A0A087XN46_POEFO Loading...

DNA replication complex GINS protein PSF1

Required for correct functioning of the GINS complex, a complex that plays an essential role in the initiation of DNA replication, and progression of DNA replication forks. GINS complex is a core component of CDC45-MCM-GINS (CMG) helicase, the molecular machine that unwinds template DNA during replication, and around which the replisome is built. Required for correct functioning of the GINS complex, a complex that plays an essential role in the initiation of DNA replication, and progression of DNA replication forks. GINS complex seems to bind preferentially to single-stranded DNA.

AlphaFold DB , UniProt , Accession A0A087XN46, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 196 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
1M73.3Confident93.6Very high201 Ų20169.6 Ų69.699%0.9932%0.32SS*.  0150.20-166.3-179.4-86.700107E4M1-E4 HydrophobicContact CB-CG 4.15Å; M1-E4 WeakPolarHBondContact O-CG 3.24Å
2F90.7Very high93.5Very high89 Ų8968 Ų6839%0.3931%0.313SS..THydrogen-bonded Turntrans-65.6155.9178.6-64.8-57000111.5E4 E35 L39 L64 C68F2-E4 PolarHBondContact O-N 3.33Å; F2-E35 WeakPolarHBondContact CA-OE1 3.41Å; F2-L39 HydrophobicContact CD1-CD1 4.26Å; F2-L39 HydrophobicContact CD1-CD2 3.98Å; F2-L39 HydrophobicContact CE1-CD2 3.54Å; F2-L39 HydrophobicContact CE1-CG 4.47Å; F2-L39 HydrophobicContact CZ-CD2 3.93Å; F2-L64 HydrophobicContact CE2-CD2 4.4Å; F2-C68 HydrophobicContact CB-CB 4.14Å; F2-C68 VanDerWaalsContact CB-SG 3.56Å; F2-C68 VanDerWaalsContact CD2-SG 3.56Å; F2-C68 HydrophobicContact CG-CB 4.41Å
3C95.8Very high93.4Very high7 Ų763.4 Ų63.45%0.04729%0.292CS..THydrogen-bonded Turntrans67.39.1172.7-480000116.4K5 A6 I7 E35 C68 R71 N72C3-K5 PolarHBondContact O-N 3.1Å; C3-A6 PolarHBondContact O-N 3.4Å; C3-I7 WeakPolarHBondContact O-CG1 3.41Å; C3-I7 PolarHBondContact O-N 3.01Å; C3-I7 VanDerWaalsContact O-N 3.09Å; C3-E35 PolarHBondContact N-OE1 3.37Å; C3-C68 PolarHBondContact SG-O 2.93Å; C3-R71 HydrophobicContact CB-CG 4.14Å; C3-N72 VanDerWaalsContact CA-OD1 3.26Å; C3-N72 WeakPolarHBondContact CA-OD1 3.41Å; C3-N72 WeakPolarHBondContact CB-OD1 3.47Å; C3-N72 PolarHBondContact SG-OD1 3.3Å
4E96.6Very high93.2Very high70 Ų7070.7 Ų70.733%0.32733%0.326SS..Hα-helixtrans-61.2-43.6-179.5-70.4-68.8173.800111.8M1 F2 A6 I7 E8M1-E4 HydrophobicContact CB-CG 4.15Å; M1-E4 WeakPolarHBondContact O-CG 3.24Å; F2-E4 PolarHBondContact O-N 3.33Å; E4-A6 VanDerWaalsContact C-N 3.31Å; E4-A6 PolarHBondContact O-N 3.03Å; E4-I7 PolarHBondContact O-N 3.13Å; E4-I7 VanDerWaalsContact O-N 3.12Å; E4-E8 WeakPolarHBondContact O-CG 3.45Å; E4-E8 PolarHBondContact O-N 3.31Å
5K95.9Very high93.1Very high75 Ų7579.5 Ų79.533%0.32636%0.356SS..Hα-helixtrans-63.2-37.3177.6-64.9-53.8-175.6-178.70112.9C3 I7 E8 L9 Q31 V32C3-K5 PolarHBondContact O-N 3.1Å; K5-I7 VanDerWaalsContact C-N 3.31Å; K5-I7 PolarHBondContact O-N 3.38Å; K5-E8 WeakPolarHBondContact CD-OE2 3.23Å; K5-E8 IonicContact NZ-OE1 3.41Å; K5-E8 IonicContact NZ-OE2 3.17Å; K5-E8 PolarHBondContact NZ-OE2 2.95Å; K5-E8 PolarHBondContact O-N 3.33Å; K5-L9 PolarHBondContact O-N 2.83Å; K5-Q31 HydrophobicContact CG-CB 4.34Å; K5-V32 HydrophobicContact CB-CG2 3.66Å
6A96.8Very high92.8Very high0 Ų076.7 Ų76.70%035%0.346CS..Hα-helixtrans-68.1-33.4176.300000111.8C3 E4 V32 N72 C75C3-A6 PolarHBondContact O-N 3.4Å; E4-A6 VanDerWaalsContact C-N 3.31Å; E4-A6 PolarHBondContact O-N 3.03Å; A6-V32 HydrophobicContact CB-CG1 4.05Å; A6-V32 HydrophobicContact CB-CG2 3.94Å; A6-N72 VanDerWaalsContact CB-OD1 3.28Å; A6-N72 WeakPolarHBondContact CB-OD1 3.47Å; A6-C75 HydrophobicContact CB-CB 3.68Å
7I96.4Very high91.9Very high43 Ų4376.1 Ų76.122%0.22135%0.353CS..Hα-helixtrans-73-36.9175.3-66.3166.8000111.2C3 E4 K5 L9 I10 R11C3-I7 WeakPolarHBondContact O-CG1 3.41Å; C3-I7 PolarHBondContact O-N 3.01Å; C3-I7 VanDerWaalsContact O-N 3.09Å; E4-I7 PolarHBondContact O-N 3.13Å; E4-I7 VanDerWaalsContact O-N 3.12Å; K5-I7 VanDerWaalsContact C-N 3.31Å; K5-I7 PolarHBondContact O-N 3.38Å; I7-L9 VanDerWaalsContact C-N 3.31Å; I7-L9 PolarHBondContact O-N 2.89Å; I7-I10 PolarHBondContact O-N 2.94Å; I7-I10 VanDerWaalsContact O-N 3.16Å; I7-R11 HydrophobicContact CG2-CG 4.17Å; I7-R11 WeakPolarHBondContact O-CG 3.43Å; I7-R11 PolarHBondContact O-N 3.09Å
8E96.2Very high90.6Very high91 Ų9180.6 Ų80.643%0.42538%0.38SS..Hα-helixtrans-55.8-44.7174.6-74.7173.9-176.600111.6E4 K5 I10 R11 E12E4-E8 WeakPolarHBondContact O-CG 3.45Å; E4-E8 PolarHBondContact O-N 3.31Å; K5-E8 WeakPolarHBondContact CD-OE2 3.23Å; K5-E8 IonicContact NZ-OE1 3.41Å; K5-E8 IonicContact NZ-OE2 3.17Å; K5-E8 PolarHBondContact NZ-OE2 2.95Å; K5-E8 PolarHBondContact O-N 3.33Å; E8-I10 VanDerWaalsContact C-N 3.32Å; E8-I10 PolarHBondContact O-N 2.88Å; E8-R11 PolarHBondContact O-N 3.02Å; E8-E12 WeakPolarHBondContact O-CB 3.29Å; E8-E12 PolarHBondContact O-N 3.22Å
9L96.6Very high89.4Confident1 Ų178 Ų781%0.00538%0.377CS..Hα-helixtrans-56.9-42.2175.3-67.9176.2000112.8K5 I7 L13 N25 V32 Y79K5-L9 PolarHBondContact O-N 2.83Å; I7-L9 VanDerWaalsContact C-N 3.31Å; I7-L9 PolarHBondContact O-N 2.89Å; L9-L13 PolarHBondContact O-N 3.35Å; L9-N25 HydrophobicContact CD2-CB 3.9Å; L9-V32 HydrophobicContact CD1-CG2 4.15Å; L9-Y79 HydrophobicContact CB-CD2 3.86Å; L9-Y79 HydrophobicContact CB-CE2 4.45Å; L9-Y79 HydrophobicContact CB-CG 4.19Å; L9-Y79 HydrophobicContact CD2-CD2 4.34Å; L9-Y79 HydrophobicContact CD2-CE2 4.17Å
10I96.3Very high89.2Confident59 Ų5980.2 Ų80.230%0.30339%0.387SS..Hα-helixtrans-70.9-41.9179.2-60.4-58000111.2I7 E8 E12 L13 H14 C75 A78I7-I10 PolarHBondContact O-N 2.94Å; I7-I10 VanDerWaalsContact O-N 3.16Å; E8-I10 VanDerWaalsContact C-N 3.32Å; E8-I10 PolarHBondContact O-N 2.88Å; I10-E12 VanDerWaalsContact C-N 3.27Å; I10-E12 PolarHBondContact O-N 2.93Å; I10-L13 PolarHBondContact O-N 3.24Å; I10-H14 WeakPolarHBondContact O-CB 3.42Å; I10-H14 PolarHBondContact O-N 3.44Å; I10-C75 WeakPolarHBondContact CD1-O 3.48Å; I10-C75 HydrophobicContact CG1-CB 4.19Å; I10-A78 HydrophobicContact CD1-CB 4.02Å
11R94.9Very high89.3Confident130 Ų13077 Ų7749%0.49137%0.372SS..Hα-helixtrans-63.7-36.1177.7-73.7176.6177.5153.51.3111.5I7 E8 H14 R15I7-R11 HydrophobicContact CG2-CG 4.17Å; I7-R11 WeakPolarHBondContact O-CG 3.43Å; I7-R11 PolarHBondContact O-N 3.09Å; E8-R11 PolarHBondContact O-N 3.02Å; R11-H14 PolarHBondContact O-N 3.23Å; R11-R15 VanDerWaalsContact O-CG 3.27Å; R11-R15 WeakPolarHBondContact O-CG 3.28Å; R11-R15 PolarHBondContact O-N 3.11Å
12E92.5Very high90.3Very high50 Ų5068.3 Ų68.323%0.23433%0.331CS..Hα-helixtrans-58.1-53.7173.9-173-170.4155.300110.8E8 I10 H14 R15 N25E8-E12 WeakPolarHBondContact O-CB 3.29Å; E8-E12 PolarHBondContact O-N 3.22Å; I10-E12 VanDerWaalsContact C-N 3.27Å; I10-E12 PolarHBondContact O-N 2.93Å; E12-H14 VanDerWaalsContact C-N 3.3Å; E12-H14 PolarHBondContact O-N 3.3Å; E12-R15 PolarHBondContact O-N 3.36Å; E12-N25 PolarHBondContact OE2-ND2 2.92Å
13L91.8Very high90.5Very high8 Ų866.5 Ų66.54%0.04233%0.332CS..Hα-helixtrans-61.2-38.1178.5-70.1177.8000113.1L9 I10 R15 V16 P22 Y79 D82 R83 R86L9-L13 PolarHBondContact O-N 3.35Å; I10-L13 PolarHBondContact O-N 3.24Å; L13-R15 VanDerWaalsContact C-N 3.28Å; L13-R15 PolarHBondContact O-N 3.17Å; L13-V16 PolarHBondContact O-N 3.1Å; L13-P22 HydrophobicContact CD2-CG 3.79Å; L13-Y79 HydrophobicContact CD1-CD2 3.35Å; L13-Y79 HydrophobicContact CD1-CE2 4.06Å; L13-Y79 HydrophobicContact CD1-CG 4.01Å; L13-Y79 HydrophobicContact CD2-CD2 4.25Å; L13-Y79 HydrophobicContact CD2-CE2 4.11Å; L13-Y79 HydrophobicContact CG-CD2 3.67Å; L13-Y79 HydrophobicContact CG-CE2 3.96Å; L13-D82 HydrophobicContact CD1-CB 3.96Å; L13-R83 HydrophobicContact CD2-CG 3.94Å; L13-R86 PolarHBondContact O-NH2 3.33Å
14H91.4Very high90.6Very high166 Ų16668.3 Ų68.377%0.76934%0.339SS*.Hα-helixtrans-66.6-28.3180-174.464.6000113.3I10 R11 E12 V16I10-H14 WeakPolarHBondContact O-CB 3.42Å; I10-H14 PolarHBondContact O-N 3.44Å; R11-H14 PolarHBondContact O-N 3.23Å; E12-H14 VanDerWaalsContact C-N 3.3Å; E12-H14 PolarHBondContact O-N 3.3Å; H14-V16 VanDerWaalsContact C-N 3.32Å
15R91.1Very high90.6Very high203 Ų20367.2 Ų67.277%0.76634%0.336SS*.Hα-helixtrans-75.8-22178.5-72.7166.9-177.4171.51113R11 E12 L13R11-R15 VanDerWaalsContact O-CG 3.27Å; R11-R15 WeakPolarHBondContact O-CG 3.28Å; R11-R15 PolarHBondContact O-N 3.11Å; E12-R15 PolarHBondContact O-N 3.36Å; L13-R15 VanDerWaalsContact C-N 3.28Å; L13-R15 PolarHBondContact O-N 3.17Å
16V87.9Confident90.6Very high34 Ų3469.1 Ų69.121%0.20635%0.346CS..SBendtrans-85.6127.6-176.3-1800000109.1L13 H14 Q20 P22L13-V16 PolarHBondContact O-N 3.1Å; H14-V16 VanDerWaalsContact C-N 3.32Å; V16-Q20 HydrophobicContact CG1-CB 3.66Å; V16-P22 HydrophobicContact CG2-CB 4.04Å; V16-P22 HydrophobicContact CG2-CG 4.15Å
17S77.9Confident90.6Very high66 Ų6673.6 Ų73.646%0.46237%0.37SS..PPolyproline II helixtrans-55.2150.8177.656.90000111.9G19 Q20 R86S17-G19 PolarHBondContact O-N 3.08Å; S17-Q20 PolarHBondContact O-N 2.63Å; S17-R86 PolarHBondContact O-NH1 2.98Å
18D68.4Low90.7Very high157 Ų15772 Ų7284%0.8436%0.364SS*.THydrogen-bonded Turntrans-52.3138.6176.3-72.3-23.1000111.8Q20D18-Q20 VanDerWaalsContact C-N 3.32Å; D18-Q20 PolarHBondContact O-N 2.8Å
19G67.6Low90.7Very high32 Ų3269 Ų6933%0.3335%0.35SS..THydrogen-bonded Turntrans85.1-14.9178.400000115.8S17S17-G19 PolarHBondContact O-N 3.08Å
20Q85.4Confident90.8Very high121 Ų12174 Ų7457%0.56537%0.369SS*.  trans-88.6136.1174.8-68.3-170-7.400112V16 S17 D18 P22 R86V16-Q20 HydrophobicContact CG1-CB 3.66Å; S17-Q20 PolarHBondContact O-N 2.63Å; D18-Q20 VanDerWaalsContact C-N 3.32Å; D18-Q20 PolarHBondContact O-N 2.8Å; Q20-P22 WeakPolarHBondContact O-CD 3.46Å; Q20-R86 WeakPolarHBondContact O-CD 3.44Å; Q20-R86 PolarHBondContact O-NH1 2.93Å
21L92.1Very high90.9Very high15 Ų1575.1 Ų75.18%0.07937%0.373CS..  trans-97.8109.7175.1-17568.2000109.8R83 R86 I87 L90 V102 H105 M106L21-R83 HydrophobicContact CD1-CB 4.45Å; L21-R86 HydrophobicContact CD1-CB 4.23Å; L21-I87 HydrophobicContact CD1-CD1 4.35Å; L21-I87 HydrophobicContact CD1-CG1 3.94Å; L21-I87 HydrophobicContact CD2-CD1 4.37Å; L21-I87 HydrophobicContact CD2-CG1 3.77Å; L21-L90 HydrophobicContact CB-CD1 4.27Å; L21-L90 HydrophobicContact CD2-CD1 4.16Å; L21-V102 HydrophobicContact CD2-CG1 4.36Å; L21-H105 PolarHBondContact O-ND1 3.38Å; L21-M106 HydrophobicContact CD2-CG 3.56Å; L21-M106 HydrophobicContact CD2-SD 4.48Å
22P93.6Very high91.1Very high18 Ų1869 Ų6912%0.11735%0.35CS..PPolyproline II helixtrans-69.5164.9173.826.8-29.8000111.4L13 V16 Q20 R83L13-P22 HydrophobicContact CD2-CG 3.79Å; V16-P22 HydrophobicContact CG2-CB 4.04Å; V16-P22 HydrophobicContact CG2-CG 4.15Å; Q20-P22 WeakPolarHBondContact O-CD 3.46Å; P22-R83 PolarHBondContact O-NH1 3.13Å; P22-R83 PolarHBondContact O-NH2 2.87Å
23A95.2Very high91.3Very high51 Ų5170.9 Ų70.942%0.42136%0.361SS..PPolyproline II helixtrans-56.7145.6171.800000111.2N25 R83A23-N25 PolarHBondContact O-N 3.05Å; A23-R83 PolarHBondContact O-NH1 2.93Å
24F97.1Very high91.7Very high45 Ų4575.9 Ų75.920%0.19738%0.384CS..PPolyproline II helixtrans-70.5117.4176.6-172.2-91.8000110.4E26 L29 Y79 L80 H105F24-E26 HydrophobicContact CD1-CB 4.03Å; F24-E26 HydrophobicContact CE1-CB 4.12Å; F24-E26 HydrophobicContact CE1-CG 4.34Å; F24-E26 PolarHBondContact O-N 2.88Å; F24-L29 HydrophobicContact CE1-CD2 4.42Å; F24-L29 HydrophobicContact CZ-CD2 4Å; F24-Y79 HydrophobicContact CE2-CE1 4.29Å; F24-L80 HydrophobicContact CE2-CD2 3.91Å; F24-L80 HydrophobicContact CZ-CD2 4.17Å; F24-H105 PolarHBondContact N-O 3.37Å; F24-H105 VanDerWaalsContact N-O 3.09Å
25N96.8Very high92Very high47 Ų4770 Ų7025%0.25136%0.357SS..  trans-82.476.9179.8-165.8-16.4000112.2L9 E12 A23 G28 L29 Y79L9-N25 HydrophobicContact CD2-CB 3.9Å; E12-N25 PolarHBondContact OE2-ND2 2.92Å; A23-N25 PolarHBondContact O-N 3.05Å; N25-G28 WeakPolarHBondContact OD1-CA 3.06Å; N25-G28 PolarHBondContact OD1-N 2.75Å; N25-L29 PolarHBondContact O-N 2.78Å; N25-Y79 PolarHBondContact N-OH 2.97Å
26E96.9Very high92.3Very high115 Ų11562.2 Ų62.254%0.53733%0.33SS..Hα-helixtrans-65.2-40.6-180-162.6-173.4149.700112.2F24 L29 R30F24-E26 HydrophobicContact CD1-CB 4.03Å; F24-E26 HydrophobicContact CE1-CB 4.12Å; F24-E26 HydrophobicContact CE1-CG 4.34Å; F24-E26 PolarHBondContact O-N 2.88Å; E26-L29 PolarHBondContact O-N 3.41Å; E26-R30 WeakPolarHBondContact O-CB 3.08Å; E26-R30 PolarHBondContact O-N 3.39Å; E26-R30 IonicContact OE1-CZ 3.71Å; E26-R30 IonicContact OE1-NH2 2.76Å; E26-R30 PolarHBondContact OE1-NH2 3.18Å
27D97.3Very high92.8Very high94 Ų9466.4 Ų66.450%0.50335%0.347SS..Hα-helixtrans-66.4-42.9-178.8-68.6-33000112R30 Q31D27-R30 PolarHBondContact O-N 2.88Å; D27-R30 IonicContact OD1-CZ 2.92Å; D27-R30 IonicContact OD1-NH1 3.88Å; D27-R30 PolarHBondContact OD1-NH1 3.23Å; D27-R30 IonicContact OD1-NH2 3.13Å; D27-Q31 VanDerWaalsContact O-CG 3.3Å; D27-Q31 WeakPolarHBondContact O-CG 3.49Å; D27-Q31 PolarHBondContact O-N 3.03Å
