HydrophobicContact CG-CE2 4.44Å; L115-F141 WeakPolarHBondContact O-CE2 3.37Å; E118-F141 HydrophobicContact CB-CB 4.39Å; E118-F141 HydrophobicContact CB-CD2 4.17Å; E119-F141 HydrophobicContact CB-CE2 4.11Å; I122-F141 HydrophobicContact CD1-CB 3.94Å; I122-F141 HydrophobicContact CD1-CD2 4.46Å; I122-F141 HydrophobicContact CD1-CG 4.28Å; S137-F141 WeakPolarHBondContact O-CB 3.23Å; S137-F141 PolarHBondContact O-N 3.09Å; L138-F141 PolarHBondContact O-N 3.43Å; F141-Y143 VanDerWaalsContact C-N 3.29Å; F141-Y143 PolarHBondContact O-N 2.71Å; F141-I144 PolarHBondContact O-N 2.99Å; F141-L145 HydrophobicContact CE1-CD2 4.25Å; F141-L145 VanDerWaalsContact O-CB 3.29Å; F141-L145 WeakPolarHBondContact O-CB 3.41Å; F141-L145 PolarHBondContact O-N 3.37Å
142R89.7Confident90Very high64 Ų6437.1 Ų37.124%0.24218%0.18CC..Hα-helixtrans-58.5-40.7175.4-78.9-173.1-61.5-171.37.8112.1V42 E46 T56 V59 L138 S139 R140 L145 K146V42-R142 HydrophobicContact CG1-CG 3.85Å; V42-R142 HydrophobicContact CG2-CG 4.22Å; E46-R142 IonicContact OE1-CZ 3.22Å; E46-R142 IonicContact OE1-NH1 2.71Å; E46-R142 PolarHBondContact OE1-NH1 3.04Å; T56-R142 PolarHBondContact O-NH1 2.91Å; V59-R142 PolarHBondContact O-NH2 3.19Å; L138-R142 WeakPolarHBondContact O-CG 3.44Å; L138-R142 PolarHBondContact O-N 3.41Å; S139-R142 PolarHBondContact O-N 2.88Å; S139-R142 PolarHBondContact OG-NH2 3.43Å; R140-R142 VanDerWaalsContact C-N 3.34Å; R140-R142 PolarHBondContact O-N 3.4Å; R142-L145 PolarHBondContact O-N 2.8Å; R142-K146 WeakPolarHBondContact O-CB 3.02Å; R142-K146 PolarHBondContact O-N 3.01Å
143Y88.5Confident90.1Very high46 Ų4641.2 Ų41.218%0.1819%0.188CC..Hα-helixtrans-65.8-49.7178.8-164.9-76.6000111.7F61 V73 R77 S139 R140 F141 L145 K146 V147F61-Y143 AromaticContact CD1-CD2 3.87Å; F61-Y143 HydrophobicContact CD1-CD2 3.87Å; F61-Y143 AromaticContact CE1-CD2 3.26Å; F61-Y143 HydrophobicContact CE1-CD2 3.26Å; F61-Y143 AromaticContact CE1-CE2 3.55Å; F61-Y143 HydrophobicContact CE1-CE2 3.55Å; F61-Y143 HydrophobicContact CE1-CG 4.38Å; F61-Y143 AromaticContact CE2-CD2 3.99Å; F61-Y143 HydrophobicContact CE2-CD2 3.99Å; F61-Y143 HydrophobicContact CE2-CE2 4.04Å; F61-Y143 HydrophobicContact CG-CD2 4.49Å; F61-Y143 AromaticContact CZ-CD2 3.34Å; F61-Y143 HydrophobicContact CZ-CD2 3.34Å; F61-Y143 AromaticContact CZ-CE2 3.23Å; F61-Y143 HydrophobicContact CZ-CE2 3.23Å; F61-Y143 HydrophobicContact CZ-CG 4.38Å; V73-Y143 HydrophobicContact CB-CD1 4.38Å; V73-Y143 HydrophobicContact CB-CE1 4.26Å; V73-Y143 HydrophobicContact CG1-CD1 3.44Å; V73-Y143 VanDerWaalsContact CG1-CD1 3.44Å; V73-Y143 HydrophobicContact CG1-CE1 2.96Å; V73-Y143 HydrophobicContact CG1-CE2 4.44Å; V73-Y143 HydrophobicContact CG1-CG 4.38Å; V73-Y143 