A0A077Z3B5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z3B5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 147 aa.

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

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
1M63.5Low84.1Confident214 Ų214113.2 Ų113.2100%1.05458%0.579SS**  0-270-86.2-173.1-91.300112.7S4M1-S4 PolarHBondContact O-OG 2.99Å
2E79.4Confident84.5Confident158 Ų158109.5 Ų109.574%0.73857%0.571SS**Hα-helixtrans-71.8-39.4-179.2-65.3175.9171.600113.7S4 S5 I6E2-S4 VanDerWaalsContact C-N 3.33Å; E2-S4 PolarHBondContact O-N 3.37Å; E2-S5 WeakPolarHBondContact O-CA 3.39Å; E2-S5 VanDerWaalsContact O-CB 3.26Å; E2-S5 WeakPolarHBondContact O-CB 3.29Å; E2-S5 PolarHBondContact O-N 3.39Å; E2-I6 WeakPolarHBondContact O-CG1 3.43Å; E2-I6 PolarHBondContact O-N 2.99Å
3L74.6Confident84.3Confident118 Ų118104.5 Ų104.562%0.61854%0.541SS*.Hα-helixtrans-57.5-41.2179.9-106.5154.2000113.6S5 I6 L7L3-S5 VanDerWaalsContact C-N 3.32Å; L3-I6 PolarHBondContact O-N 3.1Å; L3-L7 PolarHBondContact O-N 3.45Å
4S87.1Confident84.4Confident77 Ų77106.8 Ų106.854%0.53854%0.544SS..Hα-helixtrans-66.4-35.717545.60000112.1M1 E2 Q8M1-S4 PolarHBondContact O-OG 2.99Å; E2-S4 VanDerWaalsContact C-N 3.33Å; E2-S4 PolarHBondContact O-N 3.37Å; S4-Q8 WeakPolarHBondContact O-CB 3.46Å; S4-Q8 PolarHBondContact O-N 3.11Å; S4-Q8 VanDerWaalsContact O-N 3.12Å
5S89.1Confident84Confident71 Ų71108 Ų10850%0.49755%0.547SS..Hα-helixtrans-65.1-44175.1-169.90000111.1E2 L3 Q8 E9E2-S5 WeakPolarHBondContact O-CA 3.39Å; E2-S5 VanDerWaalsContact O-CB 3.26Å; E2-S5 WeakPolarHBondContact O-CB 3.29Å; E2-S5 PolarHBondContact O-N 3.39Å; L3-S5 VanDerWaalsContact C-N 3.32Å; S5-Q8 PolarHBondContact O-N 3.26Å; S5-E9 WeakPolarHBondContact O-CB 3.42Å; S5-E9 PolarHBondContact O-N 2.9Å
6I86.4Confident83.8Confident68 Ų68109.4 Ų109.435%0.34954%0.543SS..Hα-helixtrans-66.6-42.8-179.6-65166.9000110.9E2 L3 Q8 E9 Q10E2-I6 WeakPolarHBondContact O-CG1 3.43Å; E2-I6 PolarHBondContact O-N 2.99Å; L3-I6 PolarHBondContact O-N 3.1Å; I6-Q8 VanDerWaalsContact C-N 3.35Å; I6-Q8 PolarHBondContact O-N 3.18Å; I6-E9 PolarHBondContact O-N 3.49Å; I6-Q10 WeakPolarHBondContact O-CG 3.45Å; I6-Q10 PolarHBondContact O-N 2.92Å
7L89.8Confident83.2Confident106 Ų106105.5 Ų105.556%0.55553%0.527SS*.Hα-helixtrans-61.8-43.2177.2-81.7167.9000112L3 E9 Q10 E11L3-L7 PolarHBondContact O-N 3.45Å; L7-E9 VanDerWaalsContact C-N 3.31Å; L7-E9 PolarHBondContact O-N 3.46Å; L7-Q10 PolarHBondContact O-N 3.25Å; L7-E11 PolarHBondContact O-N 3.1Å
8Q90.1Very high82.5Confident141 Ų141106.2 Ų106.266%0.65953%0.532SS*.Hα-helixtrans-64.3-38.7176.2-171.5177.71.900111.4S4 S5 I6 E11 S12S4-Q8 WeakPolarHBondContact O-CB 3.46Å; S4-Q8 PolarHBondContact O-N 3.11Å; S4-Q8 VanDerWaalsContact O-N 3.12Å; S5-Q8 PolarHBondContact O-N 3.26Å; I6-Q8 VanDerWaalsContact C-N 3.35Å; I6-Q8 PolarHBondContact O-N 3.18Å; Q8-E11 PolarHBondContact O-N 3.24Å; Q8-S12 PolarHBondContact O-N 3.42Å
9E89.6Confident82.1Confident83 Ų83107.7 Ų107.739%0.38854%0.538SS..Hα-helixtrans-65.7-41.1175.9-147.3-173.9162.100111.5S5 I6 L7 E11 S12 Y13S5-E9 WeakPolarHBondContact O-CB 3.42Å; S5-E9 PolarHBondContact O-N 2.9Å; I6-E9 PolarHBondContact O-N 3.49Å; L7-E9 VanDerWaalsContact C-N 3.31Å; L7-E9 PolarHBondContact O-N 3.46Å; E9-E11 PolarHBondContact O-N 3.24Å; E9-S12 WeakPolarHBondContact O-CB 3.1Å; E9-S12 PolarHBondContact O-N 2.92Å; E9-Y13 HydrophobicContact CB-CE2 4.47Å; E9-Y13 HydrophobicContact CG-CD2 4.13Å; E9-Y13 HydrophobicContact CG-CE2 3.58Å; E9-Y13 WeakPolarHBondContact O-CD2 3.44Å; E9-Y13 PolarHBondContact O-N 3.15Å; E9-Y13 WeakPolarHBondContact OE1-CE2 3.44Å; E9-Y13 PolarHBondContact OE1-OH 3.04Å; E9-Y13 VanDerWaalsContact OE1-OH 3.12Å
10Q87.5Confident80.8Confident63 Ų63103.5 Ų103.529%0.29452%0.52SS..Hα-helixtrans-61.9-41.2175-76.9-175.6-15.300112.5I6 L7 S12 Y13 K14I6-Q10 WeakPolarHBondContact O-CG 3.45Å; I6-Q10 PolarHBondContact O-N 2.92Å; L7-Q10 PolarHBondContact O-N 3.25Å; Q10-S12 VanDerWaalsContact C-N 3.31Å; Q10-S12 PolarHBondContact O-N 3.12Å; Q10-Y13 PolarHBondContact O-N 2.88Å; Q10-K14 WeakPolarHBondContact O-CB 3.37Å; Q10-K14 PolarHBondContact O-N 3.19Å
11E88.2Confident80Confident146 Ų146107.5 Ų107.568%0.68254%0.537SS*.Hα-helixtrans-64.1-38.5175.4-168.7170.7-156.200111.4L7 Q8 E9 K14 H15L7-E11 PolarHBondContact O-N 3.1Å; Q8-E11 PolarHBondContact O-N 3.24Å; E9-E11 PolarHBondContact O-N 3.24Å; E11-K14 PolarHBondContact O-N 3.4Å; E11-H15 PolarHBondContact O-N 3.47Å
12S88.3Confident79.8Confident69 Ų69102.5 Ų102.548%0.48352%0.515SS..Hα-helixtrans-63.8-46173.5-176.60000112.6Q8 E9 Q10 K14 H15 R16Q8-S12 PolarHBondContact O-N 3.42Å; E9-S12 WeakPolarHBondContact O-CB 3.1Å; E9-S12 PolarHBondContact O-N 2.92Å; Q10-S12 VanDerWaalsContact C-N 3.31Å; Q10-S12 PolarHBondContact O-N 3.12Å; S12-K14 VanDerWaalsContact C-N 3.29Å; S12-K14 PolarHBondContact O-N 3.36Å; S12-H15 PolarHBondContact O-N 2.87Å; S12-R16 WeakPolarHBondContact O-CG 3.3Å; S12-R16 PolarHBondContact O-N 3.47Å; S12-R16 VanDerWaalsContact O-N 3.1Å
13Y82.2Confident79.4Confident45 Ų45100.4 Ų100.418%0.17651%0.508CS..Hα-helixtrans-63.2-35.8176.5-76.4-65.3000112.3E9 Q10 H15 R16 V17 I29E9-Y13 HydrophobicContact CB-CE2 4.47Å; E9-Y13 HydrophobicContact CG-CD2 4.13Å; E9-Y13 HydrophobicContact CG-CE2 3.58Å; E9-Y13 WeakPolarHBondContact O-CD2 3.44Å; E9-Y13 PolarHBondContact O-N 3.15Å; E9-Y13 WeakPolarHBondContact OE1-CE2 3.44Å; E9-Y13 PolarHBondContact OE1-OH 3.04Å; E9-Y13 VanDerWaalsContact OE1-OH 3.12Å; Q10-Y13 PolarHBondContact O-N 2.88Å; Y13-H15 PolarHBondContact O-N 3.47Å; Y13-R16 PolarHBondContact O-N 3.48Å; Y13-V17 WeakPolarHBondContact O-CG2 3.37Å; Y13-V17 PolarHBondContact O-N 3.04Å; Y13-I29 HydrophobicContact CD1-CG2 4.4Å
14K85.3Confident79.5Confident136 Ų136100.9 Ų100.959%0.59151%0.511SS*.Hα-helixtrans-61-43.8175.6-173179.9176.3-176.70111.8Q10 E11 S12 R16 V17 D18Q10-K14 WeakPolarHBondContact O-CB 3.37Å; Q10-K14 PolarHBondContact O-N 3.19Å; E11-K14 PolarHBondContact O-N 3.4Å; S12-K14 VanDerWaalsContact C-N 3.29Å; S12-K14 PolarHBondContact O-N 3.36Å; K14-R16 VanDerWaalsContact C-N 3.31Å; K14-R16 PolarHBondContact O-N 3.41Å; K14-V17 WeakPolarHBondContact O-CB 3.46Å; K14-V17 PolarHBondContact O-N 3.43Å; K14-D18 PolarHBondContact O-N 3.37Å
15H79.6Confident79Confident125 Ų125102 Ų10258%0.57951%0.508SS*.Hα-helixtrans-62.5-40174.5-170.9-77000111.9E11 S12 Y13 V17 D18 E19E11-H15 PolarHBondContact O-N 3.47Å; S12-H15 PolarHBondContact O-N 2.87Å; Y13-H15 PolarHBondContact O-N 3.47Å; H15-V17 VanDerWaalsContact C-N 3.31Å; H15-V17 PolarHBondContact O-N 3.12Å; H15-D18 PolarHBondContact O-N 2.98Å; H15-E19 IonicContact CE1-OE2 3.71Å; H15-E19 IonicContact ND1-OE2 3.67Å; H15-E19 PolarHBondContact O-N 3.23Å; H15-E19 VanDerWaalsContact O-N 3.1Å
16R79.5Confident78.3Confident130 Ų130101.8 Ų101.849%0.49150%0.501SS..Hα-helixtrans-65.8-31.1176.8-68.2179.765.4-169-0.8113.1S12 Y13 K14 E19 A20 I29S12-R16 WeakPolarHBondContact O-CG 3.3Å; S12-R16 PolarHBondContact O-N 3.47Å; S12-R16 VanDerWaalsContact O-N 3.1Å; Y13-R16 PolarHBondContact O-N 3.48Å; K14-R16 VanDerWaalsContact C-N 3.31Å; K14-R16 PolarHBondContact O-N 3.41Å; R16-E19 PolarHBondContact O-N 2.89Å; R16-A20 VanDerWaalsContact O-CB 3.29Å; R16-A20 WeakPolarHBondContact O-CB 3.5Å; R16-A20 PolarHBondContact O-N 2.98Å; R16-I29 HydrophobicContact CB-CD1 4.13Å