28G97.1Very high93.8Very high9 Ų965.2 Ų65.29%0.09334%0.341CS..Hα-helixtrans-63.2-42.5175.900000111.9N25 Q31 V32N25-G28 WeakPolarHBondContact OD1-CA 3.06Å; N25-G28 PolarHBondContact OD1-N 2.75Å; G28-Q31 PolarHBondContact O-N 2.82Å; G28-V32 WeakPolarHBondContact O-CG2 3.45Å; G28-V32 PolarHBondContact O-N 2.91Å; G28-V32 VanDerWaalsContact O-N 3.13Å
29L97.7Very high95.2Very high27 Ų2757.9 Ų57.914%0.14130%0.302CS..Hα-helixtrans-62.3-45174.8-177.561.5000111.5F24 N25 E26 Q31 V32 L33 V76F24-L29 HydrophobicContact CE1-CD2 4.42Å; F24-L29 HydrophobicContact CZ-CD2 4Å; N25-L29 PolarHBondContact O-N 2.78Å; E26-L29 PolarHBondContact O-N 3.41Å; L29-Q31 VanDerWaalsContact C-N 3.34Å; L29-Q31 PolarHBondContact O-N 3.27Å; L29-V32 PolarHBondContact O-N 3Å; L29-L33 HydrophobicContact CG-CD1 4.25Å; L29-L33 WeakPolarHBondContact O-CG 3.34Å; L29-L33 PolarHBondContact O-N 3.32Å; L29-V76 HydrophobicContact CD1-CB 4.29Å; L29-V76 HydrophobicContact CD1-CG1 3.48Å; L29-V76 VanDerWaalsContact CD1-CG1 3.48Å; L29-V76 HydrophobicContact CD1-CG2 3.85Å
30R98.1Very high96.6Very high107 Ų10762.5 Ų62.540%0.40431%0.31SS..Hα-helixtrans-59.5-43.7177.7-167.4-176.4-58.4122.41.7111.8E26 D27 V32 L33 Q34E26-R30 WeakPolarHBondContact O-CB 3.08Å; E26-R30 PolarHBondContact O-N 3.39Å; E26-R30 IonicContact OE1-CZ 3.71Å; E26-R30 IonicContact OE1-NH2 2.76Å; E26-R30 PolarHBondContact OE1-NH2 3.18Å; D27-R30 PolarHBondContact O-N 2.88Å; D27-R30 IonicContact OD1-CZ 2.92Å; D27-R30 IonicContact OD1-NH1 3.88Å; D27-R30 PolarHBondContact OD1-NH1 3.23Å; D27-R30 IonicContact OD1-NH2 3.13Å; R30-V32 PolarHBondContact O-N 3.4Å; R30-L33 PolarHBondContact O-N 2.94Å; R30-Q34 WeakPolarHBondContact O-CG 3.14Å; R30-Q34 PolarHBondContact O-N 3.2Å
31Q98.2Very high97.2Very high83 Ų8362.5 Ų62.539%0.38831%0.31SS..Hα-helixtrans-61.9-41.3177.2-72.8172.323.500112.3K5 D27 G28 L29 Q34 E35K5-Q31 HydrophobicContact CG-CB 4.34Å; D27-Q31 VanDerWaalsContact O-CG 3.3Å; D27-Q31 WeakPolarHBondContact O-CG 3.49Å; D27-Q31 PolarHBondContact O-N 3.03Å; G28-Q31 PolarHBondContact O-N 2.82Å; L29-Q31 VanDerWaalsContact C-N 3.34Å; L29-Q31 PolarHBondContact O-N 3.27Å; Q31-Q34 PolarHBondContact O-N 3.08Å; Q31-E35 PolarHBondContact O-N 3.48Å
32V98.3Very high97.5Very high0 Ų066.6 Ų66.60%033%0.329CS..Hα-helixtrans-65.5-41.7176.61770000111.2K5 A6 L9 G28 L29 R30 E35 M36 N72 V76K5-V32 HydrophobicContact CB-CG2 3.66Å; A6-V32 HydrophobicContact CB-CG1 4.05Å; A6-V32 HydrophobicContact CB-CG2 3.94Å; L9-V32 HydrophobicContact CD1-CG2 4.15Å; G28-V32 WeakPolarHBondContact O-CG2 3.45Å; G28-V32 PolarHBondContact O-N 2.91Å; G28-V32 VanDerWaalsContact O-N 3.13Å; L29-V32 PolarHBondContact O-N 3Å; R30-V32 PolarHBondContact O-N 3.4Å; V32-E35 PolarHBondContact O-N 2.9Å; V32-M36 HydrophobicContact CG1-CG 4.45Å; V32-M36 HydrophobicContact CG1-SD 4.19Å; V32-M36 VanDerWaalsContact O-CG 3.29Å; V32-M36 WeakPolarHBondContact O-CG 3.48Å; V32-M36 PolarHBondContact O-N 3.42Å; V32-N72 HydrophobicContact CG1-CB 3.9Å; V32-V76 HydrophobicContact CB-CG2 4.31Å; V32-V76 HydrophobicContact CG1-CG2 3.65Å
33L98.3Very high97.6Very high90 Ų9066.6 Ų66.647%0.47133%0.328SS..Hα-helixtrans-64.6-40.2178-68.2175.1000112L29 R30 M36 E37L29-L33 HydrophobicContact CG-CD1 4.25Å; L29-L33 WeakPolarHBondContact O-CG 3.34Å; L29-L33 PolarHBondContact O-N 3.32Å; R30-L33 PolarHBondContact O-N 2.94Å; L33-M36 HydrophobicContact CD2-SD 4.37Å; L33-M36 WeakPolarHBondContact O-CB 3.47Å; L33-M36 PolarHBondContact O-N 2.66Å; L33-E37 PolarHBondContact O-N 2.88Å
34Q98.2Very high97.7Very high114 Ų11468.3 Ų68.353%0.53333%0.327SS..Hα-helixtrans-62.9-41.7173.5-73173.3-14.900112.2R30 Q31 M36 E37 A38R30-Q34 WeakPolarHBondContact O-CG 3.14Å; R30-Q34 PolarHBondContact O-N 3.2Å; Q31-Q34 PolarHBondContact O-N 3.08Å; Q34-M36 VanDerWaalsContact C-N 3.32Å; Q34-M36 PolarHBondContact O-N 3.46Å; Q34-E37 PolarHBondContact O-N 3.14Å; Q34-A38 WeakPolarHBondContact O-CB 3.38Å; Q34-A38 PolarHBondContact O-N 3.24Å
35E97.8Very high97.7Very high41 Ų4168.8 Ų68.819%0.19234%0.34CS..Hα-helixtrans-61-42.5173.1-174.2-173.2170.600110.9F2 C3 Q31 V32 L39F2-E35 WeakPolarHBondContact CA-OE1 3.41Å; C3-E35 PolarHBondContact N-OE1 3.37Å; Q31-E35 PolarHBondContact O-N 3.48Å; V32-E35 PolarHBondContact O-N 2.9Å; E35-L39 HydrophobicContact CG-CD1 4.09Å; E35-L39 HydrophobicContact CG-CG 4.44Å; E35-L39 WeakPolarHBondContact O-CB 3.43Å; E35-L39 VanDerWaalsContact O-CG 3.24Å; E35-L39 WeakPolarHBondContact O-CG 3.37Å; E35-L39 PolarHBondContact O-N 2.61Å
36M98.4Very high97.7Very high40 Ų4068.2 Ų68.220%0.19734%0.337CS..Hα-helixtrans-63.9-42.1177.8-71.1177.570.100112.5V32 L33 Q34 L39 Y40 L69 N72 Q73V32-M36 HydrophobicContact CG1-CG 4.45Å; V32-M36 HydrophobicContact CG1-SD 4.19Å; V32-M36 VanDerWaalsContact O-CG 3.29Å; V32-M36 WeakPolarHBondContact O-CG 3.48Å; V32-M36 PolarHBondContact O-N 3.42Å; L33-M36 HydrophobicContact CD2-SD 4.37Å; L33-M36 WeakPolarHBondContact O-CB 3.47Å; L33-M36 PolarHBondContact O-N 2.66Å; Q34-M36 VanDerWaalsContact C-N 3.32Å; Q34-M36 PolarHBondContact O-N 3.46Å; M36-L39 PolarHBondContact O-N 3.42Å; M36-Y40 VanDerWaalsContact O-CB 3.26Å; M36-Y40 WeakPolarHBondContact O-CB 3.42Å; M36-Y40 PolarHBondContact O-N 2.79Å; M36-L69 HydrophobicContact CB-CD2 3.82Å; M36-L69 HydrophobicContact CG-CD2 4.04Å; M36-L69 VanDerWaalsContact O-CD2 3.25Å; M36-L69 WeakPolarHBondContact O-CD2 3.44Å; M36-N72 HydrophobicContact CG-CB 3.64Å; M36-N72 HydrophobicContact SD-CB 3.67Å; M36-Q73 HydrophobicContact CE-CB 4.22Å
37E98.4Very high97.7Very high123 Ų12365.7 Ų65.758%0.57533%0.329SS*.Hα-helixtrans-62.5-50.2176.9-173.9169.4-151.300111.1L33 Q34 L39 Y40 E41L33-E37 PolarHBondContact O-N 2.88Å; Q34-E37 PolarHBondContact O-N 3.14Å; E37-L39 VanDerWaalsContact C-N 3.34Å; E37-L39 PolarHBondContact O-N 3.46Å; E37-Y40 WeakPolarHBondContact O-CB 3.38Å; E37-Y40 PolarHBondContact O-N 2.59Å; E37-Y40 VanDerWaalsContact O-N 3.1Å; E37-E41 WeakPolarHBondContact O-CG 3.11Å; E37-E41 PolarHBondContact O-N 3.05Å
38A98.1Very high97.6Very high40 Ų4064.5 Ų64.533%0.33133%0.328SS..Hα-helixtrans-60.1-42.9177.900000112.4Q34 Y40 Q42Q34-A38 WeakPolarHBondContact O-CB 3.38Å; Q34-A38 PolarHBondContact O-N 3.24Å; A38-Y40 VanDerWaalsContact C-N 3.33Å; A38-Y40 PolarHBondContact O-N 2.81Å; A38-Q42 VanDerWaalsContact O-CG 3.24Å; A38-Q42 WeakPolarHBondContact O-CG 3.47Å; A38-Q42 PolarHBondContact O-N 3.38Å; A38-Q42 VanDerWaalsContact O-N 3.15Å
39L97.8Very high97.5Very high4 Ų467.9 Ų67.92%0.02134%0.341CS..Hα-helixtrans-63.2-40.3175.6-77.5177.6000111.9F2 E35 M36 E37 N43 R65 C68 L69F2-L39 HydrophobicContact CD1-CD1 4.26Å; F2-L39 HydrophobicContact CD1-CD2 3.98Å; F2-L39 HydrophobicContact CE1-CD2 3.54Å; F2-L39 HydrophobicContact CE1-CG 4.47Å; F2-L39 HydrophobicContact CZ-CD2 3.93Å; E35-L39 HydrophobicContact CG-CD1 4.09Å; E35-L39 HydrophobicContact CG-CG 4.44Å; E35-L39 WeakPolarHBondContact O-CB 3.43Å; E35-L39 VanDerWaalsContact O-CG 3.24Å; E35-L39 WeakPolarHBondContact O-CG 3.37Å; E35-L39 PolarHBondContact O-N 2.61Å; M36-L39 PolarHBondContact O-N 3.42Å; E37-L39 VanDerWaalsContact C-N 3.34Å; E37-L39 PolarHBondContact O-N 3.46Å; L39-N43 WeakPolarHBondContact O-CB 3.11Å; L39-N43 PolarHBondContact O-N 3.23Å; L39-R65 HydrophobicContact CD2-CB 4.27Å; L39-R65 HydrophobicContact CD2-CG 3.84Å; L39-C68 HydrophobicContact CD1-CB 3.97Å; L39-L69 HydrophobicContact CB-CD2 3.83Å; L39-L69 HydrophobicContact CB-CG 4.16Å; L39-L69 HydrophobicContact CD1-CD2 4.4Å
40Y98.2Very high97.4Very high128 Ų12867.4 Ų67.450%0.50234%0.341SS..Hα-helixtrans-65.3-47.3179.5175-98.2000111.9M36 E37 A38 N43 Q44M36-Y40 VanDerWaalsContact O-CB 3.26Å; M36-Y40 WeakPolarHBondContact O-CB 3.42Å; M36-Y40 PolarHBondContact O-N 2.79Å; E37-Y40 WeakPolarHBondContact O-CB 3.38Å; E37-Y40 PolarHBondContact O-N 2.59Å; E37-Y40 VanDerWaalsContact O-N 3.1Å; A38-Y40 VanDerWaalsContact C-N 3.33Å; A38-Y40 PolarHBondContact O-N 2.81Å; Y40-N43 PolarHBondContact O-N 3.22Å; Y40-Q44 HydrophobicContact CD1-CG 4.32Å; Y40-Q44 HydrophobicContact CE1-CG 3.85Å; Y40-Q44 HydrophobicContact CE2-CG 4.06Å; Y40-Q44 WeakPolarHBondContact O-CG 3.48Å; Y40-Q44 PolarHBondContact O-N 3.48Å; Y40-Q44 PolarHBondContact OH-NE2 2.95Å; Y40-Q44 VanDerWaalsContact OH-NE2 3.08Å
41E98.3Very high97.1Very high121 Ų12171 Ų7157%0.56536%0.36SS*.Hα-helixtrans-61.3-48179.1-70.5-178159.700112.1E37 N43 Q44 A45E37-E41 WeakPolarHBondContact O-CG 3.11Å; E37-E41 PolarHBondContact O-N 3.05Å; E41-N43 PolarHBondContact O-N 3.35Å; E41-Q44 PolarHBondContact O-N 2.83Å; E41-A45 PolarHBondContact O-N 3.41Å
42Q97.1Very high96.9Very high102 Ų10271.5 Ų71.548%0.47738%0.378SS..Hα-helixtrans-60.7-38.3175.9-68173.222.200111.4A38 A45 D46 R65A38-Q42 VanDerWaalsContact O-CG 3.24Å; A38-Q42 WeakPolarHBondContact O-CG 3.47Å; A38-Q42 PolarHBondContact O-N 3.38Å; A38-Q42 VanDerWaalsContact O-N 3.15Å; Q42-A45 PolarHBondContact O-N 2.95Å; Q42-D46 PolarHBondContact O-N 2.92Å; Q42-R65 PolarHBondContact O-NH1 2.97Å; Q42-R65 VanDerWaalsContact O-NH1 3.17Å
43N96.8Very high96.6Very high17 Ų1774.8 Ų74.89%0.09141%0.405CS..Hα-helixtrans-68.8-38.6178.9-152.443.4000112.5L39 Y40 E41 V47 I62 R65L39-N43 WeakPolarHBondContact O-CB 3.11Å; L39-N43 PolarHBondContact O-N 3.23Å; Y40-N43 PolarHBondContact O-N 3.22Å; E41-N43 PolarHBondContact O-N 3.35Å; N43-V47 WeakPolarHBondContact O-CB 3.45Å; N43-V47 WeakPolarHBondContact O-CG2 3.43Å; N43-V47 PolarHBondContact O-N 3.37Å; N43-I62 WeakPolarHBondContact OD1-CA 3.4Å; N43-I62 WeakPolarHBondContact OD1-CG2 3.34Å; N43-I62 PolarHBondContact OD1-O 3.25Å; N43-R65 HydrophobicContact CB-CB 4.45Å; N43-R65 PolarHBondContact OD1-NE 2.91Å; N43-R65 VanDerWaalsContact OD1-NE 3.1Å; N43-R65 PolarHBondContact OD1-NH2 2.99Å; N43-R65 VanDerWaalsContact OD1-NH2 3.13Å
44Q97.2Very high96.2Very high87 Ų8773.5 Ų73.541%0.40741%0.414SS..Hα-helixtrans-64-41.3175.2-79.7-70.5-10.100112.3Y40 E41 S48Y40-Q44 HydrophobicContact CD1-CG 4.32Å; Y40-Q44 HydrophobicContact CE1-CG 3.85Å; Y40-Q44 HydrophobicContact CE2-CG 4.06Å; Y40-Q44 WeakPolarHBondContact O-CG 3.48Å; Y40-Q44 PolarHBondContact O-N 3.48Å; Y40-Q44 PolarHBondContact OH-NE2 2.95Å; Y40-Q44 VanDerWaalsContact OH-NE2 3.08Å; E41-Q44 PolarHBondContact O-N 2.83Å; Q44-S48 WeakPolarHBondContact O-CB 3.27Å; Q44-S48 PolarHBondContact O-N 2.74Å; Q44-S48 PolarHBondContact O-OG 3.19Å
45A96.8Very high95.8Very high55 Ų5572.7 Ų72.746%0.45541%0.406SS..Hα-helixtrans-59.2-51.6176.100000111.3E41 Q42 V47 S48 E49E41-A45 PolarHBondContact O-N 3.41Å; Q42-A45 PolarHBondContact O-N 2.95Å; A45-V47 PolarHBondContact O-N 2.86Å; A45-S48 WeakPolarHBondContact O-CB 3.34Å; A45-S48 PolarHBondContact O-N 3.3Å; A45-S48 VanDerWaalsContact O-N 3.15Å; A45-E49 PolarHBondContact O-N 3.49Å
46D96.6Very high95.4Very high36 Ų3673 Ų7319%0.19342%0.421CS..Hα-helixtrans-70.2-32.3-177.3-67.60.2000112.7Q42 S48 E49 A50 L58 I62 R65Q42-D46 PolarHBondContact O-N 2.92Å; D46-S48 VanDerWaalsContact C-N 3.3Å; D46-E49 PolarHBondContact O-N 3.2Å; D46-A50 WeakPolarHBondContact O-CB 3.2Å; D46-A50 PolarHBondContact O-N 3Å; D46-L58 HydrophobicContact CB-CD1 4.22Å; D46-I62 HydrophobicContact CB-CD1 4.11Å; D46-I62 HydrophobicContact CB-CG1 3.96Å; D46-R65 VanDerWaalsContact CB-NH2 3.34Å; D46-R65 VanDerWaalsContact CG-NH2 3.34Å; D46-R65 IonicContact OD2-CZ 2.85Å; D46-R65 IonicContact OD2-NH1 3.53Å; D46-R65 PolarHBondContact OD2-NH1 3.42Å; D46-R65 IonicContact OD2-NH2 3.4Å; D46-R65 PolarHBondContact OD2-NH2 3.42Å
47V96.8Very high95.3Very high61 Ų6175.7 Ų75.737%0.3744%0.436SS..Hα-helixtrans-62.7-41.2172.2165.90000110.6N43 A45 K51 I62N43-V47 WeakPolarHBondContact O-CB 3.45Å; N43-V47 WeakPolarHBondContact O-CG2 3.43Å; N43-V47 PolarHBondContact O-N 3.37Å; A45-V47 PolarHBondContact O-N 2.86Å; V47-K51 WeakPolarHBondContact O-CB 3.34Å; V47-K51 PolarHBondContact O-N 3.1Å; V47-K51 VanDerWaalsContact O-N 3.09Å; V47-I62 HydrophobicContact CG2-CD1 3.86Å; V47-I62 HydrophobicContact CG2-CG1 4.18Å; V47-I62 HydrophobicContact CG2-CG2 3.78Å
48S95.6Very high95.1Very high70 Ų7070.9 Ų70.949%0.4941%0.414SS..Hα-helixtrans-65.7-43.5177.9-58.50000111.2Q44 A45 D46 K51 A52Q44-S48 WeakPolarHBondContact O-CB 3.27Å; Q44-S48 PolarHBondContact O-N 2.74Å; Q44-S48 PolarHBondContact O-OG 3.19Å; A45-S48 WeakPolarHBondContact O-CB 3.34Å; A45-S48 PolarHBondContact O-N 3.3Å; A45-S48 VanDerWaalsContact O-N 3.15Å; D46-S48 VanDerWaalsContact C-N 3.3Å; S48-K51 PolarHBondContact O-N 3.04Å; S48-A52 WeakPolarHBondContact O-CB 3.48Å; S48-A52 PolarHBondContact O-N 3.02Å
49E95Very high95Very high79 Ų7972.5 Ų72.537%0.36942%0.416SS..Hα-helixtrans-65.8-45.5176.2-169.5-176.5158.400112.2A45 D46 K51 A52 A53 R55 L58A45-E49 PolarHBondContact O-N 3.49Å; D46-E49 PolarHBondContact O-N 3.2Å; E49-K51 PolarHBondContact O-N 3.46Å; E49-A52 PolarHBondContact O-N 3.4Å; E49-A53 HydrophobicContact CG-CB 4.47Å; E49-A53 WeakPolarHBondContact O-CB 3.32Å; E49-A53 PolarHBondContact O-N 3.16Å; E49-R55 HydrophobicContact CG-CG 4.27Å; E49-R55 IonicContact OE1-CZ 2.74Å; E49-R55 IonicContact OE1-NH1 3.72Å; E49-R55 PolarHBondContact OE1-NH1 2.91Å; E49-L58 HydrophobicContact CB-CD1 4.16Å; E49-L58 HydrophobicContact CG-CD1 4.26Å
