G4VPU9_SCHMA Loading...

Stress-induced-phosphoprotein 1

AlphaFold DB , UniProt , Accession G4VPU9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 319 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
1M58.9Low91.8Very high206 Ų20670.1 Ų70.1100%1.01536%0.363SS*.  0-32.30-70.8177.8-159.900112.2R3 A4M1-R3 PolarHBondContact O-N 3.37Å; M1-R3 VanDerWaalsContact O-N 3.15Å; M1-A4 PolarHBondContact O-N 2.71Å
2G85.2Confident92.4Very high23 Ų2371.9 Ų71.924%0.23737%0.366CS..Hα-helixtrans-52.8-38.2-171.700000118.1A4 E5 A6G2-A4 PolarHBondContact O-N 2.67Å; G2-E5 PolarHBondContact O-N 2.94Å; G2-A6 VanDerWaalsContact O-CB 3.29Å; G2-A6 WeakPolarHBondContact O-CB 3.47Å; G2-A6 PolarHBondContact O-N 3.14Å
3R90.1Very high92.8Very high102 Ų10266.4 Ų66.439%0.38534%0.338SS..Hα-helixtrans-62.4-45.3-175-177.267-161.3-160.78.4114.3M1 E5 A6 D7 D36 C39 Y42M1-R3 PolarHBondContact O-N 3.37Å; M1-R3 VanDerWaalsContact O-N 3.15Å; R3-E5 VanDerWaalsContact C-N 3.33Å; R3-A6 PolarHBondContact O-N 3Å; R3-D7 IonicContact CZ-OD2 3.43Å; R3-D7 IonicContact NE-OD1 3.29Å; R3-D7 IonicContact NE-OD2 2.74Å; R3-D7 PolarHBondContact NE-OD2 3.19Å; R3-D7 IonicContact NH2-OD1 2.67Å; R3-D7 PolarHBondContact NH2-OD1 3.41Å; R3-D7 IonicContact NH2-OD2 3.65Å; R3-D7 PolarHBondContact O-N 2.74Å; R3-D36 WeakPolarHBondContact CD-OD2 3.35Å; R3-D36 IonicContact CZ-OD2 3.41Å; R3-D36 IonicContact NE-OD2 2.71Å; R3-D36 IonicContact NH1-OD2 3.76Å; R3-D36 PolarHBondContact NH1-OD2 3.41Å; R3-C39 PolarHBondContact NH1-SG 3.23Å; R3-C39 PolarHBondContact NH2-SG 3.09Å; R3-Y42 PolarHBondContact NE-OH 3.44Å; R3-Y42 PolarHBondContact NH1-OH 3.11Å; R3-Y42 PolarHBondContact NH2-OH 3.1Å
4A94.4Very high93.2Very high65 Ų6563.9 Ų63.954%0.53733%0.326SS..Hα-helixtrans-67.1-38.6-178.100000111.3M1 G2 D7 I8M1-A4 PolarHBondContact O-N 2.71Å; G2-A4 PolarHBondContact O-N 2.67Å; A4-D7 PolarHBondContact O-N 3.25Å; A4-I8 WeakPolarHBondContact O-CG1 3.42Å; A4-I8 PolarHBondContact O-N 3.14Å; A4-I8 VanDerWaalsContact O-N 3.14Å
5E96.3Very high93.6Very high91 Ų9164.5 Ų64.543%0.42533%0.33SS..Hα-helixtrans-67.5-41.6175.4-65.5167172.200111.1G2 R3 D7 I8 E9 L35G2-E5 PolarHBondContact O-N 2.94Å; R3-E5 VanDerWaalsContact C-N 3.33Å; E5-D7 VanDerWaalsContact C-N 3.34Å; E5-D7 PolarHBondContact O-N 3.24Å; E5-I8 WeakPolarHBondContact O-CB 3.36Å; E5-I8 PolarHBondContact O-N 2.99Å; E5-E9 PolarHBondContact O-N 3.38Å; E5-L35 HydrophobicContact CB-CD1 3.87Å; E5-L35 HydrophobicContact CB-CD2 4.45Å
6A97.4Very high93.9Very high0 Ų060.9 Ų60.90%031%0.313CS..Hα-helixtrans-61.4-40.7174.900000112.2G2 R3 I8 E9 K10 A32 L35 D36 Y42G2-A6 VanDerWaalsContact O-CB 3.29Å; G2-A6 WeakPolarHBondContact O-CB 3.47Å; G2-A6 PolarHBondContact O-N 3.14Å; R3-A6 PolarHBondContact O-N 3Å; A6-I8 VanDerWaalsContact C-N 3.33Å; A6-I8 PolarHBondContact O-N 2.96Å; A6-E9 PolarHBondContact O-N 3.29Å; A6-K10 WeakPolarHBondContact O-CB 3.48Å; A6-K10 PolarHBondContact O-N 3.43Å; A6-A32 HydrophobicContact CB-CB 4.38Å; A6-A32 WeakPolarHBondContact CB-O 3.48Å; A6-A32 WeakPolarHBondContact O-CB 3.16Å; A6-L35 HydrophobicContact CB-CB 3.77Å; A6-D36 HydrophobicContact CB-CB 3.84Å; A6-Y42 HydrophobicContact CB-CE2 3.92Å; A6-Y42 WeakPolarHBondContact CB-OH 3.49Å
7D96.1Very high94.1Very high45 Ų4561.4 Ų61.424%0.24131%0.311CS..Hα-helixtrans-67.3-33.3176.5-82.7-49.2000112.1R3 A4 E5 K10 E11R3-D7 IonicContact CZ-OD2 3.43Å; R3-D7 IonicContact NE-OD1 3.29Å; R3-D7 IonicContact NE-OD2 2.74Å; R3-D7 PolarHBondContact NE-OD2 3.19Å; R3-D7 IonicContact NH2-OD1 2.67Å; R3-D7 PolarHBondContact NH2-OD1 3.41Å; R3-D7 IonicContact NH2-OD2 3.65Å; R3-D7 PolarHBondContact O-N 2.74Å; A4-D7 PolarHBondContact O-N 3.25Å; E5-D7 VanDerWaalsContact C-N 3.34Å; E5-D7 PolarHBondContact O-N 3.24Å; D7-K10 PolarHBondContact O-N 2.93Å; D7-K10 IonicContact OD1-NZ 2.54Å; D7-K10 PolarHBondContact OD1-NZ 2.8Å; D7-E11 WeakPolarHBondContact O-CG 3.47Å; D7-E11 PolarHBondContact O-N 3.35Å
8I97.5Very high94.4Very high97 Ų9766.2 Ų66.250%0.49733%0.329SS..Hα-helixtrans-64.2-47.4171.7-69.3165.1000110.8A4 E5 A6 K10 E11 K12A4-I8 WeakPolarHBondContact O-CG1 3.42Å; A4-I8 PolarHBondContact O-N 3.14Å; A4-I8 VanDerWaalsContact O-N 3.14Å; E5-I8 WeakPolarHBondContact O-CB 3.36Å; E5-I8 PolarHBondContact O-N 2.99Å; A6-I8 VanDerWaalsContact C-N 3.33Å; A6-I8 PolarHBondContact O-N 2.96Å; I8-K10 PolarHBondContact O-N 3.1Å; I8-E11 PolarHBondContact O-N 3.36Å; I8-K12 WeakPolarHBondContact O-CG 3.28Å; I8-K12 PolarHBondContact O-N 3.06Å; I8-K12 VanDerWaalsContact O-N 3.12Å
9E98.3Very high94.5Very high26 Ų2671.6 Ų71.612%0.12135%0.35CS..Hα-helixtrans-61.2-43.8176.5-72.7-61.3120.100111.2E5 A6 E11 K12 G13 H28 N31 A32 L35E5-E9 PolarHBondContact O-N 3.38Å; A6-E9 PolarHBondContact O-N 3.29Å; E9-E11 VanDerWaalsContact C-N 3.33Å; E9-E11 PolarHBondContact O-N 3.42Å; E9-K12 WeakPolarHBondContact O-CB 3.49Å; E9-K12 PolarHBondContact O-N 3.25Å; E9-K12 IonicContact OE1-NZ 2.71Å; E9-K12 PolarHBondContact OE1-NZ 3.48Å; E9-G13 PolarHBondContact O-N 3.39Å; E9-H28 WeakPolarHBondContact O-CB 3.45Å; E9-H28 IonicContact OE2-CE1 3.62Å; E9-H28 IonicContact OE2-CG 3.78Å; E9-H28 IonicContact OE2-ND1 2.74Å; E9-H28 PolarHBondContact OE2-ND1 3Å; E9-N31 HydrophobicContact CB-CB 4.21Å; E9-N31 HydrophobicContact CG-CB 3.84Å; E9-N31 WeakPolarHBondContact OE2-CB 3.46Å; E9-N31 PolarHBondContact OE2-ND2 2.96Å; E9-A32 HydrophobicContact CB-CB 4Å; E9-L35 HydrophobicContact CG-CD1 4.03Å
10K97.9Very high94.7Very high29 Ų2976 Ų7613%0.12637%0.367CS..Hα-helixtrans-55.7-44.3174.1180-153.566.5-154.20112.2A6 D7 I8 G13 N14 Y29 A32 T41 Y42A6-K10 WeakPolarHBondContact O-CB 3.48Å; A6-K10 PolarHBondContact O-N 3.43Å; D7-K10 PolarHBondContact O-N 2.93Å; D7-K10 IonicContact OD1-NZ 2.54Å; D7-K10 PolarHBondContact OD1-NZ 2.8Å; I8-K10 PolarHBondContact O-N 3.1Å; K10-G13 PolarHBondContact O-N 2.96Å; K10-N14 PolarHBondContact O-N 3.47Å; K10-N14 PolarHBondContact O-ND2 3.41Å; K10-N14 PolarHBondContact O-OD1 2.66Å; K10-Y29 HydrophobicContact CG-CE1 4.4Å; K10-A32 HydrophobicContact CB-CB 4.39Å; K10-T41 HydrophobicContact CD-CG2 4.12Å; K10-Y42 HydrophobicContact CB-CD1 3.9Å; K10-Y42 HydrophobicContact CB-CE1 3.84Å; K10-Y42 HydrophobicContact CD-CD1 3.92Å; K10-Y42 HydrophobicContact CD-CE1 3.82Å; K10-Y42 HydrophobicContact CG-CD1 3.86Å; K10-Y42 HydrophobicContact CG-CE1 4.06Å
11E98.3Very high94.8Very high87 Ų8775.7 Ų75.741%0.40737%0.368SS..Hα-helixtrans-66-38.7178.7-68.1-47.8142.400112.7D7 I8 E9 G13 N14 D15D7-E11 WeakPolarHBondContact O-CG 3.47Å; D7-E11 PolarHBondContact O-N 3.35Å; I8-E11 PolarHBondContact O-N 3.36Å; E9-E11 VanDerWaalsContact C-N 3.33Å; E9-E11 PolarHBondContact O-N 3.42Å; E11-G13 VanDerWaalsContact C-N 3.29Å; E11-G13 PolarHBondContact O-N 2.82Å; E11-N14 WeakPolarHBondContact O-CB 3.31Å; E11-N14 PolarHBondContact O-N 3.27Å; E11-N14 PolarHBondContact OE2-ND2 3.01Å; E11-D15 PolarHBondContact O-N 3.17Å
12K98.4Very high96.7Very high92 Ų9267.9 Ų67.940%0.433%0.328SS..Hα-helixtrans-60.5-41.5171.5-63.9175.3-172.4166.50111.4I8 E9 D15 A16 H28I8-K12 WeakPolarHBondContact O-CG 3.28Å; I8-K12 PolarHBondContact O-N 3.06Å; I8-K12 VanDerWaalsContact O-N 3.12Å; E9-K12 WeakPolarHBondContact O-CB 3.49Å; E9-K12 PolarHBondContact O-N 3.25Å; E9-K12 IonicContact OE1-NZ 2.71Å; E9-K12 PolarHBondContact OE1-NZ 3.48Å; K12-D15 PolarHBondContact O-N 3.12Å; K12-A16 PolarHBondContact O-N 3.5Å; K12-H28 HydrophobicContact CB-CB 4.35Å; K12-H28 VanDerWaalsContact CD-CE1 3.48Å; K12-H28 WeakPolarHBondContact CD-CE1 3.42Å
13G98.5Very high97.3Very high0 Ų072 Ų720%034%0.341CS..Hα-helixtrans-62-41.8174.600000112.7E9 K10 E11 D15 A16 Y17 A25 Y29E9-G13 PolarHBondContact O-N 3.39Å; K10-G13 PolarHBondContact O-N 2.96Å; E11-G13 VanDerWaalsContact C-N 3.29Å; E11-G13 PolarHBondContact O-N 2.82Å; G13-D15 VanDerWaalsContact C-N 3.32Å; G13-D15 PolarHBondContact O-N 3.21Å; G13-A16 PolarHBondContact O-N 3.49Å; G13-Y17 WeakPolarHBondContact O-CB 3.31Å; G13-Y17 PolarHBondContact O-N 3.19Å; G13-A25 WeakPolarHBondContact O-CB 3.39Å; G13-Y29 VanDerWaalsContact C-CZ 3.46Å; G13-Y29 PolarHBondContact O-OH 2.85Å
14N98.3Very high97.7Very high32 Ų3269.6 Ų69.617%0.17134%0.338CS..Hα-helixtrans-61.3-41.3175.1-66.3-22.5000111.4K10 E11 Y17 K18 Y29 N45K10-N14 PolarHBondContact O-N 3.47Å; K10-N14 PolarHBondContact O-ND2 3.41Å; K10-N14 PolarHBondContact O-OD1 2.66Å; E11-N14 WeakPolarHBondContact O-CB 3.31Å; E11-N14 PolarHBondContact O-N 3.27Å; E11-N14 PolarHBondContact OE2-ND2 3.01Å; N14-Y17 PolarHBondContact O-N 3.27Å; N14-K18 VanDerWaalsContact O-CG 3.31Å; N14-K18 WeakPolarHBondContact O-CG 3.46Å; N14-K18 PolarHBondContact O-N 2.98Å; N14-Y29 WeakPolarHBondContact CA-OH 3.47Å; N14-Y29 PolarHBondContact N-OH 3.44Å; N14-Y29 PolarHBondContact OD1-OH 3.48Å; N14-Y29 VanDerWaalsContact OD1-OH 3.14Å; N14-N45 PolarHBondContact OD1-ND2 2.88Å
15D98.5Very high97.9Very high73 Ų7366.5 Ų66.539%0.3931%0.312SS..Hα-helixtrans-70.4-38.7179.4-75.5-14.1000112.6E11 K12 G13 K18 K19E11-D15 PolarHBondContact O-N 3.17Å; K12-D15 PolarHBondContact O-N 3.12Å; G13-D15 VanDerWaalsContact C-N 3.32Å; G13-D15 PolarHBondContact O-N 3.21Å; D15-K18 PolarHBondContact O-N 3.42Å; D15-K18 IonicContact OD1-NZ 2.74Å; D15-K18 PolarHBondContact OD1-NZ 3.25Å; D15-K19 WeakPolarHBondContact O-CG 3.37Å; D15-K19 PolarHBondContact O-N 3.48Å
16A98.4Very high98Very high7 Ų762.7 Ų62.76%0.05830%0.295CS..Hα-helixtrans-63.1-43170.900000111.5K12 G13 K18 K19 K20 D21 T24 A25K12-A16 PolarHBondContact O-N 3.5Å; G13-A16 PolarHBondContact O-N 3.49Å; A16-K18 PolarHBondContact O-N 3.14Å; A16-K19 CarbonylContact O-C 3.51Å; A16-K19 WeakPolarHBondContact O-CA 3.44Å; A16-K19 WeakPolarHBondContact O-CB 3.47Å; A16-K19 PolarHBondContact O-N 3.45Å; A16-K20 PolarHBondContact O-N 3.17Å; A16-K20 VanDerWaalsContact O-N 3.17Å; A16-D21 HydrophobicContact CB-CB 4.38Å; A16-D21 PolarHBondContact O-N 3.19Å; A16-T24 HydrophobicContact CB-CG2 3.86Å; A16-A25 HydrophobicContact CB-CB 3.9Å
17Y98.3Very high98.1Very high69 Ų6966.4 Ų66.427%0.27132%0.318SS..Hα-helixtrans-58.9-45.3175.9178-92.3000112.4G13 N14 K19 K20 F22 A48 V49 E52G13-Y17 WeakPolarHBondContact O-CB 3.31Å; G13-Y17 PolarHBondContact O-N 3.19Å; N14-Y17 PolarHBondContact O-N 3.27Å; Y17-K19 PolarHBondContact O-N 2.93Å; Y17-K20 WeakPolarHBondContact O-CA 3.47Å; Y17-K20 PolarHBondContact O-N 3.43Å; Y17-F22 HydrophobicContact CD2-CD1 4.3Å; Y17-F22 HydrophobicContact CD2-CE1 4.13Å; Y17-F22 HydrophobicContact CE2-CE1 4.2Å; Y17-A48 HydrophobicContact CE2-CB 4.16Å; Y17-V49 HydrophobicContact CD2-CG2 3.84Å; Y17-V49 HydrophobicContact CE2-CG2 4.37Å; Y17-E52 HydrophobicContact CE2-CG 3.89Å; Y17-E52 VanDerWaalsContact OH-CG 3.28Å; Y17-E52 WeakPolarHBondContact OH-CG 3.43Å
18K98Very high98.2Very high148 Ų14866.1 Ų66.164%0.64332%0.315SS*.Hα-helixtrans-60-32.7175.8-70167.8-159.6156.40112.3N14 D15 A16 K20N14-K18 VanDerWaalsContact O-CG 3.31Å; N14-K18 WeakPolarHBondContact O-CG 3.46Å; N14-K18 PolarHBondContact O-N 2.98Å; D15-K18 PolarHBondContact O-N 3.42Å; D15-K18 IonicContact OD1-NZ 2.74Å; D15-K18 PolarHBondContact OD1-NZ 3.25Å; A16-K18 PolarHBondContact O-N 3.14Å; K18-K20 PolarHBondContact O-N 3.06Å
19K97.9Very high98.2Very high168 Ų16861.6 Ų61.673%0.7329%0.292SS*.THydrogen-bonded Turntrans-81.40175.7-66.3170-175.6172.40113.2D15 A16 Y17 D21D15-K19 WeakPolarHBondContact O-CG 3.37Å; D15-K19 PolarHBondContact O-N 3.48Å; A16-K19 CarbonylContact O-C 3.51Å; A16-K19 WeakPolarHBondContact O-CA 3.44Å; A16-K19 WeakPolarHBondContact O-CB 3.47Å; A16-K19 PolarHBondContact O-N 3.45Å; Y17-K19 PolarHBondContact O-N 2.93Å; K19-D21 PolarHBondContact O-N 2.86Å
20K97Very high98.2Very high159 Ų15962.7 Ų62.769%0.69130%0.298SS*.THydrogen-bonded Turntrans57.522.8-171.1-56.5-173.8175.2-171.50113.8A16 Y17 K18 F22A16-K20 PolarHBondContact O-N 3.17Å; A16-K20 VanDerWaalsContact O-N 3.17Å; Y17-K20 WeakPolarHBondContact O-CA 3.47Å; Y17-K20 PolarHBondContact O-N 3.43Å; K18-K20 PolarHBondContact O-N 3.06Å; K20-F22 VanDerWaalsContact C-N 3.31Å; K20-F22 HydrophobicContact CB-CE1 4.39Å; K20-F22 HydrophobicContact CB-CE2 4.39Å; K20-F22 HydrophobicContact CB-CZ 4.07Å; K20-F22 HydrophobicContact CG-CZ 4.28Å; K20-F22 PolarHBondContact O-N 2.88Å; K20-F22 VanDerWaalsContact O-N 3.14Å
21D98.1Very high98.2Very high70 Ų7063.8 Ų63.837%0.37431%0.305SS..  trans-85.480.8170.3-175.3-1000108.6A16 K19 T24 A25A16-D21 HydrophobicContact CB-CB 4.38Å; A16-D21 PolarHBondContact O-N 3.19Å; K19-D21 PolarHBondContact O-N 2.86Å; D21-T24 WeakPolarHBondContact OD1-CB 3.37Å; D21-T24 PolarHBondContact OD1-N 3.22Å; D21-T24 PolarHBondContact OD1-OG1 2.92Å; D21-T24 VanDerWaalsContact OD1-OG1 3.09Å; D21-T24 WeakPolarHBondContact OD2-CB 3.48Å; D21-T24 PolarHBondContact OD2-OG1 3.39Å; D21-A25 WeakPolarHBondContact O-CB 3.37Å; D21-A25 PolarHBondContact O-N 3.27Å
22F98.1Very high98.2Very high42 Ų4259.7 Ų59.718%0.18429%0.286CS..Hα-helixtrans-71.1-33.7-169.2-65.5-43.5000113.6Y17 K20 A25 I26 V49 E52 K53Y17-F22 HydrophobicContact CD2-CD1 4.3Å; Y17-F22 HydrophobicContact CD2-CE1 4.13Å; Y17-F22 HydrophobicContact CE2-CE1 4.2Å; K20-F22 VanDerWaalsContact C-N 3.31Å; K20-F22 HydrophobicContact CB-CE1 4.39Å; K20-F22 HydrophobicContact CB-CE2 4.39Å; K20-F22 HydrophobicContact CB-CZ 4.07Å; K20-F22 HydrophobicContact CG-CZ 4.28Å; K20-F22 PolarHBondContact O-N 2.88Å; K20-F22 VanDerWaalsContact O-N 3.14Å; F22-A25 PolarHBondContact O-N 3.45Å; F22-I26 VanDerWaalsContact O-CG1 3.31Å; F22-I26 WeakPolarHBondContact O-CG1 3.45Å; F22-I26 PolarHBondContact O-N 3.33Å; F22-V49 HydrophobicContact CB-CG1 3.53Å; F22-V49 HydrophobicContact CD1-CG1 3.74Å; F22-V49 HydrophobicContact CG-CG1 3.87Å; F22-E52 HydrophobicContact CE1-CB 3.87Å; F22-E52 HydrophobicContact CE1-CG 4.41Å; F22-E52 HydrophobicContact CE2-CB 4.3Å; F22-E52 HydrophobicContact CZ-CB 3.6Å; F22-E52 HydrophobicContact CZ-CG 4.39Å; F22-K53 HydrophobicContact CB-CD 3.98Å; F22-K53 HydrophobicContact CB-CG 4.04Å; F22-K53 HydrophobicContact CD2-CG 3.73Å; F22-K53 HydrophobicContact CE2-CG 4.41Å; F22-K53 HydrophobicContact CG-CD 4.49Å; F22-K53 HydrophobicContact CG-CG 4Å
23E97.9Very high98.2Very high110 Ų11056.4 Ų56.451%0.51427%0.273SS..Hα-helixtrans-67.8-48.1178.1-61.3-54.514300110.3A25 I26 T27 K53E23-A25 VanDerWaalsContact C-N 3.28Å; E23-A25 PolarHBondContact O-N 2.95Å; E23-I26 PolarHBondContact O-N 2.87Å; E23-T27 PolarHBondContact O-N 3.33Å; E23-T27 PolarHBondContact O-OG1 3.02Å; E23-K53 WeakPolarHBondContact OE1-CE 3.34Å; E23-K53 IonicContact OE1-NZ 2.66Å; E23-K53 PolarHBondContact OE1-NZ 3.36Å
24T98.2Very high98.2Very high51 Ų5164 Ų6431%0.31331%0.308SS..Hα-helixtrans-61.3-37.9174.7-57.50000111.8A16 D21 T27 H28A16-T24 HydrophobicContact CB-CG2 3.86Å; D21-T24 WeakPolarHBondContact OD1-CB 3.37Å; D21-T24 PolarHBondContact OD1-N 3.22Å; D21-T24 PolarHBondContact OD1-OG1 2.92Å; D21-T24 VanDerWaalsContact OD1-OG1 3.09Å; D21-T24 WeakPolarHBondContact OD2-CB 3.48Å; D21-T24 PolarHBondContact OD2-OG1 3.39Å; T24-T27 PolarHBondContact O-N 3.36Å; T24-H28 PolarHBondContact O-CD2 3.15Å; T24-H28 VanDerWaalsContact O-CD2 3.24Å; T24-H28 PolarHBondContact O-N 3.43Å; T24-H28 VanDerWaalsContact O-N 3.1Å
25A98.6Very high98.1Very high0 Ų065.8 Ų65.80%032%0.318CS..Hα-helixtrans-61.5-46.4175.400000112G13 A16 D21 F22 E23 H28 Y29 V49G13-A25 WeakPolarHBondContact O-CB 3.39Å; A16-A25 HydrophobicContact CB-CB 3.9Å; D21-A25 WeakPolarHBondContact O-CB 3.37Å; D21-A25 PolarHBondContact O-N 3.27Å; F22-A25 PolarHBondContact O-N 3.45Å; E23-A25 VanDerWaalsContact C-N 3.28Å; E23-A25 PolarHBondContact O-N 2.95Å; A25-H28 PolarHBondContact O-N 3.47Å; A25-Y29 HydrophobicContact CB-CE2 4Å; A25-Y29 WeakPolarHBondContact O-CD2 3Å; A25-Y29 VanDerWaalsContact O-CG 3.28Å; A25-Y29 PolarHBondContact O-N 2.99Å; A25-V49 HydrophobicContact CB-CG2 4.02Å
26I98.4Very high98Very high12 Ų1263.1 Ų63.16%0.06230%0.303CS..Hα-helixtrans-60.6-47177.1-71.6162.6000110.6F22 E23 H28 Y29 D30 V49 Y50 K53F22-I26 VanDerWaalsContact O-CG1 3.31Å; F22-I26 WeakPolarHBondContact O-CG1 3.45Å; F22-I26 PolarHBondContact O-N 3.33Å; E23-I26 PolarHBondContact O-N 2.87Å; I26-H28 VanDerWaalsContact C-N 3.32Å; I26-H28 PolarHBondContact O-N 2.86Å; I26-Y29 PolarHBondContact O-N 3.1Å; I26-Y29 VanDerWaalsContact O-N 3.15Å; I26-D30 WeakPolarHBondContact CG2-OD2 3.36Å; I26-D30 PolarHBondContact O-N 3.35Å; I26-V49 HydrophobicContact CD1-CB 4.41Å; I26-V49 HydrophobicContact CD1-CG1 3.68Å; I26-V49 HydrophobicContact CG1-CB 4.05Å; I26-V49 HydrophobicContact CG1-CG1 3.69Å; I26-V49 HydrophobicContact CG1-CG2 4.29Å; I26-Y50 HydrophobicContact CD1-CE1 4.02Å; I26-K53 HydrophobicContact CD1-CD 4.32Å
27T98.6Very high97.9Very high78 Ų7866.1 Ų66.148%0.47932%0.322SS..Hα-helixtrans-55.2-47.7178.4-57.50000111.7E23 T24 D30 N31E23-T27 PolarHBondContact O-N 3.33Å; E23-T27 PolarHBondContact O-OG1 3.02Å; T24-T27 PolarHBondContact O-N 3.36Å; T27-D30 PolarHBondContact O-N 2.86Å; T27-N31 VanDerWaalsContact O-CG 3.23Å; T27-N31 PolarHBondContact O-N 3.37Å; T27-N31 PolarHBondContact O-OD1 3.15Å
28H98.6Very high97.8Very high38 Ų3865.9 Ų65.918%0.17633%0.328CS..Hα-helixtrans-67-36.7178.5-78.8-50.6000113.4E9 K12 T24 A25 I26 D30 A32E9-H28 WeakPolarHBondContact O-CB 3.45Å; E9-H28 IonicContact OE2-CE1 3.62Å; E9-H28 IonicContact OE2-CG 3.78Å; E9-H28 IonicContact OE2-ND1 2.74Å; E9-H28 PolarHBondContact OE2-ND1 3Å; K12-H28 HydrophobicContact CB-CB 4.35Å; K12-H28 VanDerWaalsContact CD-CE1 3.48Å; K12-H28 WeakPolarHBondContact CD-CE1 3.42Å; T24-H28 PolarHBondContact O-CD2 3.15Å; T24-H28 VanDerWaalsContact O-CD2 3.24Å; T24-H28 PolarHBondContact O-N 3.43Å; T24-H28 VanDerWaalsContact O-N 3.1Å; A25-H28 PolarHBondContact O-N 3.47Å; I26-H28 VanDerWaalsContact C-N 3.32Å; I26-H28 PolarHBondContact O-N 2.86Å; H28-D30 VanDerWaalsContact C-N 3.34Å; H28-A32 WeakPolarHBondContact O-CB 3.5Å; H28-A32 PolarHBondContact O-N 3.5Å
29Y98.5Very high97.7Very high3 Ų359.4 Ų59.41%0.01230%0.301CS..Hα-helixtrans-68.5-34.1173.8-61.7-42.3000112.6K10 G13 N14 A25 I26 A32 I33 N45 K46 V49K10-Y29 HydrophobicContact CG-CE1 4.4Å; G13-Y29 VanDerWaalsContact C-CZ 3.46Å; G13-Y29 PolarHBondContact O-OH 2.85Å; N14-Y29 WeakPolarHBondContact CA-OH 3.47Å; N14-Y29 PolarHBondContact N-OH 3.44Å; N14-Y29 PolarHBondContact OD1-OH 3.48Å; N14-Y29 VanDerWaalsContact OD1-OH 3.14Å; A25-Y29 HydrophobicContact CB-CE2 4Å; A25-Y29 WeakPolarHBondContact O-CD2 3Å; A25-Y29 VanDerWaalsContact O-CG 3.28Å; A25-Y29 PolarHBondContact O-N 2.99Å; I26-Y29 PolarHBondContact O-N 3.1Å; I26-Y29 VanDerWaalsContact O-N 3.15Å; Y29-A32 PolarHBondContact O-N 3.5Å; Y29-I33 WeakPolarHBondContact O-CD1 3.35Å; Y29-I33 VanDerWaalsContact O-CG1 3.26Å; Y29-I33 WeakPolarHBondContact O-CG1 3.29Å; Y29-I33 PolarHBondContact O-N 3.37Å; Y29-N45 HydrophobicContact CD1-CB 3.99Å; Y29-N45 HydrophobicContact CD2-CB 4.31Å; Y29-N45 HydrophobicContact CE1-CB 3.57Å; Y29-N45 HydrophobicContact CE2-CB 3.93Å; Y29-N45 HydrophobicContact CG-CB 4.35Å; Y29-K46 HydrophobicContact CD2-CB 4.14Å; Y29-K46 HydrophobicContact CG-CB 4.42Å; Y29-V49 HydrophobicContact CD2-CG2 4.06Å; Y29-V49 HydrophobicContact CE2-CG2 3.63Å
30D98.5Very high97.7Very high48 Ų4851.6 Ų51.626%0.25727%0.267SS..Hα-helixtrans-68-43.7174.9-77.2-27.6000111.8I26 T27 H28 A32 I33 E34 K46I26-D30 WeakPolarHBondContact CG2-OD2 3.36Å; I26-D30 PolarHBondContact O-N 3.35Å; T27-D30 PolarHBondContact O-N 2.86Å; H28-D30 VanDerWaalsContact C-N 3.34Å; D30-A32 VanDerWaalsContact C-N 3.28Å; D30-A32 PolarHBondContact O-N 3.06Å; D30-I33 WeakPolarHBondContact O-CB 3.47Å; D30-I33 PolarHBondContact O-N 3.46Å; D30-I33 VanDerWaalsContact O-N 3.1Å; D30-E34 WeakPolarHBondContact O-CG 3.41Å; D30-E34 PolarHBondContact O-N 3.02Å; D30-K46 WeakPolarHBondContact OD1-CD 3.34Å; D30-K46 WeakPolarHBondContact OD1-CE 3.46Å; D30-K46 IonicContact OD1-NZ 2.82Å; D30-K46 PolarHBondContact OD1-NZ 2.71Å; D30-K46 IonicContact OD2-NZ 2.59Å; D30-K46 PolarHBondContact OD2-NZ 3.34Å
31N98.1Very high97.7Very high53 Ų5345.8 Ų45.828%0.28325%0.245SC..Hα-helixtrans-57.7-41.5171.3-64.3-16.7000111.7E9 T27 I33 E34 L35E9-N31 HydrophobicContact CB-CB 4.21Å; E9-N31 HydrophobicContact CG-CB 3.84Å; E9-N31 WeakPolarHBondContact OE2-CB 3.46Å; E9-N31 PolarHBondContact OE2-ND2 2.96Å; T27-N31 VanDerWaalsContact O-CG 3.23Å; T27-N31 PolarHBondContact O-N 3.37Å; T27-N31 PolarHBondContact O-OD1 3.15Å; N31-I33 VanDerWaalsContact C-N 3.34Å; N31-I33 PolarHBondContact O-N 2.54Å; N31-E34 PolarHBondContact O-N 2.97Å; N31-L35 WeakPolarHBondContact O-CB 3.48Å; N31-L35 WeakPolarHBondContact O-CD1 3.39Å; N31-L35 VanDerWaalsContact O-CG 3.28Å; N31-L35 WeakPolarHBondContact O-CG 3.47Å; N31-L35 PolarHBondContact O-N 2.9Å
32A98.2Very high97.7Very high0 Ų042.5 Ų42.50%023%0.228CC..Hα-helixtrans-63.3-39176.400000112.3A6 E9 K10 H28 Y29 D30 L35 D36 Y42A6-A32 HydrophobicContact CB-CB 4.38Å; A6-A32 WeakPolarHBondContact CB-O 3.48Å; A6-A32 WeakPolarHBondContact O-CB 3.16Å; E9-A32 HydrophobicContact CB-CB 4Å; K10-A32 HydrophobicContact CB-CB 4.39Å; H28-A32 WeakPolarHBondContact O-CB 3.5Å; H28-A32 PolarHBondContact O-N 3.5Å; Y29-A32 PolarHBondContact O-N 3.5Å; D30-A32 VanDerWaalsContact C-N 3.28Å; D30-A32 PolarHBondContact O-N 3.06Å; A32-L35 PolarHBondContact O-N 2.71Å; A32-D36 PolarHBondContact O-N 2.96Å; A32-Y42 HydrophobicContact CB-CD1 4.1Å; A32-Y42 HydrophobicContact CB-CD2 4.01Å; A32-Y42 HydrophobicContact CB-CE1 4.35Å; A32-Y42 HydrophobicContact CB-CE2 4.26Å; A32-Y42 HydrophobicContact CB-CG 3.95Å; A32-Y42 WeakPolarHBondContact O-CE2 3.26Å
33I97.9Very high97.8Very high24 Ų2441.6 Ų41.612%0.12322%0.223CC..Hα-helixtrans-67.2-40.5176.1-71.4163000111.4Y29 D30 N31 L35 D36 P37 Y42 Y43 K46Y29-I33 WeakPolarHBondContact O-CD1 3.35Å; Y29-I33 VanDerWaalsContact O-CG1 3.26Å; Y29-I33 WeakPolarHBondContact O-CG1 3.29Å; Y29-I33 PolarHBondContact O-N 3.37Å; D30-I33 WeakPolarHBondContact O-CB 3.47Å; D30-I33 PolarHBondContact O-N 3.46Å; D30-I33 VanDerWaalsContact O-N 3.1Å; N31-I33 VanDerWaalsContact C-N 3.34Å; N31-I33 PolarHBondContact O-N 2.54Å; I33-L35 VanDerWaalsContact C-N 3.34Å; I33-D36 CarbonylContact O-C 3.51Å; I33-D36 VanDerWaalsContact O-C 3.25Å; I33-D36 PolarHBondContact O-N 3.49Å; I33-P37 VanDerWaalsContact O-CA 3.3Å; I33-P37 WeakPolarHBondContact O-CA 3.48Å; I33-P37 WeakPolarHBondContact O-CD 3.46Å; I33-Y42 HydrophobicContact CG1-CD2 4.36Å; I33-Y43 HydrophobicContact CD1-CD1 3.92Å; I33-Y43 HydrophobicContact CD1-CE1 3.84Å; I33-Y43 HydrophobicContact CD1-CE2 4.48Å; I33-Y43 HydrophobicContact CD1-CG 4.28Å; I33-Y43 HydrophobicContact CG1-CD2 4.44Å; I33-Y43 HydrophobicContact CG1-CE1 4.22Å; I33-Y43 HydrophobicContact CG1-CE2 4.1Å; I33-Y43 HydrophobicContact CG2-CE1 4.15Å; I33-Y43 HydrophobicContact CG2-CE2 4.46Å; I33-Y43 VanDerWaalsContact CG2-OH 3.3Å; I33-Y43 WeakPolarHBondContact CG2-OH 3.01Å; I33-K46 HydrophobicContact CD1-CD 4.38Å
34E97.3Very high97.8Very high159 Ų15936.4 Ų36.474%0.74320%0.199SC*.Hα-helixtrans-64.2-39.5176.7-72.7-178.1178.700112.1D30 N31D30-E34 WeakPolarHBondContact O-CG 3.41Å; D30-E34 PolarHBondContact O-N 3.02Å; N31-E34 PolarHBondContact O-N 2.97Å
35L97.4Very high97.8Very high70 Ų7035.1 Ų35.137%0.36619%0.19SC..Hα-helixtrans-74.3-34.6178.7-70.8167.6000113.1E5 A6 E9 N31 A32 I33E5-L35 HydrophobicContact CB-CD1 3.87Å; E5-L35 HydrophobicContact CB-CD2 4.45Å; A6-L35 HydrophobicContact CB-CB 3.77Å; E9-L35 HydrophobicContact CG-CD1 4.03Å; N31-L35 WeakPolarHBondContact O-CB 3.48Å; N31-L35 WeakPolarHBondContact O-CD1 3.39Å; N31-L35 VanDerWaalsContact O-CG 3.28Å; N31-L35 WeakPolarHBondContact O-CG 3.47Å; N31-L35 PolarHBondContact O-N 2.9Å; A32-L35 PolarHBondContact O-N 2.71Å; I33-L35 VanDerWaalsContact C-N 3.34Å
36D96.2Very high97.8Very high17 Ų1736.2 Ų36.29%0.09120%0.195CC..  trans-151.496.4175.7173.822.8000112R3 A6 A32 I33 T38 Y42R3-D36 WeakPolarHBondContact CD-OD2 3.35Å; R3-D36 IonicContact CZ-OD2 3.41Å; R3-D36 IonicContact NE-OD2 2.71Å; R3-D36 IonicContact NH1-OD2 3.76Å; R3-D36 PolarHBondContact NH1-OD2 3.41Å; A6-D36 HydrophobicContact CB-CB 3.84Å; A32-D36 PolarHBondContact O-N 2.96Å; I33-D36 CarbonylContact O-C 3.51Å; I33-D36 VanDerWaalsContact O-C 3.25Å; I33-D36 PolarHBondContact O-N 3.49Å; D36-T38 PolarHBondContact O-N 3.14Å; D36-T38 WeakPolarHBondContact OD1-CB 3.3Å; D36-T38 PolarHBondContact OD1-N 2.93Å; D36-T38 PolarHBondContact OD1-OG1 2.83Å; D36-Y42 HydrophobicContact CB-CE2 4.06Å; D36-Y42 WeakPolarHBondContact O-CD2 3.28Å; D36-Y42 WeakPolarHBondContact O-CE2 3.24Å
37P96.3Very high97.8Very high70 Ų7035.6 Ų35.646%0.45519%0.192SC..THydrogen-bonded Turntrans-77.3-1.6-177.931.1-36.1000113.5I33 V69I33-P37 VanDerWaalsContact O-CA 3.3Å; I33-P37 WeakPolarHBondContact O-CA 3.48Å; I33-P37 WeakPolarHBondContact O-CD 3.46Å; P37-V69 VanDerWaalsContact O-CG1 3.29Å; P37-V69 WeakPolarHBondContact O-CG1 3.48Å
38T96.4Very high97.8Very high63 Ų6332.5 Ų32.539%0.38717%0.174SC..THydrogen-bonded Turntrans-86.2-10-173.370.80000113.3D36 V69 N73D36-T38 PolarHBondContact O-N 3.14Å; D36-T38 WeakPolarHBondContact OD1-CB 3.3Å; D36-T38 PolarHBondContact OD1-N 2.93Å; D36-T38 PolarHBondContact OD1-OG1 2.83Å; T38-V69 WeakPolarHBondContact O-CG1 3.41Å; T38-N73 WeakPolarHBondContact CB-OD1 3.47Å
39C96.2Very high97.8Very high12 Ų1230.7 Ų30.78%0.08117%0.165CC..  trans-92110.7-175.8-159.60000113.5R3 T41 Y42 Y43R3-C39 PolarHBondContact NH1-SG 3.23Å; R3-C39 PolarHBondContact NH2-SG 3.09Å; C39-T41 PolarHBondContact O-N 2.95Å; C39-T41 VanDerWaalsContact O-N 3.08Å; C39-Y42 HydrophobicContact CB-CD1 4.26Å; C39-Y42 HydrophobicContact CB-CD2 3.51Å; C39-Y42 HydrophobicContact CB-CE1 4.05Å; C39-Y42 HydrophobicContact CB-CE2 3.27Å; C39-Y42 HydrophobicContact CB-CG 3.99Å; C39-Y42 PolarHBondContact O-N 3.37Å; C39-Y43 WeakPolarHBondContact O-CD2 3.3Å
40I97.7Very high97.8Very high4 Ų432 Ų322%0.02117%0.17CC..Hα-helixtrans-51.8-33.3171-176167.1000113.3Y42 Y43 T44 A66 A75 L79 I80I40-Y42 VanDerWaalsContact C-N 3.33Å; I40-Y42 PolarHBondContact O-N 3.23Å; I40-Y43 PolarHBondContact O-N 3.26Å; I40-T44 HydrophobicContact CD1-CG2 4.45Å; I40-T44 HydrophobicContact CG1-CG2 3.86Å; I40-T44 WeakPolarHBondContact O-CG2 2.92Å; I40-T44 PolarHBondContact O-N 3.48Å; I40-T44 PolarHBondContact O-OG1 3.22Å; I40-A66 HydrophobicContact CD1-CB 4.47Å; I40-A66 VanDerWaalsContact CD1-O 3.23Å; I40-A66 WeakPolarHBondContact CD1-O 3.41Å; I40-A66 HydrophobicContact CG1-CB 3.93Å; I40-A66 VanDerWaalsContact CG1-O 3.25Å; I40-A66 WeakPolarHBondContact CG1-O 3.47Å; I40-A75 HydrophobicContact CB-CB 4.36Å; I40-A75 HydrophobicContact CG2-CB 3.67Å; I40-L79 HydrophobicContact CD1-CB 4.08Å; I40-L79 HydrophobicContact CG2-CB 3.9Å; I40-L79 HydrophobicContact CG2-CD1 3.68Å; I40-L79 HydrophobicContact CG2-CG 4.4Å; I40-I80 HydrophobicContact CD1-CG1 3.95Å
41T97.5Very high97.8Very high38 Ų3832.1 Ų32.123%0.23317%0.168CC..Hα-helixtrans-60.4-40.8-174.3-56.80000112.2K10 C39 Y43 T44 N45K10-T41 HydrophobicContact CD-CG2 4.12Å; C39-T41 PolarHBondContact O-N 2.95Å; C39-T41 VanDerWaalsContact O-N 3.08Å; T41-Y43 PolarHBondContact O-N 3.33Å; T41-T44 WeakPolarHBondContact CA-OG1 3.39Å; T41-T44 PolarHBondContact O-N 3.04Å; T41-T44 PolarHBondContact O-OG1 3.38Å; T41-N45 WeakPolarHBondContact O-CB 3.48Å; T41-N45 PolarHBondContact O-N 3.43Å; T41-N45 PolarHBondContact O-OD1 3.3Å