17V74.4Confident78Confident43 Ų43102.2 Ų102.226%0.26150%0.501SS..Hα-helixtrans-65.6-41.9173.1163.80000111.4Y13 K14 H15 E19 L26 I29Y13-V17 WeakPolarHBondContact O-CG2 3.37Å; Y13-V17 PolarHBondContact O-N 3.04Å; K14-V17 WeakPolarHBondContact O-CB 3.46Å; K14-V17 PolarHBondContact O-N 3.43Å; H15-V17 VanDerWaalsContact C-N 3.31Å; H15-V17 PolarHBondContact O-N 3.12Å; V17-E19 VanDerWaalsContact C-N 3.28Å; V17-E19 PolarHBondContact O-N 3.49Å; V17-L26 HydrophobicContact CB-CD1 4.35Å; V17-L26 HydrophobicContact CG1-CD1 3.54Å; V17-L26 HydrophobicContact CG2-CD1 4.22Å; V17-I29 HydrophobicContact CB-CD1 4.44Å; V17-I29 HydrophobicContact CG2-CB 3.91Å; V17-I29 HydrophobicContact CG2-CD1 3.63Å; V17-I29 HydrophobicContact CG2-CG1 4.34Å; V17-I29 HydrophobicContact CG2-CG2 3.38Å
18D70Confident77.8Confident118 Ų11899.4 Ų99.463%0.63149%0.493SS*.Hα-helixtrans-70.2-28.1179.1-71.8-33.5000112.1K14 H15K14-D18 PolarHBondContact O-N 3.37Å; H15-D18 PolarHBondContact O-N 2.98Å
19E74.7Confident77.4Confident136 Ų13693.2 Ų93.264%0.63647%0.465SS*.Hα-helixtrans-87.5-23.1178-166.9169.6-16700113.7H15 R16 V17 Q21H15-E19 IonicContact CE1-OE2 3.71Å; H15-E19 IonicContact ND1-OE2 3.67Å; H15-E19 PolarHBondContact O-N 3.23Å; H15-E19 VanDerWaalsContact O-N 3.1Å; R16-E19 PolarHBondContact O-N 2.89Å; V17-E19 VanDerWaalsContact C-N 3.28Å; V17-E19 PolarHBondContact O-N 3.49Å; E19-Q21 PolarHBondContact O-N 3.19Å
20A57.6Low77.4Confident22 Ų2293.8 Ų93.818%0.18247%0.467CS..  trans-60.5106.517900000110.9R16 E25R16-A20 VanDerWaalsContact O-CB 3.29Å; R16-A20 WeakPolarHBondContact O-CB 3.5Å; R16-A20 PolarHBondContact O-N 2.98Å; A20-E25 HydrophobicContact CB-CB 3.91Å
21Q63.7Low77.5Confident189 Ų18998.7 Ų98.788%0.88348%0.483SS*.  trans-81.1-20.5174.8-67.2-173.3-39.800112.1E19E19-Q21 PolarHBondContact O-N 3.19Å
22D58.3Low77.7Confident108 Ų10895.1 Ų95.158%0.57847%0.467SS*.SBendtrans-103.8126.5-176.7-74.4-40.9000111.9D24 E25 L26D22-D24 PolarHBondContact O-N 2.87Å; D22-D24 VanDerWaalsContact O-N 3.11Å; D22-E25 HydrophobicContact CB-CG 4.35Å; D22-E25 WeakPolarHBondContact O-CB 3.43Å; D22-E25 PolarHBondContact O-N 3.31Å; D22-L26 PolarHBondContact O-N 3.46Å
23L72.5Confident77.8Confident114 Ų11494.6 Ų94.660%0.59746%0.458SS*.Hα-helixtrans-56.6-29.1-178.1-176.865.4000113.1L26 H27L23-L26 HydrophobicContact CD1-CD2 4.39Å; L23-L26 PolarHBondContact O-N 2.6Å; L23-H27 PolarHBondContact O-N 2.87Å
24D75Confident78.4Confident128 Ų12898.2 Ų98.268%0.68448%0.477SS*.Hα-helixtrans-68.8-34.9177-71.6-33.3000112.5D22 H27 A28D22-D24 PolarHBondContact O-N 2.87Å; D22-D24 VanDerWaalsContact O-N 3.11Å; D24-H27 PolarHBondContact O-N 3.38Å; D24-A28 WeakPolarHBondContact O-CB 3.39Å; D24-A28 PolarHBondContact O-N 3.49Å
25E76.8Confident78.7Confident102 Ų10298 Ų9848%0.47747%0.472SS..Hα-helixtrans-67.5-40.9173.8-65.9-170.5165.400110.8A20 D22 H27 A28 I29A20-E25 HydrophobicContact CB-CB 3.91Å; D22-E25 HydrophobicContact CB-CG 4.35Å; D22-E25 WeakPolarHBondContact O-CB 3.43Å; D22-E25 PolarHBondContact O-N 3.31Å; E25-H27 PolarHBondContact O-N 3.02Å; E25-A28 WeakPolarHBondContact O-CB 3.37Å; E25-A28 PolarHBondContact O-N 3.45Å; E25-A28 VanDerWaalsContact O-N 3.15Å; E25-I29 VanDerWaalsContact O-CG1 3.3Å; E25-I29 WeakPolarHBondContact O-CG1 3.45Å; E25-I29 PolarHBondContact O-N 3.44Å
26L73.9Confident79.3Confident66 Ų6693.7 Ų93.735%0.34645%0.453SS..Hα-helixtrans-60.8-45.4175.7-174.765.2000111.4V17 D22 L23 A28 I29 Q30V17-L26 HydrophobicContact CB-CD1 4.35Å; V17-L26 HydrophobicContact CG1-CD1 3.54Å; V17-L26 HydrophobicContact CG2-CD1 4.22Å; D22-L26 PolarHBondContact O-N 3.46Å; L23-L26 HydrophobicContact CD1-CD2 4.39Å; L23-L26 PolarHBondContact O-N 2.6Å; L26-A28 VanDerWaalsContact C-N 3.32Å; L26-A28 PolarHBondContact O-N 3.19Å; L26-I29 PolarHBondContact O-N 2.87Å; L26-Q30 WeakPolarHBondContact O-CB 3.46Å; L26-Q30 PolarHBondContact O-N 3.32Å
27H80.9Confident79.9Confident77 Ų7791 Ų9136%0.35645%0.451SS..Hα-helixtrans-64.8-34.9174.7-71.2161.1000112.6L23 D24 E25 Q30 R31L23-H27 PolarHBondContact O-N 2.87Å; D24-H27 PolarHBondContact O-N 3.38Å; E25-H27 PolarHBondContact O-N 3.02Å; H27-Q30 PolarHBondContact O-N 3.09Å; H27-R31 WeakPolarHBondContact O-CG 3.43Å; H27-R31 PolarHBondContact O-N 3.03Å
28A85.1Confident80.8Confident47 Ų4793.8 Ų93.839%0.38846%0.461SS..Hα-helixtrans-65.3-45.4174.800000111.4D24 E25 L26 Q30 R31 E32D24-A28 WeakPolarHBondContact O-CB 3.39Å; D24-A28 PolarHBondContact O-N 3.49Å; E25-A28 WeakPolarHBondContact O-CB 3.37Å; E25-A28 PolarHBondContact O-N 3.45Å; E25-A28 VanDerWaalsContact O-N 3.15Å; L26-A28 VanDerWaalsContact C-N 3.32Å; L26-A28 PolarHBondContact O-N 3.19Å; A28-Q30 VanDerWaalsContact C-N 3.33Å; A28-Q30 PolarHBondContact O-N 3.46Å; A28-R31 PolarHBondContact O-N 2.98Å; A28-E32 PolarHBondContact O-N 3.48Å; A28-E32 VanDerWaalsContact O-N 3.09Å
29I82.6Confident81.7Confident11 Ų1194.2 Ų94.26%0.05645%0.454CS..Hα-helixtrans-65.3-39177-60.9163.4000110.7Y13 R16 V17 E25 L26 R31 E32 L33Y13-I29 HydrophobicContact CD1-CG2 4.4Å; R16-I29 HydrophobicContact CB-CD1 4.13Å; V17-I29 HydrophobicContact CB-CD1 4.44Å; V17-I29 HydrophobicContact CG2-CB 3.91Å; V17-I29 HydrophobicContact CG2-CD1 3.63Å; V17-I29 HydrophobicContact CG2-CG1 4.34Å; V17-I29 HydrophobicContact CG2-CG2 3.38Å; E25-I29 VanDerWaalsContact O-CG1 3.3Å; E25-I29 WeakPolarHBondContact O-CG1 3.45Å; E25-I29 PolarHBondContact O-N 3.44Å; L26-I29 PolarHBondContact O-N 2.87Å; I29-R31 PolarHBondContact O-N 3.22Å; I29-E32 PolarHBondContact O-N 3.48Å; I29-L33 HydrophobicContact CG2-CD1 3.96Å; I29-L33 WeakPolarHBondContact O-CB 3.47Å; I29-L33 PolarHBondContact O-N 2.93Å
30Q88.7Confident82.2Confident95 Ų9592.7 Ų92.744%0.44445%0.447SS..Hα-helixtrans-62-41.2175.9-175.8176.7-28.600112.3L26 H27 A28 E32 L33 Q34L26-Q30 WeakPolarHBondContact O-CB 3.46Å; L26-Q30 PolarHBondContact O-N 3.32Å; H27-Q30 PolarHBondContact O-N 3.09Å; A28-Q30 VanDerWaalsContact C-N 3.33Å; A28-Q30 PolarHBondContact O-N 3.46Å; Q30-E32 VanDerWaalsContact C-N 3.33Å; Q30-L33 PolarHBondContact O-N 3Å; Q30-Q34 WeakPolarHBondContact O-CG 3.26Å; Q30-Q34 PolarHBondContact O-N 3.3Å
31R90.7Very high83.6Confident165 Ų16596 Ų9662%0.62346%0.461SS*.Hα-helixtrans-63.6-40.4174.9-73.2-177-143.2132.24.7111.7H27 A28 I29 Q34 R35H27-R31 WeakPolarHBondContact O-CG 3.43Å; H27-R31 PolarHBondContact O-N 3.03Å; A28-R31 PolarHBondContact O-N 2.98Å; I29-R31 PolarHBondContact O-N 3.22Å; R31-Q34 PolarHBondContact O-N 3.48Å; R31-R35 WeakPolarHBondContact O-CB 3.42Å; R31-R35 PolarHBondContact O-N 2.72Å
32E92.9Very high84.7Confident72 Ų7291.6 Ų91.634%0.33644%0.44SS..Hα-helixtrans-68.6-40.6179-159.159.3-152.200111.4A28 I29 Q30 Q34 R35 L36A28-E32 PolarHBondContact O-N 3.48Å; A28-E32 VanDerWaalsContact O-N 3.09Å; I29-E32 PolarHBondContact O-N 3.48Å; Q30-E32 VanDerWaalsContact C-N 3.33Å; E32-Q34 VanDerWaalsContact C-N 3.35Å; E32-Q34 PolarHBondContact O-N 2.87Å; E32-R35 WeakPolarHBondContact O-CB 3.07Å; E32-R35 PolarHBondContact O-N 2.98Å; E32-R35 IonicContact OE1-NE 3.87Å; E32-L36 WeakPolarHBondContact O-CG 3.36Å; E32-L36 PolarHBondContact O-N 3.3Å
