A0A3Q0KRR1_SCHMA Loading...

Pericentrin AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KRR1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 678 aa.

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

 

Download Structure   AlphaSync Parameters   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.8Very low66.8Low210 Ų210103.2 Ų103.2100%1.03450%0.504SS*.  0108.40-76.2-63.3160.100108.2S5M1-S5 PolarHBondContact SD-OG 3.21Å
2P44.8Very low68.4Low89 Ų8998.3 Ų98.358%0.57848%0.477SS*.  trans-56.7156.1171.8-22.634.2000111.4D4 S5P2-D4 PolarHBondContact O-N 3.44Å; P2-S5 PolarHBondContact O-N 3Å; P2-S5 PolarHBondContact O-OG 3.35Å
3Q46.9Very low69.7Low175 Ų17591.1 Ų91.182%0.81844%0.443SS*.Hα-helixtrans-59.3-36.8-179.1-70.4-153.512.400112.1S5 K6 Y7Q3-S5 VanDerWaalsContact C-N 3.32Å; Q3-S5 PolarHBondContact O-N 3.21Å; Q3-K6 WeakPolarHBondContact O-CB 3.26Å; Q3-K6 PolarHBondContact O-N 3.19Å; Q3-Y7 PolarHBondContact O-N 2.93Å; Q3-Y7 VanDerWaalsContact O-N 3.11Å
4D61.2Low70.6Confident117 Ų11789.7 Ų89.763%0.62645%0.447SS*.Hα-helixtrans-63-36.6-179.6-52.6-57.2000112.6P2 K6 Y7 L8P2-D4 PolarHBondContact O-N 3.44Å; D4-K6 VanDerWaalsContact C-N 3.3Å; D4-K6 PolarHBondContact O-N 3.48Å; D4-Y7 PolarHBondContact O-N 3.16Å; D4-L8 WeakPolarHBondContact O-CB 3.5Å; D4-L8 VanDerWaalsContact O-CG 3.28Å; D4-L8 WeakPolarHBondContact O-CG 3.39Å; D4-L8 PolarHBondContact O-N 3.44Å
5S67.9Low71.4Confident23 Ų2387 Ų8716%0.16144%0.437CS..Hα-helixtrans-67.1-34178.684.60000111.7M1 P2 Q3 L9 V115M1-S5 PolarHBondContact SD-OG 3.21Å; P2-S5 PolarHBondContact O-N 3Å; P2-S5 PolarHBondContact O-OG 3.35Å; Q3-S5 VanDerWaalsContact C-N 3.32Å; Q3-S5 PolarHBondContact O-N 3.21Å; S5-L9 WeakPolarHBondContact O-CB 3.31Å; S5-L9 PolarHBondContact O-N 3.46Å; S5-V115 VanDerWaalsContact O-CG2 3.3Å; S5-V115 WeakPolarHBondContact O-CG2 3.44Å
6K73.5Confident72.4Confident156 Ų15681.6 Ų81.668%0.67841%0.41SS*.Hα-helixtrans-67.6-45.7173.3-172.3-176.9177.4-173.40111.2Q3 D4 L9 V10Q3-K6 WeakPolarHBondContact O-CB 3.26Å; Q3-K6 PolarHBondContact O-N 3.19Å; D4-K6 VanDerWaalsContact C-N 3.3Å; D4-K6 PolarHBondContact O-N 3.48Å; K6-L9 PolarHBondContact O-N 3.29Å; K6-V10 WeakPolarHBondContact O-CG2 3.47Å; K6-V10 PolarHBondContact O-N 3.36Å; K6-V10 VanDerWaalsContact O-N 3.08Å
7Y77.4Confident73.3Confident152 Ų15277.3 Ų77.360%0.59639%0.388SS*.Hα-helixtrans-63.6-46.1178.9-178.8-105000112.2Q3 D4 L9 V10 R11Q3-Y7 PolarHBondContact O-N 2.93Å; Q3-Y7 VanDerWaalsContact O-N 3.11Å; D4-Y7 PolarHBondContact O-N 3.16Å; Y7-L9 VanDerWaalsContact C-N 3.34Å; Y7-L9 PolarHBondContact O-N 3.42Å; Y7-V10 PolarHBondContact O-N 3.33Å; Y7-R11 WeakPolarHBondContact O-CB 3.41Å; Y7-R11 PolarHBondContact O-N 3.13Å
8L78.9Confident73.9Confident50 Ų5077.2 Ų77.226%0.26238%0.382SS..Hα-helixtrans-59.9-42.5174.9-72173.3000111.8D4 R11 Y12 V115D4-L8 WeakPolarHBondContact O-CB 3.5Å; D4-L8 VanDerWaalsContact O-CG 3.28Å; D4-L8 WeakPolarHBondContact O-CG 3.39Å; D4-L8 PolarHBondContact O-N 3.44Å; L8-R11 PolarHBondContact O-N 3.22Å; L8-Y12 HydrophobicContact CB-CD2 4.23Å; L8-Y12 HydrophobicContact CB-CE2 3.99Å; L8-Y12 HydrophobicContact CD2-CE2 4.1Å; L8-Y12 WeakPolarHBondContact O-CB 3.06Å; L8-Y12 WeakPolarHBondContact O-CD2 3.48Å; L8-Y12 PolarHBondContact O-N 3.25Å; L8-V115 HydrophobicContact CB-CG1 4.01Å
9L82Confident74.6Confident20 Ų2073.4 Ų73.411%0.10536%0.364CS..Hα-helixtrans-59.5-50.6176.6-165.274.4000111.4S5 K6 Y7 R11 Y12 S13 L40 K44 V115 M118S5-L9 WeakPolarHBondContact O-CB 3.31Å; S5-L9 PolarHBondContact O-N 3.46Å; K6-L9 PolarHBondContact O-N 3.29Å; Y7-L9 VanDerWaalsContact C-N 3.34Å; Y7-L9 PolarHBondContact O-N 3.42Å; L9-R11 VanDerWaalsContact C-N 3.31Å; L9-R11 PolarHBondContact O-N 3.08Å; L9-Y12 PolarHBondContact O-N 3.04Å; L9-S13 VanDerWaalsContact O-CB 3.25Å; L9-S13 WeakPolarHBondContact O-CB 3.28Å; L9-S13 PolarHBondContact O-N 3.43Å; L9-S13 PolarHBondContact O-OG 3.11Å; L9-L40 HydrophobicContact CB-CD1 4.31Å; L9-L40 HydrophobicContact CD2-CD1 3.82Å; L9-L40 HydrophobicContact CG-CD1 3.79Å; L9-K44 HydrophobicContact CD2-CG 4.32Å; L9-V115 HydrophobicContact CB-CG2 4.1Å; L9-V115 HydrophobicContact CD1-CG2 4.04Å; L9-M118 HydrophobicContact CD1-CB 4.15Å; L9-M118 HydrophobicContact CD1-CG 3.78Å
10V81.7Confident75.3Confident66 Ų6669.8 Ų69.840%0.435%0.346SS..Hα-helixtrans-54.5-48.5177175.40000111K6 Y7 S14 L40K6-V10 WeakPolarHBondContact O-CG2 3.47Å; K6-V10 PolarHBondContact O-N 3.36Å; K6-V10 VanDerWaalsContact O-N 3.08Å; Y7-V10 PolarHBondContact O-N 3.33Å; V10-S14 WeakPolarHBondContact O-CB 3.46Å; V10-S14 PolarHBondContact O-N 3.48Å; V10-L40 HydrophobicContact CB-CD1 4.49Å; V10-L40 HydrophobicContact CG2-CD1 4.01Å; V10-L40 HydrophobicContact CG2-CD2 3.76Å
11R78.3Confident75.8Confident77 Ų7770.5 Ų70.529%0.29135%0.347SS..Hα-helixtrans-63.9-50.8-177.5-173.2173.4177.6-172.6-4.5112.1Y7 L8 L9 S14 V15 M152Y7-R11 WeakPolarHBondContact O-CB 3.41Å; Y7-R11 PolarHBondContact O-N 3.13Å; L8-R11 PolarHBondContact O-N 3.22Å; L9-R11 VanDerWaalsContact C-N 3.31Å; L9-R11 PolarHBondContact O-N 3.08Å; R11-S14 PolarHBondContact O-N 2.91Å; R11-V15 WeakPolarHBondContact O-CG2 3.3Å; R11-V15 PolarHBondContact O-N 2.84Å; R11-V15 VanDerWaalsContact O-N 3.09Å; R11-M152 PolarHBondContact NH1-SD 3.49Å; R11-M152 PolarHBondContact NH2-SD 2.94Å; R11-M152 VanDerWaalsContact NH2-SD 3.43Å
12Y85.3Confident77.5Confident45 Ų4562.3 Ų62.318%0.17631%0.307CS..Hα-helixtrans-66-41.3179.2-67.8-51.2000112L8 L9 S14 V15 V16 V115 M118 R119 A122L8-Y12 HydrophobicContact CB-CD2 4.23Å; L8-Y12 HydrophobicContact CB-CE2 3.99Å; L8-Y12 HydrophobicContact CD2-CE2 4.1Å; L8-Y12 WeakPolarHBondContact O-CB 3.06Å; L8-Y12 WeakPolarHBondContact O-CD2 3.48Å; L8-Y12 PolarHBondContact O-N 3.25Å; L9-Y12 PolarHBondContact O-N 3.04Å; Y12-S14 VanDerWaalsContact C-N 3.31Å; Y12-S14 PolarHBondContact O-N 3.31Å; Y12-V15 PolarHBondContact O-N 3.48Å; Y12-V15 VanDerWaalsContact O-N 3.14Å; Y12-V16 WeakPolarHBondContact O-CG2 3.2Å; Y12-V16 PolarHBondContact O-N 3.16Å; Y12-V115 HydrophobicContact CD2-CG1 4.08Å; Y12-V115 HydrophobicContact CE2-CG1 3.94Å; Y12-M118 HydrophobicContact CG-CB 4.49Å; Y12-R119 HydrophobicContact CD2-CB 4.07Å; Y12-R119 HydrophobicContact CE1-CB 4.28Å; Y12-R119 HydrophobicContact CE1-CG 4.13Å; Y12-R119 HydrophobicContact CE2-CB 3.76Å; Y12-R119 HydrophobicContact CE2-CG 4.1Å; Y12-R119 HydrophobicContact CG-CB 4.48Å; Y12-R119 PolarHBondContact OH-NE 3Å; Y12-R119 VanDerWaalsContact OH-NE 3.09Å; Y12-A122 HydrophobicContact CD1-CB 3.67Å; Y12-A122 HydrophobicContact CG-CB 4.3Å
13S85.3Confident79.5Confident4 Ų459 Ų593%0.02828%0.284CS..Hα-helixtrans-58.6-41.1174.2-67.30000112.4L9 L17 M118L9-S13 VanDerWaalsContact O-CB 3.25Å; L9-S13 WeakPolarHBondContact O-CB 3.28Å; L9-S13 PolarHBondContact O-N 3.43Å; L9-S13 PolarHBondContact O-OG 3.11Å; S13-L17 VanDerWaalsContact O-CB 3.29Å; S13-L17 WeakPolarHBondContact O-CB 3.27Å; S13-L17 PolarHBondContact O-N 2.94Å; S13-M118 VanDerWaalsContact CA-SD 3.57Å; S13-M118 WeakPolarHBondContact OG-CE 3.42Å; S13-M118 PolarHBondContact OG-SD 3.45Å
14S83.1Confident81.3Confident72 Ų7257.5 Ų57.550%0.50328%0.282SS..Hα-helixtrans-64.5-39.1174.9-174.30000112.7V10 R11 Y12 R18V10-S14 WeakPolarHBondContact O-CB 3.46Å; V10-S14 PolarHBondContact O-N 3.48Å; R11-S14 PolarHBondContact O-N 2.91Å; Y12-S14 VanDerWaalsContact C-N 3.31Å; Y12-S14 PolarHBondContact O-N 3.31Å; S14-R18 VanDerWaalsContact O-CB 3.28Å; S14-R18 WeakPolarHBondContact O-CB 3.33Å; S14-R18 PolarHBondContact O-N 2.96Å; S14-R18 VanDerWaalsContact O-N 3.08Å
15V82.6Confident82.5Confident49 Ų4952.4 Ų52.430%0.29725%0.254SS..Hα-helixtrans-66.7-50177.3171.10000110.7R11 Y12 L17 R18 N19 A122R11-V15 WeakPolarHBondContact O-CG2 3.3Å; R11-V15 PolarHBondContact O-N 2.84Å; R11-V15 VanDerWaalsContact O-N 3.09Å; Y12-V15 PolarHBondContact O-N 3.48Å; Y12-V15 VanDerWaalsContact O-N 3.14Å; V15-L17 PolarHBondContact O-N 3.29Å; V15-R18 PolarHBondContact O-N 3.2Å; V15-N19 WeakPolarHBondContact CG1-ND2 3.37Å; V15-N19 WeakPolarHBondContact O-CB 3.45Å; V15-N19 PolarHBondContact O-N 2.95Å; V15-N19 PolarHBondContact O-ND2 3.36Å; V15-N19 PolarHBondContact O-OD1 3.26Å; V15-A122 HydrophobicContact CB-CB 4.27Å; V15-A122 HydrophobicContact CG1-CB 4Å
16V87.6Confident83.4Confident0 Ų054.8 Ų54.80%027%0.265CS..Hα-helixtrans-58.4-50.1178.5177.50000110.8Y12 R18 N19 L20 F39 M118 L121 A122Y12-V16 WeakPolarHBondContact O-CG2 3.2Å; Y12-V16 PolarHBondContact O-N 3.16Å; V16-R18 VanDerWaalsContact C-N 3.31Å; V16-R18 PolarHBondContact O-N 2.96Å; V16-N19 PolarHBondContact O-N 3.47Å; V16-L20 HydrophobicContact CG1-CD1 3.75Å; V16-L20 HydrophobicContact CG1-CG 4.09Å; V16-L20 WeakPolarHBondContact O-CB 3.36Å; V16-L20 WeakPolarHBondContact O-CG 3.24Å; V16-L20 PolarHBondContact O-N 3.1Å; V16-F39 HydrophobicContact CB-CE1 3.98Å; V16-F39 HydrophobicContact CB-CZ 4.19Å; V16-F39 HydrophobicContact CG1-CE1 3.94Å; V16-F39 HydrophobicContact CG1-CZ 3.61Å; V16-M118 HydrophobicContact CG2-SD 4.29Å; V16-L121 HydrophobicContact CG1-CB 4.16Å; V16-L121 HydrophobicContact CG1-CD1 4.46Å; V16-L121 HydrophobicContact CG2-CB 3.61Å; V16-A122 HydrophobicContact CG2-CB 3.91Å; V16-A122 VanDerWaalsContact CG2-N 3.29Å
17L87.4Confident84.1Confident9 Ų947.9 Ų47.95%0.04724%0.235CC..Hα-helixtrans-61.6-39.2-179.2-178.561.5000112.2S13 V15 K21 F27 A36 F39S13-L17 VanDerWaalsContact O-CB 3.29Å; S13-L17 WeakPolarHBondContact O-CB 3.27Å; S13-L17 PolarHBondContact O-N 2.94Å; V15-L17 PolarHBondContact O-N 3.29Å; L17-K21 VanDerWaalsContact O-CG 3.29Å; L17-K21 WeakPolarHBondContact O-CG 3.19Å; L17-K21 PolarHBondContact O-N 2.81Å; L17-F27 HydrophobicContact CD1-CE1 3.57Å; L17-F27 HydrophobicContact CD1-CZ 3.91Å; L17-A36 HydrophobicContact CD2-CB 4.14Å; L17-F39 HydrophobicContact CB-CD1 3.93Å; L17-F39 HydrophobicContact CB-CE1 4.2Å; L17-F39 HydrophobicContact CB-CG 4.26Å; L17-F39 HydrophobicContact CD1-CB 4.44Å; L17-F39 HydrophobicContact CD1-CD2 4.18Å; L17-F39 HydrophobicContact CD1-CG 4.18Å; L17-F39 HydrophobicContact CD2-CB 4.09Å; L17-F39 HydrophobicContact CD2-CG 4.41Å
18R84.4Confident84.3Confident75 Ų7547.6 Ų47.628%0.28324%0.239SC..Hα-helixtrans-62.3-51.1174.1-179-170.4-179.9-172.43.3110.9S14 V15 V16 K21 I22S14-R18 VanDerWaalsContact O-CB 3.28Å; S14-R18 WeakPolarHBondContact O-CB 3.33Å; S14-R18 PolarHBondContact O-N 2.96Å; S14-R18 VanDerWaalsContact O-N 3.08Å; V15-R18 PolarHBondContact O-N 3.2Å; V16-R18 VanDerWaalsContact C-N 3.31Å; V16-R18 PolarHBondContact O-N 2.96Å; R18-K21 PolarHBondContact O-N 2.79Å; R18-I22 HydrophobicContact CG-CD1 3.8Å; R18-I22 WeakPolarHBondContact O-CD1 3.48Å; R18-I22 WeakPolarHBondContact O-CG1 3.39Å; R18-I22 PolarHBondContact O-N 2.87Å; R18-I22 VanDerWaalsContact O-N 3.12Å
19N86.3Confident84.4Confident6 Ų649.6 Ų49.63%0.03225%0.254CS..Hα-helixtrans-64.6-43.8-175.8-65.1-7.6000111.3V15 V16 K21 I22 L23 S125 S126 L129V15-N19 WeakPolarHBondContact CG1-ND2 3.37Å; V15-N19 WeakPolarHBondContact O-CB 3.45Å; V15-N19 PolarHBondContact O-N 2.95Å; V15-N19 PolarHBondContact O-ND2 3.36Å; V15-N19 PolarHBondContact O-OD1 3.26Å; V16-N19 PolarHBondContact O-N 3.47Å; N19-K21 VanDerWaalsContact C-N 3.31Å; N19-K21 PolarHBondContact O-N 2.82Å; N19-I22 PolarHBondContact O-N 2.96Å; N19-I22 VanDerWaalsContact O-N 3.17Å; N19-L23 WeakPolarHBondContact O-CB 3.41Å; N19-L23 VanDerWaalsContact O-CG 3.29Å; N19-L23 WeakPolarHBondContact O-CG 3.44Å; N19-L23 PolarHBondContact O-N 3.02Å; N19-S125 PolarHBondContact ND2-OG 2.96Å; N19-S126 WeakPolarHBondContact ND2-CA 3.47Å; N19-S126 PolarHBondContact ND2-N 3.42Å; N19-S126 PolarHBondContact ND2-OG 2.72Å; N19-L129 HydrophobicContact CB-CD2 4.49Å
20L88.3Confident84.1Confident0 Ų051.2 Ų51.20%026%0.261CS..Hα-helixtrans-60.7-37.6175.7-70.2-178.8000112.4V16 N24 Y25 F27 F39 I54 F57 L58V16-L20 HydrophobicContact CG1-CD1 3.75Å; V16-L20 HydrophobicContact CG1-CG 4.09Å; V16-L20 WeakPolarHBondContact O-CB 3.36Å; V16-L20 WeakPolarHBondContact O-CG 3.24Å; V16-L20 PolarHBondContact O-N 3.1Å; L20-N24 PolarHBondContact O-N 2.66Å; L20-Y25 HydrophobicContact CB-CG 4.26Å; L20-Y25 HydrophobicContact CD1-CD1 4.46Å; L20-Y25 HydrophobicContact CD1-CG 4.47Å; L20-Y25 HydrophobicContact CD2-CD2 4.14Å; L20-Y25 HydrophobicContact CD2-CG 4.17Å; L20-Y25 WeakPolarHBondContact O-CB 3.41Å; L20-Y25 PolarHBondContact O-N 2.87Å; L20-F27 HydrophobicContact CB-CE1 4.45Å; L20-F27 HydrophobicContact CB-CZ 3.81Å; L20-F39 HydrophobicContact CD1-CZ 4.48Å; L20-I54 HydrophobicContact CD1-CD1 4.22Å; L20-I54 HydrophobicContact CD1-CG1 4.47Å; L20-I54 HydrophobicContact CD1-CG2 4.47Å; L20-I54 HydrophobicContact CD2-CG2 4.23Å; L20-F57 HydrophobicContact CD2-CD1 3.92Å; L20-F57 HydrophobicContact CD2-CE1 3.67Å; L20-L58 HydrophobicContact CD2-CD2 4.18Å
21K85.5Confident84.1Confident85 Ų8555.7 Ų55.737%0.3728%0.277SS..Hα-helixtrans-63.9-42.2173.5-75.8174.6-179-173.50112.7L17 R18 N19 N24 F27 Q34L17-K21 VanDerWaalsContact O-CG 3.29Å; L17-K21 WeakPolarHBondContact O-CG 3.19Å; L17-K21 PolarHBondContact O-N 2.81Å; R18-K21 PolarHBondContact O-N 2.79Å; N19-K21 VanDerWaalsContact C-N 3.31Å; N19-K21 PolarHBondContact O-N 2.82Å; K21-N24 PolarHBondContact O-N 3.42Å; K21-F27 HydrophobicContact CG-CE2 3.76Å; K21-F27 HydrophobicContact CG-CZ 3.76Å; K21-Q34 VanDerWaalsContact CE-O 3.23Å; K21-Q34 WeakPolarHBondContact CE-O 3.37Å; K21-Q34 PolarHBondContact NZ-O 2.87Å
22I80.5Confident84.5Confident39 Ų3952.2 Ų52.220%0.226%0.264CS..Hα-helixtrans-69.9-38.3-179.9-60.3154.3000111R18 N19 N24 L129 L168R18-I22 HydrophobicContact CG-CD1 3.8Å; R18-I22 WeakPolarHBondContact O-CD1 3.48Å; R18-I22 WeakPolarHBondContact O-CG1 3.39Å; R18-I22 PolarHBondContact O-N 2.87Å; R18-I22 VanDerWaalsContact O-N 3.12Å; N19-I22 PolarHBondContact O-N 2.96Å; N19-I22 VanDerWaalsContact O-N 3.17Å; I22-N24 PolarHBondContact O-N 3.29Å; I22-L129 HydrophobicContact CB-CD1 3.99Å; I22-L129 HydrophobicContact CD1-CD2 3.97Å; I22-L129 HydrophobicContact CG2-CD1 3.46Å; I22-L129 VanDerWaalsContact CG2-CD1 3.46Å; I22-L168 HydrophobicContact CD1-CD1 3.54Å; I22-L168 HydrophobicContact CG1-CD1 4.42Å; I22-L168 HydrophobicContact CG2-CD2 3.87Å
23L85Confident84.5Confident19 Ų1951.6 Ų51.610%0.09927%0.265CS..THydrogen-bonded Turntrans-74.94.9177.3-64.8173.3000113.6N19 F57 L58 T61 V128 L129 S132N19-L23 WeakPolarHBondContact O-CB 3.41Å; N19-L23 VanDerWaalsContact O-CG 3.29Å; N19-L23 WeakPolarHBondContact O-CG 3.44Å; N19-L23 PolarHBondContact O-N 3.02Å; L23-F57 HydrophobicContact CB-CE1 3.9Å; L23-F57 HydrophobicContact CB-CZ 3.64Å; L23-F57 HydrophobicContact CD1-CE1 4.26Å; L23-F57 VanDerWaalsContact O-CZ 3.31Å; L23-F57 WeakPolarHBondContact O-CZ 2.93Å; L23-L58 HydrophobicContact CD1-CD2 3.8Å; L23-T61 HydrophobicContact CD2-CG2 4.07Å; L23-V128 HydrophobicContact CD1-CB 4.37Å; L23-V128 HydrophobicContact CD1-CG1 3.94Å; L23-V128 HydrophobicContact CD2-CG1 4.32Å; L23-L129 HydrophobicContact CD2-CB 4.31Å; L23-L129 HydrophobicContact CD2-CD1 3.78Å; L23-L129 HydrophobicContact CG-CD1 4.1Å; L23-S132 WeakPolarHBondContact CD2-OG 3.35Å
24N84.9Confident84.5Confident143 Ų14355.7 Ų55.777%0.76528%0.284SS*.THydrogen-bonded Turntrans57.145.5-176.6-60.3-49000114.1L20 K21 I22L20-N24 PolarHBondContact O-N 2.66Å; K21-N24 PolarHBondContact O-N 3.42Å; I22-N24 PolarHBondContact O-N 3.29Å
25Y87.6Confident84.4Confident10 Ų1058.1 Ų58.14%0.03929%0.288CS..  trans-64.9134.5171.5-176.7-99000111.9L20 F27 V32 H53 I54 F57L20-Y25 HydrophobicContact CB-CG 4.26Å; L20-Y25 HydrophobicContact CD1-CD1 4.46Å; L20-Y25 HydrophobicContact CD1-CG 4.47Å; L20-Y25 HydrophobicContact CD2-CD2 4.14Å; L20-Y25 HydrophobicContact CD2-CG 4.17Å; L20-Y25 WeakPolarHBondContact O-CB 3.41Å; L20-Y25 PolarHBondContact O-N 2.87Å; Y25-F27 AromaticContact CD1-CD1 3.93Å; Y25-F27 HydrophobicContact CD1-CD1 3.93Å; Y25-F27 HydrophobicContact CD1-CD2 4.06Å; Y25-F27 AromaticContact CD1-CE1 3.98Å; Y25-F27 HydrophobicContact CD1-CE1 3.98Å; Y25-F27 HydrophobicContact CD1-CE2 4.09Å; Y25-F27 AromaticContact CD1-CG 3.97Å; Y25-F27 HydrophobicContact CD1-CG 3.97Å; Y25-F27 HydrophobicContact CD1-CZ 4.05Å; Y25-F27 HydrophobicContact CE1-CD1 4.32Å; Y25-F27 WeakPolarHBondContact O-CD2 3.31Å; Y25-F27 WeakPolarHBondContact O-CE2 3.39Å; Y25-F27 PolarHBondContact O-N 3.03Å; Y25-V32 HydrophobicContact CE1-CB 3.99Å; Y25-V32 HydrophobicContact CE1-CG1 4.26Å; Y25-V32 HydrophobicContact CE1-CG2 4.01Å; Y25-H53 AromaticContact CE2-CE1 3.75Å; Y25-H53 AromaticContact CE2-ND1 3.63Å; Y25-H53 AromaticContact CZ-ND1 3.66Å; Y25-H53 PolarHBondContact OH-ND1 3.13Å; Y25-I54 HydrophobicContact CE2-CG1 4.01Å; Y25-F57 HydrophobicContact CD2-CB 4.07Å; Y25-F57 AromaticContact CD2-CD1 3.55Å; Y25-F57 HydrophobicContact CD2-CD1 3.55Å; Y25-F57 AromaticContact CD2-CD2 3.82Å; Y25-F57 HydrophobicContact CD2-CD2 3.82Å; Y25-F57 AromaticContact CD2-CE1 3.83Å; Y25-F57 HydrophobicContact CD2-CE1 3.83Å; Y25-F57 HydrophobicContact CD2-CE2 4.07Å; Y25-F57 AromaticContact CD2-CG 3.54Å; Y25-F57 HydrophobicContact CD2-CG 3.54Å; Y25-F57 HydrophobicContact CD2-CZ 4.06Å; Y25-F57 HydrophobicContact CE2-CB 4.05Å; Y25-F57 HydrophobicContact CE2-CD1 4.26Å; Y25-F57 HydrophobicContact CE2-CG 4.04Å; Y25-F57 HydrophobicContact CG-CD1 4.5Å; Y25-F57 HydrophobicContact CG-CE1 4.37Å; Y25-F57 HydrophobicContact CG-CZ 4.42Å
26D86.6Confident84.3Confident74 Ų7458.4 Ų58.440%0.39630%0.295SS..  trans-81.799.2173.3-177-3.1000111.2E28 T29 H30D26-E28 PolarHBondContact OD1-N 2.72Å; D26-E28 VanDerWaalsContact OD1-N 3.09Å; D26-T29 PolarHBondContact OD1-N 3.39Å; D26-T29 VanDerWaalsContact OD1-N 3.14Å; D26-T29 PolarHBondContact OD1-OG1 3.33Å; D26-T29 WeakPolarHBondContact OD2-CB 3.5Å; D26-T29 PolarHBondContact OD2-OG1 3.04Å; D26-H30 PolarHBondContact O-ND1 2.94Å; D26-H30 VanDerWaalsContact O-ND1 3.08Å