42Y97.9Very high97.8Very high0 Ų034.3 Ų34.30%018%0.177CC..Hα-helixtrans-62.5-46.3-178.8-47.8-31.5000111R3 A6 K10 A32 I33 D36 C39 I40 N45 K46R3-Y42 PolarHBondContact NE-OH 3.44Å; R3-Y42 PolarHBondContact NH1-OH 3.11Å; R3-Y42 PolarHBondContact NH2-OH 3.1Å; A6-Y42 HydrophobicContact CB-CE2 3.92Å; A6-Y42 WeakPolarHBondContact CB-OH 3.49Å; K10-Y42 HydrophobicContact CB-CD1 3.9Å; K10-Y42 HydrophobicContact CB-CE1 3.84Å; K10-Y42 HydrophobicContact CD-CD1 3.92Å; K10-Y42 HydrophobicContact CD-CE1 3.82Å; K10-Y42 HydrophobicContact CG-CD1 3.86Å; K10-Y42 HydrophobicContact CG-CE1 4.06Å; A32-Y42 HydrophobicContact CB-CD1 4.1Å; A32-Y42 HydrophobicContact CB-CD2 4.01Å; A32-Y42 HydrophobicContact CB-CE1 4.35Å; A32-Y42 HydrophobicContact CB-CE2 4.26Å; A32-Y42 HydrophobicContact CB-CG 3.95Å; A32-Y42 WeakPolarHBondContact O-CE2 3.26Å; I33-Y42 HydrophobicContact CG1-CD2 4.36Å; D36-Y42 HydrophobicContact CB-CE2 4.06Å; D36-Y42 WeakPolarHBondContact O-CD2 3.28Å; D36-Y42 WeakPolarHBondContact O-CE2 3.24Å; C39-Y42 HydrophobicContact CB-CD1 4.26Å; C39-Y42 HydrophobicContact CB-CD2 3.51Å; C39-Y42 HydrophobicContact CB-CE1 4.05Å; C39-Y42 HydrophobicContact CB-CE2 3.27Å; C39-Y42 HydrophobicContact CB-CG 3.99Å; C39-Y42 PolarHBondContact O-N 3.37Å; I40-Y42 VanDerWaalsContact C-N 3.33Å; I40-Y42 PolarHBondContact O-N 3.23Å; Y42-N45 PolarHBondContact O-N 2.94Å; Y42-K46 PolarHBondContact O-N 3.32Å
43Y98.5Very high97.8Very high24 Ų2437.7 Ų37.79%0.09419%0.191CC..Hα-helixtrans-61.8-45.7174.2-61.6-88.7000111.7I33 C39 I40 T41 N45 K46 A47 I62 K65 A66 V69I33-Y43 HydrophobicContact CD1-CD1 3.92Å; I33-Y43 HydrophobicContact CD1-CE1 3.84Å; I33-Y43 HydrophobicContact CD1-CE2 4.48Å; I33-Y43 HydrophobicContact CD1-CG 4.28Å; I33-Y43 HydrophobicContact CG1-CD2 4.44Å; I33-Y43 HydrophobicContact CG1-CE1 4.22Å; I33-Y43 HydrophobicContact CG1-CE2 4.1Å; I33-Y43 HydrophobicContact CG2-CE1 4.15Å; I33-Y43 HydrophobicContact CG2-CE2 4.46Å; I33-Y43 VanDerWaalsContact CG2-OH 3.3Å; I33-Y43 WeakPolarHBondContact CG2-OH 3.01Å; C39-Y43 WeakPolarHBondContact O-CD2 3.3Å; I40-Y43 PolarHBondContact O-N 3.26Å; T41-Y43 PolarHBondContact O-N 3.33Å; Y43-N45 VanDerWaalsContact C-N 3.26Å; Y43-N45 PolarHBondContact O-N 3.27Å; Y43-K46 PolarHBondContact O-N 3.31Å; Y43-A47 WeakPolarHBondContact O-CB 3.28Å; Y43-A47 PolarHBondContact O-N 3.07Å; Y43-I62 WeakPolarHBondContact O-CG2 3.46Å; Y43-K65 HydrophobicContact CD1-CB 4.34Å; Y43-K65 HydrophobicContact CD1-CG 3.87Å; Y43-K65 HydrophobicContact CE1-CG 3.73Å; Y43-A66 HydrophobicContact CG-CB 4.5Å; Y43-V69 HydrophobicContact CD2-CB 4.41Å; Y43-V69 HydrophobicContact CD2-CG1 4.3Å; Y43-V69 HydrophobicContact CD2-CG2 4.26Å; Y43-V69 HydrophobicContact CE2-CB 4.23Å; Y43-V69 HydrophobicContact CE2-CG1 3.98Å; Y43-V69 HydrophobicContact CE2-CG2 3.75Å
44T98Very high97.7Very high1 Ų138.1 Ų38.11%0.00620%0.201CC..Hα-helixtrans-65.4-28.6178.261.90000113.4I40 T41 A48 A66 A83 R86I40-T44 HydrophobicContact CD1-CG2 4.45Å; I40-T44 HydrophobicContact CG1-CG2 3.86Å; I40-T44 WeakPolarHBondContact O-CG2 2.92Å; I40-T44 PolarHBondContact O-N 3.48Å; I40-T44 PolarHBondContact O-OG1 3.22Å; T41-T44 WeakPolarHBondContact CA-OG1 3.39Å; T41-T44 PolarHBondContact O-N 3.04Å; T41-T44 PolarHBondContact O-OG1 3.38Å; T44-A48 PolarHBondContact O-N 3.2Å; T44-A66 HydrophobicContact CG2-CB 3.8Å; T44-A83 HydrophobicContact CG2-CB 3.9Å; T44-R86 PolarHBondContact O-NH1 3.34Å; T44-R86 PolarHBondContact O-NH2 3.33Å
45N98.3Very high97.8Very high23 Ų2333 Ų3312%0.12318%0.178CC..Hα-helixtrans-75-43.3174.8-73.82.9000110.9N14 Y29 T41 Y42 Y43 A47 A48 V49N14-N45 PolarHBondContact OD1-ND2 2.88Å; Y29-N45 HydrophobicContact CD1-CB 3.99Å; Y29-N45 HydrophobicContact CD2-CB 4.31Å; Y29-N45 HydrophobicContact CE1-CB 3.57Å; Y29-N45 HydrophobicContact CE2-CB 3.93Å; Y29-N45 HydrophobicContact CG-CB 4.35Å; T41-N45 WeakPolarHBondContact O-CB 3.48Å; T41-N45 PolarHBondContact O-N 3.43Å; T41-N45 PolarHBondContact O-OD1 3.3Å; Y42-N45 PolarHBondContact O-N 2.94Å; Y43-N45 VanDerWaalsContact C-N 3.26Å; Y43-N45 PolarHBondContact O-N 3.27Å; N45-A47 VanDerWaalsContact C-N 3.33Å; N45-A47 PolarHBondContact O-N 3.25Å; N45-A48 WeakPolarHBondContact O-CB 3.38Å; N45-A48 PolarHBondContact O-N 3.12Å; N45-A48 VanDerWaalsContact O-N 3.1Å; N45-V49 PolarHBondContact O-N 2.92Å
46K98.6Very high97.9Very high23 Ų2332.6 Ų32.610%0.117%0.171CC..Hα-helixtrans-59.2-41.8172.1-178.3168.4171167.40112.1Y29 D30 I33 Y42 Y43 A48 V49 Y50 I62Y29-K46 HydrophobicContact CD2-CB 4.14Å; Y29-K46 HydrophobicContact CG-CB 4.42Å; D30-K46 WeakPolarHBondContact OD1-CD 3.34Å; D30-K46 WeakPolarHBondContact OD1-CE 3.46Å; D30-K46 IonicContact OD1-NZ 2.82Å; D30-K46 PolarHBondContact OD1-NZ 2.71Å; D30-K46 IonicContact OD2-NZ 2.59Å; D30-K46 PolarHBondContact OD2-NZ 3.34Å; I33-K46 HydrophobicContact CD1-CD 4.38Å; Y42-K46 PolarHBondContact O-N 3.32Å; Y43-K46 PolarHBondContact O-N 3.31Å; K46-A48 VanDerWaalsContact C-N 3.3Å; K46-A48 PolarHBondContact O-N 3.3Å; K46-V49 WeakPolarHBondContact O-CB 3.4Å; K46-V49 PolarHBondContact O-N 3.12Å; K46-V49 VanDerWaalsContact O-N 3.11Å; K46-Y50 HydrophobicContact CD-CE2 4.34Å; K46-Y50 HydrophobicContact CG-CD2 4.2Å; K46-Y50 HydrophobicContact CG-CE2 3.85Å; K46-Y50 WeakPolarHBondContact O-CD2 3.17Å; K46-Y50 PolarHBondContact O-N 2.97Å; K46-I62 HydrophobicContact CB-CG2 4.23Å; K46-I62 HydrophobicContact CG-CG2 4.3Å
47A98.6Very high98Very high0 Ų036.8 Ų36.80%019%0.194CC..Hα-helixtrans-61.8-36.2174.300000112.8Y43 N45 V49 Y50 Y51 C59 I62 C63Y43-A47 WeakPolarHBondContact O-CB 3.28Å; Y43-A47 PolarHBondContact O-N 3.07Å; N45-A47 VanDerWaalsContact C-N 3.33Å; N45-A47 PolarHBondContact O-N 3.25Å; A47-V49 VanDerWaalsContact C-N 3.28Å; A47-V49 PolarHBondContact O-N 3.34Å; A47-Y50 PolarHBondContact O-N 2.92Å; A47-Y51 PolarHBondContact O-N 3.22Å; A47-C59 PolarHBondContact O-SG 2.59Å; A47-C59 VanDerWaalsContact O-SG 3.42Å; A47-I62 HydrophobicContact CB-CB 4.06Å; A47-I62 HydrophobicContact CB-CG2 3.85Å; A47-C63 WeakPolarHBondContact CB-SG 3.23Å
48A98.5Very high98.1Very high12 Ų1238 Ų3810%0.09919%0.192CC..Hα-helixtrans-62.1-37.5174.300000111.6Y17 T44 N45 K46 Y51 E52Y17-A48 HydrophobicContact CE2-CB 4.16Å; T44-A48 PolarHBondContact O-N 3.2Å; N45-A48 WeakPolarHBondContact O-CB 3.38Å; N45-A48 PolarHBondContact O-N 3.12Å; N45-A48 VanDerWaalsContact O-N 3.1Å; K46-A48 VanDerWaalsContact C-N 3.3Å; K46-A48 PolarHBondContact O-N 3.3Å; A48-Y51 WeakPolarHBondContact O-CB 3.19Å; A48-Y51 PolarHBondContact O-N 3.48Å; A48-E52 WeakPolarHBondContact O-CG 3.43Å; A48-E52 PolarHBondContact O-N 3.44Å
49V98.6Very high98.2Very high0 Ų035 Ų350%017%0.173CC..Hα-helixtrans-60.4-51.1174.6-1760000110.9Y17 F22 A25 I26 Y29 N45 K46 A47 Y51 E52 K53Y17-V49 HydrophobicContact CD2-CG2 3.84Å; Y17-V49 HydrophobicContact CE2-CG2 4.37Å; F22-V49 HydrophobicContact CB-CG1 3.53Å; F22-V49 HydrophobicContact CD1-CG1 3.74Å; F22-V49 HydrophobicContact CG-CG1 3.87Å; A25-V49 HydrophobicContact CB-CG2 4.02Å; I26-V49 HydrophobicContact CD1-CB 4.41Å; I26-V49 HydrophobicContact CD1-CG1 3.68Å; I26-V49 HydrophobicContact CG1-CB 4.05Å; I26-V49 HydrophobicContact CG1-CG1 3.69Å; I26-V49 HydrophobicContact CG1-CG2 4.29Å; Y29-V49 HydrophobicContact CD2-CG2 4.06Å; Y29-V49 HydrophobicContact CE2-CG2 3.63Å; N45-V49 PolarHBondContact O-N 2.92Å; K46-V49 WeakPolarHBondContact O-CB 3.4Å; K46-V49 PolarHBondContact O-N 3.12Å; K46-V49 VanDerWaalsContact O-N 3.11Å; A47-V49 VanDerWaalsContact C-N 3.28Å; A47-V49 PolarHBondContact O-N 3.34Å; V49-Y51 VanDerWaalsContact C-N 3.27Å; V49-Y51 PolarHBondContact O-N 3.42Å; V49-E52 PolarHBondContact O-N 2.83Å; V49-E52 VanDerWaalsContact O-N 3.12Å; V49-K53 HydrophobicContact CG1-CD 4.08Å; V49-K53 HydrophobicContact CG1-CG 4.28Å; V49-K53 WeakPolarHBondContact O-CG 3.29Å; V49-K53 PolarHBondContact O-N 3.3Å
50Y98.6Very high98.3Very high30 Ų3034.9 Ų34.912%0.11817%0.173CC..Hα-helixtrans-63-34.5-179.8-74-60.3000112.9I26 K46 A47 K53 G54 E55 K58 I62I26-Y50 HydrophobicContact CD1-CE1 4.02Å; K46-Y50 HydrophobicContact CD-CE2 4.34Å; K46-Y50 HydrophobicContact CG-CD2 4.2Å; K46-Y50 HydrophobicContact CG-CE2 3.85Å; K46-Y50 WeakPolarHBondContact O-CD2 3.17Å; K46-Y50 PolarHBondContact O-N 2.97Å; A47-Y50 PolarHBondContact O-N 2.92Å; Y50-K53 PolarHBondContact O-N 3.36Å; Y50-G54 PolarHBondContact O-N 3.28Å; Y50-E55 HydrophobicContact CD1-CB 3.94Å; Y50-E55 PolarHBondContact O-N 3.33Å; Y50-K58 HydrophobicContact CD1-CB 3.94Å; Y50-K58 HydrophobicContact CD1-CD 3.98Å; Y50-K58 HydrophobicContact CD2-CB 4.2Å; Y50-K58 HydrophobicContact CE1-CB 4.28Å; Y50-K58 HydrophobicContact CE1-CD 3.63Å; Y50-K58 HydrophobicContact CG-CB 3.9Å; Y50-I62 HydrophobicContact CD2-CG1 4.01Å; Y50-I62 HydrophobicContact CE2-CG1 4.01Å
51Y98.6Very high98.3Very high51 Ų5140.5 Ų40.520%0.220%0.199CC..Hα-helixtrans-60.2-47.8171.7-178-95.5000112A47 A48 V49 K53 G54 Y56 H89 A90 K93A47-Y51 PolarHBondContact O-N 3.22Å; A48-Y51 WeakPolarHBondContact O-CB 3.19Å; A48-Y51 PolarHBondContact O-N 3.48Å; V49-Y51 VanDerWaalsContact C-N 3.27Å; V49-Y51 PolarHBondContact O-N 3.42Å; Y51-K53 VanDerWaalsContact C-N 3.34Å; Y51-K53 PolarHBondContact O-N 2.97Å; Y51-G54 PolarHBondContact O-N 3.38Å; Y51-G54 VanDerWaalsContact O-N 3.12Å; Y51-Y56 HydrophobicContact CD2-CD1 4.12Å; Y51-Y56 HydrophobicContact CD2-CE1 4.07Å; Y51-Y56 HydrophobicContact CE2-CD1 4.43Å; Y51-Y56 HydrophobicContact CE2-CE1 4.14Å; Y51-H89 HydrophobicContact CE2-CB 3.77Å; Y51-A90 HydrophobicContact CD2-CB 4.19Å; Y51-K93 HydrophobicContact CE2-CG 4.02Å; Y51-K93 VanDerWaalsContact OH-CE 3.3Å; Y51-K93 WeakPolarHBondContact OH-CE 3.34Å
52E98Very high98.4Very high100 Ų10039.8 Ų39.847%0.46719%0.193SC..Hα-helixtrans-67.5-32179-68-61143.300113Y17 F22 A48 V49 G54Y17-E52 HydrophobicContact CE2-CG 3.89Å; Y17-E52 VanDerWaalsContact OH-CG 3.28Å; Y17-E52 WeakPolarHBondContact OH-CG 3.43Å; F22-E52 HydrophobicContact CE1-CB 3.87Å; F22-E52 HydrophobicContact CE1-CG 4.41Å; F22-E52 HydrophobicContact CE2-CB 4.3Å; F22-E52 HydrophobicContact CZ-CB 3.6Å; F22-E52 HydrophobicContact CZ-CG 4.39Å; A48-E52 WeakPolarHBondContact O-CG 3.43Å; A48-E52 PolarHBondContact O-N 3.44Å; V49-E52 PolarHBondContact O-N 2.83Å; V49-E52 VanDerWaalsContact O-N 3.12Å; E52-G54 PolarHBondContact O-N 3.02Å
53K97.9Very high98.4Very high70 Ų7039.8 Ų39.830%0.30419%0.194SC..THydrogen-bonded Turntrans-71.3-9.8173.1-68.6-176.176.2-172.20113.6F22 E23 I26 V49 Y50 Y51 E55F22-K53 HydrophobicContact CB-CD 3.98Å; F22-K53 HydrophobicContact CB-CG 4.04Å; F22-K53 HydrophobicContact CD2-CG 3.73Å; F22-K53 HydrophobicContact CE2-CG 4.41Å; F22-K53 HydrophobicContact CG-CD 4.49Å; F22-K53 HydrophobicContact CG-CG 4Å; E23-K53 WeakPolarHBondContact OE1-CE 3.34Å; E23-K53 IonicContact OE1-NZ 2.66Å; E23-K53 PolarHBondContact OE1-NZ 3.36Å; I26-K53 HydrophobicContact CD1-CD 4.32Å; V49-K53 HydrophobicContact CG1-CD 4.08Å; V49-K53 HydrophobicContact CG1-CG 4.28Å; V49-K53 WeakPolarHBondContact O-CG 3.29Å; V49-K53 PolarHBondContact O-N 3.3Å; Y50-K53 PolarHBondContact O-N 3.36Å; Y51-K53 VanDerWaalsContact C-N 3.34Å; Y51-K53 PolarHBondContact O-N 2.97Å; K53-E55 HydrophobicContact CB-CG 4.14Å; K53-E55 WeakPolarHBondContact CE-OE1 3.45Å; K53-E55 IonicContact NZ-OE1 2.8Å; K53-E55 PolarHBondContact NZ-OE1 3.45Å; K53-E55 PolarHBondContact O-N 2.95Å
54G97.6Very high98.4Very high33 Ų3342.4 Ų42.434%0.3421%0.206SC..THydrogen-bonded Turntrans75.89-172.500000114Y50 Y51 E52 Y56Y50-G54 PolarHBondContact O-N 3.28Å; Y51-G54 PolarHBondContact O-N 3.38Å; Y51-G54 VanDerWaalsContact O-N 3.12Å; E52-G54 PolarHBondContact O-N 3.02Å; G54-Y56 WeakPolarHBondContact O-CD2 3.28Å; G54-Y56 PolarHBondContact O-N 3.45Å
55E98.4Very high98.4Very high52 Ų5246.3 Ų46.324%0.24322%0.224CC..  trans-84.266.3177.2-65.6-176-134.300109.8Y50 K53 D57 K58 C59Y50-E55 HydrophobicContact CD1-CB 3.94Å; Y50-E55 PolarHBondContact O-N 3.33Å; K53-E55 HydrophobicContact CB-CG 4.14Å; K53-E55 WeakPolarHBondContact CE-OE1 3.45Å; K53-E55 IonicContact NZ-OE1 2.8Å; K53-E55 PolarHBondContact NZ-OE1 3.45Å; K53-E55 PolarHBondContact O-N 2.95Å; E55-D57 PolarHBondContact O-N 3.13Å; E55-K58 HydrophobicContact CB-CB 4.45Å; E55-K58 PolarHBondContact O-N 2.93Å; E55-K58 VanDerWaalsContact OE2-CD 3.24Å; E55-K58 WeakPolarHBondContact OE2-CD 3.37Å; E55-K58 VanDerWaalsContact OE2-CE 3.28Å; E55-K58 WeakPolarHBondContact OE2-CE 3.27Å; E55-K58 IonicContact OE2-NZ 2.85Å; E55-K58 PolarHBondContact OE2-NZ 3.42Å; E55-C59 PolarHBondContact O-N 2.82Å
56Y98.6Very high98.4Very high61 Ų6145.2 Ų45.224%0.23922%0.218CC..Hα-helixtrans-64-35.2-168.5-59.6-50.8000114.3Y51 G54 C59 V60 A90 K93 K94Y51-Y56 HydrophobicContact CD2-CD1 4.12Å; Y51-Y56 HydrophobicContact CD2-CE1 4.07Å; Y51-Y56 HydrophobicContact CE2-CD1 4.43Å; Y51-Y56 HydrophobicContact CE2-CE1 4.14Å; G54-Y56 WeakPolarHBondContact O-CD2 3.28Å; G54-Y56 PolarHBondContact O-N 3.45Å; Y56-C59 WeakPolarHBondContact O-CB 3.47Å; Y56-C59 PolarHBondContact O-N 3.24Å; Y56-V60 WeakPolarHBondContact O-CG2 3.36Å; Y56-V60 PolarHBondContact O-N 2.63Å; Y56-A90 HydrophobicContact CD1-CB 4.15Å; Y56-K93 HydrophobicContact CD1-CB 4.08Å; Y56-K93 HydrophobicContact CD2-CB 4Å; Y56-K93 HydrophobicContact CE1-CB 3.66Å; Y56-K93 HydrophobicContact CE1-CG 3.82Å; Y56-K93 HydrophobicContact CE2-CB 3.55Å; Y56-K93 HydrophobicContact CE2-CG 4.43Å; Y56-K93 HydrophobicContact CG-CB 4.26Å; Y56-K94 HydrophobicContact CD2-CG 3.84Å; Y56-K94 HydrophobicContact CG-CG 4.12Å
57D98.4Very high98.4Very high105 Ų10544.5 Ų44.556%0.56122%0.215SC*.Hα-helixtrans-63.6-46.2177-68.9-41.8000111.6E55 C59 V60 E61 K94E55-D57 PolarHBondContact O-N 3.13Å; D57-C59 VanDerWaalsContact C-N 3.32Å; D57-C59 PolarHBondContact O-N 3.48Å; D57-V60 PolarHBondContact O-N 2.95Å; D57-E61 PolarHBondContact O-N 3.49Å; D57-K94 WeakPolarHBondContact OD1-CE 3.45Å; D57-K94 IonicContact OD1-NZ 3.64Å; D57-K94 PolarHBondContact OD1-NZ 2.99Å
58K98.3Very high98.4Very high95 Ų9549 Ų4941%0.41324%0.236SC..Hα-helixtrans-65.1-37174.4-65.6-169.7-166.6161.10111.8Y50 E55 V60 E61 I62Y50-K58 HydrophobicContact CD1-CB 3.94Å; Y50-K58 HydrophobicContact CD1-CD 3.98Å; Y50-K58 HydrophobicContact CD2-CB 4.2Å; Y50-K58 HydrophobicContact CE1-CB 4.28Å; Y50-K58 HydrophobicContact CE1-CD 3.63Å; Y50-K58 HydrophobicContact CG-CB 3.9Å; E55-K58 HydrophobicContact CB-CB 4.45Å; E55-K58 PolarHBondContact O-N 2.93Å; E55-K58 VanDerWaalsContact OE2-CD 3.24Å; E55-K58 WeakPolarHBondContact OE2-CD 3.37Å; E55-K58 VanDerWaalsContact OE2-CE 3.28Å; E55-K58 WeakPolarHBondContact OE2-CE 3.27Å; E55-K58 IonicContact OE2-NZ 2.85Å; E55-K58 PolarHBondContact OE2-NZ 3.42Å; K58-V60 VanDerWaalsContact C-N 3.33Å; K58-V60 PolarHBondContact O-N 3.43Å; K58-E61 PolarHBondContact O-N 2.88Å; K58-I62 VanDerWaalsContact O-CG1 3.27Å; K58-I62 WeakPolarHBondContact O-CG1 3.39Å; K58-I62 PolarHBondContact O-N 3.12Å
59C98.7Very high98.4Very high0 Ų048.6 Ų48.60%023%0.233CC..Hα-helixtrans-56.9-47.8173.6173.50000111.3A47 E55 Y56 D57 C63 A90A47-C59 PolarHBondContact O-SG 2.59Å; A47-C59 VanDerWaalsContact O-SG 3.42Å; E55-C59 PolarHBondContact O-N 2.82Å; Y56-C59 WeakPolarHBondContact O-CB 3.47Å; Y56-C59 PolarHBondContact O-N 3.24Å; D57-C59 VanDerWaalsContact C-N 3.32Å; D57-C59 PolarHBondContact O-N 3.48Å; C59-C63 WeakPolarHBondContact O-CB 3.33Å; C59-C63 PolarHBondContact O-N 3.08Å; C59-C63 PolarHBondContact O-SG 3.49Å; C59-A90 HydrophobicContact CB-CB 4.32Å
60V98.7Very high98.4Very high11 Ų1148.6 Ų48.67%0.06723%0.233CC..Hα-helixtrans-62.5-48.7177.8173.60000110.7Y56 D57 K58 I62 C63 E64 A87 A90 F91Y56-V60 WeakPolarHBondContact O-CG2 3.36Å; Y56-V60 PolarHBondContact O-N 2.63Å; D57-V60 PolarHBondContact O-N 2.95Å; K58-V60 VanDerWaalsContact C-N 3.33Å; K58-V60 PolarHBondContact O-N 3.43Å; V60-I62 VanDerWaalsContact C-N 3.34Å; V60-I62 PolarHBondContact O-N 2.86Å; V60-C63 WeakPolarHBondContact O-CA 3.33Å; V60-C63 WeakPolarHBondContact O-CB 3.36Å; V60-C63 PolarHBondContact O-N 3.3Å; V60-E64 HydrophobicContact CG1-CG 4.38Å; V60-E64 WeakPolarHBondContact O-CG 3.3Å; V60-E64 PolarHBondContact O-N 3.27Å; V60-A87 HydrophobicContact CG1-CB 4.49Å; V60-A87 HydrophobicContact CG2-CB 4.27Å; V60-A90 HydrophobicContact CG2-CB 3.8Å; V60-F91 HydrophobicContact CB-CE2 4.45Å; V60-F91 HydrophobicContact CB-CZ 4.48Å; V60-F91 HydrophobicContact CG1-CE2 3.75Å; V60-F91 HydrophobicContact CG1-CZ 3.76Å; V60-F91 HydrophobicContact CG2-CD2 4.12Å; V60-F91 HydrophobicContact CG2-CE1 4.5Å; V60-F91 HydrophobicContact CG2-CE2 3.77Å; V60-F91 HydrophobicContact CG2-CZ 4Å
61E98.6Very high98.3Very high122 Ų12254 Ų5457%0.5725%0.253SS*.Hα-helixtrans-53.4-49.6177.9-176-168.9155.800111.7D57 K58 C63 E64 K65D57-E61 PolarHBondContact O-N 3.49Å; K58-E61 PolarHBondContact O-N 2.88Å; E61-C63 VanDerWaalsContact C-N 3.34Å; E61-C63 PolarHBondContact O-N 2.87Å; E61-E64 PolarHBondContact O-N 3.16Å; E61-K65 PolarHBondContact O-N 3.43Å
62I98.6Very high98.3Very high22 Ų2258.4 Ų58.411%0.11328%0.275CS..Hα-helixtrans-68.7-33179.2-59.5-62.2000111.5Y43 K46 A47 Y50 K58 V60 K65 A66Y43-I62 WeakPolarHBondContact O-CG2 3.46Å; K46-I62 HydrophobicContact CB-CG2 4.23Å; K46-I62 HydrophobicContact CG-CG2 4.3Å; A47-I62 HydrophobicContact CB-CB 4.06Å; A47-I62 HydrophobicContact CB-CG2 3.85Å; Y50-I62 HydrophobicContact CD2-CG1 4.01Å; Y50-I62 HydrophobicContact CE2-CG1 4.01Å; K58-I62 VanDerWaalsContact O-CG1 3.27Å; K58-I62 WeakPolarHBondContact O-CG1 3.39Å; K58-I62 PolarHBondContact O-N 3.12Å; V60-I62 VanDerWaalsContact C-N 3.34Å; V60-I62 PolarHBondContact O-N 2.86Å; I62-K65 PolarHBondContact O-N 3.2Å; I62-A66 WeakPolarHBondContact O-CB 3.46Å; I62-A66 PolarHBondContact O-N 3.06Å
63C98.7Very high98.2Very high1 Ų157.1 Ų57.11%0.00727%0.271CS..Hα-helixtrans-65.8-41.1173.8-72.90000111.9A47 C59 V60 E61 K65 A66 V67 A83 A87A47-C63 WeakPolarHBondContact CB-SG 3.23Å; C59-C63 WeakPolarHBondContact O-CB 3.33Å; C59-C63 PolarHBondContact O-N 3.08Å; C59-C63 PolarHBondContact O-SG 3.49Å; V60-C63 WeakPolarHBondContact O-CA 3.33Å; V60-C63 WeakPolarHBondContact O-CB 3.36Å; V60-C63 PolarHBondContact O-N 3.3Å; E61-C63 VanDerWaalsContact C-N 3.34Å; E61-C63 PolarHBondContact O-N 2.87Å; C63-K65 VanDerWaalsContact C-N 3.33Å; C63-A66 WeakPolarHBondContact O-CB 3.46Å; C63-A66 PolarHBondContact O-N 3.23Å; C63-V67 WeakPolarHBondContact O-CG2 3.25Å; C63-V67 PolarHBondContact O-N 3.02Å; C63-A83 WeakPolarHBondContact CB-O 3.17Å; C63-A83 PolarHBondContact SG-O 3.17Å; C63-A87 HydrophobicContact CB-CB 3.92Å
64E98.6Very high98.1Very high78 Ų7865 Ų6536%0.36430%0.299SS..Hα-helixtrans-62.9-43.1174.4-69.3-177.215100110.8V60 E61 A66 V67 E68 Y103V60-E64 HydrophobicContact CG1-CG 4.38Å; V60-E64 WeakPolarHBondContact O-CG 3.3Å; V60-E64 PolarHBondContact O-N 3.27Å; E61-E64 PolarHBondContact O-N 3.16Å; E64-A66 VanDerWaalsContact C-N 3.29Å; E64-A66 PolarHBondContact O-N 2.95Å; E64-V67 WeakPolarHBondContact O-CB 3.35Å; E64-V67 PolarHBondContact O-N 3.4Å; E64-V67 VanDerWaalsContact O-N 3.1Å; E64-E68 PolarHBondContact O-N 3.29Å; E64-Y103 HydrophobicContact CG-CE1 4.39Å; E64-Y103 PolarHBondContact OE1-OH 3.28Å
65K98.5Very high98Very high84 Ų8464.5 Ų64.537%0.36529%0.292SS..Hα-helixtrans-61.2-39.9173.9-169.260-175.91720112.5Y43 E61 I62 C63 V67 E68 V69Y43-K65 HydrophobicContact CD1-CB 4.34Å; Y43-K65 HydrophobicContact CD1-CG 3.87Å; Y43-K65 HydrophobicContact CE1-CG 3.73Å; E61-K65 PolarHBondContact O-N 3.43Å; I62-K65 PolarHBondContact O-N 3.2Å; C63-K65 VanDerWaalsContact C-N 3.33Å; K65-V67 VanDerWaalsContact C-N 3.3Å; K65-V67 PolarHBondContact O-N 2.98Å; K65-E68 VanDerWaalsContact CD-OE2 3.28Å; K65-E68 WeakPolarHBondContact CD-OE2 3.38Å; K65-E68 IonicContact NZ-OE2 2.83Å; K65-E68 PolarHBondContact NZ-OE2 2.87Å; K65-E68 PolarHBondContact O-N 2.96Å; K65-V69 WeakPolarHBondContact O-CG2 3.44Å; K65-V69 PolarHBondContact O-N 3.25Å
66A98.5Very high97.9Very high0 Ų066.2 Ų66.20%030%0.303CS..Hα-helixtrans-59.8-41.3174.800000111.5I40 Y43 T44 I62 C63 E64 G70 A83I40-A66 HydrophobicContact CD1-CB 4.47Å; I40-A66 VanDerWaalsContact CD1-O 3.23Å; I40-A66 WeakPolarHBondContact CD1-O 3.41Å; I40-A66 HydrophobicContact CG1-CB 3.93Å; I40-A66 VanDerWaalsContact CG1-O 3.25Å; I40-A66 WeakPolarHBondContact CG1-O 3.47Å; Y43-A66 HydrophobicContact CG-CB 4.5Å; T44-A66 HydrophobicContact CG2-CB 3.8Å; I62-A66 WeakPolarHBondContact O-CB 3.46Å; I62-A66 PolarHBondContact O-N 3.06Å; C63-A66 WeakPolarHBondContact O-CB 3.46Å; C63-A66 PolarHBondContact O-N 3.23Å; E64-A66 VanDerWaalsContact C-N 3.29Å; E64-A66 PolarHBondContact O-N 2.95Å; A66-G70 PolarHBondContact O-N 3.38Å; A66-A83 HydrophobicContact CB-CB 4.12Å
67V98.5Very high97.8Very high8 Ų869.7 Ų69.75%0.04832%0.319CS..Hα-helixtrans-65.3-44.4176.3170.40000111.6C63 E64 K65 G70 R71 I80 A83 F84C63-V67 WeakPolarHBondContact O-CG2 3.25Å; C63-V67 PolarHBondContact O-N 3.02Å; E64-V67 WeakPolarHBondContact O-CB 3.35Å; E64-V67 PolarHBondContact O-N 3.4Å; E64-V67 VanDerWaalsContact O-N 3.1Å; K65-V67 VanDerWaalsContact C-N 3.3Å; K65-V67 PolarHBondContact O-N 2.98Å; V67-G70 PolarHBondContact O-N 2.96Å; V67-R71 HydrophobicContact CG1-CG 4.37Å; V67-R71 WeakPolarHBondContact O-CB 3.41Å; V67-R71 WeakPolarHBondContact O-CG 3.5Å; V67-R71 PolarHBondContact O-N 3.1Å; V67-I80 HydrophobicContact CG1-CG2 4.1Å; V67-I80 HydrophobicContact CG2-CG2 4.11Å; V67-A83 HydrophobicContact CG2-CB 3.79Å; V67-F84 HydrophobicContact CB-CE1 4.48Å; V67-F84 HydrophobicContact CB-CZ 4.3Å; V67-F84 HydrophobicContact CG1-CE1 4.18Å; V67-F84 HydrophobicContact CG1-CE2 4.03Å; V67-F84 HydrophobicContact CG1-CZ 3.58Å; V67-F84 HydrophobicContact CG2-CD1 4.05Å; V67-F84 HydrophobicContact CG2-CD2 4.23Å; V67-F84 HydrophobicContact CG2-CE1 3.82Å; V67-F84 HydrophobicContact CG2-CE2 4.03Å; V67-F84 HydrophobicContact CG2-CG 4.25Å; V67-F84 HydrophobicContact CG2-CZ 3.84Å
68E98.2Very high97.8Very high94 Ų9470.6 Ų70.644%0.43932%0.318SS..Hα-helixtrans-55.7-55.8175.4-69.8177179.500110.9E64 K65 G70 R71 E72E64-E68 PolarHBondContact O-N 3.29Å; K65-E68 VanDerWaalsContact CD-OE2 3.28Å; K65-E68 WeakPolarHBondContact CD-OE2 3.38Å; K65-E68 IonicContact NZ-OE2 2.83Å; K65-E68 PolarHBondContact NZ-OE2 2.87Å; K65-E68 PolarHBondContact O-N 2.96Å; E68-G70 VanDerWaalsContact C-N 3.29Å; E68-G70 PolarHBondContact O-N 2.98Å; E68-R71 PolarHBondContact O-N 3.29Å; E68-R71 VanDerWaalsContact O-N 3.14Å; E68-E72 WeakPolarHBondContact O-CG 3.46Å; E68-E72 PolarHBondContact O-N 2.99Å
69V98Very high97.7Very high4 Ų468.7 Ų68.72%0.02431%0.312CS..Hα-helixtrans-58.4-42.8179.1171.50000111P37 T38 Y43 K65 R71 N73P37-V69 VanDerWaalsContact O-CG1 3.29Å; P37-V69 WeakPolarHBondContact O-CG1 3.48Å; T38-V69 WeakPolarHBondContact O-CG1 3.41Å; Y43-V69 HydrophobicContact CD2-CB 4.41Å; Y43-V69 HydrophobicContact CD2-CG1 4.3Å; Y43-V69 HydrophobicContact CD2-CG2 4.26Å; Y43-V69 HydrophobicContact CE2-CB 4.23Å; Y43-V69 HydrophobicContact CE2-CG1 3.98Å; Y43-V69 HydrophobicContact CE2-CG2 3.75Å; K65-V69 WeakPolarHBondContact O-CG2 3.44Å; K65-V69 PolarHBondContact O-N 3.25Å; V69-R71 PolarHBondContact O-N 2.86Å; V69-N73 WeakPolarHBondContact O-CB 3.43Å; V69-N73 PolarHBondContact O-N 3.41Å; V69-N73 PolarHBondContact O-ND2 3.01Å
70G97.7Very high97.7Very high0 Ų068.9 Ų68.90%031%0.313CS..Hα-helixtrans-62.3-40.9177.900000113.3A66 V67 E68 R74 A75A66-G70 PolarHBondContact O-N 3.38Å; V67-G70 PolarHBondContact O-N 2.96Å; E68-G70 VanDerWaalsContact C-N 3.29Å; E68-G70 PolarHBondContact O-N 2.98Å; G70-R74 PolarHBondContact O-N 3.3Å; G70-A75 PolarHBondContact O-N 3.15Å
71R97.3Very high97.7Very high144 Ų14468.4 Ų68.454%0.54331%0.31SS..Hα-helixtrans-71.5-44.3178.6-74.1177.3172.4-175-3.5111.9V67 E68 V69 N73 R74 I80 E110V67-R71 HydrophobicContact CG1-CG 4.37Å; V67-R71 WeakPolarHBondContact O-CB 3.41Å; V67-R71 WeakPolarHBondContact O-CG 3.5Å; V67-R71 PolarHBondContact O-N 3.1Å; E68-R71 PolarHBondContact O-N 3.29Å; E68-R71 VanDerWaalsContact O-N 3.14Å; V69-R71 PolarHBondContact O-N 2.86Å; R71-N73 VanDerWaalsContact C-N 3.27Å; R71-N73 PolarHBondContact O-N 3.44Å; R71-R74 PolarHBondContact O-N 3.43Å; R71-I80 HydrophobicContact CG-CD1 4.03Å; R71-E110 IonicContact CZ-OE1 3.02Å; R71-E110 IonicContact NE-OE1 3.72Å; R71-E110 IonicContact NH2-OE1 2.71Å; R71-E110 PolarHBondContact NH2-OE1 2.93Å
72E97.5Very high97.6Very high143 Ų14367.5 Ų67.567%0.66831%0.305SS*.Hα-helixtrans-61-37.8177.7-72.6175.6176.800112E68E68-E72 WeakPolarHBondContact O-CG 3.46Å; E68-E72 PolarHBondContact O-N 2.99Å
73N96.6Very high97.6Very high73 Ų7366.4 Ų66.439%0.3930%0.299SS..THydrogen-bonded Turntrans-102.112.4-176.1-61.6-78.3000113.9T38 V69 R71 A75T38-N73 WeakPolarHBondContact CB-OD1 3.47Å; V69-N73 WeakPolarHBondContact O-CB 3.43Å; V69-N73 PolarHBondContact O-N 3.41Å; V69-N73 PolarHBondContact O-ND2 3.01Å; R71-N73 VanDerWaalsContact C-N 3.27Å; R71-N73 PolarHBondContact O-N 3.44Å; N73-A75 VanDerWaalsContact C-N 3.32Å; N73-A75 PolarHBondContact O-N 3.33Å
74R96.1Very high97.6Very high235 Ų23566.9 Ų66.989%0.88730%0.301SS*.THydrogen-bonded Turntrans53.144176.9-55-179.9178.9-175.5-0.4113.9G70 R71G70-R74 PolarHBondContact O-N 3.3Å; R71-R74 PolarHBondContact O-N 3.43Å
75A95.7Very high97.6Very high23 Ų2363.5 Ų63.519%0.1929%0.286CS..  trans-62.5159.2175.100000112.1I40 G70 N73 F77I40-A75 HydrophobicContact CB-CB 4.36Å; I40-A75 HydrophobicContact CG2-CB 3.67Å; G70-A75 PolarHBondContact O-N 3.15Å; N73-A75 VanDerWaalsContact C-N 3.32Å; N73-A75 PolarHBondContact O-N 3.33Å; A75-F77 PolarHBondContact O-N 3.19Å
76D96.4Very high97.6Very high87 Ų8760.9 Ų60.947%0.46527%0.274SS..  trans-55129.4173.5-172.4-40.9000110.3K78 L79 I80D76-K78 PolarHBondContact O-N 3.33Å; D76-K78 VanDerWaalsContact OD1-CB 3.26Å; D76-K78 WeakPolarHBondContact OD1-CB 3.49Å; D76-K78 WeakPolarHBondContact OD1-CG 3.37Å; D76-K78 PolarHBondContact OD1-N 3.06Å; D76-L79 HydrophobicContact CB-CD1 4.36Å; D76-L79 HydrophobicContact CB-CG 4.35Å; D76-L79 WeakPolarHBondContact O-CB 3.39Å; D76-L79 PolarHBondContact O-N 3Å; D76-I80 PolarHBondContact O-N 3.05Å
77F96.8Very high97.6Very high134 Ų13460.9 Ų60.959%0.58827%0.274SS*.Hα-helixtrans-53.9-27.8178.9-58.3-72.7000112.9A75 L79 I80 A81A75-F77 PolarHBondContact O-N 3.19Å; F77-L79 VanDerWaalsContact C-N 3.32Å; F77-L79 PolarHBondContact O-N 3.27Å; F77-I80 PolarHBondContact O-N 2.86Å; F77-A81 WeakPolarHBondContact O-CB 3.36Å; F77-A81 PolarHBondContact O-N 2.99Å
78K97.3Very high97.6Very high124 Ų12460.5 Ų60.554%0.53927%0.272SS..Hα-helixtrans-64-34.7173.6-65.5177.2-178.8175.90112.7D76 K82D76-K78 PolarHBondContact O-N 3.33Å; D76-K78 VanDerWaalsContact OD1-CB 3.26Å; D76-K78 WeakPolarHBondContact OD1-CB 3.49Å; D76-K78 WeakPolarHBondContact OD1-CG 3.37Å; D76-K78 PolarHBondContact OD1-N 3.06Å; K78-K82 WeakPolarHBondContact O-CB 3.5Å; K78-K82 PolarHBondContact O-N 3.45Å
79L96.8Very high97.6Very high55 Ų5558.5 Ų58.529%0.28826%0.263SS..Hα-helixtrans-73-38.8176.8-64174.7000111.1I40 D76 F77 K82 A83I40-L79 HydrophobicContact CD1-CB 4.08Å; I40-L79 HydrophobicContact CG2-CB 3.9Å; I40-L79 HydrophobicContact CG2-CD1 3.68Å; I40-L79 HydrophobicContact CG2-CG 4.4Å; D76-L79 HydrophobicContact CB-CD1 4.36Å; D76-L79 HydrophobicContact CB-CG 4.35Å; D76-L79 WeakPolarHBondContact O-CB 3.39Å; D76-L79 PolarHBondContact O-N 3Å; F77-L79 VanDerWaalsContact C-N 3.32Å; F77-L79 PolarHBondContact O-N 3.27Å; L79-K82 WeakPolarHBondContact O-CB 3.45Å; L79-K82 PolarHBondContact O-N 2.95Å; L79-A83 PolarHBondContact O-N 3.49Å