33L90.1Very high85.9Confident57 Ų5790.7 Ų90.730%0.29844%0.435SS..Hα-helixtrans-59.1-43.2172.1-86.3160.7000112.3I29 Q30 L36 T37I29-L33 HydrophobicContact CG2-CD1 3.96Å; I29-L33 WeakPolarHBondContact O-CB 3.47Å; I29-L33 PolarHBondContact O-N 2.93Å; Q30-L33 PolarHBondContact O-N 3Å; L33-L36 PolarHBondContact O-N 2.78Å; L33-T37 WeakPolarHBondContact O-CB 3.41Å; L33-T37 PolarHBondContact O-N 2.86Å; L33-T37 PolarHBondContact O-OG1 3.38Å
34Q93.1Very high86.5Confident122 Ų12288.6 Ų88.657%0.5743%0.427SS*.Hα-helixtrans-62.7-43.1174.7-77.9-177.5-32.200111.9Q30 R31 E32 T37 Q38Q30-Q34 WeakPolarHBondContact O-CG 3.26Å; Q30-Q34 PolarHBondContact O-N 3.3Å; R31-Q34 PolarHBondContact O-N 3.48Å; E32-Q34 VanDerWaalsContact C-N 3.35Å; E32-Q34 PolarHBondContact O-N 2.87Å; Q34-T37 PolarHBondContact O-N 2.72Å; Q34-Q38 PolarHBondContact O-N 3.39Å
35R93.2Very high86.7Confident131 Ų13187.9 Ų87.949%0.49442%0.423SS..Hα-helixtrans-62.2-43.2177.2-179.2-173.7163.7110.82.6111.9R31 E32 Q38 R39R31-R35 WeakPolarHBondContact O-CB 3.42Å; R31-R35 PolarHBondContact O-N 2.72Å; E32-R35 WeakPolarHBondContact O-CB 3.07Å; E32-R35 PolarHBondContact O-N 2.98Å; E32-R35 IonicContact OE1-NE 3.87Å; R35-Q38 PolarHBondContact O-N 3.11Å; R35-R39 PolarHBondContact O-N 2.9Å; R35-R39 VanDerWaalsContact O-N 3.09Å
36L92.1Very high86.9Confident35 Ų3588.3 Ų88.318%0.18343%0.425CS..Hα-helixtrans-67.2-38.7177-70.5175.7000112E32 L33 R39 Q40E32-L36 WeakPolarHBondContact O-CG 3.36Å; E32-L36 PolarHBondContact O-N 3.3Å; L33-L36 PolarHBondContact O-N 2.78Å; L36-R39 PolarHBondContact O-N 2.83Å; L36-Q40 PolarHBondContact O-N 3.18Å
37T92.1Very high86.9Confident72 Ų7290.9 Ų90.944%0.44244%0.435SS..Hα-helixtrans-63.8-42.2176.5-55.90000111.2L33 Q34 Q40 L41L33-T37 WeakPolarHBondContact O-CB 3.41Å; L33-T37 PolarHBondContact O-N 2.86Å; L33-T37 PolarHBondContact O-OG1 3.38Å; Q34-T37 PolarHBondContact O-N 2.72Å; T37-Q40 WeakPolarHBondContact O-CB 3.25Å; T37-Q40 PolarHBondContact O-N 3.48Å; T37-L41 PolarHBondContact O-N 2.92Å; T37-L41 VanDerWaalsContact O-N 3.13Å
38Q92.1Very high86.6Confident103 Ų10389.9 Ų89.948%0.48144%0.441SS..Hα-helixtrans-62.4-45.1175.7-177.159.530.500111.8Q34 R35 Q40 L41 E42Q34-Q38 PolarHBondContact O-N 3.39Å; R35-Q38 PolarHBondContact O-N 3.11Å; Q38-Q40 VanDerWaalsContact C-N 3.27Å; Q38-Q40 PolarHBondContact O-N 2.81Å; Q38-L41 WeakPolarHBondContact O-CB 3.45Å; Q38-L41 PolarHBondContact O-N 3.14Å; Q38-E42 PolarHBondContact NE2-OE1 3.35Å; Q38-E42 PolarHBondContact O-N 3.28Å; Q38-E42 VanDerWaalsContact O-N 3.09Å
39R89.8Confident86.2Confident127 Ų12793.9 Ų93.948%0.47945%0.452SS..Hα-helixtrans-59.9-37.5173.8-83.9-177.4169.4-177.5-7.2112.8R35 L36 L41 E42 L43R35-R39 PolarHBondContact O-N 2.9Å; R35-R39 VanDerWaalsContact O-N 3.09Å; L36-R39 PolarHBondContact O-N 2.83Å; R39-L41 VanDerWaalsContact C-N 3.32Å; R39-L41 PolarHBondContact O-N 3.2Å; R39-E42 PolarHBondContact O-N 2.85Å; R39-L43 WeakPolarHBondContact O-CG 3.42Å; R39-L43 PolarHBondContact O-N 3.43Å
40Q84.8Confident85.6Confident103 Ų10398.8 Ų98.848%0.48148%0.477SS..Hα-helixtrans-65.4-37.6178.8-168.3175.420.800111.9L36 T37 Q38 T44L36-Q40 PolarHBondContact O-N 3.18Å; T37-Q40 WeakPolarHBondContact O-CB 3.25Å; T37-Q40 PolarHBondContact O-N 3.48Å; Q38-Q40 VanDerWaalsContact C-N 3.27Å; Q38-Q40 PolarHBondContact O-N 2.81Å; Q40-T44 VanDerWaalsContact O-CB 3.29Å; Q40-T44 WeakPolarHBondContact O-CB 3.5Å; Q40-T44 PolarHBondContact O-N 3.01Å; Q40-T44 PolarHBondContact O-OG1 2.96Å
41L86.6Confident85Confident92 Ų9298.4 Ų98.448%0.48248%0.481SS..Hα-helixtrans-64.8-46.8173.5-70.3170.3000111.4T37 Q38 R39 L43 T44 D45T37-L41 PolarHBondContact O-N 2.92Å; T37-L41 VanDerWaalsContact O-N 3.13Å; Q38-L41 WeakPolarHBondContact O-CB 3.45Å; Q38-L41 PolarHBondContact O-N 3.14Å; R39-L41 VanDerWaalsContact C-N 3.32Å; R39-L41 PolarHBondContact O-N 3.2Å; L41-L43 PolarHBondContact O-N 3.09Å; L41-T44 PolarHBondContact O-N 3.48Å; L41-T44 VanDerWaalsContact O-N 3.13Å; L41-D45 PolarHBondContact O-N 2.97Å
42E86.9Confident84.1Confident96 Ų9696 Ų9645%0.44948%0.478SS..Hα-helixtrans-57.7-47.3177.3-71.3166.3-169.800111.7Q38 R39 T44 D45 E46Q38-E42 PolarHBondContact NE2-OE1 3.35Å; Q38-E42 PolarHBondContact O-N 3.28Å; Q38-E42 VanDerWaalsContact O-N 3.09Å; R39-E42 PolarHBondContact O-N 2.85Å; E42-T44 VanDerWaalsContact C-N 3.3Å; E42-T44 PolarHBondContact O-N 3.33Å; E42-D45 PolarHBondContact O-N 2.94Å; E42-E46 WeakPolarHBondContact O-CG 3.46Å; E42-E46 PolarHBondContact O-N 3.37Å
43L83.5Confident82.9Confident89 Ų8999.7 Ų99.747%0.46649%0.491SS..Hα-helixtrans-67.4-31178-68.5174.6000112.9R39 L41 Q47R39-L43 WeakPolarHBondContact O-CG 3.42Å; R39-L43 PolarHBondContact O-N 3.43Å; L41-L43 PolarHBondContact O-N 3.09Å; L43-Q47 WeakPolarHBondContact O-CB 3.39Å; L43-Q47 VanDerWaalsContact O-CG 3.27Å; L43-Q47 WeakPolarHBondContact O-CG 3.43Å; L43-Q47 PolarHBondContact O-N 3.36Å
44T85Confident81.7Confident71 Ų71100.3 Ų100.344%0.43650%0.499SS..Hα-helixtrans-72.5-38.8177-60.90000110.7Q40 L41 E42 Q47 A48Q40-T44 VanDerWaalsContact O-CB 3.29Å; Q40-T44 WeakPolarHBondContact O-CB 3.5Å; Q40-T44 PolarHBondContact O-N 3.01Å; Q40-T44 PolarHBondContact O-OG1 2.96Å; L41-T44 PolarHBondContact O-N 3.48Å; L41-T44 VanDerWaalsContact O-N 3.13Å; E42-T44 VanDerWaalsContact C-N 3.3Å; E42-T44 PolarHBondContact O-N 3.33Å; T44-Q47 PolarHBondContact O-N 3.28Å; T44-A48 WeakPolarHBondContact O-CB 3.45Å; T44-A48 PolarHBondContact O-N 2.82Å
45D80.2Confident80.2Confident112 Ų11296.4 Ų96.460%0.59949%0.485SS*.Hα-helixtrans-64.9-43.4173.4-76-9.3000110.8L41 E42 Q47 A48 E49L41-D45 PolarHBondContact O-N 2.97Å; E42-D45 PolarHBondContact O-N 2.94Å; D45-Q47 PolarHBondContact O-N 3.44Å; D45-A48 WeakPolarHBondContact O-CB 3.2Å; D45-A48 PolarHBondContact O-N 2.89Å; D45-E49 PolarHBondContact O-N 3.23Å
46E80.2Confident78.4Confident111 Ų11193.9 Ų93.952%0.51948%0.484SS..Hα-helixtrans-61.3-41.6173.2-73.6179.2-175.200112.1E42 A48 E49 L50E42-E46 WeakPolarHBondContact O-CG 3.46Å; E42-E46 PolarHBondContact O-N 3.37Å; E46-A48 VanDerWaalsContact C-N 3.35Å; E46-E49 PolarHBondContact O-N 2.72Å; E46-L50 WeakPolarHBondContact O-CB 3.46Å; E46-L50 VanDerWaalsContact O-CG 3.32Å; E46-L50 WeakPolarHBondContact O-CG 3.01Å; E46-L50 PolarHBondContact O-N 2.9Å
47Q74Confident76.6Confident120 Ų120100.3 Ų100.356%0.56151%0.506SS*.Hα-helixtrans-65-38174.6-79.5177.5-7.600112.2L43 T44 D45 T51L43-Q47 WeakPolarHBondContact O-CB 3.39Å; L43-Q47 VanDerWaalsContact O-CG 3.27Å; L43-Q47 WeakPolarHBondContact O-CG 3.43Å; L43-Q47 PolarHBondContact O-N 3.36Å; T44-Q47 PolarHBondContact O-N 3.28Å; D45-Q47 PolarHBondContact O-N 3.44Å; Q47-T51 VanDerWaalsContact O-CB 3.24Å; Q47-T51 WeakPolarHBondContact O-CB 3.34Å; Q47-T51 PolarHBondContact O-N 2.86Å; Q47-T51 PolarHBondContact O-OG1 3.34Å