27F87.3Confident83.8Confident11 Ų1164.9 Ų64.95%0.04833%0.33CS..THydrogen-bonded Turntrans-71.2-37178.2-69.9-86.1000113.1L17 L20 K21 Y25 H31 V32 Q34L17-F27 HydrophobicContact CD1-CE1 3.57Å; L17-F27 HydrophobicContact CD1-CZ 3.91Å; L20-F27 HydrophobicContact CB-CE1 4.45Å; L20-F27 HydrophobicContact CB-CZ 3.81Å; K21-F27 HydrophobicContact CG-CE2 3.76Å; K21-F27 HydrophobicContact CG-CZ 3.76Å; Y25-F27 AromaticContact CD1-CD1 3.93Å; Y25-F27 HydrophobicContact CD1-CD1 3.93Å; Y25-F27 HydrophobicContact CD1-CD2 4.06Å; Y25-F27 AromaticContact CD1-CE1 3.98Å; Y25-F27 HydrophobicContact CD1-CE1 3.98Å; Y25-F27 HydrophobicContact CD1-CE2 4.09Å; Y25-F27 AromaticContact CD1-CG 3.97Å; Y25-F27 HydrophobicContact CD1-CG 3.97Å; Y25-F27 HydrophobicContact CD1-CZ 4.05Å; Y25-F27 HydrophobicContact CE1-CD1 4.32Å; Y25-F27 WeakPolarHBondContact O-CD2 3.31Å; Y25-F27 WeakPolarHBondContact O-CE2 3.39Å; Y25-F27 PolarHBondContact O-N 3.03Å; F27-H31 PolarHBondContact O-N 3.48Å; F27-V32 WeakPolarHBondContact CB-O 3.38Å; F27-V32 HydrophobicContact CD1-CB 4.28Å; F27-V32 HydrophobicContact CD1-CG1 4.05Å; F27-V32 WeakPolarHBondContact CD1-O 3.3Å; F27-V32 HydrophobicContact CE1-CG1 4.39Å; F27-V32 PolarHBondContact O-N 3.22Å; F27-Q34 HydrophobicContact CB-CB 4.38Å; F27-Q34 HydrophobicContact CD1-CB 4.25Å; F27-Q34 HydrophobicContact CD1-CG 4.37Å; F27-Q34 HydrophobicContact CD2-CG 4.1Å; F27-Q34 HydrophobicContact CE2-CG 4.41Å; F27-Q34 HydrophobicContact CG-CB 4.18Å; F27-Q34 HydrophobicContact CG-CG 4.1Å
28E82.8Confident83.6Confident145 Ų14567 Ų6768%0.67835%0.346SS*.THydrogen-bonded Turntrans-74.7-52.6-168.8-61.9-58141.400111.1D26 H30 H31D26-E28 PolarHBondContact OD1-N 2.72Å; D26-E28 VanDerWaalsContact OD1-N 3.09Å; E28-H30 PolarHBondContact O-N 2.86Å; E28-H31 PolarHBondContact O-N 2.93Å; E28-H31 VanDerWaalsContact O-N 3.08Å
29T79.4Confident83.6Confident93 Ų9363.5 Ų63.557%0.57133%0.332SS*.THydrogen-bonded Turntrans-57.7-27.5-178.2-60.10000112.8D26D26-T29 PolarHBondContact OD1-N 3.39Å; D26-T29 VanDerWaalsContact OD1-N 3.14Å; D26-T29 PolarHBondContact OD1-OG1 3.33Å; D26-T29 WeakPolarHBondContact OD2-CB 3.5Å; D26-T29 PolarHBondContact OD2-OG1 3.04Å
30H76.7Confident83.4Confident54 Ų5464.7 Ų64.725%0.2534%0.338CS..THydrogen-bonded Turntrans-106.67-175.4-56.595000113.8D26 E28 V32 H53D26-H30 PolarHBondContact O-ND1 2.94Å; D26-H30 VanDerWaalsContact O-ND1 3.08Å; E28-H30 PolarHBondContact O-N 2.86Å; H30-V32 HydrophobicContact CB-CG2 4.02Å; H30-V32 PolarHBondContact O-N 3.2Å; H30-V32 VanDerWaalsContact O-N 3.16Å; H30-H53 AromaticContact CD2-CD2 3.77Å; H30-H53 AromaticContact CD2-CE1 3.56Å; H30-H53 AromaticContact CD2-CG 3.62Å; H30-H53 AromaticContact CD2-ND1 3.48Å; H30-H53 PolarHBondContact CD2-ND1 3.39Å; H30-H53 AromaticContact CD2-NE2 3.77Å; H30-H53 AromaticContact CE1-CE1 3.2Å; H30-H53 PolarHBondContact CE1-CE1 3.43Å; H30-H53 AromaticContact CE1-ND1 3.87Å; H30-H53 AromaticContact CE1-NE2 3.49Å; H30-H53 PolarHBondContact CE1-NE2 2.92Å; H30-H53 AromaticContact CG-CE1 3.54Å; H30-H53 AromaticContact CG-CG 4Å; H30-H53 AromaticContact CG-ND1 3.4Å; H30-H53 AromaticContact ND1-CE1 3.32Å; H30-H53 PolarHBondContact ND1-CE1 2.96Å; H30-H53 VanDerWaalsContact ND1-CE1 3.32Å; H30-H53 AromaticContact ND1-ND1 3.66Å; H30-H53 AromaticContact NE2-CD2 3.66Å; H30-H53 AromaticContact NE2-CE1 3.36Å; H30-H53 PolarHBondContact NE2-CE1 3.25Å; H30-H53 AromaticContact NE2-CG 3.97Å; H30-H53 AromaticContact NE2-ND1 3.79Å; H30-H53 AromaticContact NE2-NE2 3.29Å; H30-H53 PolarHBondContact NE2-NE2 2.9Å
31H81.6Confident83.2Confident159 Ų15967.5 Ų67.574%0.73636%0.358SS*.THydrogen-bonded Turntrans53.831-179.1-52.880.5000113.6F27 E28 F42F27-H31 PolarHBondContact O-N 3.48Å; E28-H31 PolarHBondContact O-N 2.93Å; E28-H31 VanDerWaalsContact O-N 3.08Å; H31-F42 WeakPolarHBondContact O-CE2 3.22Å
32V86.9Confident83.1Confident5 Ų564.2 Ų64.23%0.0334%0.344CS..  trans-91.2124.7179.81790000108.8Y25 F27 H30 Q34 F39 F42 E50Y25-V32 HydrophobicContact CE1-CB 3.99Å; Y25-V32 HydrophobicContact CE1-CG1 4.26Å; Y25-V32 HydrophobicContact CE1-CG2 4.01Å; F27-V32 WeakPolarHBondContact CB-O 3.38Å; F27-V32 HydrophobicContact CD1-CB 4.28Å; F27-V32 HydrophobicContact CD1-CG1 4.05Å; F27-V32 WeakPolarHBondContact CD1-O 3.3Å; F27-V32 HydrophobicContact CE1-CG1 4.39Å; F27-V32 PolarHBondContact O-N 3.22Å; H30-V32 HydrophobicContact CB-CG2 4.02Å; H30-V32 PolarHBondContact O-N 3.2Å; H30-V32 VanDerWaalsContact O-N 3.16Å; V32-Q34 PolarHBondContact O-N 3.39Å; V32-F39 HydrophobicContact CG1-CD2 3.97Å; V32-F39 HydrophobicContact CG1-CE2 3.72Å; V32-F42 HydrophobicContact CG1-CE1 4.34Å; V32-F42 HydrophobicContact CG2-CE1 4.17Å; V32-F42 HydrophobicContact CG2-CZ 4.31Å; V32-E50 HydrophobicContact CG2-CB 4.48Å
33P85.2Confident83.3Confident31 Ų3162.4 Ų62.420%0.20133%0.334CS..  trans-65.7128.8-174.6-23.433.2000113.6Q35 S38 F39 F42P33-Q35 VanDerWaalsContact C-N 3.34Å; P33-S38 VanDerWaalsContact CB-CB 3.44Å; P33-F39 WeakPolarHBondContact O-CD2 3.37Å; P33-F42 VanDerWaalsContact CD-CE2 3.49Å; P33-F42 HydrophobicContact CG-CB 4.14Å; P33-F42 HydrophobicContact CG-CD2 3.56Å; P33-F42 HydrophobicContact CG-CE2 4.1Å; P33-F42 HydrophobicContact CG-CG 3.97Å
34Q84.4Confident83.1Confident90 Ų9067.7 Ų67.742%0.42136%0.357SS..  trans-79.5-16175.7-158.2-168.145.800113.2K21 F27 V32K21-Q34 VanDerWaalsContact CE-O 3.23Å; K21-Q34 WeakPolarHBondContact CE-O 3.37Å; K21-Q34 PolarHBondContact NZ-O 2.87Å; F27-Q34 HydrophobicContact CB-CB 4.38Å; F27-Q34 HydrophobicContact CD1-CB 4.25Å; F27-Q34 HydrophobicContact CD1-CG 4.37Å; F27-Q34 HydrophobicContact CD2-CG 4.1Å; F27-Q34 HydrophobicContact CE2-CG 4.41Å; F27-Q34 HydrophobicContact CG-CB 4.18Å; F27-Q34 HydrophobicContact CG-CG 4.1Å; V32-Q34 PolarHBondContact O-N 3.39Å
35Q81.7Confident83Confident124 Ų12465.4 Ų65.458%0.57935%0.348SS*.SBendtrans-91.5142.6-178.6-60.9-58.7-17.700112.1P33 D37 S38 F39P33-Q35 VanDerWaalsContact C-N 3.34Å; Q35-D37 PolarHBondContact O-N 2.76Å; Q35-S38 PolarHBondContact O-N 2.87Å; Q35-F39 VanDerWaalsContact O-CB 3.3Å; Q35-F39 WeakPolarHBondContact O-CB 3.28Å; Q35-F39 PolarHBondContact O-N 3.38Å
36A79.6Confident82.7Confident55 Ų5567.7 Ų67.746%0.45537%0.365SS..Hα-helixtrans-61.2-48.5-170.700000113.6L17 F39 L40L17-A36 HydrophobicContact CD2-CB 4.14Å; A36-F39 PolarHBondContact O-N 2.81Å; A36-L40 VanDerWaalsContact O-CB 3.31Å; A36-L40 WeakPolarHBondContact O-CB 3.43Å; A36-L40 PolarHBondContact O-N 3.49Å
37D78.4Confident82.5Confident136 Ų13668.3 Ų68.373%0.72736%0.362SS*.Hα-helixtrans-65.8-41.4-179.2-59.1-50.1000111.9Q35 L40 S41Q35-D37 PolarHBondContact O-N 2.76Å; D37-L40 PolarHBondContact O-N 2.91Å; D37-S41 PolarHBondContact O-N 2.87Å; D37-S41 VanDerWaalsContact O-N 3.1Å
38S82.7Confident82.4Confident54 Ų5471.5 Ų71.538%0.37838%0.376SS..Hα-helixtrans-63.8-46.2175.6-53.90000111.2P33 Q35 L40 S41 F42P33-S38 VanDerWaalsContact CB-CB 3.44Å; Q35-S38 PolarHBondContact O-N 2.87Å; S38-L40 PolarHBondContact O-N 3.37Å; S38-S41 PolarHBondContact O-N 3.17Å; S38-S41 VanDerWaalsContact O-N 3.11Å; S38-S41 PolarHBondContact O-OG 2.81Å; S38-F42 PolarHBondContact O-N 3.42Å
39F85Confident82.5Confident0 Ų068.1 Ų68.10%037%0.373CS..Hα-helixtrans-64.7-39.6178.7-170.5-96.2000112.5V16 L17 L20 V32 P33 Q35 A36 S41 F42 F43 M118V16-F39 HydrophobicContact CB-CE1 3.98Å; V16-F39 HydrophobicContact CB-CZ 4.19Å; V16-F39 HydrophobicContact CG1-CE1 3.94Å; V16-F39 HydrophobicContact CG1-CZ 3.61Å; L17-F39 HydrophobicContact CB-CD1 3.93Å; L17-F39 HydrophobicContact CB-CE1 4.2Å; L17-F39 HydrophobicContact CB-CG 4.26Å; L17-F39 HydrophobicContact CD1-CB 4.44Å; L17-F39 HydrophobicContact CD1-CD2 4.18Å; L17-F39 HydrophobicContact CD1-CG 4.18Å; L17-F39 HydrophobicContact CD2-CB 4.09Å; L17-F39 HydrophobicContact CD2-CG 4.41Å; L20-F39 HydrophobicContact CD1-CZ 4.48Å; V32-F39 HydrophobicContact CG1-CD2 3.97Å; V32-F39 HydrophobicContact CG1-CE2 3.72Å; P33-F39 WeakPolarHBondContact O-CD2 3.37Å; Q35-F39 VanDerWaalsContact O-CB 3.3Å; Q35-F39 WeakPolarHBondContact O-CB 3.28Å; Q35-F39 PolarHBondContact O-N 3.38Å; A36-F39 PolarHBondContact O-N 2.81Å; F39-S41 PolarHBondContact O-N 2.89Å; F39-F42 WeakPolarHBondContact O-CB 3.26Å; F39-F42 PolarHBondContact O-N 3.25Å; F39-F42 VanDerWaalsContact O-N 3.12Å; F39-F43 HydrophobicContact CE2-CE2 4.19Å; F39-F43 HydrophobicContact CZ-CD2 4.37Å; F39-F43 HydrophobicContact CZ-CE2 4.18Å; F39-M118 HydrophobicContact CD1-CE 4.18Å; F39-M118 HydrophobicContact CE1-CE 3.6Å; F39-M118 HydrophobicContact CE1-SD 4.07Å; F39-M118 HydrophobicContact CZ-CE 4.1Å
40L81.5Confident82.9Confident31 Ų3165.3 Ų65.316%0.16235%0.353CS..Hα-helixtrans-59.6-34.7171.8174.563.1000112.5L9 V10 A36 D37 S38 K44L9-L40 HydrophobicContact CB-CD1 4.31Å; L9-L40 HydrophobicContact CD2-CD1 3.82Å; L9-L40 HydrophobicContact CG-CD1 3.79Å; V10-L40 HydrophobicContact CB-CD1 4.49Å; V10-L40 HydrophobicContact CG2-CD1 4.01Å; V10-L40 HydrophobicContact CG2-CD2 3.76Å; A36-L40 VanDerWaalsContact O-CB 3.31Å; A36-L40 WeakPolarHBondContact O-CB 3.43Å; A36-L40 PolarHBondContact O-N 3.49Å; D37-L40 PolarHBondContact O-N 2.91Å; S38-L40 PolarHBondContact O-N 3.37Å; L40-K44 WeakPolarHBondContact O-CE 3.38Å
41S83.8Confident83.5Confident59 Ų5962.7 Ų62.741%0.41334%0.341SS..Hα-helixtrans-78.3-28.1174.979.50000113.4D37 S38 F39 F43 K44D37-S41 PolarHBondContact O-N 2.87Å; D37-S41 VanDerWaalsContact O-N 3.1Å; S38-S41 PolarHBondContact O-N 3.17Å; S38-S41 VanDerWaalsContact O-N 3.11Å; S38-S41 PolarHBondContact O-OG 2.81Å; F39-S41 PolarHBondContact O-N 2.89Å; S41-F43 PolarHBondContact O-N 3.33Å; S41-K44 WeakPolarHBondContact O-CB 3.49Å; S41-K44 PolarHBondContact O-N 3.44Å; S41-K44 VanDerWaalsContact O-N 3.13Å
42F84.2Confident83.8Confident16 Ų1656.4 Ų56.47%0.0731%0.312CS..Hα-helixtrans-60.7-51-166.9-169-112.9000113.4H31 V32 P33 S38 F39 K44 R47 E50H31-F42 WeakPolarHBondContact O-CE2 3.22Å; V32-F42 HydrophobicContact CG1-CE1 4.34Å; V32-F42 HydrophobicContact CG2-CE1 4.17Å; V32-F42 HydrophobicContact CG2-CZ 4.31Å; P33-F42 VanDerWaalsContact CD-CE2 3.49Å; P33-F42 HydrophobicContact CG-CB 4.14Å; P33-F42 HydrophobicContact CG-CD2 3.56Å; P33-F42 HydrophobicContact CG-CE2 4.1Å; P33-F42 HydrophobicContact CG-CG 3.97Å; S38-F42 PolarHBondContact O-N 3.42Å; F39-F42 WeakPolarHBondContact O-CB 3.26Å; F39-F42 PolarHBondContact O-N 3.25Å; F39-F42 VanDerWaalsContact O-N 3.12Å; F42-K44 VanDerWaalsContact C-N 3.33Å; F42-K44 PolarHBondContact O-N 2.63Å; F42-R47 VanDerWaalsContact CE1-CD 3.47Å; F42-R47 VanDerWaalsContact CZ-CD 3.45Å; F42-R47 VanDerWaalsContact O-CD 3.31Å; F42-R47 WeakPolarHBondContact O-CD 3.3Å; F42-R47 PolarHBondContact O-NE 2.87Å; F42-E50 HydrophobicContact CE1-CB 4.04Å; F42-E50 HydrophobicContact CE1-CG 4.2Å; F42-E50 HydrophobicContact CZ-CB 4.32Å; F42-E50 HydrophobicContact CZ-CG 3.97Å
43F83.1Confident83.9Confident1 Ų158.7 Ų58.70%0.00432%0.323CS..THydrogen-bonded Turntrans-90.318.5177.7-72.7-78000113.8F39 S41 R47 F51 I54 A113 G114 V117 M118F39-F43 HydrophobicContact CE2-CE2 4.19Å; F39-F43 HydrophobicContact CZ-CD2 4.37Å; F39-F43 HydrophobicContact CZ-CE2 4.18Å; S41-F43 PolarHBondContact O-N 3.33Å; F43-R47 HydrophobicContact CD1-CB 4.12Å; F43-R47 HydrophobicContact CE1-CB 3.95Å; F43-F51 HydrophobicContact CE1-CB 4.13Å; F43-I54 HydrophobicContact CE2-CD1 3.98Å; F43-I54 HydrophobicContact CZ-CD1 3.76Å; F43-A113 CarbonylContact O-C 3.54Å; F43-A113 WeakPolarHBondContact O-CA 3.43Å; F43-G114 PolarHBondContact O-N 3.33Å; F43-V117 HydrophobicContact CD1-CG1 4.3Å; F43-M118 HydrophobicContact CB-CE 3.58Å; F43-M118 HydrophobicContact CD2-CE 3.34Å; F43-M118 HydrophobicContact CE2-CE 4.33Å; F43-M118 HydrophobicContact CG-CE 3.79Å
44K81.7Confident84.1Confident130 Ų13057.2 Ų57.257%0.56531%0.313SS*.THydrogen-bonded Turntrans-71-24161.7-65.9179.4-176.2170.70111.4L9 L40 S41 F42L9-K44 HydrophobicContact CD2-CG 4.32Å; L40-K44 WeakPolarHBondContact O-CE 3.38Å; S41-K44 WeakPolarHBondContact O-CB 3.49Å; S41-K44 PolarHBondContact O-N 3.44Å; S41-K44 VanDerWaalsContact O-N 3.13Å; F42-K44 VanDerWaalsContact C-N 3.33Å; F42-K44 PolarHBondContact O-N 2.63Å
45V82Confident84.4Confident95 Ų9553 Ų5358%0.57629%0.293SS*.SBendtrans-103.8147.3173.3-177.50000108.6R47V45-R47 PolarHBondContact O-N 3.09Å
46S82Confident84.8Confident58 Ų5847.5 Ų47.541%0.40627%0.268SS..  trans-65.1114177.2-175.60000110.8P112S46-P112 WeakPolarHBondContact CA-O 3.29Å; S46-P112 VanDerWaalsContact OG-CD 3.3Å; S46-P112 WeakPolarHBondContact OG-CD 3.49Å
47R83Confident85.4Confident87 Ų8746.4 Ų46.433%0.32825%0.253SS..  trans-124.374.3-175.3-79.3-171.6179.7-83.7-0.9111.1F42 F43 V45 E50 F51 P112F42-R47 VanDerWaalsContact CE1-CD 3.47Å; F42-R47 VanDerWaalsContact CZ-CD 3.45Å; F42-R47 VanDerWaalsContact O-CD 3.31Å; F42-R47 WeakPolarHBondContact O-CD 3.3Å; F42-R47 PolarHBondContact O-NE 2.87Å; F43-R47 HydrophobicContact CD1-CB 4.12Å; F43-R47 HydrophobicContact CE1-CB 3.95Å; V45-R47 PolarHBondContact O-N 3.09Å; R47-E50 HydrophobicContact CB-CB 4.42Å; R47-E50 WeakPolarHBondContact CB-OE2 3.34Å; R47-E50 VanDerWaalsContact CD-OE1 3.3Å; R47-E50 WeakPolarHBondContact CD-OE1 3.34Å; R47-E50 WeakPolarHBondContact CG-OE1 3.48Å; R47-E50 IonicContact CZ-OE1 2.76Å; R47-E50 IonicContact NE-OE1 2.88Å; R47-E50 IonicContact NH1-OE1 2.76Å; R47-E50 PolarHBondContact NH1-OE1 2.84Å; R47-F51 VanDerWaalsContact O-CB 3.24Å; R47-F51 WeakPolarHBondContact O-CB 3.46Å; R47-F51 PolarHBondContact O-N 3.18Å; R47-P112 PolarHBondContact N-O 3.22Å
48K84.5Confident86Confident78 Ų7840 Ų4034%0.33922%0.218SC..Hα-helixtrans-70.7-37-168.1-173.1175.4168.9-163.40113.6I52 D80 P112K48-I52 HydrophobicContact CG-CD1 3.85Å; K48-I52 HydrophobicContact CG-CG1 4.43Å; K48-I52 WeakPolarHBondContact O-CB 3.35Å; K48-I52 WeakPolarHBondContact O-CG1 3.28Å; K48-I52 PolarHBondContact O-N 3.46Å; K48-D80 WeakPolarHBondContact CE-OD2 3.06Å; K48-D80 IonicContact NZ-OD2 2.61Å; K48-D80 PolarHBondContact NZ-OD2 3.24Å; K48-P112 HydrophobicContact CB-CG 3.74Å; K48-P112 HydrophobicContact CG-CG 4.16Å
49A85.3Confident86.4Confident74 Ų7437.4 Ų37.461%0.61220%0.2SC*.Hα-helixtrans-65.7-44.9178.300000110.9I52 H53A49-I52 PolarHBondContact O-N 3.26Å; A49-H53 WeakPolarHBondContact O-CB 3.32Å; A49-H53 PolarHBondContact O-N 3.35Å
50E87.2Confident86.6Confident34 Ų3444.9 Ų44.916%0.15923%0.228CC..Hα-helixtrans-71.4-37.2-179.3-51.397.1123.500111.6V32 F42 R47 H53 I54V32-E50 HydrophobicContact CG2-CB 4.48Å; F42-E50 HydrophobicContact CE1-CB 4.04Å; F42-E50 HydrophobicContact CE1-CG 4.2Å; F42-E50 HydrophobicContact CZ-CB 4.32Å; F42-E50 HydrophobicContact CZ-CG 3.97Å; R47-E50 HydrophobicContact CB-CB 4.42Å; R47-E50 WeakPolarHBondContact CB-OE2 3.34Å; R47-E50 VanDerWaalsContact CD-OE1 3.3Å; R47-E50 WeakPolarHBondContact CD-OE1 3.34Å; R47-E50 WeakPolarHBondContact CG-OE1 3.48Å; R47-E50 IonicContact CZ-OE1 2.76Å; R47-E50 IonicContact NE-OE1 2.88Å; R47-E50 IonicContact NH1-OE1 2.76Å; R47-E50 PolarHBondContact NH1-OE1 2.84Å; E50-H53 PolarHBondContact O-N 2.68Å; E50-I54 WeakPolarHBondContact O-CG1 3.47Å; E50-I54 PolarHBondContact O-N 3.4Å
51F89Confident86.9Confident0 Ų045.6 Ų45.60%023%0.234CC..Hα-helixtrans-60.4-47.9170.3174.4-114.7000112.1F43 R47 H53 I54 L55 T108 W109 P112 V117 L120 L121F43-F51 HydrophobicContact CE1-CB 4.13Å; R47-F51 VanDerWaalsContact O-CB 3.24Å; R47-F51 WeakPolarHBondContact O-CB 3.46Å; R47-F51 PolarHBondContact O-N 3.18Å; F51-H53 VanDerWaalsContact C-N 3.33Å; F51-H53 PolarHBondContact O-N 2.87Å; F51-I54 PolarHBondContact O-N 3.43Å; F51-L55 HydrophobicContact CD1-CD1 4.19Å; F51-L55 HydrophobicContact CE1-CD1 3.65Å; F51-L55 HydrophobicContact CE2-CD1 4.17Å; F51-L55 HydrophobicContact CE2-CD2 4.44Å; F51-L55 HydrophobicContact CE2-CG 4.26Å; F51-L55 HydrophobicContact CZ-CD1 3.64Å; F51-L55 HydrophobicContact CZ-CD2 4.48Å; F51-L55 HydrophobicContact CZ-CG 4.22Å; F51-L55 WeakPolarHBondContact O-CG 3.22Å; F51-L55 PolarHBondContact O-N 2.9Å; F51-T108 HydrophobicContact CE2-CG2 4.21Å; F51-T108 HydrophobicContact CZ-CG2 3.91Å; F51-W109 AromaticContact CE1-CE3 3.94Å; F51-W109 HydrophobicContact CE1-CE3 3.94Å; F51-W109 HydrophobicContact CE1-CZ3 4.37Å; F51-P112 HydrophobicContact CB-CB 3.86Å; F51-P112 HydrophobicContact CB-CG 4.41Å; F51-P112 HydrophobicContact CD1-CB 3.77Å; F51-P112 HydrophobicContact CD1-CG 4.33Å; F51-P112 HydrophobicContact CD2-CB 4.4Å; F51-P112 HydrophobicContact CE1-CB 4.41Å; F51-P112 HydrophobicContact CG-CB 3.75Å; F51-V117 HydrophobicContact CD2-CG1 3.76Å; F51-V117 HydrophobicContact CE2-CG1 3.91Å; F51-L120 HydrophobicContact CE2-CD2 4.07Å; F51-L120 HydrophobicContact CZ-CD2 3.8Å; F51-L121 HydrophobicContact CD2-CD1 4.29Å; F51-L121 HydrophobicContact CD2-CD2 4.16Å; F51-L121 HydrophobicContact CD2-CG 4.36Å; F51-L121 HydrophobicContact CE2-CD2 3.94Å; F51-L121 HydrophobicContact CE2-CG 4.21Å
52I88.7Confident87Confident26 Ų2643.8 Ų43.813%0.13322%0.22CC..Hα-helixtrans-61.9-41.8176.8-72.3171.6000110.6K48 A49 L55 H56 F83 W109K48-I52 HydrophobicContact CG-CD1 3.85Å; K48-I52 HydrophobicContact CG-CG1 4.43Å; K48-I52 WeakPolarHBondContact O-CB 3.35Å; K48-I52 WeakPolarHBondContact O-CG1 3.28Å; K48-I52 PolarHBondContact O-N 3.46Å; A49-I52 PolarHBondContact O-N 3.26Å; I52-L55 WeakPolarHBondContact O-CB 3.49Å; I52-L55 PolarHBondContact O-N 3.29Å; I52-H56 PolarHBondContact O-CD2 2.67Å; I52-H56 PolarHBondContact O-N 3.2Å; I52-F83 HydrophobicContact CG2-CE1 4.33Å; I52-W109 HydrophobicContact CD1-CH2 3.5Å; I52-W109 HydrophobicContact CD1-CZ2 3.87Å; I52-W109 HydrophobicContact CD1-CZ3 4.32Å; I52-W109 HydrophobicContact CG1-CH2 3.49Å; I52-W109 VanDerWaalsContact CG1-CH2 3.49Å; I52-W109 HydrophobicContact CG1-CZ2 4.3Å; I52-W109 HydrophobicContact CG1-CZ3 3.84Å
53H87.9Confident87.1Confident54 Ų5446.2 Ų46.225%0.2523%0.234CC..Hα-helixtrans-63-44.8176.8-175.3-98000112.7Y25 H30 A49 E50 F51 L55 H56 F57Y25-H53 AromaticContact CE2-CE1 3.75Å; Y25-H53 AromaticContact CE2-ND1 3.63Å; Y25-H53 AromaticContact CZ-ND1 3.66Å; Y25-H53 PolarHBondContact OH-ND1 3.13Å; H30-H53 AromaticContact CD2-CD2 3.77Å; H30-H53 AromaticContact CD2-CE1 3.56Å; H30-H53 AromaticContact CD2-CG 3.62Å; H30-H53 AromaticContact CD2-ND1 3.48Å; H30-H53 PolarHBondContact CD2-ND1 3.39Å; H30-H53 AromaticContact CD2-NE2 3.77Å; H30-H53 AromaticContact CE1-CE1 3.2Å; H30-H53 PolarHBondContact CE1-CE1 3.43Å; H30-H53 AromaticContact CE1-ND1 3.87Å; H30-H53 AromaticContact CE1-NE2 3.49Å; H30-H53 PolarHBondContact CE1-NE2 2.92Å; H30-H53 AromaticContact CG-CE1 3.54Å; H30-H53 AromaticContact CG-CG 4Å; H30-H53 AromaticContact CG-ND1 3.4Å; H30-H53 AromaticContact ND1-CE1 3.32Å; H30-H53 PolarHBondContact ND1-CE1 2.96Å; H30-H53 VanDerWaalsContact ND1-CE1 3.32Å; H30-H53 AromaticContact ND1-ND1 3.66Å; H30-H53 AromaticContact NE2-CD2 3.66Å; H30-H53 AromaticContact NE2-CE1 3.36Å; H30-H53 PolarHBondContact NE2-CE1 3.25Å; H30-H53 AromaticContact NE2-CG 3.97Å; H30-H53 AromaticContact NE2-ND1 3.79Å; H30-H53 AromaticContact NE2-NE2 3.29Å; H30-H53 PolarHBondContact NE2-NE2 2.9Å; A49-H53 WeakPolarHBondContact O-CB 3.32Å; A49-H53 PolarHBondContact O-N 3.35Å; E50-H53 PolarHBondContact O-N 2.68Å; F51-H53 VanDerWaalsContact C-N 3.33Å; F51-H53 PolarHBondContact O-N 2.87Å; H53-L55 VanDerWaalsContact C-N 3.27Å; H53-L55 PolarHBondContact O-N 3.48Å; H53-H56 PolarHBondContact O-N 3.27Å; H53-F57 PolarHBondContact O-N 3.24Å