50A94.7Very high94.9Very high17 Ų1776.5 Ų76.514%0.1444%0.442CS..Hα-helixtrans-57.2-38.1176.900000111.8D46 G54 R55 I62D46-A50 WeakPolarHBondContact O-CB 3.2Å; D46-A50 PolarHBondContact O-N 3Å; A50-G54 VanDerWaalsContact O-CA 3.27Å; A50-G54 WeakPolarHBondContact O-CA 3.34Å; A50-G54 PolarHBondContact O-N 3.24Å; A50-G54 VanDerWaalsContact O-N 3.16Å; A50-R55 PolarHBondContact O-N 3.12Å; A50-I62 HydrophobicContact CB-CD1 4.32Å
51K93.3Very high94.8Very high184 Ų18473.2 Ų73.280%0.844%0.438SS*.Hα-helixtrans-75.6-42.1177.9-170.9178.7178.9-175.90112.9V47 S48 E49V47-K51 WeakPolarHBondContact O-CB 3.34Å; V47-K51 PolarHBondContact O-N 3.1Å; V47-K51 VanDerWaalsContact O-N 3.09Å; S48-K51 PolarHBondContact O-N 3.04Å; E49-K51 PolarHBondContact O-N 3.46Å
52A94.4Very high94.8Very high92 Ų9268.4 Ų68.476%0.7642%0.416SS*.Hα-helixtrans-77.5-42.1-175.400000112.9S48 E49S48-A52 WeakPolarHBondContact O-CB 3.48Å; S48-A52 PolarHBondContact O-N 3.02Å; E49-A52 PolarHBondContact O-N 3.4Å
53A90.9Very high94.8Very high70 Ų7070.2 Ų70.258%0.57942%0.422SS*.Hα-helixtrans-106.81.2-173.300000113.6E49 R55E49-A53 HydrophobicContact CG-CB 4.47Å; E49-A53 WeakPolarHBondContact O-CB 3.32Å; E49-A53 PolarHBondContact O-N 3.16Å; A53-R55 VanDerWaalsContact C-N 3.27Å; A53-R55 HydrophobicContact CB-CG 4Å; A53-R55 PolarHBondContact O-N 3.45Å
54G89.9Confident94.8Very high63 Ų6374.1 Ų74.165%0.64944%0.443SS*.  trans67.424.5-179.500000114.1A50 G56A50-G54 VanDerWaalsContact O-CA 3.27Å; A50-G54 WeakPolarHBondContact O-CA 3.34Å; A50-G54 PolarHBondContact O-N 3.24Å; A50-G54 VanDerWaalsContact O-N 3.16Å; G54-G56 VanDerWaalsContact C-N 3.29Å; G54-G56 PolarHBondContact O-N 3.37Å
55R89.6Confident94.8Very high96 Ų9671 Ų7136%0.36243%0.427SS..  trans-73.272.6-178.7-70.1-74-57.7-87.46.9112.4E49 A50 A53 D57 L58E49-R55 HydrophobicContact CG-CG 4.27Å; E49-R55 IonicContact OE1-CZ 2.74Å; E49-R55 IonicContact OE1-NH1 3.72Å; E49-R55 PolarHBondContact OE1-NH1 2.91Å; A50-R55 PolarHBondContact O-N 3.12Å; A53-R55 VanDerWaalsContact C-N 3.27Å; A53-R55 HydrophobicContact CB-CG 4Å; A53-R55 PolarHBondContact O-N 3.45Å; R55-D57 VanDerWaalsContact C-OD1 3.22Å; R55-D57 WeakPolarHBondContact CA-OD1 3.4Å; R55-D57 WeakPolarHBondContact CB-OD1 3.47Å; R55-D57 IonicContact CZ-OD1 3.69Å; R55-D57 IonicContact CZ-OD2 2.76Å; R55-D57 IonicContact NE-OD1 2.79Å; R55-D57 PolarHBondContact NE-OD1 3.24Å; R55-D57 IonicContact NE-OD2 3.95Å; R55-D57 PolarHBondContact NE-OD2 2.86Å; R55-D57 IonicContact NH2-OD1 2.84Å; R55-D57 IonicContact NH2-OD2 2.65Å; R55-D57 PolarHBondContact NH2-OD2 2.91Å; R55-D57 PolarHBondContact O-N 2.88Å; R55-L58 HydrophobicContact CB-CD1 3.76Å; R55-L58 HydrophobicContact CB-CG 4.06Å; R55-L58 PolarHBondContact O-N 3.42Å
56G90.6Very high94.9Very high49 Ų4972.9 Ų72.951%0.50543%0.426SS..G310 helixtrans-63.8-17.6178.800000114.6G54 L58 I59G54-G56 VanDerWaalsContact C-N 3.29Å; G54-G56 PolarHBondContact O-N 3.37Å; G56-L58 PolarHBondContact O-N 3.06Å; G56-I59 WeakPolarHBondContact O-CB 3.38Å; G56-I59 VanDerWaalsContact O-CG1 3.22Å; G56-I59 WeakPolarHBondContact O-CG1 3.31Å; G56-I59 PolarHBondContact O-N 3.37Å
57D94.9Very high95Very high96 Ų9675 Ų7551%0.51344%0.443SS..G310 helixtrans-65.4-21.3174.558.8-53.1000113.5R55 P60R55-D57 VanDerWaalsContact C-OD1 3.22Å; R55-D57 WeakPolarHBondContact CA-OD1 3.4Å; R55-D57 WeakPolarHBondContact CB-OD1 3.47Å; R55-D57 IonicContact CZ-OD1 3.69Å; R55-D57 IonicContact CZ-OD2 2.76Å; R55-D57 IonicContact NE-OD1 2.79Å; R55-D57 PolarHBondContact NE-OD1 3.24Å; R55-D57 IonicContact NE-OD2 3.95Å; R55-D57 PolarHBondContact NE-OD2 2.86Å; R55-D57 IonicContact NH2-OD1 2.84Å; R55-D57 IonicContact NH2-OD2 2.65Å; R55-D57 PolarHBondContact NH2-OD2 2.91Å; R55-D57 PolarHBondContact O-N 2.88Å; D57-P60 VanDerWaalsContact O-CD 3.3Å; D57-P60 WeakPolarHBondContact O-CD 3.28Å
58L95.4Very high95Very high22 Ų2272.7 Ų72.712%0.11543%0.43CS..G310 helixtrans-79.7-16.1178-60.8175.9000113.4D46 E49 R55 G56 S61 I62D46-L58 HydrophobicContact CB-CD1 4.22Å; E49-L58 HydrophobicContact CB-CD1 4.16Å; E49-L58 HydrophobicContact CG-CD1 4.26Å; R55-L58 HydrophobicContact CB-CD1 3.76Å; R55-L58 HydrophobicContact CB-CG 4.06Å; R55-L58 PolarHBondContact O-N 3.42Å; G56-L58 PolarHBondContact O-N 3.06Å; L58-S61 PolarHBondContact O-N 3.4Å; L58-I62 HydrophobicContact CB-CD1 4.13Å; L58-I62 WeakPolarHBondContact O-CG1 3.48Å; L58-I62 PolarHBondContact O-N 3.02Å
59I94.9Very high95.2Very high73 Ų7370.5 Ų70.537%0.37441%0.413SS..Hα-helixtrans-56.8-42.4-174.6-61.2-65.3000113.4G56 I62 K63G56-I59 WeakPolarHBondContact O-CB 3.38Å; G56-I59 VanDerWaalsContact O-CG1 3.22Å; G56-I59 WeakPolarHBondContact O-CG1 3.31Å; G56-I59 PolarHBondContact O-N 3.37Å; I59-I62 HydrophobicContact CD1-CD1 4.42Å; I59-I62 PolarHBondContact O-N 3.17Å; I59-K63 HydrophobicContact CG2-CD 4.29Å; I59-K63 WeakPolarHBondContact O-CG 3.38Å; I59-K63 PolarHBondContact O-N 2.93Å
60P96.8Very high95.3Very high88 Ų8870.8 Ų70.857%0.57142%0.416SS*.Hα-helixtrans-61.6-44.8176.2-23.635.8000113D57 I62 K63 L64D57-P60 VanDerWaalsContact O-CD 3.3Å; D57-P60 WeakPolarHBondContact O-CD 3.28Å; P60-I62 VanDerWaalsContact C-N 3.31Å; P60-I62 PolarHBondContact O-N 3.21Å; P60-K63 PolarHBondContact O-N 3.49Å; P60-L64 PolarHBondContact O-N 3.3Å
61S96.1Very high95.5Very high59 Ų5975.8 Ų75.841%0.41343%0.431SS..Hα-helixtrans-62.8-39.4177.4-57.70000111.6L58 L64 R65L58-S61 PolarHBondContact O-N 3.4Å; S61-L64 PolarHBondContact O-N 3.28Å; S61-R65 PolarHBondContact O-N 3.22Å; S61-R65 VanDerWaalsContact O-N 3.08Å
62I97.1Very high95.7Very high21 Ų2167 Ų6711%0.10839%0.393CS..Hα-helixtrans-61.8-47.5175.8-69.2162.9000111.3N43 D46 V47 A50 L58 I59 P60 L64 R65 H66N43-I62 WeakPolarHBondContact OD1-CA 3.4Å; N43-I62 WeakPolarHBondContact OD1-CG2 3.34Å; N43-I62 PolarHBondContact OD1-O 3.25Å; D46-I62 HydrophobicContact CB-CD1 4.11Å; D46-I62 HydrophobicContact CB-CG1 3.96Å; V47-I62 HydrophobicContact CG2-CD1 3.86Å; V47-I62 HydrophobicContact CG2-CG1 4.18Å; V47-I62 HydrophobicContact CG2-CG2 3.78Å; A50-I62 HydrophobicContact CB-CD1 4.32Å; L58-I62 HydrophobicContact CB-CD1 4.13Å; L58-I62 WeakPolarHBondContact O-CG1 3.48Å; L58-I62 PolarHBondContact O-N 3.02Å; I59-I62 HydrophobicContact CD1-CD1 4.42Å; I59-I62 PolarHBondContact O-N 3.17Å; P60-I62 VanDerWaalsContact C-N 3.31Å; P60-I62 PolarHBondContact O-N 3.21Å; I62-L64 VanDerWaalsContact C-N 3.34Å; I62-L64 PolarHBondContact O-N 3.46Å; I62-R65 PolarHBondContact O-N 3.14Å; I62-H66 WeakPolarHBondContact O-CB 3.39Å; I62-H66 PolarHBondContact O-N 3.17Å
63K97.1Very high95.9Very high139 Ų13967.7 Ų67.760%0.60438%0.381SS*.Hα-helixtrans-62.6-41.5177.8-74.4-178.7177-177.30111.9I59 P60 H66 C67I59-K63 HydrophobicContact CG2-CD 4.29Å; I59-K63 WeakPolarHBondContact O-CG 3.38Å; I59-K63 PolarHBondContact O-N 2.93Å; P60-K63 PolarHBondContact O-N 3.49Å; K63-H66 PolarHBondContact O-N 3.15Å; K63-C67 PolarHBondContact O-N 2.84Å; K63-C67 PolarHBondContact O-SG 2.89Å; K63-C67 VanDerWaalsContact O-SG 3.36Å
64L97.6Very high96.3Very high100 Ų10073.1 Ų73.152%0.52439%0.386SS..Hα-helixtrans-58.7-53.8177.5179.665.3000111.2F2 P60 S61 I62 H66 C67 C68F2-L64 HydrophobicContact CE2-CD2 4.4Å; P60-L64 PolarHBondContact O-N 3.3Å; S61-L64 PolarHBondContact O-N 3.28Å; I62-L64 VanDerWaalsContact C-N 3.34Å; I62-L64 PolarHBondContact O-N 3.46Å; L64-H66 VanDerWaalsContact C-N 3.3Å; L64-H66 PolarHBondContact O-N 2.77Å; L64-C67 PolarHBondContact O-N 3.03Å; L64-C68 PolarHBondContact O-N 3.41Å; L64-C68 PolarHBondContact O-SG 3.35Å; L64-C68 VanDerWaalsContact O-SG 3.33Å
65R97.8Very high96.7Very high21 Ų2170.4 Ų70.48%0.07936%0.357CS..Hα-helixtrans-61.3-39.6179-68.2-175.7-64.3-142.6-12.9112L39 Q42 N43 D46 S61 I62 C67 C68 L69L39-R65 HydrophobicContact CD2-CB 4.27Å; L39-R65 HydrophobicContact CD2-CG 3.84Å; Q42-R65 PolarHBondContact O-NH1 2.97Å; Q42-R65 VanDerWaalsContact O-NH1 3.17Å; N43-R65 HydrophobicContact CB-CB 4.45Å; N43-R65 PolarHBondContact OD1-NE 2.91Å; N43-R65 VanDerWaalsContact OD1-NE 3.1Å; N43-R65 PolarHBondContact OD1-NH2 2.99Å; N43-R65 VanDerWaalsContact OD1-NH2 3.13Å; D46-R65 VanDerWaalsContact CB-NH2 3.34Å; D46-R65 VanDerWaalsContact CG-NH2 3.34Å; D46-R65 IonicContact OD2-CZ 2.85Å; D46-R65 IonicContact OD2-NH1 3.53Å; D46-R65 PolarHBondContact OD2-NH1 3.42Å; D46-R65 IonicContact OD2-NH2 3.4Å; D46-R65 PolarHBondContact OD2-NH2 3.42Å; S61-R65 PolarHBondContact O-N 3.22Å; S61-R65 VanDerWaalsContact O-N 3.08Å; I62-R65 PolarHBondContact O-N 3.14Å; R65-C67 PolarHBondContact O-N 3.36Å; R65-C68 WeakPolarHBondContact O-CB 3.41Å; R65-C68 PolarHBondContact O-N 2.87Å; R65-L69 WeakPolarHBondContact O-CG 3.38Å; R65-L69 PolarHBondContact O-N 3.35Å
66H97.9Very high97.1Very high94 Ų9466.6 Ų66.644%0.43534%0.344SS..Hα-helixtrans-59.7-45.9175.1-177.969.5000112.2I62 K63 L64 C68 L69 L70I62-H66 WeakPolarHBondContact O-CB 3.39Å; I62-H66 PolarHBondContact O-N 3.17Å; K63-H66 PolarHBondContact O-N 3.15Å; L64-H66 VanDerWaalsContact C-N 3.3Å; L64-H66 PolarHBondContact O-N 2.77Å; H66-C68 VanDerWaalsContact C-N 3.33Å; H66-C68 PolarHBondContact O-N 3.4Å; H66-L69 PolarHBondContact O-N 2.96Å; H66-L70 WeakPolarHBondContact O-CG 3.43Å; H66-L70 PolarHBondContact O-N 3.43Å; H66-L70 VanDerWaalsContact O-N 3.12Å
67C98Very high97.5Very high80 Ų8068.4 Ų68.454%0.54135%0.345SS..Hα-helixtrans-62.4-38.7175-70.50000112.4K63 L64 R65 L70 R71K63-C67 PolarHBondContact O-N 2.84Å; K63-C67 PolarHBondContact O-SG 2.89Å; K63-C67 VanDerWaalsContact O-SG 3.36Å; L64-C67 PolarHBondContact O-N 3.03Å; R65-C67 PolarHBondContact O-N 3.36Å; C67-L70 PolarHBondContact O-N 3.37Å; C67-R71 WeakPolarHBondContact O-CB 3.03Å; C67-R71 PolarHBondContact O-N 2.88Å
68C98.1Very high97.6Very high14 Ų1466 Ų6610%0.09534%0.339CS..Hα-helixtrans-62.5-42.1175.1-67.70000112.2F2 C3 L39 L64 R65 H66 R71 N72F2-C68 HydrophobicContact CB-CB 4.14Å; F2-C68 VanDerWaalsContact CB-SG 3.56Å; F2-C68 VanDerWaalsContact CD2-SG 3.56Å; F2-C68 HydrophobicContact CG-CB 4.41Å; C3-C68 PolarHBondContact SG-O 2.93Å; L39-C68 HydrophobicContact CD1-CB 3.97Å; L64-C68 PolarHBondContact O-N 3.41Å; L64-C68 PolarHBondContact O-SG 3.35Å; L64-C68 VanDerWaalsContact O-SG 3.33Å; R65-C68 WeakPolarHBondContact O-CB 3.41Å; R65-C68 PolarHBondContact O-N 2.87Å; H66-C68 VanDerWaalsContact C-N 3.33Å; H66-C68 PolarHBondContact O-N 3.4Å; C68-R71 WeakPolarHBondContact O-CB 3.42Å; C68-R71 PolarHBondContact O-N 3.41Å; C68-N72 PolarHBondContact O-N 3.43Å
69L98.4Very high97.6Very high24 Ų2465 Ų6513%0.12633%0.334CS..Hα-helixtrans-59.6-47.7174.9-72.2170.3000112M36 L39 R65 H66 R71 N72 Q73M36-L69 HydrophobicContact CB-CD2 3.82Å; M36-L69 HydrophobicContact CG-CD2 4.04Å; M36-L69 VanDerWaalsContact O-CD2 3.25Å; M36-L69 WeakPolarHBondContact O-CD2 3.44Å; L39-L69 HydrophobicContact CB-CD2 3.83Å; L39-L69 HydrophobicContact CB-CG 4.16Å; L39-L69 HydrophobicContact CD1-CD2 4.4Å; R65-L69 WeakPolarHBondContact O-CG 3.38Å; R65-L69 PolarHBondContact O-N 3.35Å; H66-L69 PolarHBondContact O-N 2.96Å; L69-R71 VanDerWaalsContact C-N 3.27Å; L69-R71 PolarHBondContact O-N 2.91Å; L69-N72 PolarHBondContact O-N 3.18Å; L69-Q73 WeakPolarHBondContact O-CB 3.47Å; L69-Q73 PolarHBondContact O-N 3.39Å
70L98.4Very high97.8Very high84 Ų8464.4 Ų64.444%0.4433%0.331SS..Hα-helixtrans-62.2-36.3177-67177.7000111.9H66 C67 R74H66-L70 WeakPolarHBondContact O-CG 3.43Å; H66-L70 PolarHBondContact O-N 3.43Å; H66-L70 VanDerWaalsContact O-N 3.12Å; C67-L70 PolarHBondContact O-N 3.37Å; L70-R74 WeakPolarHBondContact O-CB 3.42Å; L70-R74 PolarHBondContact O-N 3.2Å
71R98.2Very high97.8Very high122 Ų12266.9 Ų66.946%0.4633%0.33SS..Hα-helixtrans-66-47.5175.9-178.960.9178.6-166.82.3111.5C3 C67 C68 L69 R74 C75C3-R71 HydrophobicContact CB-CG 4.14Å; C67-R71 WeakPolarHBondContact O-CB 3.03Å; C67-R71 PolarHBondContact O-N 2.88Å; C68-R71 WeakPolarHBondContact O-CB 3.42Å; C68-R71 PolarHBondContact O-N 3.41Å; L69-R71 VanDerWaalsContact C-N 3.27Å; L69-R71 PolarHBondContact O-N 2.91Å; R71-R74 PolarHBondContact O-N 3.42Å; R71-C75 PolarHBondContact O-N 2.97Å; R71-C75 PolarHBondContact O-SG 3.12Å
72N98.4Very high97.8Very high0 Ų066.5 Ų66.50%032%0.324CS..Hα-helixtrans-60.2-46.3176.6-78.2-9.2000111.2C3 A6 V32 M36 C68 L69 R74 C75 V76C3-N72 VanDerWaalsContact CA-OD1 3.26Å; C3-N72 WeakPolarHBondContact CA-OD1 3.41Å; C3-N72 WeakPolarHBondContact CB-OD1 3.47Å; C3-N72 PolarHBondContact SG-OD1 3.3Å; A6-N72 VanDerWaalsContact CB-OD1 3.28Å; A6-N72 WeakPolarHBondContact CB-OD1 3.47Å; V32-N72 HydrophobicContact CG1-CB 3.9Å; M36-N72 HydrophobicContact CG-CB 3.64Å; M36-N72 HydrophobicContact SD-CB 3.67Å; C68-N72 PolarHBondContact O-N 3.43Å; L69-N72 PolarHBondContact O-N 3.18Å; N72-R74 VanDerWaalsContact C-N 3.35Å; N72-R74 PolarHBondContact O-N 3Å; N72-C75 PolarHBondContact O-N 3.35Å; N72-V76 WeakPolarHBondContact O-CG2 3.42Å; N72-V76 PolarHBondContact O-N 3.32Å
73Q98.4Very high97.7Very high107 Ų10765.5 Ų65.550%0.532%0.319SS..Hα-helixtrans-55.5-49.1175.4-175.2-174.212.700111.5M36 L69 C75 V76 V77M36-Q73 HydrophobicContact CE-CB 4.22Å; L69-Q73 WeakPolarHBondContact O-CB 3.47Å; L69-Q73 PolarHBondContact O-N 3.39Å; Q73-C75 PolarHBondContact O-N 3.23Å; Q73-V76 PolarHBondContact O-N 3.32Å; Q73-V77 HydrophobicContact CG-CG2 4.47Å; Q73-V77 WeakPolarHBondContact O-CB 3.46Å; Q73-V77 VanDerWaalsContact O-CG2 3.29Å; Q73-V77 WeakPolarHBondContact O-CG2 3.43Å; Q73-V77 PolarHBondContact O-N 3.37Å