VanDerWaalsContact CG1-CZ 3.49Å; V73-Y143 HydrophobicContact CG2-CD1 3.98Å; V73-Y143 HydrophobicContact CG2-CE1 4.35Å; R77-Y143 WeakPolarHBondContact CD-OH 3.48Å; R77-Y143 PolarHBondContact NE-OH 2.89Å; S139-Y143 PolarHBondContact O-N 3.05Å; S139-Y143 VanDerWaalsContact O-N 3.1Å; R140-Y143 WeakPolarHBondContact O-CB 2.91Å; R140-Y143 PolarHBondContact O-N 3.47Å; R140-Y143 VanDerWaalsContact O-N 3.07Å; F141-Y143 VanDerWaalsContact C-N 3.29Å; F141-Y143 PolarHBondContact O-N 2.71Å; Y143-L145 VanDerWaalsContact C-N 3.25Å; Y143-L145 PolarHBondContact O-N 3.3Å; Y143-K146 WeakPolarHBondContact O-CB 3.47Å; Y143-K146 PolarHBondContact O-N 2.97Å; Y143-K146 VanDerWaalsContact O-N 3.14Å; Y143-V147 HydrophobicContact CD1-CG2 3.81Å; Y143-V147 HydrophobicContact CE1-CG2 3.4Å; Y143-V147 VanDerWaalsContact CE1-CG2 3.4Å; Y143-V147 PolarHBondContact O-N 3.32Å
144I90.9Very high90.2Very high6 Ų644.5 Ų44.53%0.03120%0.197CC..Hα-helixtrans-59.4-42.1178-60.3161.8000109.8F69 L111 R114 L115 E118 R140 F141 K146 V147 F148F69-I144 HydrophobicContact CE2-CD1 4.06Å; F69-I144 HydrophobicContact CE2-CG1 4.27Å; F69-I144 HydrophobicContact CZ-CD1 4.38Å; F69-I144 HydrophobicContact CZ-CG1 4.21Å; L111-I144 HydrophobicContact CD2-CG2 3.85Å; R114-I144 HydrophobicContact CB-CD1 4.25Å; R114-I144 HydrophobicContact CB-CG2 4.41Å; L115-I144 HydrophobicContact CD2-CB 3.87Å; L115-I144 HydrophobicContact CD2-CG2 3.71Å; L115-I144 HydrophobicContact CG-CB 4.43Å; L115-I144 HydrophobicContact CG-CG2 3.71Å; E118-I144 HydrophobicContact CG-CD1 4Å; R140-I144 WeakPolarHBondContact O-CG1 3.49Å; R140-I144 PolarHBondContact O-N 3.44Å; F141-I144 PolarHBondContact O-N 2.99Å; I144-K146 VanDerWaalsContact C-N 3.32Å; I144-K146 PolarHBondContact O-N 3.15Å; I144-V147 PolarHBondContact O-N 2.96Å; I144-F148 WeakPolarHBondContact O-CB 3.37Å; I144-F148 PolarHBondContact O-N 3.34Å
145L91Very high90.1Very high43 Ų4345.4 Ų45.423%0.22520%0.201CC..Hα-helixtrans-61.4-42.3177.8-176.963.9000111.3V42 L115 F141 R142 Y143 F148 E149V42-L145 HydrophobicContact CG2-CD2 3.66Å; L115-L145 HydrophobicContact CD1-CD1 4.36Å; L115-L145 HydrophobicContact CD2-CB 4.09Å; F141-L145 HydrophobicContact CE1-CD2 4.25Å; F141-L145 VanDerWaalsContact O-CB 3.29Å; F141-L145 WeakPolarHBondContact O-CB 3.41Å; F141-L145 PolarHBondContact O-N 3.37Å; R142-L145 PolarHBondContact O-N 2.8Å; Y143-L145 VanDerWaalsContact C-N 3.25Å; Y143-L145 PolarHBondContact O-N 3.3Å; L145-F148 WeakPolarHBondContact O-CB 3.49Å; L145-F148 PolarHBondContact O-N 3.47Å; L145-E149 WeakPolarHBondContact O-CG 3.44Å; L145-E149 PolarHBondContact O-N 3.25Å