54I90.8Very high87.2Confident0 Ų049.5 Ų49.50%026%0.255CS..Hα-helixtrans-60.1-38.5174.6-68.4169.5000110.9L20 Y25 F43 E50 F51 F57 L58 L121L20-I54 HydrophobicContact CD1-CD1 4.22Å; L20-I54 HydrophobicContact CD1-CG1 4.47Å; L20-I54 HydrophobicContact CD1-CG2 4.47Å; L20-I54 HydrophobicContact CD2-CG2 4.23Å; Y25-I54 HydrophobicContact CE2-CG1 4.01Å; F43-I54 HydrophobicContact CE2-CD1 3.98Å; F43-I54 HydrophobicContact CZ-CD1 3.76Å; E50-I54 WeakPolarHBondContact O-CG1 3.47Å; E50-I54 PolarHBondContact O-N 3.4Å; F51-I54 PolarHBondContact O-N 3.43Å; I54-F57 PolarHBondContact O-N 2.89Å; I54-L58 HydrophobicContact CG2-CD1 3.87Å; I54-L58 HydrophobicContact CG2-CG 4.23Å; I54-L58 WeakPolarHBondContact O-CB 3.4Å; I54-L58 VanDerWaalsContact O-CG 3.27Å; I54-L58 WeakPolarHBondContact O-CG 3.44Å; I54-L58 PolarHBondContact O-N 3.33Å; I54-L121 HydrophobicContact CD1-CD1 4.4Å; I54-L121 HydrophobicContact CG2-CD1 4.32Å; I54-L121 HydrophobicContact CG2-CD2 3.74Å
55L90.6Very high87.3Confident0 Ų048.3 Ų48.30%026%0.259CS..Hα-helixtrans-63.7-48.3173.2-69176.8000112F51 I52 H53 F57 L58 F59 F83 T87 F105 W109 L121 L124F51-L55 HydrophobicContact CD1-CD1 4.19Å; F51-L55 HydrophobicContact CE1-CD1 3.65Å; F51-L55 HydrophobicContact CE2-CD1 4.17Å; F51-L55 HydrophobicContact CE2-CD2 4.44Å; F51-L55 HydrophobicContact CE2-CG 4.26Å; F51-L55 HydrophobicContact CZ-CD1 3.64Å; F51-L55 HydrophobicContact CZ-CD2 4.48Å; F51-L55 HydrophobicContact CZ-CG 4.22Å; F51-L55 WeakPolarHBondContact O-CG 3.22Å; F51-L55 PolarHBondContact O-N 2.9Å; I52-L55 WeakPolarHBondContact O-CB 3.49Å; I52-L55 PolarHBondContact O-N 3.29Å; H53-L55 VanDerWaalsContact C-N 3.27Å; H53-L55 PolarHBondContact O-N 3.48Å; L55-F57 VanDerWaalsContact C-N 3.29Å; L55-F57 PolarHBondContact O-N 2.9Å; L55-L58 PolarHBondContact O-N 3.44Å; L55-F59 HydrophobicContact CB-CD2 4.32Å; L55-F59 HydrophobicContact CB-CE2 4.31Å; L55-F59 HydrophobicContact CD2-CE2 4.2Å; L55-F59 WeakPolarHBondContact O-CB 3.41Å; L55-F59 WeakPolarHBondContact O-CD2 2.88Å; L55-F59 PolarHBondContact O-N 3.28Å; L55-F83 HydrophobicContact CB-CE1 4.12Å; L55-F83 HydrophobicContact CB-CZ 3.99Å; L55-F83 HydrophobicContact CD1-CE1 4.11Å; L55-T87 HydrophobicContact CD1-CG2 4.46Å; L55-F105 HydrophobicContact CD1-CE2 4.41Å; L55-W109 HydrophobicContact CD1-CE3 4.47Å; L55-W109 HydrophobicContact CD1-CZ3 4.08Å; L55-L121 HydrophobicContact CD2-CD2 4.28Å; L55-L124 HydrophobicContact CD2-CD2 3.64Å
56H90.4Very high87.5Confident10 Ų1045.8 Ų45.85%0.04624%0.24CC..Hα-helixtrans-54.7-45.9175.6-87.8-86.8000111.6I52 H53 R60 Y67 F83I52-H56 PolarHBondContact O-CD2 2.67Å; I52-H56 PolarHBondContact O-N 3.2Å; H53-H56 PolarHBondContact O-N 3.27Å; H56-R60 WeakPolarHBondContact O-CB 3.39Å; H56-R60 PolarHBondContact O-N 2.9Å; H56-Y67 HydrophobicContact CB-CE2 4.19Å; H56-Y67 AromaticContact ND1-CE2 3.43Å; H56-Y67 WeakPolarHBondContact ND1-CE2 3.28Å; H56-Y67 AromaticContact ND1-CZ 3.57Å; H56-Y67 PolarHBondContact ND1-OH 3.44Å; H56-Y67 WeakPolarHBondContact O-CE2 3.28Å; H56-F83 AromaticContact CD2-CE2 3.52Å; H56-F83 AromaticContact CD2-CZ 3.66Å; H56-F83 AromaticContact CE1-CD2 3.66Å; H56-F83 AromaticContact CE1-CE2 3.33Å; H56-F83 WeakPolarHBondContact CE1-CE2 3.48Å; H56-F83 AromaticContact CG-CE2 3.8Å; H56-F83 AromaticContact ND1-CE2 3.68Å; H56-F83 AromaticContact NE2-CD2 3.5Å; H56-F83 WeakPolarHBondContact NE2-CD2 3.36Å; H56-F83 AromaticContact NE2-CE2 3.22Å; H56-F83 WeakPolarHBondContact NE2-CE2 3.36Å; H56-F83 AromaticContact NE2-CZ 3.81Å
57F91.6Very high87.8Confident31 Ų3143.8 Ų43.814%0.13622%0.223CC..Hα-helixtrans-59-55.7174.9168-98.5000111.9L20 L23 Y25 H53 I54 L55 F59 R60 T61L20-F57 HydrophobicContact CD2-CD1 3.92Å; L20-F57 HydrophobicContact CD2-CE1 3.67Å; L23-F57 HydrophobicContact CB-CE1 3.9Å; L23-F57 HydrophobicContact CB-CZ 3.64Å; L23-F57 HydrophobicContact CD1-CE1 4.26Å; L23-F57 VanDerWaalsContact O-CZ 3.31Å; L23-F57 WeakPolarHBondContact O-CZ 2.93Å; Y25-F57 HydrophobicContact CD2-CB 4.07Å; Y25-F57 AromaticContact CD2-CD1 3.55Å; Y25-F57 HydrophobicContact CD2-CD1 3.55Å; Y25-F57 AromaticContact CD2-CD2 3.82Å; Y25-F57 HydrophobicContact CD2-CD2 3.82Å; Y25-F57 AromaticContact CD2-CE1 3.83Å; Y25-F57 HydrophobicContact CD2-CE1 3.83Å; Y25-F57 HydrophobicContact CD2-CE2 4.07Å; Y25-F57 AromaticContact CD2-CG 3.54Å; Y25-F57 HydrophobicContact CD2-CG 3.54Å; Y25-F57 HydrophobicContact CD2-CZ 4.06Å; Y25-F57 HydrophobicContact CE2-CB 4.05Å; Y25-F57 HydrophobicContact CE2-CD1 4.26Å; Y25-F57 HydrophobicContact CE2-CG 4.04Å; Y25-F57 HydrophobicContact CG-CD1 4.5Å; Y25-F57 HydrophobicContact CG-CE1 4.37Å; Y25-F57 HydrophobicContact CG-CZ 4.42Å; H53-F57 PolarHBondContact O-N 3.24Å; I54-F57 PolarHBondContact O-N 2.89Å; L55-F57 VanDerWaalsContact C-N 3.29Å; L55-F57 PolarHBondContact O-N 2.9Å; F57-F59 VanDerWaalsContact C-N 3.3Å; F57-F59 PolarHBondContact O-N 3.05Å; F57-R60 PolarHBondContact O-N 2.92Å; F57-R60 VanDerWaalsContact O-N 3.15Å; F57-T61 WeakPolarHBondContact O-CB 3.28Å; F57-T61 PolarHBondContact O-N 2.94Å; F57-T61 PolarHBondContact O-OG1 3.37Å; F57-T61 VanDerWaalsContact O-OG1 3.05Å
58L91.9Very high87.9Confident1 Ų144.1 Ų44.11%0.00523%0.232CC..Hα-helixtrans-59.1-40.5-176.9-73177.3000112.1L20 L23 I54 L55 L62 L121 L124 V128L20-L58 HydrophobicContact CD2-CD2 4.18Å; L23-L58 HydrophobicContact CD1-CD2 3.8Å; I54-L58 HydrophobicContact CG2-CD1 3.87Å; I54-L58 HydrophobicContact CG2-CG 4.23Å; I54-L58 WeakPolarHBondContact O-CB 3.4Å; I54-L58 VanDerWaalsContact O-CG 3.27Å; I54-L58 WeakPolarHBondContact O-CG 3.44Å; I54-L58 PolarHBondContact O-N 3.33Å; L55-L58 PolarHBondContact O-N 3.44Å; L58-L62 VanDerWaalsContact O-CB 3.31Å; L58-L62 WeakPolarHBondContact O-CB 3.41Å; L58-L62 PolarHBondContact O-N 3.14Å; L58-L121 HydrophobicContact CD1-CD2 4.3Å; L58-L124 HydrophobicContact CB-CD2 4.27Å; L58-L124 HydrophobicContact CB-CG 4.45Å; L58-L124 HydrophobicContact CD1-CB 4.39Å; L58-L124 HydrophobicContact CD1-CD2 3.89Å; L58-L124 HydrophobicContact CD1-CG 4Å; L58-V128 HydrophobicContact CB-CG2 4.21Å; L58-V128 HydrophobicContact CD2-CB 4.28Å; L58-V128 HydrophobicContact CD2-CG1 4.35Å; L58-V128 HydrophobicContact CD2-CG2 4.32Å
59F90.9Very high87.8Confident0 Ų046 Ų460%025%0.25CC..Hα-helixtrans-72.2-37.3176.4-75.6-59.9000113.6L55 F57 T61 L62 N63 Y67 L71 T87 W90 L91 L94 L124L55-F59 HydrophobicContact CB-CD2 4.32Å; L55-F59 HydrophobicContact CB-CE2 4.31Å; L55-F59 HydrophobicContact CD2-CE2 4.2Å; L55-F59 WeakPolarHBondContact O-CB 3.41Å; L55-F59 WeakPolarHBondContact O-CD2 2.88Å; L55-F59 PolarHBondContact O-N 3.28Å; F57-F59 VanDerWaalsContact C-N 3.3Å; F57-F59 PolarHBondContact O-N 3.05Å; F59-T61 VanDerWaalsContact C-N 3.34Å; F59-L62 HydrophobicContact CD1-CD2 4.45Å; F59-L62 PolarHBondContact O-N 3.42Å; F59-N63 PolarHBondContact O-N 2.94Å; F59-N63 VanDerWaalsContact O-N 3.07Å; F59-Y67 HydrophobicContact CB-CD2 4.09Å; F59-L71 HydrophobicContact CB-CD1 3.81Å; F59-L71 HydrophobicContact CD2-CD1 3.82Å; F59-L71 HydrophobicContact CG-CD1 3.83Å; F59-T87 HydrophobicContact CE2-CG2 3.62Å; F59-T87 HydrophobicContact CZ-CG2 3.92Å; F59-W90 HydrophobicContact CB-CE3 4.21Å; F59-W90 HydrophobicContact CB-CH2 3.98Å; F59-W90 HydrophobicContact CB-CZ3 3.62Å; F59-W90 AromaticContact CD1-CD2 3.65Å; F59-W90 HydrophobicContact CD1-CD2 3.65Å; F59-W90 AromaticContact CD1-CE2 3.98Å; F59-W90 AromaticContact CD1-CE3 3.46Å; F59-W90 HydrophobicContact CD1-CE3 3.46Å; F59-W90 VanDerWaalsContact CD1-CE3 3.46Å; F59-W90 HydrophobicContact CD1-CG 4.32Å; F59-W90 AromaticContact CD1-CH2 3.95Å; F59-W90 HydrophobicContact CD1-CH2 3.95Å; F59-W90 HydrophobicContact CD1-CZ2 4.11Å; F59-W90 AromaticContact CD1-CZ3 3.64Å; F59-W90 HydrophobicContact CD1-CZ3 3.64Å; F59-W90 HydrophobicContact CE1-CB 4.3Å; F59-W90 AromaticContact CE1-CD2 3.89Å; F59-W90 HydrophobicContact CE1-CD2 3.89Å; F59-W90 HydrophobicContact CE1-CE3 4.02Å; F59-W90 HydrophobicContact CE1-CG 4.06Å; F59-W90 AromaticContact CG-CE3 3.93Å; F59-W90 HydrophobicContact CG-CE3 3.93Å; F59-W90 HydrophobicContact CG-CH2 4.38Å; F59-W90 AromaticContact CG-CZ3 3.86Å; F59-W90 HydrophobicContact CG-CZ3 3.86Å; F59-W90 WeakPolarHBondContact O-CH2 3.43Å; F59-L91 HydrophobicContact CE1-CD2 4.29Å; F59-L91 HydrophobicContact CZ-CD2 3.74Å; F59-L91 HydrophobicContact CZ-CG 4.04Å; F59-L94 HydrophobicContact CE1-CD1 4.1Å; F59-L124 HydrophobicContact CE1-CD1 4.49Å; F59-L124 HydrophobicContact CE2-CD2 4.35Å; F59-L124 HydrophobicContact CZ-CD2 4.2Å
60R88.8Confident87.6Confident157 Ų15745.4 Ų45.459%0.59223%0.234SC*.Hα-helixtrans-63.9-40.8174.6-177.4179.4178.3-173.9-0.8111.6H56 F57 P64 Y67H56-R60 WeakPolarHBondContact O-CB 3.39Å; H56-R60 PolarHBondContact O-N 2.9Å; F57-R60 PolarHBondContact O-N 2.92Å; F57-R60 VanDerWaalsContact O-N 3.15Å; R60-P64 WeakPolarHBondContact O-CA 3.14Å; R60-P64 WeakPolarHBondContact O-CD 3.31Å; R60-Y67 HydrophobicContact CB-CD1 3.91Å; R60-Y67 HydrophobicContact CB-CD2 3.92Å; R60-Y67 HydrophobicContact CB-CE1 4.12Å; R60-Y67 HydrophobicContact CB-CE2 4.12Å; R60-Y67 HydrophobicContact CB-CG 3.83Å; R60-Y67 HydrophobicContact CG-CD1 3.92Å; R60-Y67 HydrophobicContact CG-CE1 4.13Å; R60-Y67 HydrophobicContact CG-CG 4.29Å
61T87.1Confident87.4Confident46 Ų4643.8 Ų43.828%0.28223%0.227SC..Hα-helixtrans-70.2-34.1176.1-560000111.9L23 F57 F59 V128L23-T61 HydrophobicContact CD2-CG2 4.07Å; F57-T61 WeakPolarHBondContact O-CB 3.28Å; F57-T61 PolarHBondContact O-N 2.94Å; F57-T61 PolarHBondContact O-OG1 3.37Å; F57-T61 VanDerWaalsContact O-OG1 3.05Å; F59-T61 VanDerWaalsContact C-N 3.34Å; T61-V128 HydrophobicContact CG2-CG1 3.93Å
62L86.9Confident86.9Confident22 Ų2245.8 Ų45.812%0.11524%0.241CC..Hα-helixtrans-68.4-47177.6-17762.8000113.4L58 F59 W90 L94 Y127 V128 V131L58-L62 VanDerWaalsContact O-CB 3.31Å; L58-L62 WeakPolarHBondContact O-CB 3.41Å; L58-L62 PolarHBondContact O-N 3.14Å; F59-L62 HydrophobicContact CD1-CD2 4.45Å; F59-L62 PolarHBondContact O-N 3.42Å; L62-W90 HydrophobicContact CD2-CZ2 4.02Å; L62-W90 HydrophobicContact CG-CZ2 4.41Å; L62-L94 HydrophobicContact CD2-CD1 3.63Å; L62-L94 HydrophobicContact CD2-CD2 4.08Å; L62-Y127 HydrophobicContact CD1-CD1 4.16Å; L62-Y127 HydrophobicContact CD1-CE1 3.65Å; L62-Y127 HydrophobicContact CD2-CD1 4.5Å; L62-Y127 HydrophobicContact CD2-CE1 3.98Å; L62-Y127 HydrophobicContact CG-CE1 4.49Å; L62-V128 HydrophobicContact CB-CG1 4.44Å; L62-V128 HydrophobicContact CB-CG2 4.05Å; L62-V128 HydrophobicContact CD1-CG2 4.3Å; L62-V131 HydrophobicContact CD1-CB 3.71Å; L62-V131 HydrophobicContact CD1-CG1 3.61Å; L62-V131 HydrophobicContact CD1-CG2 4.07Å
63N84.9Confident86.2Confident67 Ų6747.9 Ų47.936%0.35827%0.269SS..  trans-155.698.4176.7-170-49.1000110F59 V65 K66 Y67 W90F59-N63 PolarHBondContact O-N 2.94Å; F59-N63 VanDerWaalsContact O-N 3.07Å; N63-V65 VanDerWaalsContact C-N 3.3Å; N63-V65 PolarHBondContact O-N 3.25Å; N63-V65 PolarHBondContact OD1-N 2.64Å; N63-K66 HydrophobicContact CB-CB 4.1Å; N63-K66 PolarHBondContact O-N 3.47Å; N63-K66 WeakPolarHBondContact OD1-CB 3.49Å; N63-K66 PolarHBondContact OD1-N 3.23Å; N63-Y67 WeakPolarHBondContact O-CB 3.44Å; N63-Y67 PolarHBondContact O-N 2.72Å; N63-W90 HydrophobicContact CB-CH2 4.13Å; N63-W90 HydrophobicContact CB-CZ2 3.88Å
64P86.9Confident85.6Confident69 Ų6948.2 Ų48.245%0.44827%0.27SS..Hα-helixtrans-66.4-31.5-175.124.6-33.6000112.6R60 N68R60-P64 WeakPolarHBondContact O-CA 3.14Å; R60-P64 WeakPolarHBondContact O-CD 3.31Å; P64-N68 VanDerWaalsContact O-CB 3.29Å; P64-N68 WeakPolarHBondContact O-CB 3.37Å; P64-N68 PolarHBondContact O-N 3.37Å; P64-N68 PolarHBondContact O-ND2 3.35Å
65V83.9Confident84.4Confident106 Ų10654.3 Ų54.364%0.64230%0.301SS*.Hα-helixtrans-67.4-52.6178.8-178.50000110.4N63 Y67 N68 T69N63-V65 VanDerWaalsContact C-N 3.3Å; N63-V65 PolarHBondContact O-N 3.25Å; N63-V65 PolarHBondContact OD1-N 2.64Å; V65-Y67 PolarHBondContact O-N 3.45Å; V65-N68 PolarHBondContact O-N 2.97Å; V65-T69 PolarHBondContact O-N 2.91Å; V65-T69 VanDerWaalsContact O-N 3.08Å; V65-T69 PolarHBondContact O-OG1 3.47Å
66K84.6Confident82.9Confident42 Ų4256.2 Ų56.218%0.18332%0.321CS..Hα-helixtrans-65.3-39.1178.5-170.6178.8179.8-169.10111.8N63 N68 T69 E70 W90N63-K66 HydrophobicContact CB-CB 4.1Å; N63-K66 PolarHBondContact O-N 3.47Å; N63-K66 WeakPolarHBondContact OD1-CB 3.49Å; N63-K66 PolarHBondContact OD1-N 3.23Å; K66-N68 VanDerWaalsContact C-N 3.34Å; K66-N68 PolarHBondContact O-N 3.37Å; K66-T69 PolarHBondContact O-N 2.75Å; K66-E70 VanDerWaalsContact CE-CD 3.48Å; K66-E70 WeakPolarHBondContact CE-OE1 3.39Å; K66-E70 HydrophobicContact CG-CG 4.4Å; K66-E70 WeakPolarHBondContact O-CB 3.43Å; K66-E70 PolarHBondContact O-N 3.02Å; K66-W90 HydrophobicContact CB-CH2 4.21Å; K66-W90 HydrophobicContact CB-CZ2 4.33Å; K66-W90 HydrophobicContact CD-CD2 4.21Å; K66-W90 HydrophobicContact CD-CH2 4.36Å; K66-W90 HydrophobicContact CD-CZ2 3.89Å; K66-W90 HydrophobicContact CG-CH2 4.34Å; K66-W90 HydrophobicContact CG-CZ2 4.35Å; K66-W90 VanDerWaalsContact NZ-CD1 3.3Å
67Y87.9Confident81.4Confident16 Ų1660.8 Ų60.86%0.06336%0.355CS..Hα-helixtrans-57.3-46.8172.2171.5-90.1000111.7H56 F59 R60 N63 V65 T69 L71 S72H56-Y67 HydrophobicContact CB-CE2 4.19Å; H56-Y67 AromaticContact ND1-CE2 3.43Å; H56-Y67 WeakPolarHBondContact ND1-CE2 3.28Å; H56-Y67 AromaticContact ND1-CZ 3.57Å; H56-Y67 PolarHBondContact ND1-OH 3.44Å; H56-Y67 WeakPolarHBondContact O-CE2 3.28Å; F59-Y67 HydrophobicContact CB-CD2 4.09Å; R60-Y67 HydrophobicContact CB-CD1 3.91Å; R60-Y67 HydrophobicContact CB-CD2 3.92Å; R60-Y67 HydrophobicContact CB-CE1 4.12Å; R60-Y67 HydrophobicContact CB-CE2 4.12Å; R60-Y67 HydrophobicContact CB-CG 3.83Å; R60-Y67 HydrophobicContact CG-CD1 3.92Å; R60-Y67 HydrophobicContact CG-CE1 4.13Å; R60-Y67 HydrophobicContact CG-CG 4.29Å; N63-Y67 WeakPolarHBondContact O-CB 3.44Å; N63-Y67 PolarHBondContact O-N 2.72Å; V65-Y67 PolarHBondContact O-N 3.45Å; Y67-T69 VanDerWaalsContact C-N 3.31Å; Y67-T69 PolarHBondContact O-N 3.3Å; Y67-L71 HydrophobicContact CD2-CB 3.81Å; Y67-L71 HydrophobicContact CD2-CD1 4.17Å; Y67-L71 HydrophobicContact CE2-CB 3.96Å; Y67-L71 PolarHBondContact O-N 3.17Å; Y67-S72 PolarHBondContact O-N 2.69Å
68N85.3Confident79.7Confident94 Ų9469.6 Ų69.650%0.50339%0.393SS..Hα-helixtrans-63-36.6178.9-75.2-19.3000112.3P64 V65 K66 S72P64-N68 VanDerWaalsContact O-CB 3.29Å; P64-N68 WeakPolarHBondContact O-CB 3.37Å; P64-N68 PolarHBondContact O-N 3.37Å; P64-N68 PolarHBondContact O-ND2 3.35Å; V65-N68 PolarHBondContact O-N 2.97Å; K66-N68 VanDerWaalsContact C-N 3.34Å; K66-N68 PolarHBondContact O-N 3.37Å; N68-S72 PolarHBondContact O-OG 2.97Å
69T82.8Confident78.7Confident116 Ų11670.8 Ų70.871%0.71240%0.401SS*.Hα-helixtrans-78-40.3178.2-53.50000113.9V65 K66 Y67V65-T69 PolarHBondContact O-N 2.91Å; V65-T69 VanDerWaalsContact O-N 3.08Å; V65-T69 PolarHBondContact O-OG1 3.47Å; K66-T69 PolarHBondContact O-N 2.75Å; Y67-T69 VanDerWaalsContact C-N 3.31Å; Y67-T69 PolarHBondContact O-N 3.3Å
70E81.4Confident78Confident62 Ų6272.7 Ų72.729%0.2941%0.412SS..Hα-helixtrans-108.2-25.3-168.6-69.1-172.9-141.200115.7K66 F74K66-E70 VanDerWaalsContact CE-CD 3.48Å; K66-E70 WeakPolarHBondContact CE-OE1 3.39Å; K66-E70 HydrophobicContact CG-CG 4.4Å; K66-E70 WeakPolarHBondContact O-CB 3.43Å; K66-E70 PolarHBondContact O-N 3.02Å; E70-F74 VanDerWaalsContact O-CE2 3.25Å; E70-F74 WeakPolarHBondContact O-CE2 3.31Å
71L82.3Confident77.7Confident1 Ų169.8 Ų69.81%0.00541%0.411CS..THydrogen-bonded Turntrans-121.7-24.4-173-69-172.9000115.3F59 Y67 G73 F74 F83 A86 W90F59-L71 HydrophobicContact CB-CD1 3.81Å; F59-L71 HydrophobicContact CD2-CD1 3.82Å; F59-L71 HydrophobicContact CG-CD1 3.83Å; Y67-L71 HydrophobicContact CD2-CB 3.81Å; Y67-L71 HydrophobicContact CD2-CD1 4.17Å; Y67-L71 HydrophobicContact CE2-CB 3.96Å; Y67-L71 PolarHBondContact O-N 3.17Å; L71-G73 VanDerWaalsContact C-N 3.27Å; L71-G73 PolarHBondContact O-N 3.38Å; L71-F74 HydrophobicContact CD2-CD2 4.26Å; L71-F74 PolarHBondContact O-N 2.86Å; L71-F74 VanDerWaalsContact O-N 3.12Å; L71-F83 HydrophobicContact CB-CE2 4.27Å; L71-F83 HydrophobicContact CD1-CE2 3.98Å; L71-F83 HydrophobicContact CD1-CZ 4.48Å; L71-F83 HydrophobicContact CD2-CD2 3.89Å; L71-F83 HydrophobicContact CD2-CE2 3.97Å; L71-F83 HydrophobicContact CG-CE2 4.31Å; L71-A86 HydrophobicContact CD2-CB 3.49Å; L71-A86 VanDerWaalsContact CD2-CB 3.49Å; L71-W90 HydrophobicContact CD1-CE3 3.71Å; L71-W90 HydrophobicContact CD1-CZ3 3.74Å; L71-W90 HydrophobicContact CG-CE3 4.23Å; L71-W90 HydrophobicContact CG-CZ3 4.3Å
72S78.6Confident77.4Confident42 Ų4268.8 Ų68.829%0.29441%0.41SS..G310 helixtrans-59-35.8-175.5710000113.7Y67 N68 F74 L75Y67-S72 PolarHBondContact O-N 2.69Å; N68-S72 PolarHBondContact O-OG 2.97Å; S72-F74 PolarHBondContact O-N 2.9Å; S72-F74 VanDerWaalsContact O-N 3.12Å; S72-L75 WeakPolarHBondContact O-CD1 3.48Å; S72-L75 WeakPolarHBondContact O-CG 3.33Å
73G74.6Confident77.4Confident70 Ų7067.9 Ų67.972%0.72241%0.405SS*.G310 helixtrans-67.9-6.4179.500000115L71L71-G73 VanDerWaalsContact C-N 3.27Å; L71-G73 PolarHBondContact O-N 3.38Å
74F74.6Confident77.4Confident61 Ų6167.2 Ų67.227%0.26840%0.399SS..G310 helixtrans-104.824.4-178.7-54-50.4000114.1E70 L71 S72 G76 S79 F83 A86E70-F74 VanDerWaalsContact O-CE2 3.25Å; E70-F74 WeakPolarHBondContact O-CE2 3.31Å; L71-F74 HydrophobicContact CD2-CD2 4.26Å; L71-F74 PolarHBondContact O-N 2.86Å; L71-F74 VanDerWaalsContact O-N 3.12Å; S72-F74 PolarHBondContact O-N 2.9Å; S72-F74 VanDerWaalsContact O-N 3.12Å; F74-G76 VanDerWaalsContact C-N 3.26Å; F74-G76 PolarHBondContact O-N 2.88Å; F74-S79 VanDerWaalsContact C-OG 3.26Å; F74-S79 WeakPolarHBondContact CA-OG 3.46Å; F74-S79 WeakPolarHBondContact CB-OG 3.41Å; F74-S79 PolarHBondContact O-OG 3.22Å; F74-F83 HydrophobicContact CB-CB 3.78Å; F74-F83 HydrophobicContact CB-CD2 4.03Å; F74-F83 HydrophobicContact CB-CG 4.4Å; F74-F83 HydrophobicContact CD2-CB 4.2Å; F74-F83 HydrophobicContact CD2-CD2 4.39Å; F74-F83 HydrophobicContact CG-CB 4.2Å; F74-A86 HydrophobicContact CD2-CB 4.41Å; F74-A86 HydrophobicContact CE2-CB 3.76Å
75L66.2Low77.4Confident127 Ų12767.5 Ų67.567%0.66540%0.397SS*.  trans-71.875.9172.4-70.7166.6000111.3S72S72-L75 WeakPolarHBondContact O-CD1 3.48Å; S72-L75 WeakPolarHBondContact O-CG 3.33Å