74R98.5Very high97.7Very high183 Ų18361.1 Ų61.169%0.69130%0.301SS*.Hα-helixtrans-61.6-42.8-179.7-174.5174.7-180175.30.4112.1L70 R71 N72 A78L70-R74 WeakPolarHBondContact O-CB 3.42Å; L70-R74 PolarHBondContact O-N 3.2Å; R71-R74 PolarHBondContact O-N 3.42Å; N72-R74 VanDerWaalsContact C-N 3.35Å; N72-R74 PolarHBondContact O-N 3Å; R74-A78 VanDerWaalsContact O-CB 3.26Å; R74-A78 WeakPolarHBondContact O-CB 3.33Å; R74-A78 PolarHBondContact O-N 3.43Å
75C98.2Very high97.6Very high7 Ų758.8 Ų58.85%0.04729%0.289CS..Hα-helixtrans-65.5-45.1178.1-76.10000111.9A6 I10 R71 N72 Q73 A78 Y79A6-C75 HydrophobicContact CB-CB 3.68Å; I10-C75 WeakPolarHBondContact CD1-O 3.48Å; I10-C75 HydrophobicContact CG1-CB 4.19Å; R71-C75 PolarHBondContact O-N 2.97Å; R71-C75 PolarHBondContact O-SG 3.12Å; N72-C75 PolarHBondContact O-N 3.35Å; Q73-C75 PolarHBondContact O-N 3.23Å; C75-A78 PolarHBondContact O-N 2.93Å; C75-Y79 WeakPolarHBondContact O-CB 3.39Å; C75-Y79 PolarHBondContact O-N 3.43Å
76V98.2Very high97.4Very high15 Ų1559 Ų599%0.09129%0.29CS..Hα-helixtrans-61.5-48177.1168.30000111.2L29 V32 N72 Q73 A78 Y79 L80L29-V76 HydrophobicContact CD1-CB 4.29Å; L29-V76 HydrophobicContact CD1-CG1 3.48Å; L29-V76 VanDerWaalsContact CD1-CG1 3.48Å; L29-V76 HydrophobicContact CD1-CG2 3.85Å; V32-V76 HydrophobicContact CB-CG2 4.31Å; V32-V76 HydrophobicContact CG1-CG2 3.65Å; N72-V76 WeakPolarHBondContact O-CG2 3.42Å; N72-V76 PolarHBondContact O-N 3.32Å; Q73-V76 PolarHBondContact O-N 3.32Å; V76-A78 VanDerWaalsContact C-N 3.34Å; V76-A78 PolarHBondContact O-N 3.12Å; V76-Y79 PolarHBondContact O-N 3.3Å; V76-L80 HydrophobicContact CG1-CD1 3.95Å; V76-L80 HydrophobicContact CG1-CG 4.46Å; V76-L80 WeakPolarHBondContact O-CG 3.27Å; V76-L80 PolarHBondContact O-N 3.43Å
77V98.2Very high97.3Very high87 Ų8754.5 Ų54.553%0.52727%0.269SS..Hα-helixtrans-62.1-42.6178.7172.30000111.1Q73 L80 Y81Q73-V77 HydrophobicContact CG-CG2 4.47Å; Q73-V77 WeakPolarHBondContact O-CB 3.46Å; Q73-V77 VanDerWaalsContact O-CG2 3.29Å; Q73-V77 WeakPolarHBondContact O-CG2 3.43Å; Q73-V77 PolarHBondContact O-N 3.37Å; V77-L80 PolarHBondContact O-N 2.96Å; V77-Y81 WeakPolarHBondContact O-CB 3.47Å; V77-Y81 PolarHBondContact O-N 3.44Å
78A97.3Very high97.2Very high47 Ų4756 Ų5639%0.38826%0.264SS..Hα-helixtrans-62.8-42.717700000112I10 R74 C75 V76 Y81 D82I10-A78 HydrophobicContact CD1-CB 4.02Å; R74-A78 VanDerWaalsContact O-CB 3.26Å; R74-A78 WeakPolarHBondContact O-CB 3.33Å; R74-A78 PolarHBondContact O-N 3.43Å; C75-A78 PolarHBondContact O-N 2.93Å; V76-A78 VanDerWaalsContact C-N 3.34Å; V76-A78 PolarHBondContact O-N 3.12Å; A78-Y81 PolarHBondContact O-N 2.87Å; A78-D82 WeakPolarHBondContact O-CB 3.35Å; A78-D82 PolarHBondContact O-N 3.26Å
79Y97.1Very high97Very high0 Ų057 Ų570%027%0.272CS..Hα-helixtrans-59.4-50.7176.2169.1-93.6000111.7L9 L13 F24 N25 C75 V76 Y81 R83L9-Y79 HydrophobicContact CB-CD2 3.86Å; L9-Y79 HydrophobicContact CB-CE2 4.45Å; L9-Y79 HydrophobicContact CB-CG 4.19Å; L9-Y79 HydrophobicContact CD2-CD2 4.34Å; L9-Y79 HydrophobicContact CD2-CE2 4.17Å; L13-Y79 HydrophobicContact CD1-CD2 3.35Å; L13-Y79 HydrophobicContact CD1-CE2 4.06Å; L13-Y79 HydrophobicContact CD1-CG 4.01Å; L13-Y79 HydrophobicContact CD2-CD2 4.25Å; L13-Y79 HydrophobicContact CD2-CE2 4.11Å; L13-Y79 HydrophobicContact CG-CD2 3.67Å; L13-Y79 HydrophobicContact CG-CE2 3.96Å; F24-Y79 HydrophobicContact CE2-CE1 4.29Å; N25-Y79 PolarHBondContact N-OH 2.97Å; C75-Y79 WeakPolarHBondContact O-CB 3.39Å; C75-Y79 PolarHBondContact O-N 3.43Å; V76-Y79 PolarHBondContact O-N 3.3Å; Y79-Y81 PolarHBondContact O-N 3.49Å; Y79-R83 WeakPolarHBondContact O-CG 3.26Å; Y79-R83 PolarHBondContact O-N 3.49Å; Y79-R83 WeakPolarHBondContact OH-CD 3.47Å
80L97.4Very high96.7Very high60 Ų6056 Ų5631%0.31427%0.267SS..Hα-helixtrans-64.6-41.4179.5-65.6173.9000111.9F24 V76 V77 R83 L84F24-L80 HydrophobicContact CE2-CD2 3.91Å; F24-L80 HydrophobicContact CZ-CD2 4.17Å; V76-L80 HydrophobicContact CG1-CD1 3.95Å; V76-L80 HydrophobicContact CG1-CG 4.46Å; V76-L80 WeakPolarHBondContact O-CG 3.27Å; V76-L80 PolarHBondContact O-N 3.43Å; V77-L80 PolarHBondContact O-N 2.96Å; L80-R83 PolarHBondContact O-N 3.27Å; L80-L84 WeakPolarHBondContact O-CG 3.47Å; L80-L84 PolarHBondContact O-N 3.4Å; L80-L84 VanDerWaalsContact O-N 3.07Å
81Y96.9Very high96.5Very high140 Ų14053 Ų5355%0.54925%0.25SC..Hα-helixtrans-67.8-43.8-178.5-175.5-109.2000112.6V77 A78 Y79 R83 L84 L85V77-Y81 WeakPolarHBondContact O-CB 3.47Å; V77-Y81 PolarHBondContact O-N 3.44Å; A78-Y81 PolarHBondContact O-N 2.87Å; Y79-Y81 PolarHBondContact O-N 3.49Å; Y81-R83 VanDerWaalsContact C-N 3.31Å; Y81-R83 PolarHBondContact O-N 3.45Å; Y81-L84 WeakPolarHBondContact O-CB 3.42Å; Y81-L84 PolarHBondContact O-N 2.98Å; Y81-L85 HydrophobicContact CD1-CD1 3.96Å; Y81-L85 HydrophobicContact CD1-CG 4.29Å; Y81-L85 HydrophobicContact CE1-CD1 3.59Å; Y81-L85 HydrophobicContact CE1-CD2 4.19Å; Y81-L85 HydrophobicContact CE1-CG 3.99Å; Y81-L85 HydrophobicContact CE2-CD2 4.46Å; Y81-L85 WeakPolarHBondContact O-CG 3.48Å; Y81-L85 PolarHBondContact O-N 3.5Å
82D95.6Very high96.1Very high52 Ų5251.1 Ų51.128%0.27824%0.243SC..Hα-helixtrans-59.4-43.9176.5-175.375.1000111.4L13 A78 L84 L85 R86L13-D82 HydrophobicContact CD1-CB 3.96Å; A78-D82 WeakPolarHBondContact O-CB 3.35Å; A78-D82 PolarHBondContact O-N 3.26Å; D82-L84 VanDerWaalsContact C-N 3.35Å; D82-L84 PolarHBondContact O-N 3.07Å; D82-L85 WeakPolarHBondContact O-CB 3.47Å; D82-L85 PolarHBondContact O-N 3.42Å; D82-L85 VanDerWaalsContact O-N 3.14Å; D82-R86 WeakPolarHBondContact O-CG 3.49Å; D82-R86 PolarHBondContact O-N 3.31Å; D82-R86 IonicContact OD2-CZ 2.63Å; D82-R86 IonicContact OD2-NE 3.15Å; D82-R86 PolarHBondContact OD2-NE 3.12Å; D82-R86 IonicContact OD2-NH2 3.24Å; D82-R86 PolarHBondContact OD2-NH2 3.16Å; D82-R86 VanDerWaalsContact OD2-NH2 3.15Å
83R96.3Very high95.6Very high0 Ų055.6 Ų55.60%026%0.264CS..Hα-helixtrans-59.3-43.8174.5-70.1-179.260.283.39.1112.4L13 L21 P22 A23 Y79 L80 Y81 L85 R86 I87 H105 E110L13-R83 HydrophobicContact CD2-CG 3.94Å; L21-R83 HydrophobicContact CD1-CB 4.45Å; P22-R83 PolarHBondContact O-NH1 3.13Å; P22-R83 PolarHBondContact O-NH2 2.87Å; A23-R83 PolarHBondContact O-NH1 2.93Å; Y79-R83 WeakPolarHBondContact O-CG 3.26Å; Y79-R83 PolarHBondContact O-N 3.49Å; Y79-R83 WeakPolarHBondContact OH-CD 3.47Å; L80-R83 PolarHBondContact O-N 3.27Å; Y81-R83 VanDerWaalsContact C-N 3.31Å; Y81-R83 PolarHBondContact O-N 3.45Å; R83-L85 VanDerWaalsContact C-N 3.32Å; R83-L85 PolarHBondContact O-N 3.04Å; R83-R86 PolarHBondContact O-N 3Å; R83-I87 WeakPolarHBondContact O-CD1 3.42Å; R83-I87 VanDerWaalsContact O-CG1 3.29Å; R83-I87 WeakPolarHBondContact O-CG1 3.27Å; R83-I87 PolarHBondContact O-N 3.42Å; R83-H105 PolarHBondContact NH2-O 2.95Å; R83-E110 WeakPolarHBondContact CB-OE1 3.41Å; R83-E110 IonicContact CZ-OE1 2.77Å; R83-E110 IonicContact CZ-OE2 3.4Å; R83-E110 IonicContact NE-OE1 3.51Å; R83-E110 PolarHBondContact NE-OE1 3.3Å; R83-E110 IonicContact NE-OE2 3.72Å; R83-E110 IonicContact NH2-OE1 2.76Å; R83-E110 PolarHBondContact NH2-OE1 3.48Å; R83-E110 IonicContact NH2-OE2 2.76Å; R83-E110 PolarHBondContact NH2-OE2 3.33Å
84L96.3Very high95Very high47 Ų4754.2 Ų54.225%0.24626%0.255CS..Hα-helixtrans-61.4-38.1174.9-73.9176.4000112.7L80 Y81 D82 I87 R88 W113L80-L84 WeakPolarHBondContact O-CG 3.47Å; L80-L84 PolarHBondContact O-N 3.4Å; L80-L84 VanDerWaalsContact O-N 3.07Å; Y81-L84 WeakPolarHBondContact O-CB 3.42Å; Y81-L84 PolarHBondContact O-N 2.98Å; D82-L84 VanDerWaalsContact C-N 3.35Å; D82-L84 PolarHBondContact O-N 3.07Å; L84-I87 PolarHBondContact O-N 3.12Å; L84-R88 WeakPolarHBondContact O-CB 3.18Å; L84-R88 PolarHBondContact O-N 3.09Å; L84-W113 HydrophobicContact CD2-CB 4.35Å; L84-W113 HydrophobicContact CD2-CD2 3.55Å; L84-W113 HydrophobicContact CD2-CE3 3.78Å; L84-W113 HydrophobicContact CD2-CG 3.78Å; L84-W113 HydrophobicContact CD2-CZ3 4.38Å
85L95.4Very high94.5Very high51 Ų5146.3 Ų46.327%0.26723%0.23SC..Hα-helixtrans-63-42.6175-67.1177.4000111.6Y81 D82 R83 R88 A89Y81-L85 HydrophobicContact CD1-CD1 3.96Å; Y81-L85 HydrophobicContact CD1-CG 4.29Å; Y81-L85 HydrophobicContact CE1-CD1 3.59Å; Y81-L85 HydrophobicContact CE1-CD2 4.19Å; Y81-L85 HydrophobicContact CE1-CG 3.99Å; Y81-L85 HydrophobicContact CE2-CD2 4.46Å; Y81-L85 WeakPolarHBondContact O-CG 3.48Å; Y81-L85 PolarHBondContact O-N 3.5Å; D82-L85 WeakPolarHBondContact O-CB 3.47Å; D82-L85 PolarHBondContact O-N 3.42Å; D82-L85 VanDerWaalsContact O-N 3.14Å; R83-L85 VanDerWaalsContact C-N 3.32Å; R83-L85 PolarHBondContact O-N 3.04Å; L85-R88 VanDerWaalsContact CD2-NH2 3.32Å; L85-R88 WeakPolarHBondContact O-CB 3.42Å; L85-R88 PolarHBondContact O-N 3.46Å; L85-A89 PolarHBondContact O-N 3.35Å
86R95.2Very high94Very high25 Ų2549.1 Ų49.19%0.09425%0.25CC..Hα-helixtrans-63.7-45.8174.9-64.2174.6-171.6-113.9-0.8111.5L13 S17 Q20 L21 D82 R83 R88 A89 L90L13-R86 PolarHBondContact O-NH2 3.33Å; S17-R86 PolarHBondContact O-NH1 2.98Å; Q20-R86 WeakPolarHBondContact O-CD 3.44Å; Q20-R86 PolarHBondContact O-NH1 2.93Å; L21-R86 HydrophobicContact CD1-CB 4.23Å; D82-R86 WeakPolarHBondContact O-CG 3.49Å; D82-R86 PolarHBondContact O-N 3.31Å; D82-R86 IonicContact OD2-CZ 2.63Å; D82-R86 IonicContact OD2-NE 3.15Å; D82-R86 PolarHBondContact OD2-NE 3.12Å; D82-R86 IonicContact OD2-NH2 3.24Å; D82-R86 PolarHBondContact OD2-NH2 3.16Å; D82-R86 VanDerWaalsContact OD2-NH2 3.15Å; R83-R86 PolarHBondContact O-N 3Å; R86-R88 VanDerWaalsContact C-N 3.29Å; R86-R88 PolarHBondContact O-N 2.91Å; R86-A89 WeakPolarHBondContact O-CB 3.43Å; R86-A89 PolarHBondContact O-N 3.3Å; R86-A89 VanDerWaalsContact O-N 3.1Å; R86-L90 WeakPolarHBondContact O-CG 3.29Å; R86-L90 PolarHBondContact O-N 3.29Å
87I95.6Very high93.5Very high0 Ų053.2 Ų53.20%028%0.275CS..Hα-helixtrans-60.4-39.4176.2-67.7160.5000111.6L21 R83 L84 L90 M106 E110 W113 F114L21-I87 HydrophobicContact CD1-CD1 4.35Å; L21-I87 HydrophobicContact CD1-CG1 3.94Å; L21-I87 HydrophobicContact CD2-CD1 4.37Å; L21-I87 HydrophobicContact CD2-CG1 3.77Å; R83-I87 WeakPolarHBondContact O-CD1 3.42Å; R83-I87 VanDerWaalsContact O-CG1 3.29Å; R83-I87 WeakPolarHBondContact O-CG1 3.27Å; R83-I87 PolarHBondContact O-N 3.42Å; L84-I87 PolarHBondContact O-N 3.12Å; I87-L90 WeakPolarHBondContact O-CB 3.48Å; I87-L90 PolarHBondContact O-N 3.01Å; I87-M106 HydrophobicContact CD1-CE 4.03Å; I87-M106 HydrophobicContact CG1-CE 4.12Å; I87-M106 HydrophobicContact CG2-CE 3.72Å; I87-E110 HydrophobicContact CD1-CB 3.75Å; I87-E110 HydrophobicContact CD1-CG 3.72Å; I87-W113 HydrophobicContact CB-CZ3 4.41Å; I87-W113 HydrophobicContact CG2-CE3 4.03Å; I87-W113 HydrophobicContact CG2-CZ3 3.89Å; I87-F114 HydrophobicContact CG2-CB 4.06Å; I87-F114 HydrophobicContact CG2-CD2 3.74Å; I87-F114 HydrophobicContact CG2-CG 4.34Å
88R95.6Very high93.1Very high112 Ų11249.6 Ų49.642%0.42325%0.252SS..Hα-helixtrans-60.8-46.7173.5-169.9178.861.4-176.40.5111.2L84 L85 R86 L90 R91 W92 W113 Y117L84-R88 WeakPolarHBondContact O-CB 3.18Å; L84-R88 PolarHBondContact O-N 3.09Å; L85-R88 VanDerWaalsContact CD2-NH2 3.32Å; L85-R88 WeakPolarHBondContact O-CB 3.42Å; L85-R88 PolarHBondContact O-N 3.46Å; R86-R88 VanDerWaalsContact C-N 3.29Å; R86-R88 PolarHBondContact O-N 2.91Å; R88-L90 VanDerWaalsContact C-N 3.27Å; R88-L90 PolarHBondContact O-N 3.49Å; R88-R91 WeakPolarHBondContact O-CB 3.48Å; R88-R91 PolarHBondContact O-N 2.95Å; R88-R91 VanDerWaalsContact O-N 3.12Å; R88-W92 VanDerWaalsContact O-CD1 3.31Å; R88-W113 HydrophobicContact CB-CH2 3.93Å; R88-W113 HydrophobicContact CB-CZ3 4.39Å; R88-W113 HydrophobicContact CG-CH2 4.33Å; R88-Y117 HydrophobicContact CG-CD1 4.49Å; R88-Y117 HydrophobicContact CG-CE1 3.78Å; R88-Y117 HydrophobicContact CG-CE2 4.18Å
89A93.3Very high92.7Very high33 Ų3349.4 Ų49.427%0.27325%0.247SC..Hα-helixtrans-58.5-39.8178.900000111.8L85 R86 R91 W92 E93L85-A89 PolarHBondContact O-N 3.35Å; R86-A89 WeakPolarHBondContact O-CB 3.43Å; R86-A89 PolarHBondContact O-N 3.3Å; R86-A89 VanDerWaalsContact O-N 3.1Å; A89-R91 PolarHBondContact O-N 3.09Å; A89-R91 VanDerWaalsContact O-N 3.16Å; A89-W92 WeakPolarHBondContact O-CA 3.48Å; A89-W92 WeakPolarHBondContact O-CB 3.46Å; A89-W92 PolarHBondContact O-N 2.81Å; A89-E93 PolarHBondContact O-N 2.96Å
90L92.4Very high92.3Very high5 Ų553.3 Ų53.33%0.02628%0.28CS..Hα-helixtrans-57.5-31.5176.7-67.6169.5000113.5L21 R86 I87 R88 W92 E93 Y94 L98 V102L21-L90 HydrophobicContact CB-CD1 4.27Å; L21-L90 HydrophobicContact CD2-CD1 4.16Å; R86-L90 WeakPolarHBondContact O-CG 3.29Å; R86-L90 PolarHBondContact O-N 3.29Å; I87-L90 WeakPolarHBondContact O-CB 3.48Å; I87-L90 PolarHBondContact O-N 3.01Å; R88-L90 VanDerWaalsContact C-N 3.27Å; R88-L90 PolarHBondContact O-N 3.49Å; L90-W92 VanDerWaalsContact C-N 3.29Å; L90-W92 PolarHBondContact O-N 3.36Å; L90-E93 PolarHBondContact O-N 3.22Å; L90-Y94 HydrophobicContact CD2-CD2 3.68Å; L90-Y94 HydrophobicContact CD2-CE2 3.6Å; L90-Y94 PolarHBondContact O-N 2.92Å; L90-L98 HydrophobicContact CB-CD1 4.48Å; L90-L98 HydrophobicContact CB-CD2 3.9Å; L90-V102 HydrophobicContact CD1-CG1 3.42Å; L90-V102 VanDerWaalsContact CD1-CG1 3.42Å; L90-V102 HydrophobicContact CD2-CG1 4.43Å