146K90.3Very high90Very high118 Ų11849 Ų4951%0.51322%0.224SC..Hα-helixtrans-61.2-45.8175.8-178.2178.2177.6-179.60111.9R142 Y143 I144 F148 E149 E150R142-K146 WeakPolarHBondContact O-CB 3.02Å; R142-K146 PolarHBondContact O-N 3.01Å; Y143-K146 WeakPolarHBondContact O-CB 3.47Å; Y143-K146 PolarHBondContact O-N 2.97Å; Y143-K146 VanDerWaalsContact O-N 3.14Å; I144-K146 VanDerWaalsContact C-N 3.32Å; I144-K146 PolarHBondContact O-N 3.15Å; K146-F148 VanDerWaalsContact C-N 3.29Å; K146-F148 PolarHBondContact O-N 3.37Å; K146-E149 PolarHBondContact O-N 3.01Å; K146-E150 VanDerWaalsContact CE-OE1 3.29Å; K146-E150 WeakPolarHBondContact CE-OE1 3.3Å; K146-E150 WeakPolarHBondContact O-CG 3.35Å; K146-E150 PolarHBondContact O-N 3.26Å
147V91.1Very high90Very high4 Ų447.4 Ų47.42%0.02422%0.221CC..Hα-helixtrans-62.6-39.4176.5174.60000111I76 V80 L111 Y143 I144 E150 L151I76-V147 HydrophobicContact CG2-CG1 3.96Å; V80-V147 HydrophobicContact CB-CG1 4.47Å; V80-V147 HydrophobicContact CG2-CG1 3.76Å; L111-V147 HydrophobicContact CD2-CG1 4.31Å; Y143-V147 HydrophobicContact CD1-CG2 3.81Å; Y143-V147 HydrophobicContact CE1-CG2 3.4Å; Y143-V147 VanDerWaalsContact CE1-CG2 3.4Å; Y143-V147 PolarHBondContact O-N 3.32Å; I144-V147 PolarHBondContact O-N 2.96Å; V147-E150 PolarHBondContact O-N 3.03Å; V147-L151 PolarHBondContact O-N 2.93Å; V147-L151 VanDerWaalsContact O-N 3.1Å
148F92.4Very high89.9Confident12 Ų1247.1 Ų47.15%0.05322%0.219CC..Hα-helixtrans-63.3-46.3174.6-171.4-121.7000111V108 L111 R112 L115 I144 L145 K146 E150 L151 R152V108-F148 HydrophobicContact CG1-CE2 4.08Å; V108-F148 HydrophobicContact CG1-CZ 4.42Å; V108-F148 HydrophobicContact CG2-CE2 4.39Å; L111-F148 HydrophobicContact CB-CD2 3.7Å; L111-F148 HydrophobicContact CB-CE2 4.27Å; L111-F148 HydrophobicContact CB-CG 4.44Å; L111-F148 HydrophobicContact CD1-CB 4.43Å; L111-F148 HydrophobicContact CD1-CD2 3.77Å; L111-F148 HydrophobicContact CG-CD2 4.31Å; R112-F148 HydrophobicContact CG-CE2 4.38Å; R112-F148 HydrophobicContact CG-CZ 4.08Å; L115-F148 HydrophobicContact CD1-CB 4.5Å; L115-F148 HydrophobicContact CD1-CD1 4.25Å; L115-F148 HydrophobicContact CD1-CG 4.45Å; I144-F148 WeakPolarHBondContact O-CB 3.37Å; I144-F148 PolarHBondContact O-N 3.34Å; L145-F148 WeakPolarHBondContact O-CB 3.49Å; L145-F148 PolarHBondContact O-N 3.47Å; K146-F148 VanDerWaalsContact C-N 3.29Å; K146-F148 PolarHBondContact O-N 3.37Å; F148-E150 PolarHBondContact O-N 2.56Å; F148-L151 WeakPolarHBondContact O-CB 3.35Å; F148-L151 PolarHBondContact O-N 2.8Å; F148-L151 VanDerWaalsContact O-N 3.14Å; F148-R152 HydrophobicContact CD1-CG 4.39Å; F148-R152 HydrophobicContact CE1-CG 4.3Å; F148-R152 HydrophobicContact CZ-CG 4.47Å; F148-R152 VanDerWaalsContact O-CG 3.26Å; F148-R152 WeakPolarHBondContact O-CG 3.22Å; F148-R152 PolarHBondContact O-N 3.26Å