48A74Confident74.6Confident57 Ų57103.4 Ų103.447%0.47152%0.515SS..Hα-helixtrans-66-41.5174.900000111.2T44 D45 E46 T51 M52T44-A48 WeakPolarHBondContact O-CB 3.45Å; T44-A48 PolarHBondContact O-N 2.82Å; D45-A48 WeakPolarHBondContact O-CB 3.2Å; D45-A48 PolarHBondContact O-N 2.89Å; E46-A48 VanDerWaalsContact C-N 3.35Å; A48-T51 PolarHBondContact O-N 3.36Å; A48-M52 WeakPolarHBondContact O-CB 3.44Å; A48-M52 PolarHBondContact O-N 3.28Å
49E76.7Confident72.7Confident131 Ų131108 Ų10861%0.61253%0.528SS*.Hα-helixtrans-63.9-45.7175.7-170.9176.8-176.800111.5D45 E46 M52 Y53D45-E49 PolarHBondContact O-N 3.23Å; E46-E49 PolarHBondContact O-N 2.72Å; E49-M52 PolarHBondContact O-N 2.93Å; E49-Y53 WeakPolarHBondContact O-CB 3.31Å; E49-Y53 PolarHBondContact O-N 2.82Å
50L70.7Confident70.7Confident113 Ų113106.2 Ų106.259%0.59253%0.531SS*.Hα-helixtrans-64.5-40.1175.5-73172.7000112E46 M52 Y53 C54E46-L50 WeakPolarHBondContact O-CB 3.46Å; E46-L50 VanDerWaalsContact O-CG 3.32Å; E46-L50 WeakPolarHBondContact O-CG 3.01Å; E46-L50 PolarHBondContact O-N 2.9Å; L50-M52 VanDerWaalsContact C-N 3.34Å; L50-Y53 PolarHBondContact O-N 3.25Å; L50-C54 WeakPolarHBondContact O-CB 3.42Å; L50-C54 PolarHBondContact O-N 2.87Å; L50-C54 PolarHBondContact O-SG 3.42Å; L50-C54 VanDerWaalsContact O-SG 3.41Å
51T77.1Confident68.6Low87 Ų87104.7 Ų104.753%0.53454%0.536SS..Hα-helixtrans-66.1-40.1177.1-590000110.9Q47 A48 S55Q47-T51 VanDerWaalsContact O-CB 3.24Å; Q47-T51 WeakPolarHBondContact O-CB 3.34Å; Q47-T51 PolarHBondContact O-N 2.86Å; Q47-T51 PolarHBondContact O-OG1 3.34Å; A48-T51 PolarHBondContact O-N 3.36Å; T51-S55 VanDerWaalsContact O-CB 3.25Å; T51-S55 WeakPolarHBondContact O-CB 3.46Å; T51-S55 PolarHBondContact O-N 2.91Å; T51-S55 PolarHBondContact O-OG 3.49Å
52M71.6Confident66.5Low114 Ų114106.5 Ų106.556%0.56255%0.551SS**Hα-helixtrans-64-45.2172.6-177.1-173.160.900110.6A48 E49 L50 C54 S55 V56A48-M52 WeakPolarHBondContact O-CB 3.44Å; A48-M52 PolarHBondContact O-N 3.28Å; E49-M52 PolarHBondContact O-N 2.93Å; L50-M52 VanDerWaalsContact C-N 3.34Å; M52-C54 PolarHBondContact O-N 2.95Å; M52-S55 CarbonylContact O-C 3.54Å; M52-S55 PolarHBondContact O-N 3.38Å; M52-V56 HydrophobicContact CG-CG2 4.25Å; M52-V56 WeakPolarHBondContact O-CB 3.34Å; M52-V56 VanDerWaalsContact O-CG2 3.22Å; M52-V56 WeakPolarHBondContact O-CG2 3.36Å; M52-V56 PolarHBondContact O-N 3.22Å
53Y66.6Low64.3Low151 Ų151110.8 Ų110.859%0.59257%0.568SS**Hα-helixtrans-63.5-41.7178.3-168.4-94000112E49 L50 V56 R57E49-Y53 WeakPolarHBondContact O-CB 3.31Å; E49-Y53 PolarHBondContact O-N 2.82Å; L50-Y53 PolarHBondContact O-N 3.25Å; Y53-V56 PolarHBondContact O-N 3.49Å; Y53-R57 WeakPolarHBondContact O-CB 3.29Å; Y53-R57 PolarHBondContact O-N 3.22Å
54C64.9Low62Low70 Ų70115.1 Ų115.147%0.47359%0.586SS.*Hα-helixtrans-62.7-42.9171.4-74.30000111.6L50 M52 V56 R57 E58L50-C54 WeakPolarHBondContact O-CB 3.42Å; L50-C54 PolarHBondContact O-N 2.87Å; L50-C54 PolarHBondContact O-SG 3.42Å; L50-C54 VanDerWaalsContact O-SG 3.41Å; M52-C54 PolarHBondContact O-N 2.95Å; C54-V56 VanDerWaalsContact C-N 3.34Å; C54-V56 PolarHBondContact O-N 2.99Å; C54-R57 PolarHBondContact O-N 2.69Å; C54-E58 WeakPolarHBondContact O-CB 3.43Å; C54-E58 WeakPolarHBondContact O-CG 3.43Å; C54-E58 PolarHBondContact O-N 3.25Å
55S61.6Low59.6Low40 Ų40120.8 Ų120.828%0.2861%0.608SS.*Hα-helixtrans-67.3-31.2176.8-62.70000113.4T51 M52 R59T51-S55 VanDerWaalsContact O-CB 3.25Å; T51-S55 WeakPolarHBondContact O-CB 3.46Å; T51-S55 PolarHBondContact O-N 2.91Å; T51-S55 PolarHBondContact O-OG 3.49Å; M52-S55 CarbonylContact O-C 3.54Å; M52-S55 PolarHBondContact O-N 3.38Å; S55-R59 WeakPolarHBondContact O-CB 3.25Å; S55-R59 VanDerWaalsContact O-CG 3.32Å; S55-R59 WeakPolarHBondContact O-CG 3.46Å; S55-R59 PolarHBondContact O-N 3.5Å; S55-R59 PolarHBondContact O-NE 3.37Å
56V56.1Low57.7Low77 Ų77120 Ų12047%0.46761%0.609SS.*Hα-helixtrans-75.6-43174.1170.40000109.5M52 Y53 C54 R59 T60M52-V56 HydrophobicContact CG-CG2 4.25Å; M52-V56 WeakPolarHBondContact O-CB 3.34Å; M52-V56 VanDerWaalsContact O-CG2 3.22Å; M52-V56 WeakPolarHBondContact O-CG2 3.36Å; M52-V56 PolarHBondContact O-N 3.22Å; Y53-V56 PolarHBondContact O-N 3.49Å; C54-V56 VanDerWaalsContact C-N 3.34Å; C54-V56 PolarHBondContact O-N 2.99Å; V56-R59 CarbonylContact O-C 3.53Å; V56-R59 PolarHBondContact O-N 3.09Å; V56-R59 VanDerWaalsContact O-N 3.15Å; V56-T60 PolarHBondContact O-N 2.85Å; V56-T60 PolarHBondContact O-OG1 3.38Å
57R54.1Low55.5Low170 Ų170124.8 Ų124.864%0.64262%0.624SS**Hα-helixtrans-65.2-37.9176.4-172.8176.9175.4-171.2-1.6112.2Y53 C54 R59 T60 A61Y53-R57 WeakPolarHBondContact O-CB 3.29Å; Y53-R57 PolarHBondContact O-N 3.22Å; C54-R57 PolarHBondContact O-N 2.69Å; R57-R59 VanDerWaalsContact C-N 3.34Å; R57-T60 WeakPolarHBondContact CA-OG1 3.5Å; R57-T60 PolarHBondContact O-N 3Å; R57-T60 PolarHBondContact O-OG1 3.13Å; R57-A61 WeakPolarHBondContact O-CB 3.49Å; R57-A61 PolarHBondContact O-N 3.48Å
58E50.4Low53.8Low137 Ų137124.4 Ų124.464%0.6463%0.629SS**Hα-helixtrans-67.9-35172.1-77179.4178.800111.5C54 V62C54-E58 WeakPolarHBondContact O-CB 3.43Å; C54-E58 WeakPolarHBondContact O-CG 3.43Å; C54-E58 PolarHBondContact O-N 3.25Å; E58-V62 WeakPolarHBondContact O-CG2 3.47Å; E58-V62 PolarHBondContact O-N 3.45Å
59R51.1Low51.9Low199 Ų199129.2 Ų129.275%0.75164%0.642SS**Hα-helixtrans-73.1-25.5174.1-79.3-175.2-114.5-158.7-4.5114.1S55 V56 R57S55-R59 WeakPolarHBondContact O-CB 3.25Å; S55-R59 VanDerWaalsContact O-CG 3.32Å; S55-R59 WeakPolarHBondContact O-CG 3.46Å; S55-R59 PolarHBondContact O-N 3.5Å; S55-R59 PolarHBondContact O-NE 3.37Å; V56-R59 CarbonylContact O-C 3.53Å; V56-R59 PolarHBondContact O-N 3.09Å; V56-R59 VanDerWaalsContact O-N 3.15Å; R57-R59 VanDerWaalsContact C-N 3.34Å
60T48Very low50.3Low90 Ų90128.8 Ų128.855%0.55265%0.648SS**Hα-helixtrans-89.7-27.1172.955.50000112.8V56 R57 V62 K63V56-T60 PolarHBondContact O-N 2.85Å; V56-T60 PolarHBondContact O-OG1 3.38Å; R57-T60 WeakPolarHBondContact CA-OG1 3.5Å; R57-T60 PolarHBondContact O-N 3Å; R57-T60 PolarHBondContact O-OG1 3.13Å; T60-V62 VanDerWaalsContact C-N 3.3Å; T60-V62 PolarHBondContact O-N 3.5Å; T60-K63 PolarHBondContact O-N 2.9Å; T60-K63 VanDerWaalsContact O-N 3.17Å
61A40.6Very low48.7Very low71 Ų71131.7 Ų131.759%0.58766%0.659SS**Hα-helixtrans-71-21.2175.900000113.5R57 K63R57-A61 WeakPolarHBondContact O-CB 3.49Å; R57-A61 PolarHBondContact O-N 3.48Å; A61-K63 PolarHBondContact O-N 3.31Å
62V42.9Very low46.6Very low130 Ų130134.2 Ų134.279%0.78867%0.674SS**THydrogen-bonded Turntrans-80.16.9172.5179.80000112.2E58 T60E58-V62 WeakPolarHBondContact O-CG2 3.47Å; E58-V62 PolarHBondContact O-N 3.45Å; T60-V62 VanDerWaalsContact C-N 3.3Å; T60-V62 PolarHBondContact O-N 3.5Å
63K40.5Very low45Very low186 Ų186134.4 Ų134.481%0.80969%0.686SS**THydrogen-bonded Turntrans-123.835.8178.4-129.7-178.2-172.9-1770113.9T60 A61T60-K63 PolarHBondContact O-N 2.9Å; T60-K63 VanDerWaalsContact O-N 3.17Å; A61-K63 PolarHBondContact O-N 3.31Å
64E36.9Very low43.6Very low181 Ų181136.1 Ų136.185%0.84670%0.7SS**  trans-134.977.1161.6-70.8-169.2169.400109.7
65E34.5Very low42.1Very low190 Ų190137.4 Ų137.489%0.88872%0.716SS**  trans-122.3145.7148.8-105.3-144.4146.400109.1