91R93.2Very high91.9Very high19 Ų1955.6 Ų55.67%0.07229%0.292CS..Hα-helixtrans-63.4-36.1173.2175.754.8-171.784.4-0.5112R88 A89 G95 F114 Y117 L121R88-R91 WeakPolarHBondContact O-CB 3.48Å; R88-R91 PolarHBondContact O-N 2.95Å; R88-R91 VanDerWaalsContact O-N 3.12Å; A89-R91 PolarHBondContact O-N 3.09Å; A89-R91 VanDerWaalsContact O-N 3.16Å; R91-G95 VanDerWaalsContact CD-O 3.31Å; R91-G95 WeakPolarHBondContact CD-O 3.5Å; R91-G95 VanDerWaalsContact O-CA 3.28Å; R91-G95 WeakPolarHBondContact O-CA 3.36Å; R91-G95 PolarHBondContact O-N 2.75Å; R91-F114 HydrophobicContact CB-CE2 3.73Å; R91-F114 HydrophobicContact CB-CZ 4.28Å; R91-Y117 HydrophobicContact CB-CD1 4.23Å; R91-Y117 HydrophobicContact CB-CE1 3.89Å; R91-Y117 HydrophobicContact CG-CD1 4.19Å; R91-Y117 HydrophobicContact CG-CE1 3.82Å; R91-L121 HydrophobicContact CG-CD2 3.98Å
92W91Very high91.6Very high83 Ų8349.6 Ų49.631%0.31427%0.27SS..Hα-helixtrans-82-28.8-178.5-6889.3000112R88 A89 L90 Y117 L121 V136 T137R88-W92 VanDerWaalsContact O-CD1 3.31Å; A89-W92 WeakPolarHBondContact O-CA 3.48Å; A89-W92 WeakPolarHBondContact O-CB 3.46Å; A89-W92 PolarHBondContact O-N 2.81Å; L90-W92 VanDerWaalsContact C-N 3.29Å; L90-W92 PolarHBondContact O-N 3.36Å; W92-Y117 AromaticContact NE1-CZ 3.99Å; W92-Y117 PolarHBondContact NE1-OH 2.96Å; W92-L121 HydrophobicContact CH2-CD1 4.28Å; W92-L121 HydrophobicContact CZ2-CD1 4.04Å; W92-L121 HydrophobicContact CZ2-CD2 4.16Å; W92-V136 HydrophobicContact CH2-CG2 4.04Å; W92-V136 HydrophobicContact CZ3-CG2 4.41Å; W92-T137 HydrophobicContact CD2-CG2 4.18Å; W92-T137 HydrophobicContact CE3-CG2 3.6Å; W92-T137 HydrophobicContact CH2-CG2 4.03Å; W92-T137 HydrophobicContact CZ3-CG2 3.52Å
93E88.3Confident91.4Very high95 Ų9553.8 Ų53.844%0.44428%0.282SS..Hα-helixtrans-82.9-55.8178.5-68175.5-17300112.8A89 L90 R187A89-E93 PolarHBondContact O-N 2.96Å; L90-E93 PolarHBondContact O-N 3.22Å; E93-R187 WeakPolarHBondContact O-CB 3.49Å
94Y86.1Confident91.4Very high78 Ų7861.9 Ų61.931%0.30632%0.318SS..THydrogen-bonded Turntrans-93.1-25.2-174.4-72.3-79.2000114.1L90 P99L90-Y94 HydrophobicContact CD2-CD2 3.68Å; L90-Y94 HydrophobicContact CD2-CE2 3.6Å; L90-Y94 PolarHBondContact O-N 2.92Å; Y94-P99 HydrophobicContact CD1-CG 3.83Å; Y94-P99 HydrophobicContact CE1-CG 3.9Å; Y94-P99 HydrophobicContact CG-CG 4.4Å
95G87.8Confident91.3Very high17 Ų1762.9 Ų62.918%0.17532%0.321CS..  trans100.5-158.1-175.800000113.9R91 V97R91-G95 VanDerWaalsContact CD-O 3.31Å; R91-G95 WeakPolarHBondContact CD-O 3.5Å; R91-G95 VanDerWaalsContact O-CA 3.28Å; R91-G95 WeakPolarHBondContact O-CA 3.36Å; R91-G95 PolarHBondContact O-N 2.75Å; G95-V97 VanDerWaalsContact C-N 3.3Å; G95-V97 PolarHBondContact O-N 3.29Å
96S87.4Confident91.4Very high66 Ų6661.3 Ų61.346%0.46231%0.312SS..SBendtrans-72.5-20.5-172.7620000114.3
97V87.3Confident91.5Very high100 Ų10060.8 Ų60.861%0.60631%0.313SS*.SBendtrans-115.9117.1179.5-177.80000108.6G95G95-V97 VanDerWaalsContact C-N 3.3Å; G95-V97 PolarHBondContact O-N 3.29Å
98L89.4Confident91.5Very high11 Ų1164.3 Ų64.36%0.05834%0.342CS..  trans-89.4144.8177.1-60-177.2000111L90 V102 R103 M106 F114L90-L98 HydrophobicContact CB-CD1 4.48Å; L90-L98 HydrophobicContact CB-CD2 3.9Å; L98-V102 HydrophobicContact CD1-CG1 4.4Å; L98-R103 HydrophobicContact CB-CG 3.93Å; L98-M106 HydrophobicContact CD1-SD 4.07Å; L98-F114 HydrophobicContact CD1-CD1 4.33Å; L98-F114 HydrophobicContact CD1-CD2 4.08Å; L98-F114 HydrophobicContact CD1-CE1 4.01Å; L98-F114 HydrophobicContact CD1-CE2 3.71Å; L98-F114 HydrophobicContact CD1-CG 4.37Å; L98-F114 HydrophobicContact CD1-CZ 3.69Å; L98-F114 HydrophobicContact CD2-CE2 4.11Å; L98-F114 HydrophobicContact CD2-CZ 3.8Å; L98-F114 HydrophobicContact CG-CE1 3.91Å; L98-F114 HydrophobicContact CG-CE2 4.01Å; L98-F114 HydrophobicContact CG-CZ 3.53Å
99P88.5Confident91.6Very high43 Ų4365 Ų6528%0.27935%0.349SS..  trans-53.9147.4170.5-27.536.6000113.2Y94 N101 V102 R103Y94-P99 HydrophobicContact CD1-CG 3.83Å; Y94-P99 HydrophobicContact CE1-CG 3.9Å; Y94-P99 HydrophobicContact CG-CG 4.4Å; P99-N101 VanDerWaalsContact C-N 3.29Å; P99-N101 WeakPolarHBondContact CB-OD1 3.43Å; P99-N101 PolarHBondContact O-N 3.11Å; P99-V102 HydrophobicContact CB-CG2 4.31Å; P99-V102 PolarHBondContact O-N 2.94Å; P99-V102 VanDerWaalsContact O-N 3.12Å; P99-R103 PolarHBondContact O-N 3.01Å; P99-R103 VanDerWaalsContact O-N 3.13Å
100A89.3Confident91.8Very high83 Ų8363.8 Ų63.869%0.68634%0.338SS*.Hα-helixtrans-60.5-36.7-176.800000113.1V102 R103 F104A100-V102 VanDerWaalsContact C-N 3.31Å; A100-V102 PolarHBondContact O-N 3.32Å; A100-R103 PolarHBondContact O-N 3.43Å; A100-F104 WeakPolarHBondContact O-CB 3.46Å; A100-F104 PolarHBondContact O-N 3.33Å
101N88.6Confident92Very high107 Ų10766.1 Ų66.157%0.57235%0.353SS*.Hα-helixtrans-64.2-33.9177.263-56.6000112.8P99P99-N101 VanDerWaalsContact C-N 3.29Å; P99-N101 WeakPolarHBondContact CB-OD1 3.43Å; P99-N101 PolarHBondContact O-N 3.11Å
102V91.3Very high92.3Very high15 Ų1571 Ų719%0.09138%0.376CS..Hα-helixtrans-73.3-44.8175.8176.60000110L21 L90 L98 P99 A100 F104 H105L21-V102 HydrophobicContact CD2-CG1 4.36Å; L90-V102 HydrophobicContact CD1-CG1 3.42Å; L90-V102 VanDerWaalsContact CD1-CG1 3.42Å; L90-V102 HydrophobicContact CD2-CG1 4.43Å; L98-V102 HydrophobicContact CD1-CG1 4.4Å; P99-V102 HydrophobicContact CB-CG2 4.31Å; P99-V102 PolarHBondContact O-N 2.94Å; P99-V102 VanDerWaalsContact O-N 3.12Å; A100-V102 VanDerWaalsContact C-N 3.31Å; A100-V102 PolarHBondContact O-N 3.32Å; V102-F104 PolarHBondContact O-N 3.36Å; V102-H105 PolarHBondContact O-N 3.39Å; V102-H105 VanDerWaalsContact O-N 3.11Å
103R92.4Very high92.6Very high140 Ų14070.9 Ų70.953%0.52838%0.376SS..Hα-helixtrans-60.9-32.6177.6-69.8179.259.2-176.9-4.7112.9L98 P99 A100 H105 M106L98-R103 HydrophobicContact CB-CG 3.93Å; P99-R103 PolarHBondContact O-N 3.01Å; P99-R103 VanDerWaalsContact O-N 3.13Å; A100-R103 PolarHBondContact O-N 3.43Å; R103-H105 PolarHBondContact O-N 2.9Å; R103-M106 PolarHBondContact O-N 2.91Å
104F94.4Very high93Very high170 Ų17067 Ų6775%0.74636%0.358SS*.Hα-helixtrans-62.9-26.5177.3-176.4-99.8000113.1A100 V102A100-F104 WeakPolarHBondContact O-CB 3.46Å; A100-F104 PolarHBondContact O-N 3.33Å; V102-F104 PolarHBondContact O-N 3.36Å
105H95.4Very high93.6Very high67 Ų6764.1 Ų64.131%0.3135%0.352SS..THydrogen-bonded Turntrans-88.8-1.2178.4-66.3157.3000114.2L21 F24 R83 V102 R103L21-H105 PolarHBondContact O-ND1 3.38Å; F24-H105 PolarHBondContact N-O 3.37Å; F24-H105 VanDerWaalsContact N-O 3.09Å; R83-H105 PolarHBondContact NH2-O 2.95Å; V102-H105 PolarHBondContact O-N 3.39Å; V102-H105 VanDerWaalsContact O-N 3.11Å; R103-H105 PolarHBondContact O-N 2.9Å
106M96.6Very high94.1Very high18 Ų1868.5 Ų68.59%0.08937%0.367CS..SBendtrans-94.9145.5-179-63.4174.370.400111L21 I87 L98 R103 E110 V111 F114L21-M106 HydrophobicContact CD2-CG 3.56Å; L21-M106 HydrophobicContact CD2-SD 4.48Å; I87-M106 HydrophobicContact CD1-CE 4.03Å; I87-M106 HydrophobicContact CG1-CE 4.12Å; I87-M106 HydrophobicContact CG2-CE 3.72Å; L98-M106 HydrophobicContact CD1-SD 4.07Å; R103-M106 PolarHBondContact O-N 2.91Å; M106-E110 WeakPolarHBondContact CA-OE2 3.37Å; M106-E110 HydrophobicContact CB-CB 4.17Å; M106-E110 HydrophobicContact CE-CB 4.03Å; M106-E110 WeakPolarHBondContact CE-O 3.29Å; M106-V111 HydrophobicContact CB-CG2 3.75Å; M106-V111 HydrophobicContact CE-CG2 4.04Å; M106-V111 HydrophobicContact SD-CG2 4.21Å; M106-F114 HydrophobicContact CE-CB 4.07Å
107S97.4Very high94.6Very high15 Ų1567.5 Ų67.511%0.10535%0.354CS..  trans-70.7163.7165.593.60000111.4E109 E110 V111S107-E109 WeakPolarHBondContact CB-OE2 3.45Å; S107-E109 PolarHBondContact O-N 2.76Å; S107-E109 PolarHBondContact OG-N 2.95Å; S107-E109 PolarHBondContact OG-OE2 3.44Å; S107-E110 PolarHBondContact N-OE2 3.34Å; S107-E110 PolarHBondContact O-N 3.15Å; S107-E110 PolarHBondContact OG-N 3.25Å; S107-E110 VanDerWaalsContact OG-N 3.15Å; S107-V111 WeakPolarHBondContact O-CG2 3.34Å; S107-V111 PolarHBondContact O-N 2.72Å
108A96.9Very high94.9Very high74 Ų7466.9 Ų66.961%0.61234%0.343SS*.Hα-helixtrans-60.1-38.2177.100000111.9V111 Q112A108-V111 PolarHBondContact O-N 3.36Å; A108-Q112 PolarHBondContact O-N 3.25Å
109E97.3Very high95.3Very high125 Ų12573.4 Ų73.458%0.58437%0.371SS*.Hα-helixtrans-69.8-39.6178.7-56.270.7-153.600111S107 V111 Q112 W113S107-E109 WeakPolarHBondContact CB-OE2 3.45Å; S107-E109 PolarHBondContact O-N 2.76Å; S107-E109 PolarHBondContact OG-N 2.95Å; S107-E109 PolarHBondContact OG-OE2 3.44Å; E109-V111 VanDerWaalsContact C-N 3.32Å; E109-V111 PolarHBondContact O-N 2.85Å; E109-Q112 WeakPolarHBondContact O-CB 3.48Å; E109-Q112 PolarHBondContact O-N 3.4Å; E109-W113 WeakPolarHBondContact O-CB 3.45Å; E109-W113 PolarHBondContact O-N 3.21Å
110E97.9Very high95.7Very high9 Ų974.6 Ų74.64%0.04238%0.38CS..Hα-helixtrans-62.2-40173.4-75.9-179.715300111.4R83 I87 M106 S107 W113 F114R83-E110 WeakPolarHBondContact CB-OE1 3.41Å; R83-E110 IonicContact CZ-OE1 2.77Å; R83-E110 IonicContact CZ-OE2 3.4Å; R83-E110 IonicContact NE-OE1 3.51Å; R83-E110 PolarHBondContact NE-OE1 3.3Å; R83-E110 IonicContact NE-OE2 3.72Å; R83-E110 IonicContact NH2-OE1 2.76Å; R83-E110 PolarHBondContact NH2-OE1 3.48Å; R83-E110 IonicContact NH2-OE2 2.76Å; R83-E110 PolarHBondContact NH2-OE2 3.33Å; I87-E110 HydrophobicContact CD1-CB 3.75Å; I87-E110 HydrophobicContact CD1-CG 3.72Å; M106-E110 WeakPolarHBondContact CA-OE2 3.37Å; M106-E110 HydrophobicContact CB-CB 4.17Å; M106-E110 HydrophobicContact CE-CB 4.03Å; M106-E110 WeakPolarHBondContact CE-O 3.29Å; S107-E110 PolarHBondContact N-OE2 3.34Å; S107-E110 PolarHBondContact O-N 3.15Å; S107-E110 PolarHBondContact OG-N 3.25Å; S107-E110 VanDerWaalsContact OG-N 3.15Å; E110-W113 PolarHBondContact O-N 2.83Å; E110-F114 WeakPolarHBondContact O-CB 3.38Å; E110-F114 PolarHBondContact O-N 3.26Å
111V96.8Very high96Very high54 Ų5471.3 Ų71.333%0.32735%0.351SS..Hα-helixtrans-65.3-42.3174.9173.40000111M106 S107 A108 E109 F114 G115M106-V111 HydrophobicContact CB-CG2 3.75Å; M106-V111 HydrophobicContact CE-CG2 4.04Å; M106-V111 HydrophobicContact SD-CG2 4.21Å; S107-V111 WeakPolarHBondContact O-CG2 3.34Å; S107-V111 PolarHBondContact O-N 2.72Å; A108-V111 PolarHBondContact O-N 3.36Å; E109-V111 VanDerWaalsContact C-N 3.32Å; E109-V111 PolarHBondContact O-N 2.85Å; V111-F114 PolarHBondContact O-N 2.87Å; V111-G115 PolarHBondContact O-N 3.27Å
112Q97.6Very high96.3Very high122 Ų12267.9 Ų67.957%0.5734%0.338SS*.Hα-helixtrans-62.1-45.5175.3-173.9-173.4-0.200111.2A108 E109 F114 G115 Q116A108-Q112 PolarHBondContact O-N 3.25Å; E109-Q112 WeakPolarHBondContact O-CB 3.48Å; E109-Q112 PolarHBondContact O-N 3.4Å; Q112-F114 PolarHBondContact O-N 3.21Å; Q112-G115 CarbonylContact O-C 3.59Å; Q112-G115 WeakPolarHBondContact O-CA 3.49Å; Q112-G115 PolarHBondContact O-N 3.44Å; Q112-G115 VanDerWaalsContact O-N 3.12Å; Q112-Q116 WeakPolarHBondContact O-CG 3.34Å; Q112-Q116 PolarHBondContact O-N 2.84Å
113W98.1Very high96.5Very high79 Ų7970.5 Ų70.530%0.29936%0.356SS..Hα-helixtrans-58.9-46.9176.7-179.392.5000111.5L84 I87 R88 E109 E110 G115 Q116 Y117L84-W113 HydrophobicContact CD2-CB 4.35Å; L84-W113 HydrophobicContact CD2-CD2 3.55Å; L84-W113 HydrophobicContact CD2-CE3 3.78Å; L84-W113 HydrophobicContact CD2-CG 3.78Å; L84-W113 HydrophobicContact CD2-CZ3 4.38Å; I87-W113 HydrophobicContact CB-CZ3 4.41Å; I87-W113 HydrophobicContact CG2-CE3 4.03Å; I87-W113 HydrophobicContact CG2-CZ3 3.89Å; R88-W113 HydrophobicContact CB-CH2 3.93Å; R88-W113 HydrophobicContact CB-CZ3 4.39Å; R88-W113 HydrophobicContact CG-CH2 4.33Å; E109-W113 WeakPolarHBondContact O-CB 3.45Å; E109-W113 PolarHBondContact O-N 3.21Å; E110-W113 PolarHBondContact O-N 2.83Å; W113-G115 PolarHBondContact O-N 3.02Å; W113-Q116 PolarHBondContact O-N 2.97Å; W113-Y117 HydrophobicContact CH2-CD1 4.47Å; W113-Y117 HydrophobicContact CH2-CD2 4.3Å; W113-Y117 HydrophobicContact CH2-CG 4.04Å; W113-Y117 HydrophobicContact CZ3-CG 4.33Å; W113-Y117 PolarHBondContact O-N 2.93Å
114F97.7Very high96.7Very high15 Ų1568.9 Ų68.97%0.06635%0.354CS..Hα-helixtrans-58.6-40.1175.2-178.8-96.1000111.5I87 R91 L98 M106 E110 V111 Q112 Q116 Y117 K118I87-F114 HydrophobicContact CG2-CB 4.06Å; I87-F114 HydrophobicContact CG2-CD2 3.74Å; I87-F114 HydrophobicContact CG2-CG 4.34Å; R91-F114 HydrophobicContact CB-CE2 3.73Å; R91-F114 HydrophobicContact CB-CZ 4.28Å; L98-F114 HydrophobicContact CD1-CD1 4.33Å; L98-F114 HydrophobicContact CD1-CD2 4.08Å; L98-F114 HydrophobicContact CD1-CE1 4.01Å; L98-F114 HydrophobicContact CD1-CE2 3.71Å; L98-F114 HydrophobicContact CD1-CG 4.37Å; L98-F114 HydrophobicContact CD1-CZ 3.69Å; L98-F114 HydrophobicContact CD2-CE2 4.11Å; L98-F114 HydrophobicContact CD2-CZ 3.8Å; L98-F114 HydrophobicContact CG-CE1 3.91Å; L98-F114 HydrophobicContact CG-CE2 4.01Å; L98-F114 HydrophobicContact CG-CZ 3.53Å; M106-F114 HydrophobicContact CE-CB 4.07Å; E110-F114 WeakPolarHBondContact O-CB 3.38Å; E110-F114 PolarHBondContact O-N 3.26Å; V111-F114 PolarHBondContact O-N 2.87Å; Q112-F114 PolarHBondContact O-N 3.21Å; F114-Q116 VanDerWaalsContact C-N 3.31Å; F114-Q116 PolarHBondContact O-N 3.39Å; F114-Y117 PolarHBondContact O-N 3.33Å; F114-K118 HydrophobicContact CD1-CD 4.47Å; F114-K118 HydrophobicContact CE1-CD 4.28Å; F114-K118 WeakPolarHBondContact O-CG 3.2Å; F114-K118 PolarHBondContact O-N 3.18Å