149E91Very high89.8Confident98 Ų9851.4 Ų51.446%0.45824%0.238SC..Hα-helixtrans-59.3-42.6175.5-73.9176.8169.600112.6L145 K146 L151 R152 E153L145-E149 WeakPolarHBondContact O-CG 3.44Å; L145-E149 PolarHBondContact O-N 3.25Å; K146-E149 PolarHBondContact O-N 3.01Å; E149-L151 VanDerWaalsContact C-N 3.3Å; E149-L151 PolarHBondContact O-N 3.13Å; E149-R152 WeakPolarHBondContact O-CB 3.28Å; E149-R152 PolarHBondContact O-N 3.36Å; E149-E153 PolarHBondContact O-N 3.01Å; E149-E153 VanDerWaalsContact O-N 3.13Å
150E90.6Very high89.7Confident48 Ų4858.8 Ų58.822%0.22427%0.272CS..Hα-helixtrans-56.1-44.1173.3-73.8172.6-170.800111R77 K146 V147 F148 E153R77-E150 IonicContact CZ-OE2 3.01Å; R77-E150 IonicContact NE-OE2 2.72Å; R77-E150 IonicContact NH2-OE1 3.92Å; R77-E150 PolarHBondContact NH2-OE1 3.17Å; R77-E150 IonicContact NH2-OE2 3.27Å; R77-E150 PolarHBondContact NH2-OE2 3.49Å; R77-E150 VanDerWaalsContact NH2-OE2 3.14Å; K146-E150 VanDerWaalsContact CE-OE1 3.29Å; K146-E150 WeakPolarHBondContact CE-OE1 3.3Å; K146-E150 WeakPolarHBondContact O-CG 3.35Å; K146-E150 PolarHBondContact O-N 3.26Å; V147-E150 PolarHBondContact O-N 3.03Å; F148-E150 PolarHBondContact O-N 2.56Å; E150-E153 PolarHBondContact O-N 3.07Å
151L91Very high89.5Confident0 Ų059 Ų590%028%0.277CS..Hα-helixtrans-64.3-40.1174.4-178.367.2000111.8V80 V83 L107 V108 L111 V147 F148 E149 E153 Y154 W158V80-L151 HydrophobicContact CG1-CB 4.12Å; V80-L151 HydrophobicContact CG1-CD1 4.23Å; V80-L151 HydrophobicContact CG2-CB 4.43Å; V83-L151 HydrophobicContact CG1-CD1 3.94Å; L107-L151 HydrophobicContact CD2-CD1 4.34Å; L107-L151 HydrophobicContact CD2-CD2 4.15Å; L107-L151 HydrophobicContact CG-CD2 4.19Å; V108-L151 HydrophobicContact CG2-CD2 3.78Å; L111-L151 HydrophobicContact CD1-CD2 3.86Å; V147-L151 PolarHBondContact O-N 2.93Å; V147-L151 VanDerWaalsContact O-N 3.1Å; F148-L151 WeakPolarHBondContact O-CB 3.35Å; F148-L151 PolarHBondContact O-N 2.8Å; F148-L151 VanDerWaalsContact O-N 3.14Å; E149-L151 VanDerWaalsContact C-N 3.3Å; E149-L151 PolarHBondContact O-N 3.13Å; L151-E153 VanDerWaalsContact C-N 3.27Å; L151-E153 PolarHBondContact O-N 3.38Å; L151-Y154 PolarHBondContact O-N 3.46Å; L151-Y154 VanDerWaalsContact O-N 3.15Å; L151-W158 HydrophobicContact CD1-CH2 4.12Å; L151-W158 HydrophobicContact CD1-CZ3 3.75Å; L151-W158 HydrophobicContact CG-CH2 3.9Å; L151-W158 HydrophobicContact CG-CZ3 4.04Å; L151-W158 WeakPolarHBondContact O-CH2 3.31Å; L151-W158 WeakPolarHBondContact O-CZ3 3.29Å