66P39.8Very low41Very low96 Ų96145 Ų14562%0.62375%0.746SS**  trans-90.3154.7-13232.8-33000112.3V68P66-V68 VanDerWaalsContact C-N 3.3Å; P66-V68 PolarHBondContact O-N 2.94Å
67Y32.6Very low40Very low211 Ų211147.9 Ų147.983%0.82776%0.76SS**  trans-56.591.9169.2-166.6-98.7000109.2E69Y67-E69 HydrophobicContact CD1-CB 4.23Å; Y67-E69 HydrophobicContact CE1-CB 4.17Å; Y67-E69 HydrophobicContact CE1-CG 4.23Å; Y67-E69 PolarHBondContact O-N 3.45Å; Y67-E69 VanDerWaalsContact O-N 3.15Å
68V38.7Very low39Very low112 Ų112146.8 Ų146.868%0.67977%0.765SS**  trans-76.999.2166-171.60000105.5P66 V70P66-V68 VanDerWaalsContact C-N 3.3Å; P66-V68 PolarHBondContact O-N 2.94Å; V68-V70 HydrophobicContact CB-CG2 4.34Å; V68-V70 HydrophobicContact CG1-CG2 3.7Å; V68-V70 PolarHBondContact O-N 2.95Å
69E35Very low38.7Very low157 Ų157151.9 Ų151.973%0.73478%0.778SS**  trans-62.784.6165.8-160.4169.4-150.400107.1Y67 E71Y67-E69 HydrophobicContact CD1-CB 4.23Å; Y67-E69 HydrophobicContact CE1-CB 4.17Å; Y67-E69 HydrophobicContact CE1-CG 4.23Å; Y67-E69 PolarHBondContact O-N 3.45Å; Y67-E69 VanDerWaalsContact O-N 3.15Å; E69-E71 PolarHBondContact O-N 2.89Å
70V42.9Very low37.8Very low123 Ų123151.7 Ų151.775%0.74579%0.786SS**  trans-78.9104171.7177.20000106.2V68 T72V68-V70 HydrophobicContact CB-CG2 4.34Å; V68-V70 HydrophobicContact CG1-CG2 3.7Å; V68-V70 PolarHBondContact O-N 2.95Å; V70-T72 PolarHBondContact O-N 3.24Å
71E36.5Very low37.3Very low174 Ų174158.8 Ų158.881%0.81380%0.803SS**  trans-42.8133.3174.7-69.8178.7138.700111.7E69 S73E69-E71 PolarHBondContact O-N 2.89Å; E71-S73 PolarHBondContact O-N 3.47Å; E71-S73 VanDerWaalsContact O-N 3.11Å
72T32.8Very low37.3Very low139 Ų139160.5 Ų160.585%0.85381%0.807SS**  trans-50.4109.4168.5470000110.4V70V70-T72 PolarHBondContact O-N 3.24Å
73S39Very low37.1Very low118 Ų118165.5 Ų165.583%0.82581%0.812SS**  trans-117.4101.9159.6-150.40000108.3E71 A75E71-S73 PolarHBondContact O-N 3.47Å; E71-S73 VanDerWaalsContact O-N 3.11Å; S73-A75 PolarHBondContact O-N 2.87Å
74E36.1Very low36.7Very low188 Ų188164.2 Ų164.288%0.87981%0.814SS**  trans-51.2118.2169.2-62171.9134.600109.8
75A34.9Very low37Very low97 Ų97160.5 Ų160.580%0.80281%0.808SS**  trans-143.876.8159.400000107.3S73 D77S73-A75 PolarHBondContact O-N 2.87Å; A75-D77 PolarHBondContact O-N 3.4Å
76E36.7Very low37.3Very low198 Ų198162.7 Ų162.793%0.92581%0.808SS**  trans-57.9111.9156.5-73.9-179128.300108.7
77D36Very low37.4Very low139 Ų139162.9 Ų162.974%0.74381%0.812SS**  trans-152.391.8147.7-160.314.2000111.8A75A75-D77 PolarHBondContact O-N 3.4Å
78I34.1Very low37.9Very low147 Ų147158 Ų15875%0.75481%0.806SS**  trans23.3101.6133.3-47.9170.7000115.9
79R42.5Very low38.1Very low243 Ų243157.2 Ų157.292%0.91781%0.811SS**  -156.894.7126-80-147.5-179.1173.40.8110.7R81R79-R81 PolarHBondContact O-N 3.43Å
80Q32.6Very low38.7Very low196 Ų196155.8 Ų155.892%0.91681%0.813SS**  trans-64.5120.5161.5-69.4176.43.400109.9
81R38.4Very low38.6Very low239 Ų239159.3 Ų159.390%0.90281%0.813SS**  trans-149.3150.7154.5-116.1-145.1165.6132.4-3.3109.5R79R79-R81 PolarHBondContact O-N 3.43Å
82P39.2Very low38.9Very low106 Ų106162.2 Ų162.269%0.68882%0.816SS**  trans-98.5133-134.57.513.2000112.6N84P82-N84 PolarHBondContact O-N 2.89Å
83R40Very low39.2Very low236 Ų236159.2 Ų159.289%0.89180%0.795SS**  24.483.1123.4-144.9178.8-163.4166.24.1115.1
84N32.6Very low39.3Very low159 Ų159160.4 Ų160.485%0.8579%0.787SS**  trans-142.349.6150.3-124.30.3000110.2P82 R86P82-N84 PolarHBondContact O-N 2.89Å; N84-R86 PolarHBondContact O-N 3.3Å
85S42.9Very low39.7Very low103 Ų103160.2 Ų160.272%0.7279%0.786SS**  trans-73.982.7167.3-35.60000107.4S87S85-S87 PolarHBondContact O-N 3.43Å
86R40.1Very low40.4Very low236 Ų236162.5 Ų162.589%0.89178%0.78SS**  trans-57.583.7161.4-167.9-175.2-115177.1-2.7106.3N84 P88N84-R86 PolarHBondContact O-N 3.3Å; R86-P88 VanDerWaalsContact O-CD 3.26Å; R86-P88 WeakPolarHBondContact O-CD 3.35Å; R86-P88 VanDerWaalsContact O-N 3.14Å
87S41.8Very low40.7Very low100 Ų100159.8 Ų159.870%0.69977%0.771SS**  trans-62.9114.9175.8-65.40000105.9S85 A89S85-S87 PolarHBondContact O-N 3.43Å; S87-A89 PolarHBondContact O-N 3.19Å
88P43.2Very low41.4Very low108 Ų108156.2 Ų156.270%0.70176%0.76SS**  trans-60.2129.3176.4-12.225.5000106.2R86 V90R86-P88 VanDerWaalsContact O-CD 3.26Å; R86-P88 WeakPolarHBondContact O-CD 3.35Å; R86-P88 VanDerWaalsContact O-N 3.14Å; P88-V90 VanDerWaalsContact C-N 3.29Å; P88-V90 PolarHBondContact O-N 2.87Å
89A43.1Very low42.5Very low95 Ų95152.5 Ų152.579%0.78575%0.748SS**  trans-50.4105161.200000106S87 R91S87-A89 PolarHBondContact O-N 3.19Å; A89-R91 PolarHBondContact O-N 2.92Å
90V46.6Very low43.7Very low127 Ų127143.9 Ų143.977%0.7773%0.725SS**  trans-65.589.7172.5173.10000104.4P88 R92P88-V90 VanDerWaalsContact C-N 3.29Å; P88-V90 PolarHBondContact O-N 2.87Å; V90-R92 PolarHBondContact O-N 3.02Å
91R40.5Very low45.6Very low198 Ų198137.5 Ų137.575%0.74770%0.702SS**  trans-65.189.3174.3-155.6-176.4154.7-177-4.3104.4A89 N93A89-R91 PolarHBondContact O-N 2.92Å; R91-N93 WeakPolarHBondContact CD-ND2 3.41Å; R91-N93 WeakPolarHBondContact CG-ND2 3.49Å; R91-N93 WeakPolarHBondContact CG-OD1 3.22Å; R91-N93 PolarHBondContact NE-ND2 2.87Å; R91-N93 PolarHBondContact NE-OD1 3.34Å; R91-N93 PolarHBondContact O-N 3.33Å
92R44.3Very low47.5Very low234 Ų234130 Ų13088%0.88368%0.68SS**  trans-64.176.6167-80.1-173.2-172.5141.40.7107.2V90 H94V90-R92 PolarHBondContact O-N 3.02Å; R92-H94 PolarHBondContact O-N 2.95Å
93N38.6Very low49.5Very low77 Ų77132.2 Ų132.241%0.41268%0.675SS.*  trans-84.3109.2170.3-71-38.5000107.8R91R91-N93 WeakPolarHBondContact CD-ND2 3.41Å; R91-N93 WeakPolarHBondContact CG-ND2 3.49Å; R91-N93 WeakPolarHBondContact CG-OD1 3.22Å; R91-N93 PolarHBondContact NE-ND2 2.87Å; R91-N93 PolarHBondContact NE-OD1 3.34Å; R91-N93 PolarHBondContact O-N 3.33Å
94H41.1Very low51.5Low142 Ų142124.9 Ų124.966%0.65765%0.651SS**  trans62.383.5137.1-53.1-53.7000118.9R92 H96R92-H94 PolarHBondContact O-N 2.95Å; H94-H96 VanDerWaalsContact C-N 3.25Å
95H45Very low54Low185 Ų185121.9 Ų121.986%0.85663%0.634SS**SBendtrans-85.112.8149.2-80.1-72.1000113.4L97H95-L97 PolarHBondContact O-N 3.32Å
96H48.6Very low55.9Low145 Ų145124.9 Ų124.967%0.67163%0.631SS**THydrogen-bonded Turntrans-83.3-5.2-172.4-155.8-69.1000114.6H94H94-H96 VanDerWaalsContact C-N 3.25Å
97L43.1Very low58Low141 Ų141119.8 Ų119.874%0.73861%0.612SS**THydrogen-bonded Turntrans-91.8-28-178.1-72.6161.9000113.4H95 S100H95-L97 PolarHBondContact O-N 3.32Å; L97-S100 PolarHBondContact O-N 3.4Å
98A51.5Low60.2Low63 Ų63118.1 Ų118.152%0.52160%0.6SS.*Hα-helixtrans-70.1-35.6179.200000112.4S100A98-S100 VanDerWaalsContact C-N 3.28Å; A98-S100 PolarHBondContact O-N 3.19Å
99S56.6Low62.3Low70 Ų70117.1 Ų117.149%0.4959%0.587SS.*Hα-helixtrans-71.2-24.4178.376.70000113.1Y103S99-Y103 WeakPolarHBondContact O-CB 3.37Å; S99-Y103 PolarHBondContact O-N 2.68Å
100S67.5Low64.4Low62 Ų62119.3 Ų119.343%0.43458%0.579SS.*Hα-helixtrans-73.1-46.3-176.6-170.60000111.7L97 A98 Q104L97-S100 PolarHBondContact O-N 3.4Å; A98-S100 VanDerWaalsContact C-N 3.28Å; A98-S100 PolarHBondContact O-N 3.19Å; S100-Q104 WeakPolarHBondContact O-CB 3.44Å; S100-Q104 WeakPolarHBondContact O-CG 3.27Å; S100-Q104 PolarHBondContact O-N 3.35Å