115G97.3Very high96.7Very high17 Ų1761.6 Ų61.618%0.17532%0.322CS..Hα-helixtrans-61.2-34.1174.500000114.1V111 Q112 W113 K118 K119V111-G115 PolarHBondContact O-N 3.27Å; Q112-G115 CarbonylContact O-C 3.59Å; Q112-G115 WeakPolarHBondContact O-CA 3.49Å; Q112-G115 PolarHBondContact O-N 3.44Å; Q112-G115 VanDerWaalsContact O-N 3.12Å; W113-G115 PolarHBondContact O-N 3.02Å; G115-K118 WeakPolarHBondContact O-CG 3.26Å; G115-K119 WeakPolarHBondContact O-CD 3.39Å; G115-K119 VanDerWaalsContact O-CG 3.27Å; G115-K119 WeakPolarHBondContact O-CG 3.42Å
116Q98Very high96.6Very high109 Ų10966.9 Ų66.951%0.50934%0.339SS..Hα-helixtrans-77.7-45.1175-66.117422.900111.3Q112 W113 F114 K118 K119 S120Q112-Q116 WeakPolarHBondContact O-CG 3.34Å; Q112-Q116 PolarHBondContact O-N 2.84Å; W113-Q116 PolarHBondContact O-N 2.97Å; F114-Q116 VanDerWaalsContact C-N 3.31Å; F114-Q116 PolarHBondContact O-N 3.39Å; Q116-K118 PolarHBondContact O-N 3.38Å; Q116-K119 WeakPolarHBondContact O-CB 3.35Å; Q116-K119 PolarHBondContact O-N 3.37Å; Q116-K119 VanDerWaalsContact O-N 3.12Å; Q116-S120 PolarHBondContact O-N 3.48Å
117Y97.8Very high96.6Very high45 Ų4570.2 Ų70.218%0.17637%0.365CS..Hα-helixtrans-59-43.9178178.8-108.9000112.4R88 R91 W92 W113 F114 K119 S120 L121R88-Y117 HydrophobicContact CG-CD1 4.49Å; R88-Y117 HydrophobicContact CG-CE1 3.78Å; R88-Y117 HydrophobicContact CG-CE2 4.18Å; R91-Y117 HydrophobicContact CB-CD1 4.23Å; R91-Y117 HydrophobicContact CB-CE1 3.89Å; R91-Y117 HydrophobicContact CG-CD1 4.19Å; R91-Y117 HydrophobicContact CG-CE1 3.82Å; W92-Y117 AromaticContact NE1-CZ 3.99Å; W92-Y117 PolarHBondContact NE1-OH 2.96Å; W113-Y117 HydrophobicContact CH2-CD1 4.47Å; W113-Y117 HydrophobicContact CH2-CD2 4.3Å; W113-Y117 HydrophobicContact CH2-CG 4.04Å; W113-Y117 HydrophobicContact CZ3-CG 4.33Å; W113-Y117 PolarHBondContact O-N 2.93Å; F114-Y117 PolarHBondContact O-N 3.33Å; Y117-K119 VanDerWaalsContact C-N 3.28Å; Y117-K119 PolarHBondContact O-N 3Å; Y117-S120 PolarHBondContact O-N 3.44Å; Y117-S120 PolarHBondContact O-OG 3.21Å; Y117-L121 HydrophobicContact CE1-CD2 4.48Å; Y117-L121 WeakPolarHBondContact O-CB 3.46Å; Y117-L121 PolarHBondContact O-N 3.4Å
118K95Very high96.4Very high86 Ų8671.8 Ų71.837%0.37437%0.371SS..Hα-helixtrans-63.9-34.1177.374.7-178.8-172.7178.30112.5F114 G115 Q116 A122F114-K118 HydrophobicContact CD1-CD 4.47Å; F114-K118 HydrophobicContact CE1-CD 4.28Å; F114-K118 WeakPolarHBondContact O-CG 3.2Å; F114-K118 PolarHBondContact O-N 3.18Å; G115-K118 WeakPolarHBondContact O-CG 3.26Å; Q116-K118 PolarHBondContact O-N 3.38Å; K118-A122 WeakPolarHBondContact O-CB 3.48Å; K118-A122 PolarHBondContact O-N 3.15Å
119K96.8Very high95.9Very high149 Ų14970.8 Ų70.865%0.64837%0.368SS*.Hα-helixtrans-71-43.2177.9-74.4174.7-177.4-177.30111.1G115 Q116 Y117 A122 S123G115-K119 WeakPolarHBondContact O-CD 3.39Å; G115-K119 VanDerWaalsContact O-CG 3.27Å; G115-K119 WeakPolarHBondContact O-CG 3.42Å; Q116-K119 WeakPolarHBondContact O-CB 3.35Å; Q116-K119 PolarHBondContact O-N 3.37Å; Q116-K119 VanDerWaalsContact O-N 3.12Å; Y117-K119 VanDerWaalsContact C-N 3.28Å; Y117-K119 PolarHBondContact O-N 3Å; K119-A122 PolarHBondContact O-N 3.28Å; K119-S123 PolarHBondContact O-N 3.38Å
120S97.3Very high95.6Very high68 Ų6867.9 Ų67.948%0.47637%0.372SS..Hα-helixtrans-65.2-42.4177.163.20000111.4Q116 Y117 A122 S123 F124Q116-S120 PolarHBondContact O-N 3.48Å; Y117-S120 PolarHBondContact O-N 3.44Å; Y117-S120 PolarHBondContact O-OG 3.21Å; S120-A122 PolarHBondContact O-N 3.43Å; S120-S123 WeakPolarHBondContact O-CB 3.17Å; S120-S123 PolarHBondContact O-N 3.2Å; S120-F124 PolarHBondContact O-N 3.13Å
121L96.2Very high94.9Very high13 Ų1377.4 Ų77.47%0.06842%0.416CS..Hα-helixtrans-61.1-44.9174.8-177.159.8000111.9R91 W92 Y117 S123 F124 M125 T137R91-L121 HydrophobicContact CG-CD2 3.98Å; W92-L121 HydrophobicContact CH2-CD1 4.28Å; W92-L121 HydrophobicContact CZ2-CD1 4.04Å; W92-L121 HydrophobicContact CZ2-CD2 4.16Å; Y117-L121 HydrophobicContact CE1-CD2 4.48Å; Y117-L121 WeakPolarHBondContact O-CB 3.46Å; Y117-L121 PolarHBondContact O-N 3.4Å; L121-S123 VanDerWaalsContact C-N 3.29Å; L121-S123 PolarHBondContact O-N 2.9Å; L121-F124 WeakPolarHBondContact O-CB 3.37Å; L121-F124 PolarHBondContact O-N 3.4Å; L121-M125 HydrophobicContact CD1-CE 4.04Å; L121-M125 HydrophobicContact CD2-CE 4.04Å; L121-M125 HydrophobicContact CG-CE 3.79Å; L121-M125 HydrophobicContact CG-SD 4.12Å; L121-M125 WeakPolarHBondContact O-CG 3.42Å; L121-M125 PolarHBondContact O-N 3.37Å; L121-T137 HydrophobicContact CD2-CG2 4.07Å
122A94.1Very high94.3Very high36 Ų3684 Ų8430%0.29844%0.444SS..Hα-helixtrans-64.4-33.1175.500000112.8K118 K119 S120 R126K118-A122 WeakPolarHBondContact O-CB 3.48Å; K118-A122 PolarHBondContact O-N 3.15Å; K119-A122 PolarHBondContact O-N 3.28Å; S120-A122 PolarHBondContact O-N 3.43Å; A122-R126 WeakPolarHBondContact O-CG 3.28Å; A122-R126 PolarHBondContact O-N 2.95Å; A122-R126 PolarHBondContact O-NE 3.21Å
123S95.9Very high93.9Very high69 Ų6979.3 Ų79.348%0.48343%0.428SS..Hα-helixtrans-65.1-43.5172.3-164.80000111.5K119 S120 L121 R126 S127K119-S123 PolarHBondContact O-N 3.38Å; S120-S123 WeakPolarHBondContact O-CB 3.17Å; S120-S123 PolarHBondContact O-N 3.2Å; L121-S123 VanDerWaalsContact C-N 3.29Å; L121-S123 PolarHBondContact O-N 2.9Å; S123-R126 PolarHBondContact O-N 3.49Å; S123-S127 PolarHBondContact O-N 2.98Å
124F95.8Very high93.6Very high107 Ų10780.2 Ų80.247%0.46944%0.438SS..Hα-helixtrans-63.2-46.7177173.6-106.4000111.7S120 L121 R126 S127 I128 V136S120-F124 PolarHBondContact O-N 3.13Å; L121-F124 WeakPolarHBondContact O-CB 3.37Å; L121-F124 PolarHBondContact O-N 3.4Å; F124-R126 PolarHBondContact O-N 3.12Å; F124-S127 PolarHBondContact O-N 3.06Å; F124-S127 PolarHBondContact O-OG 2.86Å; F124-I128 HydrophobicContact CD1-CD1 4.48Å; F124-I128 HydrophobicContact CE1-CD1 3.93Å; F124-I128 HydrophobicContact CE2-CG2 4.18Å; F124-I128 HydrophobicContact CZ-CD1 4.15Å; F124-I128 HydrophobicContact CZ-CG2 4.3Å; F124-I128 WeakPolarHBondContact O-CG1 3.29Å; F124-I128 PolarHBondContact O-N 2.95Å; F124-V136 HydrophobicContact CE1-CG2 4.49Å
125M94.9Very high93.2Very high17 Ų1782.1 Ų82.18%0.08445%0.449CS..Hα-helixtrans-57-35.7176.7-72.2164.9164.700113L121 I128 G133 L134 D135 V136 T137L121-M125 HydrophobicContact CD1-CE 4.04Å; L121-M125 HydrophobicContact CD2-CE 4.04Å; L121-M125 HydrophobicContact CG-CE 3.79Å; L121-M125 HydrophobicContact CG-SD 4.12Å; L121-M125 WeakPolarHBondContact O-CG 3.42Å; L121-M125 PolarHBondContact O-N 3.37Å; M125-I128 WeakPolarHBondContact O-CG1 3.41Å; M125-G133 CarbonylContact O-C 3.59Å; M125-G133 WeakPolarHBondContact O-CA 3.42Å; M125-L134 WeakPolarHBondContact CA-O 3.3Å; M125-L134 WeakPolarHBondContact CB-O 3.24Å; M125-L134 WeakPolarHBondContact CG-O 3.3Å; M125-L134 PolarHBondContact O-N 3.29Å; M125-D135 WeakPolarHBondContact CE-OD1 3.36Å; M125-V136 HydrophobicContact CE-CG2 3.64Å; M125-V136 HydrophobicContact CG-CG2 4.08Å; M125-T137 HydrophobicContact CE-CG2 3.27Å
126R94.3Very high92.9Very high177 Ų17783.6 Ų83.667%0.66845%0.454SS*.Hα-helixtrans-76.7-20.6176.7-73.2-177.9-68.1-164.24.4114A122 S123 F124 I128A122-R126 WeakPolarHBondContact O-CG 3.28Å; A122-R126 PolarHBondContact O-N 2.95Å; A122-R126 PolarHBondContact O-NE 3.21Å; S123-R126 PolarHBondContact O-N 3.49Å; F124-R126 PolarHBondContact O-N 3.12Å; R126-I128 VanDerWaalsContact C-N 3.34Å
127S95.2Very high92.4Very high89 Ų8978.7 Ų78.762%0.62243%0.432SS*.Hα-helixtrans-85.5-9.8-17971.30000113.5S123 F124S123-S127 PolarHBondContact O-N 2.98Å; F124-S127 PolarHBondContact O-N 3.06Å; F124-S127 PolarHBondContact O-OG 2.86Å
128I94.8Very high91.7Very high47 Ų4778.7 Ų78.724%0.24143%0.433CS..SBendtrans-115.7160.4178.758.3170.4000109F124 M125 R126 G133 L134 V136F124-I128 HydrophobicContact CD1-CD1 4.48Å; F124-I128 HydrophobicContact CE1-CD1 3.93Å; F124-I128 HydrophobicContact CE2-CG2 4.18Å; F124-I128 HydrophobicContact CZ-CD1 4.15Å; F124-I128 HydrophobicContact CZ-CG2 4.3Å; F124-I128 WeakPolarHBondContact O-CG1 3.29Å; F124-I128 PolarHBondContact O-N 2.95Å; M125-I128 WeakPolarHBondContact O-CG1 3.41Å; R126-I128 VanDerWaalsContact C-N 3.34Å; I128-G133 CarbonylContact O-C 3.53Å; I128-G133 VanDerWaalsContact O-C 3.24Å; I128-G133 WeakPolarHBondContact O-CA 3.42Å; I128-L134 HydrophobicContact CD1-CB 3.99Å; I128-L134 HydrophobicContact CD1-CD2 4.21Å; I128-L134 HydrophobicContact CD1-CG 4.45Å; I128-L134 HydrophobicContact CG1-CB 3.95Å; I128-L134 PolarHBondContact O-N 3.18Å; I128-V136 HydrophobicContact CD1-CG1 3.63Å
129G86.1Confident91.1Very high54 Ų5479.1 Ų79.156%0.55744%0.44SS*.SBendtrans80.215.7177.300000115.5
130G89.6Confident90.3Very high64 Ų6478 Ų7866%0.6644%0.438SS*.THydrogen-bonded Turntrans74.7-136.3175.200000112.9
131Q83.2Confident89.5Confident208 Ų20881.9 Ų81.997%0.97245%0.447SS*.THydrogen-bonded Turntrans-74.8-24.2-174.4-68.6-171.6-17.800113.8
132E84Confident89Confident194 Ų19486.5 Ų86.591%0.90748%0.477SS*.SBendtrans-96.5-12.9-175.2-64.7-168.8159.100113.9
133G90.9Very high88.5Confident22 Ų2289.4 Ų89.423%0.22749%0.493CS..  trans81.2174.1-171.500000112.7M125 I128M125-G133 CarbonylContact O-C 3.59Å; M125-G133 WeakPolarHBondContact O-CA 3.42Å; I128-G133 CarbonylContact O-C 3.53Å; I128-G133 VanDerWaalsContact O-C 3.24Å; I128-G133 WeakPolarHBondContact O-CA 3.42Å
134L91.1Very high88Confident99 Ų9995.3 Ų95.352%0.51851%0.51SS..  trans-135.5118.9168179.166.8000110.5M125 I128 V136M125-L134 WeakPolarHBondContact CA-O 3.3Å; M125-L134 WeakPolarHBondContact CB-O 3.24Å; M125-L134 WeakPolarHBondContact CG-O 3.3Å; M125-L134 PolarHBondContact O-N 3.29Å; I128-L134 HydrophobicContact CD1-CB 3.99Å; I128-L134 HydrophobicContact CD1-CD2 4.21Å; I128-L134 HydrophobicContact CD1-CG 4.45Å; I128-L134 HydrophobicContact CG1-CB 3.95Å; I128-L134 PolarHBondContact O-N 3.18Å; L134-V136 HydrophobicContact CD2-CG1 4.21Å; L134-V136 HydrophobicContact CG-CG1 4.24Å; L134-V136 PolarHBondContact O-N 3.45Å; L134-V136 VanDerWaalsContact O-N 3.1Å
135D89.4Confident87.6Confident54 Ų5493.4 Ų93.429%0.28951%0.51SS..  trans-8089.3173.9-173.4-3.8000111.1M125 T137 Q138M125-D135 WeakPolarHBondContact CE-OD1 3.36Å; D135-T137 PolarHBondContact O-N 3.28Å; D135-T137 VanDerWaalsContact O-N 3.08Å; D135-T137 WeakPolarHBondContact OD1-CB 3.38Å; D135-T137 PolarHBondContact OD1-N 3.08Å; D135-T137 PolarHBondContact OD1-OG1 3.46Å; D135-Q138 HydrophobicContact CB-CG 4.32Å; D135-Q138 PolarHBondContact O-N 3.02Å; D135-Q138 VanDerWaalsContact O-N 3.17Å; D135-Q138 WeakPolarHBondContact OD2-CG 3.22Å; D135-Q138 PolarHBondContact OD2-NE2 3.3Å
136V90.3Very high87.3Confident48 Ų4899.6 Ų99.629%0.29154%0.543SS..THydrogen-bonded Turntrans-67.7-3.1177.1-60.50000114.4W92 F124 M125 I128 L134 Q138W92-V136 HydrophobicContact CH2-CG2 4.04Å; W92-V136 HydrophobicContact CZ3-CG2 4.41Å; F124-V136 HydrophobicContact CE1-CG2 4.49Å; M125-V136 HydrophobicContact CE-CG2 3.64Å; M125-V136 HydrophobicContact CG-CG2 4.08Å; I128-V136 HydrophobicContact CD1-CG1 3.63Å; L134-V136 HydrophobicContact CD2-CG1 4.21Å; L134-V136 HydrophobicContact CG-CG1 4.24Å; L134-V136 PolarHBondContact O-N 3.45Å; L134-V136 VanDerWaalsContact O-N 3.1Å; V136-Q138 VanDerWaalsContact C-N 3.35Å
137T88.2Confident87.1Confident7 Ų796.9 Ų96.94%0.04353%0.534CS..THydrogen-bonded Turntrans-87.4-6.3173.760.50000112.6W92 L121 M125 D135 R187W92-T137 HydrophobicContact CD2-CG2 4.18Å; W92-T137 HydrophobicContact CE3-CG2 3.6Å; W92-T137 HydrophobicContact CH2-CG2 4.03Å; W92-T137 HydrophobicContact CZ3-CG2 3.52Å; L121-T137 HydrophobicContact CD2-CG2 4.07Å; M125-T137 HydrophobicContact CE-CG2 3.27Å; D135-T137 PolarHBondContact O-N 3.28Å; D135-T137 VanDerWaalsContact O-N 3.08Å; D135-T137 WeakPolarHBondContact OD1-CB 3.38Å; D135-T137 PolarHBondContact OD1-N 3.08Å; D135-T137 PolarHBondContact OD1-OG1 3.46Å; T137-R187 VanDerWaalsContact O-CZ 3.32Å; T137-R187 PolarHBondContact O-NH1 3.44Å; T137-R187 PolarHBondContact O-NH2 3.03Å; T137-R187 VanDerWaalsContact O-NH2 3.09Å
138Q83.3Confident86.9Confident45 Ų4593 Ų9321%0.2151%0.506CS..SBendtrans-92.2170.9175.8-61.5-17220.400112.1D135 V136 M140D135-Q138 HydrophobicContact CB-CG 4.32Å; D135-Q138 PolarHBondContact O-N 3.02Å; D135-Q138 VanDerWaalsContact O-N 3.17Å; D135-Q138 WeakPolarHBondContact OD2-CG 3.22Å; D135-Q138 PolarHBondContact OD2-NE2 3.3Å; V136-Q138 VanDerWaalsContact C-N 3.35Å; Q138-M140 PolarHBondContact O-N 3.46Å
139D80.9Confident86.8Confident95 Ų9594.4 Ų94.451%0.50851%0.511SS..  trans60.736168.7-54.9-49.9000115.7K141 E183D139-K141 PolarHBondContact O-N 3.47Å; D139-E183 PolarHBondContact N-OE2 3.15Å
140M80.6Confident87.1Confident124 Ų12491.9 Ų91.961%0.61149%0.485SS*.  trans-63-12.2178.4-62.5-64.8-7300113.8Q138Q138-M140 PolarHBondContact O-N 3.46Å