152R89.2Confident89.1Confident95 Ų9561.2 Ų61.236%0.35830%0.302SS..Hα-helixtrans-63.3-29.5-179.2-67.8-173.763.8-157.1-3.4113.7F148 E149 Y154 E155 T167F148-R152 HydrophobicContact CD1-CG 4.39Å; F148-R152 HydrophobicContact CE1-CG 4.3Å; F148-R152 HydrophobicContact CZ-CG 4.47Å; F148-R152 VanDerWaalsContact O-CG 3.26Å; F148-R152 WeakPolarHBondContact O-CG 3.22Å; F148-R152 PolarHBondContact O-N 3.26Å; E149-R152 WeakPolarHBondContact O-CB 3.28Å; E149-R152 PolarHBondContact O-N 3.36Å; R152-Y154 PolarHBondContact O-N 3.32Å; R152-E155 WeakPolarHBondContact O-CB 3.49Å; R152-E155 PolarHBondContact O-N 2.95Å; R152-T167 WeakPolarHBondContact CD-OG1 3.31Å; R152-T167 VanDerWaalsContact CG-CB 3.5Å; R152-T167 HydrophobicContact CG-CG2 3.94Å; R152-T167 VanDerWaalsContact CG-OG1 3.23Å; R152-T167 WeakPolarHBondContact CG-OG1 3.35Å; R152-T167 PolarHBondContact NE-OG1 2.97Å
153E90.7Very high88.9Confident152 Ų15258.3 Ų58.371%0.7129%0.291SS*.Hα-helixtrans-58.4-28.7176.4-69.4-179.5178.700112E149 E150 L151E149-E153 PolarHBondContact O-N 3.01Å; E149-E153 VanDerWaalsContact O-N 3.13Å; E150-E153 PolarHBondContact O-N 3.07Å; L151-E153 VanDerWaalsContact C-N 3.27Å; L151-E153 PolarHBondContact O-N 3.38Å
154Y90.1Very high88.7Confident83 Ų8362.9 Ų62.933%0.32532%0.319SS..THydrogen-bonded Turntrans-89.23178.1-68.9-93.3000113.9I84 L151 R152 T156 A157 W158I84-Y154 HydrophobicContact CB-CE2 4.47Å; I84-Y154 HydrophobicContact CD1-CD2 3.71Å; I84-Y154 HydrophobicContact CD1-CE2 3.61Å; I84-Y154 HydrophobicContact CG1-CD1 4.43Å; I84-Y154 HydrophobicContact CG1-CD2 3.63Å; I84-Y154 HydrophobicContact CG1-CE2 3.84Å; I84-Y154 HydrophobicContact CG1-CG 3.95Å; I84-Y154 HydrophobicContact CG2-CD1 4.05Å; I84-Y154 HydrophobicContact CG2-CD2 4.27Å; I84-Y154 HydrophobicContact CG2-CE1 3.55Å; I84-Y154 HydrophobicContact CG2-CE2 3.8Å; I84-Y154 HydrophobicContact CG2-CG 4.38Å; L151-Y154 PolarHBondContact O-N 3.46Å; L151-Y154 VanDerWaalsContact O-N 3.15Å; R152-Y154 PolarHBondContact O-N 3.32Å; Y154-T156 PolarHBondContact O-N 2.9Å; Y154-A157 WeakPolarHBondContact O-CB 3.27Å; Y154-A157 PolarHBondContact O-N 3.39Å; Y154-W158 VanDerWaalsContact O-CE3 3.25Å; Y154-W158 PolarHBondContact O-N 2.95Å; Y154-W158 VanDerWaalsContact O-N 3.12Å
155E89.3Confident88.3Confident20 Ų2063.2 Ų63.29%0.09332%0.321CS..Hα-helixtrans-59.2-38.2-178.9-177176.3-177.600112.7R152 A157 W158 K159 T167R152-E155 WeakPolarHBondContact O-CB 3.49Å; R152-E155 PolarHBondContact O-N 2.95Å; E155-A157 VanDerWaalsContact C-N 3.31Å; E155-A157 PolarHBondContact O-N 3.31Å; E155-W158 VanDerWaalsContact CA-CZ2 3.44Å; E155-W158 HydrophobicContact CB-CH2 4.08Å; E155-W158 HydrophobicContact CB-CZ2 3.61Å; E155-W158 HydrophobicContact CG-CZ2 3.8Å; E155-K159 HydrophobicContact CG-CD 4.13Å; E155-K159 WeakPolarHBondContact O-CB 3.41Å; E155-K159 VanDerWaalsContact O-CG 3.26Å; E155-K159 WeakPolarHBondContact O-CG 3.27Å; E155-K159 PolarHBondContact O-N 3.4Å; E155-K159 VanDerWaalsContact O-N 3.13Å; E155-K159 WeakPolarHBondContact OE1-CE 3.44Å; E155-K159 IonicContact OE1-NZ 2.66Å; E155-K159 PolarHBondContact OE1-NZ 3.2Å; E155-T167 HydrophobicContact CG-CG2 4.41Å; E155-T167 PolarHBondContact OE1-N 2.64Å; E155-T167 PolarHBondContact OE2-OG1 3.2Å