80I98.2Very high97.7Very high4 Ų458.3 Ų58.32%0.02126%0.261CS..Hα-helixtrans-64.1-46.1173.7-60.1176000110I40 V67 R71 D76 F77 K82 A83 F84 E110I40-I80 HydrophobicContact CD1-CG1 3.95Å; V67-I80 HydrophobicContact CG1-CG2 4.1Å; V67-I80 HydrophobicContact CG2-CG2 4.11Å; R71-I80 HydrophobicContact CG-CD1 4.03Å; D76-I80 PolarHBondContact O-N 3.05Å; F77-I80 PolarHBondContact O-N 2.86Å; I80-K82 VanDerWaalsContact C-N 3.33Å; I80-K82 PolarHBondContact O-N 2.95Å; I80-A83 WeakPolarHBondContact O-CB 3.5Å; I80-A83 PolarHBondContact O-N 3.22Å; I80-A83 VanDerWaalsContact O-N 3.14Å; I80-F84 HydrophobicContact CG2-CD2 4.02Å; I80-F84 HydrophobicContact CG2-CE2 3.77Å; I80-F84 PolarHBondContact O-N 3.08Å; I80-E110 HydrophobicContact CG2-CG 3.91Å
81A98.2Very high97.7Very high1 Ų159.3 Ų59.31%0.00827%0.266CS..Hα-helixtrans-56.7-45.7173.700000111.3F77 A83 F84 A85 S107 E110F77-A81 WeakPolarHBondContact O-CB 3.36Å; F77-A81 PolarHBondContact O-N 2.99Å; A81-A83 VanDerWaalsContact C-N 3.3Å; A81-A83 PolarHBondContact O-N 3.25Å; A81-F84 PolarHBondContact O-N 3.43Å; A81-A85 WeakPolarHBondContact O-CB 3.35Å; A81-A85 PolarHBondContact O-N 3.08Å; A81-S107 WeakPolarHBondContact CB-O 3.36Å; A81-S107 PolarHBondContact O-OG 3.3Å; A81-E110 HydrophobicContact CB-CB 3.98Å
82K97.8Very high97.7Very high103 Ų10354.4 Ų54.445%0.44825%0.249SC..Hα-helixtrans-59-38.2176.3-175-178.8-179.5-175.60112.9K78 L79 I80 R86K78-K82 WeakPolarHBondContact O-CB 3.5Å; K78-K82 PolarHBondContact O-N 3.45Å; L79-K82 WeakPolarHBondContact O-CB 3.45Å; L79-K82 PolarHBondContact O-N 2.95Å; I80-K82 VanDerWaalsContact C-N 3.33Å; I80-K82 PolarHBondContact O-N 2.95Å; K82-R86 PolarHBondContact O-N 2.87Å; K82-R86 VanDerWaalsContact O-N 3.08Å
83A98.4Very high97.7Very high0 Ų053.3 Ų53.30%024%0.242CC..Hα-helixtrans-65.2-47.7175.300000111.4T44 C63 A66 V67 L79 I80 A81 A85 R86 A87T44-A83 HydrophobicContact CG2-CB 3.9Å; C63-A83 WeakPolarHBondContact CB-O 3.17Å; C63-A83 PolarHBondContact SG-O 3.17Å; A66-A83 HydrophobicContact CB-CB 4.12Å; V67-A83 HydrophobicContact CG2-CB 3.79Å; L79-A83 PolarHBondContact O-N 3.49Å; I80-A83 WeakPolarHBondContact O-CB 3.5Å; I80-A83 PolarHBondContact O-N 3.22Å; I80-A83 VanDerWaalsContact O-N 3.14Å; A81-A83 VanDerWaalsContact C-N 3.3Å; A81-A83 PolarHBondContact O-N 3.25Å; A83-A85 PolarHBondContact O-N 3.5Å; A83-R86 PolarHBondContact O-N 3.2Å; A83-A87 PolarHBondContact O-N 3.32Å; A83-A87 VanDerWaalsContact O-N 3.08Å
84F98.7Very high97.8Very high10 Ų1053.9 Ų53.94%0.04424%0.241CC..Hα-helixtrans-62.3-42.3175.4-76-50.7000112.9V67 I80 A81 R86 A87 A88 Y103 K106 E110V67-F84 HydrophobicContact CB-CE1 4.48Å; V67-F84 HydrophobicContact CB-CZ 4.3Å; V67-F84 HydrophobicContact CG1-CE1 4.18Å; V67-F84 HydrophobicContact CG1-CE2 4.03Å; V67-F84 HydrophobicContact CG1-CZ 3.58Å; V67-F84 HydrophobicContact CG2-CD1 4.05Å; V67-F84 HydrophobicContact CG2-CD2 4.23Å; V67-F84 HydrophobicContact CG2-CE1 3.82Å; V67-F84 HydrophobicContact CG2-CE2 4.03Å; V67-F84 HydrophobicContact CG2-CG 4.25Å; V67-F84 HydrophobicContact CG2-CZ 3.84Å; I80-F84 HydrophobicContact CG2-CD2 4.02Å; I80-F84 HydrophobicContact CG2-CE2 3.77Å; I80-F84 PolarHBondContact O-N 3.08Å; A81-F84 PolarHBondContact O-N 3.43Å; F84-R86 VanDerWaalsContact C-N 3.32Å; F84-R86 PolarHBondContact O-N 3.06Å; F84-A87 PolarHBondContact O-N 2.82Å; F84-A88 PolarHBondContact O-N 3.32Å; F84-Y103 AromaticContact CD1-CD1 3.83Å; F84-Y103 HydrophobicContact CD1-CD1 3.83Å; F84-Y103 HydrophobicContact CD1-CE1 4.22Å; F84-K106 HydrophobicContact CB-CB 4.42Å; F84-K106 HydrophobicContact CD1-CB 4.02Å; F84-K106 HydrophobicContact CD1-CD 3.96Å; F84-K106 HydrophobicContact CD2-CB 4.01Å; F84-K106 HydrophobicContact CE1-CB 4.22Å; F84-K106 HydrophobicContact CE1-CD 3.64Å; F84-K106 HydrophobicContact CE2-CB 4.19Å; F84-K106 HydrophobicContact CG-CB 3.91Å; F84-K106 HydrophobicContact CZ-CB 4.27Å; F84-K106 HydrophobicContact CZ-CD 4.08Å; F84-E110 HydrophobicContact CD2-CG 3.88Å; F84-E110 HydrophobicContact CE2-CG 3.82Å
85A98.6Very high97.8Very high7 Ų749.4 Ų49.46%0.05823%0.23CC..Hα-helixtrans-59.7-42.3176.700000111.6A81 A83 A88 H89 V116A81-A85 WeakPolarHBondContact O-CB 3.35Å; A81-A85 PolarHBondContact O-N 3.08Å; A83-A85 PolarHBondContact O-N 3.5Å; A85-A88 WeakPolarHBondContact O-CB 3.47Å; A85-A88 PolarHBondContact O-N 2.81Å; A85-H89 PolarHBondContact O-CD2 3.05Å; A85-H89 PolarHBondContact O-N 3.04Å; A85-V116 HydrophobicContact CB-CG1 4.31Å; A85-V116 HydrophobicContact CB-CG2 3.82Å
86R98.5Very high97.8Very high30 Ų3050.9 Ų50.911%0.11324%0.235CC..Hα-helixtrans-64.8-42.3176.1-171.4179.6-63.5109.9-12.8112.4T44 K82 A83 F84 A88 H89 A90T44-R86 PolarHBondContact O-NH1 3.34Å; T44-R86 PolarHBondContact O-NH2 3.33Å; K82-R86 PolarHBondContact O-N 2.87Å; K82-R86 VanDerWaalsContact O-N 3.08Å; A83-R86 PolarHBondContact O-N 3.2Å; F84-R86 VanDerWaalsContact C-N 3.32Å; F84-R86 PolarHBondContact O-N 3.06Å; R86-A88 VanDerWaalsContact C-N 3.29Å; R86-A88 PolarHBondContact O-N 3.14Å; R86-H89 PolarHBondContact O-N 3.4Å; R86-A90 PolarHBondContact O-N 3.33Å
87A98.7Very high97.9Very high0 Ų047.8 Ų47.80%022%0.217CC..Hα-helixtrans-60.8-40.217300000111.6V60 C63 A83 F84 H89 A90 F91 Y103V60-A87 HydrophobicContact CG1-CB 4.49Å; V60-A87 HydrophobicContact CG2-CB 4.27Å; C63-A87 HydrophobicContact CB-CB 3.92Å; A83-A87 PolarHBondContact O-N 3.32Å; A83-A87 VanDerWaalsContact O-N 3.08Å; F84-A87 PolarHBondContact O-N 2.82Å; A87-H89 PolarHBondContact O-N 3.39Å; A87-A90 WeakPolarHBondContact O-CB 3.42Å; A87-A90 PolarHBondContact O-N 2.9Å; A87-F91 WeakPolarHBondContact O-CD2 3.4Å; A87-F91 PolarHBondContact O-N 2.97Å; A87-Y103 HydrophobicContact CB-CD1 3.44Å; A87-Y103 VanDerWaalsContact CB-CD1 3.44Å; A87-Y103 HydrophobicContact CB-CE1 3.88Å; A87-Y103 HydrophobicContact CB-CG 4.19Å
88A98.7Very high97.9Very high0 Ų045.6 Ų45.60%022%0.216CC..Hα-helixtrans-59.6-45.9174.300000112.1F84 A85 R86 A90 F91 E92 A100 Y104F84-A88 PolarHBondContact O-N 3.32Å; A85-A88 WeakPolarHBondContact O-CB 3.47Å; A85-A88 PolarHBondContact O-N 2.81Å; R86-A88 VanDerWaalsContact C-N 3.29Å; R86-A88 PolarHBondContact O-N 3.14Å; A88-A90 VanDerWaalsContact C-N 3.32Å; A88-A90 PolarHBondContact O-N 3.02Å; A88-F91 PolarHBondContact O-N 2.94Å; A88-E92 PolarHBondContact O-N 2.68Å; A88-A100 WeakPolarHBondContact O-CB 3.16Å; A88-Y104 HydrophobicContact CB-CD1 3.63Å; A88-Y104 HydrophobicContact CB-CD2 3.86Å; A88-Y104 HydrophobicContact CB-CE1 3.67Å; A88-Y104 HydrophobicContact CB-CE2 3.92Å; A88-Y104 HydrophobicContact CB-CG 3.71Å
89H98.4Very high97.9Very high52 Ų5241.1 Ų41.124%0.24120%0.2CC..Hα-helixtrans-61.8-38.2174.9-68.6-57.7000112.6Y51 A85 R86 A87 E92 K93 Y104Y51-H89 HydrophobicContact CE2-CB 3.77Å; A85-H89 PolarHBondContact O-CD2 3.05Å; A85-H89 PolarHBondContact O-N 3.04Å; R86-H89 PolarHBondContact O-N 3.4Å; A87-H89 PolarHBondContact O-N 3.39Å; H89-E92 PolarHBondContact O-N 3.14Å; H89-K93 WeakPolarHBondContact O-CG 3.3Å; H89-K93 PolarHBondContact O-N 2.91Å; H89-Y104 PolarHBondContact CE1-OH 3.45Å; H89-Y104 PolarHBondContact ND1-OH 3.24Å
90A98.6Very high98Very high0 Ų038.5 Ų38.50%019%0.187CC..Hα-helixtrans-64.1-43.6175.700000111.8Y51 Y56 C59 V60 R86 A87 A88 E92 K93 K94Y51-A90 HydrophobicContact CD2-CB 4.19Å; Y56-A90 HydrophobicContact CD1-CB 4.15Å; C59-A90 HydrophobicContact CB-CB 4.32Å; V60-A90 HydrophobicContact CG2-CB 3.8Å; R86-A90 PolarHBondContact O-N 3.33Å; A87-A90 WeakPolarHBondContact O-CB 3.42Å; A87-A90 PolarHBondContact O-N 2.9Å; A88-A90 VanDerWaalsContact C-N 3.32Å; A88-A90 PolarHBondContact O-N 3.02Å; A90-E92 VanDerWaalsContact C-N 3.35Å; A90-K93 PolarHBondContact O-N 3.28Å; A90-K94 WeakPolarHBondContact O-CG 3.29Å; A90-K94 PolarHBondContact O-N 3.29Å; A90-K94 VanDerWaalsContact O-N 3.17Å
91F98.6Very high98Very high21 Ų2141.2 Ų41.29%0.09220%0.198CC..Hα-helixtrans-63.9-38173-76.7-64.2000112.6V60 A87 A88 K93 K94 E95 D96 A100 Y103V60-F91 HydrophobicContact CB-CE2 4.45Å; V60-F91 HydrophobicContact CB-CZ 4.48Å; V60-F91 HydrophobicContact CG1-CE2 3.75Å; V60-F91 HydrophobicContact CG1-CZ 3.76Å; V60-F91 HydrophobicContact CG2-CD2 4.12Å; V60-F91 HydrophobicContact CG2-CE1 4.5Å; V60-F91 HydrophobicContact CG2-CE2 3.77Å; V60-F91 HydrophobicContact CG2-CZ 4Å; A87-F91 WeakPolarHBondContact O-CD2 3.4Å; A87-F91 PolarHBondContact O-N 2.97Å; A88-F91 PolarHBondContact O-N 2.94Å; F91-K93 VanDerWaalsContact C-N 3.32Å; F91-K93 PolarHBondContact O-N 2.89Å; F91-K94 CarbonylContact O-C 3.48Å; F91-K94 PolarHBondContact O-N 2.49Å; F91-K94 VanDerWaalsContact O-N 3.16Å; F91-E95 PolarHBondContact O-N 3.04Å; F91-D96 HydrophobicContact CD1-CB 4.12Å; F91-D96 PolarHBondContact O-N 3.07Å; F91-A100 HydrophobicContact CB-CB 3.73Å; F91-Y103 AromaticContact CD2-CD2 3.77Å; F91-Y103 HydrophobicContact CD2-CD2 3.77Å; F91-Y103 HydrophobicContact CD2-CE2 4.07Å; F91-Y103 HydrophobicContact CD2-CG 4.17Å; F91-Y103 HydrophobicContact CE2-CD1 4.4Å; F91-Y103 AromaticContact CE2-CD2 3.5Å; F91-Y103 HydrophobicContact CE2-CD2 3.5Å; F91-Y103 HydrophobicContact CE2-CE1 4.23Å; F91-Y103 AromaticContact CE2-CE2 3.31Å; F91-Y103 HydrophobicContact CE2-CE2 3.31Å; F91-Y103 HydrophobicContact CE2-CG 4.07Å; F91-Y103 AromaticContact CE2-CZ 3.71Å; F91-Y103 HydrophobicContact CZ-CE2 4Å
92E97.8Very high98Very high41 Ų4146.9 Ų46.919%0.19222%0.223CC..Hα-helixtrans-62.4-39.8175.3-170.3-176.8176.800111.4A88 H89 A90 K94 E95 Y97 A100 Y104 L123 R126A88-E92 PolarHBondContact O-N 2.68Å; H89-E92 PolarHBondContact O-N 3.14Å; A90-E92 VanDerWaalsContact C-N 3.35Å; E92-K94 VanDerWaalsContact C-N 3.27Å; E92-K94 PolarHBondContact O-N 2.86Å; E92-E95 PolarHBondContact O-N 3.48Å; E92-Y97 HydrophobicContact CG-CE1 4.3Å; E92-A100 HydrophobicContact CB-CB 4.2Å; E92-Y104 PolarHBondContact OE2-OH 3.13Å; E92-L123 HydrophobicContact CG-CD1 4.34Å; E92-R126 IonicContact OE1-CZ 3.95Å; E92-R126 IonicContact OE1-NH1 2.74Å; E92-R126 PolarHBondContact OE1-NH1 3.22Å; E92-R126 IonicContact OE1-NH2 2.95Å; E92-R126 PolarHBondContact OE1-NH2 2.67Å
93K97.7Very high98.1Very high120 Ų12042.8 Ų42.852%0.52221%0.205SC..Hα-helixtrans-66.1-27175-70.5-67.9-179.4-1770113.8Y51 Y56 H89 A90 F91 E95Y51-K93 HydrophobicContact CE2-CG 4.02Å; Y51-K93 VanDerWaalsContact OH-CE 3.3Å; Y51-K93 WeakPolarHBondContact OH-CE 3.34Å; Y56-K93 HydrophobicContact CD1-CB 4.08Å; Y56-K93 HydrophobicContact CD2-CB 4Å; Y56-K93 HydrophobicContact CE1-CB 3.66Å; Y56-K93 HydrophobicContact CE1-CG 3.82Å; Y56-K93 HydrophobicContact CE2-CB 3.55Å; Y56-K93 HydrophobicContact CE2-CG 4.43Å; Y56-K93 HydrophobicContact CG-CB 4.26Å; H89-K93 WeakPolarHBondContact O-CG 3.3Å; H89-K93 PolarHBondContact O-N 2.91Å; A90-K93 PolarHBondContact O-N 3.28Å; F91-K93 VanDerWaalsContact C-N 3.32Å; F91-K93 PolarHBondContact O-N 2.89Å; K93-E95 VanDerWaalsContact C-N 3.26Å
94K97.3Very high98.1Very high85 Ų8542.8 Ų42.837%0.3721%0.205SC..THydrogen-bonded Turntrans-82.9-0.6172.4-67177.164.6-171.70113.5Y56 D57 A90 F91 E92 D96Y56-K94 HydrophobicContact CD2-CG 3.84Å; Y56-K94 HydrophobicContact CG-CG 4.12Å; D57-K94 WeakPolarHBondContact OD1-CE 3.45Å; D57-K94 IonicContact OD1-NZ 3.64Å; D57-K94 PolarHBondContact OD1-NZ 2.99Å; A90-K94 WeakPolarHBondContact O-CG 3.29Å; A90-K94 PolarHBondContact O-N 3.29Å; A90-K94 VanDerWaalsContact O-N 3.17Å; F91-K94 CarbonylContact O-C 3.48Å; F91-K94 PolarHBondContact O-N 2.49Å; F91-K94 VanDerWaalsContact O-N 3.16Å; E92-K94 VanDerWaalsContact C-N 3.27Å; E92-K94 PolarHBondContact O-N 2.86Å; K94-D96 PolarHBondContact O-N 3.13Å; K94-D96 VanDerWaalsContact O-N 3.15Å
95E95.9Very high98.1Very high141 Ų14145.7 Ų45.766%0.65922%0.221SC*.THydrogen-bonded Turntrans58.318.8-171.2-52.8-171.3160.400114.2F91 E92 K93 Y97F91-E95 PolarHBondContact O-N 3.04Å; E92-E95 PolarHBondContact O-N 3.48Å; K93-E95 VanDerWaalsContact C-N 3.26Å; E95-Y97 VanDerWaalsContact C-N 3.27Å; E95-Y97 HydrophobicContact CB-CE1 4.34Å; E95-Y97 HydrophobicContact CB-CE2 4.48Å; E95-Y97 PolarHBondContact O-N 2.94Å; E95-Y97 VanDerWaalsContact O-N 3.07Å
96D97.4Very high98.1Very high53 Ų5348.4 Ų48.428%0.28323%0.231SC..  trans-86.171.8171.4-176.7-1000109.4F91 K94 S99 A100F91-D96 HydrophobicContact CD1-CB 4.12Å; F91-D96 PolarHBondContact O-N 3.07Å; K94-D96 PolarHBondContact O-N 3.13Å; K94-D96 VanDerWaalsContact O-N 3.15Å; D96-S99 PolarHBondContact O-N 3.41Å; D96-S99 WeakPolarHBondContact OD1-CB 3.26Å; D96-S99 PolarHBondContact OD1-N 2.84Å; D96-S99 PolarHBondContact OD1-OG 2.84Å; D96-S99 VanDerWaalsContact OD1-OG 3.13Å; D96-S99 WeakPolarHBondContact OD2-CB 3.32Å; D96-S99 PolarHBondContact OD2-OG 3.35Å; D96-A100 WeakPolarHBondContact O-CB 3.44Å; D96-A100 PolarHBondContact O-N 3.46Å
97Y97.1Very high98.1Very high23 Ų2347 Ų479%0.0923%0.226CC..Hα-helixtrans-61.7-37.8-176.1-54.9-41.4000114.6E92 E95 S99 A100 K101 L123 M127 Q130E92-Y97 HydrophobicContact CG-CE1 4.3Å; E95-Y97 VanDerWaalsContact C-N 3.27Å; E95-Y97 HydrophobicContact CB-CE1 4.34Å; E95-Y97 HydrophobicContact CB-CE2 4.48Å; E95-Y97 PolarHBondContact O-N 2.94Å; E95-Y97 VanDerWaalsContact O-N 3.07Å; Y97-S99 PolarHBondContact O-N 2.79Å; Y97-A100 PolarHBondContact O-N 3.05Å; Y97-K101 WeakPolarHBondContact O-CB 3.48Å; Y97-K101 PolarHBondContact O-N 3.38Å; Y97-L123 HydrophobicContact CD1-CD1 3.36Å; Y97-L123 HydrophobicContact CE1-CD1 4.12Å; Y97-L123 HydrophobicContact CG-CD1 3.81Å; Y97-M127 HydrophobicContact CG-CG 4.33Å; Y97-Q130 VanDerWaalsContact CD2-OE1 3.31Å; Y97-Q130 VanDerWaalsContact CE2-OE1 3.27Å
98P97.2Very high98Very high87 Ų8748.6 Ų48.657%0.56523%0.234SC*.Hα-helixtrans-58.2-45.2173.2-2636.2000112.7K102P98-K102 PolarHBondContact O-N 3.18Å; P98-K102 VanDerWaalsContact O-N 3.13Å
99S98.2Very high98Very high31 Ų3153.1 Ų53.122%0.21727%0.266CS..Hα-helixtrans-66.9-44.5175.1-63.10000111.2D96 Y97 K101 K102 Y103D96-S99 PolarHBondContact O-N 3.41Å; D96-S99 WeakPolarHBondContact OD1-CB 3.26Å; D96-S99 PolarHBondContact OD1-N 2.84Å; D96-S99 PolarHBondContact OD1-OG 2.84Å; D96-S99 VanDerWaalsContact OD1-OG 3.13Å; D96-S99 WeakPolarHBondContact OD2-CB 3.32Å; D96-S99 PolarHBondContact OD2-OG 3.35Å; Y97-S99 PolarHBondContact O-N 2.79Å; S99-K101 VanDerWaalsContact C-N 3.3Å; S99-K101 PolarHBondContact O-N 3.2Å; S99-K102 WeakPolarHBondContact O-CB 3.47Å; S99-K102 PolarHBondContact O-N 3.46Å; S99-K102 VanDerWaalsContact O-N 3.12Å; S99-Y103 VanDerWaalsContact O-CD2 3.29Å; S99-Y103 WeakPolarHBondContact O-CD2 3.42Å; S99-Y103 PolarHBondContact O-N 2.95Å
100A98.5Very high97.9Very high0 Ų052.6 Ų52.60%026%0.264CS..Hα-helixtrans-55.2-46.2177.100000111.8A88 F91 E92 D96 Y97 K102 Y103 Y104 L123A88-A100 WeakPolarHBondContact O-CB 3.16Å; F91-A100 HydrophobicContact CB-CB 3.73Å; E92-A100 HydrophobicContact CB-CB 4.2Å; D96-A100 WeakPolarHBondContact O-CB 3.44Å; D96-A100 PolarHBondContact O-N 3.46Å; Y97-A100 PolarHBondContact O-N 3.05Å; A100-K102 PolarHBondContact O-N 3.31Å; A100-Y103 PolarHBondContact O-N 2.91Å; A100-Y104 VanDerWaalsContact O-CD2 3.24Å; A100-Y104 WeakPolarHBondContact O-CD2 3.47Å; A100-Y104 PolarHBondContact O-N 3.04Å; A100-L123 HydrophobicContact CB-CD1 4.48Å; A100-L123 HydrophobicContact CB-CD2 3.62Å
101K98.2Very high97.8Very high61 Ų6153.7 Ų53.727%0.26527%0.271SS..Hα-helixtrans-59-48176.5-171.3-170.5-173.8-54.30111.4Y97 S99 Y103 Y104 D105 L123 E124 M127Y97-K101 WeakPolarHBondContact O-CB 3.48Å; Y97-K101 PolarHBondContact O-N 3.38Å; S99-K101 VanDerWaalsContact C-N 3.3Å; S99-K101 PolarHBondContact O-N 3.2Å; K101-Y103 VanDerWaalsContact C-N 3.27Å; K101-Y103 PolarHBondContact O-N 3.19Å; K101-Y104 PolarHBondContact O-N 3.3Å; K101-D105 IonicContact NZ-OD1 2.69Å; K101-D105 PolarHBondContact NZ-OD1 2.87Å; K101-D105 IonicContact NZ-OD2 3.46Å; K101-D105 PolarHBondContact NZ-OD2 3.46Å; K101-D105 VanDerWaalsContact O-CG 3.28Å; K101-D105 PolarHBondContact O-N 2.74Å; K101-L123 HydrophobicContact CB-CD2 3.98Å; K101-E124 VanDerWaalsContact CE-OE1 3.26Å; K101-E124 WeakPolarHBondContact CE-OE1 3.39Å; K101-E124 IonicContact NZ-OE1 3.81Å; K101-E124 PolarHBondContact NZ-OE1 2.88Å; K101-M127 HydrophobicContact CB-SD 4.27Å; K101-M127 HydrophobicContact CD-SD 4.47Å
102K98.5Very high97.7Very high120 Ų12062.5 Ų62.552%0.52230%0.304SS..Hα-helixtrans-55.6-41177.9179.6-176.2178.2-175.70112P98 S99 A100 K106P98-K102 PolarHBondContact O-N 3.18Å; P98-K102 VanDerWaalsContact O-N 3.13Å; S99-K102 WeakPolarHBondContact O-CB 3.47Å; S99-K102 PolarHBondContact O-N 3.46Å; S99-K102 VanDerWaalsContact O-N 3.12Å; A100-K102 PolarHBondContact O-N 3.31Å; K102-K106 WeakPolarHBondContact O-CG 3.42Å; K102-K106 PolarHBondContact O-N 2.93Å; K102-K106 VanDerWaalsContact O-N 3.11Å
103Y98.6Very high97.5Very high16 Ų1663.5 Ų63.56%0.06331%0.308CS..Hα-helixtrans-78.2-32179.5-78.9-105.9000112.9E64 F84 A87 F91 S99 A100 K101 K106 S107E64-Y103 HydrophobicContact CG-CE1 4.39Å; E64-Y103 PolarHBondContact OE1-OH 3.28Å; F84-Y103 AromaticContact CD1-CD1 3.83Å; F84-Y103 HydrophobicContact CD1-CD1 3.83Å; F84-Y103 HydrophobicContact CD1-CE1 4.22Å; A87-Y103 HydrophobicContact CB-CD1 3.44Å; A87-Y103 VanDerWaalsContact CB-CD1 3.44Å; A87-Y103 HydrophobicContact CB-CE1 3.88Å; A87-Y103 HydrophobicContact CB-CG 4.19Å; F91-Y103 AromaticContact CD2-CD2 3.77Å; F91-Y103 HydrophobicContact CD2-CD2 3.77Å; F91-Y103 HydrophobicContact CD2-CE2 4.07Å; F91-Y103 HydrophobicContact CD2-CG 4.17Å; F91-Y103 HydrophobicContact CE2-CD1 4.4Å; F91-Y103 AromaticContact CE2-CD2 3.5Å; F91-Y103 HydrophobicContact CE2-CD2 3.5Å; F91-Y103 HydrophobicContact CE2-CE1 4.23Å; F91-Y103 AromaticContact CE2-CE2 3.31Å; F91-Y103 HydrophobicContact CE2-CE2 3.31Å; F91-Y103 HydrophobicContact CE2-CG 4.07Å; F91-Y103 AromaticContact CE2-CZ 3.71Å; F91-Y103 HydrophobicContact CZ-CE2 4Å; S99-Y103 VanDerWaalsContact O-CD2 3.29Å; S99-Y103 WeakPolarHBondContact O-CD2 3.42Å; S99-Y103 PolarHBondContact O-N 2.95Å; A100-Y103 PolarHBondContact O-N 2.91Å; K101-Y103 VanDerWaalsContact C-N 3.27Å; K101-Y103 PolarHBondContact O-N 3.19Å; Y103-K106 PolarHBondContact O-N 3.22Å; Y103-S107 WeakPolarHBondContact O-CB 3.49Å; Y103-S107 PolarHBondContact O-N 3.15Å
104Y98.6Very high97.5Very high1 Ų162.5 Ų62.50%0.00431%0.314CS..Hα-helixtrans-61.1-47.1168.4-80.6-52.3000111.9A88 H89 E92 A100 K101 K106 S107 L108 V116 A120 L123A88-Y104 HydrophobicContact CB-CD1 3.63Å; A88-Y104 HydrophobicContact CB-CD2 3.86Å; A88-Y104 HydrophobicContact CB-CE1 3.67Å; A88-Y104 HydrophobicContact CB-CE2 3.92Å; A88-Y104 HydrophobicContact CB-CG 3.71Å; H89-Y104 PolarHBondContact CE1-OH 3.45Å; H89-Y104 PolarHBondContact ND1-OH 3.24Å; E92-Y104 PolarHBondContact OE2-OH 3.13Å; A100-Y104 VanDerWaalsContact O-CD2 3.24Å; A100-Y104 WeakPolarHBondContact O-CD2 3.47Å; A100-Y104 PolarHBondContact O-N 3.04Å; K101-Y104 PolarHBondContact O-N 3.3Å; Y104-K106 VanDerWaalsContact C-N 3.31Å; Y104-K106 PolarHBondContact O-N 2.88Å; Y104-S107 WeakPolarHBondContact O-CB 3.24Å; Y104-S107 PolarHBondContact O-N 3.43Å; Y104-S107 VanDerWaalsContact O-N 3.15Å; Y104-L108 WeakPolarHBondContact O-CB 3.32Å; Y104-L108 WeakPolarHBondContact O-CG 3.46Å; Y104-L108 PolarHBondContact O-N 3.47Å; Y104-V116 HydrophobicContact CD1-CG1 3.65Å; Y104-V116 HydrophobicContact CE1-CG1 4.1Å; Y104-A120 HydrophobicContact CD1-CB 4.24Å; Y104-A120 HydrophobicContact CD2-CB 4.27Å; Y104-A120 HydrophobicContact CG-CB 3.87Å; Y104-L123 HydrophobicContact CD2-CD2 3.66Å; Y104-L123 HydrophobicContact CE2-CB 4.36Å; Y104-L123 HydrophobicContact CE2-CD2 3.84Å
105D98.3Very high97.5Very high71 Ų7163.1 Ų63.138%0.3832%0.322SS..Hα-helixtrans-59.5-43.6177.6-67.8-22.4000110.8K101 L108 S109K101-D105 IonicContact NZ-OD1 2.69Å; K101-D105 PolarHBondContact NZ-OD1 2.87Å; K101-D105 IonicContact NZ-OD2 3.46Å; K101-D105 PolarHBondContact NZ-OD2 3.46Å; K101-D105 VanDerWaalsContact O-CG 3.28Å; K101-D105 PolarHBondContact O-N 2.74Å; D105-L108 PolarHBondContact O-N 3.12Å; D105-S109 WeakPolarHBondContact O-CB 3.5Å; D105-S109 PolarHBondContact O-N 3.47Å
106K98.4Very high97.6Very high64 Ų6456.7 Ų56.728%0.27829%0.292SS..Hα-helixtrans-58.7-50.1172.4-74175.6178.8-176.60111.7F84 K102 Y103 Y104 L108 S109 E110F84-K106 HydrophobicContact CB-CB 4.42Å; F84-K106 HydrophobicContact CD1-CB 4.02Å; F84-K106 HydrophobicContact CD1-CD 3.96Å; F84-K106 HydrophobicContact CD2-CB 4.01Å; F84-K106 HydrophobicContact CE1-CB 4.22Å; F84-K106 HydrophobicContact CE1-CD 3.64Å; F84-K106 HydrophobicContact CE2-CB 4.19Å; F84-K106 HydrophobicContact CG-CB 3.91Å; F84-K106 HydrophobicContact CZ-CB 4.27Å; F84-K106 HydrophobicContact CZ-CD 4.08Å; K102-K106 WeakPolarHBondContact O-CG 3.42Å; K102-K106 PolarHBondContact O-N 2.93Å; K102-K106 VanDerWaalsContact O-N 3.11Å; Y103-K106 PolarHBondContact O-N 3.22Å; Y104-K106 VanDerWaalsContact C-N 3.31Å; Y104-K106 PolarHBondContact O-N 2.88Å; K106-L108 PolarHBondContact O-N 3.13Å; K106-S109 PolarHBondContact O-N 3.18Å; K106-S109 PolarHBondContact O-OG 3.45Å; K106-E110 WeakPolarHBondContact O-CG 3.41Å; K106-E110 PolarHBondContact O-N 3.01Å
107S98.5Very high97.6Very high0 Ų057.4 Ų57.40%029%0.294CS..Hα-helixtrans-56.6-48.2178.6-1800000112A81 Y103 Y104 S109 E110 S111A81-S107 WeakPolarHBondContact CB-O 3.36Å; A81-S107 PolarHBondContact O-OG 3.3Å; Y103-S107 WeakPolarHBondContact O-CB 3.49Å; Y103-S107 PolarHBondContact O-N 3.15Å; Y104-S107 WeakPolarHBondContact O-CB 3.24Å; Y104-S107 PolarHBondContact O-N 3.43Å; Y104-S107 VanDerWaalsContact O-N 3.15Å; S107-S109 VanDerWaalsContact C-N 3.26Å; S107-S109 PolarHBondContact O-N 3.03Å; S107-E110 PolarHBondContact O-N 3.11Å; S107-S111 PolarHBondContact O-N 2.78Å; S107-S111 VanDerWaalsContact O-O 3.12Å
108L98Very high97.7Very high33 Ų3364 Ų6417%0.17332%0.323CS..Hα-helixtrans-70.7-23-177.9-68.3172.1000112.7Y104 D105 K106 R112 V116 E117 A120Y104-L108 WeakPolarHBondContact O-CB 3.32Å; Y104-L108 WeakPolarHBondContact O-CG 3.46Å; Y104-L108 PolarHBondContact O-N 3.47Å; D105-L108 PolarHBondContact O-N 3.12Å; K106-L108 PolarHBondContact O-N 3.13Å; L108-R112 WeakPolarHBondContact O-CG 3.45Å; L108-V116 HydrophobicContact CD2-CB 4.08Å; L108-V116 HydrophobicContact CD2-CG1 3.88Å; L108-V116 HydrophobicContact CG-CG1 4.02Å; L108-E117 HydrophobicContact CD2-CB 4.15Å; L108-A120 HydrophobicContact CD1-CB 3.96Å
109S97.8Very high97.7Very high95 Ų9561.5 Ų61.566%0.66431%0.307SS*.Hα-helixtrans-73.2-33171.577.90000112.9D105 K106 S107D105-S109 WeakPolarHBondContact O-CB 3.5Å; D105-S109 PolarHBondContact O-N 3.47Å; K106-S109 PolarHBondContact O-N 3.18Å; K106-S109 PolarHBondContact O-OG 3.45Å; S107-S109 VanDerWaalsContact C-N 3.26Å; S107-S109 PolarHBondContact O-N 3.03Å
110E96.9Very high97.7Very high42 Ų4260.5 Ų60.520%0.19630%0.3CS..Hα-helixtrans-78.6-47.5176.5-63.4-73.9178.600110.9R71 I80 A81 F84 K106 S107R71-E110 IonicContact CZ-OE1 3.02Å; R71-E110 IonicContact NE-OE1 3.72Å; R71-E110 IonicContact NH2-OE1 2.71Å; R71-E110 PolarHBondContact NH2-OE1 2.93Å; I80-E110 HydrophobicContact CG2-CG 3.91Å; A81-E110 HydrophobicContact CB-CB 3.98Å; F84-E110 HydrophobicContact CD2-CG 3.88Å; F84-E110 HydrophobicContact CE2-CG 3.82Å; K106-E110 WeakPolarHBondContact O-CG 3.41Å; K106-E110 PolarHBondContact O-N 3.01Å; S107-E110 PolarHBondContact O-N 3.11Å
111S97.1Very high97.7Very high23 Ų2367.5 Ų67.516%0.16133%0.327CS..  trans-156.8123.8176.1-168.90000111.3S107 Q113S107-S111 PolarHBondContact O-N 2.78Å; S107-S111 VanDerWaalsContact O-O 3.12Å; S111-Q113 PolarHBondContact O-N 3.27Å; S111-Q113 VanDerWaalsContact O-N 3.15Å; S111-Q113 PolarHBondContact OG-NE2 3.15Å
112R96Very high97.7Very high206 Ų20667 Ų6778%0.77733%0.334SS*.  trans-73.9105.9175.5-67.3-173.8-178-168.41110.5L108L108-R112 WeakPolarHBondContact O-CG 3.45Å
113Q94.3Very high97.7Very high61 Ų6161.2 Ų61.229%0.28531%0.309SS..  trans-107.1127.8175.4-61.4-63.5-36.500109.3S111 D115 V116 E117S111-Q113 PolarHBondContact O-N 3.27Å; S111-Q113 VanDerWaalsContact O-N 3.15Å; S111-Q113 PolarHBondContact OG-NE2 3.15Å; Q113-D115 VanDerWaalsContact C-N 3.3Å; Q113-D115 VanDerWaalsContact CB-OD1 3.3Å; Q113-D115 WeakPolarHBondContact CB-OD1 3.42Å; Q113-D115 PolarHBondContact O-N 3.02Å; Q113-V116 HydrophobicContact CB-CB 4.15Å; Q113-V116 HydrophobicContact CB-CG2 3.82Å; Q113-V116 PolarHBondContact O-N 3.44Å; Q113-V116 VanDerWaalsContact O-N 3.13Å; Q113-E117 PolarHBondContact O-N 3.35Å
114P96.8Very high97.6Very high99 Ų9963.4 Ų63.464%0.64332%0.32SS*.Hα-helixtrans-58.8-35-173.7-27.835.2000115.1K118P114-K118 WeakPolarHBondContact O-CB 3.28Å; P114-K118 PolarHBondContact O-N 3.46Å
115D96.8Very high97.5Very high99 Ų9968.3 Ų68.353%0.52935%0.346SS..Hα-helixtrans-67.9-40.1176.461.3-46.7000112.2Q113 K118 S119Q113-D115 VanDerWaalsContact C-N 3.3Å; Q113-D115 VanDerWaalsContact CB-OD1 3.3Å; Q113-D115 WeakPolarHBondContact CB-OD1 3.42Å; Q113-D115 PolarHBondContact O-N 3.02Å; D115-K118 PolarHBondContact O-N 3.29Å; D115-S119 PolarHBondContact O-N 3.04Å; D115-S119 PolarHBondContact O-OG 3.19Å
116V97.8Very high97.4Very high5 Ų569.4 Ų69.43%0.0335%0.345CS..Hα-helixtrans-68.4-42.2175.1-177.10000110.5A85 Y104 L108 Q113 K118 S119 A120A85-V116 HydrophobicContact CB-CG1 4.31Å; A85-V116 HydrophobicContact CB-CG2 3.82Å; Y104-V116 HydrophobicContact CD1-CG1 3.65Å; Y104-V116 HydrophobicContact CE1-CG1 4.1Å; L108-V116 HydrophobicContact CD2-CB 4.08Å; L108-V116 HydrophobicContact CD2-CG1 3.88Å; L108-V116 HydrophobicContact CG-CG1 4.02Å; Q113-V116 HydrophobicContact CB-CB 4.15Å; Q113-V116 HydrophobicContact CB-CG2 3.82Å; Q113-V116 PolarHBondContact O-N 3.44Å; Q113-V116 VanDerWaalsContact O-N 3.13Å; V116-K118 VanDerWaalsContact C-N 3.33Å; V116-K118 PolarHBondContact O-N 3.45Å; V116-S119 PolarHBondContact O-N 2.92Å; V116-A120 WeakPolarHBondContact O-CB 3.37Å; V116-A120 PolarHBondContact O-N 3.45Å
117E98Very high97.4Very high69 Ų6968 Ų6832%0.32234%0.339SS..Hα-helixtrans-61.7-42.5176.5-174.2180172.900111.5L108 Q113 S119 A120 R121L108-E117 HydrophobicContact CD2-CB 4.15Å; Q113-E117 PolarHBondContact O-N 3.35Å; E117-S119 VanDerWaalsContact C-N 3.33Å; E117-S119 PolarHBondContact O-N 3.46Å; E117-A120 PolarHBondContact O-N 2.89Å; E117-R121 WeakPolarHBondContact O-CB 3.44Å; E117-R121 VanDerWaalsContact O-CG 3.28Å; E117-R121 WeakPolarHBondContact O-CG 3.49Å; E117-R121 PolarHBondContact O-N 2.97Å; E117-R121 IonicContact OE1-CZ 3.74Å; E117-R121 VanDerWaalsContact OE1-CZ 3.3Å; E117-R121 IonicContact OE1-NE 2.74Å; E117-R121 PolarHBondContact OE1-NE 3.04Å; E117-R121 VanDerWaalsContact OE1-NE 3.14Å; E117-R121 IonicContact OE1-NH2 3.62Å; E117-R121 PolarHBondContact OE1-NH2 3.46Å
118K98.4Very high97.3Very high162 Ų16273.7 Ų73.770%0.70436%0.364SS*.Hα-helixtrans-60-43.3174.2-175.7-178.6178.1-176.70111.6P114 D115 V116 A122P114-K118 WeakPolarHBondContact O-CB 3.28Å; P114-K118 PolarHBondContact O-N 3.46Å; D115-K118 PolarHBondContact O-N 3.29Å; V116-K118 VanDerWaalsContact C-N 3.33Å; V116-K118 PolarHBondContact O-N 3.45Å; K118-A122 WeakPolarHBondContact O-CB 3.43Å; K118-A122 PolarHBondContact O-N 2.97Å
119S97.9Very high97.1Very high34 Ų3475.9 Ų75.924%0.23837%0.374CS..Hα-helixtrans-67-45.3179.2-55.50000111.8D115 V116 E117 R121 A122 L123D115-S119 PolarHBondContact O-N 3.04Å; D115-S119 PolarHBondContact O-OG 3.19Å; V116-S119 PolarHBondContact O-N 2.92Å; E117-S119 VanDerWaalsContact C-N 3.33Å; E117-S119 PolarHBondContact O-N 3.46Å; S119-R121 PolarHBondContact O-N 2.84Å; S119-A122 WeakPolarHBondContact O-CB 3.41Å; S119-A122 PolarHBondContact O-N 3.41Å; S119-L123 PolarHBondContact O-N 2.97Å