101S72.4Confident66.5Low62 Ų62116 Ų11643%0.43456%0.557SS.*Hα-helixtrans-67.1-43.6179.766.50000111.5Y103 Q104 I105S101-Y103 PolarHBondContact O-N 2.93Å; S101-Q104 PolarHBondContact O-N 2.88Å; S101-I105 VanDerWaalsContact O-CG1 3.28Å; S101-I105 WeakPolarHBondContact O-CG1 3.47Å; S101-I105 PolarHBondContact O-N 3.13Å
102D79.7Confident68.8Low82 Ų82112.2 Ų112.244%0.43955%0.546SS..Hα-helixtrans-63.8-46.5-178.7-66.7-5.2000109.9Q104 I105 Y106D102-Q104 VanDerWaalsContact C-N 3.3Å; D102-Q104 PolarHBondContact O-N 2.86Å; D102-I105 PolarHBondContact O-N 2.85Å; D102-I105 VanDerWaalsContact O-N 3.15Å; D102-Y106 HydrophobicContact CB-CD2 4.4Å; D102-Y106 HydrophobicContact CB-CE2 4.22Å; D102-Y106 WeakPolarHBondContact O-CD2 3.44Å; D102-Y106 PolarHBondContact O-N 3.37Å
103Y79.5Confident70.7Confident151 Ų151105.6 Ų105.659%0.59253%0.526SS*.Hα-helixtrans-58.1-41.5175.3-179.6-102.6000112.5S99 S101 Y106 R107S99-Y103 WeakPolarHBondContact O-CB 3.37Å; S99-Y103 PolarHBondContact O-N 2.68Å; S101-Y103 PolarHBondContact O-N 2.93Å; Y103-Y106 PolarHBondContact O-N 3.48Å; Y103-R107 VanDerWaalsContact O-CB 3.31Å; Y103-R107 WeakPolarHBondContact O-CB 3.28Å; Y103-R107 PolarHBondContact O-N 3.46Å
104Q82.2Confident73Confident83 Ų83107.9 Ų107.939%0.38853%0.53SS..Hα-helixtrans-65.5-41.2177.1-68.7-78.159.100111.7S100 S101 D102 R107 C108S100-Q104 WeakPolarHBondContact O-CB 3.44Å; S100-Q104 WeakPolarHBondContact O-CG 3.27Å; S100-Q104 PolarHBondContact O-N 3.35Å; S101-Q104 PolarHBondContact O-N 2.88Å; D102-Q104 VanDerWaalsContact C-N 3.3Å; D102-Q104 PolarHBondContact O-N 2.86Å; Q104-R107 PolarHBondContact O-N 3.43Å; Q104-C108 PolarHBondContact O-N 2.95Å; Q104-C108 PolarHBondContact O-SG 2.93Å
105I85Confident75.1Confident96 Ų96102 Ų10249%0.49250%0.504SS..Hα-helixtrans-62.9-48.3175.8-66.5163.2000110.3S101 D102 R107 C108 I109S101-I105 VanDerWaalsContact O-CG1 3.28Å; S101-I105 WeakPolarHBondContact O-CG1 3.47Å; S101-I105 PolarHBondContact O-N 3.13Å; D102-I105 PolarHBondContact O-N 2.85Å; D102-I105 VanDerWaalsContact O-N 3.15Å; I105-R107 VanDerWaalsContact C-N 3.3Å; I105-R107 PolarHBondContact O-N 3.42Å; I105-C108 WeakPolarHBondContact O-CB 3.33Å; I105-C108 PolarHBondContact O-N 3.49Å; I105-I109 HydrophobicContact CG2-CD1 3.81Å; I105-I109 HydrophobicContact CG2-CG1 4.47Å; I105-I109 WeakPolarHBondContact O-CG1 3.41Å; I105-I109 PolarHBondContact O-N 2.86Å
106Y82.8Confident76.9Confident166 Ų16698.7 Ų98.765%0.65149%0.485SS*.Hα-helixtrans-59.1-42176.4-76.2-66.2000111.8D102 Y103 C108 I109 F110D102-Y106 HydrophobicContact CB-CD2 4.4Å; D102-Y106 HydrophobicContact CB-CE2 4.22Å; D102-Y106 WeakPolarHBondContact O-CD2 3.44Å; D102-Y106 PolarHBondContact O-N 3.37Å; Y103-Y106 PolarHBondContact O-N 3.48Å; Y106-C108 PolarHBondContact O-N 3.38Å; Y106-I109 PolarHBondContact O-N 2.95Å; Y106-F110 VanDerWaalsContact O-CB 3.26Å; Y106-F110 WeakPolarHBondContact O-CB 3.41Å; Y106-F110 PolarHBondContact O-N 3.18Å
107R85.7Confident78.5Confident128 Ų12896 Ų9648%0.48347%0.474SS..Hα-helixtrans-63.3-41.3177.2-157.9178.198.9176.57.6111.7Y103 Q104 I105 L111Y103-R107 VanDerWaalsContact O-CB 3.31Å; Y103-R107 WeakPolarHBondContact O-CB 3.28Å; Y103-R107 PolarHBondContact O-N 3.46Å; Q104-R107 PolarHBondContact O-N 3.43Å; I105-R107 VanDerWaalsContact C-N 3.3Å; I105-R107 PolarHBondContact O-N 3.42Å; R107-L111 HydrophobicContact CG-CD1 4.26Å; R107-L111 WeakPolarHBondContact O-CB 3.38Å; R107-L111 WeakPolarHBondContact O-CG 3.32Å; R107-L111 PolarHBondContact O-N 3.19Å
108C86.5Confident80.3Confident66 Ų6693.5 Ų93.545%0.44646%0.461SS..Hα-helixtrans-63.2-46.7176-71.90000111.9Q104 I105 Y106 L111 F112Q104-C108 PolarHBondContact O-N 2.95Å; Q104-C108 PolarHBondContact O-SG 2.93Å; I105-C108 WeakPolarHBondContact O-CB 3.33Å; I105-C108 PolarHBondContact O-N 3.49Å; Y106-C108 PolarHBondContact O-N 3.38Å; C108-L111 PolarHBondContact O-N 3.09Å; C108-F112 WeakPolarHBondContact O-CB 3.27Å; C108-F112 PolarHBondContact O-N 3.34Å
109I87.3Confident81.4Confident87 Ų8792.3 Ų92.345%0.44645%0.451SS..Hα-helixtrans-63.3-44.7178.2-65168000110.4I105 Y106 F112 M113I105-I109 HydrophobicContact CG2-CD1 3.81Å; I105-I109 HydrophobicContact CG2-CG1 4.47Å; I105-I109 WeakPolarHBondContact O-CG1 3.41Å; I105-I109 PolarHBondContact O-N 2.86Å; Y106-I109 PolarHBondContact O-N 2.95Å; I109-F112 PolarHBondContact O-N 3.26Å; I109-M113 HydrophobicContact CG2-CG 4.37Å; I109-M113 WeakPolarHBondContact O-CB 3.24Å; I109-M113 WeakPolarHBondContact O-CG 3.39Å; I109-M113 PolarHBondContact O-N 3.39Å
110F88.6Confident82.2Confident141 Ų14192.9 Ų92.962%0.61845%0.452SS*.Hα-helixtrans-61-46.5178.3-177.3-94000111.9Y106 F112 M113 Y114Y106-F110 VanDerWaalsContact O-CB 3.26Å; Y106-F110 WeakPolarHBondContact O-CB 3.41Å; Y106-F110 PolarHBondContact O-N 3.18Å; F110-F112 PolarHBondContact O-N 3.24Å; F110-M113 PolarHBondContact O-N 3.37Å; F110-Y114 WeakPolarHBondContact O-CB 3.42Å; F110-Y114 PolarHBondContact O-N 2.81Å
111L90.2Very high82.3Confident56 Ų5696.6 Ų96.629%0.29346%0.46SS..Hα-helixtrans-63.6-40.7177-72.4169.9000111.9R107 C108 Y114 V115 W138R107-L111 HydrophobicContact CG-CD1 4.26Å; R107-L111 WeakPolarHBondContact O-CB 3.38Å; R107-L111 WeakPolarHBondContact O-CG 3.32Å; R107-L111 PolarHBondContact O-N 3.19Å; C108-L111 PolarHBondContact O-N 3.09Å; L111-Y114 PolarHBondContact O-N 3.5Å; L111-V115 WeakPolarHBondContact O-CB 3.37Å; L111-V115 VanDerWaalsContact O-CG2 3.28Å; L111-V115 WeakPolarHBondContact O-CG2 3.21Å; L111-V115 PolarHBondContact O-N 2.85Å; L111-W138 HydrophobicContact CD1-CH2 4.23Å; L111-W138 HydrophobicContact CD2-CH2 4.42Å
112F87.8Confident81.6Confident119 Ų11995.2 Ų95.252%0.52245%0.453SS..Hα-helixtrans-62.3-48.7176.5178.4-97000111.6C108 I109 F110 Y114 V115 Y116C108-F112 WeakPolarHBondContact O-CB 3.27Å; C108-F112 PolarHBondContact O-N 3.34Å; I109-F112 PolarHBondContact O-N 3.26Å; F110-F112 PolarHBondContact O-N 3.24Å; F112-Y114 PolarHBondContact O-N 3.33Å; F112-V115 PolarHBondContact O-N 3.32Å; F112-Y116 WeakPolarHBondContact O-CB 3.38Å; F112-Y116 PolarHBondContact O-N 2.84Å
113M85.7Confident80.1Confident96 Ų9696.1 Ų96.147%0.47346%0.464SS..Hα-helixtrans-63.4-42177.3-70-61.1-175.400111.7I109 F110 V115 Y116 I117I109-M113 HydrophobicContact CG2-CG 4.37Å; I109-M113 WeakPolarHBondContact O-CB 3.24Å; I109-M113 WeakPolarHBondContact O-CG 3.39Å; I109-M113 PolarHBondContact O-N 3.39Å; F110-M113 PolarHBondContact O-N 3.37Å; M113-V115 PolarHBondContact O-N 3.48Å; M113-Y116 PolarHBondContact O-N 3.41Å; M113-I117 WeakPolarHBondContact O-CB 3.39Å; M113-I117 WeakPolarHBondContact O-CD1 3.33Å; M113-I117 WeakPolarHBondContact O-CG1 3.25Å; M113-I117 PolarHBondContact O-N 3.38Å
114Y85.7Confident79Confident125 Ų12599.7 Ų99.749%0.4948%0.476SS..Hα-helixtrans-60.5-45.8177.1-178-102.5000111.9F110 L111 F112 I117 L118F110-Y114 WeakPolarHBondContact O-CB 3.42Å; F110-Y114 PolarHBondContact O-N 2.81Å; L111-Y114 PolarHBondContact O-N 3.5Å; F112-Y114 PolarHBondContact O-N 3.33Å; Y114-I117 PolarHBondContact O-N 3.27Å; Y114-L118 HydrophobicContact CD1-CD1 3.81Å; Y114-L118 HydrophobicContact CD1-CG 4.44Å; Y114-L118 HydrophobicContact CE1-CD1 3.26Å; Y114-L118 HydrophobicContact CE1-CG 4.1Å; Y114-L118 WeakPolarHBondContact O-CB 3.49Å; Y114-L118 WeakPolarHBondContact O-CG 3.26Å; Y114-L118 PolarHBondContact O-N 2.85Å