76G60Low77.5Confident41 Ų4163 Ų6342%0.42337%0.37SS..SBendtrans156.8157.4169.800000116.2F74 K78 S79F74-G76 VanDerWaalsContact C-N 3.26Å; F74-G76 PolarHBondContact O-N 2.88Å; G76-K78 PolarHBondContact O-N 3.01Å; G76-S79 PolarHBondContact O-N 3.06Å; G76-S79 PolarHBondContact O-OG 3.1Å
77S57.6Low77.7Confident106 Ų10661 Ų6174%0.74136%0.362SS*.G310 helixtrans-57.2-24.8-171.957.80000116S79S77-S79 PolarHBondContact O-N 3.28Å
78K56.6Low77.6Confident215 Ų21563.3 Ų63.394%0.93537%0.371SS*.G310 helixtrans-74-2.2176.5-67.1-172.6177.6-179.60113.6G76G76-K78 PolarHBondContact O-N 3.01Å
79S71.6Confident77.6Confident27 Ų2766.4 Ų66.419%0.18938%0.375CS..G310 helixtrans-126.35.5-173.372.60000115.2F74 G76 S77 V81 G82 F83F74-S79 VanDerWaalsContact C-OG 3.26Å; F74-S79 WeakPolarHBondContact CA-OG 3.46Å; F74-S79 WeakPolarHBondContact CB-OG 3.41Å; F74-S79 PolarHBondContact O-OG 3.22Å; G76-S79 PolarHBondContact O-N 3.06Å; G76-S79 PolarHBondContact O-OG 3.1Å; S77-S79 PolarHBondContact O-N 3.28Å; S79-V81 PolarHBondContact O-N 3.44Å; S79-G82 WeakPolarHBondContact O-CA 3.22Å; S79-G82 PolarHBondContact O-N 3.21Å; S79-F83 PolarHBondContact O-N 2.93Å
80D75.3Confident77.8Confident40 Ų4061.2 Ų61.221%0.21434%0.343CS..Hα-helixtrans-43.2-41.8179.9-85.824.6000114.5K48 K84 W109K48-D80 WeakPolarHBondContact CE-OD2 3.06Å; K48-D80 IonicContact NZ-OD2 2.61Å; K48-D80 PolarHBondContact NZ-OD2 3.24Å; D80-K84 WeakPolarHBondContact O-CB 3.16Å; D80-K84 PolarHBondContact O-N 3.02Å; D80-W109 HydrophobicContact CB-CZ2 4.41Å; D80-W109 WeakPolarHBondContact O-CZ2 3.47Å
81V81.9Confident77.9Confident95 Ų9558.3 Ų58.358%0.57633%0.329SS*.Hα-helixtrans-70.3-37.7-180-177.10000111.5S79 N85S79-V81 PolarHBondContact O-N 3.44Å; V81-N85 WeakPolarHBondContact O-CB 3.17Å; V81-N85 PolarHBondContact O-N 3.12Å; V81-N85 PolarHBondContact O-ND2 3.25Å; V81-N85 PolarHBondContact O-OD1 3.19Å
82G82.3Confident77.9Confident26 Ų2665.7 Ų65.727%0.26836%0.357SS..Hα-helixtrans-64.4-52.7174.100000111.3S79 K84 N85 A86S79-G82 WeakPolarHBondContact O-CA 3.22Å; S79-G82 PolarHBondContact O-N 3.21Å; G82-K84 PolarHBondContact O-N 3.18Å; G82-N85 PolarHBondContact O-N 2.98Å; G82-A86 WeakPolarHBondContact O-CB 3.38Å; G82-A86 PolarHBondContact O-N 3.49Å
83F85.8Confident78Confident3 Ų368 Ų681%0.01337%0.365CS..Hα-helixtrans-59.2-45176.4-173.4-92000112.2I52 L55 H56 L71 F74 S79 N85 A86 T87 W109I52-F83 HydrophobicContact CG2-CE1 4.33Å; L55-F83 HydrophobicContact CB-CE1 4.12Å; L55-F83 HydrophobicContact CB-CZ 3.99Å; L55-F83 HydrophobicContact CD1-CE1 4.11Å; H56-F83 AromaticContact CD2-CE2 3.52Å; H56-F83 AromaticContact CD2-CZ 3.66Å; H56-F83 AromaticContact CE1-CD2 3.66Å; H56-F83 AromaticContact CE1-CE2 3.33Å; H56-F83 WeakPolarHBondContact CE1-CE2 3.48Å; H56-F83 AromaticContact CG-CE2 3.8Å; H56-F83 AromaticContact ND1-CE2 3.68Å; H56-F83 AromaticContact NE2-CD2 3.5Å; H56-F83 WeakPolarHBondContact NE2-CD2 3.36Å; H56-F83 AromaticContact NE2-CE2 3.22Å; H56-F83 WeakPolarHBondContact NE2-CE2 3.36Å; H56-F83 AromaticContact NE2-CZ 3.81Å; L71-F83 HydrophobicContact CB-CE2 4.27Å; L71-F83 HydrophobicContact CD1-CE2 3.98Å; L71-F83 HydrophobicContact CD1-CZ 4.48Å; L71-F83 HydrophobicContact CD2-CD2 3.89Å; L71-F83 HydrophobicContact CD2-CE2 3.97Å; L71-F83 HydrophobicContact CG-CE2 4.31Å; F74-F83 HydrophobicContact CB-CB 3.78Å; F74-F83 HydrophobicContact CB-CD2 4.03Å; F74-F83 HydrophobicContact CB-CG 4.4Å; F74-F83 HydrophobicContact CD2-CB 4.2Å; F74-F83 HydrophobicContact CD2-CD2 4.39Å; F74-F83 HydrophobicContact CG-CB 4.2Å; S79-F83 PolarHBondContact O-N 2.93Å; F83-N85 VanDerWaalsContact C-N 3.33Å; F83-N85 PolarHBondContact O-N 3.09Å; F83-A86 PolarHBondContact O-N 3.29Å; F83-T87 WeakPolarHBondContact CD1-OG1 3.45Å; F83-T87 WeakPolarHBondContact CE1-OG1 3.45Å; F83-T87 WeakPolarHBondContact CZ-OG1 3.31Å; F83-T87 WeakPolarHBondContact O-CB 3.29Å; F83-T87 PolarHBondContact O-N 2.87Å; F83-T87 PolarHBondContact O-OG1 2.71Å; F83-W109 AromaticContact CD1-CH2 3.49Å; F83-W109 HydrophobicContact CD1-CH2 3.49Å; F83-W109 VanDerWaalsContact CD1-CH2 3.49Å; F83-W109 AromaticContact CD1-CZ3 3.68Å; F83-W109 HydrophobicContact CD1-CZ3 3.68Å; F83-W109 HydrophobicContact CE1-CH2 4.1Å; F83-W109 AromaticContact CE1-CZ3 3.9Å; F83-W109 HydrophobicContact CE1-CZ3 3.9Å
84K86Confident78.2Confident52 Ų5265.2 Ų65.223%0.22633%0.333CS..Hα-helixtrans-55.4-48.1176.1-177.4-170.471.71730111.4D80 G82 Y88 F105 F106 W109D80-K84 WeakPolarHBondContact O-CB 3.16Å; D80-K84 PolarHBondContact O-N 3.02Å; G82-K84 PolarHBondContact O-N 3.18Å; K84-Y88 WeakPolarHBondContact O-CB 3.27Å; K84-Y88 PolarHBondContact O-N 3.42Å; K84-F105 HydrophobicContact CG-CE1 3.91Å; K84-F105 HydrophobicContact CG-CZ 4.4Å; K84-F106 HydrophobicContact CD-CD1 4.23Å; K84-F106 HydrophobicContact CD-CE1 4.24Å; K84-F106 HydrophobicContact CG-CE1 4.34Å; K84-W109 HydrophobicContact CB-CD2 4.02Å; K84-W109 HydrophobicContact CB-CE3 4.44Å; K84-W109 HydrophobicContact CB-CH2 4.34Å; K84-W109 HydrophobicContact CB-CZ2 3.87Å; K84-W109 VanDerWaalsContact CD-CD1 3.47Å; K84-W109 HydrophobicContact CD-CD2 4.23Å; K84-W109 HydrophobicContact CD-CG 3.89Å; K84-W109 HydrophobicContact CG-CD2 3.77Å; K84-W109 HydrophobicContact CG-CE3 4.36Å; K84-W109 HydrophobicContact CG-CG 3.84Å
85N86.6Confident78.2Confident76 Ų7663.5 Ų63.541%0.40633%0.329SS..Hα-helixtrans-72.3-40-176.4-69.1-6000111.8V81 G82 F83 Y88 R89V81-N85 WeakPolarHBondContact O-CB 3.17Å; V81-N85 PolarHBondContact O-N 3.12Å; V81-N85 PolarHBondContact O-ND2 3.25Å; V81-N85 PolarHBondContact O-OD1 3.19Å; G82-N85 PolarHBondContact O-N 2.98Å; F83-N85 VanDerWaalsContact C-N 3.33Å; F83-N85 PolarHBondContact O-N 3.09Å; N85-Y88 PolarHBondContact O-N 2.99Å; N85-R89 WeakPolarHBondContact O-CG 3.24Å; N85-R89 PolarHBondContact O-N 2.9Å
86A85.9Confident78.3Confident10 Ų1061.8 Ų61.88%0.08333%0.334CS..Hα-helixtrans-66.3-44.1175.100000111.7L71 F74 G82 F83 Y88 R89 W90L71-A86 HydrophobicContact CD2-CB 3.49Å; L71-A86 VanDerWaalsContact CD2-CB 3.49Å; F74-A86 HydrophobicContact CD2-CB 4.41Å; F74-A86 HydrophobicContact CE2-CB 3.76Å; G82-A86 WeakPolarHBondContact O-CB 3.38Å; G82-A86 PolarHBondContact O-N 3.49Å; F83-A86 PolarHBondContact O-N 3.29Å; A86-Y88 PolarHBondContact O-N 2.91Å; A86-R89 WeakPolarHBondContact O-CB 3.3Å; A86-R89 PolarHBondContact O-N 3.44Å; A86-W90 PolarHBondContact O-N 3.2Å
87T87.7Confident78.5Confident0 Ų065.6 Ų65.60%034%0.34CS..Hα-helixtrans-56.7-49.6171.3-65.80000111.1L55 F59 F83 R89 W90 L91 F105L55-T87 HydrophobicContact CD1-CG2 4.46Å; F59-T87 HydrophobicContact CE2-CG2 3.62Å; F59-T87 HydrophobicContact CZ-CG2 3.92Å; F83-T87 WeakPolarHBondContact CD1-OG1 3.45Å; F83-T87 WeakPolarHBondContact CE1-OG1 3.45Å; F83-T87 WeakPolarHBondContact CZ-OG1 3.31Å; F83-T87 WeakPolarHBondContact O-CB 3.29Å; F83-T87 PolarHBondContact O-N 2.87Å; F83-T87 PolarHBondContact O-OG1 2.71Å; T87-R89 VanDerWaalsContact C-N 3.33Å; T87-R89 PolarHBondContact O-N 3.47Å; T87-W90 PolarHBondContact O-N 3.3Å; T87-W90 VanDerWaalsContact O-N 3.13Å; T87-L91 HydrophobicContact CG2-CD1 3.93Å; T87-L91 HydrophobicContact CG2-CG 4.15Å; T87-L91 WeakPolarHBondContact O-CB 3.33Å; T87-L91 WeakPolarHBondContact O-CG 3.43Å; T87-L91 PolarHBondContact O-N 3.47Å; T87-F105 HydrophobicContact CG2-CE1 4.39Å; T87-F105 HydrophobicContact CG2-CE2 3.53Å; T87-F105 HydrophobicContact CG2-CZ 3.45Å; T87-F105 VanDerWaalsContact CG2-CZ 3.45Å
88Y86.7Confident78.7Confident66 Ų6662.6 Ų62.626%0.25931%0.314SS..Hα-helixtrans-61.6-39.1178-179.6-108.1000112.6K84 N85 A86 L91 R92 T102 F105 F106K84-Y88 WeakPolarHBondContact O-CB 3.27Å; K84-Y88 PolarHBondContact O-N 3.42Å; N85-Y88 PolarHBondContact O-N 2.99Å; A86-Y88 PolarHBondContact O-N 2.91Å; Y88-L91 PolarHBondContact O-N 3.38Å; Y88-R92 HydrophobicContact CD1-CG 4.26Å; Y88-R92 HydrophobicContact CE1-CG 3.85Å; Y88-R92 HydrophobicContact CE2-CG 4.12Å; Y88-R92 WeakPolarHBondContact O-CB 3.44Å; Y88-R92 VanDerWaalsContact O-CG 3.27Å; Y88-R92 WeakPolarHBondContact O-CG 3.33Å; Y88-R92 PolarHBondContact O-N 3.32Å; Y88-T102 HydrophobicContact CD2-CG2 4.48Å; Y88-T102 HydrophobicContact CE2-CG2 4Å; Y88-F105 HydrophobicContact CD2-CB 4.47Å; Y88-F105 AromaticContact CD2-CD1 3.82Å; Y88-F105 HydrophobicContact CD2-CD1 3.82Å; Y88-F105 HydrophobicContact CD2-CG 4.44Å; Y88-F105 HydrophobicContact CG-CD1 4.33Å; Y88-F106 HydrophobicContact CD1-CE2 4.09Å; Y88-F106 AromaticContact CD1-CZ 3.67Å; Y88-F106 HydrophobicContact CD1-CZ 3.67Å; Y88-F106 HydrophobicContact CD2-CD2 4.44Å; Y88-F106 AromaticContact CD2-CE2 3.65Å; Y88-F106 HydrophobicContact CD2-CE2 3.65Å; Y88-F106 AromaticContact CD2-CZ 3.71Å; Y88-F106 HydrophobicContact CD2-CZ 3.71Å; Y88-F106 AromaticContact CE1-CE2 3.91Å; Y88-F106 HydrophobicContact CE1-CE2 3.91Å; Y88-F106 AromaticContact CE1-CZ 3.92Å; Y88-F106 HydrophobicContact CE1-CZ 3.92Å; Y88-F106 HydrophobicContact CE2-CD2 4.24Å; Y88-F106 AromaticContact CE2-CE2 3.47Å; Y88-F106 HydrophobicContact CE2-CE2 3.47Å; Y88-F106 VanDerWaalsContact CE2-CE2 3.47Å; Y88-F106 AromaticContact CE2-CZ 3.97Å; Y88-F106 HydrophobicContact CE2-CZ 3.97Å; Y88-F106 HydrophobicContact CG-CE1 4.34Å; Y88-F106 AromaticContact CG-CE2 3.96Å; Y88-F106 HydrophobicContact CG-CE2 3.96Å; Y88-F106 AromaticContact CG-CZ 3.54Å; Y88-F106 HydrophobicContact CG-CZ 3.54Å; Y88-F106 AromaticContact CZ-CE2 3.6Å
89R85.2Confident78.9Confident158 Ų15857.2 Ų57.260%0.59630%0.301SS*.Hα-helixtrans-61.1-42.8172.5-76.5178.468.8-135.8-1.3111.8N85 A86 T87 R92 I93N85-R89 WeakPolarHBondContact O-CG 3.24Å; N85-R89 PolarHBondContact O-N 2.9Å; A86-R89 WeakPolarHBondContact O-CB 3.3Å; A86-R89 PolarHBondContact O-N 3.44Å; T87-R89 VanDerWaalsContact C-N 3.33Å; T87-R89 PolarHBondContact O-N 3.47Å; R89-R92 WeakPolarHBondContact O-CB 3.46Å; R89-R92 PolarHBondContact O-N 3.33Å; R89-I93 WeakPolarHBondContact O-CG1 3.28Å; R89-I93 PolarHBondContact O-N 2.99Å
90W86.7Confident78.6Confident8 Ų860.7 Ų60.73%0.0331%0.313CS..Hα-helixtrans-70.1-44.1178.4-159.2-10.1000111.3F59 L62 N63 K66 L71 A86 T87 R92 I93 L94F59-W90 HydrophobicContact CB-CE3 4.21Å; F59-W90 HydrophobicContact CB-CH2 3.98Å; F59-W90 HydrophobicContact CB-CZ3 3.62Å; F59-W90 AromaticContact CD1-CD2 3.65Å; F59-W90 HydrophobicContact CD1-CD2 3.65Å; F59-W90 AromaticContact CD1-CE2 3.98Å; F59-W90 AromaticContact CD1-CE3 3.46Å; F59-W90 HydrophobicContact CD1-CE3 3.46Å; F59-W90 VanDerWaalsContact CD1-CE3 3.46Å; F59-W90 HydrophobicContact CD1-CG 4.32Å; F59-W90 AromaticContact CD1-CH2 3.95Å; F59-W90 HydrophobicContact CD1-CH2 3.95Å; F59-W90 HydrophobicContact CD1-CZ2 4.11Å; F59-W90 AromaticContact CD1-CZ3 3.64Å; F59-W90 HydrophobicContact CD1-CZ3 3.64Å; F59-W90 HydrophobicContact CE1-CB 4.3Å; F59-W90 AromaticContact CE1-CD2 3.89Å; F59-W90 HydrophobicContact CE1-CD2 3.89Å; F59-W90 HydrophobicContact CE1-CE3 4.02Å; F59-W90 HydrophobicContact CE1-CG 4.06Å; F59-W90 AromaticContact CG-CE3 3.93Å; F59-W90 HydrophobicContact CG-CE3 3.93Å; F59-W90 HydrophobicContact CG-CH2 4.38Å; F59-W90 AromaticContact CG-CZ3 3.86Å; F59-W90 HydrophobicContact CG-CZ3 3.86Å; F59-W90 WeakPolarHBondContact O-CH2 3.43Å; L62-W90 HydrophobicContact CD2-CZ2 4.02Å; L62-W90 HydrophobicContact CG-CZ2 4.41Å; N63-W90 HydrophobicContact CB-CH2 4.13Å; N63-W90 HydrophobicContact CB-CZ2 3.88Å; K66-W90 HydrophobicContact CB-CH2 4.21Å; K66-W90 HydrophobicContact CB-CZ2 4.33Å; K66-W90 HydrophobicContact CD-CD2 4.21Å; K66-W90 HydrophobicContact CD-CH2 4.36Å; K66-W90 HydrophobicContact CD-CZ2 3.89Å; K66-W90 HydrophobicContact CG-CH2 4.34Å; K66-W90 HydrophobicContact CG-CZ2 4.35Å; K66-W90 VanDerWaalsContact NZ-CD1 3.3Å; L71-W90 HydrophobicContact CD1-CE3 3.71Å; L71-W90 HydrophobicContact CD1-CZ3 3.74Å; L71-W90 HydrophobicContact CG-CE3 4.23Å; L71-W90 HydrophobicContact CG-CZ3 4.3Å; A86-W90 PolarHBondContact O-N 3.2Å; T87-W90 PolarHBondContact O-N 3.3Å; T87-W90 VanDerWaalsContact O-N 3.13Å; W90-R92 VanDerWaalsContact C-N 3.27Å; W90-R92 PolarHBondContact O-N 3.49Å; W90-I93 WeakPolarHBondContact O-CB 3.49Å; W90-I93 PolarHBondContact O-N 2.84Å; W90-L94 WeakPolarHBondContact O-CG 3.46Å; W90-L94 PolarHBondContact O-N 3.44Å
91L84.9Confident78Confident0 Ų059 Ų590%030%0.303CS..Hα-helixtrans-58.3-36172.8-69.7-178.2000112.8F59 T87 Y88 L94 S95 V101 T102 F105 L124F59-L91 HydrophobicContact CE1-CD2 4.29Å; F59-L91 HydrophobicContact CZ-CD2 3.74Å; F59-L91 HydrophobicContact CZ-CG 4.04Å; T87-L91 HydrophobicContact CG2-CD1 3.93Å; T87-L91 HydrophobicContact CG2-CG 4.15Å; T87-L91 WeakPolarHBondContact O-CB 3.33Å; T87-L91 WeakPolarHBondContact O-CG 3.43Å; T87-L91 PolarHBondContact O-N 3.47Å; Y88-L91 PolarHBondContact O-N 3.38Å; L91-L94 PolarHBondContact O-N 2.86Å; L91-S95 VanDerWaalsContact O-CB 3.28Å; L91-S95 WeakPolarHBondContact O-CB 3.34Å; L91-S95 PolarHBondContact O-N 2.81Å; L91-S95 PolarHBondContact O-OG 2.93Å; L91-V101 HydrophobicContact CD2-CG1 3.66Å; L91-T102 HydrophobicContact CB-CG2 4.26Å; L91-F105 HydrophobicContact CD1-CB 4.29Å; L91-F105 HydrophobicContact CD1-CD2 3.35Å; L91-F105 HydrophobicContact CD1-CE2 3.77Å; L91-F105 HydrophobicContact CD1-CG 3.82Å; L91-L124 HydrophobicContact CD2-CD1 4.06Å
92R82.4Confident77Confident157 Ų15755.7 Ų55.759%0.59228%0.283SS*.Hα-helixtrans-62-42.7172.2-81.5-97.8-71.9-168.1-2112.3Y88 R89 W90 S95 T102Y88-R92 HydrophobicContact CD1-CG 4.26Å; Y88-R92 HydrophobicContact CE1-CG 3.85Å; Y88-R92 HydrophobicContact CE2-CG 4.12Å; Y88-R92 WeakPolarHBondContact O-CB 3.44Å; Y88-R92 VanDerWaalsContact O-CG 3.27Å; Y88-R92 WeakPolarHBondContact O-CG 3.33Å; Y88-R92 PolarHBondContact O-N 3.32Å; R89-R92 WeakPolarHBondContact O-CB 3.46Å; R89-R92 PolarHBondContact O-N 3.33Å; W90-R92 VanDerWaalsContact C-N 3.27Å; W90-R92 PolarHBondContact O-N 3.49Å; R92-S95 WeakPolarHBondContact CA-OG 3.38Å; R92-S95 PolarHBondContact O-N 3.29Å; R92-S95 PolarHBondContact O-OG 3.07Å; R92-T102 HydrophobicContact CG-CG2 4.1Å
93I80.6Confident76.1Confident91 Ų9160.2 Ų60.247%0.46731%0.311SS..Hα-helixtrans-63.7-50.7175-64.5163.5000109.8R89 W90 S95 A96R89-I93 WeakPolarHBondContact O-CG1 3.28Å; R89-I93 PolarHBondContact O-N 2.99Å; W90-I93 WeakPolarHBondContact O-CB 3.49Å; W90-I93 PolarHBondContact O-N 2.84Å; I93-S95 PolarHBondContact O-N 3.27Å; I93-A96 WeakPolarHBondContact O-CB 3.25Å; I93-A96 PolarHBondContact O-N 3.18Å; I93-A96 VanDerWaalsContact O-N 3.15Å
94L77.7Confident75.3Confident10 Ų1061.4 Ų61.45%0.05232%0.32CS..Hα-helixtrans-61.9-27.5178.5-61179.6000112.7F59 L62 W90 L91 A96 E97 F98 L124 Y127F59-L94 HydrophobicContact CE1-CD1 4.1Å; L62-L94 HydrophobicContact CD2-CD1 3.63Å; L62-L94 HydrophobicContact CD2-CD2 4.08Å; W90-L94 WeakPolarHBondContact O-CG 3.46Å; W90-L94 PolarHBondContact O-N 3.44Å; L91-L94 PolarHBondContact O-N 2.86Å; L94-A96 PolarHBondContact O-N 3.34Å; L94-E97 PolarHBondContact O-N 2.97Å; L94-F98 PolarHBondContact O-N 3.42Å; L94-L124 HydrophobicContact CD1-CD1 4.37Å; L94-Y127 HydrophobicContact CD1-CE1 4.16Å; L94-Y127 HydrophobicContact CD2-CE1 3.76Å; L94-Y127 HydrophobicContact CG-CE1 4.41Å
95S74.1Confident75.2Confident26 Ų2659 Ų5918%0.18231%0.31CS..THydrogen-bonded Turntrans-70.3-13.7178.969.50000115L91 R92 I93 E97 F98 P99 T102L91-S95 VanDerWaalsContact O-CB 3.28Å; L91-S95 WeakPolarHBondContact O-CB 3.34Å; L91-S95 PolarHBondContact O-N 2.81Å; L91-S95 PolarHBondContact O-OG 2.93Å; R92-S95 WeakPolarHBondContact CA-OG 3.38Å; R92-S95 PolarHBondContact O-N 3.29Å; R92-S95 PolarHBondContact O-OG 3.07Å; I93-S95 PolarHBondContact O-N 3.27Å; S95-E97 VanDerWaalsContact C-N 3.3Å; S95-F98 WeakPolarHBondContact CA-O 3.45Å; S95-P99 WeakPolarHBondContact O-CA 3.47Å; S95-T102 WeakPolarHBondContact CB-OG1 3.42Å; S95-T102 PolarHBondContact OG-OG1 2.89Å
96A69.9Low75.1Confident91 Ų9160.1 Ų60.175%0.75231%0.311SS*.THydrogen-bonded Turntrans-70.1-29.7167.500000112.1I93 L94I93-A96 WeakPolarHBondContact O-CB 3.25Å; I93-A96 PolarHBondContact O-N 3.18Å; I93-A96 VanDerWaalsContact O-N 3.15Å; L94-A96 PolarHBondContact O-N 3.34Å
97E63.1Low74.8Confident120 Ų12063.1 Ų63.156%0.56134%0.336SS*.THydrogen-bonded Turntrans-94.1-29.8176.4-64.2171.5-155.500112.1L94 S95 Y127L94-E97 PolarHBondContact O-N 2.97Å; S95-E97 VanDerWaalsContact C-N 3.3Å; E97-Y127 PolarHBondContact OE2-OH 2.93Å
98F62.6Low74.6Confident44 Ų4463.4 Ų63.419%0.19334%0.338CS..  trans-139.790.3-177.2-123-97.8000111.8L94 S95 K100 V101 Y127 W151L94-F98 PolarHBondContact O-N 3.42Å; S95-F98 WeakPolarHBondContact CA-O 3.45Å; F98-K100 PolarHBondContact O-N 3.01Å; F98-V101 HydrophobicContact CB-CG2 4.32Å; F98-Y127 HydrophobicContact CB-CD2 4.18Å; F98-Y127 AromaticContact CD2-CD2 3.75Å; F98-Y127 HydrophobicContact CD2-CD2 3.75Å; F98-Y127 HydrophobicContact CD2-CE2 4.31Å; F98-Y127 HydrophobicContact CE2-CD2 4.36Å; F98-Y127 HydrophobicContact CG-CD2 4.02Å; F98-W151 HydrophobicContact CZ-CZ2 4.37Å
99P60.3Low74.5Confident101 Ų10161.2 Ų61.266%0.65633%0.329SS*.THydrogen-bonded Turntrans-59.4-18.4-168.9-28.935.8000116.8S95 V101S95-P99 WeakPolarHBondContact O-CA 3.47Å; P99-V101 PolarHBondContact O-N 2.73Å
100K64.2Low74.4Confident101 Ų10156.6 Ų56.644%0.43933%0.331SS..THydrogen-bonded Turntrans-90.410-166.3-59.5-177.6-176.9176.30115.1F98 N123F98-K100 PolarHBondContact O-N 3.01Å; K100-N123 PolarHBondContact O-ND2 3.34Å
101V62.8Low74.2Confident3 Ų359.7 Ų59.72%0.01835%0.353CS..SBendtrans-99.3-28.4-173.6-162.20000113.3L91 F98 P99 L120 N123 L124L91-V101 HydrophobicContact CD2-CG1 3.66Å; F98-V101 HydrophobicContact CB-CG2 4.32Å; P99-V101 PolarHBondContact O-N 2.73Å; V101-L120 HydrophobicContact CG1-CD1 3.69Å; V101-L120 WeakPolarHBondContact O-CD1 3.45Å; V101-N123 HydrophobicContact CG2-CB 4.33Å; V101-L124 HydrophobicContact CG1-CB 4.43Å
102T62Low74.1Confident26 Ų2659.7 Ų59.716%0.1635%0.353CS..SBendtrans-89.1-34.4-164.30.20000115.8Y88 L91 R92 S95 S104 F105Y88-T102 HydrophobicContact CD2-CG2 4.48Å; Y88-T102 HydrophobicContact CE2-CG2 4Å; L91-T102 HydrophobicContact CB-CG2 4.26Å; R92-T102 HydrophobicContact CG-CG2 4.1Å; S95-T102 WeakPolarHBondContact CB-OG1 3.42Å; S95-T102 PolarHBondContact OG-OG1 2.89Å; T102-S104 PolarHBondContact O-N 3.42Å; T102-F105 PolarHBondContact O-N 3.07Å
103S63.5Low74.2Confident121 Ų12153.6 Ų53.685%0.84634%0.336SS*.THydrogen-bonded Turntrans-62.3-20.4-16257.50000115.7