120A98.3Very high97Very high9 Ų975.8 Ų75.87%0.07436%0.363CS..Hα-helixtrans-60-45.1176.400000112Y104 L108 V116 E117 A122 L123 E124Y104-A120 HydrophobicContact CD1-CB 4.24Å; Y104-A120 HydrophobicContact CD2-CB 4.27Å; Y104-A120 HydrophobicContact CG-CB 3.87Å; L108-A120 HydrophobicContact CD1-CB 3.96Å; V116-A120 WeakPolarHBondContact O-CB 3.37Å; V116-A120 PolarHBondContact O-N 3.45Å; E117-A120 PolarHBondContact O-N 2.89Å; A120-A122 VanDerWaalsContact C-N 3.34Å; A120-A122 PolarHBondContact O-N 2.92Å; A120-L123 WeakPolarHBondContact O-CB 3.48Å; A120-L123 PolarHBondContact O-N 3.5Å; A120-E124 WeakPolarHBondContact O-CG 3.44Å; A120-E124 PolarHBondContact O-N 3.41Å
121R98.1Very high96.9Very high148 Ų14880 Ų8056%0.55838%0.382SS*.Hα-helixtrans-62.3-39.9175.1-72.7173.2-178.4-127.29.2112.2E117 S119 E124 N125E117-R121 WeakPolarHBondContact O-CB 3.44Å; E117-R121 VanDerWaalsContact O-CG 3.28Å; E117-R121 WeakPolarHBondContact O-CG 3.49Å; E117-R121 PolarHBondContact O-N 2.97Å; E117-R121 IonicContact OE1-CZ 3.74Å; E117-R121 VanDerWaalsContact OE1-CZ 3.3Å; E117-R121 IonicContact OE1-NE 2.74Å; E117-R121 PolarHBondContact OE1-NE 3.04Å; E117-R121 VanDerWaalsContact OE1-NE 3.14Å; E117-R121 IonicContact OE1-NH2 3.62Å; E117-R121 PolarHBondContact OE1-NH2 3.46Å; S119-R121 PolarHBondContact O-N 2.84Å; R121-E124 PolarHBondContact O-N 3.21Å; R121-N125 VanDerWaalsContact O-CG 3.27Å; R121-N125 PolarHBondContact O-N 3.17Å; R121-N125 PolarHBondContact O-ND2 2.69Å
122A98.1Very high96.8Very high49 Ų4983.8 Ų83.841%0.40539%0.393SS..Hα-helixtrans-64.4-41.8176.500000111.8K118 S119 A120 N125 R126K118-A122 WeakPolarHBondContact O-CB 3.43Å; K118-A122 PolarHBondContact O-N 2.97Å; S119-A122 WeakPolarHBondContact O-CB 3.41Å; S119-A122 PolarHBondContact O-N 3.41Å; A120-A122 VanDerWaalsContact C-N 3.34Å; A120-A122 PolarHBondContact O-N 2.92Å; A122-N125 PolarHBondContact O-N 3.28Å; A122-R126 PolarHBondContact O-N 2.99Å
123L98.1Very high96.7Very high0 Ų078.2 Ų78.20%038%0.378CS..Hα-helixtrans-61.5-48.8174179.370.3000111.5E92 Y97 A100 K101 Y104 S119 A120 N125 R126 M127E92-L123 HydrophobicContact CG-CD1 4.34Å; Y97-L123 HydrophobicContact CD1-CD1 3.36Å; Y97-L123 HydrophobicContact CE1-CD1 4.12Å; Y97-L123 HydrophobicContact CG-CD1 3.81Å; A100-L123 HydrophobicContact CB-CD1 4.48Å; A100-L123 HydrophobicContact CB-CD2 3.62Å; K101-L123 HydrophobicContact CB-CD2 3.98Å; Y104-L123 HydrophobicContact CD2-CD2 3.66Å; Y104-L123 HydrophobicContact CE2-CB 4.36Å; Y104-L123 HydrophobicContact CE2-CD2 3.84Å; S119-L123 PolarHBondContact O-N 2.97Å; A120-L123 WeakPolarHBondContact O-CB 3.48Å; A120-L123 PolarHBondContact O-N 3.5Å; L123-N125 VanDerWaalsContact C-N 3.29Å; L123-N125 PolarHBondContact O-N 3.08Å; L123-R126 WeakPolarHBondContact O-CB 3.38Å; L123-R126 PolarHBondContact O-N 3.29Å; L123-R126 VanDerWaalsContact O-N 3.08Å; L123-M127 HydrophobicContact CD1-CG 4.5Å; L123-M127 HydrophobicContact CD2-SD 4.45Å; L123-M127 HydrophobicContact CG-CG 4.44Å; L123-M127 HydrophobicContact CG-SD 4.11Å; L123-M127 WeakPolarHBondContact O-CG 3.44Å; L123-M127 PolarHBondContact O-N 3.37Å
124E97.6Very high96.8Very high62 Ų6279.4 Ų79.429%0.2940%0.399SS..Hα-helixtrans-58.9-40.4178.6-74.9-173.7168.900112.2K101 A120 R121 M127 K128K101-E124 VanDerWaalsContact CE-OE1 3.26Å; K101-E124 WeakPolarHBondContact CE-OE1 3.39Å; K101-E124 IonicContact NZ-OE1 3.81Å; K101-E124 PolarHBondContact NZ-OE1 2.88Å; A120-E124 WeakPolarHBondContact O-CG 3.44Å; A120-E124 PolarHBondContact O-N 3.41Å; R121-E124 PolarHBondContact O-N 3.21Å; E124-M127 PolarHBondContact O-N 2.87Å; E124-K128 WeakPolarHBondContact O-CB 3.31Å; E124-K128 VanDerWaalsContact O-CG 3.31Å; E124-K128 WeakPolarHBondContact O-CG 3.46Å; E124-K128 PolarHBondContact O-N 3.45Å
125N97.5Very high96.8Very high104 Ų10478.7 Ų78.756%0.55638%0.384SS*.Hα-helixtrans-65.1-39.5175.3-71.4-20.8000111.9R121 A122 L123 K128 E129R121-N125 VanDerWaalsContact O-CG 3.27Å; R121-N125 PolarHBondContact O-N 3.17Å; R121-N125 PolarHBondContact O-ND2 2.69Å; A122-N125 PolarHBondContact O-N 3.28Å; L123-N125 VanDerWaalsContact C-N 3.29Å; L123-N125 PolarHBondContact O-N 3.08Å; N125-K128 PolarHBondContact O-N 3.34Å; N125-E129 WeakPolarHBondContact O-CB 3.25Å; N125-E129 PolarHBondContact O-N 2.97Å
126R96.3Very high96.8Very high94 Ų9477 Ų7736%0.35537%0.374SS..Hα-helixtrans-63.6-45.8175.4-171.1-176.7-60.4141.98.2111.4E92 A122 L123 E129 Q130E92-R126 IonicContact OE1-CZ 3.95Å; E92-R126 IonicContact OE1-NH1 2.74Å; E92-R126 PolarHBondContact OE1-NH1 3.22Å; E92-R126 IonicContact OE1-NH2 2.95Å; E92-R126 PolarHBondContact OE1-NH2 2.67Å; A122-R126 PolarHBondContact O-N 2.99Å; L123-R126 WeakPolarHBondContact O-CB 3.38Å; L123-R126 PolarHBondContact O-N 3.29Å; L123-R126 VanDerWaalsContact O-N 3.08Å; R126-E129 PolarHBondContact O-N 2.88Å; R126-Q130 WeakPolarHBondContact O-CG 3.29Å; R126-Q130 PolarHBondContact O-N 3.41Å
127M96.7Very high96.8Very high33 Ų3379.5 Ų79.516%0.16339%0.387CS..Hα-helixtrans-60.5-47.3177.1-68.317671.900111.3Y97 K101 L123 E124 E129 Q130 E131Y97-M127 HydrophobicContact CG-CG 4.33Å; K101-M127 HydrophobicContact CB-SD 4.27Å; K101-M127 HydrophobicContact CD-SD 4.47Å; L123-M127 HydrophobicContact CD1-CG 4.5Å; L123-M127 HydrophobicContact CD2-SD 4.45Å; L123-M127 HydrophobicContact CG-CG 4.44Å; L123-M127 HydrophobicContact CG-SD 4.11Å; L123-M127 WeakPolarHBondContact O-CG 3.44Å; L123-M127 PolarHBondContact O-N 3.37Å; E124-M127 PolarHBondContact O-N 2.87Å; M127-E129 VanDerWaalsContact C-N 3.3Å; M127-E129 PolarHBondContact O-N 3.48Å; M127-Q130 PolarHBondContact O-N 2.87Å; M127-E131 WeakPolarHBondContact O-CG 3.44Å; M127-E131 PolarHBondContact O-N 3.37Å
128K96.1Very high96.8Very high121 Ų12179.9 Ų79.953%0.52640%0.395SS..Hα-helixtrans-59.8-39.5176.5-75.1173.6-176.2169.10112.6E124 N125 R132E124-K128 WeakPolarHBondContact O-CB 3.31Å; E124-K128 VanDerWaalsContact O-CG 3.31Å; E124-K128 WeakPolarHBondContact O-CG 3.46Å; E124-K128 PolarHBondContact O-N 3.45Å; N125-K128 PolarHBondContact O-N 3.34Å; K128-R132 VanDerWaalsContact O-CB 3.31Å; K128-R132 WeakPolarHBondContact O-CB 3.37Å; K128-R132 PolarHBondContact O-N 2.73Å
129E95Very high96.8Very high79 Ų7979.4 Ų79.437%0.36940%0.396SS..Hα-helixtrans-69.1-40.2177179.858.6-171.800111.9N125 R126 M127 R132 L133N125-E129 WeakPolarHBondContact O-CB 3.25Å; N125-E129 PolarHBondContact O-N 2.97Å; R126-E129 PolarHBondContact O-N 2.88Å; M127-E129 VanDerWaalsContact C-N 3.3Å; M127-E129 PolarHBondContact O-N 3.48Å; E129-R132 WeakPolarHBondContact O-CB 3.5Å; E129-R132 PolarHBondContact O-N 3.14Å; E129-R132 IonicContact OE1-CZ 2.95Å; E129-R132 IonicContact OE1-NE 3.11Å; E129-R132 PolarHBondContact OE1-NE 3.28Å; E129-R132 IonicContact OE1-NH2 2.62Å; E129-R132 PolarHBondContact OE1-NH2 2.9Å; E129-R132 IonicContact OE2-CZ 3.31Å; E129-R132 IonicContact OE2-NE 2.85Å; E129-R132 PolarHBondContact OE2-NE 2.88Å; E129-R132 IonicContact OE2-NH2 2.7Å; E129-L133 HydrophobicContact CG-CD1 4.11Å; E129-L133 HydrophobicContact CG-CG 4.44Å; E129-L133 WeakPolarHBondContact O-CB 3.4Å; E129-L133 VanDerWaalsContact O-CG 3.29Å; E129-L133 WeakPolarHBondContact O-CG 3.48Å; E129-L133 PolarHBondContact O-N 3.3Å
130Q94.8Very high96.8Very high92 Ų9281 Ų8143%0.4340%0.4SS..Hα-helixtrans-62.4-44.8173.8-75.1-172.7-28.500112Y97 R126 M127 R132 L133 A134Y97-Q130 VanDerWaalsContact CD2-OE1 3.31Å; Y97-Q130 VanDerWaalsContact CE2-OE1 3.27Å; R126-Q130 WeakPolarHBondContact O-CG 3.29Å; R126-Q130 PolarHBondContact O-N 3.41Å; M127-Q130 PolarHBondContact O-N 2.87Å; Q130-R132 VanDerWaalsContact C-N 3.33Å; Q130-R132 PolarHBondContact O-N 3.45Å; Q130-L133 PolarHBondContact O-N 3.22Å; Q130-A134 VanDerWaalsContact O-CB 3.25Å; Q130-A134 WeakPolarHBondContact O-CB 3.39Å; Q130-A134 PolarHBondContact O-N 3.21Å
131E94.7Very high96.8Very high130 Ų13080.6 Ų80.661%0.60740%0.397SS*.Hα-helixtrans-59.4-44.6173.7-73.3173.7-176.200111.2M127 A134 Y135M127-E131 WeakPolarHBondContact O-CG 3.44Å; M127-E131 PolarHBondContact O-N 3.37Å; E131-A134 PolarHBondContact O-N 2.97Å; E131-Y135 WeakPolarHBondContact O-CB 3.36Å; E131-Y135 PolarHBondContact O-N 3.42Å
132R94.9Very high96.8Very high104 Ų10477.6 Ų77.639%0.39239%0.389SS..Hα-helixtrans-60.7-47.6177.6-170.6-165.871.677.9-1.3111.6K128 E129 Q130 Y135 I136K128-R132 VanDerWaalsContact O-CB 3.31Å; K128-R132 WeakPolarHBondContact O-CB 3.37Å; K128-R132 PolarHBondContact O-N 2.73Å; E129-R132 WeakPolarHBondContact O-CB 3.5Å; E129-R132 PolarHBondContact O-N 3.14Å; E129-R132 IonicContact OE1-CZ 2.95Å; E129-R132 IonicContact OE1-NE 3.11Å; E129-R132 PolarHBondContact OE1-NE 3.28Å; E129-R132 IonicContact OE1-NH2 2.62Å; E129-R132 PolarHBondContact OE1-NH2 2.9Å; E129-R132 IonicContact OE2-CZ 3.31Å; E129-R132 IonicContact OE2-NE 2.85Å; E129-R132 PolarHBondContact OE2-NE 2.88Å; E129-R132 IonicContact OE2-NH2 2.7Å; Q130-R132 VanDerWaalsContact C-N 3.33Å; Q130-R132 PolarHBondContact O-N 3.45Å; R132-Y135 WeakPolarHBondContact O-CB 3.48Å; R132-Y135 PolarHBondContact O-N 2.95Å; R132-I136 PolarHBondContact O-N 2.75Å
133L95Very high96.8Very high88 Ų8879.7 Ų79.746%0.46139%0.392SS..Hα-helixtrans-65.4-42.2179.1-71.5172.8000111.7E129 Q130 Y135 I136E129-L133 HydrophobicContact CG-CD1 4.11Å; E129-L133 HydrophobicContact CG-CG 4.44Å; E129-L133 WeakPolarHBondContact O-CB 3.4Å; E129-L133 VanDerWaalsContact O-CG 3.29Å; E129-L133 WeakPolarHBondContact O-CG 3.48Å; E129-L133 PolarHBondContact O-N 3.3Å; Q130-L133 PolarHBondContact O-N 3.22Å; L133-Y135 PolarHBondContact O-N 3.1Å; L133-I136 HydrophobicContact CD2-CD1 3.94Å; L133-I136 WeakPolarHBondContact O-CB 3.42Å; L133-I136 PolarHBondContact O-N 3.46Å; L133-I136 VanDerWaalsContact O-N 3.14Å
134A95.8Very high96.9Very high87 Ų8780.8 Ų80.872%0.71940%0.397SS*.Hα-helixtrans-65.4-23.5175.300000112.7Q130 E131 I136Q130-A134 VanDerWaalsContact O-CB 3.25Å; Q130-A134 WeakPolarHBondContact O-CB 3.39Å; Q130-A134 PolarHBondContact O-N 3.21Å; E131-A134 PolarHBondContact O-N 2.97Å; A134-I136 VanDerWaalsContact C-N 3.34Å
135Y96.7Very high96.9Very high84 Ų8479 Ų7933%0.32939%0.388SS..Hα-helixtrans-76.5-20.8175.8-151.6-108000113.4E131 R132 L133 N137 E166 K169 R170E131-Y135 WeakPolarHBondContact O-CB 3.36Å; E131-Y135 PolarHBondContact O-N 3.42Å; R132-Y135 WeakPolarHBondContact O-CB 3.48Å; R132-Y135 PolarHBondContact O-N 2.95Å; L133-Y135 PolarHBondContact O-N 3.1Å; Y135-N137 PolarHBondContact O-N 2.67Å; Y135-E166 VanDerWaalsContact CE1-OE1 3.23Å; Y135-E166 WeakPolarHBondContact CE1-OE1 3.26Å; Y135-E166 VanDerWaalsContact CZ-OE1 3.29Å; Y135-E166 PolarHBondContact OH-OE1 3.31Å; Y135-E166 PolarHBondContact OH-OE2 2.87Å; Y135-K169 HydrophobicContact CD1-CB 3.75Å; Y135-K169 HydrophobicContact CE1-CB 3.72Å; Y135-K169 HydrophobicContact CE1-CD 4.09Å; Y135-R170 HydrophobicContact CD1-CG 4.49Å; Y135-R170 HydrophobicContact CE1-CG 4.35Å; Y135-R170 VanDerWaalsContact CE2-CZ 3.44Å; Y135-R170 VanDerWaalsContact CE2-NH2 3.29Å; Y135-R170 WeakPolarHBondContact O-CD 3.4Å; Y135-R170 PolarHBondContact O-NH1 3.14Å; Y135-R170 PolarHBondContact OH-NH2 3.25Å
136I97.8Very high97Very high63 Ų6377.1 Ų77.132%0.32338%0.38SS..  trans-64.3122.3-178.4-63.7177.3000109.6R132 L133 A134 R170 P172R132-I136 PolarHBondContact O-N 2.75Å; L133-I136 HydrophobicContact CD2-CD1 3.94Å; L133-I136 WeakPolarHBondContact O-CB 3.42Å; L133-I136 PolarHBondContact O-N 3.46Å; L133-I136 VanDerWaalsContact O-N 3.14Å; A134-I136 VanDerWaalsContact C-N 3.34Å; I136-R170 CarbonylContact C-O 3.51Å; I136-R170 VanDerWaalsContact CA-O 3.29Å; I136-R170 WeakPolarHBondContact CA-O 3.48Å; I136-R170 WeakPolarHBondContact CG2-O 3.31Å; I136-P172 HydrophobicContact CD1-CG 4.49Å
137N98Very high97.1Very high58 Ų5876.9 Ų76.931%0.3138%0.382SS..  trans-15499.3175.6-177.3-38.5000108.6Y135 E139 M140 S141 R170Y135-N137 PolarHBondContact O-N 2.67Å; N137-E139 VanDerWaalsContact C-N 3.26Å; N137-E139 PolarHBondContact O-N 3.26Å; N137-E139 WeakPolarHBondContact OD1-CB 3.29Å; N137-E139 PolarHBondContact OD1-N 2.8Å; N137-E139 VanDerWaalsContact OD1-N 3.1Å; N137-M140 HydrophobicContact CB-CB 3.96Å; N137-M140 HydrophobicContact CB-CG 4.01Å; N137-M140 VanDerWaalsContact CG-CG 3.43Å; N137-M140 WeakPolarHBondContact ND2-CG 3.33Å; N137-M140 PolarHBondContact O-N 2.8Å; N137-M140 PolarHBondContact OD1-N 2.83Å; N137-S141 PolarHBondContact O-N 3.39Å; N137-R170 CarbonylContact C-O 3.25Å; N137-R170 PolarHBondContact N-O 3.05Å; N137-R170 WeakPolarHBondContact O-CB 3.4Å
138P97.8Very high97.2Very high76 Ų7675.3 Ų75.349%0.49437%0.374SS..Hα-helixtrans-59.2-30.9-178.1-27.936.8000114.7S141 E142P138-S141 WeakPolarHBondContact O-CB 3.46Å; P138-S141 PolarHBondContact O-N 3.05Å; P138-E142 PolarHBondContact O-N 3.29Å
139E98Very high97.3Very high153 Ų15372.2 Ų72.272%0.71536%0.363SS*.Hα-helixtrans-70.6-45.6177.8-61.7176.6179.300111.2N137 S141 E142 M143N137-E139 VanDerWaalsContact C-N 3.26Å; N137-E139 PolarHBondContact O-N 3.26Å; N137-E139 WeakPolarHBondContact OD1-CB 3.29Å; N137-E139 PolarHBondContact OD1-N 2.8Å; N137-E139 VanDerWaalsContact OD1-N 3.1Å; E139-S141 VanDerWaalsContact C-N 3.27Å; E139-S141 PolarHBondContact O-N 2.89Å; E139-E142 WeakPolarHBondContact O-CB 3.37Å; E139-E142 PolarHBondContact O-N 3.19Å; E139-E142 VanDerWaalsContact O-N 3.16Å; E139-M143 PolarHBondContact O-N 2.94Å
140M97.9Very high97.5Very high66 Ų6673.4 Ų73.433%0.32537%0.369SS..Hα-helixtrans-61.8-37.9171.9-68.4-65.9-48.800111.5N137 E142 M143 E144 R170N137-M140 HydrophobicContact CB-CB 3.96Å; N137-M140 HydrophobicContact CB-CG 4.01Å; N137-M140 VanDerWaalsContact CG-CG 3.43Å; N137-M140 WeakPolarHBondContact ND2-CG 3.33Å; N137-M140 PolarHBondContact O-N 2.8Å; N137-M140 PolarHBondContact OD1-N 2.83Å; M140-E142 VanDerWaalsContact C-N 3.32Å; M140-E142 PolarHBondContact O-N 3.18Å; M140-M143 HydrophobicContact CB-CE 4.4Å; M140-M143 HydrophobicContact CE-CE 4.04Å; M140-M143 HydrophobicContact CG-CE 4.11Å; M140-M143 PolarHBondContact O-N 3.3Å; M140-M143 HydrophobicContact SD-CE 3.17Å; M140-M143 WeakPolarHBondContact SD-CE 3.17Å; M140-E144 WeakPolarHBondContact O-CG 3.35Å; M140-E144 PolarHBondContact O-N 2.91Å; M140-R170 HydrophobicContact CB-CG 4.31Å
141S98.6Very high97.6Very high1 Ų170 Ų701%0.00736%0.355CS..Hα-helixtrans-58.9-44.6173.2-176.50000111.7N137 P138 E139 E144 K145 A167 N171 L177N137-S141 PolarHBondContact O-N 3.39Å; P138-S141 WeakPolarHBondContact O-CB 3.46Å; P138-S141 PolarHBondContact O-N 3.05Å; E139-S141 VanDerWaalsContact C-N 3.27Å; E139-S141 PolarHBondContact O-N 2.89Å; S141-E144 PolarHBondContact O-N 3.42Å; S141-K145 WeakPolarHBondContact O-CB 3.01Å; S141-K145 PolarHBondContact O-N 3.26Å; S141-A167 WeakPolarHBondContact O-CB 3.37Å; S141-A167 PolarHBondContact OG-O 3.38Å; S141-N171 WeakPolarHBondContact OG-CB 3.49Å; S141-L177 WeakPolarHBondContact OG-CD1 3.41Å
142E98.4Very high97.8Very high85 Ų8566.7 Ų66.740%0.39734%0.337SS..Hα-helixtrans-62.8-45.1179.2-172.661.1-161.400111.1P138 E139 M140 E144 K145 V146P138-E142 PolarHBondContact O-N 3.29Å; E139-E142 WeakPolarHBondContact O-CB 3.37Å; E139-E142 PolarHBondContact O-N 3.19Å; E139-E142 VanDerWaalsContact O-N 3.16Å; M140-E142 VanDerWaalsContact C-N 3.32Å; M140-E142 PolarHBondContact O-N 3.18Å; E142-E144 PolarHBondContact O-N 2.8Å; E142-K145 VanDerWaalsContact CD-CE 3.48Å; E142-K145 WeakPolarHBondContact O-CB 3.48Å; E142-K145 PolarHBondContact O-N 3.2Å; E142-K145 WeakPolarHBondContact OE1-CE 3.49Å; E142-K145 IonicContact OE1-NZ 2.63Å; E142-K145 PolarHBondContact OE1-NZ 3.31Å; E142-K145 VanDerWaalsContact OE2-CE 3.22Å; E142-K145 WeakPolarHBondContact OE2-CE 3.37Å; E142-K145 IonicContact OE2-NZ 3.48Å; E142-K145 PolarHBondContact OE2-NZ 3.34Å; E142-V146 WeakPolarHBondContact O-CG2 3.32Å; E142-V146 PolarHBondContact O-N 3.06Å
143M98.3Very high98Very high93 Ų9369.2 Ų69.246%0.45835%0.354SS..Hα-helixtrans-60.1-43.7177.1-70.4-172.1-74.400112.5E139 M140 V146 K147E139-M143 PolarHBondContact O-N 2.94Å; M140-M143 HydrophobicContact CB-CE 4.4Å; M140-M143 HydrophobicContact CE-CE 4.04Å; M140-M143 HydrophobicContact CG-CE 4.11Å; M140-M143 PolarHBondContact O-N 3.3Å; M140-M143 HydrophobicContact SD-CE 3.17Å; M140-M143 WeakPolarHBondContact SD-CE 3.17Å; M143-V146 PolarHBondContact O-N 2.92Å; M143-K147 WeakPolarHBondContact O-CG 3.23Å; M143-K147 PolarHBondContact O-N 3.02Å
144E98.7Very high98.1Very high24 Ų2472.8 Ų72.811%0.11237%0.366CS..Hα-helixtrans-68-36.2176-70.6-62.5131.400111.9M140 S141 E142 V146 K147 G148 H163 E166 A167M140-E144 WeakPolarHBondContact O-CG 3.35Å; M140-E144 PolarHBondContact O-N 2.91Å; S141-E144 PolarHBondContact O-N 3.42Å; E142-E144 PolarHBondContact O-N 2.8Å; E144-V146 VanDerWaalsContact C-N 3.35Å; E144-V146 PolarHBondContact O-N 3.1Å; E144-K147 PolarHBondContact O-N 2.88Å; E144-K147 IonicContact OE1-NZ 2.91Å; E144-K147 PolarHBondContact OE1-NZ 3.38Å; E144-G148 PolarHBondContact O-N 3.49Å; E144-H163 WeakPolarHBondContact O-CB 3.43Å; E144-H163 IonicContact OE2-CE1 3.49Å; E144-H163 IonicContact OE2-CG 3.77Å; E144-H163 IonicContact OE2-ND1 2.69Å; E144-H163 PolarHBondContact OE2-ND1 3.35Å; E144-E166 HydrophobicContact CG-CB 4.35Å; E144-E166 HydrophobicContact CG-CG 3.8Å; E144-A167 HydrophobicContact CB-CB 3.94Å
145K98.6Very high98.2Very high25 Ų2570.3 Ų70.311%0.10935%0.348CS..Hα-helixtrans-60.6-42.8172.7-172.2-170.276.9-168.20111.7S141 E142 G148 N149 Y164 A167 L177S141-K145 WeakPolarHBondContact O-CB 3.01Å; S141-K145 PolarHBondContact O-N 3.26Å; E142-K145 VanDerWaalsContact CD-CE 3.48Å; E142-K145 WeakPolarHBondContact O-CB 3.48Å; E142-K145 PolarHBondContact O-N 3.2Å; E142-K145 WeakPolarHBondContact OE1-CE 3.49Å; E142-K145 IonicContact OE1-NZ 2.63Å; E142-K145 PolarHBondContact OE1-NZ 3.31Å; E142-K145 VanDerWaalsContact OE2-CE 3.22Å; E142-K145 WeakPolarHBondContact OE2-CE 3.37Å; E142-K145 IonicContact OE2-NZ 3.48Å; E142-K145 PolarHBondContact OE2-NZ 3.34Å; K145-G148 PolarHBondContact O-N 3.09Å; K145-N149 PolarHBondContact O-N 3.11Å; K145-N149 PolarHBondContact O-OD1 3.12Å; K145-Y164 HydrophobicContact CG-CE1 4.36Å; K145-A167 HydrophobicContact CB-CB 4.48Å; K145-L177 HydrophobicContact CB-CD2 3.73Å; K145-L177 HydrophobicContact CD-CD2 3.6Å; K145-L177 HydrophobicContact CG-CD2 3.53Å
146V98.6Very high98.3Very high63 Ų6370 Ų7038%0.38235%0.352SS..Hα-helixtrans-60.7-47.4176.8176.30000110.9E142 M143 E144 G148 N149 E150E142-V146 WeakPolarHBondContact O-CG2 3.32Å; E142-V146 PolarHBondContact O-N 3.06Å; M143-V146 PolarHBondContact O-N 2.92Å; E144-V146 VanDerWaalsContact C-N 3.35Å; E144-V146 PolarHBondContact O-N 3.1Å; V146-G148 VanDerWaalsContact C-N 3.31Å; V146-G148 PolarHBondContact O-N 3.02Å; V146-N149 WeakPolarHBondContact O-CB 3.5Å; V146-N149 PolarHBondContact O-N 2.96Å; V146-N149 VanDerWaalsContact O-N 3.13Å; V146-E150 PolarHBondContact O-N 3.46Å
147K98.6Very high98.4Very high89 Ų8969.6 Ų69.639%0.38735%0.347SS..Hα-helixtrans-58.9-42.5175.1-64.9174.1-168.8168.70112M143 E144 N149 E150 C151 H163M143-K147 WeakPolarHBondContact O-CG 3.23Å; M143-K147 PolarHBondContact O-N 3.02Å; E144-K147 PolarHBondContact O-N 2.88Å; E144-K147 IonicContact OE1-NZ 2.91Å; E144-K147 PolarHBondContact OE1-NZ 3.38Å; K147-N149 VanDerWaalsContact C-N 3.34Å; K147-N149 PolarHBondContact O-N 3.01Å; K147-E150 PolarHBondContact O-N 3.24Å; K147-C151 PolarHBondContact O-N 2.69Å; K147-C151 PolarHBondContact O-SG 3.16Å; K147-H163 HydrophobicContact CB-CB 4.39Å
148G98.7Very high98.4Very high0 Ų070.7 Ų70.70%036%0.357CS..Hα-helixtrans-60.5-42175.300000112.7E144 K145 V146 C151 Y152 A160 Y164E144-G148 PolarHBondContact O-N 3.49Å; K145-G148 PolarHBondContact O-N 3.09Å; V146-G148 VanDerWaalsContact C-N 3.31Å; V146-G148 PolarHBondContact O-N 3.02Å; G148-C151 PolarHBondContact O-N 2.59Å; G148-Y152 WeakPolarHBondContact O-CB 3.48Å; G148-Y152 PolarHBondContact O-N 3.28Å; G148-A160 WeakPolarHBondContact O-CB 3.49Å; G148-Y164 VanDerWaalsContact C-CZ 3.44Å; G148-Y164 VanDerWaalsContact C-OH 3.27Å; G148-Y164 PolarHBondContact O-OH 3.01Å
149N98.5Very high98.4Very high57 Ų5768.3 Ų68.331%0.30534%0.344SS..Hα-helixtrans-62.9-43175.4-66.5-18000111.2K145 V146 K147 Y152 Q153 Y164 N180K145-N149 PolarHBondContact O-N 3.11Å; K145-N149 PolarHBondContact O-OD1 3.12Å; V146-N149 WeakPolarHBondContact O-CB 3.5Å; V146-N149 PolarHBondContact O-N 2.96Å; V146-N149 VanDerWaalsContact O-N 3.13Å; K147-N149 VanDerWaalsContact C-N 3.34Å; K147-N149 PolarHBondContact O-N 3.01Å; N149-Y152 WeakPolarHBondContact O-CB 3.44Å; N149-Y152 PolarHBondContact O-N 3.02Å; N149-Q153 WeakPolarHBondContact O-CG 3.36Å; N149-Q153 PolarHBondContact O-N 3.35Å; N149-Y164 WeakPolarHBondContact CA-OH 3.48Å; N149-Y164 PolarHBondContact N-OH 3.25Å; N149-Y164 WeakPolarHBondContact OD1-CE1 3.22Å; N149-Y164 PolarHBondContact OD1-OH 3.07Å; N149-N180 PolarHBondContact OD1-ND2 3.06Å
150E98.6Very high98.4Very high104 Ų10461 Ų6149%0.48631%0.31SS..Hα-helixtrans-62.2-45.8176.8-70.1177.1-171.100112.4V146 K147 Y152 Q153 K154V146-E150 PolarHBondContact O-N 3.46Å; K147-E150 PolarHBondContact O-N 3.24Å; E150-Y152 VanDerWaalsContact C-N 3.31Å; E150-Y152 PolarHBondContact O-N 3.03Å; E150-Q153 PolarHBondContact O-N 2.89Å; E150-K154 WeakPolarHBondContact O-CG 3.3Å; E150-K154 PolarHBondContact O-N 3.23Å; E150-K154 VanDerWaalsContact O-N 3.1Å
151C98.6Very high98.5Very high21 Ų2159 Ų5914%0.14230%0.3CS..Hα-helixtrans-60-42.2174.3-72.40000111.6K147 G148 Q153 K154 G155 D156 A159 A160K147-C151 PolarHBondContact O-N 2.69Å; K147-C151 PolarHBondContact O-SG 3.16Å; G148-C151 PolarHBondContact O-N 2.59Å; C151-Q153 PolarHBondContact O-N 2.87Å; C151-K154 PolarHBondContact O-N 2.79Å; C151-G155 PolarHBondContact O-N 2.93Å; C151-D156 HydrophobicContact CB-CB 4.5Å; C151-D156 PolarHBondContact O-N 3.43Å; C151-A159 HydrophobicContact CB-CB 4.1Å; C151-A160 HydrophobicContact CB-CB 3.78Å
152Y98.6Very high98.5Very high59 Ų5966.4 Ų66.423%0.23133%0.332CS..Hα-helixtrans-60.4-44.8176.6-177.8-85.2000111.8G148 N149 E150 K154 G155 Y157 A183G148-Y152 WeakPolarHBondContact O-CB 3.48Å; G148-Y152 PolarHBondContact O-N 3.28Å; N149-Y152 WeakPolarHBondContact O-CB 3.44Å; N149-Y152 PolarHBondContact O-N 3.02Å; E150-Y152 VanDerWaalsContact C-N 3.31Å; E150-Y152 PolarHBondContact O-N 3.03Å; Y152-K154 PolarHBondContact O-N 3.38Å; Y152-G155 PolarHBondContact O-N 3.49Å; Y152-Y157 AromaticContact CD2-CD1 3.9Å; Y152-Y157 HydrophobicContact CD2-CD1 3.9Å; Y152-Y157 AromaticContact CD2-CE1 3.95Å; Y152-Y157 HydrophobicContact CD2-CE1 3.95Å; Y152-Y157 HydrophobicContact CE2-CD1 4.09Å; Y152-Y157 AromaticContact CE2-CE1 3.85Å; Y152-Y157 HydrophobicContact CE2-CE1 3.85Å; Y152-A183 HydrophobicContact CE2-CB 3.79Å
153Q98.3Very high98.5Very high157 Ų15764.3 Ų64.373%0.73432%0.322SS*.Hα-helixtrans-64.4-29.8177.5-67.1-59.6-17.100112.7N149 E150 C151 G155N149-Q153 WeakPolarHBondContact O-CG 3.36Å; N149-Q153 PolarHBondContact O-N 3.35Å; E150-Q153 PolarHBondContact O-N 2.89Å; C151-Q153 PolarHBondContact O-N 2.87Å; Q153-G155 PolarHBondContact O-N 3.4Å
154K98.2Very high98.5Very high164 Ų16460.1 Ų60.171%0.71330%0.301SS*.THydrogen-bonded Turntrans-77.8-5.3173.1-67.5171.6-175.21710113.5E150 C151 Y152 D156E150-K154 WeakPolarHBondContact O-CG 3.3Å; E150-K154 PolarHBondContact O-N 3.23Å; E150-K154 VanDerWaalsContact O-N 3.1Å; C151-K154 PolarHBondContact O-N 2.79Å; Y152-K154 PolarHBondContact O-N 3.38Å; K154-D156 PolarHBondContact O-N 3.03Å
155G97.8Very high98.5Very high34 Ų3460.9 Ų60.935%0.35131%0.308SS..THydrogen-bonded Turntrans76.36.6-174.100000114.4C151 Y152 Q153 Y157C151-G155 PolarHBondContact O-N 2.93Å; Y152-G155 PolarHBondContact O-N 3.49Å; Q153-G155 PolarHBondContact O-N 3.4Å; G155-Y157 VanDerWaalsContact C-N 3.31Å; G155-Y157 WeakPolarHBondContact O-CD2 3.34Å; G155-Y157 WeakPolarHBondContact O-CE2 3.45Å; G155-Y157 PolarHBondContact O-N 3.19Å
156D98.4Very high98.5Very high77 Ų7761.5 Ų61.541%0.41231%0.311SS..  trans-84.476175.8-171-12.7000110C151 K154 P158 A159 A160C151-D156 HydrophobicContact CB-CB 4.5Å; C151-D156 PolarHBondContact O-N 3.43Å; K154-D156 PolarHBondContact O-N 3.03Å; D156-P158 WeakPolarHBondContact OD1-CD 3.19Å; D156-A159 HydrophobicContact CB-CB 4.25Å; D156-A159 PolarHBondContact O-N 3.36Å; D156-A159 VanDerWaalsContact OD1-CB 3.29Å; D156-A159 WeakPolarHBondContact OD1-CB 3.36Å; D156-A159 PolarHBondContact OD1-N 2.74Å; D156-A159 VanDerWaalsContact OD2-CB 3.27Å; D156-A159 WeakPolarHBondContact OD2-CB 3.22Å; D156-A160 WeakPolarHBondContact O-CB 3.43Å; D156-A160 PolarHBondContact O-N 3.01Å
157Y98.5Very high98.5Very high55 Ų5558.5 Ų58.522%0.21629%0.293CS..Hα-helixtrans-63.9-39.4-178.5-50.4-61.6000113.8Y152 G155 A160 I161 K187 L188Y152-Y157 AromaticContact CD2-CD1 3.9Å; Y152-Y157 HydrophobicContact CD2-CD1 3.9Å; Y152-Y157 AromaticContact CD2-CE1 3.95Å; Y152-Y157 HydrophobicContact CD2-CE1 3.95Å; Y152-Y157 HydrophobicContact CE2-CD1 4.09Å; Y152-Y157 AromaticContact CE2-CE1 3.85Å; Y152-Y157 HydrophobicContact CE2-CE1 3.85Å; G155-Y157 VanDerWaalsContact C-N 3.31Å; G155-Y157 WeakPolarHBondContact O-CD2 3.34Å; G155-Y157 WeakPolarHBondContact O-CE2 3.45Å; G155-Y157 PolarHBondContact O-N 3.19Å; Y157-A160 PolarHBondContact O-N 2.99Å; Y157-I161 VanDerWaalsContact O-CG1 3.29Å; Y157-I161 WeakPolarHBondContact O-CG1 3.44Å; Y157-I161 PolarHBondContact O-N 3.08Å; Y157-K187 HydrophobicContact CD1-CB 3.95Å; Y157-K187 HydrophobicContact CD1-CG 4.14Å; Y157-K187 HydrophobicContact CD2-CB 3.75Å; Y157-K187 HydrophobicContact CE1-CB 3.78Å; Y157-K187 HydrophobicContact CE1-CD 4.33Å; Y157-K187 HydrophobicContact CE1-CG 3.6Å; Y157-K187 HydrophobicContact CE2-CB 3.58Å; Y157-K187 HydrophobicContact CE2-CD 4.47Å; Y157-K187 HydrophobicContact CE2-CG 4.11Å; Y157-K187 HydrophobicContact CG-CB 3.92Å; Y157-L188 HydrophobicContact CD2-CD2 4.13Å
158P98.5Very high98.5Very high82 Ų8255 Ų5553%0.53228%0.278SS..Hα-helixtrans-59.9-44.1174.3-26.236.8000113.3D156 I161 K162 L188D156-P158 WeakPolarHBondContact OD1-CD 3.19Å; P158-I161 PolarHBondContact O-N 3.4Å; P158-K162 PolarHBondContact O-N 3.16Å; P158-K162 VanDerWaalsContact O-N 3.17Å; P158-L188 HydrophobicContact CG-CD1 4.47Å
159A98.4Very high98.5Very high25 Ų2560.3 Ų60.321%0.20730%0.302CS..Hα-helixtrans-66.5-39.6175.400000111.8C151 D156 I161 K162 H163C151-A159 HydrophobicContact CB-CB 4.1Å; D156-A159 HydrophobicContact CB-CB 4.25Å; D156-A159 PolarHBondContact O-N 3.36Å; D156-A159 VanDerWaalsContact OD1-CB 3.29Å; D156-A159 WeakPolarHBondContact OD1-CB 3.36Å; D156-A159 PolarHBondContact OD1-N 2.74Å; D156-A159 VanDerWaalsContact OD2-CB 3.27Å; D156-A159 WeakPolarHBondContact OD2-CB 3.22Å; A159-I161 VanDerWaalsContact C-N 3.34Å; A159-I161 PolarHBondContact O-N 2.85Å; A159-K162 WeakPolarHBondContact O-CB 3.48Å; A159-K162 PolarHBondContact O-N 3.05Å; A159-H163 PolarHBondContact O-CD2 2.67Å; A159-H163 VanDerWaalsContact O-CD2 3.24Å; A159-H163 PolarHBondContact O-N 3.38Å; A159-H163 VanDerWaalsContact O-N 3.15Å
160A98.8Very high98.5Very high0 Ų059.8 Ų59.80%030%0.295CS..Hα-helixtrans-59.5-43.4174.800000112G148 C151 D156 Y157 K162 H163 Y164G148-A160 WeakPolarHBondContact O-CB 3.49Å; C151-A160 HydrophobicContact CB-CB 3.78Å; D156-A160 WeakPolarHBondContact O-CB 3.43Å; D156-A160 PolarHBondContact O-N 3.01Å; Y157-A160 PolarHBondContact O-N 2.99Å; A160-K162 VanDerWaalsContact C-N 3.31Å; A160-K162 PolarHBondContact O-N 2.98Å; A160-H163 PolarHBondContact O-N 3.41Å; A160-Y164 HydrophobicContact CB-CD2 4.33Å; A160-Y164 HydrophobicContact CB-CE2 3.91Å; A160-Y164 WeakPolarHBondContact O-CD2 3.13Å; A160-Y164 PolarHBondContact O-N 3.07Å