115V85Confident77.3Confident17 Ų17102.3 Ų102.310%0.10349%0.488CS..Hα-helixtrans-64.6-41.4175.4169.80000111.4L111 F112 M113 L118 A119 C135L111-V115 WeakPolarHBondContact O-CB 3.37Å; L111-V115 VanDerWaalsContact O-CG2 3.28Å; L111-V115 WeakPolarHBondContact O-CG2 3.21Å; L111-V115 PolarHBondContact O-N 2.85Å; F112-V115 PolarHBondContact O-N 3.32Å; M113-V115 PolarHBondContact O-N 3.48Å; V115-L118 PolarHBondContact O-N 3.46Å; V115-A119 VanDerWaalsContact O-CB 3.31Å; V115-A119 WeakPolarHBondContact O-CB 3.49Å; V115-A119 PolarHBondContact O-N 2.87Å; V115-C135 HydrophobicContact CG1-CB 3.72Å
116Y83.9Confident75.7Confident117 Ų117107 Ų10746%0.45951%0.507SS..Hα-helixtrans-62.1-43.8177.1177-98.7000112.2F112 M113 A119 T120F112-Y116 WeakPolarHBondContact O-CB 3.38Å; F112-Y116 PolarHBondContact O-N 2.84Å; M113-Y116 PolarHBondContact O-N 3.41Å; Y116-A119 PolarHBondContact O-N 2.78Å; Y116-T120 WeakPolarHBondContact O-CB 2.99Å; Y116-T120 PolarHBondContact O-N 2.89Å; Y116-T120 PolarHBondContact O-OG1 3.49Å
117I82.5Confident74.5Confident88 Ų88102 Ų10245%0.45150%0.497SS..Hα-helixtrans-63.2-50.2175.1-68.1165.4000109.5M113 Y114 A119 T120 F121M113-I117 WeakPolarHBondContact O-CB 3.39Å; M113-I117 WeakPolarHBondContact O-CD1 3.33Å; M113-I117 WeakPolarHBondContact O-CG1 3.25Å; M113-I117 PolarHBondContact O-N 3.38Å; Y114-I117 PolarHBondContact O-N 3.27Å; I117-A119 VanDerWaalsContact C-N 3.25Å; I117-A119 PolarHBondContact O-N 2.8Å; I117-T120 PolarHBondContact O-N 3.06Å; I117-T120 VanDerWaalsContact O-N 3.11Å; I117-F121 HydrophobicContact CG2-CD2 3.63Å; I117-F121 HydrophobicContact CG2-CE2 4.06Å; I117-F121 WeakPolarHBondContact O-CB 3.31Å; I117-F121 WeakPolarHBondContact O-CD2 3.44Å; I117-F121 PolarHBondContact O-N 3.15Å
118L80.3Confident73Confident89 Ų8997.9 Ų97.947%0.46649%0.486SS..Hα-helixtrans-57.5-38.9176.5-77.4179.4000112.2Y114 V115 A122Y114-L118 HydrophobicContact CD1-CD1 3.81Å; Y114-L118 HydrophobicContact CD1-CG 4.44Å; Y114-L118 HydrophobicContact CE1-CD1 3.26Å; Y114-L118 HydrophobicContact CE1-CG 4.1Å; Y114-L118 WeakPolarHBondContact O-CB 3.49Å; Y114-L118 WeakPolarHBondContact O-CG 3.26Å; Y114-L118 PolarHBondContact O-N 2.85Å; V115-L118 PolarHBondContact O-N 3.46Å; L118-A122 WeakPolarHBondContact O-CA 3.41Å; L118-A122 WeakPolarHBondContact O-CB 3.1Å; L118-A122 PolarHBondContact O-N 3.34Å
119A73.7Confident71.6Confident37 Ų37100.7 Ų100.731%0.30649%0.494SS..Hα-helixtrans-70.1-35.9177.600000112.7V115 Y116 I117 W132V115-A119 VanDerWaalsContact O-CB 3.31Å; V115-A119 WeakPolarHBondContact O-CB 3.49Å; V115-A119 PolarHBondContact O-N 2.87Å; Y116-A119 PolarHBondContact O-N 2.78Å; I117-A119 VanDerWaalsContact C-N 3.25Å; I117-A119 PolarHBondContact O-N 2.8Å; A119-W132 HydrophobicContact CB-CE3 3.54Å; A119-W132 HydrophobicContact CB-CZ3 3.63Å
120T75.1Confident70.6Confident82 Ų8299.9 Ų99.950%0.50350%0.496SS..Hα-helixtrans-75.1-38.8-179.9-54.40000111.5Y116 I117Y116-T120 WeakPolarHBondContact O-CB 2.99Å; Y116-T120 PolarHBondContact O-N 2.89Å; Y116-T120 PolarHBondContact O-OG1 3.49Å; I117-T120 PolarHBondContact O-N 3.06Å; I117-T120 VanDerWaalsContact O-N 3.11Å
121F68.9Low69.4Low140 Ų14096.7 Ų96.761%0.61449%0.488SS*.Hα-helixtrans-97.4-11.4-176.9-74.4-81.4000114.2I117 P123I117-F121 HydrophobicContact CG2-CD2 3.63Å; I117-F121 HydrophobicContact CG2-CE2 4.06Å; I117-F121 WeakPolarHBondContact O-CB 3.31Å; I117-F121 WeakPolarHBondContact O-CD2 3.44Å; I117-F121 PolarHBondContact O-N 3.15Å; F121-P123 WeakPolarHBondContact O-CD 3.28Å
122A56.6Low68.2Low34 Ų3499.2 Ų99.228%0.28149%0.494SS..SBendtrans-59.2107.6164.300000105.7L118 T128L118-A122 WeakPolarHBondContact O-CA 3.41Å; L118-A122 WeakPolarHBondContact O-CB 3.1Å; L118-A122 PolarHBondContact O-N 3.34Å; A122-T128 HydrophobicContact CB-CG2 3.61Å
123P50Low67.5Low101 Ų10199.2 Ų99.266%0.65650%0.495SS*.  trans-58.6155-175.513.9-12.2000107.5F121 H125 T128F121-P123 WeakPolarHBondContact O-CD 3.28Å; P123-H125 PolarHBondContact O-N 2.9Å; P123-T128 VanDerWaalsContact O-CG2 3.25Å; P123-T128 WeakPolarHBondContact O-CG2 3.2Å
124R54.8Low66.8Low226 Ų22697.2 Ų97.285%0.85349%0.494SS*.SBendtrans-51.237.7177.8-69.1174.1168.1173.5-0.3115.8H126R124-H126 PolarHBondContact O-N 3.34Å
125H47.6Very low66.1Low137 Ų13792.6 Ų92.663%0.63448%0.48SS*.  trans-61.8122.9159.9-130.6-91.9000105.9P123 S127 T128P123-H125 PolarHBondContact O-N 2.9Å; H125-S127 PolarHBondContact O-N 3.2Å; H125-T128 WeakPolarHBondContact O-CG2 3.45Å; H125-T128 PolarHBondContact O-N 3.02Å; H125-T128 PolarHBondContact O-OG1 2.78Å
126H52.1Low65.7Low195 Ų19595.4 Ų95.490%0.90349%0.494SS*.THydrogen-bonded Turntrans-52.5-4.1176.8-84.2-98.3000114.7R124R124-H126 PolarHBondContact O-N 3.34Å
127S56.5Low65.5Low61 Ų6197 Ų9743%0.42751%0.506SS..THydrogen-bonded Turntrans-84.5-10.9169.664.10000115.2H125 M129 S130 T131H125-S127 PolarHBondContact O-N 3.2Å; S127-M129 PolarHBondContact O-N 2.78Å; S127-S130 PolarHBondContact O-N 3.36Å; S127-S130 VanDerWaalsContact O-N 3.14Å; S127-S130 PolarHBondContact O-OG 3.23Å; S127-T131 PolarHBondContact O-N 3.39Å
128T53.6Low65.3Low42 Ų4298.6 Ų98.626%0.25851%0.506SS..Hα-helixtrans-67.1-23.9-178.154.40000113.4A122 P123 H125 S130 T131 W132A122-T128 HydrophobicContact CB-CG2 3.61Å; P123-T128 VanDerWaalsContact O-CG2 3.25Å; P123-T128 WeakPolarHBondContact O-CG2 3.2Å; H125-T128 WeakPolarHBondContact O-CG2 3.45Å; H125-T128 PolarHBondContact O-N 3.02Å; H125-T128 PolarHBondContact O-OG1 2.78Å; T128-S130 VanDerWaalsContact C-N 3.26Å; T128-S130 PolarHBondContact O-N 2.75Å; T128-T131 PolarHBondContact O-N 2.79Å; T128-W132 WeakPolarHBondContact O-CB 3.4Å; T128-W132 PolarHBondContact O-N 3.32Å
129M57.2Low65.1Low125 Ų12597.4 Ų97.462%0.61650%0.499SS*.Hα-helixtrans-58.7-39.3172.3-112.7-71.1161.200111.8S127 Q133S127-M129 PolarHBondContact O-N 2.78Å; M129-Q133 WeakPolarHBondContact O-CB 3.4Å; M129-Q133 WeakPolarHBondContact O-CG 3.38Å; M129-Q133 PolarHBondContact O-N 3.44Å
130S66.6Low65.2Low70 Ų70102 Ų10249%0.4951%0.514SS..Hα-helixtrans-72.6-35.5177.670.50000111.7S127 T128 A134S127-S130 PolarHBondContact O-N 3.36Å; S127-S130 VanDerWaalsContact O-N 3.14Å; S127-S130 PolarHBondContact O-OG 3.23Å; T128-S130 VanDerWaalsContact C-N 3.26Å; T128-S130 PolarHBondContact O-N 2.75Å; S130-A134 VanDerWaalsContact O-CB 3.25Å; S130-A134 WeakPolarHBondContact O-CB 3.32Å; S130-A134 PolarHBondContact O-N 3.37Å
131T63.6Low65.4Low74 Ų74100.9 Ų100.945%0.45451%0.51SS..Hα-helixtrans-65-45.1173.9-46.30000111.3S127 T128 A134 C135S127-T131 PolarHBondContact O-N 3.39Å; T128-T131 PolarHBondContact O-N 2.79Å; T131-A134 PolarHBondContact O-N 3.18Å; T131-C135 WeakPolarHBondContact O-CB 3.39Å; T131-C135 PolarHBondContact O-N 3.38Å; T131-C135 PolarHBondContact O-SG 3.3Å