156T87.3Confident87.8Confident96 Ų9664.6 Ų64.659%0.58933%0.332SS*.Hα-helixtrans-66.5-37.4177.1-51.10000111.3Y154 Q160Y154-T156 PolarHBondContact O-N 2.9Å; T156-Q160 WeakPolarHBondContact O-CG 3.46Å; T156-Q160 PolarHBondContact O-N 3.25Å; T156-Q160 VanDerWaalsContact O-N 3.13Å
157A88.8Confident87.1Confident35 Ų3559.1 Ų59.129%0.28931%0.308SS..Hα-helixtrans-68.3-48.1-177.700000111.5V87 Y154 E155 K159 Q160 L161V87-A157 HydrophobicContact CG1-CB 3.73Å; Y154-A157 WeakPolarHBondContact O-CB 3.27Å; Y154-A157 PolarHBondContact O-N 3.39Å; E155-A157 VanDerWaalsContact C-N 3.31Å; E155-A157 PolarHBondContact O-N 3.31Å; A157-K159 VanDerWaalsContact C-N 3.33Å; A157-K159 PolarHBondContact O-N 3.42Å; A157-Q160 WeakPolarHBondContact O-CB 3.42Å; A157-Q160 PolarHBondContact O-N 2.89Å; A157-L161 PolarHBondContact O-N 3.12Å
158W88.1Confident85.9Confident0 Ų065.1 Ų65.10%035%0.345CS..Hα-helixtrans-70.7-29.6178.367.161.8000112.7V87 I104 L151 Y154 E155 Q160 L161 G162 I163 V165 T167V87-W158 HydrophobicContact CG1-CB 4.07Å; V87-W158 HydrophobicContact CG2-CB 3.95Å; V87-W158 HydrophobicContact CG2-CE3 4.33Å; I104-W158 HydrophobicContact CD1-CB 3.91Å; I104-W158 HydrophobicContact CD1-CD2 4.03Å; I104-W158 HydrophobicContact CD1-CE3 4.08Å; I104-W158 HydrophobicContact CD1-CG 4.02Å; I104-W158 HydrophobicContact CG2-CD2 4.24Å; I104-W158 HydrophobicContact CG2-CE3 4.39Å; I104-W158 HydrophobicContact CG2-CH2 4.31Å; I104-W158 HydrophobicContact CG2-CZ2 4.09Å; I104-W158 HydrophobicContact CG2-CZ3 4.44Å; L151-W158 HydrophobicContact CD1-CH2 4.12Å; L151-W158 HydrophobicContact CD1-CZ3 3.75Å; L151-W158 HydrophobicContact CG-CH2 3.9Å; L151-W158 HydrophobicContact CG-CZ3 4.04Å; L151-W158 WeakPolarHBondContact O-CH2 3.31Å; L151-W158 WeakPolarHBondContact O-CZ3 3.29Å; Y154-W158 VanDerWaalsContact O-CE3 3.25Å; Y154-W158 PolarHBondContact O-N 2.95Å; Y154-W158 VanDerWaalsContact O-N 3.12Å; E155-W158 VanDerWaalsContact CA-CZ2 3.44Å; E155-W158 HydrophobicContact CB-CH2 4.08Å; E155-W158 HydrophobicContact CB-CZ2 3.61Å; E155-W158 HydrophobicContact CG-CZ2 3.8Å; W158-Q160 VanDerWaalsContact C-N 3.28Å; W158-Q160 PolarHBondContact O-N 3.04Å; W158-L161 WeakPolarHBondContact O-CA 3.28Å; W158-L161 WeakPolarHBondContact O-CB 3.38Å; W158-L161 PolarHBondContact O-N 2.95Å; W158-G162 PolarHBondContact O-N 3.07Å; W158-I163 HydrophobicContact CB-CB 4.07Å; W158-I163 HydrophobicContact CB-CD1 4.19Å; W158-I163 HydrophobicContact CB-CG2 4.4Å; W158-I163 HydrophobicContact CG-CB 4.37Å; W158-I163 HydrophobicContact CG-CG2 4.33Å; W158-I163 WeakPolarHBondContact O-CB 3.1Å; W158-I163 PolarHBondContact O-N 3.15Å; W158-V165 PolarHBondContact NE1-O 3.22Å; W158-T167 HydrophobicContact CH2-CG2 3.98Å; W158-T167 HydrophobicContact CZ2-CG2 3.61Å