104S69.5Low74.4Confident29 Ų2950.3 Ų50.320%0.20332%0.324CS..THydrogen-bonded Turntrans-1164.9-177.653.70000114.5T102 F106 A107 T108T102-S104 PolarHBondContact O-N 3.42Å; S104-F106 PolarHBondContact O-N 2.85Å; S104-A107 PolarHBondContact O-N 3.07Å; S104-T108 VanDerWaalsContact O-CB 3.25Å; S104-T108 WeakPolarHBondContact O-CB 3.5Å; S104-T108 PolarHBondContact O-N 3.02Å; S104-T108 PolarHBondContact O-OG1 2.99Å
105F83.3Confident74.7Confident1 Ų151.2 Ų51.20%0.00433%0.33CS..Hα-helixtrans-58.6-47.4-170.2178.6-104.6000113.8L55 K84 T87 Y88 L91 T102 T108 W109 L120L55-F105 HydrophobicContact CD1-CE2 4.41Å; K84-F105 HydrophobicContact CG-CE1 3.91Å; K84-F105 HydrophobicContact CG-CZ 4.4Å; T87-F105 HydrophobicContact CG2-CE1 4.39Å; T87-F105 HydrophobicContact CG2-CE2 3.53Å; T87-F105 HydrophobicContact CG2-CZ 3.45Å; T87-F105 VanDerWaalsContact CG2-CZ 3.45Å; Y88-F105 HydrophobicContact CD2-CB 4.47Å; Y88-F105 AromaticContact CD2-CD1 3.82Å; Y88-F105 HydrophobicContact CD2-CD1 3.82Å; Y88-F105 HydrophobicContact CD2-CG 4.44Å; Y88-F105 HydrophobicContact CG-CD1 4.33Å; L91-F105 HydrophobicContact CD1-CB 4.29Å; L91-F105 HydrophobicContact CD1-CD2 3.35Å; L91-F105 HydrophobicContact CD1-CE2 3.77Å; L91-F105 HydrophobicContact CD1-CG 3.82Å; T102-F105 PolarHBondContact O-N 3.07Å; F105-T108 PolarHBondContact O-N 3.32Å; F105-W109 HydrophobicContact CE1-CE3 4.47Å; F105-W109 HydrophobicContact CE2-CE3 4.12Å; F105-W109 HydrophobicContact CZ-CD2 4.33Å; F105-W109 AromaticContact CZ-CE3 3.64Å; F105-W109 HydrophobicContact CZ-CE3 3.64Å; F105-W109 HydrophobicContact CZ-CZ3 4.34Å; F105-W109 WeakPolarHBondContact O-CB 3.41Å; F105-W109 PolarHBondContact O-N 3.02Å; F105-L120 HydrophobicContact CD2-CD2 3.94Å
106F84.3Confident75.1Confident99 Ų9951.1 Ų51.143%0.43433%0.334SS..Hα-helixtrans-68.5-39.2-176.3-70.7-65000113.5K84 Y88 S104 W109 G110K84-F106 HydrophobicContact CD-CD1 4.23Å; K84-F106 HydrophobicContact CD-CE1 4.24Å; K84-F106 HydrophobicContact CG-CE1 4.34Å; Y88-F106 HydrophobicContact CD1-CE2 4.09Å; Y88-F106 AromaticContact CD1-CZ 3.67Å; Y88-F106 HydrophobicContact CD1-CZ 3.67Å; Y88-F106 HydrophobicContact CD2-CD2 4.44Å; Y88-F106 AromaticContact CD2-CE2 3.65Å; Y88-F106 HydrophobicContact CD2-CE2 3.65Å; Y88-F106 AromaticContact CD2-CZ 3.71Å; Y88-F106 HydrophobicContact CD2-CZ 3.71Å; Y88-F106 AromaticContact CE1-CE2 3.91Å; Y88-F106 HydrophobicContact CE1-CE2 3.91Å; Y88-F106 AromaticContact CE1-CZ 3.92Å; Y88-F106 HydrophobicContact CE1-CZ 3.92Å; Y88-F106 HydrophobicContact CE2-CD2 4.24Å; Y88-F106 AromaticContact CE2-CE2 3.47Å; Y88-F106 HydrophobicContact CE2-CE2 3.47Å; Y88-F106 VanDerWaalsContact CE2-CE2 3.47Å; Y88-F106 AromaticContact CE2-CZ 3.97Å; Y88-F106 HydrophobicContact CE2-CZ 3.97Å; Y88-F106 HydrophobicContact CG-CE1 4.34Å; Y88-F106 AromaticContact CG-CE2 3.96Å; Y88-F106 HydrophobicContact CG-CE2 3.96Å; Y88-F106 AromaticContact CG-CZ 3.54Å; Y88-F106 HydrophobicContact CG-CZ 3.54Å; Y88-F106 AromaticContact CZ-CE2 3.6Å; S104-F106 PolarHBondContact O-N 2.85Å; F106-W109 PolarHBondContact O-N 2.72Å; F106-G110 PolarHBondContact O-N 3.08Å; F106-G110 VanDerWaalsContact O-N 3.09Å
107A80.4Confident75.9Confident73 Ų7346.9 Ų46.960%0.60330%0.298SS*.Hα-helixtrans-62.7-45.8173.500000110.8S104 W109 G110 C111S104-A107 PolarHBondContact O-N 3.07Å; A107-W109 VanDerWaalsContact C-N 3.32Å; A107-W109 PolarHBondContact O-N 3.45Å; A107-G110 PolarHBondContact O-N 3.32Å; A107-C111 PolarHBondContact O-N 3.44Å; A107-C111 VanDerWaalsContact O-N 3.17Å
108T82.4Confident77.1Confident7 Ų741.1 Ų41.14%0.04327%0.272CS..Hα-helixtrans-62.2-36.1177.1-56.30000112.6F51 S104 F105 C111 P112 V117 L120F51-T108 HydrophobicContact CE2-CG2 4.21Å; F51-T108 HydrophobicContact CZ-CG2 3.91Å; S104-T108 VanDerWaalsContact O-CB 3.25Å; S104-T108 WeakPolarHBondContact O-CB 3.5Å; S104-T108 PolarHBondContact O-N 3.02Å; S104-T108 PolarHBondContact O-OG1 2.99Å; F105-T108 PolarHBondContact O-N 3.32Å; T108-C111 CarbonylContact O-C 3.29Å; T108-C111 VanDerWaalsContact O-C 3.29Å; T108-P112 VanDerWaalsContact O-CA 3.25Å; T108-P112 WeakPolarHBondContact O-CA 3.33Å; T108-P112 VanDerWaalsContact O-N 3.16Å; T108-V117 VanDerWaalsContact CG2-CA 3.48Å; T108-V117 HydrophobicContact CG2-CB 3.99Å; T108-V117 HydrophobicContact CG2-CG1 4.44Å; T108-V117 HydrophobicContact CG2-CG2 3.58Å; T108-L120 HydrophobicContact CG2-CB 4.4Å; T108-L120 HydrophobicContact CG2-CD2 3.7Å
109W84.5Confident78.1Confident19 Ų1943.5 Ų43.57%0.07228%0.279CS..Hα-helixtrans-70.9-37176.5-177.6-83.4000112.8F51 I52 L55 D80 F83 K84 F105 F106 A107F51-W109 AromaticContact CE1-CE3 3.94Å; F51-W109 HydrophobicContact CE1-CE3 3.94Å; F51-W109 HydrophobicContact CE1-CZ3 4.37Å; I52-W109 HydrophobicContact CD1-CH2 3.5Å; I52-W109 HydrophobicContact CD1-CZ2 3.87Å; I52-W109 HydrophobicContact CD1-CZ3 4.32Å; I52-W109 HydrophobicContact CG1-CH2 3.49Å; I52-W109 VanDerWaalsContact CG1-CH2 3.49Å; I52-W109 HydrophobicContact CG1-CZ2 4.3Å; I52-W109 HydrophobicContact CG1-CZ3 3.84Å; L55-W109 HydrophobicContact CD1-CE3 4.47Å; L55-W109 HydrophobicContact CD1-CZ3 4.08Å; D80-W109 HydrophobicContact CB-CZ2 4.41Å; D80-W109 WeakPolarHBondContact O-CZ2 3.47Å; F83-W109 AromaticContact CD1-CH2 3.49Å; F83-W109 HydrophobicContact CD1-CH2 3.49Å; F83-W109 VanDerWaalsContact CD1-CH2 3.49Å; F83-W109 AromaticContact CD1-CZ3 3.68Å; F83-W109 HydrophobicContact CD1-CZ3 3.68Å; F83-W109 HydrophobicContact CE1-CH2 4.1Å; F83-W109 AromaticContact CE1-CZ3 3.9Å; F83-W109 HydrophobicContact CE1-CZ3 3.9Å; K84-W109 HydrophobicContact CB-CD2 4.02Å; K84-W109 HydrophobicContact CB-CE3 4.44Å; K84-W109 HydrophobicContact CB-CH2 4.34Å; K84-W109 HydrophobicContact CB-CZ2 3.87Å; K84-W109 VanDerWaalsContact CD-CD1 3.47Å; K84-W109 HydrophobicContact CD-CD2 4.23Å; K84-W109 HydrophobicContact CD-CG 3.89Å; K84-W109 HydrophobicContact CG-CD2 3.77Å; K84-W109 HydrophobicContact CG-CE3 4.36Å; K84-W109 HydrophobicContact CG-CG 3.84Å; F105-W109 HydrophobicContact CE1-CE3 4.47Å; F105-W109 HydrophobicContact CE2-CE3 4.12Å; F105-W109 HydrophobicContact CZ-CD2 4.33Å; F105-W109 AromaticContact CZ-CE3 3.64Å; F105-W109 HydrophobicContact CZ-CE3 3.64Å; F105-W109 HydrophobicContact CZ-CZ3 4.34Å; F105-W109 WeakPolarHBondContact O-CB 3.41Å; F105-W109 PolarHBondContact O-N 3.02Å; F106-W109 PolarHBondContact O-N 2.72Å; A107-W109 VanDerWaalsContact C-N 3.32Å; A107-W109 PolarHBondContact O-N 3.45Å
110G83.5Confident79.3Confident62 Ų6238.8 Ų38.864%0.63925%0.249SC*.Hα-helixtrans-67-46.5178.900000112.3F106 A107F106-G110 PolarHBondContact O-N 3.08Å; F106-G110 VanDerWaalsContact O-N 3.09Å; A107-G110 PolarHBondContact O-N 3.32Å
111C81.8Confident80.5Confident72 Ų7234 Ų3449%0.48623%0.228SC..SBendtrans-13193.3173.2-170.20000110.1A107 T108 A113A107-C111 PolarHBondContact O-N 3.44Å; A107-C111 VanDerWaalsContact O-N 3.17Å; T108-C111 CarbonylContact O-C 3.29Å; T108-C111 VanDerWaalsContact O-C 3.29Å; C111-A113 PolarHBondContact O-N 3.12Å
112P83.3Confident81.6Confident0 Ų034 Ų340%023%0.228CC..  trans-74.967.9175.927-33.9000112.2S46 R47 K48 F51 T108 V117S46-P112 WeakPolarHBondContact CA-O 3.29Å; S46-P112 VanDerWaalsContact OG-CD 3.3Å; S46-P112 WeakPolarHBondContact OG-CD 3.49Å; R47-P112 PolarHBondContact N-O 3.22Å; K48-P112 HydrophobicContact CB-CG 3.74Å; K48-P112 HydrophobicContact CG-CG 4.16Å; F51-P112 HydrophobicContact CB-CB 3.86Å; F51-P112 HydrophobicContact CB-CG 4.41Å; F51-P112 HydrophobicContact CD1-CB 3.77Å; F51-P112 HydrophobicContact CD1-CG 4.33Å; F51-P112 HydrophobicContact CD2-CB 4.4Å; F51-P112 HydrophobicContact CE1-CB 4.41Å; F51-P112 HydrophobicContact CG-CB 3.75Å; T108-P112 VanDerWaalsContact O-CA 3.25Å; T108-P112 WeakPolarHBondContact O-CA 3.33Å; T108-P112 VanDerWaalsContact O-N 3.16Å; P112-V117 HydrophobicContact CB-CG2 4.05Å
113A84.7Confident82.7Confident29 Ų2934.4 Ų34.424%0.2423%0.229CC..  trans-133.8156.6168.100000112.7F43 C111 V117F43-A113 CarbonylContact O-C 3.54Å; F43-A113 WeakPolarHBondContact O-CA 3.43Å; C111-A113 PolarHBondContact O-N 3.12Å; A113-V117 VanDerWaalsContact N-CG2 3.26Å
114G84.6Confident83.8Confident22 Ų2228.7 Ų28.723%0.22719%0.189CC..Hα-helixtrans77.8-159.7166.300000116.4F43 G116 V117 M118F43-G114 PolarHBondContact O-N 3.33Å; G114-G116 VanDerWaalsContact C-N 3.34Å; G114-G116 PolarHBondContact O-N 2.89Å; G114-V117 PolarHBondContact O-N 3.46Å; G114-M118 PolarHBondContact O-N 3.48Å
115V83.8Confident84.7Confident29 Ų2927.3 Ų27.318%0.17618%0.18CC..Hα-helixtrans-65.4-33.6-169-178.10000112.5S5 L8 L9 Y12 M118 R119S5-V115 VanDerWaalsContact O-CG2 3.3Å; S5-V115 WeakPolarHBondContact O-CG2 3.44Å; L8-V115 HydrophobicContact CB-CG1 4.01Å; L9-V115 HydrophobicContact CB-CG2 4.1Å; L9-V115 HydrophobicContact CD1-CG2 4.04Å; Y12-V115 HydrophobicContact CD2-CG1 4.08Å; Y12-V115 HydrophobicContact CE2-CG1 3.94Å; V115-M118 PolarHBondContact O-N 2.85Å; V115-R119 VanDerWaalsContact O-CB 3.26Å; V115-R119 WeakPolarHBondContact O-CB 3.4Å; V115-R119 PolarHBondContact O-N 2.9Å
116G83.7Confident84.8Confident25 Ų2529.3 Ų29.326%0.25819%0.193SC..Hα-helixtrans-60.4-50.7178.900000112.7G114 M118 R119 L120G114-G116 VanDerWaalsContact C-N 3.34Å; G114-G116 PolarHBondContact O-N 2.89Å; G116-M118 PolarHBondContact O-N 3.24Å; G116-R119 PolarHBondContact O-N 3.46Å; G116-L120 WeakPolarHBondContact O-CB 3.37Å; G116-L120 PolarHBondContact O-N 2.91Å
117V86.7Confident84.7Confident1 Ų125.5 Ų25.51%0.00618%0.176CC..Hα-helixtrans-57.9-49.5174.1-1760000111.3F43 F51 T108 P112 A113 G114 R119 L120 L121F43-V117 HydrophobicContact CD1-CG1 4.3Å; F51-V117 HydrophobicContact CD2-CG1 3.76Å; F51-V117 HydrophobicContact CE2-CG1 3.91Å; T108-V117 VanDerWaalsContact CG2-CA 3.48Å; T108-V117 HydrophobicContact CG2-CB 3.99Å; T108-V117 HydrophobicContact CG2-CG1 4.44Å; T108-V117 HydrophobicContact CG2-CG2 3.58Å; P112-V117 HydrophobicContact CB-CG2 4.05Å; A113-V117 VanDerWaalsContact N-CG2 3.26Å; G114-V117 PolarHBondContact O-N 3.46Å; V117-R119 VanDerWaalsContact C-N 3.3Å; V117-R119 PolarHBondContact O-N 2.95Å; V117-L120 PolarHBondContact O-N 3.42Å; V117-L121 HydrophobicContact CG1-CD1 3.78Å; V117-L121 HydrophobicContact CG1-CG 4.06Å; V117-L121 WeakPolarHBondContact O-CB 3.23Å; V117-L121 WeakPolarHBondContact O-CG 3.5Å; V117-L121 PolarHBondContact O-N 2.93Å
118M87.1Confident84.9Confident0 Ų022 Ų220%015%0.147CC..Hα-helixtrans-64.2-38.5-175.3-79.2-70170.600111.3L9 Y12 S13 V16 F39 F43 G114 V115 G116 A122L9-M118 HydrophobicContact CD1-CB 4.15Å; L9-M118 HydrophobicContact CD1-CG 3.78Å; Y12-M118 HydrophobicContact CG-CB 4.49Å; S13-M118 VanDerWaalsContact CA-SD 3.57Å; S13-M118 WeakPolarHBondContact OG-CE 3.42Å; S13-M118 PolarHBondContact OG-SD 3.45Å; V16-M118 HydrophobicContact CG2-SD 4.29Å; F39-M118 HydrophobicContact CD1-CE 4.18Å; F39-M118 HydrophobicContact CE1-CE 3.6Å; F39-M118 HydrophobicContact CE1-SD 4.07Å; F39-M118 HydrophobicContact CZ-CE 4.1Å; F43-M118 HydrophobicContact CB-CE 3.58Å; F43-M118 HydrophobicContact CD2-CE 3.34Å; F43-M118 HydrophobicContact CE2-CE 4.33Å; F43-M118 HydrophobicContact CG-CE 3.79Å; G114-M118 PolarHBondContact O-N 3.48Å; V115-M118 PolarHBondContact O-N 2.85Å; G116-M118 PolarHBondContact O-N 3.24Å; M118-A122 WeakPolarHBondContact O-CB 3.46Å; M118-A122 PolarHBondContact O-N 3.38Å
119R84.4Confident84.8Confident94 Ų9422.1 Ų22.136%0.35515%0.148SC..Hα-helixtrans-63.3-47.5172-176-177.3-66.8150.1-4.4111.8Y12 V115 G116 V117 A122 N123Y12-R119 HydrophobicContact CD2-CB 4.07Å; Y12-R119 HydrophobicContact CE1-CB 4.28Å; Y12-R119 HydrophobicContact CE1-CG 4.13Å; Y12-R119 HydrophobicContact CE2-CB 3.76Å; Y12-R119 HydrophobicContact CE2-CG 4.1Å; Y12-R119 HydrophobicContact CG-CB 4.48Å; Y12-R119 PolarHBondContact OH-NE 3Å; Y12-R119 VanDerWaalsContact OH-NE 3.09Å; V115-R119 VanDerWaalsContact O-CB 3.26Å; V115-R119 WeakPolarHBondContact O-CB 3.4Å; V115-R119 PolarHBondContact O-N 2.9Å; G116-R119 PolarHBondContact O-N 3.46Å; V117-R119 VanDerWaalsContact C-N 3.3Å; V117-R119 PolarHBondContact O-N 2.95Å; R119-A122 PolarHBondContact O-N 3.09Å; R119-N123 WeakPolarHBondContact O-CB 3.5Å; R119-N123 PolarHBondContact O-N 3.42Å; R119-N123 PolarHBondContact O-OD1 3.32Å
120L86Confident84.5Confident2 Ų222.3 Ų22.31%0.0115%0.151CC..Hα-helixtrans-59-51.5177.5176.768.7000111.4F51 V101 F105 T108 G116 V117 N123 L124F51-L120 HydrophobicContact CE2-CD2 4.07Å; F51-L120 HydrophobicContact CZ-CD2 3.8Å; V101-L120 HydrophobicContact CG1-CD1 3.69Å; V101-L120 WeakPolarHBondContact O-CD1 3.45Å; F105-L120 HydrophobicContact CD2-CD2 3.94Å; T108-L120 HydrophobicContact CG2-CB 4.4Å; T108-L120 HydrophobicContact CG2-CD2 3.7Å; G116-L120 WeakPolarHBondContact O-CB 3.37Å; G116-L120 PolarHBondContact O-N 2.91Å; V117-L120 PolarHBondContact O-N 3.42Å; L120-N123 PolarHBondContact O-N 3.5Å; L120-L124 VanDerWaalsContact O-CB 3.3Å; L120-L124 WeakPolarHBondContact O-CB 3.33Å; L120-L124 PolarHBondContact O-N 3.36Å
121L89.3Confident84.2Confident0 Ų020.8 Ų20.80%013%0.129CC..Hα-helixtrans-65.7-36.8179.1-69.2-176.4000111.9V16 F51 I54 L55 L58 V117 S125V16-L121 HydrophobicContact CG1-CB 4.16Å; V16-L121 HydrophobicContact CG1-CD1 4.46Å; V16-L121 HydrophobicContact CG2-CB 3.61Å; F51-L121 HydrophobicContact CD2-CD1 4.29Å; F51-L121 HydrophobicContact CD2-CD2 4.16Å; F51-L121 HydrophobicContact CD2-CG 4.36Å; F51-L121 HydrophobicContact CE2-CD2 3.94Å; F51-L121 HydrophobicContact CE2-CG 4.21Å; I54-L121 HydrophobicContact CD1-CD1 4.4Å; I54-L121 HydrophobicContact CG2-CD1 4.32Å; I54-L121 HydrophobicContact CG2-CD2 3.74Å; L55-L121 HydrophobicContact CD2-CD2 4.28Å; L58-L121 HydrophobicContact CD1-CD2 4.3Å; V117-L121 HydrophobicContact CG1-CD1 3.78Å; V117-L121 HydrophobicContact CG1-CG 4.06Å; V117-L121 WeakPolarHBondContact O-CB 3.23Å; V117-L121 WeakPolarHBondContact O-CG 3.5Å; V117-L121 PolarHBondContact O-N 2.93Å; L121-S125 WeakPolarHBondContact O-CB 3.48Å; L121-S125 PolarHBondContact O-N 3.29Å; L121-S125 PolarHBondContact O-OG 3.01Å
122A86Confident83.8Confident3 Ų319.6 Ų19.63%0.02512%0.122CC..Hα-helixtrans-65.5-46177.500000110.8Y12 V15 V16 M118 R119 S125 S126Y12-A122 HydrophobicContact CD1-CB 3.67Å; Y12-A122 HydrophobicContact CG-CB 4.3Å; V15-A122 HydrophobicContact CB-CB 4.27Å; V15-A122 HydrophobicContact CG1-CB 4Å; V16-A122 HydrophobicContact CG2-CB 3.91Å; V16-A122 VanDerWaalsContact CG2-N 3.29Å; M118-A122 WeakPolarHBondContact O-CB 3.46Å; M118-A122 PolarHBondContact O-N 3.38Å; R119-A122 PolarHBondContact O-N 3.09Å; A122-S125 PolarHBondContact O-OG 3.07Å; A122-S126 VanDerWaalsContact O-CB 3.25Å; A122-S126 WeakPolarHBondContact O-CB 3.47Å; A122-S126 PolarHBondContact O-N 3.38Å; A122-S126 PolarHBondContact O-OG 3.49Å
123N84.9Confident83.1Confident35 Ų3521.7 Ų21.719%0.18713%0.133CC..Hα-helixtrans-64.2-49.9177.5-67.4-5.3000110.9K100 V101 R119 L120 S126 Y127K100-N123 PolarHBondContact O-ND2 3.34Å; V101-N123 HydrophobicContact CG2-CB 4.33Å; R119-N123 WeakPolarHBondContact O-CB 3.5Å; R119-N123 PolarHBondContact O-N 3.42Å; R119-N123 PolarHBondContact O-OD1 3.32Å; L120-N123 PolarHBondContact O-N 3.5Å; N123-S126 PolarHBondContact O-N 2.85Å; N123-Y127 PolarHBondContact O-N 2.82Å
124L86.6Confident82.1Confident1 Ų127 Ų271%0.00516%0.157CC..Hα-helixtrans-64.7-48.7-178.9-176.363.1000111.9L55 L58 F59 L91 L94 V101 L120 S126 Y127 V128L55-L124 HydrophobicContact CD2-CD2 3.64Å; L58-L124 HydrophobicContact CB-CD2 4.27Å; L58-L124 HydrophobicContact CB-CG 4.45Å; L58-L124 HydrophobicContact CD1-CB 4.39Å; L58-L124 HydrophobicContact CD1-CD2 3.89Å; L58-L124 HydrophobicContact CD1-CG 4Å; F59-L124 HydrophobicContact CE1-CD1 4.49Å; F59-L124 HydrophobicContact CE2-CD2 4.35Å; F59-L124 HydrophobicContact CZ-CD2 4.2Å; L91-L124 HydrophobicContact CD2-CD1 4.06Å; L94-L124 HydrophobicContact CD1-CD1 4.37Å; V101-L124 HydrophobicContact CG1-CB 4.43Å; L120-L124 VanDerWaalsContact O-CB 3.3Å; L120-L124 WeakPolarHBondContact O-CB 3.33Å; L120-L124 PolarHBondContact O-N 3.36Å; L124-S126 VanDerWaalsContact C-N 3.3Å; L124-S126 PolarHBondContact O-N 2.8Å; L124-Y127 PolarHBondContact O-N 3.41Å; L124-V128 HydrophobicContact CD1-CG2 4.39Å; L124-V128 HydrophobicContact CG-CG2 4.48Å; L124-V128 VanDerWaalsContact O-CG2 3.32Å; L124-V128 WeakPolarHBondContact O-CG2 3.35Å; L124-V128 PolarHBondContact O-N 2.85Å
125S88Confident80.7Confident0 Ų028.7 Ų28.70%016%0.16CC..Hα-helixtrans-65.1-31.9179.363.40000113.2N19 L121 A122 L129N19-S125 PolarHBondContact ND2-OG 2.96Å; L121-S125 WeakPolarHBondContact O-CB 3.48Å; L121-S125 PolarHBondContact O-N 3.29Å; L121-S125 PolarHBondContact O-OG 3.01Å; A122-S125 PolarHBondContact O-OG 3.07Å; S125-L129 VanDerWaalsContact O-CB 3.25Å; S125-L129 WeakPolarHBondContact O-CB 3.43Å; S125-L129 PolarHBondContact O-N 3.5Å
126S84.1Confident79.4Confident42 Ų4231.5 Ų31.529%0.29417%0.173SC..Hα-helixtrans-69.5-41.9174.3-56.30000111.2N19 A122 N123 L124 L129 V130N19-S126 WeakPolarHBondContact ND2-CA 3.47Å; N19-S126 PolarHBondContact ND2-N 3.42Å; N19-S126 PolarHBondContact ND2-OG 2.72Å; A122-S126 VanDerWaalsContact O-CB 3.25Å; A122-S126 WeakPolarHBondContact O-CB 3.47Å; A122-S126 PolarHBondContact O-N 3.38Å; A122-S126 PolarHBondContact O-OG 3.49Å; N123-S126 PolarHBondContact O-N 2.85Å; L124-S126 VanDerWaalsContact C-N 3.3Å; L124-S126 PolarHBondContact O-N 2.8Å; S126-L129 PolarHBondContact O-N 3.37Å; S126-V130 WeakPolarHBondContact O-CG2 3.39Å; S126-V130 PolarHBondContact O-N 3.24Å
127Y82.5Confident78Confident19 Ų1933.9 Ų33.98%0.07519%0.191CC..Hα-helixtrans-62.6-46.8173.9174.6-94.3000111.8L62 L94 E97 F98 N123 L124 L129 V130 V131L62-Y127 HydrophobicContact CD1-CD1 4.16Å; L62-Y127 HydrophobicContact CD1-CE1 3.65Å; L62-Y127 HydrophobicContact CD2-CD1 4.5Å; L62-Y127 HydrophobicContact CD2-CE1 3.98Å; L62-Y127 HydrophobicContact CG-CE1 4.49Å; L94-Y127 HydrophobicContact CD1-CE1 4.16Å; L94-Y127 HydrophobicContact CD2-CE1 3.76Å; L94-Y127 HydrophobicContact CG-CE1 4.41Å; E97-Y127 PolarHBondContact OE2-OH 2.93Å; F98-Y127 HydrophobicContact CB-CD2 4.18Å; F98-Y127 AromaticContact CD2-CD2 3.75Å; F98-Y127 HydrophobicContact CD2-CD2 3.75Å; F98-Y127 HydrophobicContact CD2-CE2 4.31Å; F98-Y127 HydrophobicContact CE2-CD2 4.36Å; F98-Y127 HydrophobicContact CG-CD2 4.02Å; N123-Y127 PolarHBondContact O-N 2.82Å; L124-Y127 PolarHBondContact O-N 3.41Å; Y127-L129 VanDerWaalsContact C-N 3.3Å; Y127-L129 PolarHBondContact O-N 2.95Å; Y127-V130 WeakPolarHBondContact O-CB 3.43Å; Y127-V130 PolarHBondContact O-N 2.88Å; Y127-V130 VanDerWaalsContact O-N 3.08Å; Y127-V131 HydrophobicContact CD1-CG2 4.28Å; Y127-V131 HydrophobicContact CD2-CG2 4.32Å; Y127-V131 HydrophobicContact CE1-CG2 3.77Å; Y127-V131 HydrophobicContact CE2-CG2 3.84Å; Y127-V131 WeakPolarHBondContact O-CG2 3.37Å; Y127-V131 PolarHBondContact O-N 3.15Å