161I98.8Very high98.5Very high25 Ų2556.1 Ų56.113%0.12828%0.279CS..Hα-helixtrans-59.4-41.1175.9-72.9163.3000111.4Y157 P158 A159 T165 R181 C184 Y185 L188Y157-I161 VanDerWaalsContact O-CG1 3.29Å; Y157-I161 WeakPolarHBondContact O-CG1 3.44Å; Y157-I161 PolarHBondContact O-N 3.08Å; P158-I161 PolarHBondContact O-N 3.4Å; A159-I161 VanDerWaalsContact C-N 3.34Å; A159-I161 PolarHBondContact O-N 2.85Å; I161-T165 WeakPolarHBondContact O-CB 3.46Å; I161-T165 PolarHBondContact O-N 3.38Å; I161-T165 PolarHBondContact O-OG1 2.74Å; I161-R181 HydrophobicContact CG1-CG 4.16Å; I161-R181 HydrophobicContact CG2-CG 4.4Å; I161-C184 HydrophobicContact CD1-CB 3.76Å; I161-C184 HydrophobicContact CG1-CB 3.42Å; I161-C184 VanDerWaalsContact CG1-CB 3.42Å; I161-Y185 HydrophobicContact CD1-CD1 3.81Å; I161-Y185 HydrophobicContact CD1-CE1 3.7Å; I161-Y185 HydrophobicContact CG1-CE1 4.31Å; I161-Y185 HydrophobicContact CG2-CE1 4.3Å; I161-L188 HydrophobicContact CD1-CD1 3.55Å
162K98.7Very high98.4Very high156 Ų15657.1 Ų57.168%0.67829%0.285SS*.Hα-helixtrans-59.4-49.1176.9-177.5-176.4175.9-176.10110.9P158 A159 A160 T165 E166P158-K162 PolarHBondContact O-N 3.16Å; P158-K162 VanDerWaalsContact O-N 3.17Å; A159-K162 WeakPolarHBondContact O-CB 3.48Å; A159-K162 PolarHBondContact O-N 3.05Å; A160-K162 VanDerWaalsContact C-N 3.31Å; A160-K162 PolarHBondContact O-N 2.98Å; K162-T165 PolarHBondContact O-N 3.28Å; K162-E166 PolarHBondContact O-N 2.95Å
163H98.8Very high98.3Very high41 Ų4158.6 Ų58.619%0.1930%0.304CS..Hα-helixtrans-66.5-44.9179.5-74.9-58.6000112.9E144 K147 A159 A160 T165 E166 A167E144-H163 WeakPolarHBondContact O-CB 3.43Å; E144-H163 IonicContact OE2-CE1 3.49Å; E144-H163 IonicContact OE2-CG 3.77Å; E144-H163 IonicContact OE2-ND1 2.69Å; E144-H163 PolarHBondContact OE2-ND1 3.35Å; K147-H163 HydrophobicContact CB-CB 4.39Å; A159-H163 PolarHBondContact O-CD2 2.67Å; A159-H163 VanDerWaalsContact O-CD2 3.24Å; A159-H163 PolarHBondContact O-N 3.38Å; A159-H163 VanDerWaalsContact O-N 3.15Å; A160-H163 PolarHBondContact O-N 3.41Å; H163-T165 VanDerWaalsContact C-N 3.3Å; H163-T165 PolarHBondContact O-N 3.29Å; H163-E166 PolarHBondContact O-N 2.84Å; H163-A167 WeakPolarHBondContact O-CB 3.41Å; H163-A167 PolarHBondContact O-N 3.38Å
164Y98.8Very high98.3Very high4 Ų452.4 Ų52.42%0.01628%0.276CS..Hα-helixtrans-64.5-34.5174.9-62.8-43.6000112.6K145 G148 N149 A160 A167 I168 N180 R181K145-Y164 HydrophobicContact CG-CE1 4.36Å; G148-Y164 VanDerWaalsContact C-CZ 3.44Å; G148-Y164 VanDerWaalsContact C-OH 3.27Å; G148-Y164 PolarHBondContact O-OH 3.01Å; N149-Y164 WeakPolarHBondContact CA-OH 3.48Å; N149-Y164 PolarHBondContact N-OH 3.25Å; N149-Y164 WeakPolarHBondContact OD1-CE1 3.22Å; N149-Y164 PolarHBondContact OD1-OH 3.07Å; A160-Y164 HydrophobicContact CB-CD2 4.33Å; A160-Y164 HydrophobicContact CB-CE2 3.91Å; A160-Y164 WeakPolarHBondContact O-CD2 3.13Å; A160-Y164 PolarHBondContact O-N 3.07Å; Y164-A167 PolarHBondContact O-N 3.01Å; Y164-I168 WeakPolarHBondContact O-CB 3.48Å; Y164-I168 WeakPolarHBondContact O-CD1 3.43Å; Y164-I168 WeakPolarHBondContact O-CG1 3.47Å; Y164-I168 PolarHBondContact O-N 2.87Å; Y164-N180 HydrophobicContact CD1-CB 4.09Å; Y164-N180 HydrophobicContact CD2-CB 4.18Å; Y164-N180 HydrophobicContact CE1-CB 3.72Å; Y164-N180 HydrophobicContact CE2-CB 3.81Å; Y164-N180 HydrophobicContact CG-CB 4.33Å; Y164-R181 HydrophobicContact CD2-CB 4.17Å; Y164-R181 HydrophobicContact CG-CB 4.4Å
165T98.8Very high98.3Very high41 Ų4144.9 Ų44.925%0.25224%0.244SC..Hα-helixtrans-66.4-40176.4-62.90000111.7I161 K162 H163 I168 K169 R181I161-T165 WeakPolarHBondContact O-CB 3.46Å; I161-T165 PolarHBondContact O-N 3.38Å; I161-T165 PolarHBondContact O-OG1 2.74Å; K162-T165 PolarHBondContact O-N 3.28Å; H163-T165 VanDerWaalsContact C-N 3.3Å; H163-T165 PolarHBondContact O-N 3.29Å; T165-I168 PolarHBondContact O-N 3.37Å; T165-K169 WeakPolarHBondContact O-CG 3.27Å; T165-K169 PolarHBondContact O-N 2.87Å; T165-R181 WeakPolarHBondContact OG1-CD 3.47Å; T165-R181 PolarHBondContact OG1-NH1 2.94Å
166E98.5Very high98.3Very high37 Ų3748.2 Ų48.217%0.17325%0.249CC..Hα-helixtrans-65.6-46.8172.8-179.758.7-163.400111Y135 E144 K162 H163 I168 K169 R170Y135-E166 VanDerWaalsContact CE1-OE1 3.23Å; Y135-E166 WeakPolarHBondContact CE1-OE1 3.26Å; Y135-E166 VanDerWaalsContact CZ-OE1 3.29Å; Y135-E166 PolarHBondContact OH-OE1 3.31Å; Y135-E166 PolarHBondContact OH-OE2 2.87Å; E144-E166 HydrophobicContact CG-CB 4.35Å; E144-E166 HydrophobicContact CG-CG 3.8Å; K162-E166 PolarHBondContact O-N 2.95Å; H163-E166 PolarHBondContact O-N 2.84Å; E166-I168 VanDerWaalsContact C-N 3.28Å; E166-I168 PolarHBondContact O-N 3.39Å; E166-K169 WeakPolarHBondContact O-CB 3.36Å; E166-K169 PolarHBondContact O-N 3.28Å; E166-R170 WeakPolarHBondContact O-CG 3.24Å; E166-R170 PolarHBondContact O-N 3.17Å; E166-R170 VanDerWaalsContact O-N 3.12Å; E166-R170 IonicContact OE1-CZ 3.59Å; E166-R170 IonicContact OE1-NE 2.82Å; E166-R170 PolarHBondContact OE1-NE 3.15Å; E166-R170 IonicContact OE1-NH2 2.71Å; E166-R170 PolarHBondContact OE1-NH2 2.97Å
167A98.6Very high98.3Very high0 Ų044.6 Ų44.60%023%0.23CC..Hα-helixtrans-54.4-44.1175.200000111.9S141 E144 K145 H163 Y164 K169 R170 N171 L177S141-A167 WeakPolarHBondContact O-CB 3.37Å; S141-A167 PolarHBondContact OG-O 3.38Å; E144-A167 HydrophobicContact CB-CB 3.94Å; K145-A167 HydrophobicContact CB-CB 4.48Å; H163-A167 WeakPolarHBondContact O-CB 3.41Å; H163-A167 PolarHBondContact O-N 3.38Å; Y164-A167 PolarHBondContact O-N 3.01Å; A167-K169 VanDerWaalsContact C-N 3.31Å; A167-K169 PolarHBondContact O-N 2.97Å; A167-R170 CarbonylContact O-C 3.28Å; A167-R170 WeakPolarHBondContact O-CA 3.23Å; A167-R170 WeakPolarHBondContact O-CB 3.48Å; A167-R170 PolarHBondContact O-N 2.7Å; A167-N171 PolarHBondContact O-N 3.13Å; A167-L177 HydrophobicContact CB-CD1 3.93Å; A167-L177 HydrophobicContact CB-CD2 3.75Å; A167-L177 HydrophobicContact CB-CG 4.43Å
168I98.4Very high98.3Very high16 Ų1643.1 Ų43.18%0.08222%0.224CC..Hα-helixtrans-61.6-37177.7-72.5163.2000112Y164 T165 E166 R170 N171 P172 L177 Y178 R181Y164-I168 WeakPolarHBondContact O-CB 3.48Å; Y164-I168 WeakPolarHBondContact O-CD1 3.43Å; Y164-I168 WeakPolarHBondContact O-CG1 3.47Å; Y164-I168 PolarHBondContact O-N 2.87Å; T165-I168 PolarHBondContact O-N 3.37Å; E166-I168 VanDerWaalsContact C-N 3.28Å; E166-I168 PolarHBondContact O-N 3.39Å; I168-R170 VanDerWaalsContact C-N 3.27Å; I168-R170 PolarHBondContact O-N 3.2Å; I168-N171 CarbonylContact O-C 3.54Å; I168-P172 WeakPolarHBondContact O-CA 3.39Å; I168-P172 WeakPolarHBondContact O-CB 3.45Å; I168-P172 WeakPolarHBondContact O-CD 3.2Å; I168-L177 HydrophobicContact CD1-CB 4.22Å; I168-L177 HydrophobicContact CG1-CB 3.54Å; I168-L177 HydrophobicContact CG1-CD1 4.11Å; I168-L177 HydrophobicContact CG1-CG 4.48Å; I168-Y178 HydrophobicContact CD1-CD1 3.87Å; I168-Y178 HydrophobicContact CD1-CE1 3.98Å; I168-Y178 HydrophobicContact CD1-CG 4.36Å; I168-Y178 HydrophobicContact CG1-CD1 4.42Å; I168-Y178 HydrophobicContact CG1-CE1 4.23Å; I168-Y178 HydrophobicContact CG2-CE1 3.75Å; I168-Y178 WeakPolarHBondContact CG2-OH 3.48Å; I168-R181 VanDerWaalsContact CD1-CZ 3.44Å
169K97.9Very high98.3Very high112 Ų11239.2 Ų39.249%0.48720%0.199SC..Hα-helixtrans-65.9-34.3174.7-67.6174.6-176.8175.10111.7Y135 T165 E166 A167Y135-K169 HydrophobicContact CD1-CB 3.75Å; Y135-K169 HydrophobicContact CE1-CB 3.72Å; Y135-K169 HydrophobicContact CE1-CD 4.09Å; T165-K169 WeakPolarHBondContact O-CG 3.27Å; T165-K169 PolarHBondContact O-N 2.87Å; E166-K169 WeakPolarHBondContact O-CB 3.36Å; E166-K169 PolarHBondContact O-N 3.28Å; A167-K169 VanDerWaalsContact C-N 3.31Å; A167-K169 PolarHBondContact O-N 2.97Å
170R98.4Very high98.3Very high46 Ų4639.6 Ų39.617%0.17420%0.197CC..Hα-helixtrans-79.8-30.2179.8-61.3-58-177.71662.5113.3Y135 I136 N137 M140 E166 A167 I168Y135-R170 HydrophobicContact CD1-CG 4.49Å; Y135-R170 HydrophobicContact CE1-CG 4.35Å; Y135-R170 VanDerWaalsContact CE2-CZ 3.44Å; Y135-R170 VanDerWaalsContact CE2-NH2 3.29Å; Y135-R170 WeakPolarHBondContact O-CD 3.4Å; Y135-R170 PolarHBondContact O-NH1 3.14Å; Y135-R170 PolarHBondContact OH-NH2 3.25Å; I136-R170 CarbonylContact C-O 3.51Å; I136-R170 VanDerWaalsContact CA-O 3.29Å; I136-R170 WeakPolarHBondContact CA-O 3.48Å; I136-R170 WeakPolarHBondContact CG2-O 3.31Å; N137-R170 CarbonylContact C-O 3.25Å; N137-R170 PolarHBondContact N-O 3.05Å; N137-R170 WeakPolarHBondContact O-CB 3.4Å; M140-R170 HydrophobicContact CB-CG 4.31Å; E166-R170 WeakPolarHBondContact O-CG 3.24Å; E166-R170 PolarHBondContact O-N 3.17Å; E166-R170 VanDerWaalsContact O-N 3.12Å; E166-R170 IonicContact OE1-CZ 3.59Å; E166-R170 IonicContact OE1-NE 2.82Å; E166-R170 PolarHBondContact OE1-NE 3.15Å; E166-R170 IonicContact OE1-NH2 2.71Å; E166-R170 PolarHBondContact OE1-NH2 2.97Å; A167-R170 CarbonylContact O-C 3.28Å; A167-R170 WeakPolarHBondContact O-CA 3.23Å; A167-R170 WeakPolarHBondContact O-CB 3.48Å; A167-R170 PolarHBondContact O-N 2.7Å; I168-R170 VanDerWaalsContact C-N 3.27Å; I168-R170 PolarHBondContact O-N 3.2Å
171N97.9Very high98.3Very high27 Ų2740.8 Ų40.814%0.14420%0.202CC..  trans-146.181.8174.4-173-0.3000111.2S141 A167 I168 S173 D174 L177S141-N171 WeakPolarHBondContact OG-CB 3.49Å; A167-N171 PolarHBondContact O-N 3.13Å; I168-N171 CarbonylContact O-C 3.54Å; N171-S173 PolarHBondContact O-N 3.38Å; N171-S173 VanDerWaalsContact O-N 3.1Å; N171-S173 PolarHBondContact OD1-N 3.46Å; N171-S173 PolarHBondContact OD1-OG 2.88Å; N171-D174 PolarHBondContact O-N 3.26Å; N171-L177 HydrophobicContact CB-CD1 4.45Å; N171-L177 WeakPolarHBondContact O-CD1 3.37Å
172P97Very high98.3Very high42 Ų4239.6 Ų39.627%0.27320%0.196SC..THydrogen-bonded Turntrans-70.1-6.4-177.427.6-35.3000114I136 I168 Y178I136-P172 HydrophobicContact CD1-CG 4.49Å; I168-P172 WeakPolarHBondContact O-CA 3.39Å; I168-P172 WeakPolarHBondContact O-CB 3.45Å; I168-P172 WeakPolarHBondContact O-CD 3.2Å; P172-Y178 WeakPolarHBondContact O-CE2 3.42Å; P172-Y178 PolarHBondContact O-OH 3.15Å
173S96.6Very high98.3Very high89 Ų8932.4 Ų32.462%0.62217%0.165SC*.THydrogen-bonded Turntrans-92.5-10.9178.867.10000113.9N171 A175N171-S173 PolarHBondContact O-N 3.38Å; N171-S173 VanDerWaalsContact O-N 3.1Å; N171-S173 PolarHBondContact OD1-N 3.46Å; N171-S173 PolarHBondContact OD1-OG 2.88Å; S173-A175 PolarHBondContact O-N 3.02Å
174D98Very high98.3Very high27 Ų2730.4 Ų30.414%0.14416%0.156CC..  trans-82101.3-178.9-175.30.8000111.5N171 K176 L177N171-D174 PolarHBondContact O-N 3.26Å; D174-K176 PolarHBondContact O-N 2.9Å; D174-K176 VanDerWaalsContact O-N 3.11Å; D174-K176 VanDerWaalsContact OD1-CB 3.22Å; D174-K176 WeakPolarHBondContact OD1-CB 3.44Å; D174-K176 WeakPolarHBondContact OD1-CG 3.19Å; D174-K176 PolarHBondContact OD1-N 2.74Å; D174-L177 HydrophobicContact CB-CD1 3.86Å; D174-L177 HydrophobicContact CB-CG 3.91Å; D174-L177 WeakPolarHBondContact O-CB 3.47Å; D174-L177 PolarHBondContact O-N 3.34Å; D174-L177 VanDerWaalsContact O-N 3.09Å
175A98.3Very high98.3Very high6 Ų631.9 Ų31.95%0.0516%0.162CC..Hα-helixtrans-53.2-30.417700000113.5S173 L177 Y178 S179 C201 A204 D205 F208S173-A175 PolarHBondContact O-N 3.02Å; A175-L177 PolarHBondContact O-N 2.99Å; A175-Y178 PolarHBondContact O-N 3.21Å; A175-S179 WeakPolarHBondContact O-CB 3.39Å; A175-S179 PolarHBondContact O-N 3Å; A175-S179 VanDerWaalsContact O-N 3.07Å; A175-C201 WeakPolarHBondContact CB-O 3.4Å; A175-C201 PolarHBondContact O-SG 3.11Å; A175-A204 HydrophobicContact CB-CB 3.97Å; A175-D205 HydrophobicContact CB-CB 3.64Å; A175-F208 HydrophobicContact CB-CB 4.41Å; A175-F208 HydrophobicContact CB-CD1 3.81Å; A175-F208 HydrophobicContact CB-CE1 4.47Å; A175-F208 HydrophobicContact CB-CG 4.39Å
176K98.3Very high98.2Very high105 Ų10531.8 Ų31.846%0.45716%0.161SC..Hα-helixtrans-62.2-33.4-179.4-60.7168.3-173.1167.80111.7D174 S179 N180 F208D174-K176 PolarHBondContact O-N 2.9Å; D174-K176 VanDerWaalsContact O-N 3.11Å; D174-K176 VanDerWaalsContact OD1-CB 3.22Å; D174-K176 WeakPolarHBondContact OD1-CB 3.44Å; D174-K176 WeakPolarHBondContact OD1-CG 3.19Å; D174-K176 PolarHBondContact OD1-N 2.74Å; K176-S179 WeakPolarHBondContact O-CB 3.4Å; K176-S179 PolarHBondContact O-N 3.13Å; K176-N180 WeakPolarHBondContact O-CB 3.48Å; K176-N180 PolarHBondContact O-N 3.5Å; K176-N180 PolarHBondContact O-OD1 2.83Å; K176-F208 HydrophobicContact CG-CE1 4.14Å; K176-F208 HydrophobicContact CG-CE2 4.38Å; K176-F208 HydrophobicContact CG-CZ 3.81Å
177L98.7Very high98.2Very high0 Ų035.5 Ų35.50%018%0.177CC..Hα-helixtrans-68-45.5-177.9-56.4176.4000111.6S141 K145 A167 I168 N171 D174 A175 N180 R181S141-L177 WeakPolarHBondContact OG-CD1 3.41Å; K145-L177 HydrophobicContact CB-CD2 3.73Å; K145-L177 HydrophobicContact CD-CD2 3.6Å; K145-L177 HydrophobicContact CG-CD2 3.53Å; A167-L177 HydrophobicContact CB-CD1 3.93Å; A167-L177 HydrophobicContact CB-CD2 3.75Å; A167-L177 HydrophobicContact CB-CG 4.43Å; I168-L177 HydrophobicContact CD1-CB 4.22Å; I168-L177 HydrophobicContact CG1-CB 3.54Å; I168-L177 HydrophobicContact CG1-CD1 4.11Å; I168-L177 HydrophobicContact CG1-CG 4.48Å; N171-L177 HydrophobicContact CB-CD1 4.45Å; N171-L177 WeakPolarHBondContact O-CD1 3.37Å; D174-L177 HydrophobicContact CB-CD1 3.86Å; D174-L177 HydrophobicContact CB-CG 3.91Å; D174-L177 WeakPolarHBondContact O-CB 3.47Å; D174-L177 PolarHBondContact O-N 3.34Å; D174-L177 VanDerWaalsContact O-N 3.09Å; A175-L177 PolarHBondContact O-N 2.99Å; L177-N180 PolarHBondContact O-N 3.46Å; L177-R181 PolarHBondContact O-N 3.47Å
178Y98.8Very high98.2Very high24 Ų2438.7 Ų38.79%0.09419%0.194CC..Hα-helixtrans-62.9-43.5174.7-61.7-79.5000111.3I168 P172 A175 N180 R181 A182 K200I168-Y178 HydrophobicContact CD1-CD1 3.87Å; I168-Y178 HydrophobicContact CD1-CE1 3.98Å; I168-Y178 HydrophobicContact CD1-CG 4.36Å; I168-Y178 HydrophobicContact CG1-CD1 4.42Å; I168-Y178 HydrophobicContact CG1-CE1 4.23Å; I168-Y178 HydrophobicContact CG2-CE1 3.75Å; I168-Y178 WeakPolarHBondContact CG2-OH 3.48Å; P172-Y178 WeakPolarHBondContact O-CE2 3.42Å; P172-Y178 PolarHBondContact O-OH 3.15Å; A175-Y178 PolarHBondContact O-N 3.21Å; Y178-N180 VanDerWaalsContact C-N 3.35Å; Y178-N180 PolarHBondContact O-N 3.33Å; Y178-R181 PolarHBondContact O-N 2.78Å; Y178-A182 WeakPolarHBondContact O-CB 3.46Å; Y178-A182 PolarHBondContact O-N 3.48Å; Y178-K200 HydrophobicContact CD1-CB 3.63Å; Y178-K200 HydrophobicContact CD1-CD 4.02Å; Y178-K200 HydrophobicContact CD1-CG 4.49Å; Y178-K200 HydrophobicContact CE1-CB 3.88Å; Y178-K200 HydrophobicContact CE1-CD 3.75Å; Y178-K200 HydrophobicContact CE1-CG 4.44Å; Y178-K200 HydrophobicContact CG-CB 4.02Å
179S98.6Very high98.1Very high1 Ų144.8 Ų44.81%0.00722%0.223CC..Hα-helixtrans-55.7-48.3173.4-170.50000111.8A175 K176 A182 A183 R214A175-S179 WeakPolarHBondContact O-CB 3.39Å; A175-S179 PolarHBondContact O-N 3Å; A175-S179 VanDerWaalsContact O-N 3.07Å; K176-S179 WeakPolarHBondContact O-CB 3.4Å; K176-S179 PolarHBondContact O-N 3.13Å; S179-A182 PolarHBondContact O-N 3.17Å; S179-A183 PolarHBondContact O-N 2.89Å; S179-A183 VanDerWaalsContact O-N 3.14Å; S179-R214 WeakPolarHBondContact O-CD 3.39Å; S179-R214 PolarHBondContact O-NE 3.48Å; S179-R214 VanDerWaalsContact OG-CD 3.31Å; S179-R214 WeakPolarHBondContact OG-CD 3.38Å; S179-R214 PolarHBondContact OG-NE 3.12Å
180N98.5Very high98.1Very high32 Ų3243.9 Ų43.917%0.17122%0.221CC..Hα-helixtrans-66.4-40.9-179.4-72.9-1.9000112.5N149 Y164 K176 L177 Y178 A183 C184N149-N180 PolarHBondContact OD1-ND2 3.06Å; Y164-N180 HydrophobicContact CD1-CB 4.09Å; Y164-N180 HydrophobicContact CD2-CB 4.18Å; Y164-N180 HydrophobicContact CE1-CB 3.72Å; Y164-N180 HydrophobicContact CE2-CB 3.81Å; Y164-N180 HydrophobicContact CG-CB 4.33Å; K176-N180 WeakPolarHBondContact O-CB 3.48Å; K176-N180 PolarHBondContact O-N 3.5Å; K176-N180 PolarHBondContact O-OD1 2.83Å; L177-N180 PolarHBondContact O-N 3.46Å; Y178-N180 VanDerWaalsContact C-N 3.35Å; Y178-N180 PolarHBondContact O-N 3.33Å; N180-A183 WeakPolarHBondContact O-CB 3.08Å; N180-A183 PolarHBondContact O-N 3.17Å; N180-C184 PolarHBondContact O-N 3.07Å
181R98.8Very high98.1Very high26 Ų2644.2 Ų44.210%0.09822%0.224CC..Hα-helixtrans-69.5-36.4177.2-163.7174.164.7-179-1.4112.4I161 Y164 T165 I168 L177 Y178 A183 C184 Y185 D197I161-R181 HydrophobicContact CG1-CG 4.16Å; I161-R181 HydrophobicContact CG2-CG 4.4Å; Y164-R181 HydrophobicContact CD2-CB 4.17Å; Y164-R181 HydrophobicContact CG-CB 4.4Å; T165-R181 WeakPolarHBondContact OG1-CD 3.47Å; T165-R181 PolarHBondContact OG1-NH1 2.94Å; I168-R181 VanDerWaalsContact CD1-CZ 3.44Å; L177-R181 PolarHBondContact O-N 3.47Å; Y178-R181 PolarHBondContact O-N 2.78Å; R181-A183 PolarHBondContact O-N 2.99Å; R181-C184 WeakPolarHBondContact O-CB 3.27Å; R181-C184 PolarHBondContact O-N 3.29Å; R181-C184 VanDerWaalsContact O-N 3.1Å; R181-Y185 HydrophobicContact CG-CD2 4.14Å; R181-Y185 HydrophobicContact CG-CE2 3.63Å; R181-Y185 WeakPolarHBondContact O-CD2 3.34Å; R181-Y185 PolarHBondContact O-N 2.77Å; R181-D197 WeakPolarHBondContact CB-OD2 3.47Å; R181-D197 IonicContact CZ-OD1 2.78Å; R181-D197 IonicContact CZ-OD2 3.7Å; R181-D197 IonicContact NE-OD1 3.78Å; R181-D197 IonicContact NE-OD2 3.46Å; R181-D197 PolarHBondContact NE-OD2 3.17Å; R181-D197 IonicContact NH2-OD1 2.74Å; R181-D197 PolarHBondContact NH2-OD1 3.47Å; R181-D197 IonicContact NH2-OD2 3.2Å; R181-D197 PolarHBondContact NH2-OD2 3.3Å
182A98.7Very high98.1Very high0 Ų047.7 Ų47.70%025%0.246CC..Hα-helixtrans-57.9-36.7170.100000112.2Y178 S179 C184 Y185 T186 D197Y178-A182 WeakPolarHBondContact O-CB 3.46Å; Y178-A182 PolarHBondContact O-N 3.48Å; S179-A182 PolarHBondContact O-N 3.17Å; A182-C184 PolarHBondContact O-N 3.21Å; A182-Y185 PolarHBondContact O-N 2.92Å; A182-T186 WeakPolarHBondContact O-CB 3.47Å; A182-T186 PolarHBondContact O-N 3.46Å; A182-T186 PolarHBondContact O-OG1 3.36Å; A182-D197 HydrophobicContact CB-CB 3.86Å
183A98.3Very high98.2Very high4 Ų449.3 Ų49.33%0.03325%0.252CS..Hα-helixtrans-60-45.2174.300000111.9Y152 S179 N180 R181 T186 K187Y152-A183 HydrophobicContact CE2-CB 3.79Å; S179-A183 PolarHBondContact O-N 2.89Å; S179-A183 VanDerWaalsContact O-N 3.14Å; N180-A183 WeakPolarHBondContact O-CB 3.08Å; N180-A183 PolarHBondContact O-N 3.17Å; R181-A183 PolarHBondContact O-N 2.99Å; A183-T186 WeakPolarHBondContact O-CB 3.44Å; A183-T186 PolarHBondContact O-N 3.4Å; A183-K187 WeakPolarHBondContact O-CG 3.44Å; A183-K187 PolarHBondContact O-N 3.13Å
184C98.6Very high98.3Very high0 Ų045 Ų450%022%0.222CC..Hα-helixtrans-61.8-48.7175.9-62.60000111.7I161 N180 R181 A182 T186 K187 L188I161-C184 HydrophobicContact CD1-CB 3.76Å; I161-C184 HydrophobicContact CG1-CB 3.42Å; I161-C184 VanDerWaalsContact CG1-CB 3.42Å; N180-C184 PolarHBondContact O-N 3.07Å; R181-C184 WeakPolarHBondContact O-CB 3.27Å; R181-C184 PolarHBondContact O-N 3.29Å; R181-C184 VanDerWaalsContact O-N 3.1Å; A182-C184 PolarHBondContact O-N 3.21Å; C184-T186 VanDerWaalsContact C-N 3.26Å; C184-T186 PolarHBondContact O-N 3.42Å; C184-K187 WeakPolarHBondContact O-CB 3.49Å; C184-K187 PolarHBondContact O-N 3.18Å; C184-K187 VanDerWaalsContact O-N 3.09Å; C184-L188 WeakPolarHBondContact O-CG 3.29Å; C184-L188 PolarHBondContact O-N 3.06Å
185Y98.7Very high98.3Very high34 Ų3445.2 Ų45.213%0.13322%0.224CC..Hα-helixtrans-59.1-39.4177.6-71.7-48.6000111.9I161 R181 A182 K187 L188 M189 E190 L193 D197I161-Y185 HydrophobicContact CD1-CD1 3.81Å; I161-Y185 HydrophobicContact CD1-CE1 3.7Å; I161-Y185 HydrophobicContact CG1-CE1 4.31Å; I161-Y185 HydrophobicContact CG2-CE1 4.3Å; R181-Y185 HydrophobicContact CG-CD2 4.14Å; R181-Y185 HydrophobicContact CG-CE2 3.63Å; R181-Y185 WeakPolarHBondContact O-CD2 3.34Å; R181-Y185 PolarHBondContact O-N 2.77Å; A182-Y185 PolarHBondContact O-N 2.92Å; Y185-K187 VanDerWaalsContact C-N 3.35Å; Y185-K187 PolarHBondContact O-N 3.44Å; Y185-L188 CarbonylContact O-C 3.46Å; Y185-L188 PolarHBondContact O-N 2.87Å; Y185-M189 PolarHBondContact O-N 2.87Å; Y185-E190 HydrophobicContact CD1-CB 3.93Å; Y185-E190 HydrophobicContact CD1-CG 4.47Å; Y185-E190 HydrophobicContact CG-CB 4.4Å; Y185-E190 PolarHBondContact O-N 3.2Å; Y185-L193 HydrophobicContact CD1-CB 3.89Å; Y185-L193 HydrophobicContact CD1-CD1 3.94Å; Y185-L193 HydrophobicContact CD2-CB 3.8Å; Y185-L193 HydrophobicContact CE1-CB 4.09Å; Y185-L193 HydrophobicContact CE1-CD1 3.62Å; Y185-L193 HydrophobicContact CE1-CG 4.5Å; Y185-L193 HydrophobicContact CE2-CB 3.98Å; Y185-L193 HydrophobicContact CG-CB 3.77Å; Y185-D197 VanDerWaalsContact CE2-OD2 3.31Å; Y185-D197 WeakPolarHBondContact CE2-OD2 3.31Å
186T97.8Very high98.3Very high40 Ų4047.5 Ų47.525%0.24524%0.24CC..Hα-helixtrans-61.1-43174.8-51.20000111.7A182 A183 C184 L188 M189 F191 V218A182-T186 WeakPolarHBondContact O-CB 3.47Å; A182-T186 PolarHBondContact O-N 3.46Å; A182-T186 PolarHBondContact O-OG1 3.36Å; A183-T186 WeakPolarHBondContact O-CB 3.44Å; A183-T186 PolarHBondContact O-N 3.4Å; C184-T186 VanDerWaalsContact C-N 3.26Å; C184-T186 PolarHBondContact O-N 3.42Å; T186-L188 VanDerWaalsContact C-N 3.26Å; T186-L188 PolarHBondContact O-N 2.71Å; T186-M189 PolarHBondContact O-N 3.33Å; T186-M189 VanDerWaalsContact O-N 3.11Å; T186-F191 HydrophobicContact CG2-CE1 4.38Å; T186-V218 HydrophobicContact CG2-CG2 4.03Å; T186-V218 WeakPolarHBondContact OG1-CG2 3.34Å
187K97.5Very high98.3Very high114 Ų11442.7 Ų42.750%0.49622%0.219SC..Hα-helixtrans-66.2-29177.4-69.2-69.3-173.1-177.20113.1Y157 A183 C184 Y185 M189Y157-K187 HydrophobicContact CD1-CB 3.95Å; Y157-K187 HydrophobicContact CD1-CG 4.14Å; Y157-K187 HydrophobicContact CD2-CB 3.75Å; Y157-K187 HydrophobicContact CE1-CB 3.78Å; Y157-K187 HydrophobicContact CE1-CD 4.33Å; Y157-K187 HydrophobicContact CE1-CG 3.6Å; Y157-K187 HydrophobicContact CE2-CB 3.58Å; Y157-K187 HydrophobicContact CE2-CD 4.47Å; Y157-K187 HydrophobicContact CE2-CG 4.11Å; Y157-K187 HydrophobicContact CG-CB 3.92Å; A183-K187 WeakPolarHBondContact O-CG 3.44Å; A183-K187 PolarHBondContact O-N 3.13Å; C184-K187 WeakPolarHBondContact O-CB 3.49Å; C184-K187 PolarHBondContact O-N 3.18Å; C184-K187 VanDerWaalsContact O-N 3.09Å; Y185-K187 VanDerWaalsContact C-N 3.35Å; Y185-K187 PolarHBondContact O-N 3.44Å; K187-M189 VanDerWaalsContact C-N 3.32Å
188L97.8Very high98.3Very high68 Ų6842.8 Ų42.836%0.35622%0.219SC..THydrogen-bonded Turntrans-88.43174.8-63.8177.2000113.4Y157 P158 I161 C184 Y185 T186 E190Y157-L188 HydrophobicContact CD2-CD2 4.13Å; P158-L188 HydrophobicContact CG-CD1 4.47Å; I161-L188 HydrophobicContact CD1-CD1 3.55Å; C184-L188 WeakPolarHBondContact O-CG 3.29Å; C184-L188 PolarHBondContact O-N 3.06Å; Y185-L188 CarbonylContact O-C 3.46Å; Y185-L188 PolarHBondContact O-N 2.87Å; T186-L188 VanDerWaalsContact C-N 3.26Å; T186-L188 PolarHBondContact O-N 2.71Å; L188-E190 HydrophobicContact CB-CG 4.1Å; L188-E190 PolarHBondContact O-N 3.14Å
189M97.4Very high98.3Very high143 Ų14344.2 Ų44.270%0.70423%0.229SC*.THydrogen-bonded Turntrans60.518.9-175.4-47.9-177.5-158.900114.4Y185 T186 K187 F191Y185-M189 PolarHBondContact O-N 2.87Å; T186-M189 PolarHBondContact O-N 3.33Å; T186-M189 VanDerWaalsContact O-N 3.11Å; K187-M189 VanDerWaalsContact C-N 3.32Å; M189-F191 HydrophobicContact CB-CE2 4.05Å; M189-F191 HydrophobicContact CB-CZ 3.96Å; M189-F191 HydrophobicContact CG-CZ 4.24Å; M189-F191 WeakPolarHBondContact O-CD2 3.41Å; M189-F191 PolarHBondContact O-N 3.43Å
190E98.1Very high98.3Very high94 Ų9448.4 Ų48.444%0.43925%0.247SC..  trans-81.659.9174.5-66.9-64.2168.700110.2Y185 L188 T192 L193 A194Y185-E190 HydrophobicContact CD1-CB 3.93Å; Y185-E190 HydrophobicContact CD1-CG 4.47Å; Y185-E190 HydrophobicContact CG-CB 4.4Å; Y185-E190 PolarHBondContact O-N 3.2Å; L188-E190 HydrophobicContact CB-CG 4.1Å; L188-E190 PolarHBondContact O-N 3.14Å; E190-T192 VanDerWaalsContact C-N 3.31Å; E190-T192 PolarHBondContact O-N 3.25Å; E190-L193 HydrophobicContact CB-CB 4.38Å; E190-L193 HydrophobicContact CB-CD1 4.24Å; E190-L193 PolarHBondContact O-N 3.4Å; E190-L193 VanDerWaalsContact O-N 3.17Å; E190-A194 PolarHBondContact O-N 2.89Å
191F98Very high98.3Very high53 Ų5346.9 Ų46.923%0.23224%0.239CC..Hα-helixtrans-63-34-166.2-58.7-55.4000113.6T186 M189 L193 A194 V195 V218 A221 M222T186-F191 HydrophobicContact CG2-CE1 4.38Å; M189-F191 HydrophobicContact CB-CE2 4.05Å; M189-F191 HydrophobicContact CB-CZ 3.96Å; M189-F191 HydrophobicContact CG-CZ 4.24Å; M189-F191 WeakPolarHBondContact O-CD2 3.41Å; M189-F191 PolarHBondContact O-N 3.43Å; F191-L193 PolarHBondContact O-N 2.91Å; F191-A194 PolarHBondContact O-N 3.28Å; F191-V195 WeakPolarHBondContact O-CG2 3.27Å; F191-V195 PolarHBondContact O-N 3.43Å; F191-V218 HydrophobicContact CB-CG1 3.97Å; F191-V218 HydrophobicContact CD1-CG1 4.07Å; F191-V218 HydrophobicContact CG-CG1 4.44Å; F191-A221 HydrophobicContact CD1-CB 4.29Å; F191-A221 HydrophobicContact CE1-CB 3.66Å; F191-A221 HydrophobicContact CZ-CB 3.84Å; F191-M222 HydrophobicContact CB-CE 4.47Å; F191-M222 HydrophobicContact CB-CG 3.49Å; F191-M222 VanDerWaalsContact CB-CG 3.49Å; F191-M222 HydrophobicContact CB-SD 3.53Å; F191-M222 VanDerWaalsContact CB-SD 3.53Å; F191-M222 HydrophobicContact CD2-CG 3.95Å; F191-M222 HydrophobicContact CG-CG 3.77Å; F191-M222 HydrophobicContact CG-SD 4.44Å
192T97.8Very high98.3Very high99 Ų9946.8 Ų46.861%0.60724%0.24SC*.Hα-helixtrans-63-41.7177.454.30000111.8E190 S196E190-T192 VanDerWaalsContact C-N 3.31Å; E190-T192 PolarHBondContact O-N 3.25Å; T192-S196 PolarHBondContact O-N 3.39Å; T192-S196 VanDerWaalsContact O-N 3.13Å
193L98.3Very high98.3Very high76 Ų7653.9 Ų53.940%0.39827%0.273SS..Hα-helixtrans-68.9-39.4174.5-63.4179.1000111.2Y185 E190 F191 S196 D197Y185-L193 HydrophobicContact CD1-CB 3.89Å; Y185-L193 HydrophobicContact CD1-CD1 3.94Å; Y185-L193 HydrophobicContact CD2-CB 3.8Å; Y185-L193 HydrophobicContact CE1-CB 4.09Å; Y185-L193 HydrophobicContact CE1-CD1 3.62Å; Y185-L193 HydrophobicContact CE1-CG 4.5Å; Y185-L193 HydrophobicContact CE2-CB 3.98Å; Y185-L193 HydrophobicContact CG-CB 3.77Å; E190-L193 HydrophobicContact CB-CB 4.38Å; E190-L193 HydrophobicContact CB-CD1 4.24Å; E190-L193 PolarHBondContact O-N 3.4Å; E190-L193 VanDerWaalsContact O-N 3.17Å; F191-L193 PolarHBondContact O-N 2.91Å; L193-S196 WeakPolarHBondContact O-CB 3.37Å; L193-S196 PolarHBondContact O-N 3.29Å; L193-D197 PolarHBondContact O-N 2.99Å
194A98.6Very high98.2Very high0 Ų055.7 Ų55.70%029%0.288CS..Hα-helixtrans-61.6-44.8176.200000112.2E190 F191 D197 C198 V218E190-A194 PolarHBondContact O-N 2.89Å; F191-A194 PolarHBondContact O-N 3.28Å; A194-D197 PolarHBondContact O-N 3.19Å; A194-C198 PolarHBondContact O-N 3.24Å; A194-C198 PolarHBondContact O-SG 2.96Å; A194-V218 HydrophobicContact CB-CG1 4Å; A194-V218 HydrophobicContact CB-CG2 3.77Å
195V98.5Very high98.2Very high31 Ų3158.9 Ų58.919%0.18831%0.305CS..Hα-helixtrans-62.2-42.9175173.30000111.2F191 D197 C198 N199 V218 M222F191-V195 WeakPolarHBondContact O-CG2 3.27Å; F191-V195 PolarHBondContact O-N 3.43Å; V195-D197 PolarHBondContact O-N 3.38Å; V195-C198 PolarHBondContact O-N 3.25Å; V195-N199 PolarHBondContact O-N 3.28Å; V195-N199 PolarHBondContact O-ND2 3.44Å; V195-V218 HydrophobicContact CG2-CB 4.37Å; V195-V218 HydrophobicContact CG2-CG1 3.52Å; V195-M222 HydrophobicContact CG2-SD 3.92Å