132W65.1Low65.6Low108 Ų10896.9 Ų96.941%0.40949%0.494SS..Hα-helixtrans-61.6-45.5176.9-177.7-110.4000112A119 T128 A134 C135 L136A119-W132 HydrophobicContact CB-CE3 3.54Å; A119-W132 HydrophobicContact CB-CZ3 3.63Å; T128-W132 WeakPolarHBondContact O-CB 3.4Å; T128-W132 PolarHBondContact O-N 3.32Å; W132-A134 PolarHBondContact O-N 3.22Å; W132-C135 PolarHBondContact O-N 3.42Å; W132-L136 HydrophobicContact CZ2-CD2 4.28Å; W132-L136 WeakPolarHBondContact O-CG 3.1Å; W132-L136 PolarHBondContact O-N 3.43Å
133Q73.1Confident66.5Low119 Ų11997.3 Ų97.356%0.55650%0.502SS*.Hα-helixtrans-61.7-42.7174.2-78.1180-2900112.1M129 C135 L136 Q137M129-Q133 WeakPolarHBondContact O-CB 3.4Å; M129-Q133 WeakPolarHBondContact O-CG 3.38Å; M129-Q133 PolarHBondContact O-N 3.44Å; Q133-C135 VanDerWaalsContact C-N 3.34Å; Q133-C135 PolarHBondContact O-N 3.18Å; Q133-L136 PolarHBondContact O-N 3.44Å; Q133-Q137 WeakPolarHBondContact O-CG 3.22Å; Q133-Q137 PolarHBondContact O-N 3.31Å
134A71.6Confident67.7Low55 Ų5598.7 Ų98.746%0.45550%0.504SS..Hα-helixtrans-62.9-40.2175.700000111.9S130 T131 W132 Q137 W138S130-A134 VanDerWaalsContact O-CB 3.25Å; S130-A134 WeakPolarHBondContact O-CB 3.32Å; S130-A134 PolarHBondContact O-N 3.37Å; T131-A134 PolarHBondContact O-N 3.18Å; W132-A134 PolarHBondContact O-N 3.22Å; A134-Q137 PolarHBondContact O-N 3.42Å; A134-W138 WeakPolarHBondContact O-CB 3.41Å; A134-W138 PolarHBondContact O-N 3.17Å
135C69.8Low68.4Low27 Ų2795.7 Ų95.718%0.18250%0.499CS..Hα-helixtrans-64-45.5175.2-72.70000111.8V115 T131 W132 Q133 Q137 W138 I139V115-C135 HydrophobicContact CG1-CB 3.72Å; T131-C135 WeakPolarHBondContact O-CB 3.39Å; T131-C135 PolarHBondContact O-N 3.38Å; T131-C135 PolarHBondContact O-SG 3.3Å; W132-C135 PolarHBondContact O-N 3.42Å; Q133-C135 VanDerWaalsContact C-N 3.34Å; Q133-C135 PolarHBondContact O-N 3.18Å; C135-Q137 VanDerWaalsContact C-N 3.34Å; C135-Q137 PolarHBondContact O-N 2.86Å; C135-W138 PolarHBondContact O-N 3.15Å; C135-I139 VanDerWaalsContact O-CG1 3.27Å; C135-I139 WeakPolarHBondContact O-CG1 3.26Å; C135-I139 PolarHBondContact O-N 2.84Å
136L77.6Confident69Low76 Ų7695.2 Ų95.240%0.39850%0.501SS..Hα-helixtrans-61.8-41.9175.6-72.5177.4000111.9W132 Q133 I139 H140W132-L136 HydrophobicContact CZ2-CD2 4.28Å; W132-L136 WeakPolarHBondContact O-CG 3.1Å; W132-L136 PolarHBondContact O-N 3.43Å; Q133-L136 PolarHBondContact O-N 3.44Å; L136-I139 PolarHBondContact O-N 2.75Å; L136-H140 WeakPolarHBondContact O-CB 3.43Å; L136-H140 PolarHBondContact O-N 3.15Å
137Q79.1Confident69Low151 Ų15191.7 Ų91.771%0.70652%0.517SS*.Hα-helixtrans-64.3-39.6174.9-75.7-163.1-20.800112.5Q133 A134 C135 H140 S141Q133-Q137 WeakPolarHBondContact O-CG 3.22Å; Q133-Q137 PolarHBondContact O-N 3.31Å; A134-Q137 PolarHBondContact O-N 3.42Å; C135-Q137 VanDerWaalsContact C-N 3.34Å; C135-Q137 PolarHBondContact O-N 2.86Å; Q137-H140 PolarHBondContact O-N 3.23Å; Q137-S141 WeakPolarHBondContact O-CB 3.1Å; Q137-S141 PolarHBondContact O-N 2.79Å
138W78.3Confident69.6Low122 Ų12293.2 Ų93.246%0.46252%0.522SS..Hα-helixtrans-66.3-42.9177.1-175.274.4000112L111 A134 C135 S141 I142L111-W138 HydrophobicContact CD1-CH2 4.23Å; L111-W138 HydrophobicContact CD2-CH2 4.42Å; A134-W138 WeakPolarHBondContact O-CB 3.41Å; A134-W138 PolarHBondContact O-N 3.17Å; C135-W138 PolarHBondContact O-N 3.15Å; W138-S141 WeakPolarHBondContact O-CB 3.14Å; W138-S141 PolarHBondContact O-N 2.71Å; W138-I142 HydrophobicContact CD2-CD1 3.6Å; W138-I142 HydrophobicContact CD2-CG1 4.48Å; W138-I142 HydrophobicContact CE3-CD1 3.72Å; W138-I142 HydrophobicContact CG-CD1 4.43Å; W138-I142 HydrophobicContact CH2-CD1 3.44Å; W138-I142 VanDerWaalsContact CH2-CD1 3.44Å; W138-I142 HydrophobicContact CZ2-CD1 3.31Å; W138-I142 HydrophobicContact CZ3-CD1 3.63Å; W138-I142 WeakPolarHBondContact O-CG1 3.37Å; W138-I142 PolarHBondContact O-N 2.81Å
139I76.8Confident70.4Confident64 Ų6495.9 Ų95.933%0.32854%0.536SS..Hα-helixtrans-61.4-45.8174.6-68.6166.1000110.6C135 L136 S141 I142 G143C135-I139 VanDerWaalsContact O-CG1 3.27Å; C135-I139 WeakPolarHBondContact O-CG1 3.26Å; C135-I139 PolarHBondContact O-N 2.84Å; L136-I139 PolarHBondContact O-N 2.75Å; I139-S141 VanDerWaalsContact C-N 3.31Å; I139-S141 PolarHBondContact O-N 2.83Å; I139-I142 PolarHBondContact O-N 3Å; I139-G143 PolarHBondContact O-N 2.93Å
140H75.7Confident71.2Confident134 Ų13494.3 Ų94.362%0.6253%0.531SS*.Hα-helixtrans-59.9-40.9174-93.9-124.2000112.2L136 Q137 G143 N144L136-H140 WeakPolarHBondContact O-CB 3.43Å; L136-H140 PolarHBondContact O-N 3.15Å; Q137-H140 PolarHBondContact O-N 3.23Å; H140-G143 PolarHBondContact O-N 3.27Å; H140-N144 PolarHBondContact O-N 3.45Å
141S79.8Confident71.4Confident58 Ų5895.7 Ų95.741%0.40653%0.534SS..Hα-helixtrans-64.6-39.9177.8-1780000112.3Q137 W138 I139 Q145Q137-S141 WeakPolarHBondContact O-CB 3.1Å; Q137-S141 PolarHBondContact O-N 2.79Å; W138-S141 WeakPolarHBondContact O-CB 3.14Å; W138-S141 PolarHBondContact O-N 2.71Å; I139-S141 VanDerWaalsContact C-N 3.31Å; I139-S141 PolarHBondContact O-N 2.83Å; S141-Q145 PolarHBondContact O-N 3.11Å
142I73.4Confident71.9Confident56 Ų5697.1 Ų97.129%0.28754%0.539SS..Hα-helixtrans-67.7-43.8174.9-71.3173.4000111W138 I139 N144 Q145 L146W138-I142 HydrophobicContact CD2-CD1 3.6Å; W138-I142 HydrophobicContact CD2-CG1 4.48Å; W138-I142 HydrophobicContact CE3-CD1 3.72Å; W138-I142 HydrophobicContact CG-CD1 4.43Å; W138-I142 HydrophobicContact CH2-CD1 3.44Å; W138-I142 VanDerWaalsContact CH2-CD1 3.44Å; W138-I142 HydrophobicContact CZ2-CD1 3.31Å; W138-I142 HydrophobicContact CZ3-CD1 3.63Å; W138-I142 WeakPolarHBondContact O-CG1 3.37Å; W138-I142 PolarHBondContact O-N 2.81Å; I139-I142 PolarHBondContact O-N 3Å; I142-N144 VanDerWaalsContact C-N 3.27Å; I142-N144 PolarHBondContact O-N 3.2Å; I142-Q145 PolarHBondContact O-N 2.76Å; I142-Q145 VanDerWaalsContact O-N 3.09Å; I142-L146 HydrophobicContact CG2-CD1 3.7Å; I142-L146 PolarHBondContact O-N 3.29Å
143G74.1Confident72.4Confident43 Ų4396.3 Ų96.344%0.44355%0.547SS..Hα-helixtrans-56.7-41.3176.700000112.3I139 H140 Q145 L146 G147I139-G143 PolarHBondContact O-N 2.93Å; H140-G143 PolarHBondContact O-N 3.27Å; G143-Q145 PolarHBondContact O-N 2.91Å; G143-L146 PolarHBondContact O-N 3.4Å; G143-G147 PolarHBondContact O-N 3.21Å
144N74.9Confident72.3Confident130 Ų13094.7 Ų94.770%0.69555%0.547SS*.Hα-helixtrans-73.9-18.8177.4-72.9-7.3000114.7H140 I142H140-N144 PolarHBondContact O-N 3.45Å; I142-N144 VanDerWaalsContact C-N 3.27Å; I142-N144 PolarHBondContact O-N 3.2Å
145Q70.3Confident72.4Confident162 Ų16297.8 Ų97.876%0.75755%0.554SS**Hα-helixtrans-86.7-18.8173.7-76.1-167.734.100112.9S141 I142 G143S141-Q145 PolarHBondContact O-N 3.11Å; I142-Q145 PolarHBondContact O-N 2.76Å; I142-Q145 VanDerWaalsContact O-N 3.09Å; G143-Q145 PolarHBondContact O-N 2.91Å
146L59.2Low72.6Confident127 Ų127103.7 Ų103.767%0.66559%0.585SS**Hα-helixtrans-93.8-16.6-179.4-75165.6000113.5I142 G143I142-L146 HydrophobicContact CG2-CD1 3.7Å; I142-L146 PolarHBondContact O-N 3.29Å; G143-L146 PolarHBondContact O-N 3.4Å
147G52.3Low72.2Confident121 Ų121106.2 Ų106.2100%1.24760%0.602SS**  trans-97.60171.600000111.8G143G143-G147 PolarHBondContact O-N 3.21Å

Retrieved 147 of 147 residues in 146.6 ms (Link to these results)