128V84.8Confident76.2Confident0 Ų038.4 Ų38.40%021%0.21CC..Hα-helixtrans-58.2-43.5175.91750000111L23 L58 T61 L62 L124 V130 V131 S132L23-V128 HydrophobicContact CD1-CB 4.37Å; L23-V128 HydrophobicContact CD1-CG1 3.94Å; L23-V128 HydrophobicContact CD2-CG1 4.32Å; L58-V128 HydrophobicContact CB-CG2 4.21Å; L58-V128 HydrophobicContact CD2-CB 4.28Å; L58-V128 HydrophobicContact CD2-CG1 4.35Å; L58-V128 HydrophobicContact CD2-CG2 4.32Å; T61-V128 HydrophobicContact CG2-CG1 3.93Å; L62-V128 HydrophobicContact CB-CG1 4.44Å; L62-V128 HydrophobicContact CB-CG2 4.05Å; L62-V128 HydrophobicContact CD1-CG2 4.3Å; L124-V128 HydrophobicContact CD1-CG2 4.39Å; L124-V128 HydrophobicContact CG-CG2 4.48Å; L124-V128 VanDerWaalsContact O-CG2 3.32Å; L124-V128 WeakPolarHBondContact O-CG2 3.35Å; L124-V128 PolarHBondContact O-N 2.85Å; V128-V130 VanDerWaalsContact C-N 3.28Å; V128-V130 PolarHBondContact O-N 3.07Å; V128-V131 PolarHBondContact O-N 3.11Å; V128-S132 VanDerWaalsContact O-CB 3.26Å; V128-S132 WeakPolarHBondContact O-CB 3.41Å; V128-S132 PolarHBondContact O-N 3.23Å; V128-S132 PolarHBondContact O-OG 3.15Å; V128-S132 VanDerWaalsContact O-OG 3.11Å
129L80.8Confident74.5Confident10 Ų1039.4 Ų39.45%0.05222%0.216CC..Hα-helixtrans-65.3-27.6176.8-176.568.5000113.9N19 I22 L23 S125 S126 Y127 N133N19-L129 HydrophobicContact CB-CD2 4.49Å; I22-L129 HydrophobicContact CB-CD1 3.99Å; I22-L129 HydrophobicContact CD1-CD2 3.97Å; I22-L129 HydrophobicContact CG2-CD1 3.46Å; I22-L129 VanDerWaalsContact CG2-CD1 3.46Å; L23-L129 HydrophobicContact CD2-CB 4.31Å; L23-L129 HydrophobicContact CD2-CD1 3.78Å; L23-L129 HydrophobicContact CG-CD1 4.1Å; S125-L129 VanDerWaalsContact O-CB 3.25Å; S125-L129 WeakPolarHBondContact O-CB 3.43Å; S125-L129 PolarHBondContact O-N 3.5Å; S126-L129 PolarHBondContact O-N 3.37Å; Y127-L129 VanDerWaalsContact C-N 3.3Å; Y127-L129 PolarHBondContact O-N 2.95Å; L129-N133 VanDerWaalsContact CD1-ND2 3.27Å; L129-N133 WeakPolarHBondContact CD1-ND2 3.43Å; L129-N133 WeakPolarHBondContact O-CB 3.45Å; L129-N133 PolarHBondContact O-ND2 3.38Å
130V77.4Confident73.1Confident23 Ų2340.7 Ų40.714%0.13922%0.224CC..Hα-helixtrans-75.2-46.3173.6165.10000110.6S126 Y127 V128 M135 N139S126-V130 WeakPolarHBondContact O-CG2 3.39Å; S126-V130 PolarHBondContact O-N 3.24Å; Y127-V130 WeakPolarHBondContact O-CB 3.43Å; Y127-V130 PolarHBondContact O-N 2.88Å; Y127-V130 VanDerWaalsContact O-N 3.08Å; V128-V130 VanDerWaalsContact C-N 3.28Å; V128-V130 PolarHBondContact O-N 3.07Å; V130-M135 HydrophobicContact CB-CB 4.49Å; V130-M135 HydrophobicContact CG1-CB 4.05Å; V130-M135 WeakPolarHBondContact O-CB 3.44Å; V130-M135 PolarHBondContact O-N 2.68Å; V130-N139 HydrophobicContact CG1-CB 4.2Å; V130-N139 VanDerWaalsContact CG1-ND2 3.29Å; V130-N139 WeakPolarHBondContact CG1-ND2 3.37Å; V130-N139 VanDerWaalsContact CG2-ND2 3.27Å; V130-N139 WeakPolarHBondContact CG2-ND2 3.45Å
131V77.5Confident71.3Confident29 Ų2946.3 Ų46.318%0.17625%0.25CC..Hα-helixtrans-71.3-43.6-177.5174.70000112.1L62 Y127 V128 N133 D134 I136L62-V131 HydrophobicContact CD1-CB 3.71Å; L62-V131 HydrophobicContact CD1-CG1 3.61Å; L62-V131 HydrophobicContact CD1-CG2 4.07Å; Y127-V131 HydrophobicContact CD1-CG2 4.28Å; Y127-V131 HydrophobicContact CD2-CG2 4.32Å; Y127-V131 HydrophobicContact CE1-CG2 3.77Å; Y127-V131 HydrophobicContact CE2-CG2 3.84Å; Y127-V131 WeakPolarHBondContact O-CG2 3.37Å; Y127-V131 PolarHBondContact O-N 3.15Å; V128-V131 PolarHBondContact O-N 3.11Å; V131-N133 PolarHBondContact O-N 3.07Å; V131-N133 VanDerWaalsContact O-N 3.12Å; V131-D134 PolarHBondContact O-N 3.03Å; V131-I136 HydrophobicContact CB-CD1 4.45Å; V131-I136 HydrophobicContact CG1-CD1 4.24Å; V131-I136 HydrophobicContact CG2-CD1 4.02Å; V131-I136 HydrophobicContact CG2-CG1 4.12Å
132S74.1Confident69.4Low47 Ų4749.1 Ų49.133%0.32926%0.264SS..THydrogen-bonded Turntrans-67.5-13.1-17772.80000114.3L23 V128L23-S132 WeakPolarHBondContact CD2-OG 3.35Å; V128-S132 VanDerWaalsContact O-CB 3.26Å; V128-S132 WeakPolarHBondContact O-CB 3.41Å; V128-S132 PolarHBondContact O-N 3.23Å; V128-S132 PolarHBondContact O-OG 3.15Å; V128-S132 VanDerWaalsContact O-OG 3.11Å
133N68.6Low67.7Low44 Ų4452.6 Ų52.624%0.23529%0.285CS..THydrogen-bonded Turntrans-115.916.4-178.4-65.2-29.3000111.9L129 V131 M135 M171L129-N133 VanDerWaalsContact CD1-ND2 3.27Å; L129-N133 WeakPolarHBondContact CD1-ND2 3.43Å; L129-N133 WeakPolarHBondContact O-CB 3.45Å; L129-N133 PolarHBondContact O-ND2 3.38Å; V131-N133 PolarHBondContact O-N 3.07Å; V131-N133 VanDerWaalsContact O-N 3.12Å; N133-M135 HydrophobicContact CB-CG 4.01Å; N133-M135 PolarHBondContact O-N 3.44Å; N133-M171 HydrophobicContact CB-CE 3.77Å; N133-M171 HydrophobicContact CB-SD 4.37Å
134D62.3Low66.1Low141 Ų14157 Ų5775%0.75431%0.305SS*.THydrogen-bonded Turntrans55.219.3-177.9-64.1-46.9000115.7V131 I136V131-D134 PolarHBondContact O-N 3.03Å; D134-I136 PolarHBondContact O-N 3.49Å
135M56.3Low64.3Low57 Ų5763.2 Ų63.228%0.28134%0.338SS..THydrogen-bonded Turntrans-76.213.3-179.4-63.6-75.8167.600113.5V130 N133 F138 N139 M171V130-M135 HydrophobicContact CB-CB 4.49Å; V130-M135 HydrophobicContact CG1-CB 4.05Å; V130-M135 WeakPolarHBondContact O-CB 3.44Å; V130-M135 PolarHBondContact O-N 2.68Å; N133-M135 HydrophobicContact CB-CG 4.01Å; N133-M135 PolarHBondContact O-N 3.44Å; M135-F138 PolarHBondContact O-N 3.27Å; M135-F138 HydrophobicContact SD-CB 4.47Å; M135-N139 PolarHBondContact O-N 2.89Å; M135-N139 PolarHBondContact O-ND2 3.33Å; M135-M171 HydrophobicContact CE-CE 3.52Å
136I57.5Low62.2Low88 Ų8866.4 Ų66.445%0.45136%0.355SS..Hα-helixtrans-62.8-44178.6-58.1179.4000110.1V131 D134 F138 N139 K140V131-I136 HydrophobicContact CB-CD1 4.45Å; V131-I136 HydrophobicContact CG1-CD1 4.24Å; V131-I136 HydrophobicContact CG2-CD1 4.02Å; V131-I136 HydrophobicContact CG2-CG1 4.12Å; D134-I136 PolarHBondContact O-N 3.49Å; I136-F138 VanDerWaalsContact C-N 3.33Å; I136-F138 PolarHBondContact O-N 2.75Å; I136-N139 PolarHBondContact O-N 3.17Å; I136-K140 VanDerWaalsContact O-CB 3.29Å; I136-K140 WeakPolarHBondContact O-CB 3.3Å; I136-K140 PolarHBondContact O-N 3.45Å
137A52.9Low60.4Low76 Ų7669.9 Ų69.963%0.62838%0.377SS*.Hα-helixtrans-61.4-41.6178.300000112K140 Q141A137-K140 PolarHBondContact O-N 3.46Å; A137-Q141 PolarHBondContact O-N 2.93Å
138F49.7Very low58.7Low96 Ų9675.9 Ų75.942%0.42141%0.41SS..Hα-helixtrans-65.5-43.8176.7-177.3-104.2000112.3M135 I136 Q141 I142M135-F138 PolarHBondContact O-N 3.27Å; M135-F138 HydrophobicContact SD-CB 4.47Å; I136-F138 VanDerWaalsContact C-N 3.33Å; I136-F138 PolarHBondContact O-N 2.75Å; F138-Q141 PolarHBondContact O-N 3.4Å; F138-I142 HydrophobicContact CD1-CD1 3.91Å; F138-I142 HydrophobicContact CE1-CD1 3.51Å; F138-I142 HydrophobicContact CZ-CD1 3.93Å; F138-I142 WeakPolarHBondContact O-CG1 3.38Å; F138-I142 PolarHBondContact O-N 2.82Å; F138-I142 VanDerWaalsContact O-N 3.16Å
139N51Low56.6Low21 Ų2178.1 Ų78.111%0.11243%0.425CS..Hα-helixtrans-67.7-38.1174.6-91.5-86.3000112.7V130 M135 I136 Q141 I142 V143V130-N139 HydrophobicContact CG1-CB 4.2Å; V130-N139 VanDerWaalsContact CG1-ND2 3.29Å; V130-N139 WeakPolarHBondContact CG1-ND2 3.37Å; V130-N139 VanDerWaalsContact CG2-ND2 3.27Å; V130-N139 WeakPolarHBondContact CG2-ND2 3.45Å; M135-N139 PolarHBondContact O-N 2.89Å; M135-N139 PolarHBondContact O-ND2 3.33Å; I136-N139 PolarHBondContact O-N 3.17Å; N139-Q141 VanDerWaalsContact C-N 3.3Å; N139-Q141 PolarHBondContact O-N 3.42Å; N139-I142 PolarHBondContact O-N 3.18Å; N139-I142 VanDerWaalsContact O-N 3.13Å; N139-V143 WeakPolarHBondContact O-CG2 3Å; N139-V143 PolarHBondContact O-N 2.88Å
140K54.5Low54.5Low121 Ų12184 Ų8453%0.52645%0.452SS..Hα-helixtrans-58.5-45.1175-179176.6171.5-1790110.6I136 A137 I142 V143 E144I136-K140 VanDerWaalsContact O-CB 3.29Å; I136-K140 WeakPolarHBondContact O-CB 3.3Å; I136-K140 PolarHBondContact O-N 3.45Å; A137-K140 PolarHBondContact O-N 3.46Å; K140-I142 VanDerWaalsContact C-N 3.31Å; K140-I142 PolarHBondContact O-N 3.29Å; K140-V143 PolarHBondContact O-N 3.12Å; K140-E144 WeakPolarHBondContact CE-OE1 3.35Å; K140-E144 WeakPolarHBondContact CE-OE2 3.26Å; K140-E144 HydrophobicContact CG-CG 4.19Å; K140-E144 IonicContact NZ-OE1 3.49Å; K140-E144 PolarHBondContact NZ-OE1 3.36Å; K140-E144 WeakPolarHBondContact O-CB 3.22Å; K140-E144 WeakPolarHBondContact O-CG 3.31Å; K140-E144 PolarHBondContact O-N 3.03Å
141Q49Very low52.6Low119 Ų11988.8 Ų88.856%0.55647%0.468SS*.Hα-helixtrans-59.8-39.3174.8-168.3178.422.200112.5A137 F138 N139 N145A137-Q141 PolarHBondContact O-N 2.93Å; F138-Q141 PolarHBondContact O-N 3.4Å; N139-Q141 VanDerWaalsContact C-N 3.3Å; N139-Q141 PolarHBondContact O-N 3.42Å; Q141-N145 WeakPolarHBondContact O-CB 3.46Å; Q141-N145 PolarHBondContact O-N 2.95Å; Q141-N145 PolarHBondContact O-ND2 2.72Å
142I49.2Very low50.7Low60 Ų6092 Ų9231%0.30848%0.482SS..Hα-helixtrans-66.7-44.3175.8-67.4168000111.5F138 N139 K140 N145 D146F138-I142 HydrophobicContact CD1-CD1 3.91Å; F138-I142 HydrophobicContact CE1-CD1 3.51Å; F138-I142 HydrophobicContact CZ-CD1 3.93Å; F138-I142 WeakPolarHBondContact O-CG1 3.38Å; F138-I142 PolarHBondContact O-N 2.82Å; F138-I142 VanDerWaalsContact O-N 3.16Å; N139-I142 PolarHBondContact O-N 3.18Å; N139-I142 VanDerWaalsContact O-N 3.13Å; K140-I142 VanDerWaalsContact C-N 3.31Å; K140-I142 PolarHBondContact O-N 3.29Å; I142-N145 PolarHBondContact O-N 3.36Å; I142-D146 PolarHBondContact O-N 2.83Å
143V49.3Very low48.8Very low75 Ų7593.8 Ų93.846%0.45549%0.494SS..Hα-helixtrans-72.5-35.9-177.9174.10000112.3N139 K140 N145 D146N139-V143 WeakPolarHBondContact O-CG2 3Å; N139-V143 PolarHBondContact O-N 2.88Å; K140-V143 PolarHBondContact O-N 3.12Å; V143-N145 VanDerWaalsContact C-N 3.27Å; V143-N145 PolarHBondContact O-N 2.83Å; V143-D146 CarbonylContact O-C 3.25Å; V143-D146 VanDerWaalsContact O-C 3.25Å; V143-D146 PolarHBondContact O-N 3.01Å
144E51.7Low47.3Very low128 Ų12896.5 Ų96.560%0.59851%0.513SS*.Hα-helixtrans-67.9-27.9174.3-74.2-179.915200112.2K140K140-E144 WeakPolarHBondContact CE-OE1 3.35Å; K140-E144 WeakPolarHBondContact CE-OE2 3.26Å; K140-E144 HydrophobicContact CG-CG 4.19Å; K140-E144 IonicContact NZ-OE1 3.49Å; K140-E144 PolarHBondContact NZ-OE1 3.36Å; K140-E144 WeakPolarHBondContact O-CB 3.22Å; K140-E144 WeakPolarHBondContact O-CG 3.31Å; K140-E144 PolarHBondContact O-N 3.03Å
145N49.6Very low46.1Very low132 Ų13297.2 Ų97.271%0.70652%0.516SS*.Hα-helixtrans-77.4-22.4175.8-74.8-27.8000113.9Q141 I142 V143Q141-N145 WeakPolarHBondContact O-CB 3.46Å; Q141-N145 PolarHBondContact O-N 2.95Å; Q141-N145 PolarHBondContact O-ND2 2.72Å; I142-N145 PolarHBondContact O-N 3.36Å; V143-N145 VanDerWaalsContact C-N 3.27Å; V143-N145 PolarHBondContact O-N 2.83Å
146D43.6Very low45.6Very low67 Ų6796.9 Ų96.936%0.35852%0.519SS..  trans-151.997.7173.3-1777000111.7I142 V143 N148 C149I142-D146 PolarHBondContact O-N 2.83Å; V143-D146 CarbonylContact O-C 3.25Å; V143-D146 VanDerWaalsContact O-C 3.25Å; V143-D146 PolarHBondContact O-N 3.01Å; D146-N148 PolarHBondContact O-N 3.45Å; D146-N148 WeakPolarHBondContact OD1-CA 3.48Å; D146-N148 PolarHBondContact OD1-N 2.95Å; D146-C149 HydrophobicContact CB-CB 4.02Å; D146-C149 VanDerWaalsContact O-CB 3.29Å; D146-C149 WeakPolarHBondContact O-CB 3.38Å; D146-C149 PolarHBondContact O-N 3.29Å; D146-C149 PolarHBondContact OD1-N 3.44Å; D146-C149 WeakPolarHBondContact OD2-CB 3.34Å; D146-C149 PolarHBondContact OD2-SG 2.94Å
147P46.9Very low44.8Very low115 Ų11595.1 Ų95.175%0.74751%0.51SS*.THydrogen-bonded Turntrans-72-17.6176.729.4-35.1000113.2C149P147-C149 VanDerWaalsContact C-N 3.31Å
148N45.6Very low44.7Very low144 Ų14493.1 Ų93.177%0.7750%0.497SS*.THydrogen-bonded Turntrans-96.619.5176.5-77.8-11.6000111.9D146 E150D146-N148 PolarHBondContact O-N 3.45Å; D146-N148 WeakPolarHBondContact OD1-CA 3.48Å; D146-N148 PolarHBondContact OD1-N 2.95Å; N148-E150 PolarHBondContact O-N 2.86Å
149C41.4Very low44.8Very low47 Ų4790.8 Ų90.832%0.31849%0.493SS..  trans-69.575.2174.9-132.70000111.3D146 P147 W151D146-C149 HydrophobicContact CB-CB 4.02Å; D146-C149 VanDerWaalsContact O-CB 3.29Å; D146-C149 WeakPolarHBondContact O-CB 3.38Å; D146-C149 PolarHBondContact O-N 3.29Å; D146-C149 PolarHBondContact OD1-N 3.44Å; D146-C149 WeakPolarHBondContact OD2-CB 3.34Å; D146-C149 PolarHBondContact OD2-SG 2.94Å; P147-C149 VanDerWaalsContact C-N 3.31Å; C149-W151 PolarHBondContact O-N 3.38Å
150E37.1Very low44.8Very low134 Ų13492.3 Ų92.363%0.62650%0.503SS*.  trans-47124144-66.5-168.6168.500107.4N148 M152N148-E150 PolarHBondContact O-N 2.86Å; E150-M152 PolarHBondContact O-N 3.27Å
151W37.1Very low44.7Very low124 Ų12492.1 Ų92.147%0.4750%0.504SS..THydrogen-bonded Turntrans-72.133.6-171.7-8766.8000113.1F98 C149F98-W151 HydrophobicContact CZ-CZ2 4.37Å; C149-W151 PolarHBondContact O-N 3.38Å
152M36.7Very low45.2Very low96 Ų9694 Ų9447%0.47351%0.506SS..THydrogen-bonded Turntrans-148.416.6-163.6-77.8-61-69.600114.1R11 E150 V154R11-M152 PolarHBondContact NH1-SD 3.49Å; R11-M152 PolarHBondContact NH2-SD 2.94Å; R11-M152 VanDerWaalsContact NH2-SD 3.43Å; E150-M152 PolarHBondContact O-N 3.27Å; M152-V154 VanDerWaalsContact C-N 3.25Å; M152-V154 HydrophobicContact CE-CG2 4.34Å; M152-V154 WeakPolarHBondContact O-CG2 3.39Å; M152-V154 PolarHBondContact O-N 2.72Å
153S34.8Very low45.6Very low84 Ų8494.6 Ų94.659%0.58751%0.51SS*.  trans-68.691.8157.9-165.90000108.5N155 S156S153-N155 PolarHBondContact O-N 3.3Å; S153-S156 PolarHBondContact O-N 3.26Å; S153-S156 VanDerWaalsContact O-N 3.12Å; S153-S156 PolarHBondContact O-OG 3.47Å
154V36.2Very low46.1Very low102 Ų10294 Ų9462%0.61850%0.503SS*.THydrogen-bonded Turntrans-57.7-20.7-153.2-179.90000114.7M152M152-V154 VanDerWaalsContact C-N 3.25Å; M152-V154 HydrophobicContact CE-CG2 4.34Å; M152-V154 WeakPolarHBondContact O-CG2 3.39Å; M152-V154 PolarHBondContact O-N 2.72Å
155N38.4Very low46.9Very low156 Ų15694.7 Ų94.783%0.83450%0.504SS*.THydrogen-bonded Turntrans-78.8-21.3-177.6-64.6-24.4000114.4S153S153-N155 PolarHBondContact O-N 3.3Å
156S45.7Very low47.6Very low49 Ų4993.8 Ų93.834%0.34350%0.496SS..SBendtrans-86.8-16.8-18067.90000114.2S153 G158 S159 V160S153-S156 PolarHBondContact O-N 3.26Å; S153-S156 VanDerWaalsContact O-N 3.12Å; S153-S156 PolarHBondContact O-OG 3.47Å; S156-G158 PolarHBondContact O-N 3Å; S156-G158 VanDerWaalsContact O-N 3.16Å; S156-S159 PolarHBondContact O-N 3.19Å; S156-S159 PolarHBondContact O-OG 3.2Å; S156-V160 WeakPolarHBondContact O-CG2 3.35Å; S156-V160 PolarHBondContact O-N 3Å
157I40.8Very low48.6Very low51 Ų5193 Ų9326%0.26250%0.495SS..Hα-helixtrans-57.8-33.4177.3-103.868.1000111.4Q161I157-Q161 WeakPolarHBondContact O-CB 3.15Å; I157-Q161 PolarHBondContact O-N 2.91Å
158G50.1Low49.4Very low34 Ų3488.2 Ų88.235%0.35146%0.464SS..Hα-helixtrans-69.3-35.2-179.700000114S156 R162S156-G158 PolarHBondContact O-N 3Å; S156-G158 VanDerWaalsContact O-N 3.16Å; G158-R162 VanDerWaalsContact O-CB 3.26Å; G158-R162 WeakPolarHBondContact O-CB 3.36Å; G158-R162 PolarHBondContact O-N 3.41Å; G158-R162 PolarHBondContact O-NH1 3.4Å; G158-R162 VanDerWaalsContact O-NH1 3.13Å
159S53Low50.6Low47 Ų4784.4 Ų84.433%0.32945%0.448SS..Hα-helixtrans-73.6-58.1169.443.90000109.8S156 Q161 R162 D163S156-S159 PolarHBondContact O-N 3.19Å; S156-S159 PolarHBondContact O-OG 3.2Å; S159-Q161 VanDerWaalsContact C-N 3.27Å; S159-Q161 PolarHBondContact O-N 3.16Å; S159-Q161 VanDerWaalsContact O-N 3.09Å; S159-R162 CarbonylContact O-C 3.5Å; S159-R162 WeakPolarHBondContact O-CA 3.16Å; S159-R162 WeakPolarHBondContact O-CB 3.3Å; S159-R162 PolarHBondContact O-N 3.37Å; S159-D163 VanDerWaalsContact C-OD2 3.22Å; S159-D163 PolarHBondContact O-N 3.08Å; S159-D163 VanDerWaalsContact O-OD2 3.1Å
160V49.4Very low51.8Low54 Ų5487.1 Ų87.133%0.32746%0.456SS..Hα-helixtrans-54.4-39.8-176.8177.80000112.7S156 L164S156-V160 WeakPolarHBondContact O-CG2 3.35Å; S156-V160 PolarHBondContact O-N 3Å; V160-L164 WeakPolarHBondContact O-CB 3.38Å; V160-L164 PolarHBondContact O-N 3.42Å
161Q52.1Low53Low117 Ų11783.3 Ų83.355%0.54744%0.439SS..Hα-helixtrans-69.3-35.3175.1-176.9177.4-9.800112.9I157 S159 K165I157-Q161 WeakPolarHBondContact O-CB 3.15Å; I157-Q161 PolarHBondContact O-N 2.91Å; S159-Q161 VanDerWaalsContact C-N 3.27Å; S159-Q161 PolarHBondContact O-N 3.16Å; S159-Q161 VanDerWaalsContact O-N 3.09Å; Q161-K165 WeakPolarHBondContact O-CB 3.28Å; Q161-K165 PolarHBondContact O-N 3.15Å
162R60.3Low54.8Low157 Ų15781.5 Ų81.559%0.59244%0.437SS*.Hα-helixtrans-71.2-43.8176.1-173.1-174.4-57101.62.1110.8G158 S159 K165 H166G158-R162 VanDerWaalsContact O-CB 3.26Å; G158-R162 WeakPolarHBondContact O-CB 3.36Å; G158-R162 PolarHBondContact O-N 3.41Å; G158-R162 PolarHBondContact O-NH1 3.4Å; G158-R162 VanDerWaalsContact O-NH1 3.13Å; S159-R162 CarbonylContact O-C 3.5Å; S159-R162 WeakPolarHBondContact O-CA 3.16Å; S159-R162 WeakPolarHBondContact O-CB 3.3Å; S159-R162 PolarHBondContact O-N 3.37Å; R162-K165 CarbonylContact O-C 3.54Å; R162-K165 WeakPolarHBondContact O-CB 3.23Å; R162-K165 PolarHBondContact O-N 3.03Å; R162-H166 WeakPolarHBondContact O-CB 3.41Å; R162-H166 PolarHBondContact O-N 2.91Å
163D57.9Low56.5Low73 Ų7380 Ų8039%0.3944%0.436SS..Hα-helixtrans-66.8-49.2-179.9-53.3-24.2000109.3S159 K165 H166 S167S159-D163 VanDerWaalsContact C-OD2 3.22Å; S159-D163 PolarHBondContact O-N 3.08Å; S159-D163 VanDerWaalsContact O-OD2 3.1Å; D163-K165 VanDerWaalsContact C-N 3.29Å; D163-K165 PolarHBondContact O-N 3.09Å; D163-H166 CarbonylContact O-C 3.58Å; D163-H166 WeakPolarHBondContact O-CA 3.49Å; D163-H166 WeakPolarHBondContact O-CB 3.12Å; D163-H166 PolarHBondContact O-N 2.94Å; D163-S167 PolarHBondContact O-N 3.36Å; D163-S167 PolarHBondContact O-OG 2.8Å
164L59.1Low58.3Low62 Ų6282.2 Ų82.233%0.32544%0.438SS..Hα-helixtrans-62.2-34.4172.9-166124.5000112.1V160 L168V160-L164 WeakPolarHBondContact O-CB 3.38Å; V160-L164 PolarHBondContact O-N 3.42Å; L164-L168 HydrophobicContact CD2-CD1 3.66Å; L164-L168 HydrophobicContact CG-CD1 4.13Å; L164-L168 WeakPolarHBondContact O-CB 3.45Å; L164-L168 VanDerWaalsContact O-CD1 3.29Å; L164-L168 WeakPolarHBondContact O-CD1 3.29Å; L164-L168 WeakPolarHBondContact O-CG 3.41Å; L164-L168 PolarHBondContact O-N 3.46Å; L164-L168 VanDerWaalsContact O-N 3.12Å