159K87.8Confident85.6Confident90 Ų9067.8 Ų67.839%0.39136%0.359SS..Hα-helixtrans-62.1-36.8171.6-79.1179.1-177.3173.10112.1E155 A157 L161 G162 I163E155-K159 HydrophobicContact CG-CD 4.13Å; E155-K159 WeakPolarHBondContact O-CB 3.41Å; E155-K159 VanDerWaalsContact O-CG 3.26Å; E155-K159 WeakPolarHBondContact O-CG 3.27Å; E155-K159 PolarHBondContact O-N 3.4Å; E155-K159 VanDerWaalsContact O-N 3.13Å; E155-K159 WeakPolarHBondContact OE1-CE 3.44Å; E155-K159 IonicContact OE1-NZ 2.66Å; E155-K159 PolarHBondContact OE1-NZ 3.2Å; A157-K159 VanDerWaalsContact C-N 3.33Å; A157-K159 PolarHBondContact O-N 3.42Å; K159-L161 PolarHBondContact O-N 2.92Å; K159-G162 PolarHBondContact O-N 3.46Å; K159-I163 WeakPolarHBondContact CA-O 3.31Å
160Q86.9Confident85.3Confident160 Ų16066.2 Ų66.275%0.74835%0.354SS*.Hα-helixtrans-64.9-26.8173.5-71.9172.9-1.600112.7T156 A157 W158 G162T156-Q160 WeakPolarHBondContact O-CG 3.46Å; T156-Q160 PolarHBondContact O-N 3.25Å; T156-Q160 VanDerWaalsContact O-N 3.13Å; A157-Q160 WeakPolarHBondContact O-CB 3.42Å; A157-Q160 PolarHBondContact O-N 2.89Å; W158-Q160 VanDerWaalsContact C-N 3.28Å; W158-Q160 PolarHBondContact O-N 3.04Å; Q160-G162 PolarHBondContact O-N 3.38Å
161L83.1Confident85Confident59 Ų5967.2 Ų67.231%0.30936%0.362SS..THydrogen-bonded Turntrans-80.2-0.2173.5-58.6174.2000113.4V87 L90 V97 A157 W158 K159V87-L161 HydrophobicContact CB-CD1 4.46Å; V87-L161 HydrophobicContact CG1-CD1 3.99Å; V87-L161 WeakPolarHBondContact O-CD1 3.42Å; L90-L161 HydrophobicContact CD2-CD1 4.34Å; L90-L161 HydrophobicContact CD2-CD2 3.99Å; V97-L161 WeakPolarHBondContact CG1-O 3.31Å; A157-L161 PolarHBondContact O-N 3.12Å; W158-L161 WeakPolarHBondContact O-CA 3.28Å; W158-L161 WeakPolarHBondContact O-CB 3.38Å; W158-L161 PolarHBondContact O-N 2.95Å; K159-L161 PolarHBondContact O-N 2.92Å
162G84.1Confident84.7Confident57 Ų5771.1 Ų71.159%0.58838%0.383SS*.THydrogen-bonded Turntrans87.911-177.800000114.6W158 K159 Q160W158-G162 PolarHBondContact O-N 3.07Å; K159-G162 PolarHBondContact O-N 3.46Å; Q160-G162 PolarHBondContact O-N 3.38Å