141K81.1Confident87.3Confident150 Ų15093.1 Ų93.165%0.65247%0.47SS*.SBendtrans-129.7141.9177.2-66.4-178.2-178.51770108.9D139D139-K141 PolarHBondContact O-N 3.47Å
142P85.7Confident87.9Confident110 Ų11083.2 Ų83.271%0.71442%0.423SS*.  trans-52.7131.7176.4-26.634.1000111.9K144P142-K144 PolarHBondContact O-N 3.23Å
143P83.1Confident88.2Confident98 Ų9877.1 Ų77.164%0.63640%0.397SS*.  trans-68.6126.3179.826.9-33.1000110
144K86Confident88.2Confident192 Ų19282.3 Ų82.384%0.83541%0.413SS*.  trans-94.6-27.5175.3-63.6-172.5179.3-1750112.9P142P142-K144 PolarHBondContact O-N 3.23Å
145S86.9Confident88.1Confident67 Ų6783.2 Ų83.247%0.46942%0.418SS..  trans-155.5147.5-174.4-50.30000109.7Y147S145-Y147 WeakPolarHBondContact CB-O 3.36Å
146L88.1Confident87.9Confident148 Ų14884.5 Ų84.578%0.77542%0.423SS*.SBendtrans-72.3-37.3179-67.5172.7000112.3R179L146-R179 PolarHBondContact O-N 2.89Å
147Y89.7Confident87.9Confident120 Ų12083.6 Ų83.647%0.47142%0.423SS..EExtended strand (participates in β ladder)trans-115.4150.5176.2-72.9-104000110.1S145 F176 L177 P178S145-Y147 WeakPolarHBondContact CB-O 3.36Å; Y147-F176 HydrophobicContact CD1-CD1 4.05Å; Y147-F176 AromaticContact CD1-CE1 3.9Å; Y147-F176 HydrophobicContact CD1-CE1 3.9Å; Y147-F176 HydrophobicContact CG-CD1 4.39Å; Y147-F176 AromaticContact CG-CE1 3.79Å; Y147-F176 HydrophobicContact CG-CE1 3.79Å; Y147-F176 HydrophobicContact CG-CZ 4.14Å; Y147-L177 WeakPolarHBondContact CA-O 3.41Å; Y147-P178 HydrophobicContact CD1-CG 4.23Å; Y147-P178 HydrophobicContact CE1-CB 4.39Å; Y147-P178 HydrophobicContact CE1-CG 3.67Å
148I91.1Very high87.9Confident7 Ų790.8 Ų90.84%0.03646%0.456CS..EExtended strand (participates in β ladder)trans-136.9150.7177.757.2167.2000110.7V150 L177 R179 C182 I186I148-V150 HydrophobicContact CD1-CG1 3.61Å; I148-V150 HydrophobicContact CG1-CG1 3.9Å; I148-L177 PolarHBondContact N-O 3.23Å; I148-L177 PolarHBondContact O-N 3.43Å; I148-R179 HydrophobicContact CD1-CB 4.42Å; I148-R179 HydrophobicContact CD1-CG 4.2Å; I148-R179 HydrophobicContact CG1-CB 4.25Å; I148-R179 HydrophobicContact CG2-CB 4.17Å; I148-R179 HydrophobicContact CG2-CG 4.27Å; I148-C182 HydrophobicContact CD1-CB 3.87Å; I148-C182 HydrophobicContact CG1-CB 4.45Å; I148-I186 HydrophobicContact CD1-CD1 3.7Å
149Q93.4Very high88.1Confident77 Ų7790 Ų9036%0.3645%0.452SS..EExtended strand (participates in β ladder)trans-87.8123.1170.2-171.21700.400109.3H175 F176 H193 V194Q149-H175 WeakPolarHBondContact CA-O 3.42Å; Q149-F176 HydrophobicContact CB-CD2 4.27Å; Q149-H193 PolarHBondContact O-CD2 2.79Å; Q149-V194 HydrophobicContact CG-CB 4.42Å; Q149-V194 PolarHBondContact O-N 2.86Å
150V93Very high88.3Confident0 Ų091.6 Ų91.60%046%0.456CS..EExtended strand (participates in β ladder)trans-121146.2-178.3-68.30000110.9I148 Q174 H175 L177 C182 I186 L191 E192I148-V150 HydrophobicContact CD1-CG1 3.61Å; I148-V150 HydrophobicContact CG1-CG1 3.9Å; V150-Q174 CarbonylContact O-C 3.57Å; V150-Q174 VanDerWaalsContact O-CA 3.23Å; V150-Q174 WeakPolarHBondContact O-CA 3.12Å; V150-H175 HydrophobicContact CG2-CB 4.24Å; V150-H175 WeakPolarHBondContact CG2-O 3.41Å; V150-H175 PolarHBondContact N-O 2.76Å; V150-H175 PolarHBondContact O-N 3.08Å; V150-L177 HydrophobicContact CG2-CD1 4.03Å; V150-L177 HydrophobicContact CG2-CG 4.39Å; V150-C182 HydrophobicContact CG1-CB 4.19Å; V150-I186 HydrophobicContact CG1-CD1 4.17Å; V150-L191 HydrophobicContact CB-CB 4.35Å; V150-L191 HydrophobicContact CB-CD1 4.34Å; V150-L191 HydrophobicContact CG2-CD1 4.11Å; V150-L191 HydrophobicContact CG2-CD2 4.38Å; V150-E192 CarbonylContact C-O 3.51Å; V150-E192 VanDerWaalsContact CA-O 3.24Å; V150-E192 WeakPolarHBondContact CA-O 3.33Å
151R94.1Very high88.5Confident90 Ų9086.9 Ų86.934%0.3443%0.433SS..EExtended strand (participates in β ladder)trans-111.4133.4172.3-179.2-178-65.2168.1-0.3109.8S173 Q174 L191 E192 V194R151-S173 WeakPolarHBondContact CA-O 3.19Å; R151-Q174 HydrophobicContact CB-CG 4.21Å; R151-Q174 HydrophobicContact CG-CG 4.29Å; R151-L191 CarbonylContact O-C 3.24Å; R151-L191 WeakPolarHBondContact O-CA 3.25Å; R151-E192 PolarHBondContact N-O 2.89Å; R151-E192 PolarHBondContact O-N 2.97Å; R151-V194 HydrophobicContact CB-CG2 3.79Å
152C94.2Very high88.3Confident0 Ų085.4 Ų85.40%043%0.433CS..EExtended strand (participates in β ladder)trans-77.3125.4173.5-59.10000110.6K170 N172 S173 L191C152-K170 WeakPolarHBondContact CB-O 3.32Å; C152-N172 WeakPolarHBondContact O-CA 3.16Å; C152-N172 PolarHBondContact O-N 3.21Å; C152-S173 PolarHBondContact N-O 3.29Å; C152-S173 PolarHBondContact SG-OG 2.74Å; C152-L191 HydrophobicContact CB-CD2 4.28Å; C152-L191 VanDerWaalsContact SG-CD2 3.52Å
153L91.9Very high88.2Confident66 Ų6685.7 Ų85.735%0.34643%0.428SS..SBendtrans-88-22.7176.7-62.1-179.9000112.5V190 E192L153-V190 PolarHBondContact N-O 3.33Å; L153-E192 HydrophobicContact CD1-CB 4.14Å; L153-E192 HydrophobicContact CD2-CB 4.04Å; L153-E192 HydrophobicContact CG-CB 4.08Å
154K89.8Confident88.2Confident131 Ų13183 Ų8357%0.5742%0.419SS*.SBendtrans-144.6159-176.5-56.7177.1-172.7169.30109.5H156K154-H156 PolarHBondContact O-N 2.9Å
155D90.1Very high88.2Confident118 Ų11877.2 Ų77.263%0.63140%0.399SS*.  trans-69.5122.9171-62.3-45.2000109.2K170 K171D155-K170 WeakPolarHBondContact OD1-CA 3.35Å; D155-K171 PolarHBondContact OD1-N 3.39Å
156H85.3Confident88.3Confident82 Ų8277.5 Ų77.538%0.3840%0.398SS..  trans-113.9-17.2-180-168.873.8000112.5K154 L169 L185 V190K154-H156 PolarHBondContact O-N 2.9Å; H156-L169 HydrophobicContact CB-CB 3.97Å; H156-L169 HydrophobicContact CB-CD1 4.2Å; H156-L169 PolarHBondContact N-O 3.35Å; H156-L185 WeakPolarHBondContact NE2-CD2 3.39Å; H156-V190 HydrophobicContact CB-CG1 3.66Å
157G88.4Confident88.4Confident29 Ų2972 Ų7230%0.29937%0.369SS..EExtended strand (participates in β ladder)trans89.6-150.3-178.300000112.3L169G157-L169 PolarHBondContact O-N 2.95Å
158E89.2Confident88.4Confident157 Ų15770.4 Ų70.473%0.73437%0.368SS*.EExtended strand (participates in β ladder)trans-76.1131.2-178-72176.7-171.200111.1V166 L168E158-V166 HydrophobicContact CB-CG1 3.61Å; E158-V166 HydrophobicContact CG-CG1 3.8Å; E158-L168 HydrophobicContact CG-CD1 4.26Å
159F86.4Confident88.4Confident29 Ų2970.1 Ų70.113%0.12737%0.367CS..EExtended strand (participates in β ladder)trans-125.1117.5179.3-177.2-104.6000109.5I161 I167 L169 K181 L185F159-I161 HydrophobicContact CE1-CG1 4.5Å; F159-I167 PolarHBondContact N-O 3.1Å; F159-I167 PolarHBondContact O-N 3.5Å; F159-L169 HydrophobicContact CB-CD1 3.67Å; F159-L169 HydrophobicContact CB-CG 3.84Å; F159-L169 HydrophobicContact CD2-CD1 4.32Å; F159-L169 HydrophobicContact CG-CD1 3.93Å; F159-K181 HydrophobicContact CE1-CB 4.38Å; F159-K181 HydrophobicContact CZ-CB 4.08Å; F159-K181 HydrophobicContact CZ-CD 4.46Å; F159-L185 HydrophobicContact CD2-CD1 3.79Å; F159-L185 HydrophobicContact CE2-CD1 3.53Å; F159-L185 HydrophobicContact CE2-CG 4.45Å; F159-L185 HydrophobicContact CZ-CD1 4.08Å
160E86.6Confident88.4Confident129 Ų12972.4 Ų72.460%0.60338%0.376SS*.EExtended strand (participates in β ladder)trans-96132.6-176.6-170.7176.6-177.100111.5V166E160-V166 HydrophobicContact CB-CG2 4.42Å; E160-V166 HydrophobicContact CG-CG2 4.3Å
161I83.6Confident88.4Confident24 Ų2478.2 Ų78.212%0.12340%0.401CS..  trans-93.4158.5170.7-56.6173.6000108.7F159 D163 G164 T165 I167 L177F159-I161 HydrophobicContact CE1-CG1 4.5Å; I161-D163 WeakPolarHBondContact CB-OD1 3.26Å; I161-D163 PolarHBondContact O-N 3.31Å; I161-G164 WeakPolarHBondContact O-CA 3.47Å; I161-G164 PolarHBondContact O-N 3Å; I161-T165 PolarHBondContact N-O 3.13Å; I161-I167 HydrophobicContact CD1-CD1 3.53Å; I161-I167 HydrophobicContact CD1-CG1 4.39Å; I161-I167 HydrophobicContact CG1-CD1 4.37Å; I161-L177 HydrophobicContact CD1-CD2 3.95Å
162D78.6Confident88.3Confident119 Ų11979.2 Ų79.264%0.63641%0.413SS*.THydrogen-bonded Turntrans-56.9-21.6-180-71.38000115G164 W180 K181D162-G164 PolarHBondContact O-N 2.98Å; D162-W180 WeakPolarHBondContact OD2-CH2 3.5Å; D162-K181 WeakPolarHBondContact OD1-CE 3.46Å; D162-K181 IonicContact OD1-NZ 3.13Å; D162-K181 PolarHBondContact OD1-NZ 3.2Å
163D81.9Confident88.3Confident117 Ų11780.7 Ų80.763%0.62642%0.423SS*.THydrogen-bonded Turntrans-802.4174.964.66.7000113.1I161 T165I161-D163 WeakPolarHBondContact CB-OD1 3.26Å; I161-D163 PolarHBondContact O-N 3.31Å; D163-T165 VanDerWaalsContact C-N 3.29Å; D163-T165 WeakPolarHBondContact OD1-CB 3.37Å; D163-T165 PolarHBondContact OD1-N 3.29Å; D163-T165 PolarHBondContact OD1-OG1 3.1Å; D163-T165 PolarHBondContact OD2-OG1 3.37Å
164G84.1Confident88.4Confident42 Ų4281.9 Ų81.943%0.43343%0.427SS..SBendtrans814.2-176.600000113.7I161 D162 V166I161-G164 WeakPolarHBondContact O-CA 3.47Å; I161-G164 PolarHBondContact O-N 3Å; D162-G164 PolarHBondContact O-N 2.98Å; G164-V166 PolarHBondContact O-N 2.92Å
165T86.8Confident88.5Confident69 Ų6977.5 Ų77.542%0.42341%0.408SS..  trans-73.2122.5176.6-53.30000110I161 D163 I167I161-T165 PolarHBondContact N-O 3.13Å; D163-T165 VanDerWaalsContact C-N 3.29Å; D163-T165 WeakPolarHBondContact OD1-CB 3.37Å; D163-T165 PolarHBondContact OD1-N 3.29Å; D163-T165 PolarHBondContact OD1-OG1 3.1Å; D163-T165 PolarHBondContact OD2-OG1 3.37Å; T165-I167 HydrophobicContact CG2-CG1 4.25Å
166V88.9Confident88.6Confident74 Ų7478.4 Ų78.445%0.44841%0.407SS..EExtended strand (participates in β ladder)trans-97.5124.3175.7-176.70000110E158 E160 G164E158-V166 HydrophobicContact CB-CG1 3.61Å; E158-V166 HydrophobicContact CG-CG1 3.8Å; E160-V166 HydrophobicContact CB-CG2 4.42Å; E160-V166 HydrophobicContact CG-CG2 4.3Å; G164-V166 PolarHBondContact O-N 2.92Å
167I88.7Confident88.9Confident32 Ų3274.8 Ų74.816%0.16439%0.39CS..EExtended strand (participates in β ladder)trans-115.2131.1179.8-57.9178.8000109.1F159 I161 T165 L169 H175 L177F159-I167 PolarHBondContact N-O 3.1Å; F159-I167 PolarHBondContact O-N 3.5Å; I161-I167 HydrophobicContact CD1-CD1 3.53Å; I161-I167 HydrophobicContact CD1-CG1 4.39Å; I161-I167 HydrophobicContact CG1-CD1 4.37Å; T165-I167 HydrophobicContact CG2-CG1 4.25Å; I167-L169 HydrophobicContact CG2-CD2 4.26Å; I167-L169 PolarHBondContact O-N 3.49Å; I167-H175 WeakPolarHBondContact CG2-ND1 3.24Å; I167-L177 HydrophobicContact CD1-CD2 3.43Å; I167-L177 VanDerWaalsContact CD1-CD2 3.43Å
168L90.3Very high88.9Confident87 Ų8774 Ų7446%0.45538%0.38SS..EExtended strand (participates in β ladder)trans-87.6110.2177.6-173.262000110.8E158 K170E158-L168 HydrophobicContact CG-CD1 4.26Å; L168-K170 HydrophobicContact CD2-CD 4.39Å; L168-K170 VanDerWaalsContact CD2-CE 3.45Å; L168-K170 HydrophobicContact CD2-CG 4.33Å; L168-K170 HydrophobicContact CG-CG 4.15Å; L168-K170 PolarHBondContact O-N 2.91Å
169L91.5Very high88.9Confident1 Ų168.3 Ų68.31%0.00535%0.352CS..EExtended strand (participates in β ladder)trans-85.991.4179-61.7-177.5000110.6H156 G157 F159 I167 L185 L191H156-L169 HydrophobicContact CB-CB 3.97Å; H156-L169 HydrophobicContact CB-CD1 4.2Å; H156-L169 PolarHBondContact N-O 3.35Å; G157-L169 PolarHBondContact O-N 2.95Å; F159-L169 HydrophobicContact CB-CD1 3.67Å; F159-L169 HydrophobicContact CB-CG 3.84Å; F159-L169 HydrophobicContact CD2-CD1 4.32Å; F159-L169 HydrophobicContact CG-CD1 3.93Å; I167-L169 HydrophobicContact CG2-CD2 4.26Å; I167-L169 PolarHBondContact O-N 3.49Å; L169-L185 HydrophobicContact CD1-CD1 4.05Å; L169-L191 HydrophobicContact CD1-CD2 4.4Å
170K92.3Very high88.8Confident125 Ų12572.2 Ų72.254%0.54337%0.366SS..  trans-93.3147.8172.2-70.1-172.6177.7176.20111.9C152 D155 L168 N172 S173C152-K170 WeakPolarHBondContact CB-O 3.32Å; D155-K170 WeakPolarHBondContact OD1-CA 3.35Å; L168-K170 HydrophobicContact CD2-CD 4.39Å; L168-K170 VanDerWaalsContact CD2-CE 3.45Å; L168-K170 HydrophobicContact CD2-CG 4.33Å; L168-K170 HydrophobicContact CG-CG 4.15Å; L168-K170 PolarHBondContact O-N 2.91Å; K170-N172 PolarHBondContact O-N 2.92Å; K170-S173 PolarHBondContact N-OG 3Å; K170-S173 VanDerWaalsContact O-CB 3.27Å; K170-S173 WeakPolarHBondContact O-CB 3.34Å; K170-S173 PolarHBondContact O-N 3.48Å; K170-S173 PolarHBondContact O-OG 2.76Å
171K93.4Very high88.8Confident122 Ų12268.6 Ų68.653%0.5335%0.348SS..THydrogen-bonded Turntrans-50.3135.6175.1-175.5174.6-175.8-175.50111.4D155 S173D155-K171 PolarHBondContact OD1-N 3.39Å; K171-S173 PolarHBondContact O-N 2.97Å
172N92.4Very high89Confident111 Ų11167.5 Ų67.559%0.59434%0.342SS*.THydrogen-bonded Turntrans64.23-176.8-57.6-30.2000116.2C152 K170C152-N172 WeakPolarHBondContact O-CA 3.16Å; C152-N172 PolarHBondContact O-N 3.21Å; K170-N172 PolarHBondContact O-N 2.92Å
173S93.3Very high89.3Confident31 Ų3162.5 Ų62.522%0.21732%0.315CS..  trans-71.8152.1169.268.10000111R151 C152 K170 K171 H175R151-S173 WeakPolarHBondContact CA-O 3.19Å; C152-S173 PolarHBondContact N-O 3.29Å; C152-S173 PolarHBondContact SG-OG 2.74Å; K170-S173 PolarHBondContact N-OG 3Å; K170-S173 VanDerWaalsContact O-CB 3.27Å; K170-S173 WeakPolarHBondContact O-CB 3.34Å; K170-S173 PolarHBondContact O-N 3.48Å; K170-S173 PolarHBondContact O-OG 2.76Å; K171-S173 PolarHBondContact O-N 2.97Å; S173-H175 PolarHBondContact OG-NE2 3.17Å