165K69.2Low60.1Low143 Ų14380.8 Ų80.862%0.62243%0.427SS*.Hα-helixtrans-66.9-36.9170.7-179.1-177.1176.8-173.80111.7Q161 R162 D163 S169Q161-K165 WeakPolarHBondContact O-CB 3.28Å; Q161-K165 PolarHBondContact O-N 3.15Å; R162-K165 CarbonylContact O-C 3.54Å; R162-K165 WeakPolarHBondContact O-CB 3.23Å; R162-K165 PolarHBondContact O-N 3.03Å; D163-K165 VanDerWaalsContact C-N 3.29Å; D163-K165 PolarHBondContact O-N 3.09Å; K165-S169 WeakPolarHBondContact O-CB 3.35Å; K165-S169 PolarHBondContact O-N 3.02Å
166H64.7Low61.8Low113 Ų11377.4 Ų77.452%0.52341%0.408SS..Hα-helixtrans-73-49.7-178.4-160.947.9000110.9R162 D163 L168 S169 H170R162-H166 WeakPolarHBondContact O-CB 3.41Å; R162-H166 PolarHBondContact O-N 2.91Å; D163-H166 CarbonylContact O-C 3.58Å; D163-H166 WeakPolarHBondContact O-CA 3.49Å; D163-H166 WeakPolarHBondContact O-CB 3.12Å; D163-H166 PolarHBondContact O-N 2.94Å; H166-L168 PolarHBondContact O-N 3.2Å; H166-S169 WeakPolarHBondContact O-CA 3.45Å; H166-S169 WeakPolarHBondContact O-CB 3.45Å; H166-S169 PolarHBondContact O-N 3.41Å; H166-H170 AromaticContact CD2-CD2 3.82Å; H166-H170 AromaticContact CD2-NE2 3.52Å; H166-H170 AromaticContact CE1-CD2 3.92Å; H166-H170 AromaticContact CE1-CE1 3.97Å; H166-H170 AromaticContact CE1-NE2 3.17Å; H166-H170 PolarHBondContact CE1-NE2 3.1Å; H166-H170 AromaticContact CG-CD2 3.97Å; H166-H170 AromaticContact CG-NE2 3.92Å; H166-H170 AromaticContact ND1-NE2 3.72Å; H166-H170 AromaticContact NE2-CD2 3.79Å; H166-H170 AromaticContact NE2-NE2 3.01Å; H166-H170 PolarHBondContact NE2-NE2 2.95Å; H166-H170 PolarHBondContact O-CD2 2.66Å; H166-H170 VanDerWaalsContact O-CD2 3.23Å; H166-H170 PolarHBondContact O-N 3.03Å
167S63.4Low63.2Low50 Ų5080.8 Ų80.835%0.3542%0.422SS..Hα-helixtrans-59.1-43.4175.2-53.10000112.1D163 S169 H170 M171D163-S167 PolarHBondContact O-N 3.36Å; D163-S167 PolarHBondContact O-OG 2.8Å; S167-S169 VanDerWaalsContact C-N 3.35Å; S167-S169 PolarHBondContact O-N 3.5Å; S167-H170 PolarHBondContact O-N 3.47Å; S167-M171 WeakPolarHBondContact O-CB 2.99Å; S167-M171 PolarHBondContact O-N 2.89Å
168L63.4Low65Low16 Ų1684.7 Ų84.78%0.08444%0.439CS..Hα-helixtrans-66.4-34.7173.5-71.9171.4000112.8I22 L164 H166 M171 I172I22-L168 HydrophobicContact CD1-CD1 3.54Å; I22-L168 HydrophobicContact CG1-CD1 4.42Å; I22-L168 HydrophobicContact CG2-CD2 3.87Å; L164-L168 HydrophobicContact CD2-CD1 3.66Å; L164-L168 HydrophobicContact CG-CD1 4.13Å; L164-L168 WeakPolarHBondContact O-CB 3.45Å; L164-L168 VanDerWaalsContact O-CD1 3.29Å; L164-L168 WeakPolarHBondContact O-CD1 3.29Å; L164-L168 WeakPolarHBondContact O-CG 3.41Å; L164-L168 PolarHBondContact O-N 3.46Å; L164-L168 VanDerWaalsContact O-N 3.12Å; H166-L168 PolarHBondContact O-N 3.2Å; L168-M171 HydrophobicContact CD2-SD 4.31Å; L168-I172 WeakPolarHBondContact O-CB 3.35Å; L168-I172 WeakPolarHBondContact O-CD1 3.29Å; L168-I172 VanDerWaalsContact O-CG1 3.23Å; L168-I172 WeakPolarHBondContact O-CG1 3.42Å; L168-I172 PolarHBondContact O-N 3.18Å
169S71.4Confident66.5Low64 Ų6488.2 Ų88.245%0.44844%0.441SS..Hα-helixtrans-68.3-38.3176.1-169.10000111.8K165 H166 S167 S173K165-S169 WeakPolarHBondContact O-CB 3.35Å; K165-S169 PolarHBondContact O-N 3.02Å; H166-S169 WeakPolarHBondContact O-CA 3.45Å; H166-S169 WeakPolarHBondContact O-CB 3.45Å; H166-S169 PolarHBondContact O-N 3.41Å; S167-S169 VanDerWaalsContact C-N 3.35Å; S167-S169 PolarHBondContact O-N 3.5Å; S169-S173 WeakPolarHBondContact O-CB 3.37Å; S169-S173 PolarHBondContact O-N 3.25Å; S169-S173 VanDerWaalsContact O-N 3.09Å; S169-S173 PolarHBondContact O-OG 3.17Å
170H67.2Low67.7Low104 Ų10490.9 Ų90.948%0.48145%0.449SS..Hα-helixtrans-65.1-51.4172.9-76.7-62.2000110.6H166 S167 I172 S173 E174H166-H170 AromaticContact CD2-CD2 3.82Å; H166-H170 AromaticContact CD2-NE2 3.52Å; H166-H170 AromaticContact CE1-CD2 3.92Å; H166-H170 AromaticContact CE1-CE1 3.97Å; H166-H170 AromaticContact CE1-NE2 3.17Å; H166-H170 PolarHBondContact CE1-NE2 3.1Å; H166-H170 AromaticContact CG-CD2 3.97Å; H166-H170 AromaticContact CG-NE2 3.92Å; H166-H170 AromaticContact ND1-NE2 3.72Å; H166-H170 AromaticContact NE2-CD2 3.79Å; H166-H170 AromaticContact NE2-NE2 3.01Å; H166-H170 PolarHBondContact NE2-NE2 2.95Å; H166-H170 PolarHBondContact O-CD2 2.66Å; H166-H170 VanDerWaalsContact O-CD2 3.23Å; H166-H170 PolarHBondContact O-N 3.03Å; S167-H170 PolarHBondContact O-N 3.47Å; H170-I172 PolarHBondContact O-N 2.88Å; H170-S173 CarbonylContact O-C 3.6Å; H170-S173 WeakPolarHBondContact O-CA 3.5Å; H170-S173 WeakPolarHBondContact O-CB 3.38Å; H170-S173 PolarHBondContact O-N 3.07Å; H170-E174 WeakPolarHBondContact O-CB 3.32Å; H170-E174 PolarHBondContact O-N 3.46Å
171M61Low69.2Low53 Ų5394.3 Ų94.326%0.26147%0.465SS..Hα-helixtrans-57.3-44178.6-177.3-168.4-69.100113.3N133 M135 S167 L168 S173 E174 D175N133-M171 HydrophobicContact CB-CE 3.77Å; N133-M171 HydrophobicContact CB-SD 4.37Å; M135-M171 HydrophobicContact CE-CE 3.52Å; S167-M171 WeakPolarHBondContact O-CB 2.99Å; S167-M171 PolarHBondContact O-N 2.89Å; L168-M171 HydrophobicContact CD2-SD 4.31Å; M171-S173 VanDerWaalsContact C-N 3.3Å; M171-S173 PolarHBondContact O-N 2.86Å; M171-E174 PolarHBondContact O-N 3.31Å; M171-D175 WeakPolarHBondContact O-CB 3.29Å; M171-D175 PolarHBondContact O-N 2.87Å
172I74.9Confident70.9Confident86 Ų8693.6 Ų93.644%0.44146%0.461SS..Hα-helixtrans-65.2-36.4174.4-69.2166.2000110.8L168 H170 L176L168-I172 WeakPolarHBondContact O-CB 3.35Å; L168-I172 WeakPolarHBondContact O-CD1 3.29Å; L168-I172 VanDerWaalsContact O-CG1 3.23Å; L168-I172 WeakPolarHBondContact O-CG1 3.42Å; L168-I172 PolarHBondContact O-N 3.18Å; H170-I172 PolarHBondContact O-N 2.88Å; I172-L176 HydrophobicContact CG2-CD1 3.92Å; I172-L176 VanDerWaalsContact O-CB 3.28Å; I172-L176 WeakPolarHBondContact O-CB 3.45Å; I172-L176 WeakPolarHBondContact O-CD1 3.28Å; I172-L176 WeakPolarHBondContact O-CG 3.28Å; I172-L176 PolarHBondContact O-N 3.47Å
173S73.8Confident72.2Confident64 Ų6490.9 Ų90.945%0.44845%0.454SS..Hα-helixtrans-71.6-32.9176.9-55.10000112.1S169 H170 M171 L177S169-S173 WeakPolarHBondContact O-CB 3.37Å; S169-S173 PolarHBondContact O-N 3.25Å; S169-S173 VanDerWaalsContact O-N 3.09Å; S169-S173 PolarHBondContact O-OG 3.17Å; H170-S173 CarbonylContact O-C 3.6Å; H170-S173 WeakPolarHBondContact O-CA 3.5Å; H170-S173 WeakPolarHBondContact O-CB 3.38Å; H170-S173 PolarHBondContact O-N 3.07Å; M171-S173 VanDerWaalsContact C-N 3.3Å; M171-S173 PolarHBondContact O-N 2.86Å; S173-L177 WeakPolarHBondContact O-CB 3.45Å; S173-L177 PolarHBondContact O-N 3.4Å
174E72Confident73.5Confident132 Ų13289.4 Ų89.462%0.61746%0.455SS*.Hα-helixtrans-72.4-46.9177-174.2174.3-167.100111.4H170 M171 L176 L177 Q178H170-E174 WeakPolarHBondContact O-CB 3.32Å; H170-E174 PolarHBondContact O-N 3.46Å; M171-E174 PolarHBondContact O-N 3.31Å; E174-L176 VanDerWaalsContact C-N 3.34Å; E174-L176 PolarHBondContact O-N 3.39Å; E174-L177 PolarHBondContact O-N 3.03Å; E174-Q178 VanDerWaalsContact O-CB 3.3Å; E174-Q178 WeakPolarHBondContact O-CB 3.32Å; E174-Q178 PolarHBondContact O-N 2.94Å
175D73.2Confident74.8Confident72 Ų7289 Ų8939%0.38546%0.458SS..Hα-helixtrans-61-40.7172.2168.476.7000111.9M171 R179M171-D175 WeakPolarHBondContact O-CB 3.29Å; M171-D175 PolarHBondContact O-N 2.87Å; D175-R179 VanDerWaalsContact O-CB 3.23Å; D175-R179 WeakPolarHBondContact O-CB 3.3Å; D175-R179 PolarHBondContact O-N 3.38Å; D175-R179 IonicContact OD1-CZ 3.72Å; D175-R179 IonicContact OD1-NH1 3.19Å; D175-R179 IonicContact OD1-NH2 2.65Å; D175-R179 PolarHBondContact OD1-NH2 3.01Å; D175-R179 IonicContact OD2-CZ 2.66Å; D175-R179 IonicContact OD2-NH1 3.73Å; D175-R179 PolarHBondContact OD2-NH1 3.46Å; D175-R179 IonicContact OD2-NH2 3.24Å; D175-R179 PolarHBondContact OD2-NH2 2.91Å
176L74.9Confident75.9Confident85 Ų8587.3 Ų87.345%0.44545%0.452SS..Hα-helixtrans-64.2-44.4172.5-74.8169.5000111.8I172 E174 R179 E180I172-L176 HydrophobicContact CG2-CD1 3.92Å; I172-L176 VanDerWaalsContact O-CB 3.28Å; I172-L176 WeakPolarHBondContact O-CB 3.45Å; I172-L176 WeakPolarHBondContact O-CD1 3.28Å; I172-L176 WeakPolarHBondContact O-CG 3.28Å; I172-L176 PolarHBondContact O-N 3.47Å; E174-L176 VanDerWaalsContact C-N 3.34Å; E174-L176 PolarHBondContact O-N 3.39Å; L176-R179 PolarHBondContact O-N 2.79Å; L176-E180 WeakPolarHBondContact O-CG 3.34Å; L176-E180 PolarHBondContact O-N 3.21Å
177L74.8Confident77Confident120 Ų12084.9 Ų84.963%0.62845%0.451SS*.Hα-helixtrans-64.2-44.4178.417963.2000111.6S173 E174 R179 E180 L181S173-L177 WeakPolarHBondContact O-CB 3.45Å; S173-L177 PolarHBondContact O-N 3.4Å; E174-L177 PolarHBondContact O-N 3.03Å; L177-R179 VanDerWaalsContact C-N 3.34Å; L177-R179 PolarHBondContact O-N 3.43Å; L177-E180 PolarHBondContact O-N 3.32Å; L177-L181 VanDerWaalsContact O-CB 3.23Å; L177-L181 WeakPolarHBondContact O-CB 3.45Å; L177-L181 PolarHBondContact O-N 3.45Å
178Q79.8Confident78.3Confident133 Ų13387.3 Ų87.362%0.62146%0.46SS*.Hα-helixtrans-63.1-40.5176.7-174.5178.3-0.700111E174 L181 Q182E174-Q178 VanDerWaalsContact O-CB 3.3Å; E174-Q178 WeakPolarHBondContact O-CB 3.32Å; E174-Q178 PolarHBondContact O-N 2.94Å; Q178-L181 PolarHBondContact O-N 3.49Å; Q178-Q182 VanDerWaalsContact O-CB 3.29Å; Q178-Q182 WeakPolarHBondContact O-CB 3.42Å; Q178-Q182 PolarHBondContact O-N 3.42Å
179R80.3Confident79.6Confident108 Ų10890.8 Ų90.841%0.40848%0.479SS..Hα-helixtrans-65.9-41.4175.7-173.2179.6-64106.68112.7D175 L176 L177 K183D175-R179 VanDerWaalsContact O-CB 3.23Å; D175-R179 WeakPolarHBondContact O-CB 3.3Å; D175-R179 PolarHBondContact O-N 3.38Å; D175-R179 IonicContact OD1-CZ 3.72Å; D175-R179 IonicContact OD1-NH1 3.19Å; D175-R179 IonicContact OD1-NH2 2.65Å; D175-R179 PolarHBondContact OD1-NH2 3.01Å; D175-R179 IonicContact OD2-CZ 2.66Å; D175-R179 IonicContact OD2-NH1 3.73Å; D175-R179 PolarHBondContact OD2-NH1 3.46Å; D175-R179 IonicContact OD2-NH2 3.24Å; D175-R179 PolarHBondContact OD2-NH2 2.91Å; L176-R179 PolarHBondContact O-N 2.79Å; L177-R179 VanDerWaalsContact C-N 3.34Å; L177-R179 PolarHBondContact O-N 3.43Å; R179-K183 WeakPolarHBondContact O-CG 3.47Å; R179-K183 PolarHBondContact O-N 3.39Å; R179-K183 VanDerWaalsContact O-N 3.1Å
180E79.6Confident80.6Confident103 Ų10392.5 Ų92.548%0.48149%0.486SS..Hα-helixtrans-72.4-33.8174.9-64.4-50129.600112.3L176 L177 K183 G184L176-E180 WeakPolarHBondContact O-CG 3.34Å; L176-E180 PolarHBondContact O-N 3.21Å; L177-E180 PolarHBondContact O-N 3.32Å; E180-K183 PolarHBondContact O-N 3.24Å; E180-K183 IonicContact OE1-NZ 2.83Å; E180-K183 PolarHBondContact OE1-NZ 3.04Å; E180-K183 WeakPolarHBondContact OE2-CD 3.23Å; E180-K183 IonicContact OE2-NZ 2.64Å; E180-K183 PolarHBondContact OE2-NZ 2.88Å; E180-G184 PolarHBondContact O-N 2.95Å
181L80.7Confident81.7Confident126 Ų12694 Ų9466%0.6649%0.493SS*.Hα-helixtrans-64.4-42.6173.2-172.870000111.3L177 Q178 G184 S185L177-L181 VanDerWaalsContact O-CB 3.23Å; L177-L181 WeakPolarHBondContact O-CB 3.45Å; L177-L181 PolarHBondContact O-N 3.45Å; Q178-L181 PolarHBondContact O-N 3.49Å; L181-G184 CarbonylContact O-C 3.45Å; L181-G184 WeakPolarHBondContact O-CA 3.49Å; L181-G184 PolarHBondContact O-N 3.39Å; L181-G184 VanDerWaalsContact O-N 3.15Å; L181-S185 PolarHBondContact O-N 2.94Å; L181-S185 PolarHBondContact O-OG 3.18Å
182Q87.9Confident83.1Confident102 Ų10295.2 Ų95.248%0.47750%0.504SS..Hα-helixtrans-64.4-42.9176.4-178.360.133.200112Q178 G184 S185 E186Q178-Q182 VanDerWaalsContact O-CB 3.29Å; Q178-Q182 WeakPolarHBondContact O-CB 3.42Å; Q178-Q182 PolarHBondContact O-N 3.42Å; Q182-G184 VanDerWaalsContact C-N 3.26Å; Q182-G184 PolarHBondContact O-N 3.13Å; Q182-S185 WeakPolarHBondContact CA-OG 3.21Å; Q182-S185 PolarHBondContact O-N 2.9Å; Q182-S185 PolarHBondContact O-OG 3.37Å; Q182-E186 WeakPolarHBondContact CG-OE1 3.38Å; Q182-E186 PolarHBondContact NE2-OE1 2.92Å; Q182-E186 WeakPolarHBondContact O-CB 3.5Å; Q182-E186 WeakPolarHBondContact O-CG 3.41Å; Q182-E186 PolarHBondContact O-N 2.96Å
183K87.3Confident83.8Confident100 Ų10095.8 Ų95.844%0.43551%0.505SS..Hα-helixtrans-60.9-38.2170.7-71168.1-179.6175.80112R179 E180 A187R179-K183 WeakPolarHBondContact O-CG 3.47Å; R179-K183 PolarHBondContact O-N 3.39Å; R179-K183 VanDerWaalsContact O-N 3.1Å; E180-K183 PolarHBondContact O-N 3.24Å; E180-K183 IonicContact OE1-NZ 2.83Å; E180-K183 PolarHBondContact OE1-NZ 3.04Å; E180-K183 WeakPolarHBondContact OE2-CD 3.23Å; E180-K183 IonicContact OE2-NZ 2.64Å; E180-K183 PolarHBondContact OE2-NZ 2.88Å; K183-A187 VanDerWaalsContact O-CB 3.29Å; K183-A187 WeakPolarHBondContact O-CB 3.23Å; K183-A187 PolarHBondContact O-N 3.33Å
184G85Confident84.6Confident41 Ų4198 Ų9842%0.42351%0.508SS..Hα-helixtrans-64-42.3176.300000112.6E180 L181 Q182 L188E180-G184 PolarHBondContact O-N 2.95Å; L181-G184 CarbonylContact O-C 3.45Å; L181-G184 WeakPolarHBondContact O-CA 3.49Å; L181-G184 PolarHBondContact O-N 3.39Å; L181-G184 VanDerWaalsContact O-N 3.15Å; Q182-G184 VanDerWaalsContact C-N 3.26Å; Q182-G184 PolarHBondContact O-N 3.13Å; G184-L188 VanDerWaalsContact O-CB 3.27Å; G184-L188 WeakPolarHBondContact O-CB 3.29Å; G184-L188 PolarHBondContact O-N 2.88Å
185S86.6Confident85.3Confident54 Ų5493.9 Ų93.938%0.37850%0.496SS..Hα-helixtrans-70.1-38.9176.259.70000112.4L181 Q182 L188 D189L181-S185 PolarHBondContact O-N 2.94Å; L181-S185 PolarHBondContact O-OG 3.18Å; Q182-S185 WeakPolarHBondContact CA-OG 3.21Å; Q182-S185 PolarHBondContact O-N 2.9Å; Q182-S185 PolarHBondContact O-OG 3.37Å; S185-L188 PolarHBondContact O-N 3.31Å; S185-D189 WeakPolarHBondContact O-CB 3.3Å; S185-D189 PolarHBondContact O-N 2.97Å
186E91.3Very high86.1Confident108 Ų10893 Ų9351%0.50550%0.496SS..Hα-helixtrans-63.8-43.3173.7-73.6167.1-164.300112Q182 D189 V190Q182-E186 WeakPolarHBondContact CG-OE1 3.38Å; Q182-E186 PolarHBondContact NE2-OE1 2.92Å; Q182-E186 WeakPolarHBondContact O-CB 3.5Å; Q182-E186 WeakPolarHBondContact O-CG 3.41Å; Q182-E186 PolarHBondContact O-N 2.96Å; E186-D189 PolarHBondContact O-N 3.32Å; E186-V190 WeakPolarHBondContact O-CG2 3.45Å; E186-V190 PolarHBondContact O-N 3.5Å; E186-V190 VanDerWaalsContact O-N 3.07Å
187A89.3Confident86.7Confident61 Ų6194 Ų9450%0.50450%0.498SS..Hα-helixtrans-65-39.917500000112.3K183 V190 E191K183-A187 VanDerWaalsContact O-CB 3.29Å; K183-A187 WeakPolarHBondContact O-CB 3.23Å; K183-A187 PolarHBondContact O-N 3.33Å; A187-V190 PolarHBondContact O-N 3.44Å; A187-E191 PolarHBondContact O-N 2.99Å
188L90.2Very high87.3Confident101 Ų10191.6 Ų91.653%0.52948%0.484SS..Hα-helixtrans-67.6-41.7177-178.263.8000112G184 S185 E191 V192G184-L188 VanDerWaalsContact O-CB 3.27Å; G184-L188 WeakPolarHBondContact O-CB 3.29Å; G184-L188 PolarHBondContact O-N 2.88Å; S185-L188 PolarHBondContact O-N 3.31Å; L188-E191 PolarHBondContact O-N 3.41Å; L188-V192 HydrophobicContact CD1-CG2 4.3Å; L188-V192 HydrophobicContact CG-CG2 4.41Å; L188-V192 WeakPolarHBondContact O-CB 3.43Å; L188-V192 VanDerWaalsContact O-CG2 3.28Å; L188-V192 WeakPolarHBondContact O-CG2 3.08Å; L188-V192 PolarHBondContact O-N 2.93Å
189D90.8Very high87.5Confident89 Ų8990.8 Ų90.848%0.47648%0.483SS..Hα-helixtrans-61.3-45.9175.1-175.954.2000110.4S185 E186 E191 V192 Q193S185-D189 WeakPolarHBondContact O-CB 3.3Å; S185-D189 PolarHBondContact O-N 2.97Å; E186-D189 PolarHBondContact O-N 3.32Å; D189-E191 VanDerWaalsContact C-N 3.32Å; D189-E191 PolarHBondContact O-N 2.99Å; D189-V192 PolarHBondContact O-N 2.88Å; D189-Q193 VanDerWaalsContact O-CG 3.3Å; D189-Q193 WeakPolarHBondContact O-CG 3.13Å; D189-Q193 PolarHBondContact O-N 3.48Å; D189-Q193 PolarHBondContact OD1-NE2 2.91Å
190V91.7Very high87.7Confident101 Ų10190 Ų9061%0.61249%0.486SS*.Hα-helixtrans-58.4-41.1174.1170.90000112.4E186 A187 H194E186-V190 WeakPolarHBondContact O-CG2 3.45Å; E186-V190 PolarHBondContact O-N 3.5Å; E186-V190 VanDerWaalsContact O-N 3.07Å; A187-V190 PolarHBondContact O-N 3.44Å; V190-H194 VanDerWaalsContact O-CB 3.32Å; V190-H194 WeakPolarHBondContact O-CB 3.47Å; V190-H194 PolarHBondContact O-N 2.95Å
191E90.2Very high87.9Confident135 Ų13589.7 Ų89.763%0.63148%0.483SS*.Hα-helixtrans-68.5-38.8176.7-173.1168-157.800112.3A187 L188 D189 H194 A195A187-E191 PolarHBondContact O-N 2.99Å; L188-E191 PolarHBondContact O-N 3.41Å; D189-E191 VanDerWaalsContact C-N 3.32Å; D189-E191 PolarHBondContact O-N 2.99Å; E191-H194 PolarHBondContact O-N 3.42Å; E191-A195 WeakPolarHBondContact O-CB 3.41Å; E191-A195 PolarHBondContact O-N 3.46Å
192V90Very high87.8Confident79 Ų7989.7 Ų89.748%0.47948%0.478SS..Hα-helixtrans-66.5-43.7175.2168.40000111.4L188 D189 A195 S196L188-V192 HydrophobicContact CD1-CG2 4.3Å; L188-V192 HydrophobicContact CG-CG2 4.41Å; L188-V192 WeakPolarHBondContact O-CB 3.43Å; L188-V192 VanDerWaalsContact O-CG2 3.28Å; L188-V192 WeakPolarHBondContact O-CG2 3.08Å; L188-V192 PolarHBondContact O-N 2.93Å; D189-V192 PolarHBondContact O-N 2.88Å; V192-A195 PolarHBondContact O-N 2.87Å; V192-S196 VanDerWaalsContact O-CB 3.31Å; V192-S196 WeakPolarHBondContact O-CB 3.41Å; V192-S196 PolarHBondContact O-N 2.66Å
193Q89.6Confident87.4Confident98 Ų9891.5 Ų91.546%0.45848%0.484SS..Hα-helixtrans-62.1-45.6174.1-64.3-54.7-27.300110.8D189 A195 S196 E197D189-Q193 VanDerWaalsContact O-CG 3.3Å; D189-Q193 WeakPolarHBondContact O-CG 3.13Å; D189-Q193 PolarHBondContact O-N 3.48Å; D189-Q193 PolarHBondContact OD1-NE2 2.91Å; Q193-A195 PolarHBondContact O-N 3.28Å; Q193-S196 WeakPolarHBondContact O-CB 3.36Å; Q193-S196 PolarHBondContact O-N 2.85Å; Q193-E197 WeakPolarHBondContact O-CG 3.42Å; Q193-E197 PolarHBondContact O-N 2.76Å
194H91.5Very high87Confident110 Ų11092.8 Ų92.851%0.50949%0.492SS..Hα-helixtrans-60.7-43.3176.1179.8-83.4000112.3V190 E191 E197 E198V190-H194 VanDerWaalsContact O-CB 3.32Å; V190-H194 WeakPolarHBondContact O-CB 3.47Å; V190-H194 PolarHBondContact O-N 2.95Å; E191-H194 PolarHBondContact O-N 3.42Å; H194-E197 PolarHBondContact O-N 3.18Å; H194-E198 WeakPolarHBondContact O-CG 3.43Å; H194-E198 PolarHBondContact O-N 2.65Å
195A87.8Confident86.7Confident46 Ų4696.1 Ų96.138%0.3850%0.499SS..Hα-helixtrans-64.4-39.4175.700000112.3E191 V192 Q193 E198 I199E191-A195 WeakPolarHBondContact O-CB 3.41Å; E191-A195 PolarHBondContact O-N 3.46Å; V192-A195 PolarHBondContact O-N 2.87Å; Q193-A195 PolarHBondContact O-N 3.28Å; A195-E198 PolarHBondContact O-N 3.18Å; A195-I199 VanDerWaalsContact O-CG1 3.28Å; A195-I199 WeakPolarHBondContact O-CG1 3.48Å; A195-I199 PolarHBondContact O-N 3.49Å
196S87.9Confident86.2Confident54 Ų5496.2 Ų96.238%0.37850%0.495SS..Hα-helixtrans-62.2-44.3174.1-173.70000111.9V192 Q193 I199 L200V192-S196 VanDerWaalsContact O-CB 3.31Å; V192-S196 WeakPolarHBondContact O-CB 3.41Å; V192-S196 PolarHBondContact O-N 2.66Å; Q193-S196 WeakPolarHBondContact O-CB 3.36Å; Q193-S196 PolarHBondContact O-N 2.85Å; S196-I199 PolarHBondContact O-N 3.35Å; S196-L200 WeakPolarHBondContact O-CB 3.32Å; S196-L200 PolarHBondContact O-N 3.04Å