163I84.8Confident84.4Confident2 Ų269.6 Ų69.61%0.0138%0.384CS..  trans-87.5115.5178.8-59.5178.2000109.4V97 L100 I104 W158 K159 V165V97-I163 HydrophobicContact CG1-CD1 4.31Å; V97-I163 HydrophobicContact CG1-CG1 3.78Å; L100-I163 HydrophobicContact CB-CD1 4.01Å; L100-I163 HydrophobicContact CD2-CD1 3.85Å; L100-I163 HydrophobicContact CG-CD1 3.77Å; I104-I163 HydrophobicContact CD1-CD1 3.9Å; I104-I163 HydrophobicContact CD1-CG2 4.11Å; W158-I163 HydrophobicContact CB-CB 4.07Å; W158-I163 HydrophobicContact CB-CD1 4.19Å; W158-I163 HydrophobicContact CB-CG2 4.4Å; W158-I163 HydrophobicContact CG-CB 4.37Å; W158-I163 HydrophobicContact CG-CG2 4.33Å; W158-I163 WeakPolarHBondContact O-CB 3.1Å; W158-I163 PolarHBondContact O-N 3.15Å; K159-I163 WeakPolarHBondContact CA-O 3.31Å; I163-V165 HydrophobicContact CG2-CB 4.33Å; I163-V165 HydrophobicContact CG2-CG2 3.72Å; I163-V165 PolarHBondContact O-N 2.97Å
164N84.6Confident84Confident142 Ų14264.1 Ų64.176%0.75936%0.363SS*.  trans-97.147.5-176.8-89.6-19.8000113
165V81.4Confident83.6Confident13 Ų1362.8 Ų62.88%0.07937%0.365CS..  trans-91.7131.6171.7-173.70000109.5I104 S105 V108 W158 I163I104-V165 HydrophobicContact CB-CG2 4.35Å; I104-V165 HydrophobicContact CG2-CB 3.85Å; I104-V165 HydrophobicContact CG2-CG1 3.89Å; I104-V165 HydrophobicContact CG2-CG2 4.04Å; S105-V165 WeakPolarHBondContact OG-CG2 3.38Å; V108-V165 HydrophobicContact CB-CG1 4.35Å; V108-V165 HydrophobicContact CG2-CG1 4.13Å; W158-V165 PolarHBondContact NE1-O 3.22Å; I163-V165 HydrophobicContact CG2-CB 4.33Å; I163-V165 HydrophobicContact CG2-CG2 3.72Å; I163-V165 PolarHBondContact O-N 2.97Å
166T80.5Confident83.1Confident73 Ų7366.1 Ų66.145%0.44839%0.386SS..  trans-112.1131.3-175-32.20000111R112 T168R112-T166 PolarHBondContact NH2-O 2.91Å; R112-T166 VanDerWaalsContact NH2-O 3.12Å; T166-T168 VanDerWaalsContact CG2-OG1 3.25Å; T166-T168 WeakPolarHBondContact CG2-OG1 3.41Å
167T75.8Confident82.8Confident2 Ų263.6 Ų63.61%0.01237%0.369CS..  trans-103.8-10.6-177.173.60000114.4V108 R112 R152 E155 W158V108-T167 HydrophobicContact CG2-CG2 4.23Å; R112-T167 PolarHBondContact NH2-O 3.32Å; R152-T167 WeakPolarHBondContact CD-OG1 3.31Å; R152-T167 VanDerWaalsContact CG-CB 3.5Å; R152-T167 HydrophobicContact CG-CG2 3.94Å; R152-T167 VanDerWaalsContact CG-OG1 3.23Å; R152-T167 WeakPolarHBondContact CG-OG1 3.35Å; R152-T167 PolarHBondContact NE-OG1 2.97Å; E155-T167 HydrophobicContact CG-CG2 4.41Å; E155-T167 PolarHBondContact OE1-N 2.64Å; E155-T167 PolarHBondContact OE2-OG1 3.2Å; W158-T167 HydrophobicContact CH2-CG2 3.98Å; W158-T167 HydrophobicContact CZ2-CG2 3.61Å
168T67.5Low82.2Confident130 Ų13066.2 Ų66.280%0.79838%0.377SS*.  trans-74.10163.447.70000109.6R112 T166R112-T168 PolarHBondContact NH1-O 3.5Å; R112-T168 VanDerWaalsContact NH1-O 3.16Å; R112-T168 PolarHBondContact NH2-O 3.31Å; R112-T168 PolarHBondContact NH2-OXT 3.27Å; T166-T168 VanDerWaalsContact CG2-OG1 3.25Å; T166-T168 WeakPolarHBondContact CG2-OG1 3.41Å

Retrieved 168 of 168 residues in 174.9 ms (Link to these results)

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