196S98.5Very high98.2Very high54 Ų5460.8 Ų60.838%0.37832%0.322SS..Hα-helixtrans-58.4-46.4177.6-174.20000111.9T192 L193 N199 K200T192-S196 PolarHBondContact O-N 3.39Å; T192-S196 VanDerWaalsContact O-N 3.13Å; L193-S196 WeakPolarHBondContact O-CB 3.37Å; L193-S196 PolarHBondContact O-N 3.29Å; S196-N199 PolarHBondContact O-N 3.46Å; S196-K200 PolarHBondContact O-N 2.99Å
197D98.6Very high98.2Very high4 Ų466.9 Ų66.92%0.02135%0.345CS..Hα-helixtrans-69.1-34176-88.7-2.7000112.9R181 A182 Y185 L193 A194 V195 N199 K200 C201R181-D197 WeakPolarHBondContact CB-OD2 3.47Å; R181-D197 IonicContact CZ-OD1 2.78Å; R181-D197 IonicContact CZ-OD2 3.7Å; R181-D197 IonicContact NE-OD1 3.78Å; R181-D197 IonicContact NE-OD2 3.46Å; R181-D197 PolarHBondContact NE-OD2 3.17Å; R181-D197 IonicContact NH2-OD1 2.74Å; R181-D197 PolarHBondContact NH2-OD1 3.47Å; R181-D197 IonicContact NH2-OD2 3.2Å; R181-D197 PolarHBondContact NH2-OD2 3.3Å; A182-D197 HydrophobicContact CB-CB 3.86Å; Y185-D197 VanDerWaalsContact CE2-OD2 3.31Å; Y185-D197 WeakPolarHBondContact CE2-OD2 3.31Å; L193-D197 PolarHBondContact O-N 2.99Å; A194-D197 PolarHBondContact O-N 3.19Å; V195-D197 PolarHBondContact O-N 3.38Å; D197-N199 VanDerWaalsContact C-N 3.31Å; D197-N199 PolarHBondContact O-N 3.5Å; D197-K200 PolarHBondContact O-N 2.93Å; D197-C201 VanDerWaalsContact O-CB 3.24Å; D197-C201 WeakPolarHBondContact O-CB 3.46Å; D197-C201 PolarHBondContact O-N 2.96Å
198C98.7Very high98.2Very high1 Ų163.8 Ų63.81%0.00733%0.332CS..Hα-helixtrans-63.1-39.1172.9-67.10000111.8A194 V195 C201 I202 R214 K215A194-C198 PolarHBondContact O-N 3.24Å; A194-C198 PolarHBondContact O-SG 2.96Å; V195-C198 PolarHBondContact O-N 3.25Å; C198-C201 WeakPolarHBondContact O-CB 3.02Å; C198-C201 PolarHBondContact O-N 2.95Å; C198-I202 WeakPolarHBondContact O-CD1 3.31Å; C198-I202 VanDerWaalsContact O-CG1 3.27Å; C198-I202 WeakPolarHBondContact O-CG1 3.34Å; C198-I202 PolarHBondContact O-N 3.43Å; C198-R214 VanDerWaalsContact SG-CB 3.59Å; C198-K215 HydrophobicContact CB-CB 3.8Å; C198-K215 HydrophobicContact CB-CG 4.29Å; C198-K215 PolarHBondContact SG-N 3.49Å
199N98.6Very high98.1Very high55 Ų5562.4 Ų62.429%0.29432%0.324SS..Hα-helixtrans-64.8-45.7175-68.5-26.1000111.2V195 S196 D197 C201 I202 E203 K215V195-N199 PolarHBondContact O-N 3.28Å; V195-N199 PolarHBondContact O-ND2 3.44Å; S196-N199 PolarHBondContact O-N 3.46Å; D197-N199 VanDerWaalsContact C-N 3.31Å; D197-N199 PolarHBondContact O-N 3.5Å; N199-C201 VanDerWaalsContact C-N 3.31Å; N199-C201 PolarHBondContact O-N 2.74Å; N199-I202 PolarHBondContact O-N 3.22Å; N199-I202 VanDerWaalsContact O-N 3.16Å; N199-E203 WeakPolarHBondContact O-CG 3.4Å; N199-E203 PolarHBondContact O-N 3.32Å; N199-K215 WeakPolarHBondContact OD1-CE 3.3Å; N199-K215 PolarHBondContact OD1-NZ 3.42Å
200K98.5Very high98.1Very high89 Ų8958.5 Ų58.539%0.38730%0.303SS..Hα-helixtrans-61.3-37.7175-70.2-178.7-178.8177.20113.1Y178 S196 D197 E203 A204Y178-K200 HydrophobicContact CD1-CB 3.63Å; Y178-K200 HydrophobicContact CD1-CD 4.02Å; Y178-K200 HydrophobicContact CD1-CG 4.49Å; Y178-K200 HydrophobicContact CE1-CB 3.88Å; Y178-K200 HydrophobicContact CE1-CD 3.75Å; Y178-K200 HydrophobicContact CE1-CG 4.44Å; Y178-K200 HydrophobicContact CG-CB 4.02Å; S196-K200 PolarHBondContact O-N 2.99Å; D197-K200 PolarHBondContact O-N 2.93Å; K200-E203 PolarHBondContact O-N 3.09Å; K200-A204 VanDerWaalsContact O-CB 3.3Å; K200-A204 WeakPolarHBondContact O-CB 3.17Å; K200-A204 PolarHBondContact O-N 2.87Å
201C98.6Very high98.1Very high0 Ų054 Ų540%028%0.282CS..Hα-helixtrans-58.8-47.5173.61800000111.3A175 D197 C198 N199 A204 D205 F208 G211A175-C201 WeakPolarHBondContact CB-O 3.4Å; A175-C201 PolarHBondContact O-SG 3.11Å; D197-C201 VanDerWaalsContact O-CB 3.24Å; D197-C201 WeakPolarHBondContact O-CB 3.46Å; D197-C201 PolarHBondContact O-N 2.96Å; C198-C201 WeakPolarHBondContact O-CB 3.02Å; C198-C201 PolarHBondContact O-N 2.95Å; N199-C201 VanDerWaalsContact C-N 3.31Å; N199-C201 PolarHBondContact O-N 2.74Å; C201-A204 PolarHBondContact O-N 2.84Å; C201-D205 PolarHBondContact O-N 3.36Å; C201-F208 VanDerWaalsContact SG-CD1 3.59Å; C201-G211 VanDerWaalsContact SG-CA 3.5Å
202I98.4Very high98.2Very high24 Ų2452.7 Ų52.712%0.12328%0.276CS..Hα-helixtrans-68.5-37.4178.5-67.1161.4000111.5C198 N199 D205 P206 Y212 K215C198-I202 WeakPolarHBondContact O-CD1 3.31Å; C198-I202 VanDerWaalsContact O-CG1 3.27Å; C198-I202 WeakPolarHBondContact O-CG1 3.34Å; C198-I202 PolarHBondContact O-N 3.43Å; N199-I202 PolarHBondContact O-N 3.22Å; N199-I202 VanDerWaalsContact O-N 3.16Å; I202-D205 CarbonylContact O-C 3.34Å; I202-D205 VanDerWaalsContact O-C 3.28Å; I202-P206 VanDerWaalsContact O-CA 3.23Å; I202-P206 WeakPolarHBondContact O-CA 3.13Å; I202-P206 WeakPolarHBondContact O-CD 3.4Å; I202-P206 WeakPolarHBondContact O-CG 3.39Å; I202-Y212 HydrophobicContact CD1-CD1 3.69Å; I202-Y212 HydrophobicContact CD1-CE1 3.77Å; I202-Y212 HydrophobicContact CD1-CG 4.19Å; I202-Y212 HydrophobicContact CG1-CD1 4.15Å; I202-Y212 HydrophobicContact CG1-CD2 4.35Å; I202-Y212 HydrophobicContact CG1-CE1 3.99Å; I202-Y212 HydrophobicContact CG1-CE2 4.21Å; I202-Y212 HydrophobicContact CG1-CG 4.33Å; I202-Y212 HydrophobicContact CG2-CE1 3.84Å; I202-Y212 HydrophobicContact CG2-CE2 4.34Å; I202-Y212 WeakPolarHBondContact CG2-OH 3.42Å; I202-K215 HydrophobicContact CD1-CD 3.97Å
203E98.3Very high98.2Very high149 Ų14948.2 Ų48.270%0.69625%0.248SC*.Hα-helixtrans-64.6-40.1174.4-74168.9-167.900111.8N199 K200N199-E203 WeakPolarHBondContact O-CG 3.4Å; N199-E203 PolarHBondContact O-N 3.32Å; K200-E203 PolarHBondContact O-N 3.09Å
204A97.7Very high98.2Very high42 Ų4247 Ų4735%0.34724%0.238SC..Hα-helixtrans-70.5-42.1179.500000112.7A175 K200 C201A175-A204 HydrophobicContact CB-CB 3.97Å; K200-A204 VanDerWaalsContact O-CB 3.3Å; K200-A204 WeakPolarHBondContact O-CB 3.17Å; K200-A204 PolarHBondContact O-N 2.87Å; C201-A204 PolarHBondContact O-N 2.84Å
205D98Very high98.2Very high66 Ų6648.9 Ų48.935%0.35325%0.246SC..  trans-14297.5171.9-176.3-6.4000110.9A175 C201 I202 K207 F208A175-D205 HydrophobicContact CB-CB 3.64Å; C201-D205 PolarHBondContact O-N 3.36Å; I202-D205 CarbonylContact O-C 3.34Å; I202-D205 VanDerWaalsContact O-C 3.28Å; D205-K207 PolarHBondContact O-N 3.06Å; D205-K207 VanDerWaalsContact O-N 3.08Å; D205-K207 WeakPolarHBondContact OD1-CA 3.49Å; D205-K207 WeakPolarHBondContact OD1-CB 3.34Å; D205-K207 PolarHBondContact OD1-N 3.15Å; D205-F208 HydrophobicContact CB-CB 3.74Å; D205-F208 WeakPolarHBondContact O-CB 3.34Å; D205-F208 PolarHBondContact O-N 2.62Å; D205-F208 PolarHBondContact OD1-N 3.21Å
206P97.9Very high98.1Very high74 Ų7447.4 Ų47.448%0.48124%0.237SC..THydrogen-bonded Turntrans-63.5-13.7179.5-25.233.9000115.1I202 Y212I202-P206 VanDerWaalsContact O-CA 3.23Å; I202-P206 WeakPolarHBondContact O-CA 3.13Å; I202-P206 WeakPolarHBondContact O-CD 3.4Å; I202-P206 WeakPolarHBondContact O-CG 3.39Å; P206-Y212 VanDerWaalsContact O-CE2 3.27Å; P206-Y212 WeakPolarHBondContact O-CE2 3.42Å; P206-Y212 PolarHBondContact O-OH 3.22Å
207K97.6Very high98.1Very high169 Ų16947.1 Ų47.174%0.73524%0.238SC*.THydrogen-bonded Turntrans-96.8-7.6176.2-64-176.9179.2-179.20112.2D205 I209D205-K207 PolarHBondContact O-N 3.06Å; D205-K207 VanDerWaalsContact O-N 3.08Å; D205-K207 WeakPolarHBondContact OD1-CA 3.49Å; D205-K207 WeakPolarHBondContact OD1-CB 3.34Å; D205-K207 PolarHBondContact OD1-N 3.15Å; K207-I209 PolarHBondContact O-N 3.36Å
208F97.4Very high98.1Very high49 Ų4947 Ų4722%0.21524%0.238CC..  trans-7694.1179.8-173.4-132.4000111.2A175 K176 C201 D205 K210 G211A175-F208 HydrophobicContact CB-CB 4.41Å; A175-F208 HydrophobicContact CB-CD1 3.81Å; A175-F208 HydrophobicContact CB-CE1 4.47Å; A175-F208 HydrophobicContact CB-CG 4.39Å; K176-F208 HydrophobicContact CG-CE1 4.14Å; K176-F208 HydrophobicContact CG-CE2 4.38Å; K176-F208 HydrophobicContact CG-CZ 3.81Å; C201-F208 VanDerWaalsContact SG-CD1 3.59Å; D205-F208 HydrophobicContact CB-CB 3.74Å; D205-F208 WeakPolarHBondContact O-CB 3.34Å; D205-F208 PolarHBondContact O-N 2.62Å; D205-F208 PolarHBondContact OD1-N 3.21Å; F208-K210 HydrophobicContact CD1-CB 4.34Å; F208-K210 HydrophobicContact CE1-CB 3.79Å; F208-K210 HydrophobicContact CE2-CB 4Å; F208-K210 HydrophobicContact CZ-CB 3.58Å; F208-K210 HydrophobicContact CZ-CG 4.47Å; F208-K210 PolarHBondContact O-N 2.91Å; F208-G211 PolarHBondContact O-N 3.19Å
209I97.5Very high98Very high38 Ų3847.1 Ų47.120%0.19524%0.239CC..Hα-helixtrans-51.6-33.9-174.1-168.7165000114.1K207 G211 Y212 L213 A235 D239 C242K207-I209 PolarHBondContact O-N 3.36Å; I209-G211 PolarHBondContact O-N 3.08Å; I209-Y212 PolarHBondContact O-N 3.09Å; I209-L213 HydrophobicContact CG1-CD1 4.11Å; I209-L213 HydrophobicContact CG1-CG 4.16Å; I209-L213 PolarHBondContact O-N 3.1Å; I209-A235 HydrophobicContact CD1-CB 4.12Å; I209-A235 WeakPolarHBondContact CD1-O 3.4Å; I209-A235 HydrophobicContact CG1-CB 3.78Å; I209-D239 HydrophobicContact CD1-CB 3.37Å; I209-C242 HydrophobicContact CD1-CB 3.99Å
210K97.4Very high97.8Very high61 Ų6145.3 Ų45.327%0.26523%0.229SC..Hα-helixtrans-62.6-27.1-177.9-152.969.9179.9171.10112.6F208 L213 R214 E244F208-K210 HydrophobicContact CD1-CB 4.34Å; F208-K210 HydrophobicContact CE1-CB 3.79Å; F208-K210 HydrophobicContact CE2-CB 4Å; F208-K210 HydrophobicContact CZ-CB 3.58Å; F208-K210 HydrophobicContact CZ-CG 4.47Å; F208-K210 PolarHBondContact O-N 2.91Å; K210-L213 HydrophobicContact CD-CD1 4.07Å; K210-R214 WeakPolarHBondContact O-CB 3.27Å; K210-R214 VanDerWaalsContact O-CG 3.3Å; K210-R214 WeakPolarHBondContact O-CG 3.29Å; K210-R214 PolarHBondContact O-N 3.37Å; K210-E244 VanDerWaalsContact NZ-CD 3.34Å; K210-E244 IonicContact NZ-OE1 3.78Å; K210-E244 PolarHBondContact NZ-OE1 3.08Å; K210-E244 VanDerWaalsContact NZ-OE1 3.11Å; K210-E244 IonicContact NZ-OE2 2.63Å; K210-E244 PolarHBondContact NZ-OE2 3.4Å
211G98Very high97.6Very high0 Ų043.5 Ų43.50%023%0.231CC..Hα-helixtrans-61.8-45.817300000112.4C201 F208 I209 K215C201-G211 VanDerWaalsContact SG-CA 3.5Å; F208-G211 PolarHBondContact O-N 3.19Å; I209-G211 PolarHBondContact O-N 3.08Å; G211-K215 WeakPolarHBondContact O-CB 3.41Å; G211-K215 PolarHBondContact O-N 2.89Å
212Y98.6Very high97.4Very high26 Ų2647.4 Ų47.410%0.10225%0.25CC..Hα-helixtrans-70.2-41.6177.7-61.7-80.3000112.6I202 P206 I209 R214 K215 G216 K234 L238I202-Y212 HydrophobicContact CD1-CD1 3.69Å; I202-Y212 HydrophobicContact CD1-CE1 3.77Å; I202-Y212 HydrophobicContact CD1-CG 4.19Å; I202-Y212 HydrophobicContact CG1-CD1 4.15Å; I202-Y212 HydrophobicContact CG1-CD2 4.35Å; I202-Y212 HydrophobicContact CG1-CE1 3.99Å; I202-Y212 HydrophobicContact CG1-CE2 4.21Å; I202-Y212 HydrophobicContact CG1-CG 4.33Å; I202-Y212 HydrophobicContact CG2-CE1 3.84Å; I202-Y212 HydrophobicContact CG2-CE2 4.34Å; I202-Y212 WeakPolarHBondContact CG2-OH 3.42Å; P206-Y212 VanDerWaalsContact O-CE2 3.27Å; P206-Y212 WeakPolarHBondContact O-CE2 3.42Å; P206-Y212 PolarHBondContact O-OH 3.22Å; I209-Y212 PolarHBondContact O-N 3.09Å; Y212-R214 PolarHBondContact O-N 3.37Å; Y212-K215 PolarHBondContact O-N 2.88Å; Y212-G216 PolarHBondContact O-N 3.49Å; Y212-K234 HydrophobicContact CD1-CB 3.74Å; Y212-K234 HydrophobicContact CD1-CG 3.61Å; Y212-K234 HydrophobicContact CE1-CB 3.92Å; Y212-K234 HydrophobicContact CE1-CG 3.26Å; Y212-K234 HydrophobicContact CE2-CG 4.31Å; Y212-K234 HydrophobicContact CG-CB 4.33Å; Y212-K234 HydrophobicContact CG-CG 4.25Å; Y212-L238 HydrophobicContact CD2-CD1 3.74Å; Y212-L238 HydrophobicContact CE2-CD1 3.48Å; Y212-L238 VanDerWaalsContact CE2-CD1 3.48Å
213L98.5Very high97.1Very high4 Ų453.6 Ų53.62%0.02128%0.276CS..Hα-helixtrans-58.5-46.7176.5-68.5173.2000111.8I209 K210 G216 A217 F232 A235 E244 A245I209-L213 HydrophobicContact CG1-CD1 4.11Å; I209-L213 HydrophobicContact CG1-CG 4.16Å; I209-L213 PolarHBondContact O-N 3.1Å; K210-L213 HydrophobicContact CD-CD1 4.07Å; L213-G216 PolarHBondContact O-N 3.37Å; L213-A217 PolarHBondContact O-N 2.91Å; L213-F232 HydrophobicContact CD2-CD1 4.28Å; L213-F232 HydrophobicContact CD2-CE1 4.48Å; L213-A235 HydrophobicContact CD2-CB 3.9Å; L213-A235 HydrophobicContact CG-CB 4.24Å; L213-E244 HydrophobicContact CD1-CB 4.49Å; L213-E244 HydrophobicContact CD1-CG 4.44Å; L213-E244 HydrophobicContact CD2-CB 4.23Å; L213-E244 HydrophobicContact CD2-CG 4.17Å; L213-A245 HydrophobicContact CD2-CB 3.6Å
214R98.1Very high96.7Very high50 Ų5049.4 Ų49.419%0.18926%0.258CS..Hα-helixtrans-65.5-42.4177.2-70.9-173.4-169.1-76.115.5112.1S179 C198 K210 Y212 G216 A217 V218S179-R214 WeakPolarHBondContact O-CD 3.39Å; S179-R214 PolarHBondContact O-NE 3.48Å; S179-R214 VanDerWaalsContact OG-CD 3.31Å; S179-R214 WeakPolarHBondContact OG-CD 3.38Å; S179-R214 PolarHBondContact OG-NE 3.12Å; C198-R214 VanDerWaalsContact SG-CB 3.59Å; K210-R214 WeakPolarHBondContact O-CB 3.27Å; K210-R214 VanDerWaalsContact O-CG 3.3Å; K210-R214 WeakPolarHBondContact O-CG 3.29Å; K210-R214 PolarHBondContact O-N 3.37Å; Y212-R214 PolarHBondContact O-N 3.37Å; R214-G216 VanDerWaalsContact C-N 3.33Å; R214-G216 PolarHBondContact O-N 3.05Å; R214-A217 PolarHBondContact O-N 3.06Å; R214-V218 VanDerWaalsContact O-CG2 3.25Å; R214-V218 WeakPolarHBondContact O-CG2 3.41Å; R214-V218 PolarHBondContact O-N 2.87Å
215K98.5Very high96.4Very high41 Ų4147.9 Ų47.918%0.17824%0.244CC..Hα-helixtrans-57.6-48.1175.3-171.3170.4175.9169.90111C198 N199 I202 G211 Y212 A217 V218 C219 A231C198-K215 HydrophobicContact CB-CB 3.8Å; C198-K215 HydrophobicContact CB-CG 4.29Å; C198-K215 PolarHBondContact SG-N 3.49Å; N199-K215 WeakPolarHBondContact OD1-CE 3.3Å; N199-K215 PolarHBondContact OD1-NZ 3.42Å; I202-K215 HydrophobicContact CD1-CD 3.97Å; G211-K215 WeakPolarHBondContact O-CB 3.41Å; G211-K215 PolarHBondContact O-N 2.89Å; Y212-K215 PolarHBondContact O-N 2.88Å; K215-A217 PolarHBondContact O-N 3.31Å; K215-V218 PolarHBondContact O-N 2.94Å; K215-C219 WeakPolarHBondContact O-CB 3.27Å; K215-C219 PolarHBondContact O-N 2.98Å; K215-C219 PolarHBondContact O-SG 3.28Å; K215-A231 HydrophobicContact CB-CB 4.05Å; K215-A231 HydrophobicContact CD-CB 4.36Å; K215-A231 HydrophobicContact CG-CB 4.1Å
216G97.8Very high95.9Very high0 Ų046.5 Ų46.50%024%0.238CC..Hα-helixtrans-57.7-48.2177.700000112.4Y212 L213 R214 V218 C219 N220 A228 F232Y212-G216 PolarHBondContact O-N 3.49Å; L213-G216 PolarHBondContact O-N 3.37Å; R214-G216 VanDerWaalsContact C-N 3.33Å; R214-G216 PolarHBondContact O-N 3.05Å; G216-V218 PolarHBondContact O-N 3.15Å; G216-C219 PolarHBondContact O-N 2.81Å; G216-N220 WeakPolarHBondContact O-CB 3.42Å; G216-N220 PolarHBondContact O-N 3.47Å; G216-A228 WeakPolarHBondContact O-CB 3.36Å; G216-F232 VanDerWaalsContact C-CE2 3.42Å; G216-F232 VanDerWaalsContact CA-CZ 3.49Å
217A97.5Very high95.5Very high48 Ų4846.2 Ų46.240%0.39723%0.23SC..Hα-helixtrans-62.6-42.6179.300000112.7L213 R214 K215 N220 A221 F232L213-A217 PolarHBondContact O-N 2.91Å; R214-A217 PolarHBondContact O-N 3.06Å; K215-A217 PolarHBondContact O-N 3.31Å; A217-N220 PolarHBondContact O-N 3.45Å; A217-A221 PolarHBondContact O-N 3.23Å; A217-F232 VanDerWaalsContact N-CZ 3.3Å
218V97.8Very high95.4Very high1 Ų138.2 Ų38.21%0.00620%0.195CC..Hα-helixtrans-66.2-45177.5174.70000111.2T186 F191 A194 V195 R214 K215 G216 N220 A221 M222T186-V218 HydrophobicContact CG2-CG2 4.03Å; T186-V218 WeakPolarHBondContact OG1-CG2 3.34Å; F191-V218 HydrophobicContact CB-CG1 3.97Å; F191-V218 HydrophobicContact CD1-CG1 4.07Å; F191-V218 HydrophobicContact CG-CG1 4.44Å; A194-V218 HydrophobicContact CB-CG1 4Å; A194-V218 HydrophobicContact CB-CG2 3.77Å; V195-V218 HydrophobicContact CG2-CB 4.37Å; V195-V218 HydrophobicContact CG2-CG1 3.52Å; R214-V218 VanDerWaalsContact O-CG2 3.25Å; R214-V218 WeakPolarHBondContact O-CG2 3.41Å; R214-V218 PolarHBondContact O-N 2.87Å; K215-V218 PolarHBondContact O-N 2.94Å; G216-V218 PolarHBondContact O-N 3.15Å; V218-N220 VanDerWaalsContact C-N 3.32Å; V218-N220 PolarHBondContact O-N 2.88Å; V218-A221 WeakPolarHBondContact O-CB 3.35Å; V218-A221 PolarHBondContact O-N 3.45Å; V218-A221 VanDerWaalsContact O-N 3.12Å; V218-M222 HydrophobicContact CG1-SD 4.09Å; V218-M222 WeakPolarHBondContact O-CG 3.24Å; V218-M222 PolarHBondContact O-N 3.38Å
219C96.7Very high95.2Very high4 Ų436 Ų363%0.02719%0.185CC..Hα-helixtrans-62-39.6176.6-71.20000111.8K215 G216 A221 M222 K223 D224 Q227 A228K215-C219 WeakPolarHBondContact O-CB 3.27Å; K215-C219 PolarHBondContact O-N 2.98Å; K215-C219 PolarHBondContact O-SG 3.28Å; G216-C219 PolarHBondContact O-N 2.81Å; C219-A221 PolarHBondContact O-N 3.47Å; C219-M222 CarbonylContact O-C 3.57Å; C219-M222 PolarHBondContact O-N 2.92Å; C219-K223 PolarHBondContact O-N 3.35Å; C219-K223 VanDerWaalsContact O-N 3.11Å; C219-D224 HydrophobicContact CB-CB 4.38Å; C219-D224 PolarHBondContact O-N 3.3Å; C219-Q227 HydrophobicContact CB-CB 4.16Å; C219-A228 HydrophobicContact CB-CB 3.7Å
220N94.5Very high95Very high16 Ų1640.4 Ų40.49%0.08620%0.203CC..Hα-helixtrans-59.3-44.7171.5-92.3-6.5000111.8G216 A217 V218 M222 K223 A228 F232 G248 S252G216-N220 WeakPolarHBondContact O-CB 3.42Å; G216-N220 PolarHBondContact O-N 3.47Å; A217-N220 PolarHBondContact O-N 3.45Å; V218-N220 VanDerWaalsContact C-N 3.32Å; V218-N220 PolarHBondContact O-N 2.88Å; N220-M222 VanDerWaalsContact C-N 3.26Å; N220-M222 PolarHBondContact O-N 3.47Å; N220-K223 PolarHBondContact O-N 3.17Å; N220-A228 HydrophobicContact CB-CB 4.36Å; N220-A228 WeakPolarHBondContact OD1-CB 3.42Å; N220-F232 WeakPolarHBondContact ND2-CE2 3.36Å; N220-G248 PolarHBondContact ND2-O 2.97Å; N220-G248 VanDerWaalsContact ND2-O 3.08Å; N220-S252 WeakPolarHBondContact OD1-CA 3.37Å; N220-S252 WeakPolarHBondContact OD1-CB 3.21Å
221A94.7Very high94.9Very high52 Ų5237.8 Ų37.843%0.4319%0.193SC..Hα-helixtrans-63.1-32.9176.900000112.5F191 A217 V218 C219 K223F191-A221 HydrophobicContact CD1-CB 4.29Å; F191-A221 HydrophobicContact CE1-CB 3.66Å; F191-A221 HydrophobicContact CZ-CB 3.84Å; A217-A221 PolarHBondContact O-N 3.23Å; V218-A221 WeakPolarHBondContact O-CB 3.35Å; V218-A221 PolarHBondContact O-N 3.45Å; V218-A221 VanDerWaalsContact O-N 3.12Å; C219-A221 PolarHBondContact O-N 3.47Å; A221-K223 VanDerWaalsContact C-N 3.27Å; A221-K223 PolarHBondContact O-N 2.97Å
222M94.3Very high94.9Very high81 Ų8138 Ų3840%0.39919%0.194SC..THydrogen-bonded Turntrans-79.3-2.3173.6-65.6176.869.600114F191 V195 V218 C219 N220 D224F191-M222 HydrophobicContact CB-CE 4.47Å; F191-M222 HydrophobicContact CB-CG 3.49Å; F191-M222 VanDerWaalsContact CB-CG 3.49Å; F191-M222 HydrophobicContact CB-SD 3.53Å; F191-M222 VanDerWaalsContact CB-SD 3.53Å; F191-M222 HydrophobicContact CD2-CG 3.95Å; F191-M222 HydrophobicContact CG-CG 3.77Å; F191-M222 HydrophobicContact CG-SD 4.44Å; V195-M222 HydrophobicContact CG2-SD 3.92Å; V218-M222 HydrophobicContact CG1-SD 4.09Å; V218-M222 WeakPolarHBondContact O-CG 3.24Å; V218-M222 PolarHBondContact O-N 3.38Å; C219-M222 CarbonylContact O-C 3.57Å; C219-M222 PolarHBondContact O-N 2.92Å; N220-M222 VanDerWaalsContact C-N 3.26Å; N220-M222 PolarHBondContact O-N 3.47Å; M222-D224 PolarHBondContact O-N 3.31Å
223K91.9Very high94.7Very high154 Ų15438.5 Ų38.567%0.6720%0.196SC*.THydrogen-bonded Turntrans58.820.4-170.3-53.7-174.8177.6-171.40114.4C219 N220 A221 F225 R265C219-K223 PolarHBondContact O-N 3.35Å; C219-K223 VanDerWaalsContact O-N 3.11Å; N220-K223 PolarHBondContact O-N 3.17Å; A221-K223 VanDerWaalsContact C-N 3.27Å; A221-K223 PolarHBondContact O-N 2.97Å; K223-F225 HydrophobicContact CB-CE1 4.47Å; K223-F225 HydrophobicContact CB-CE2 3.96Å; K223-F225 HydrophobicContact CB-CZ 3.83Å; K223-F225 HydrophobicContact CG-CZ 4.03Å; K223-F225 WeakPolarHBondContact O-CD2 3.4Å; K223-F225 PolarHBondContact O-N 3.48Å; K223-F225 VanDerWaalsContact O-N 3.1Å; K223-R265 PolarHBondContact O-NH1 3.33Å
224D91.2Very high94.7Very high61 Ų6142.1 Ų42.133%0.32621%0.211SC..  trans-85.769.2168.7-170.1-11.7000109.3C219 M222 T226 Q227 A228C219-D224 HydrophobicContact CB-CB 4.38Å; C219-D224 PolarHBondContact O-N 3.3Å; M222-D224 PolarHBondContact O-N 3.31Å; D224-T226 PolarHBondContact O-N 3.11Å; D224-Q227 PolarHBondContact O-N 2.7Å; D224-Q227 WeakPolarHBondContact OD1-CG 3.41Å; D224-Q227 PolarHBondContact OD1-N 3.5Å; D224-Q227 VanDerWaalsContact OD1-N 3.17Å; D224-Q227 WeakPolarHBondContact OD2-CG 3.22Å; D224-A228 WeakPolarHBondContact O-CB 3.47Å; D224-A228 PolarHBondContact O-N 2.91Å
225F90Very high94.6Very high11 Ų1139.8 Ų39.85%0.04820%0.202CC..Hα-helixtrans-62.3-31.6-175-56-57.7000112.5K223 A228 R229 N255 D256K223-F225 HydrophobicContact CB-CE1 4.47Å; K223-F225 HydrophobicContact CB-CE2 3.96Å; K223-F225 HydrophobicContact CB-CZ 3.83Å; K223-F225 HydrophobicContact CG-CZ 4.03Å; K223-F225 WeakPolarHBondContact O-CD2 3.4Å; K223-F225 PolarHBondContact O-N 3.48Å; K223-F225 VanDerWaalsContact O-N 3.1Å; F225-A228 PolarHBondContact O-N 3.39Å; F225-R229 WeakPolarHBondContact O-CB 3.4Å; F225-R229 WeakPolarHBondContact O-CD 3.46Å; F225-R229 WeakPolarHBondContact O-CG 3.25Å; F225-R229 PolarHBondContact O-N 3Å; F225-N255 HydrophobicContact CD1-CB 4.49Å; F225-N255 HydrophobicContact CE1-CB 3.57Å; F225-N255 VanDerWaalsContact CE2-O 3.32Å; F225-N255 WeakPolarHBondContact CE2-O 3.4Å; F225-N255 HydrophobicContact CZ-CB 3.68Å; F225-N255 WeakPolarHBondContact CZ-O 3.43Å; F225-D256 HydrophobicContact CB-CB 4.38Å; F225-D256 HydrophobicContact CD2-CB 3.64Å; F225-D256 VanDerWaalsContact CD2-OD1 3.31Å; F225-D256 WeakPolarHBondContact CD2-OD1 3.45Å; F225-D256 HydrophobicContact CE2-CB 4.09Å; F225-D256 HydrophobicContact CG-CB 4.05Å
226T87.1Confident94.5Very high36 Ų3639.4 Ų39.422%0.22120%0.202CC..Hα-helixtrans-62.5-49.4176.7-52.20000111.1D224 A228 K230D224-T226 PolarHBondContact O-N 3.11Å; T226-A228 VanDerWaalsContact C-N 3.34Å; T226-K230 PolarHBondContact O-N 3.11Å
227Q91Very high94.5Very high69 Ų6945.6 Ų45.632%0.32223%0.231SC..Hα-helixtrans-68.9-33.9176.3-67.4-60.9-36.900112.3C219 D224 K230 A231C219-Q227 HydrophobicContact CB-CB 4.16Å; D224-Q227 PolarHBondContact O-N 2.7Å; D224-Q227 WeakPolarHBondContact OD1-CG 3.41Å; D224-Q227 PolarHBondContact OD1-N 3.5Å; D224-Q227 VanDerWaalsContact OD1-N 3.17Å; D224-Q227 WeakPolarHBondContact OD2-CG 3.22Å; Q227-K230 PolarHBondContact O-N 3.07Å; Q227-A231 PolarHBondContact O-N 3.32Å
228A95.1Very high94.4Very high0 Ų046.5 Ų46.50%023%0.229CC..Hα-helixtrans-61.2-50.8176.900000111.8G216 C219 N220 D224 F225 T226 K230 A231 F232G216-A228 WeakPolarHBondContact O-CB 3.36Å; C219-A228 HydrophobicContact CB-CB 3.7Å; N220-A228 HydrophobicContact CB-CB 4.36Å; N220-A228 WeakPolarHBondContact OD1-CB 3.42Å; D224-A228 WeakPolarHBondContact O-CB 3.47Å; D224-A228 PolarHBondContact O-N 2.91Å; F225-A228 PolarHBondContact O-N 3.39Å; T226-A228 VanDerWaalsContact C-N 3.34Å; A228-K230 VanDerWaalsContact C-N 3.35Å; A228-K230 PolarHBondContact O-N 3.36Å; A228-A231 PolarHBondContact O-N 3.34Å; A228-A231 VanDerWaalsContact O-N 3.15Å; A228-F232 HydrophobicContact CB-CD2 4.44Å; A228-F232 HydrophobicContact CB-CE2 4.2Å; A228-F232 WeakPolarHBondContact O-CD2 3.35Å; A228-F232 PolarHBondContact O-N 3.01Å
229R93.2Very high94.4Very high3 Ų349.5 Ų49.51%0.01125%0.245CC..Hα-helixtrans-57.8-46.1178.3-69.1165.6-173.5168.88.3111.7F225 A231 F232 R233 L249 S252 Y253 D256 D312F225-R229 WeakPolarHBondContact O-CB 3.4Å; F225-R229 WeakPolarHBondContact O-CD 3.46Å; F225-R229 WeakPolarHBondContact O-CG 3.25Å; F225-R229 PolarHBondContact O-N 3Å; R229-A231 VanDerWaalsContact C-N 3.32Å; R229-A231 PolarHBondContact O-N 2.69Å; R229-F232 PolarHBondContact O-N 3.09Å; R229-R233 WeakPolarHBondContact O-CB 3.48Å; R229-R233 WeakPolarHBondContact O-CG 3.46Å; R229-R233 PolarHBondContact O-N 3.06Å; R229-L249 HydrophobicContact CB-CD1 3.87Å; R229-L249 HydrophobicContact CG-CD1 3.85Å; R229-S252 WeakPolarHBondContact CG-OG 3.16Å; R229-S252 PolarHBondContact NE-O 3.23Å; R229-S252 PolarHBondContact NH2-O 3.47Å; R229-Y253 HydrophobicContact CG-CE2 4.48Å; R229-Y253 VanDerWaalsContact CZ-CD1 3.4Å; R229-Y253 VanDerWaalsContact CZ-CE1 3.45Å; R229-Y253 VanDerWaalsContact NE-CE1 3.32Å; R229-D256 IonicContact CZ-OD2 3.46Å; R229-D256 IonicContact NH1-OD2 3.43Å; R229-D256 PolarHBondContact NH1-OD2 3.1Å; R229-D256 IonicContact NH2-OD2 2.75Å; R229-D256 PolarHBondContact NH2-OD2 3.12Å; R229-D312 VanDerWaalsContact CB-OD1 3.23Å; R229-D312 WeakPolarHBondContact CB-OD1 3.34Å; R229-D312 WeakPolarHBondContact CD-O 3.48Å; R229-D312 PolarHBondContact NH1-O 3.38Å
230K92.7Very high94.4Very high130 Ų13053.2 Ų53.257%0.56527%0.269SS*.Hα-helixtrans-57.1-44.3176.2-174.3174.1-177.5171.20112.1T226 Q227 A228 K234T226-K230 PolarHBondContact O-N 3.11Å; Q227-K230 PolarHBondContact O-N 3.07Å; A228-K230 VanDerWaalsContact C-N 3.35Å; A228-K230 PolarHBondContact O-N 3.36Å; K230-K234 PolarHBondContact O-N 3.47Å; K230-K234 VanDerWaalsContact O-N 3.1Å
231A96.7Very high94.4Very high6 Ų658.7 Ų58.75%0.0530%0.298CS..Hα-helixtrans-67.1-46.5178.500000112.2K215 Q227 A228 R229 R233 K234 A235K215-A231 HydrophobicContact CB-CB 4.05Å; K215-A231 HydrophobicContact CD-CB 4.36Å; K215-A231 HydrophobicContact CG-CB 4.1Å; Q227-A231 PolarHBondContact O-N 3.32Å; A228-A231 PolarHBondContact O-N 3.34Å; A228-A231 VanDerWaalsContact O-N 3.15Å; R229-A231 VanDerWaalsContact C-N 3.32Å; R229-A231 PolarHBondContact O-N 2.69Å; A231-R233 PolarHBondContact O-N 3.03Å; A231-K234 PolarHBondContact O-N 2.99Å; A231-A235 PolarHBondContact O-N 2.99Å
232F97.6Very high94.5Very high5 Ų556.9 Ų56.92%0.02228%0.282CS..Hα-helixtrans-65.7-38178.8-69.3-56.3000113.1L213 G216 A217 N220 A228 R229 K234 A235 L236 A245 G248 L249L213-F232 HydrophobicContact CD2-CD1 4.28Å; L213-F232 HydrophobicContact CD2-CE1 4.48Å; G216-F232 VanDerWaalsContact C-CE2 3.42Å; G216-F232 VanDerWaalsContact CA-CZ 3.49Å; A217-F232 VanDerWaalsContact N-CZ 3.3Å; N220-F232 WeakPolarHBondContact ND2-CE2 3.36Å; A228-F232 HydrophobicContact CB-CD2 4.44Å; A228-F232 HydrophobicContact CB-CE2 4.2Å; A228-F232 WeakPolarHBondContact O-CD2 3.35Å; A228-F232 PolarHBondContact O-N 3.01Å; R229-F232 PolarHBondContact O-N 3.09Å; F232-K234 VanDerWaalsContact C-N 3.31Å; F232-K234 PolarHBondContact O-N 3.46Å; F232-A235 WeakPolarHBondContact O-CB 3.36Å; F232-A235 PolarHBondContact O-N 3.22Å; F232-A235 VanDerWaalsContact O-N 3.17Å; F232-L236 WeakPolarHBondContact O-CG 3.47Å; F232-L236 PolarHBondContact O-N 3.25Å; F232-A245 HydrophobicContact CD1-CB 4.44Å; F232-G248 VanDerWaalsContact CE2-O 3.31Å; F232-G248 WeakPolarHBondContact CE2-O 3.49Å; F232-L249 HydrophobicContact CB-CB 3.93Å; F232-L249 HydrophobicContact CB-CD1 4.4Å; F232-L249 HydrophobicContact CG-CB 4.47Å
233R95Very high94.7Very high37 Ų3756.3 Ų56.314%0.1429%0.286CS..Hα-helixtrans-62.4-41.3172.8-75.3179.2177.8-173.22.4111.7R229 A231 A235 L236 E237 L249 Y253 M308 I311 D312R229-R233 WeakPolarHBondContact O-CB 3.48Å; R229-R233 WeakPolarHBondContact O-CG 3.46Å; R229-R233 PolarHBondContact O-N 3.06Å; A231-R233 PolarHBondContact O-N 3.03Å; R233-A235 VanDerWaalsContact C-N 3.26Å; R233-A235 PolarHBondContact O-N 3.45Å; R233-L236 CarbonylContact O-C 3.36Å; R233-L236 PolarHBondContact O-N 3.35Å; R233-L236 VanDerWaalsContact O-N 3.09Å; R233-E237 WeakPolarHBondContact O-CG 3.39Å; R233-E237 PolarHBondContact O-N 3.45Å; R233-L249 HydrophobicContact CG-CD1 4.18Å; R233-L249 HydrophobicContact CG-CD2 4.09Å; R233-Y253 PolarHBondContact NH2-OH 2.94Å; R233-M308 PolarHBondContact NH1-O 2.85Å; R233-I311 VanDerWaalsContact NH2-CG2 3.27Å; R233-D312 WeakPolarHBondContact CD-OD1 3.37Å; R233-D312 IonicContact CZ-OD1 3.3Å; R233-D312 IonicContact CZ-OD2 2.73Å; R233-D312 IonicContact NE-OD1 2.75Å; R233-D312 PolarHBondContact NE-OD1 3.1Å; R233-D312 IonicContact NE-OD2 3.54Å; R233-D312 IonicContact NH1-OD1 3.58Å; R233-D312 PolarHBondContact NH1-OD1 3.18Å; R233-D312 IonicContact NH1-OD2 3.14Å; R233-D312 PolarHBondContact NH1-OD2 3.45Å; R233-D312 IonicContact NH2-OD1 2.67Å; R233-D312 PolarHBondContact NH2-OD1 3.3Å