174Q93.8Very high89.3Confident90 Ų9061.4 Ų61.442%0.42131%0.306SS..EExtended strand (participates in β ladder)trans-120.6139.7177.2-63.3-176.522.800110V150 R151V150-Q174 CarbonylContact O-C 3.57Å; V150-Q174 VanDerWaalsContact O-CA 3.23Å; V150-Q174 WeakPolarHBondContact O-CA 3.12Å; R151-Q174 HydrophobicContact CB-CG 4.21Å; R151-Q174 HydrophobicContact CG-CG 4.29Å
175H92.4Very high89.5Confident39 Ų3960 Ų6018%0.18129%0.289CS..EExtended strand (participates in β ladder)trans-136.7149.3-177.4-57.7-81.6000110Q149 V150 I167 S173 L177Q149-H175 WeakPolarHBondContact CA-O 3.42Å; V150-H175 HydrophobicContact CG2-CB 4.24Å; V150-H175 WeakPolarHBondContact CG2-O 3.41Å; V150-H175 PolarHBondContact N-O 2.76Å; V150-H175 PolarHBondContact O-N 3.08Å; I167-H175 WeakPolarHBondContact CG2-ND1 3.24Å; S173-H175 PolarHBondContact OG-NE2 3.17Å; H175-L177 HydrophobicContact CB-CD1 3.92Å; H175-L177 HydrophobicContact CB-CD2 4.27Å; H175-L177 HydrophobicContact CB-CG 3.79Å
176F92.1Very high89.6Confident138 Ų13859.2 Ų59.261%0.60528%0.282SS*.EExtended strand (participates in β ladder)trans-107.7104.8173.1-170.9-111.2000108.5Y147 Q149Y147-F176 HydrophobicContact CD1-CD1 4.05Å; Y147-F176 AromaticContact CD1-CE1 3.9Å; Y147-F176 HydrophobicContact CD1-CE1 3.9Å; Y147-F176 HydrophobicContact CG-CD1 4.39Å; Y147-F176 AromaticContact CG-CE1 3.79Å; Y147-F176 HydrophobicContact CG-CE1 3.79Å; Y147-F176 HydrophobicContact CG-CZ 4.14Å; Q149-F176 HydrophobicContact CB-CD2 4.27Å
177L91.2Very high89.2Confident5 Ų559.1 Ų59.13%0.02627%0.273CS..EExtended strand (participates in β ladder)trans-129.2156.3-166.2-63.1179.3000111.2Y147 I148 V150 I161 I167 H175 R179 C182Y147-L177 WeakPolarHBondContact CA-O 3.41Å; I148-L177 PolarHBondContact N-O 3.23Å; I148-L177 PolarHBondContact O-N 3.43Å; V150-L177 HydrophobicContact CG2-CD1 4.03Å; V150-L177 HydrophobicContact CG2-CG 4.39Å; I161-L177 HydrophobicContact CD1-CD2 3.95Å; I167-L177 HydrophobicContact CD1-CD2 3.43Å; I167-L177 VanDerWaalsContact CD1-CD2 3.43Å; H175-L177 HydrophobicContact CB-CD1 3.92Å; H175-L177 HydrophobicContact CB-CD2 4.27Å; H175-L177 HydrophobicContact CB-CG 3.79Å; L177-R179 PolarHBondContact O-N 2.65Å; L177-C182 WeakPolarHBondContact CB-SG 3.45Å
178P90.3Very high88.9Confident13 Ų1361 Ų618%0.08428%0.281CS..EExtended strand (participates in β ladder)trans-57.4132.9171.4-20.631.1000110.9Y147 W180 K181 C182Y147-P178 HydrophobicContact CD1-CG 4.23Å; Y147-P178 HydrophobicContact CE1-CB 4.39Å; Y147-P178 HydrophobicContact CE1-CG 3.67Å; P178-W180 VanDerWaalsContact C-N 3.34Å; P178-W180 HydrophobicContact CB-CG 4.46Å; P178-W180 PolarHBondContact O-N 2.92Å; P178-K181 PolarHBondContact O-N 3.22Å; P178-C182 PolarHBondContact O-N 3.49Å; P178-C182 PolarHBondContact O-SG 3.01Å; P178-C182 VanDerWaalsContact O-SG 3.35Å
179R88Confident88.8Confident38 Ų3858.2 Ų58.214%0.14327%0.273CS..Hα-helixtrans-57.7-46.5-175.2179.7-177.9-179.7115.9-2.5112.7L146 I148 L177 K181 C182 E183L146-R179 PolarHBondContact O-N 2.89Å; I148-R179 HydrophobicContact CD1-CB 4.42Å; I148-R179 HydrophobicContact CD1-CG 4.2Å; I148-R179 HydrophobicContact CG1-CB 4.25Å; I148-R179 HydrophobicContact CG2-CB 4.17Å; I148-R179 HydrophobicContact CG2-CG 4.27Å; L177-R179 PolarHBondContact O-N 2.65Å; R179-K181 PolarHBondContact O-N 2.76Å; R179-C182 PolarHBondContact O-N 3.17Å; R179-E183 HydrophobicContact CG-CG 4.24Å; R179-E183 IonicContact CZ-OE1 3.95Å; R179-E183 IonicContact NE-OE1 3.93Å; R179-E183 PolarHBondContact NE-OE1 3.19Å; R179-E183 VanDerWaalsContact NE-OE1 3.13Å; R179-E183 IonicContact NH2-OE1 3.82Å; R179-E183 VanDerWaalsContact O-CG 3.28Å; R179-E183 WeakPolarHBondContact O-CG 3.27Å; R179-E183 PolarHBondContact O-N 3.34Å; R179-E183 VanDerWaalsContact O-N 3.11Å
180W83.9Confident88.7Confident111 Ų11159 Ų5942%0.4228%0.278SS..Hα-helixtrans-59.2-31.4-175.164-94.1000112.5D162 P178D162-W180 WeakPolarHBondContact OD2-CH2 3.5Å; P178-W180 VanDerWaalsContact C-N 3.34Å; P178-W180 HydrophobicContact CB-CG 4.46Å; P178-W180 PolarHBondContact O-N 2.92Å
181K86.2Confident88.6Confident53 Ų5353.1 Ų53.123%0.2325%0.252CS..Hα-helixtrans-74.7-31.7172.3-81.3-58.4-160.8-155.10113.7F159 D162 P178 R179F159-K181 HydrophobicContact CE1-CB 4.38Å; F159-K181 HydrophobicContact CZ-CB 4.08Å; F159-K181 HydrophobicContact CZ-CD 4.46Å; D162-K181 WeakPolarHBondContact OD1-CE 3.46Å; D162-K181 IonicContact OD1-NZ 3.13Å; D162-K181 PolarHBondContact OD1-NZ 3.2Å; P178-K181 PolarHBondContact O-N 3.22Å; R179-K181 PolarHBondContact O-N 2.76Å
182C88.1Confident88.6Confident0 Ų051.6 Ų51.60%025%0.247CC..Hα-helixtrans-82.3-24.6-174.9-63.30000113.2I148 V150 L177 P178 R179 Q184 L185 I186 L191I148-C182 HydrophobicContact CD1-CB 3.87Å; I148-C182 HydrophobicContact CG1-CB 4.45Å; V150-C182 HydrophobicContact CG1-CB 4.19Å; L177-C182 WeakPolarHBondContact CB-SG 3.45Å; P178-C182 PolarHBondContact O-N 3.49Å; P178-C182 PolarHBondContact O-SG 3.01Å; P178-C182 VanDerWaalsContact O-SG 3.35Å; R179-C182 PolarHBondContact O-N 3.17Å; C182-Q184 VanDerWaalsContact C-N 3.31Å; C182-Q184 PolarHBondContact O-N 3.36Å; C182-L185 PolarHBondContact O-N 2.95Å; C182-L185 VanDerWaalsContact O-N 3.14Å; C182-I186 HydrophobicContact CB-CD1 3.91Å; C182-I186 HydrophobicContact CB-CG1 4.43Å; C182-I186 VanDerWaalsContact O-CG1 3.29Å; C182-I186 WeakPolarHBondContact O-CG1 3.45Å; C182-I186 PolarHBondContact O-N 3.09Å; C182-L191 HydrophobicContact CB-CD1 4.22Å
183E84.7Confident88.5Confident15 Ų1549.8 Ų49.87%0.0724%0.235CC..Hα-helixtrans-56.1-43.2-170.1-63-145.8149.300113.3D139 R179 I186 R187D139-E183 PolarHBondContact N-OE2 3.15Å; R179-E183 HydrophobicContact CG-CG 4.24Å; R179-E183 IonicContact CZ-OE1 3.95Å; R179-E183 IonicContact NE-OE1 3.93Å; R179-E183 PolarHBondContact NE-OE1 3.19Å; R179-E183 VanDerWaalsContact NE-OE1 3.13Å; R179-E183 IonicContact NH2-OE1 3.82Å; R179-E183 VanDerWaalsContact O-CG 3.28Å; R179-E183 WeakPolarHBondContact O-CG 3.27Å; R179-E183 PolarHBondContact O-N 3.34Å; R179-E183 VanDerWaalsContact O-N 3.11Å; E183-I186 PolarHBondContact O-N 3.26Å; E183-R187 WeakPolarHBondContact O-CG 3.4Å; E183-R187 PolarHBondContact O-N 3.05Å; E183-R187 VanDerWaalsContact O-N 3.08Å; E183-R187 IonicContact OE2-NH2 3.93Å; E183-R187 PolarHBondContact OE2-NH2 2.85Å
184Q83.8Confident88.2Confident93 Ų9350 Ų5044%0.43524%0.235SC..Hα-helixtrans-63.9-46.3179.1-68.8-171.3-4.700111.7C182 I186 R187 Q188C182-Q184 VanDerWaalsContact C-N 3.31Å; C182-Q184 PolarHBondContact O-N 3.36Å; Q184-I186 VanDerWaalsContact C-N 3.32Å; Q184-I186 PolarHBondContact O-N 3.4Å; Q184-R187 PolarHBondContact O-N 3.15Å; Q184-Q188 WeakPolarHBondContact O-CG 3.21Å; Q184-Q188 PolarHBondContact O-N 3.04Å
185L87.5Confident87.2Confident13 Ų1353.2 Ų53.27%0.06825%0.252CS..Hα-helixtrans-68.8-31.4179.8-66.9-179000112.6H156 F159 L169 C182 G189 V190 L191H156-L185 WeakPolarHBondContact NE2-CD2 3.39Å; F159-L185 HydrophobicContact CD2-CD1 3.79Å; F159-L185 HydrophobicContact CE2-CD1 3.53Å; F159-L185 HydrophobicContact CE2-CG 4.45Å; F159-L185 HydrophobicContact CZ-CD1 4.08Å; L169-L185 HydrophobicContact CD1-CD1 4.05Å; C182-L185 PolarHBondContact O-N 2.95Å; C182-L185 VanDerWaalsContact O-N 3.14Å; L185-G189 PolarHBondContact O-N 3.42Å; L185-V190 HydrophobicContact CB-CB 4.28Å; L185-V190 HydrophobicContact CD2-CB 4.39Å; L185-V190 HydrophobicContact CD2-CG1 4.49Å; L185-V190 HydrophobicContact CD2-CG2 4.44Å; L185-V190 WeakPolarHBondContact O-CB 3.4Å; L185-V190 PolarHBondContact O-N 3.36Å; L185-L191 HydrophobicContact CB-CB 4.35Å; L185-L191 HydrophobicContact CB-CD1 3.66Å; L185-L191 HydrophobicContact CB-CG 3.81Å; L185-L191 HydrophobicContact CD1-CD1 3.8Å; L185-L191 HydrophobicContact CD1-CG 4.31Å; L185-L191 HydrophobicContact CG-CD1 4.4Å; L185-L191 PolarHBondContact O-N 3.16Å
186I88Confident85.4Confident53 Ų5359.8 Ų59.827%0.27230%0.302SS..Hα-helixtrans-64.5-46.3172.8-69166.5000110.2I148 V150 C182 E183 Q184 Q188 G189 L191 H193I148-I186 HydrophobicContact CD1-CD1 3.7Å; V150-I186 HydrophobicContact CG1-CD1 4.17Å; C182-I186 HydrophobicContact CB-CD1 3.91Å; C182-I186 HydrophobicContact CB-CG1 4.43Å; C182-I186 VanDerWaalsContact O-CG1 3.29Å; C182-I186 WeakPolarHBondContact O-CG1 3.45Å; C182-I186 PolarHBondContact O-N 3.09Å; E183-I186 PolarHBondContact O-N 3.26Å; Q184-I186 VanDerWaalsContact C-N 3.32Å; Q184-I186 PolarHBondContact O-N 3.4Å; I186-Q188 VanDerWaalsContact C-N 3.3Å; I186-Q188 PolarHBondContact O-N 2.84Å; I186-G189 PolarHBondContact O-N 3.44Å; I186-L191 WeakPolarHBondContact CA-O 3.46Å; I186-L191 HydrophobicContact CG1-CB 3.78Å; I186-H193 HydrophobicContact CD1-CB 4.35Å
187R81.6Confident85Confident72 Ų7255.9 Ų55.927%0.27229%0.287SS..Hα-helixtrans-65.1-33.7178.8-69.2178.6-152.2178.27.2113.2E93 T137 E183 Q184 G189E93-R187 WeakPolarHBondContact O-CB 3.49Å; T137-R187 VanDerWaalsContact O-CZ 3.32Å; T137-R187 PolarHBondContact O-NH1 3.44Å; T137-R187 PolarHBondContact O-NH2 3.03Å; T137-R187 VanDerWaalsContact O-NH2 3.09Å; E183-R187 WeakPolarHBondContact O-CG 3.4Å; E183-R187 PolarHBondContact O-N 3.05Å; E183-R187 VanDerWaalsContact O-N 3.08Å; E183-R187 IonicContact OE2-NH2 3.93Å; E183-R187 PolarHBondContact OE2-NH2 2.85Å; Q184-R187 PolarHBondContact O-N 3.15Å; R187-G189 PolarHBondContact O-N 3Å
188Q82.9Confident84.7Confident72 Ų7258.6 Ų58.634%0.33630%0.301SS..THydrogen-bonded Turntrans-72.8-7.1173.8-68.5172.19.600113.3Q184 I186 V190Q184-Q188 WeakPolarHBondContact O-CG 3.21Å; Q184-Q188 PolarHBondContact O-N 3.04Å; I186-Q188 VanDerWaalsContact C-N 3.3Å; I186-Q188 PolarHBondContact O-N 2.84Å; Q188-V190 VanDerWaalsContact C-N 3.29Å; Q188-V190 HydrophobicContact CB-CG2 4.11Å; Q188-V190 PolarHBondContact O-N 3.23Å
189G86.6Confident84.4Confident27 Ų2761.1 Ų61.128%0.27831%0.313SS..THydrogen-bonded Turntrans70.624.7-176.900000113.5L185 I186 R187L185-G189 PolarHBondContact O-N 3.42Å; I186-G189 PolarHBondContact O-N 3.44Å; R187-G189 PolarHBondContact O-N 3Å
190V89.1Confident84.2Confident17 Ų1762.5 Ų62.510%0.10332%0.323CS..SBendtrans-84.2-42.3172.21770000110L153 H156 L185 Q188L153-V190 PolarHBondContact N-O 3.33Å; H156-V190 HydrophobicContact CB-CG1 3.66Å; L185-V190 HydrophobicContact CB-CB 4.28Å; L185-V190 HydrophobicContact CD2-CB 4.39Å; L185-V190 HydrophobicContact CD2-CG1 4.49Å; L185-V190 HydrophobicContact CD2-CG2 4.44Å; L185-V190 WeakPolarHBondContact O-CB 3.4Å; L185-V190 PolarHBondContact O-N 3.36Å; Q188-V190 VanDerWaalsContact C-N 3.29Å; Q188-V190 HydrophobicContact CB-CG2 4.11Å; Q188-V190 PolarHBondContact O-N 3.23Å
191L91.6Very high84.2Confident3 Ų359.4 Ų59.42%0.01632%0.317CS..EExtended strand (participates in β ladder)trans-112.9149.5178.5-62.9-180000110.9V150 R151 C152 L169 C182 L185 I186V150-L191 HydrophobicContact CB-CB 4.35Å; V150-L191 HydrophobicContact CB-CD1 4.34Å; V150-L191 HydrophobicContact CG2-CD1 4.11Å; V150-L191 HydrophobicContact CG2-CD2 4.38Å; R151-L191 CarbonylContact O-C 3.24Å; R151-L191 WeakPolarHBondContact O-CA 3.25Å; C152-L191 HydrophobicContact CB-CD2 4.28Å; C152-L191 VanDerWaalsContact SG-CD2 3.52Å; L169-L191 HydrophobicContact CD1-CD2 4.4Å; C182-L191 HydrophobicContact CB-CD1 4.22Å; L185-L191 HydrophobicContact CB-CB 4.35Å; L185-L191 HydrophobicContact CB-CD1 3.66Å; L185-L191 HydrophobicContact CB-CG 3.81Å; L185-L191 HydrophobicContact CD1-CD1 3.8Å; L185-L191 HydrophobicContact CD1-CG 4.31Å; L185-L191 HydrophobicContact CG-CD1 4.4Å; L185-L191 PolarHBondContact O-N 3.16Å; I186-L191 WeakPolarHBondContact CA-O 3.46Å; I186-L191 HydrophobicContact CG1-CB 3.78Å
192E92.6Very high84.1Confident90 Ų9059.9 Ų59.942%0.42132%0.323SS..EExtended strand (participates in β ladder)trans-118.9131.9170.3-178.6178.2-148.600108.9V150 R151 L153 V194V150-E192 CarbonylContact C-O 3.51Å; V150-E192 VanDerWaalsContact CA-O 3.24Å; V150-E192 WeakPolarHBondContact CA-O 3.33Å; R151-E192 PolarHBondContact N-O 2.89Å; R151-E192 PolarHBondContact O-N 2.97Å; L153-E192 HydrophobicContact CD1-CB 4.14Å; L153-E192 HydrophobicContact CD2-CB 4.04Å; L153-E192 HydrophobicContact CG-CB 4.08Å; E192-V194 PolarHBondContact O-N 3.25Å
193H90.3Very high83.8Confident72 Ų7264.1 Ų64.133%0.33335%0.346SS..EExtended strand (participates in β ladder)trans-75.2115172.7179.6-141.4000109.5Q149 I186 M195Q149-H193 PolarHBondContact O-CD2 2.79Å; I186-H193 HydrophobicContact CD1-CB 4.35Å; H193-M195 PolarHBondContact O-N 2.98Å; H193-M195 VanDerWaalsContact O-N 3.1Å
194V88.1Confident83.7Confident37 Ų3767.9 Ų67.922%0.22437%0.367CS..  trans-78.797.5175.4-176.30000107Q149 R151 E192 S196Q149-V194 HydrophobicContact CG-CB 4.42Å; Q149-V194 PolarHBondContact O-N 2.86Å; R151-V194 HydrophobicContact CB-CG2 3.79Å; E192-V194 PolarHBondContact O-N 3.25Å; V194-S196 PolarHBondContact O-N 2.94Å
195M71.8Confident83.7Confident157 Ų15765.8 Ų65.877%0.77336%0.361SS*.  trans-69.8121.2172.9-60-164-48.200108.6H193H193-M195 PolarHBondContact O-N 2.98Å; H193-M195 VanDerWaalsContact O-N 3.1Å
196S54.1Low83.3Confident177 Ų17770.6 Ų70.6100%1.23839%0.388SS*.  trans-89.60158.3210000109.6V194V194-S196 PolarHBondContact O-N 2.94Å

Retrieved 196 of 196 residues in 171.3 ms (Link to these results)

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