234K96.7Very high94.9Very high80 Ų8052.8 Ų52.835%0.34827%0.272SS..Hα-helixtrans-64-34.1174.9-166.754.6174.2-178.30112.5Y212 K230 A231 F232 E237 L238Y212-K234 HydrophobicContact CD1-CB 3.74Å; Y212-K234 HydrophobicContact CD1-CG 3.61Å; Y212-K234 HydrophobicContact CE1-CB 3.92Å; Y212-K234 HydrophobicContact CE1-CG 3.26Å; Y212-K234 HydrophobicContact CE2-CG 4.31Å; Y212-K234 HydrophobicContact CG-CB 4.33Å; Y212-K234 HydrophobicContact CG-CG 4.25Å; K230-K234 PolarHBondContact O-N 3.47Å; K230-K234 VanDerWaalsContact O-N 3.1Å; A231-K234 PolarHBondContact O-N 2.99Å; F232-K234 VanDerWaalsContact C-N 3.31Å; F232-K234 PolarHBondContact O-N 3.46Å; K234-E237 HydrophobicContact CD-CB 4.41Å; K234-E237 WeakPolarHBondContact CD-OE2 3.45Å; K234-E237 WeakPolarHBondContact CE-OE2 3.46Å; K234-E237 IonicContact NZ-OE2 3.43Å; K234-E237 PolarHBondContact NZ-OE2 3.45Å; K234-E237 PolarHBondContact O-N 3.18Å; K234-L238 WeakPolarHBondContact O-CG 3.29Å; K234-L238 PolarHBondContact O-N 2.95Å
235A97.6Very high95.2Very high0 Ų049.9 Ų49.90%026%0.257CS..Hα-helixtrans-63.5-44.3170.400000111.7I209 L213 A231 F232 R233 E237 L238 D239 A245I209-A235 HydrophobicContact CD1-CB 4.12Å; I209-A235 WeakPolarHBondContact CD1-O 3.4Å; I209-A235 HydrophobicContact CG1-CB 3.78Å; L213-A235 HydrophobicContact CD2-CB 3.9Å; L213-A235 HydrophobicContact CG-CB 4.24Å; A231-A235 PolarHBondContact O-N 2.99Å; F232-A235 WeakPolarHBondContact O-CB 3.36Å; F232-A235 PolarHBondContact O-N 3.22Å; F232-A235 VanDerWaalsContact O-N 3.17Å; R233-A235 VanDerWaalsContact C-N 3.26Å; R233-A235 PolarHBondContact O-N 3.45Å; A235-E237 VanDerWaalsContact C-N 3.33Å; A235-E237 PolarHBondContact O-N 3Å; A235-L238 PolarHBondContact O-N 3.13Å; A235-L238 VanDerWaalsContact O-N 3.12Å; A235-D239 PolarHBondContact O-N 3.5Å; A235-A245 HydrophobicContact CB-CB 3.87Å
236L96.6Very high95.5Very high34 Ų3455.5 Ų55.518%0.17828%0.278CS..Hα-helixtrans-67.9-27.7176.7-70168000113.7F232 R233 L238 D239 P240 A245 R246 L249F232-L236 WeakPolarHBondContact O-CG 3.47Å; F232-L236 PolarHBondContact O-N 3.25Å; R233-L236 CarbonylContact O-C 3.36Å; R233-L236 PolarHBondContact O-N 3.35Å; R233-L236 VanDerWaalsContact O-N 3.09Å; L236-L238 VanDerWaalsContact C-N 3.29Å; L236-D239 WeakPolarHBondContact CA-O 3.3Å; L236-D239 CarbonylContact O-C 3.5Å; L236-P240 VanDerWaalsContact O-CA 3.27Å; L236-P240 WeakPolarHBondContact O-CA 3.41Å; L236-P240 VanDerWaalsContact O-N 3.15Å; L236-A245 HydrophobicContact CD1-CB 4.47Å; L236-A245 HydrophobicContact CD2-CB 3.77Å; L236-A245 HydrophobicContact CG-CB 3.69Å; L236-R246 HydrophobicContact CD2-CB 4.43Å; L236-L249 HydrophobicContact CD1-CD2 3.83Å
237E96Very high96Very high129 Ų12959.4 Ų59.460%0.60329%0.293SS*.Hα-helixtrans-66.5-32.8170.4-74.7174.6-157.400112R233 K234 A235R233-E237 WeakPolarHBondContact O-CG 3.39Å; R233-E237 PolarHBondContact O-N 3.45Å; K234-E237 HydrophobicContact CD-CB 4.41Å; K234-E237 WeakPolarHBondContact CD-OE2 3.45Å; K234-E237 WeakPolarHBondContact CE-OE2 3.46Å; K234-E237 IonicContact NZ-OE2 3.43Å; K234-E237 PolarHBondContact NZ-OE2 3.45Å; K234-E237 PolarHBondContact O-N 3.18Å; A235-E237 VanDerWaalsContact C-N 3.33Å; A235-E237 PolarHBondContact O-N 3Å
238L96.8Very high96.2Very high67 Ų6756.3 Ų56.335%0.35128%0.28SS..Hα-helixtrans-83.7-38.1178.6-68172.1000112.3Y212 K234 A235 L236Y212-L238 HydrophobicContact CD2-CD1 3.74Å; Y212-L238 HydrophobicContact CE2-CD1 3.48Å; Y212-L238 VanDerWaalsContact CE2-CD1 3.48Å; K234-L238 WeakPolarHBondContact O-CG 3.29Å; K234-L238 PolarHBondContact O-N 2.95Å; A235-L238 PolarHBondContact O-N 3.13Å; A235-L238 VanDerWaalsContact O-N 3.12Å; L236-L238 VanDerWaalsContact C-N 3.29Å
239D96.7Very high96.2Very high65 Ų6557.5 Ų57.535%0.34829%0.286SS..  trans-141.396176.5-179.25.3000110I209 A235 L236 D241 C242I209-D239 HydrophobicContact CD1-CB 3.37Å; A235-D239 PolarHBondContact O-N 3.5Å; L236-D239 WeakPolarHBondContact CA-O 3.3Å; L236-D239 CarbonylContact O-C 3.5Å; D239-D241 PolarHBondContact O-N 2.77Å; D239-D241 VanDerWaalsContact O-N 3.15Å; D239-D241 PolarHBondContact OD1-N 3.09Å; D239-D241 VanDerWaalsContact OD1-N 3.13Å; D239-C242 HydrophobicContact CB-CB 4.12Å; D239-C242 VanDerWaalsContact O-CB 3.29Å; D239-C242 WeakPolarHBondContact O-CB 3.42Å; D239-C242 PolarHBondContact O-N 3.07Å; D239-C242 VanDerWaalsContact O-N 3.17Å
240P96.2Very high96.1Very high81 Ų8160.6 Ų60.653%0.52631%0.308SS..THydrogen-bonded Turntrans-60.1-22.5-179.9-26.736000114.6L236 R246L236-P240 VanDerWaalsContact O-CA 3.27Å; L236-P240 WeakPolarHBondContact O-CA 3.41Å; L236-P240 VanDerWaalsContact O-N 3.15Å; P240-R246 PolarHBondContact O-NH2 3.49Å
241D96.4Very high96.1Very high132 Ų13259.1 Ų59.171%0.70630%0.304SS*.THydrogen-bonded Turntrans-92.10.2-177.1-68.4-38.7000113.1D239 S243D239-D241 PolarHBondContact O-N 2.77Å; D239-D241 VanDerWaalsContact O-N 3.15Å; D239-D241 PolarHBondContact OD1-N 3.09Å; D239-D241 VanDerWaalsContact OD1-N 3.13Å; D241-S243 PolarHBondContact O-N 2.84Å
242C96.8Very high95.8Very high14 Ų1458.9 Ų58.910%0.09530%0.301CS..  trans-64.7102.7-179.2-170.70000112.3I209 D239 E244 A245 R246I209-C242 HydrophobicContact CD1-CB 3.99Å; D239-C242 HydrophobicContact CB-CB 4.12Å; D239-C242 VanDerWaalsContact O-CB 3.29Å; D239-C242 WeakPolarHBondContact O-CB 3.42Å; D239-C242 PolarHBondContact O-N 3.07Å; D239-C242 VanDerWaalsContact O-N 3.17Å; C242-E244 PolarHBondContact O-N 3.1Å; C242-A245 HydrophobicContact CB-CB 3.94Å; C242-A245 PolarHBondContact O-N 3.19Å; C242-R246 PolarHBondContact O-N 3.04Å; C242-R246 VanDerWaalsContact O-N 3.16Å
243S97.1Very high95.3Very high69 Ų6962.2 Ų62.248%0.48331%0.314SS..Hα-helixtrans-61.6-43.4178.559.80000112.4D241 A245 R246 E247D241-S243 PolarHBondContact O-N 2.84Å; S243-A245 VanDerWaalsContact C-N 3.27Å; S243-A245 PolarHBondContact O-N 2.85Å; S243-R246 PolarHBondContact O-N 3.44Å; S243-R246 VanDerWaalsContact O-N 3.1Å; S243-E247 WeakPolarHBondContact O-CB 3.28Å; S243-E247 WeakPolarHBondContact O-CG 3.22Å; S243-E247 PolarHBondContact O-N 3.15Å
244E97.1Very high94.8Very high80 Ų8064.3 Ų64.337%0.37433%0.331SS..Hα-helixtrans-57.5-40178.1-172.1179.7164.700111.4K210 L213 C242 G248K210-E244 VanDerWaalsContact NZ-CD 3.34Å; K210-E244 IonicContact NZ-OE1 3.78Å; K210-E244 PolarHBondContact NZ-OE1 3.08Å; K210-E244 VanDerWaalsContact NZ-OE1 3.11Å; K210-E244 IonicContact NZ-OE2 2.63Å; K210-E244 PolarHBondContact NZ-OE2 3.4Å; L213-E244 HydrophobicContact CD1-CB 4.49Å; L213-E244 HydrophobicContact CD1-CG 4.44Å; L213-E244 HydrophobicContact CD2-CB 4.23Å; L213-E244 HydrophobicContact CD2-CG 4.17Å; C242-E244 PolarHBondContact O-N 3.1Å; E244-G248 PolarHBondContact O-N 3.25Å
245A97.1Very high94.3Very high0 Ų064.3 Ų64.30%034%0.335CS..Hα-helixtrans-68.3-43.3176.300000112.1L213 F232 A235 L236 C242 S243 G248 L249L213-A245 HydrophobicContact CD2-CB 3.6Å; F232-A245 HydrophobicContact CD1-CB 4.44Å; A235-A245 HydrophobicContact CB-CB 3.87Å; L236-A245 HydrophobicContact CD1-CB 4.47Å; L236-A245 HydrophobicContact CD2-CB 3.77Å; L236-A245 HydrophobicContact CG-CB 3.69Å; C242-A245 HydrophobicContact CB-CB 3.94Å; C242-A245 PolarHBondContact O-N 3.19Å; S243-A245 VanDerWaalsContact C-N 3.27Å; S243-A245 PolarHBondContact O-N 2.85Å; A245-G248 PolarHBondContact O-N 3.49Å; A245-L249 VanDerWaalsContact O-CB 3.23Å; A245-L249 WeakPolarHBondContact O-CB 3.47Å; A245-L249 PolarHBondContact O-N 3.25Å
246R96.8Very high93.5Very high129 Ų12965.2 Ų65.249%0.48734%0.34SS..Hα-helixtrans-66.1-41.9-179.4-161.5180-63.7130.7-1.7111.6L236 P240 C242 S243 S250L236-R246 HydrophobicContact CD2-CB 4.43Å; P240-R246 PolarHBondContact O-NH2 3.49Å; C242-R246 PolarHBondContact O-N 3.04Å; C242-R246 VanDerWaalsContact O-N 3.16Å; S243-R246 PolarHBondContact O-N 3.44Å; S243-R246 VanDerWaalsContact O-N 3.1Å; R246-S250 WeakPolarHBondContact O-CB 3.4Å; R246-S250 PolarHBondContact O-N 2.94Å
247E96.2Very high92.4Very high117 Ų11770.2 Ų70.255%0.54737%0.367SS..Hα-helixtrans-64.1-48.6174.3-73.2173.1-16100111.3S243 L249 S250 Q251S243-E247 WeakPolarHBondContact O-CB 3.28Å; S243-E247 WeakPolarHBondContact O-CG 3.22Å; S243-E247 PolarHBondContact O-N 3.15Å; E247-L249 VanDerWaalsContact C-N 3.3Å; E247-L249 PolarHBondContact O-N 3.43Å; E247-S250 WeakPolarHBondContact O-CB 3.35Å; E247-S250 PolarHBondContact O-N 3.43Å; E247-Q251 WeakPolarHBondContact O-CB 3.26Å; E247-Q251 VanDerWaalsContact O-CG 3.32Å; E247-Q251 WeakPolarHBondContact O-CG 3.48Å; E247-Q251 PolarHBondContact O-N 3.05Å
248G96Very high91.5Very high5 Ų568 Ų685%0.05236%0.359CS..Hα-helixtrans-61.6-38.3177.800000113N220 F232 E244 A245 S252N220-G248 PolarHBondContact ND2-O 2.97Å; N220-G248 VanDerWaalsContact ND2-O 3.08Å; F232-G248 VanDerWaalsContact CE2-O 3.31Å; F232-G248 WeakPolarHBondContact CE2-O 3.49Å; E244-G248 PolarHBondContact O-N 3.25Å; A245-G248 PolarHBondContact O-N 3.49Å; G248-S252 WeakPolarHBondContact O-CB 3.22Å; G248-S252 PolarHBondContact O-N 3.36Å
249L94.1Very high90.3Very high25 Ų2569.6 Ų69.613%0.13137%0.374CS..Hα-helixtrans-64.8-47.5173.4-176.661.9000111R229 F232 R233 L236 A245 E247 Q251 S252 Y253R229-L249 HydrophobicContact CB-CD1 3.87Å; R229-L249 HydrophobicContact CG-CD1 3.85Å; F232-L249 HydrophobicContact CB-CB 3.93Å; F232-L249 HydrophobicContact CB-CD1 4.4Å; F232-L249 HydrophobicContact CG-CB 4.47Å; R233-L249 HydrophobicContact CG-CD1 4.18Å; R233-L249 HydrophobicContact CG-CD2 4.09Å; L236-L249 HydrophobicContact CD1-CD2 3.83Å; A245-L249 VanDerWaalsContact O-CB 3.23Å; A245-L249 WeakPolarHBondContact O-CB 3.47Å; A245-L249 PolarHBondContact O-N 3.25Å; E247-L249 VanDerWaalsContact C-N 3.3Å; E247-L249 PolarHBondContact O-N 3.43Å; L249-Q251 PolarHBondContact O-N 3.17Å; L249-S252 PolarHBondContact O-N 3.42Å; L249-S252 PolarHBondContact O-OG 3.14Å; L249-Y253 HydrophobicContact CD1-CD2 4.47Å; L249-Y253 HydrophobicContact CD1-CE2 3.69Å; L249-Y253 HydrophobicContact CG-CD2 4.39Å; L249-Y253 HydrophobicContact CG-CE2 3.82Å; L249-Y253 WeakPolarHBondContact O-CD2 3.29Å; L249-Y253 PolarHBondContact O-N 2.88Å
250S91.9Very high89.3Confident68 Ų6874.1 Ų74.148%0.47639%0.393SS..Hα-helixtrans-57.6-48.1175.5-173.10000111.7R246 E247 S252 Y253 T254R246-S250 WeakPolarHBondContact O-CB 3.4Å; R246-S250 PolarHBondContact O-N 2.94Å; E247-S250 WeakPolarHBondContact O-CB 3.35Å; E247-S250 PolarHBondContact O-N 3.43Å; S250-S252 VanDerWaalsContact C-N 3.25Å; S250-S252 PolarHBondContact O-N 3.44Å; S250-Y253 WeakPolarHBondContact O-CB 3.36Å; S250-Y253 PolarHBondContact O-N 3.14Å; S250-T254 PolarHBondContact O-N 2.76Å
251Q92.1Very high88.5Confident99 Ų9971.9 Ų71.946%0.46338%0.381SS..Hα-helixtrans-58.3-36.8177.1-73.9174.49.800112.7E247 L249 Y253 T254 N255E247-Q251 WeakPolarHBondContact O-CB 3.26Å; E247-Q251 VanDerWaalsContact O-CG 3.32Å; E247-Q251 WeakPolarHBondContact O-CG 3.48Å; E247-Q251 PolarHBondContact O-N 3.05Å; L249-Q251 PolarHBondContact O-N 3.17Å; Q251-Y253 PolarHBondContact O-N 3.3Å; Q251-T254 WeakPolarHBondContact CA-OG1 3.49Å; Q251-T254 PolarHBondContact O-N 2.84Å; Q251-T254 PolarHBondContact O-OG1 3.32Å; Q251-T254 VanDerWaalsContact O-OG1 3.11Å; Q251-N255 VanDerWaalsContact O-CB 3.27Å; Q251-N255 WeakPolarHBondContact O-CB 3.47Å; Q251-N255 PolarHBondContact O-N 3.12Å; Q251-N255 PolarHBondContact O-ND2 3.42Å
252S91.2Very high87.4Confident0 Ų065.8 Ų65.80%035%0.349CS..Hα-helixtrans-68.3-22.417876.50000113.2N220 R229 G248 L249 S250N220-S252 WeakPolarHBondContact OD1-CA 3.37Å; N220-S252 WeakPolarHBondContact OD1-CB 3.21Å; R229-S252 WeakPolarHBondContact CG-OG 3.16Å; R229-S252 PolarHBondContact NE-O 3.23Å; R229-S252 PolarHBondContact NH2-O 3.47Å; G248-S252 WeakPolarHBondContact O-CB 3.22Å; G248-S252 PolarHBondContact O-N 3.36Å; L249-S252 PolarHBondContact O-N 3.42Å; L249-S252 PolarHBondContact O-OG 3.14Å; S250-S252 VanDerWaalsContact C-N 3.25Å; S250-S252 PolarHBondContact O-N 3.44Å
253Y86Confident86.5Confident75 Ų7572.6 Ų72.629%0.29437%0.373SS..Hα-helixtrans-83.2-44.8171-72-67.3000111.6R229 R233 L249 S250 Q251 N255 D256 I311R229-Y253 HydrophobicContact CG-CE2 4.48Å; R229-Y253 VanDerWaalsContact CZ-CD1 3.4Å; R229-Y253 VanDerWaalsContact CZ-CE1 3.45Å; R229-Y253 VanDerWaalsContact NE-CE1 3.32Å; R233-Y253 PolarHBondContact NH2-OH 2.94Å; L249-Y253 HydrophobicContact CD1-CD2 4.47Å; L249-Y253 HydrophobicContact CD1-CE2 3.69Å; L249-Y253 HydrophobicContact CG-CD2 4.39Å; L249-Y253 HydrophobicContact CG-CE2 3.82Å; L249-Y253 WeakPolarHBondContact O-CD2 3.29Å; L249-Y253 PolarHBondContact O-N 2.88Å; S250-Y253 WeakPolarHBondContact O-CB 3.36Å; S250-Y253 PolarHBondContact O-N 3.14Å; Q251-Y253 PolarHBondContact O-N 3.3Å; Y253-N255 VanDerWaalsContact C-N 3.32Å; Y253-N255 PolarHBondContact O-N 3.16Å; Y253-D256 PolarHBondContact O-N 3.24Å; Y253-I311 HydrophobicContact CE1-CG2 4.35Å; Y253-I311 WeakPolarHBondContact CE1-O 3.32Å; Y253-I311 PolarHBondContact OH-O 3.36Å
254T85.8Confident85.8Confident82 Ų8276.4 Ų76.450%0.50338%0.38SS..Hα-helixtrans-68-31.4-177.859.70000113S250 Q251 D256S250-T254 PolarHBondContact O-N 2.76Å; Q251-T254 WeakPolarHBondContact CA-OG1 3.49Å; Q251-T254 PolarHBondContact O-N 2.84Å; Q251-T254 PolarHBondContact O-OG1 3.32Å; Q251-T254 VanDerWaalsContact O-OG1 3.11Å; T254-D256 VanDerWaalsContact C-N 3.34Å
255N85.4Confident85.1Confident80 Ų8076.7 Ų76.743%0.42838%0.378SS..THydrogen-bonded Turntrans-86.9-7.1-178.3-64.6-10000113.2F225 Q251 Y253 D257F225-N255 HydrophobicContact CD1-CB 4.49Å; F225-N255 HydrophobicContact CE1-CB 3.57Å; F225-N255 VanDerWaalsContact CE2-O 3.32Å; F225-N255 WeakPolarHBondContact CE2-O 3.4Å; F225-N255 HydrophobicContact CZ-CB 3.68Å; F225-N255 WeakPolarHBondContact CZ-O 3.43Å; Q251-N255 VanDerWaalsContact O-CB 3.27Å; Q251-N255 WeakPolarHBondContact O-CB 3.47Å; Q251-N255 PolarHBondContact O-N 3.12Å; Q251-N255 PolarHBondContact O-ND2 3.42Å; Y253-N255 VanDerWaalsContact C-N 3.32Å; Y253-N255 PolarHBondContact O-N 3.16Å; N255-D257 PolarHBondContact O-N 2.96Å
256D82.1Confident84.3Confident18 Ų1876.9 Ų76.910%0.09638%0.38CS..  trans-85.959.4178-162.417.9000110F225 R229 Y253 T254 D258 R265F225-D256 HydrophobicContact CB-CB 4.38Å; F225-D256 HydrophobicContact CD2-CB 3.64Å; F225-D256 VanDerWaalsContact CD2-OD1 3.31Å; F225-D256 WeakPolarHBondContact CD2-OD1 3.45Å; F225-D256 HydrophobicContact CE2-CB 4.09Å; F225-D256 HydrophobicContact CG-CB 4.05Å; R229-D256 IonicContact CZ-OD2 3.46Å; R229-D256 IonicContact NH1-OD2 3.43Å; R229-D256 PolarHBondContact NH1-OD2 3.1Å; R229-D256 IonicContact NH2-OD2 2.75Å; R229-D256 PolarHBondContact NH2-OD2 3.12Å; Y253-D256 PolarHBondContact O-N 3.24Å; T254-D256 VanDerWaalsContact C-N 3.34Å; D256-D258 PolarHBondContact O-N 3.49Å; D256-D258 VanDerWaalsContact O-N 3.12Å; D256-R265 IonicContact OD1-CZ 3.19Å; D256-R265 IonicContact OD1-NH2 2.69Å; D256-R265 PolarHBondContact OD1-NH2 2.97Å; D256-R265 IonicContact OD2-NH2 2.8Å
257D72.4Confident83.6Confident140 Ų14074.7 Ų74.775%0.74938%0.376SS*.  trans-72.51-168.4-71.7-42.6000114.9N255 P259N255-D257 PolarHBondContact O-N 2.96Å; D257-P259 WeakPolarHBondContact O-CD 3.23Å
258D76.3Confident83.1Confident83 Ų8374.9 Ų74.944%0.44438%0.381SS..  trans-117.589.7177.5-173.3-14.9000110.3D256 E260 A261 A262D256-D258 PolarHBondContact O-N 3.49Å; D256-D258 VanDerWaalsContact O-N 3.12Å; D258-E260 PolarHBondContact O-N 3.38Å; D258-E260 WeakPolarHBondContact OD1-CB 3.43Å; D258-E260 PolarHBondContact OD1-N 3.37Å; D258-A261 HydrophobicContact CB-CB 3.86Å; D258-A261 PolarHBondContact O-N 3.29Å; D258-A261 PolarHBondContact OD1-N 2.73Å; D258-A261 VanDerWaalsContact OD2-CB 3.26Å; D258-A261 WeakPolarHBondContact OD2-CB 2.96Å; D258-A262 WeakPolarHBondContact O-CB 3.18Å; D258-A262 PolarHBondContact O-N 3.31Å
259P71.5Confident82.6Confident100 Ų10077.3 Ų77.365%0.64939%0.393SS*.Hα-helixtrans-57.9-30.2177.9-24.633.3000113.1D257 R263D257-P259 WeakPolarHBondContact O-CD 3.23Å; P259-R263 VanDerWaalsContact O-CB 3.24Å; P259-R263 WeakPolarHBondContact O-CB 3.46Å; P259-R263 PolarHBondContact O-N 2.91Å
260E77.2Confident82.4Confident160 Ų16081.2 Ų81.275%0.74842%0.42SS*.Hα-helixtrans-76.3-41.7-177.9-156.5171.5-160.600110.4D258 R263 K264D258-E260 PolarHBondContact O-N 3.38Å; D258-E260 WeakPolarHBondContact OD1-CB 3.43Å; D258-E260 PolarHBondContact OD1-N 3.37Å; E260-R263 PolarHBondContact O-N 3.28Å; E260-K264 WeakPolarHBondContact O-CB 3.14Å; E260-K264 PolarHBondContact O-N 3.24Å
261A79.6Confident82.2Confident34 Ų3482.2 Ų82.228%0.28142%0.417SS..Hα-helixtrans-67.7-37.4171.200000112.8D258 K264 R265D258-A261 HydrophobicContact CB-CB 3.86Å; D258-A261 PolarHBondContact O-N 3.29Å; D258-A261 PolarHBondContact OD1-N 2.73Å; D258-A261 VanDerWaalsContact OD2-CB 3.26Å; D258-A261 WeakPolarHBondContact OD2-CB 2.96Å; A261-K264 PolarHBondContact O-N 3.3Å; A261-R265 WeakPolarHBondContact O-CB 3.48Å; A261-R265 WeakPolarHBondContact O-CG 3.05Å; A261-R265 PolarHBondContact O-N 2.92Å; A261-R265 PolarHBondContact O-NE 3.44Å
262A73.2Confident82.1Confident4 Ų477.8 Ų77.83%0.03340%0.396CS..Hα-helixtrans-60-49.7171.900000110.6D258 K264 R265 A266D258-A262 WeakPolarHBondContact O-CB 3.18Å; D258-A262 PolarHBondContact O-N 3.31Å; A262-K264 PolarHBondContact O-N 2.7Å; A262-R265 PolarHBondContact O-N 2.85Å; A262-A266 VanDerWaalsContact O-CB 3.3Å; A262-A266 WeakPolarHBondContact O-CB 3.43Å; A262-A266 PolarHBondContact O-N 3.3Å
263R77.4Confident81.9Confident157 Ų15779.6 Ų79.659%0.59241%0.411SS*.Hα-helixtrans-59.7-43.4175.6-175.5179179.4-152.30.4112.1P259 E260 A266 M267 L315P259-R263 VanDerWaalsContact O-CB 3.24Å; P259-R263 WeakPolarHBondContact O-CB 3.46Å; P259-R263 PolarHBondContact O-N 2.91Å; E260-R263 PolarHBondContact O-N 3.28Å; R263-A266 WeakPolarHBondContact O-CB 3.09Å; R263-A266 PolarHBondContact O-N 3.17Å; R263-M267 HydrophobicContact CG-CE 4.17Å; R263-M267 HydrophobicContact CG-CG 4.41Å; R263-M267 WeakPolarHBondContact O-CG 3.23Å; R263-M267 PolarHBondContact O-N 3.1Å; R263-L315 HydrophobicContact CB-CD2 4.02Å; R263-L315 HydrophobicContact CG-CD2 3.75Å
264K82.6Confident82.2Confident148 Ų14879.2 Ų79.264%0.64342%0.419SS*.Hα-helixtrans-63.7-44178.2-172.2177.6-179.6179.20112E260 A261 A262 A266 M267 N268E260-K264 WeakPolarHBondContact O-CB 3.14Å; E260-K264 PolarHBondContact O-N 3.24Å; A261-K264 PolarHBondContact O-N 3.3Å; A262-K264 PolarHBondContact O-N 2.7Å; K264-A266 VanDerWaalsContact C-N 3.35Å; K264-M267 PolarHBondContact O-N 3.16Å; K264-N268 PolarHBondContact O-N 3.45Å; K264-N268 PolarHBondContact O-ND2 3.01Å
265R81.1Confident82.5Confident87 Ų8775.6 Ų75.633%0.32840%0.397SS..Hα-helixtrans-60.6-45.5174.3-78.1-179.6-70.2168.6-0.8111.2K223 D256 A261 A262 M267 N268 D269K223-R265 PolarHBondContact O-NH1 3.33Å; D256-R265 IonicContact OD1-CZ 3.19Å; D256-R265 IonicContact OD1-NH2 2.69Å; D256-R265 PolarHBondContact OD1-NH2 2.97Å; D256-R265 IonicContact OD2-NH2 2.8Å; A261-R265 WeakPolarHBondContact O-CB 3.48Å; A261-R265 WeakPolarHBondContact O-CG 3.05Å; A261-R265 PolarHBondContact O-N 2.92Å; A261-R265 PolarHBondContact O-NE 3.44Å; A262-R265 PolarHBondContact O-N 2.85Å; R265-M267 PolarHBondContact O-N 2.87Å; R265-N268 PolarHBondContact O-N 3.4Å; R265-D269 PolarHBondContact O-N 3.08Å
266A80.4Confident82.6Confident4 Ų473.4 Ų73.43%0.03339%0.385CS..Hα-helixtrans-60.5-44178.100000112.5A262 R263 K264 N268 D269 I272 A313 L315A262-A266 VanDerWaalsContact O-CB 3.3Å; A262-A266 WeakPolarHBondContact O-CB 3.43Å; A262-A266 PolarHBondContact O-N 3.3Å; R263-A266 WeakPolarHBondContact O-CB 3.09Å; R263-A266 PolarHBondContact O-N 3.17Å; K264-A266 VanDerWaalsContact C-N 3.35Å; A266-N268 PolarHBondContact O-N 2.93Å; A266-D269 WeakPolarHBondContact O-CB 3.4Å; A266-D269 PolarHBondContact O-N 2.97Å; A266-D269 VanDerWaalsContact O-N 3.16Å; A266-I272 HydrophobicContact CB-CG2 4.16Å; A266-I272 WeakPolarHBondContact O-CB 3.49Å; A266-I272 WeakPolarHBondContact O-CG2 3.37Å; A266-A313 HydrophobicContact CB-CB 3.62Å; A266-L315 HydrophobicContact CB-CD1 3.62Å; A266-L315 HydrophobicContact CB-CD2 3.74Å; A266-L315 HydrophobicContact CB-CG 3.58Å
267M83.2Confident83Confident82 Ų8275.8 Ų75.840%0.40440%0.403SS..Hα-helixtrans-68.7-23.3178.7-65.3-71.2154.100113.4R263 K264 R265 L276 L315R263-M267 HydrophobicContact CG-CE 4.17Å; R263-M267 HydrophobicContact CG-CG 4.41Å; R263-M267 WeakPolarHBondContact O-CG 3.23Å; R263-M267 PolarHBondContact O-N 3.1Å; K264-M267 PolarHBondContact O-N 3.16Å; R265-M267 PolarHBondContact O-N 2.87Å; M267-L276 HydrophobicContact CE-CD1 3.2Å; M267-L276 HydrophobicContact SD-CD1 3.54Å; M267-L276 VanDerWaalsContact SD-CD1 3.54Å; M267-L315 HydrophobicContact CE-CD1 4.26Å; M267-L315 HydrophobicContact CE-CD2 3.97Å
268N86.4Confident84Confident122 Ų12271.2 Ų71.265%0.65238%0.378SS*.Hα-helixtrans-82.3-13.4175.1-71.4-18000112.9K264 R265 A266 P270K264-N268 PolarHBondContact O-N 3.45Å; K264-N268 PolarHBondContact O-ND2 3.01Å; R265-N268 PolarHBondContact O-N 3.4Å; A266-N268 PolarHBondContact O-N 2.93Å; N268-P270 WeakPolarHBondContact O-CD 3.42Å
269D85Confident84.7Confident56 Ų5671.8 Ų71.830%0.29939%0.387SS..SBendtrans-77.7115.7173.1-175.1-29.4000109.2R265 A266 E271 I272 A273R265-D269 PolarHBondContact O-N 3.08Å; A266-D269 WeakPolarHBondContact O-CB 3.4Å; A266-D269 PolarHBondContact O-N 2.97Å; A266-D269 VanDerWaalsContact O-N 3.16Å; D269-E271 PolarHBondContact O-N 2.93Å; D269-E271 WeakPolarHBondContact OD1-CB 3.31Å; D269-E271 PolarHBondContact OD1-N 3.43Å; D269-I272 HydrophobicContact CB-CB 4Å; D269-I272 HydrophobicContact CB-CG1 3.79Å; D269-I272 PolarHBondContact O-N 3.44Å; D269-I272 VanDerWaalsContact O-N 3.14Å; D269-A273 WeakPolarHBondContact O-CB 3.38Å; D269-A273 PolarHBondContact O-N 3.32Å
270P88.9Confident85.7Confident107 Ų10769.6 Ų69.670%0.69538%0.377SS*.Hα-helixtrans-58.1-32.1-177.8-2434.4000113.4N268 S274N268-P270 WeakPolarHBondContact O-CD 3.42Å; P270-S274 WeakPolarHBondContact O-CB 3.44Å; P270-S274 PolarHBondContact O-N 3Å
271E88.6Confident86.3Confident89 Ų8962 Ų6242%0.41634%0.342SS..Hα-helixtrans-68.4-46.6178.7-174.5169.7-155.200110.3D269 S274 I275 K309D269-E271 PolarHBondContact O-N 2.93Å; D269-E271 WeakPolarHBondContact OD1-CB 3.31Å; D269-E271 PolarHBondContact OD1-N 3.43Å; E271-S274 PolarHBondContact O-N 3.39Å; E271-S274 PolarHBondContact O-OG 3.11Å; E271-I275 HydrophobicContact CG-CD1 4.43Å; E271-I275 WeakPolarHBondContact O-CG1 3.48Å; E271-I275 PolarHBondContact O-N 3.19Å; E271-K309 HydrophobicContact CG-CD 4.32Å; E271-K309 VanDerWaalsContact OE1-CE 3.24Å; E271-K309 WeakPolarHBondContact OE1-CE 3.43Å; E271-K309 IonicContact OE1-NZ 3.29Å; E271-K309 PolarHBondContact OE1-NZ 3.31Å
272I89Confident86.8Confident5 Ų567.1 Ų67.13%0.02635%0.353CS..Hα-helixtrans-64.7-43.4176.3-61-64.7000111.3A266 D269 S274 I275 L276 K309 L310 A313 L315A266-I272 HydrophobicContact CB-CG2 4.16Å; A266-I272 WeakPolarHBondContact O-CB 3.49Å; A266-I272 WeakPolarHBondContact O-CG2 3.37Å; D269-I272 HydrophobicContact CB-CB 4Å; D269-I272 HydrophobicContact CB-CG1 3.79Å; D269-I272 PolarHBondContact O-N 3.44Å; D269-I272 VanDerWaalsContact O-N 3.14Å; I272-S274 VanDerWaalsContact C-N 3.27Å; I272-S274 PolarHBondContact O-N 3.48Å; I272-I275 PolarHBondContact O-N 3.49Å; I272-I275 VanDerWaalsContact O-N 3.15Å; I272-L276 HydrophobicContact CG2-CD1 3.88Å; I272-L276 HydrophobicContact CG2-CG 4.37Å; I272-L276 WeakPolarHBondContact O-CG 3.44Å; I272-L276 PolarHBondContact O-N 2.95Å; I272-K309 HydrophobicContact CD1-CB 3.94Å; I272-K309 WeakPolarHBondContact CD1-O 3.31Å; I272-L310 HydrophobicContact CD1-CD2 4.18Å; I272-L310 HydrophobicContact CG2-CD2 3.91Å; I272-A313 HydrophobicContact CD1-CB 3.8Å; I272-A313 HydrophobicContact CG1-CB 4.09Å; I272-L315 HydrophobicContact CG2-CD1 3.5Å; I272-L315 VanDerWaalsContact CG2-CD1 3.5Å
273A88.7Confident87.5Confident39 Ų3972.1 Ų72.132%0.32238%0.379SS..Hα-helixtrans-60.3-37.2175.500000112D269 L276 S277D269-A273 WeakPolarHBondContact O-CB 3.38Å; D269-A273 PolarHBondContact O-N 3.32Å; A273-L276 PolarHBondContact O-N 3.12Å; A273-S277 WeakPolarHBondContact O-CB 3.46Å; A273-S277 PolarHBondContact O-N 3.26Å; A273-S277 PolarHBondContact O-OG 2.86Å
274S91.6Very high88Confident66 Ų6665.3 Ų65.346%0.46235%0.354SS..Hα-helixtrans-65.6-42.1174.486.50000111.7P270 E271 I272 L276 S277 D278P270-S274 WeakPolarHBondContact O-CB 3.44Å; P270-S274 PolarHBondContact O-N 3Å; E271-S274 PolarHBondContact O-N 3.39Å; E271-S274 PolarHBondContact O-OG 3.11Å; I272-S274 VanDerWaalsContact C-N 3.27Å; I272-S274 PolarHBondContact O-N 3.48Å; S274-L276 VanDerWaalsContact C-N 3.34Å; S274-L276 PolarHBondContact O-N 2.96Å; S274-S277 WeakPolarHBondContact CA-OG 3.46Å; S274-S277 PolarHBondContact O-N 2.85Å; S274-S277 PolarHBondContact O-OG 3.21Å; S274-S277 VanDerWaalsContact O-OG 3.09Å; S274-D278 PolarHBondContact O-N 3.11Å
275I91.3Very high88.2Confident6 Ų660 Ų603%0.03133%0.333CS..Hα-helixtrans-64.4-41.3178.7-66.9166.1000110.4E271 I272 S277 D278 M281 K306 K309 L310E271-I275 HydrophobicContact CG-CD1 4.43Å; E271-I275 WeakPolarHBondContact O-CG1 3.48Å; E271-I275 PolarHBondContact O-N 3.19Å; I272-I275 PolarHBondContact O-N 3.49Å; I272-I275 VanDerWaalsContact O-N 3.15Å; I275-S277 VanDerWaalsContact C-N 3.32Å; I275-S277 PolarHBondContact O-N 2.95Å; I275-D278 PolarHBondContact O-N 3.06Å; I275-M281 HydrophobicContact CG2-CB 4.45Å; I275-M281 HydrophobicContact CG2-CE 4.04Å; I275-M281 HydrophobicContact CG2-CG 4.09Å; I275-M281 VanDerWaalsContact O-CB 3.22Å; I275-M281 WeakPolarHBondContact O-CB 3.46Å; I275-K306 HydrophobicContact CD1-CB 4.26Å; I275-K306 HydrophobicContact CD1-CG 4.26Å; I275-K306 HydrophobicContact CG1-CB 4.36Å; I275-K306 HydrophobicContact CG1-CG 4.1Å; I275-K306 HydrophobicContact CG2-CB 3.97Å; I275-K306 HydrophobicContact CG2-CG 4.42Å; I275-K309 HydrophobicContact CD1-CB 3.96Å; I275-K309 HydrophobicContact CD1-CD 3.74Å; I275-L310 HydrophobicContact CB-CD2 4.37Å; I275-L310 HydrophobicContact CG2-CD1 3.86Å; I275-L310 HydrophobicContact CG2-CD2 3.92Å; I275-L310 HydrophobicContact CG2-CG 3.94Å
276L88.6Confident88.4Confident35 Ų3561.8 Ų61.818%0.18335%0.349CS..Hα-helixtrans-76.6-16.1179.8-67.5171.8000114M267 I272 A273 S274 R282 L285 L310 L315M267-L276 HydrophobicContact CE-CD1 3.2Å; M267-L276 HydrophobicContact SD-CD1 3.54Å; M267-L276 VanDerWaalsContact SD-CD1 3.54Å; I272-L276 HydrophobicContact CG2-CD1 3.88Å; I272-L276 HydrophobicContact CG2-CG 4.37Å; I272-L276 WeakPolarHBondContact O-CG 3.44Å; I272-L276 PolarHBondContact O-N 2.95Å; A273-L276 PolarHBondContact O-N 3.12Å; S274-L276 VanDerWaalsContact C-N 3.34Å; S274-L276 PolarHBondContact O-N 2.96Å; L276-R282 WeakPolarHBondContact O-CG 3.2Å; L276-R282 PolarHBondContact O-NE 3.14Å; L276-R282 PolarHBondContact O-NH2 2.98Å; L276-L285 HydrophobicContact CD2-CD1 3.83Å; L276-L310 HydrophobicContact CD2-CD1 4.33Å; L276-L310 HydrophobicContact CD2-CD2 3.91Å; L276-L310 HydrophobicContact CG-CD2 4Å; L276-L315 HydrophobicContact CD1-CD1 3.84Å
277S90.3Very high88.5Confident67 Ų6766.1 Ų66.147%0.46937%0.368SS..Hα-helixtrans-94.2-15.5174.551.60000113.2A273 S274 I275 P279A273-S277 WeakPolarHBondContact O-CB 3.46Å; A273-S277 PolarHBondContact O-N 3.26Å; A273-S277 PolarHBondContact O-OG 2.86Å; S274-S277 WeakPolarHBondContact CA-OG 3.46Å; S274-S277 PolarHBondContact O-N 2.85Å; S274-S277 PolarHBondContact O-OG 3.21Å; S274-S277 VanDerWaalsContact O-OG 3.09Å; I275-S277 VanDerWaalsContact C-N 3.32Å; I275-S277 PolarHBondContact O-N 2.95Å; S277-P279 VanDerWaalsContact O-CD 3.3Å; S277-P279 WeakPolarHBondContact O-CD 3.49Å
278D92.6Very high88.2Confident44 Ų4464 Ų6424%0.23536%0.358CS..  trans-61.9115.8172.4-179.2-13.6000110.6S274 I275 A280 M281 R282 K306S274-D278 PolarHBondContact O-N 3.11Å; I275-D278 PolarHBondContact O-N 3.06Å; D278-A280 PolarHBondContact O-N 3.31Å; D278-A280 WeakPolarHBondContact OD1-CB 3.3Å; D278-A280 PolarHBondContact OD1-N 3.45Å; D278-M281 HydrophobicContact CB-CB 4.04Å; D278-M281 HydrophobicContact CB-CG 4.11Å; D278-M281 PolarHBondContact O-N 3.41Å; D278-M281 VanDerWaalsContact O-N 3.13Å; D278-R282 PolarHBondContact O-N 3.19Å; D278-K306 IonicContact OD2-NZ 3.46Å; D278-K306 PolarHBondContact OD2-NZ 3.32Å
279P92.5Very high87.5Confident96 Ų9663.5 Ų63.562%0.62336%0.364SS*.Hα-helixtrans-57.8-34.1-179.4-25.435000113.7S277 R282 L283S277-P279 VanDerWaalsContact O-CD 3.3Å; S277-P279 WeakPolarHBondContact O-CD 3.49Å; P279-R282 PolarHBondContact O-N 3.39Å; P279-L283 WeakPolarHBondContact O-CG 3.35Å; P279-L283 PolarHBondContact O-N 3.46Å
280A90.8Very high87.1Confident53 Ų5364.4 Ų64.444%0.43837%0.369SS..Hα-helixtrans-68.2-41.9178.200000110.9D278 L283 I284D278-A280 PolarHBondContact O-N 3.31Å; D278-A280 WeakPolarHBondContact OD1-CB 3.3Å; D278-A280 PolarHBondContact OD1-N 3.45Å; A280-L283 PolarHBondContact O-N 3.06Å; A280-I284 WeakPolarHBondContact O-CD1 3.37Å; A280-I284 VanDerWaalsContact O-CG1 3.28Å; A280-I284 WeakPolarHBondContact O-CG1 3.3Å; A280-I284 PolarHBondContact O-N 3.17Å; A280-I284 VanDerWaalsContact O-N 3.08Å
281M91Very high86Confident1 Ų164 Ų641%0.00537%0.366CS..Hα-helixtrans-66.2-38.4175.6-75.5-60.1-53.500112.4I275 D278 L283 I284 L285 I303 K306 L307 L310I275-M281 HydrophobicContact CG2-CB 4.45Å; I275-M281 HydrophobicContact CG2-CE 4.04Å; I275-M281 HydrophobicContact CG2-CG 4.09Å; I275-M281 VanDerWaalsContact O-CB 3.22Å; I275-M281 WeakPolarHBondContact O-CB 3.46Å; D278-M281 HydrophobicContact CB-CB 4.04Å; D278-M281 HydrophobicContact CB-CG 4.11Å; D278-M281 PolarHBondContact O-N 3.41Å; D278-M281 VanDerWaalsContact O-N 3.13Å; M281-L283 VanDerWaalsContact C-N 3.34Å; M281-L283 PolarHBondContact O-N 3.43Å; M281-I284 PolarHBondContact O-N 3.2Å; M281-I284 HydrophobicContact SD-CD1 4.01Å; M281-L285 WeakPolarHBondContact O-CB 3.36Å; M281-L285 VanDerWaalsContact O-CG 3.26Å; M281-L285 WeakPolarHBondContact O-CG 3.42Å; M281-L285 PolarHBondContact O-N 2.76Å; M281-I303 HydrophobicContact SD-CG2 4.34Å; M281-K306 HydrophobicContact CE-CB 3.88Å; M281-K306 HydrophobicContact CG-CD 3.69Å; M281-K306 HydrophobicContact SD-CB 3.84Å; M281-K306 HydrophobicContact SD-CD 3.6Å; M281-K306 HydrophobicContact SD-CG 4.36Å; M281-L307 HydrophobicContact CE-CD2 3.9Å; M281-L307 HydrophobicContact CE-CG 4.23Å; M281-L310 HydrophobicContact CE-CD1 4.26Å
282R89.2Confident85.4Confident141 Ų14164.5 Ų64.553%0.53238%0.375SS..Hα-helixtrans-58.6-46.1174.5-72.5-175.7178.2-178.31112L276 D278 P279 I284 L285 D286L276-R282 WeakPolarHBondContact O-CG 3.2Å; L276-R282 PolarHBondContact O-NE 3.14Å; L276-R282 PolarHBondContact O-NH2 2.98Å; D278-R282 PolarHBondContact O-N 3.19Å; P279-R282 PolarHBondContact O-N 3.39Å; R282-I284 VanDerWaalsContact C-N 3.3Å; R282-I284 PolarHBondContact O-N 3.49Å; R282-L285 PolarHBondContact O-N 3.16Å; R282-D286 PolarHBondContact O-N 3.16Å
283L88.7Confident84.6Confident110 Ų11065.1 Ų65.158%0.57638%0.382SS*.Hα-helixtrans-59.8-40.5175.5-72.3166.5000112.1P279 A280 M281 Q287P279-L283 WeakPolarHBondContact O-CG 3.35Å; P279-L283 PolarHBondContact O-N 3.46Å; A280-L283 PolarHBondContact O-N 3.06Å; M281-L283 VanDerWaalsContact C-N 3.34Å; M281-L283 PolarHBondContact O-N 3.43Å; L283-Q287 VanDerWaalsContact O-CG 3.3Å; L283-Q287 WeakPolarHBondContact O-CG 3.38Å; L283-Q287 PolarHBondContact O-N 2.93Å
284I87.8Confident83.7Confident13 Ų1364.2 Ų64.27%0.06737%0.371CS..Hα-helixtrans-65.3-44.9176.7-68.3160.2000111A280 M281 R282 D286 Q287 M288 H297 I303A280-I284 WeakPolarHBondContact O-CD1 3.37Å; A280-I284 VanDerWaalsContact O-CG1 3.28Å; A280-I284 WeakPolarHBondContact O-CG1 3.3Å; A280-I284 PolarHBondContact O-N 3.17Å; A280-I284 VanDerWaalsContact O-N 3.08Å; M281-I284 PolarHBondContact O-N 3.2Å; M281-I284 HydrophobicContact SD-CD1 4.01Å; R282-I284 VanDerWaalsContact C-N 3.3Å; R282-I284 PolarHBondContact O-N 3.49Å; I284-D286 VanDerWaalsContact C-N 3.34Å; I284-D286 PolarHBondContact O-N 3.18Å; I284-Q287 WeakPolarHBondContact O-CB 3.09Å; I284-Q287 PolarHBondContact O-N 3.1Å; I284-M288 WeakPolarHBondContact O-CG 3.46Å; I284-M288 PolarHBondContact O-N 2.94Å; I284-M288 VanDerWaalsContact O-N 3.16Å; I284-H297 HydrophobicContact CG2-CB 4.24Å; I284-I303 HydrophobicContact CD1-CD1 3.59Å; I284-I303 HydrophobicContact CD1-CG1 3.94Å; I284-I303 HydrophobicContact CD1-CG2 3.91Å; I284-I303 HydrophobicContact CG2-CG2 4.29Å
285L85.7Confident82.9Confident38 Ų3870.7 Ų70.720%0.19939%0.385CS..Hα-helixtrans-63.8-38.2178.9-68.7175.2000111.9L276 M281 R282 Q287 M288 L307 L310 I316L276-L285 HydrophobicContact CD2-CD1 3.83Å; M281-L285 WeakPolarHBondContact O-CB 3.36Å; M281-L285 VanDerWaalsContact O-CG 3.26Å; M281-L285 WeakPolarHBondContact O-CG 3.42Å; M281-L285 PolarHBondContact O-N 2.76Å; R282-L285 PolarHBondContact O-N 3.16Å; L285-Q287 VanDerWaalsContact C-N 3.28Å; L285-Q287 PolarHBondContact O-N 2.92Å; L285-M288 HydrophobicContact CD2-SD 3.54Å; L285-M288 VanDerWaalsContact CD2-SD 3.54Å; L285-M288 WeakPolarHBondContact O-CB 3.43Å; L285-M288 PolarHBondContact O-N 3.24Å; L285-M288 VanDerWaalsContact O-N 3.16Å; L285-L307 HydrophobicContact CD2-CD2 4Å; L285-L310 HydrophobicContact CD1-CD1 3.98Å; L285-L310 HydrophobicContact CD2-CD1 3.86Å; L285-L310 HydrophobicContact CG-CD1 4.44Å; L285-I316 HydrophobicContact CD2-CD1 4.35Å; L285-I316 HydrophobicContact CD2-CG2 4.23Å
286D85.5Confident82.3Confident124 Ų12473.2 Ų73.266%0.66341%0.407SS*.Hα-helixtrans-63.5-35.3174.4-73.3-17.7000111.8R282 I284 M288 S289R282-D286 PolarHBondContact O-N 3.16Å; I284-D286 VanDerWaalsContact C-N 3.34Å; I284-D286 PolarHBondContact O-N 3.18Å; D286-M288 VanDerWaalsContact C-N 3.32Å; D286-M288 PolarHBondContact O-N 2.7Å; D286-S289 PolarHBondContact O-OG 3.34Å
287Q83.9Confident81.9Confident94 Ų9473.3 Ų73.344%0.43941%0.407SS..Hα-helixtrans-75.1-14.4175.7-70174.70.100113.9L283 I284 L285 S289 D290 A293 H297L283-Q287 VanDerWaalsContact O-CG 3.3Å; L283-Q287 WeakPolarHBondContact O-CG 3.38Å; L283-Q287 PolarHBondContact O-N 2.93Å; I284-Q287 WeakPolarHBondContact O-CB 3.09Å; I284-Q287 PolarHBondContact O-N 3.1Å; L285-Q287 VanDerWaalsContact C-N 3.28Å; L285-Q287 PolarHBondContact O-N 2.92Å; Q287-S289 PolarHBondContact O-N 3.48Å; Q287-D290 PolarHBondContact O-N 3.43Å; Q287-A293 HydrophobicContact CB-CB 4.3Å; Q287-H297 PolarHBondContact OE1-NE2 3.49Å
288M76.6Confident81.4Confident39 Ų3972.7 Ų72.719%0.19240%0.398CS..THydrogen-bonded Turntrans-65.7-9.7-179.4-71.3-170.456.200114.1I284 L285 D286 D290 L294 L307 I316I284-M288 WeakPolarHBondContact O-CG 3.46Å; I284-M288 PolarHBondContact O-N 2.94Å; I284-M288 VanDerWaalsContact O-N 3.16Å; L285-M288 HydrophobicContact CD2-SD 3.54Å; L285-M288 VanDerWaalsContact CD2-SD 3.54Å; L285-M288 WeakPolarHBondContact O-CB 3.43Å; L285-M288 PolarHBondContact O-N 3.24Å; L285-M288 VanDerWaalsContact O-N 3.16Å; D286-M288 VanDerWaalsContact C-N 3.32Å; D286-M288 PolarHBondContact O-N 2.7Å; M288-D290 PolarHBondContact O-N 3.42Å; M288-L294 HydrophobicContact CE-CD1 3.75Å; M288-L294 HydrophobicContact CE-CD2 3.98Å; M288-L294 HydrophobicContact CG-CD1 4.08Å; M288-L294 HydrophobicContact SD-CD1 4.13Å; M288-L307 HydrophobicContact SD-CD2 3.82Å; M288-I316 HydrophobicContact CE-CB 4.47Å; M288-I316 HydrophobicContact CE-CD1 4.02Å; M288-I316 HydrophobicContact SD-CD1 4.09Å
289S72Confident81Confident111 Ų11177.1 Ų77.178%0.77642%0.422SS*.THydrogen-bonded Turntrans-62.1-21.6167.953.20000112.8D286 Q287D286-S289 PolarHBondContact O-OG 3.34Å; Q287-S289 PolarHBondContact O-N 3.48Å
290D74.8Confident80.8Confident75 Ų7576 Ų7640%0.40141%0.41SS..SBendtrans-100.1112.3172.6-177.4-8.2000111.3Q287 M288 T292 A293Q287-D290 PolarHBondContact O-N 3.43Å; M288-D290 PolarHBondContact O-N 3.42Å; D290-T292 VanDerWaalsContact CG-OG1 3.22Å; D290-T292 PolarHBondContact O-N 3.21Å; D290-T292 VanDerWaalsContact O-N 3.1Å; D290-T292 PolarHBondContact OD1-N 3.43Å; D290-T292 PolarHBondContact OD1-OG1 2.89Å; D290-T292 PolarHBondContact OD2-OG1 3.21Å; D290-A293 HydrophobicContact CB-CB 4.18Å; D290-A293 PolarHBondContact O-N 3.4Å
291P67.5Low80.7Confident98 Ų9878.6 Ų78.664%0.63642%0.423SS*.Hα-helixtrans-57.6-25179.1-24.833.9000114.7
292T74.8Confident80.7Confident99 Ų9984.4 Ų84.461%0.60745%0.45SS*.Hα-helixtrans-77.2-36.7-179.862.70000112.2D290 L294 R295D290-T292 VanDerWaalsContact CG-OG1 3.22Å; D290-T292 PolarHBondContact O-N 3.21Å; D290-T292 VanDerWaalsContact O-N 3.1Å; D290-T292 PolarHBondContact OD1-N 3.43Å; D290-T292 PolarHBondContact OD1-OG1 2.89Å; D290-T292 PolarHBondContact OD2-OG1 3.21Å; T292-L294 VanDerWaalsContact C-N 3.31Å; T292-L294 PolarHBondContact O-N 2.96Å; T292-R295 PolarHBondContact O-N 3.25Å
293A73.2Confident80.7Confident19 Ų1978.9 Ų78.916%0.15743%0.431CS..Hα-helixtrans-63.5-37176.900000111.8Q287 D290 R295 A296 H297Q287-A293 HydrophobicContact CB-CB 4.3Å; D290-A293 HydrophobicContact CB-CB 4.18Å; D290-A293 PolarHBondContact O-N 3.4Å; A293-R295 PolarHBondContact O-N 3.29Å; A293-A296 WeakPolarHBondContact O-CB 3.16Å; A293-A296 PolarHBondContact O-N 2.92Å; A293-H297 PolarHBondContact O-CD2 3.46Å; A293-H297 PolarHBondContact O-N 3.02Å; A293-H297 VanDerWaalsContact O-N 3.12Å
294L70.2Confident80.7Confident20 Ų2074.6 Ų74.611%0.10541%0.411CS..Hα-helixtrans-61.2-42.6-179.8-174.654.7000112.9M288 T292 A296 H297 L298 L307 F318M288-L294 HydrophobicContact CE-CD1 3.75Å; M288-L294 HydrophobicContact CE-CD2 3.98Å; M288-L294 HydrophobicContact CG-CD1 4.08Å; M288-L294 HydrophobicContact SD-CD1 4.13Å; T292-L294 VanDerWaalsContact C-N 3.31Å; T292-L294 PolarHBondContact O-N 2.96Å; L294-A296 VanDerWaalsContact C-N 3.3Å; L294-A296 PolarHBondContact O-N 3.3Å; L294-H297 PolarHBondContact O-N 2.79Å; L294-L298 HydrophobicContact CG-CD1 4.47Å; L294-L298 WeakPolarHBondContact O-CG 3.48Å; L294-L298 PolarHBondContact O-N 3.34Å; L294-L298 VanDerWaalsContact O-N 3.09Å; L294-L307 HydrophobicContact CD1-CD1 4Å; L294-F318 HydrophobicContact CD1-CE1 3.98Å; L294-F318 HydrophobicContact CD2-CD1 3.4Å; L294-F318 VanDerWaalsContact CD2-CD1 3.4Å; L294-F318 HydrophobicContact CD2-CE1 3.51Å; L294-F318 HydrophobicContact CG-CD1 4.22Å; L294-F318 HydrophobicContact CG-CE1 3.83Å
295R73.4Confident80.7Confident201 Ų20176.7 Ų76.776%0.75843%0.427SS*.Hα-helixtrans-63.4-37176.7-71.8-175.3179.5175.80.9112.1T292 A293T292-R295 PolarHBondContact O-N 3.25Å; A293-R295 PolarHBondContact O-N 3.29Å
296A79.8Confident80.9Confident59 Ų5976.7 Ų76.749%0.48843%0.425SS..Hα-helixtrans-65.7-41.4177.700000111.7A293 L294 N299A293-A296 WeakPolarHBondContact O-CB 3.16Å; A293-A296 PolarHBondContact O-N 2.92Å; L294-A296 VanDerWaalsContact C-N 3.3Å; L294-A296 PolarHBondContact O-N 3.3Å; A296-N299 WeakPolarHBondContact O-CB 3.46Å; A296-N299 PolarHBondContact O-N 3.35Å
297H80.3Confident81Confident37 Ų3770.9 Ų70.917%0.17139%0.394CS..Hα-helixtrans-69.5-33.6179.3-72-50.7000113.5I284 Q287 A293 L294 N299 N300 I303I284-H297 HydrophobicContact CG2-CB 4.24Å; Q287-H297 PolarHBondContact OE1-NE2 3.49Å; A293-H297 PolarHBondContact O-CD2 3.46Å; A293-H297 PolarHBondContact O-N 3.02Å; A293-H297 VanDerWaalsContact O-N 3.12Å; L294-H297 PolarHBondContact O-N 2.79Å; H297-N299 PolarHBondContact O-N 2.99Å; H297-N300 PolarHBondContact O-N 2.6Å; H297-N300 VanDerWaalsContact O-N 3.11Å; H297-I303 HydrophobicContact CB-CG2 4.04Å
298L79.7Confident81Confident55 Ų5570.3 Ų70.329%0.28839%0.392SS..Hα-helixtrans-65.6-16.6175.8-71.7173.1000113.8L294 N300 A304 L307 F318L294-L298 HydrophobicContact CG-CD1 4.47Å; L294-L298 WeakPolarHBondContact O-CG 3.48Å; L294-L298 PolarHBondContact O-N 3.34Å; L294-L298 VanDerWaalsContact O-N 3.09Å; L298-N300 PolarHBondContact O-N 2.81Å; L298-A304 HydrophobicContact CD2-CB 4.13Å; L298-L307 HydrophobicContact CD2-CD1 3.96Å; L298-F318 HydrophobicContact CD1-CE1 3.87Å; L298-F318 HydrophobicContact CD1-CZ 3.99Å; L298-F318 HydrophobicContact CD2-CZ 4.12Å
299N83.6Confident81.4Confident137 Ų13771.3 Ų71.373%0.73340%0.396SS*.THydrogen-bonded Turntrans-71.6-19.2173.8-67-31.2000112.8A296 H297 P301A296-N299 WeakPolarHBondContact O-CB 3.46Å; A296-N299 PolarHBondContact O-N 3.35Å; H297-N299 PolarHBondContact O-N 2.99Å; N299-P301 WeakPolarHBondContact O-CD 3.49Å
300N88.4Confident82Confident71 Ų7166.1 Ų66.138%0.3836%0.359SS..SBendtrans-88.2115.8173.1-178.2-32.1000109.3H297 L298 E302 I303 A304H297-N300 PolarHBondContact O-N 2.6Å; H297-N300 VanDerWaalsContact O-N 3.11Å; L298-N300 PolarHBondContact O-N 2.81Å; N300-E302 VanDerWaalsContact C-N 3.26Å; N300-E302 PolarHBondContact O-N 3.46Å; N300-E302 WeakPolarHBondContact OD1-CB 3.46Å; N300-E302 PolarHBondContact OD1-N 3.1Å; N300-I303 HydrophobicContact CB-CB 4.1Å; N300-I303 HydrophobicContact CB-CD1 3.84Å; N300-I303 HydrophobicContact CB-CG1 4.09Å; N300-I303 PolarHBondContact O-N 3.21Å; N300-I303 PolarHBondContact OD1-N 3.37Å; N300-A304 WeakPolarHBondContact O-CB 3.07Å; N300-A304 PolarHBondContact O-N 3.11Å
301P88.8Confident82.3Confident108 Ų10863.1 Ų63.170%0.70134%0.343SS*.Hα-helixtrans-58.7-34.1-176.3-25.134.6000114.3N299 S305N299-P301 WeakPolarHBondContact O-CD 3.49Å; P301-S305 WeakPolarHBondContact O-CB 3.46Å; P301-S305 PolarHBondContact O-N 3.19Å
302E90.3Very high82.6Confident123 Ų12359.6 Ų59.658%0.57532%0.319SS*.Hα-helixtrans-70.1-45.7179.8-166-169.8151.400110.8N300 S305 K306N300-E302 VanDerWaalsContact C-N 3.26Å; N300-E302 PolarHBondContact O-N 3.46Å; N300-E302 WeakPolarHBondContact OD1-CB 3.46Å; N300-E302 PolarHBondContact OD1-N 3.1Å; E302-S305 PolarHBondContact O-N 3.24Å; E302-K306 WeakPolarHBondContact O-CG 3.48Å; E302-K306 PolarHBondContact O-N 3.37Å; E302-K306 WeakPolarHBondContact OE1-CE 3.49Å; E302-K306 IonicContact OE1-NZ 3.49Å; E302-K306 PolarHBondContact OE1-NZ 2.87Å
303I90.5Very high82.8Confident26 Ų2655.1 Ų55.113%0.13329%0.292CS..Hα-helixtrans-65.7-44.3177.2-63.1171.4000110.1M281 I284 H297 N300 S305 K306 L307M281-I303 HydrophobicContact SD-CG2 4.34Å; I284-I303 HydrophobicContact CD1-CD1 3.59Å; I284-I303 HydrophobicContact CD1-CG1 3.94Å; I284-I303 HydrophobicContact CD1-CG2 3.91Å; I284-I303 HydrophobicContact CG2-CG2 4.29Å; H297-I303 HydrophobicContact CB-CG2 4.04Å; N300-I303 HydrophobicContact CB-CB 4.1Å; N300-I303 HydrophobicContact CB-CD1 3.84Å; N300-I303 HydrophobicContact CB-CG1 4.09Å; N300-I303 PolarHBondContact O-N 3.21Å; N300-I303 PolarHBondContact OD1-N 3.37Å; I303-S305 VanDerWaalsContact C-N 3.3Å; I303-S305 PolarHBondContact O-N 2.85Å; I303-K306 PolarHBondContact O-N 3.26Å; I303-K306 VanDerWaalsContact O-N 3.15Å; I303-L307 HydrophobicContact CG2-CD1 3.88Å; I303-L307 HydrophobicContact CG2-CG 4.15Å; I303-L307 WeakPolarHBondContact O-CG 3.32Å; I303-L307 PolarHBondContact O-N 2.94Å
304A87.5Confident82.8Confident20 Ų2055.9 Ų55.917%0.16530%0.302CS..Hα-helixtrans-57.4-43.3176.600000111.7L298 N300 L307 M308L298-A304 HydrophobicContact CD2-CB 4.13Å; N300-A304 WeakPolarHBondContact O-CB 3.07Å; N300-A304 PolarHBondContact O-N 3.11Å; A304-L307 PolarHBondContact O-N 3.34Å; A304-M308 WeakPolarHBondContact O-CB 3.34Å; A304-M308 VanDerWaalsContact O-CG 3.27Å; A304-M308 WeakPolarHBondContact O-CG 3.42Å; A304-M308 PolarHBondContact O-N 3.4Å
305S88.3Confident83.2Confident57 Ų5757 Ų5740%0.39931%0.308SS..Hα-helixtrans-61.6-45.2175.3-174.20000112.2P301 E302 I303 M308 K309P301-S305 WeakPolarHBondContact O-CB 3.46Å; P301-S305 PolarHBondContact O-N 3.19Å; E302-S305 PolarHBondContact O-N 3.24Å; I303-S305 VanDerWaalsContact C-N 3.3Å; I303-S305 PolarHBondContact O-N 2.85Å; S305-M308 PolarHBondContact O-N 3.46Å; S305-K309 WeakPolarHBondContact O-CG 3.48Å; S305-K309 PolarHBondContact O-N 3Å; S305-K309 VanDerWaalsContact O-N 3.08Å
306K90.5Very high83.4Confident38 Ų3849.2 Ų49.217%0.16528%0.281CS..Hα-helixtrans-62.7-46.1177-70178.6-175.9172.70111.7I275 D278 M281 E302 I303 M308 K309 L310I275-K306 HydrophobicContact CD1-CB 4.26Å; I275-K306 HydrophobicContact CD1-CG 4.26Å; I275-K306 HydrophobicContact CG1-CB 4.36Å; I275-K306 HydrophobicContact CG1-CG 4.1Å; I275-K306 HydrophobicContact CG2-CB 3.97Å; I275-K306 HydrophobicContact CG2-CG 4.42Å; D278-K306 IonicContact OD2-NZ 3.46Å; D278-K306 PolarHBondContact OD2-NZ 3.32Å; M281-K306 HydrophobicContact CE-CB 3.88Å; M281-K306 HydrophobicContact CG-CD 3.69Å; M281-K306 HydrophobicContact SD-CB 3.84Å; M281-K306 HydrophobicContact SD-CD 3.6Å; M281-K306 HydrophobicContact SD-CG 4.36Å; E302-K306 WeakPolarHBondContact O-CG 3.48Å; E302-K306 PolarHBondContact O-N 3.37Å; E302-K306 WeakPolarHBondContact OE1-CE 3.49Å; E302-K306 IonicContact OE1-NZ 3.49Å; E302-K306 PolarHBondContact OE1-NZ 2.87Å; I303-K306 PolarHBondContact O-N 3.26Å; I303-K306 VanDerWaalsContact O-N 3.15Å; K306-M308 VanDerWaalsContact C-N 3.35Å; K306-M308 PolarHBondContact O-N 3.02Å; K306-K309 WeakPolarHBondContact O-CB 3.27Å; K306-K309 PolarHBondContact O-N 3.16Å; K306-L310 WeakPolarHBondContact O-CG 3.35Å; K306-L310 PolarHBondContact O-N 3.48Å; K306-L310 VanDerWaalsContact O-N 3.14Å
307L88Confident82.8Confident1 Ų150.3 Ų50.31%0.00529%0.285CS..Hα-helixtrans-60.5-43.8175.9-70.8174.5000111.4M281 L285 M288 L294 L298 I303 A304 K309 L310 I311 I316M281-L307 HydrophobicContact CE-CD2 3.9Å; M281-L307 HydrophobicContact CE-CG 4.23Å; L285-L307 HydrophobicContact CD2-CD2 4Å; M288-L307 HydrophobicContact SD-CD2 3.82Å; L294-L307 HydrophobicContact CD1-CD1 4Å; L298-L307 HydrophobicContact CD2-CD1 3.96Å; I303-L307 HydrophobicContact CG2-CD1 3.88Å; I303-L307 HydrophobicContact CG2-CG 4.15Å; I303-L307 WeakPolarHBondContact O-CG 3.32Å; I303-L307 PolarHBondContact O-N 2.94Å; A304-L307 PolarHBondContact O-N 3.34Å; L307-K309 VanDerWaalsContact C-N 3.31Å; L307-K309 PolarHBondContact O-N 2.9Å; L307-L310 PolarHBondContact O-N 3.33Å; L307-L310 VanDerWaalsContact O-N 3.12Å; L307-I311 VanDerWaalsContact O-CG1 3.29Å; L307-I311 WeakPolarHBondContact O-CG1 3.24Å; L307-I311 PolarHBondContact O-N 2.63Å; L307-I316 HydrophobicContact CB-CD1 4.47Å; L307-I316 HydrophobicContact CD2-CD1 3.82Å
308M82.8Confident82.1Confident82 Ų8253 Ų5340%0.40430%0.296SS..Hα-helixtrans-59.2-40.8176.5-76.5-62.9-179.100112.3R233 A304 S305 K306 L310 I311 D312 F318R233-M308 PolarHBondContact NH1-O 2.85Å; A304-M308 WeakPolarHBondContact O-CB 3.34Å; A304-M308 VanDerWaalsContact O-CG 3.27Å; A304-M308 WeakPolarHBondContact O-CG 3.42Å; A304-M308 PolarHBondContact O-N 3.4Å; S305-M308 PolarHBondContact O-N 3.46Å; K306-M308 VanDerWaalsContact C-N 3.35Å; K306-M308 PolarHBondContact O-N 3.02Å; M308-L310 PolarHBondContact O-N 3.42Å; M308-I311 PolarHBondContact O-N 2.75Å; M308-I311 HydrophobicContact SD-CD1 4.13Å; M308-D312 PolarHBondContact O-N 3.43Å; M308-F318 HydrophobicContact CE-CE2 4.34Å
309K84.9Confident80.8Confident61 Ų6164.9 Ų64.927%0.26534%0.337SS..Hα-helixtrans-62.3-40.6174.8-69.8170.2-174.8173.50112.3E271 I272 I275 S305 K306 L307 I311 D312 A313E271-K309 HydrophobicContact CG-CD 4.32Å; E271-K309 VanDerWaalsContact OE1-CE 3.24Å; E271-K309 WeakPolarHBondContact OE1-CE 3.43Å; E271-K309 IonicContact OE1-NZ 3.29Å; E271-K309 PolarHBondContact OE1-NZ 3.31Å; I272-K309 HydrophobicContact CD1-CB 3.94Å; I272-K309 WeakPolarHBondContact CD1-O 3.31Å; I275-K309 HydrophobicContact CD1-CB 3.96Å; I275-K309 HydrophobicContact CD1-CD 3.74Å; S305-K309 WeakPolarHBondContact O-CG 3.48Å; S305-K309 PolarHBondContact O-N 3Å; S305-K309 VanDerWaalsContact O-N 3.08Å; K306-K309 WeakPolarHBondContact O-CB 3.27Å; K306-K309 PolarHBondContact O-N 3.16Å; L307-K309 VanDerWaalsContact C-N 3.31Å; L307-K309 PolarHBondContact O-N 2.9Å; K309-I311 VanDerWaalsContact C-N 3.34Å; K309-D312 WeakPolarHBondContact O-CB 3.26Å; K309-D312 PolarHBondContact O-N 2.85Å; K309-A313 WeakPolarHBondContact O-CB 3.15Å; K309-A313 PolarHBondContact O-N 3.02Å
310L85.2Confident80.7Confident1 Ų161.3 Ų61.31%0.00532%0.317CS..Hα-helixtrans-66.7-35.9175.7-61.5177.7000112.2I272 I275 L276 M281 L285 K306 L307 M308 A313 G314 L315 I316I272-L310 HydrophobicContact CD1-CD2 4.18Å; I272-L310 HydrophobicContact CG2-CD2 3.91Å; I275-L310 HydrophobicContact CB-CD2 4.37Å; I275-L310 HydrophobicContact CG2-CD1 3.86Å; I275-L310 HydrophobicContact CG2-CD2 3.92Å; I275-L310 HydrophobicContact CG2-CG 3.94Å; L276-L310 HydrophobicContact CD2-CD1 4.33Å; L276-L310 HydrophobicContact CD2-CD2 3.91Å; L276-L310 HydrophobicContact CG-CD2 4Å; M281-L310 HydrophobicContact CE-CD1 4.26Å; L285-L310 HydrophobicContact CD1-CD1 3.98Å; L285-L310 HydrophobicContact CD2-CD1 3.86Å; L285-L310 HydrophobicContact CG-CD1 4.44Å; K306-L310 WeakPolarHBondContact O-CG 3.35Å; K306-L310 PolarHBondContact O-N 3.48Å; K306-L310 VanDerWaalsContact O-N 3.14Å; L307-L310 PolarHBondContact O-N 3.33Å; L307-L310 VanDerWaalsContact O-N 3.12Å; M308-L310 PolarHBondContact O-N 3.42Å; L310-A313 PolarHBondContact O-N 3.44Å; L310-G314 PolarHBondContact O-N 3.12Å; L310-L315 HydrophobicContact CD2-CD1 3.84Å; L310-L315 PolarHBondContact O-N 3.26Å; L310-I316 HydrophobicContact CB-CD1 3.77Å; L310-I316 HydrophobicContact CB-CG1 3.69Å; L310-I316 HydrophobicContact CD1-CD1 4.32Å
311I80.3Confident80.3Confident13 Ų1360.7 Ų60.77%0.06731%0.314CS..Hα-helixtrans-67.5-41.7173.1-60.9164.1000110.3R233 Y253 L307 M308 K309 A313 G314 I316 F318R233-I311 VanDerWaalsContact NH2-CG2 3.27Å; Y253-I311 HydrophobicContact CE1-CG2 4.35Å; Y253-I311 WeakPolarHBondContact CE1-O 3.32Å; Y253-I311 PolarHBondContact OH-O 3.36Å; L307-I311 VanDerWaalsContact O-CG1 3.29Å; L307-I311 WeakPolarHBondContact O-CG1 3.24Å; L307-I311 PolarHBondContact O-N 2.63Å; M308-I311 PolarHBondContact O-N 2.75Å; M308-I311 HydrophobicContact SD-CD1 4.13Å; K309-I311 VanDerWaalsContact C-N 3.34Å; I311-A313 PolarHBondContact O-N 3.38Å; I311-G314 PolarHBondContact O-N 3.06Å; I311-I316 HydrophobicContact CD1-CD1 4.48Å; I311-I316 HydrophobicContact CG1-CD1 3.79Å; I311-I316 HydrophobicContact CG1-CG1 3.6Å; I311-F318 HydrophobicContact CD1-CD2 3.7Å; I311-F318 HydrophobicContact CD1-CE1 4.45Å; I311-F318 HydrophobicContact CD1-CE2 3.1Å; I311-F318 HydrophobicContact CD1-CZ 3.52Å; I311-F318 HydrophobicContact CG1-CE2 4.48Å
312D74.2Confident79.8Confident24 Ų2458.1 Ų58.113%0.12829%0.292CS..Hα-helixtrans-58.7-39174-88.6-28.5000111.8R229 R233 M308 K309 G314R229-D312 VanDerWaalsContact CB-OD1 3.23Å; R229-D312 WeakPolarHBondContact CB-OD1 3.34Å; R229-D312 WeakPolarHBondContact CD-O 3.48Å; R229-D312 PolarHBondContact NH1-O 3.38Å; R233-D312 WeakPolarHBondContact CD-OD1 3.37Å; R233-D312 IonicContact CZ-OD1 3.3Å; R233-D312 IonicContact CZ-OD2 2.73Å; R233-D312 IonicContact NE-OD1 2.75Å; R233-D312 PolarHBondContact NE-OD1 3.1Å; R233-D312 IonicContact NE-OD2 3.54Å; R233-D312 IonicContact NH1-OD1 3.58Å; R233-D312 PolarHBondContact NH1-OD1 3.18Å; R233-D312 IonicContact NH1-OD2 3.14Å; R233-D312 PolarHBondContact NH1-OD2 3.45Å; R233-D312 IonicContact NH2-OD1 2.67Å; R233-D312 PolarHBondContact NH2-OD1 3.3Å; M308-D312 PolarHBondContact O-N 3.43Å; K309-D312 WeakPolarHBondContact O-CB 3.26Å; K309-D312 PolarHBondContact O-N 2.85Å; D312-G314 PolarHBondContact O-N 2.89Å
313A78.3Confident79.2Confident4 Ų454.3 Ų54.33%0.03328%0.276CS..THydrogen-bonded Turntrans-76-3177.400000113.6A266 I272 K309 L310 I311 L315A266-A313 HydrophobicContact CB-CB 3.62Å; I272-A313 HydrophobicContact CD1-CB 3.8Å; I272-A313 HydrophobicContact CG1-CB 4.09Å; K309-A313 WeakPolarHBondContact O-CB 3.15Å; K309-A313 PolarHBondContact O-N 3.02Å; L310-A313 PolarHBondContact O-N 3.44Å; I311-A313 PolarHBondContact O-N 3.38Å; A313-L315 VanDerWaalsContact C-N 3.27Å; A313-L315 HydrophobicContact CB-CD1 4.31Å; A313-L315 HydrophobicContact CB-CG 4.24Å; A313-L315 PolarHBondContact O-N 3.03Å
314G74.5Confident78.5Confident36 Ų3656.1 Ų56.137%0.37129%0.285SS..THydrogen-bonded Turntrans72.915.8-179.900000114.2L310 I311 D312L310-G314 PolarHBondContact O-N 3.12Å; I311-G314 PolarHBondContact O-N 3.06Å; D312-G314 PolarHBondContact O-N 2.89Å
315L77.9Confident77.9Confident44 Ų4458.5 Ų58.523%0.2329%0.293CS..SBendtrans-83.4-28-176-71.3175.9000113.7R263 A266 M267 I272 L276 L310 A313R263-L315 HydrophobicContact CB-CD2 4.02Å; R263-L315 HydrophobicContact CG-CD2 3.75Å; A266-L315 HydrophobicContact CB-CD1 3.62Å; A266-L315 HydrophobicContact CB-CD2 3.74Å; A266-L315 HydrophobicContact CB-CG 3.58Å; M267-L315 HydrophobicContact CE-CD1 4.26Å; M267-L315 HydrophobicContact CE-CD2 3.97Å; I272-L315 HydrophobicContact CG2-CD1 3.5Å; I272-L315 VanDerWaalsContact CG2-CD1 3.5Å; L276-L315 HydrophobicContact CD1-CD1 3.84Å; L310-L315 HydrophobicContact CD2-CD1 3.84Å; L310-L315 PolarHBondContact O-N 3.26Å; A313-L315 VanDerWaalsContact C-N 3.27Å; A313-L315 HydrophobicContact CB-CD1 4.31Å; A313-L315 HydrophobicContact CB-CG 4.24Å; A313-L315 PolarHBondContact O-N 3.03Å
316I77.4Confident77.2Confident37 Ų3758.6 Ų58.619%0.1929%0.285CS..  trans-137.9152.5178.555.8166000109.3L285 M288 L307 L310 I311L285-I316 HydrophobicContact CD2-CD1 4.35Å; L285-I316 HydrophobicContact CD2-CG2 4.23Å; M288-I316 HydrophobicContact CE-CB 4.47Å; M288-I316 HydrophobicContact CE-CD1 4.02Å; M288-I316 HydrophobicContact SD-CD1 4.09Å; L307-I316 HydrophobicContact CB-CD1 4.47Å; L307-I316 HydrophobicContact CD2-CD1 3.82Å; L310-I316 HydrophobicContact CB-CD1 3.77Å; L310-I316 HydrophobicContact CB-CG1 3.69Å; L310-I316 HydrophobicContact CD1-CD1 4.32Å; I311-I316 HydrophobicContact CD1-CD1 4.48Å; I311-I316 HydrophobicContact CG1-CD1 3.79Å; I311-I316 HydrophobicContact CG1-CG1 3.6Å
317S68.3Low76.1Confident81 Ų8160.2 Ų60.257%0.56629%0.294SS*.  trans-130.4149171.862.10000109.9R319S317-R319 PolarHBondContact O-N 3.21Å
318F64.3Low75.1Confident93 Ų9365.1 Ų65.141%0.40832%0.318SS..  trans-73.3112.7163.7-66.6-68000107.1L294 L298 M308 I311L294-F318 HydrophobicContact CD1-CE1 3.98Å; L294-F318 HydrophobicContact CD2-CD1 3.4Å; L294-F318 VanDerWaalsContact CD2-CD1 3.4Å; L294-F318 HydrophobicContact CD2-CE1 3.51Å; L294-F318 HydrophobicContact CG-CD1 4.22Å; L294-F318 HydrophobicContact CG-CE1 3.83Å; L298-F318 HydrophobicContact CD1-CE1 3.87Å; L298-F318 HydrophobicContact CD1-CZ 3.99Å; L298-F318 HydrophobicContact CD2-CZ 4.12Å; M308-F318 HydrophobicContact CE-CE2 4.34Å; I311-F318 HydrophobicContact CD1-CD2 3.7Å; I311-F318 HydrophobicContact CD1-CE1 4.45Å; I311-F318 HydrophobicContact CD1-CE2 3.1Å; I311-F318 HydrophobicContact CD1-CZ 3.52Å; I311-F318 HydrophobicContact CG1-CE2 4.48Å
319R53.8Low74.4Confident305 Ų30563.5 Ų63.5100%1.15131%0.31SS*.  trans-81.50162.3-75.4-171-170.3179.93.9110S317S317-R319 PolarHBondContact O-N 3.21Å

Retrieved 319 of 319 residues in 115 ms (Link to these results)

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