197E88.6Confident85.3Confident104 Ų10495 Ų9549%0.48649%0.494SS..Hα-helixtrans-61.6-43.4174-76.1-175.1-169.700112.6Q193 H194 L200 K201Q193-E197 WeakPolarHBondContact O-CG 3.42Å; Q193-E197 PolarHBondContact O-N 2.76Å; H194-E197 PolarHBondContact O-N 3.18Å; E197-L200 WeakPolarHBondContact O-CB 3.25Å; E197-L200 PolarHBondContact O-N 3.24Å; E197-K201 VanDerWaalsContact O-CG 3.3Å; E197-K201 WeakPolarHBondContact O-CG 3.46Å; E197-K201 PolarHBondContact O-N 2.65Å; E197-K201 IonicContact OE2-NZ 2.68Å
198E87.2Confident84.7Confident70 Ų7096.5 Ų96.533%0.32750%0.501SS..Hα-helixtrans-63.1-43.8176-70.7-66.3102.300111.1H194 A195 L200 K201 F202H194-E198 WeakPolarHBondContact O-CG 3.43Å; H194-E198 PolarHBondContact O-N 2.65Å; A195-E198 PolarHBondContact O-N 3.18Å; E198-L200 VanDerWaalsContact C-N 3.3Å; E198-L200 PolarHBondContact O-N 2.85Å; E198-K201 PolarHBondContact O-N 3.37Å; E198-K201 VanDerWaalsContact OE1-CD 3.31Å; E198-K201 WeakPolarHBondContact OE1-CD 3.39Å; E198-K201 WeakPolarHBondContact OE1-CE 3.47Å; E198-K201 IonicContact OE1-NZ 2.72Å; E198-K201 PolarHBondContact OE1-NZ 3.45Å; E198-F202 WeakPolarHBondContact O-CD2 3.44Å; E198-F202 PolarHBondContact O-N 2.95Å
199I84.8Confident84Confident117 Ų11794.8 Ų94.860%0.649%0.493SS*.Hα-helixtrans-60.4-40.2174.5-69.6165.3000111.1A195 S196 F202 K203A195-I199 VanDerWaalsContact O-CG1 3.28Å; A195-I199 WeakPolarHBondContact O-CG1 3.48Å; A195-I199 PolarHBondContact O-N 3.49Å; S196-I199 PolarHBondContact O-N 3.35Å; I199-F202 PolarHBondContact O-N 2.76Å; I199-K203 WeakPolarHBondContact O-CB 3.49Å; I199-K203 PolarHBondContact O-N 2.85Å
200L83.2Confident83.1Confident91 Ų9194.2 Ų94.248%0.47650%0.496SS..Hα-helixtrans-64-41.6174.4-83.7162.3000112.4S196 E197 E198 K203 Q204S196-L200 WeakPolarHBondContact O-CB 3.32Å; S196-L200 PolarHBondContact O-N 3.04Å; E197-L200 WeakPolarHBondContact O-CB 3.25Å; E197-L200 PolarHBondContact O-N 3.24Å; E198-L200 VanDerWaalsContact C-N 3.3Å; E198-L200 PolarHBondContact O-N 2.85Å; L200-K203 PolarHBondContact O-N 3.1Å; L200-Q204 WeakPolarHBondContact O-CG 3.44Å; L200-Q204 PolarHBondContact O-N 3.07Å
201K84.6Confident82.1Confident97 Ų9795.3 Ų95.342%0.42250%0.498SS..Hα-helixtrans-63.9-44.6174.3-68.5165.2-153.5161.70111.4E197 E198 K203 Q204 L205E197-K201 VanDerWaalsContact O-CG 3.3Å; E197-K201 WeakPolarHBondContact O-CG 3.46Å; E197-K201 PolarHBondContact O-N 2.65Å; E197-K201 IonicContact OE2-NZ 2.68Å; E198-K201 PolarHBondContact O-N 3.37Å; E198-K201 VanDerWaalsContact OE1-CD 3.31Å; E198-K201 WeakPolarHBondContact OE1-CD 3.39Å; E198-K201 WeakPolarHBondContact OE1-CE 3.47Å; E198-K201 IonicContact OE1-NZ 2.72Å; E198-K201 PolarHBondContact OE1-NZ 3.45Å; K201-K203 VanDerWaalsContact C-N 3.34Å; K201-K203 PolarHBondContact O-N 3.24Å; K201-Q204 PolarHBondContact O-N 3.35Å; K201-L205 WeakPolarHBondContact O-CB 3.35Å; K201-L205 PolarHBondContact O-N 3.06Å
202F79Confident80.7Confident125 Ų12592.6 Ų92.655%0.54849%0.488SS..Hα-helixtrans-59.9-43.4174-84.8-68.4000111.7E198 I199 Q204 L205 I206E198-F202 WeakPolarHBondContact O-CD2 3.44Å; E198-F202 PolarHBondContact O-N 2.95Å; I199-F202 PolarHBondContact O-N 2.76Å; F202-Q204 PolarHBondContact O-N 2.88Å; F202-L205 PolarHBondContact O-N 2.76Å; F202-I206 WeakPolarHBondContact O-CD1 3.46Å; F202-I206 VanDerWaalsContact O-CG1 3.3Å; F202-I206 WeakPolarHBondContact O-CG1 3.48Å; F202-I206 PolarHBondContact O-N 2.95Å
203K78.1Confident79.1Confident141 Ų14193 Ų9361%0.61348%0.484SS*.Hα-helixtrans-61.5-42.8175.3-173.5177.8-179.4178.90112.1I199 L200 K201 I206 V207I199-K203 WeakPolarHBondContact O-CB 3.49Å; I199-K203 PolarHBondContact O-N 2.85Å; L200-K203 PolarHBondContact O-N 3.1Å; K201-K203 VanDerWaalsContact C-N 3.34Å; K201-K203 PolarHBondContact O-N 3.24Å; K203-I206 PolarHBondContact O-N 3.24Å; K203-V207 VanDerWaalsContact O-CG2 3.28Å; K203-V207 WeakPolarHBondContact O-CG2 3.45Å; K203-V207 PolarHBondContact O-N 3.38Å
204Q79.5Confident77.8Confident126 Ų12692.5 Ų92.559%0.58949%0.485SS*.Hα-helixtrans-65-39.1175.4-74.4176.61.700112.4L200 K201 F202 V207 S208L200-Q204 WeakPolarHBondContact O-CG 3.44Å; L200-Q204 PolarHBondContact O-N 3.07Å; K201-Q204 PolarHBondContact O-N 3.35Å; F202-Q204 PolarHBondContact O-N 2.88Å; Q204-V207 PolarHBondContact O-N 3.18Å; Q204-S208 WeakPolarHBondContact O-CB 3.4Å; Q204-S208 PolarHBondContact O-N 2.88Å; Q204-S208 PolarHBondContact O-OG 3.47Å
205L79.6Confident76.3Confident111 Ų11192 Ų9258%0.58149%0.486SS*.Hα-helixtrans-62.9-46.7176.1-173.366.3000111.1K201 F202 V207 S208 D209K201-L205 WeakPolarHBondContact O-CB 3.35Å; K201-L205 PolarHBondContact O-N 3.06Å; F202-L205 PolarHBondContact O-N 2.76Å; L205-V207 VanDerWaalsContact C-N 3.3Å; L205-V207 PolarHBondContact O-N 3.46Å; L205-S208 PolarHBondContact O-N 3.36Å; L205-S208 VanDerWaalsContact O-N 3.13Å; L205-D209 PolarHBondContact O-N 2.84Å
206I74.6Confident74.5Confident56 Ų5693.6 Ų93.629%0.28749%0.487SS..Hα-helixtrans-62.6-35.2176.5-66.1160.7000111.8F202 K203 L212 M216F202-I206 WeakPolarHBondContact O-CD1 3.46Å; F202-I206 VanDerWaalsContact O-CG1 3.3Å; F202-I206 WeakPolarHBondContact O-CG1 3.48Å; F202-I206 PolarHBondContact O-N 2.95Å; K203-I206 PolarHBondContact O-N 3.24Å; I206-L212 HydrophobicContact CG2-CB 4.46Å; I206-M216 HydrophobicContact CG2-CE 3.64Å; I206-M216 HydrophobicContact CG2-CG 4.32Å
207V74.1Confident72.9Confident82 Ų8296.8 Ų96.850%0.49750%0.5SS..Hα-helixtrans-75.4-25.4176.1169.90000112.6K203 Q204 L205K203-V207 VanDerWaalsContact O-CG2 3.28Å; K203-V207 WeakPolarHBondContact O-CG2 3.45Å; K203-V207 PolarHBondContact O-N 3.38Å; Q204-V207 PolarHBondContact O-N 3.18Å; L205-V207 VanDerWaalsContact C-N 3.3Å; L205-V207 PolarHBondContact O-N 3.46Å
208S75.3Confident71.1Confident93 Ų9397.8 Ų97.865%0.6551%0.508SS*.Hα-helixtrans-85.3-24.5179.9-57.10000113.1Q204 L205Q204-S208 WeakPolarHBondContact O-CB 3.4Å; Q204-S208 PolarHBondContact O-N 2.88Å; Q204-S208 PolarHBondContact O-OG 3.47Å; L205-S208 PolarHBondContact O-N 3.36Å; L205-S208 VanDerWaalsContact O-N 3.13Å
209D76Confident69.3Low65 Ų6598 Ų9835%0.34852%0.515SS..  trans-81.5117.5178.2-174.5-48.4000110.2L205 D211 L212 Q213L205-D209 PolarHBondContact O-N 2.84Å; D209-D211 VanDerWaalsContact C-N 3.34Å; D209-D211 PolarHBondContact O-N 3.37Å; D209-D211 PolarHBondContact OD1-N 3.41Å; D209-L212 HydrophobicContact CB-CB 3.97Å; D209-L212 HydrophobicContact CB-CD1 4.02Å; D209-L212 PolarHBondContact OD1-N 3.29Å; D209-Q213 VanDerWaalsContact O-CB 3.26Å; D209-Q213 WeakPolarHBondContact O-CB 3.21Å; D209-Q213 PolarHBondContact O-N 2.9Å
210S71Confident67.5Low78 Ų7899.4 Ų99.455%0.54552%0.518SS..Hα-helixtrans-70.1-30-174.2-50.50000113.2N214S210-N214 WeakPolarHBondContact O-CB 3.29Å; S210-N214 VanDerWaalsContact O-CG 3.23Å; S210-N214 PolarHBondContact O-N 3.41Å; S210-N214 PolarHBondContact O-ND2 2.93Å
211D71.1Confident65.7Low123 Ų12398.3 Ų98.366%0.65851%0.512SS*.Hα-helixtrans-77.4-45.3-178.9-65.1-29.8000109.1D209 Q213 N214 D215D209-D211 VanDerWaalsContact C-N 3.34Å; D209-D211 PolarHBondContact O-N 3.37Å; D209-D211 PolarHBondContact OD1-N 3.41Å; D211-Q213 VanDerWaalsContact C-N 3.33Å; D211-Q213 PolarHBondContact O-N 3.24Å; D211-N214 PolarHBondContact O-N 2.9Å; D211-D215 PolarHBondContact O-N 3.01Å
212L60.9Low63.6Low79 Ų79102.5 Ų102.541%0.41453%0.531SS..Hα-helixtrans-62.3-34.9170.4-88.4160.9000113.1I206 D209 D215 M216I206-L212 HydrophobicContact CG2-CB 4.46Å; D209-L212 HydrophobicContact CB-CB 3.97Å; D209-L212 HydrophobicContact CB-CD1 4.02Å; D209-L212 PolarHBondContact OD1-N 3.29Å; L212-D215 PolarHBondContact O-N 3.3Å; L212-M216 VanDerWaalsContact O-CB 3.28Å; L212-M216 WeakPolarHBondContact O-CB 3.11Å; L212-M216 WeakPolarHBondContact O-CG 3.28Å; L212-M216 PolarHBondContact O-N 3.38Å
213Q57.4Low62.1Low86 Ų8698.6 Ų98.640%0.40252%0.519SS..Hα-helixtrans-70.5-35.9175.7-168.4175.637.700112.1D209 D211 M216 N217D209-Q213 VanDerWaalsContact O-CB 3.26Å; D209-Q213 WeakPolarHBondContact O-CB 3.21Å; D209-Q213 PolarHBondContact O-N 2.9Å; D211-Q213 VanDerWaalsContact C-N 3.33Å; D211-Q213 PolarHBondContact O-N 3.24Å; Q213-M216 WeakPolarHBondContact O-CB 3.33Å; Q213-M216 PolarHBondContact O-N 3.38Å; Q213-N217 WeakPolarHBondContact O-CB 3.4Å; Q213-N217 PolarHBondContact O-N 2.93Å; Q213-N217 PolarHBondContact O-ND2 3.43Å
214N61.4Low60.4Low89 Ų8995.8 Ų95.848%0.47651%0.51SS..Hα-helixtrans-67.5-41.5172.7-75.5-38.9000111.3S210 D211 N217 N218S210-N214 WeakPolarHBondContact O-CB 3.29Å; S210-N214 VanDerWaalsContact O-CG 3.23Å; S210-N214 PolarHBondContact O-N 3.41Å; S210-N214 PolarHBondContact O-ND2 2.93Å; D211-N214 PolarHBondContact O-N 2.9Å; N214-N217 PolarHBondContact O-N 2.74Å; N214-N218 VanDerWaalsContact O-CB 3.31Å; N214-N218 WeakPolarHBondContact O-CB 3.34Å; N214-N218 VanDerWaalsContact O-CG 3.24Å; N214-N218 PolarHBondContact O-N 3.21Å; N214-N218 PolarHBondContact O-ND2 3.23Å; N214-N218 VanDerWaalsContact O-ND2 3.11Å
215D59.7Low58.7Low100 Ų10095.4 Ų95.454%0.53552%0.52SS..Hα-helixtrans-67-33.6172.9-81.7-8.3000112.6D211 L212 T219D211-D215 PolarHBondContact O-N 3.01Å; L212-D215 PolarHBondContact O-N 3.3Å; D215-T219 WeakPolarHBondContact O-CA 3.33Å; D215-T219 WeakPolarHBondContact O-CB 3.31Å; D215-T219 PolarHBondContact O-N 2.91Å; D215-T219 PolarHBondContact O-OG1 3.08Å
216M51Low57.2Low79 Ų7994.5 Ų94.539%0.38952%0.523SS..Hα-helixtrans-63.5-38.8170.6-97.1-99.2-167.200113.6I206 L212 Q213 L221I206-M216 HydrophobicContact CG2-CE 3.64Å; I206-M216 HydrophobicContact CG2-CG 4.32Å; L212-M216 VanDerWaalsContact O-CB 3.28Å; L212-M216 WeakPolarHBondContact O-CB 3.11Å; L212-M216 WeakPolarHBondContact O-CG 3.28Å; L212-M216 PolarHBondContact O-N 3.38Å; Q213-M216 WeakPolarHBondContact O-CB 3.33Å; Q213-M216 PolarHBondContact O-N 3.38Å; M216-L221 HydrophobicContact CB-CD1 4.42Å; M216-L221 HydrophobicContact CE-CD1 3.94Å; M216-L221 HydrophobicContact CG-CD1 3.62Å; M216-L221 HydrophobicContact SD-CB 4Å; M216-L221 HydrophobicContact SD-CD1 3.55Å; M216-L221 VanDerWaalsContact SD-CD1 3.55Å; M216-L221 HydrophobicContact SD-CG 4.38Å
217N53.4Low55.5Low121 Ų12195.2 Ų95.265%0.64753%0.528SS*.Hα-helixtrans-80-32.7179.8-74.7-28.8000111.8Q213 N214Q213-N217 WeakPolarHBondContact O-CB 3.4Å; Q213-N217 PolarHBondContact O-N 2.93Å; Q213-N217 PolarHBondContact O-ND2 3.43Å; N214-N217 PolarHBondContact O-N 2.74Å
218N52.5Low54.4Low125 Ų125101.5 Ų101.567%0.66855%0.548SS*.Hα-helixtrans-80.5-35.1176.8-72.1-33.2000112.9N214N214-N218 VanDerWaalsContact O-CB 3.31Å; N214-N218 WeakPolarHBondContact O-CB 3.34Å; N214-N218 VanDerWaalsContact O-CG 3.24Å; N214-N218 PolarHBondContact O-N 3.21Å; N214-N218 PolarHBondContact O-ND2 3.23Å; N214-N218 VanDerWaalsContact O-ND2 3.11Å
219T48.4Very low53.1Low75 Ų75102.1 Ų102.146%0.4655%0.548SS..THydrogen-bonded Turntrans-105.9116.1-177.8-44.70000108.6D215 L221D215-T219 WeakPolarHBondContact O-CA 3.33Å; D215-T219 WeakPolarHBondContact O-CB 3.31Å; D215-T219 PolarHBondContact O-N 2.91Å; D215-T219 PolarHBondContact O-OG1 3.08Å; T219-L221 VanDerWaalsContact C-N 3.26Å; T219-L221 PolarHBondContact O-N 2.87Å
220H46.2Very low51.9Low146 Ų146102.8 Ų102.868%0.67655%0.551SS**THydrogen-bonded Turntrans-56.176.8-178.7-76.1-107000113.4F222 S223 L224H220-F222 PolarHBondContact O-N 2.84Å; H220-S223 WeakPolarHBondContact CB-OG 3.29Å; H220-S223 WeakPolarHBondContact O-CA 3.29Å; H220-S223 PolarHBondContact O-N 3.48Å; H220-S223 PolarHBondContact O-OG 2.92Å; H220-L224 PolarHBondContact O-N 3.06Å; H220-L224 VanDerWaalsContact O-N 3.09Å
221L45.3Very low51Low68 Ų68106.9 Ų106.936%0.35656%0.561SS.*Hα-helixtrans-68.6-21.8177-99.1157.4000112.1M216 T219 S223 L224 C225M216-L221 HydrophobicContact CB-CD1 4.42Å; M216-L221 HydrophobicContact CE-CD1 3.94Å; M216-L221 HydrophobicContact CG-CD1 3.62Å; M216-L221 HydrophobicContact SD-CB 4Å; M216-L221 HydrophobicContact SD-CD1 3.55Å; M216-L221 VanDerWaalsContact SD-CD1 3.55Å; M216-L221 HydrophobicContact SD-CG 4.38Å; T219-L221 VanDerWaalsContact C-N 3.26Å; T219-L221 PolarHBondContact O-N 2.87Å; L221-S223 VanDerWaalsContact C-N 3.33Å; L221-L224 HydrophobicContact CD2-CB 3.97Å; L221-L224 HydrophobicContact CD2-CD1 3.61Å; L221-L224 HydrophobicContact CD2-CG 4.38Å; L221-L224 HydrophobicContact CG-CD1 3.87Å; L221-L224 WeakPolarHBondContact O-CB 3.44Å; L221-L224 PolarHBondContact O-N 3.24Å; L221-C225 PolarHBondContact O-N 2.84Å
222F42Very low50.5Low184 Ų184105.1 Ų105.181%0.80755%0.552SS**Hα-helixtrans-67.6-26.5164.6-86.7-80.4000113.9H220 S226H220-F222 PolarHBondContact O-N 2.84Å; F222-S226 VanDerWaalsContact O-CB 3.22Å; F222-S226 WeakPolarHBondContact O-CB 3.34Å; F222-S226 PolarHBondContact O-N 2.97Å; F222-S226 PolarHBondContact O-OG 2.97Å
223S46.5Very low50.9Low43 Ų43105.2 Ų105.230%0.30156%0.557SS.*Hα-helixtrans-77-34.5166.779.30000110.8H220 L221 C225 S226 D227H220-S223 WeakPolarHBondContact CB-OG 3.29Å; H220-S223 WeakPolarHBondContact O-CA 3.29Å; H220-S223 PolarHBondContact O-N 3.48Å; H220-S223 PolarHBondContact O-OG 2.92Å; L221-S223 VanDerWaalsContact C-N 3.33Å; S223-C225 VanDerWaalsContact C-N 3.25Å; S223-C225 PolarHBondContact O-N 3.34Å; S223-S226 PolarHBondContact O-N 3.36Å; S223-D227 WeakPolarHBondContact O-CA 3.42Å; S223-D227 WeakPolarHBondContact O-CB 3.2Å; S223-D227 PolarHBondContact O-N 2.96Å
224L42.4Very low51.8Low82 Ų82107.5 Ų107.543%0.42957%0.572SS.*Hα-helixtrans-57.1-33.2176.5-91.8145.4000114.8H220 L221 I230H220-L224 PolarHBondContact O-N 3.06Å; H220-L224 VanDerWaalsContact O-N 3.09Å; L221-L224 HydrophobicContact CD2-CB 3.97Å; L221-L224 HydrophobicContact CD2-CD1 3.61Å; L221-L224 HydrophobicContact CD2-CG 4.38Å; L221-L224 HydrophobicContact CG-CD1 3.87Å; L221-L224 WeakPolarHBondContact O-CB 3.44Å; L221-L224 PolarHBondContact O-N 3.24Å; L224-I230 HydrophobicContact CB-CD1 4.3Å; L224-I230 HydrophobicContact CD2-CD1 3.48Å; L224-I230 VanDerWaalsContact CD2-CD1 3.48Å; L224-I230 HydrophobicContact CD2-CG2 4.09Å; L224-I230 HydrophobicContact CG-CD1 3.61Å
225C44.2Very low52.4Low119 Ų119111.2 Ų111.280%0.80459%0.587SS**THydrogen-bonded Turntrans-91.7-12.2174.8-64.10000114.8L221 S223L221-C225 PolarHBondContact O-N 2.84Å; S223-C225 VanDerWaalsContact C-N 3.25Å; S223-C225 PolarHBondContact O-N 3.34Å
226S48.2Very low53Low91 Ų91110.5 Ų110.564%0.63658%0.582SS**THydrogen-bonded Turntrans-114.3-21.8-172.7-50.50000113.9F222 S223 K228F222-S226 VanDerWaalsContact O-CB 3.22Å; F222-S226 WeakPolarHBondContact O-CB 3.34Å; F222-S226 PolarHBondContact O-N 2.97Å; F222-S226 PolarHBondContact O-OG 2.97Å; S223-S226 PolarHBondContact O-N 3.36Å; S226-K228 PolarHBondContact O-N 3.17Å
227D38.7Very low54.2Low71 Ų71110.3 Ų110.338%0.3858%0.582SS.*  trans-90.5107.2-173.3-160.7-23.6000109.9S223 T229 I230S223-D227 WeakPolarHBondContact O-CA 3.42Å; S223-D227 WeakPolarHBondContact O-CB 3.2Å; S223-D227 PolarHBondContact O-N 2.96Å; D227-T229 PolarHBondContact O-N 3.01Å; D227-T229 WeakPolarHBondContact OD1-CB 3.31Å; D227-T229 WeakPolarHBondContact OD1-CG2 3.32Å; D227-T229 PolarHBondContact OD1-N 2.59Å; D227-T229 PolarHBondContact OD1-OG1 2.95Å; D227-T229 PolarHBondContact OD2-OG1 3.49Å; D227-I230 PolarHBondContact O-N 3.05Å
228K51.3Low55.4Low214 Ų214107.4 Ų107.493%0.9358%0.575SS**THydrogen-bonded Turntrans-654.2179.9-64.9179.3177.5176.90113.8S226S226-K228 PolarHBondContact O-N 3.17Å
229T47.2Very low56.6Low106 Ų106108.4 Ų108.465%0.6557%0.57SS**THydrogen-bonded Turntrans-98.8-12.1-17964.10000114.1D227 E231D227-T229 PolarHBondContact O-N 3.01Å; D227-T229 WeakPolarHBondContact OD1-CB 3.31Å; D227-T229 WeakPolarHBondContact OD1-CG2 3.32Å; D227-T229 PolarHBondContact OD1-N 2.59Å; D227-T229 PolarHBondContact OD1-OG1 2.95Å; D227-T229 PolarHBondContact OD2-OG1 3.49Å; T229-E231 PolarHBondContact O-N 2.92Å
230I51.1Low58Low79 Ų79109.7 Ų109.741%0.40557%0.571SS.*SBendtrans-82.4106.8177.2-55.1-171.6000108.8L224 D227 L232L224-I230 HydrophobicContact CB-CD1 4.3Å; L224-I230 HydrophobicContact CD2-CD1 3.48Å; L224-I230 VanDerWaalsContact CD2-CD1 3.48Å; L224-I230 HydrophobicContact CD2-CG2 4.09Å; L224-I230 HydrophobicContact CG-CD1 3.61Å; D227-I230 PolarHBondContact O-N 3.05Å; I230-L232 PolarHBondContact O-N 2.96Å
231E52.9Low59.7Low164 Ų164105.1 Ų105.177%0.76656%0.556SS**PPolyproline II helixtrans-55.7133.5173.6-66.3-178.5129.700109.6T229T229-E231 PolarHBondContact O-N 2.92Å
232L59.7Low61.7Low87 Ų87106.3 Ų106.346%0.45556%0.559SS.*PPolyproline II helixtrans-55.4147.1171-83.575000108.4I230 D234 I237I230-L232 PolarHBondContact O-N 2.96Å; L232-D234 PolarHBondContact O-N 3.37Å; L232-I237 HydrophobicContact CB-CD1 4.03Å; L232-I237 HydrophobicContact CB-CG1 3.71Å; L232-I237 WeakPolarHBondContact O-CD1 3.47Å
233P70.3Confident63.8Low81 Ų81100.9 Ų100.953%0.52654%0.538SS..PPolyproline II helixtrans-47.5131.8176.4-28.734.7000111.4E235 L236 I237P233-E235 PolarHBondContact O-N 3.38Å; P233-L236 HydrophobicContact CG-CD1 4.23Å; P233-L236 WeakPolarHBondContact O-CA 3.48Å; P233-L236 WeakPolarHBondContact O-CB 3.34Å; P233-L236 PolarHBondContact O-N 2.86Å; P233-I237 PolarHBondContact O-N 2.94Å; P233-I237 VanDerWaalsContact O-N 3.17Å
234D75.4Confident65.8Low134 Ų134103.2 Ų103.272%0.71755%0.551SS**Hα-helixtrans-48.8-34.8-175.3-78.4-42.6000112.6L232 I237 A238L232-D234 PolarHBondContact O-N 3.37Å; D234-I237 PolarHBondContact O-N 2.75Å; D234-A238 WeakPolarHBondContact O-CB 3.26Å; D234-A238 PolarHBondContact O-N 3.32Å
235E74.8Confident68Low167 Ų167105 Ų10578%0.7856%0.555SS**Hα-helixtrans-63.4-40.5177.1-60-179.9163.200113P233 Y239P233-E235 PolarHBondContact O-N 3.38Å; E235-Y239 VanDerWaalsContact O-CB 3.27Å; E235-Y239 WeakPolarHBondContact O-CB 3.34Å; E235-Y239 PolarHBondContact O-N 3.48Å
236L71.6Confident70.1Confident85 Ų85104.2 Ų104.245%0.44554%0.54SS..Hα-helixtrans-71.6-40.8175.4-86.7164.7000111.5P233 A238 Y239 Q240P233-L236 HydrophobicContact CG-CD1 4.23Å; P233-L236 WeakPolarHBondContact O-CA 3.48Å; P233-L236 WeakPolarHBondContact O-CB 3.34Å; P233-L236 PolarHBondContact O-N 2.86Å; L236-A238 VanDerWaalsContact C-N 3.35Å; L236-Y239 PolarHBondContact O-N 2.76Å; L236-Q240 WeakPolarHBondContact O-CB 3.28Å; L236-Q240 WeakPolarHBondContact O-CG 3.47Å; L236-Q240 PolarHBondContact O-N 3.09Å
237I76.6Confident71.9Confident75 Ų75104.5 Ų104.539%0.38554%0.537SS..Hα-helixtrans-63-44.1174.6-60.9-179.3000110L232 P233 D234 Q240 S241L232-I237 HydrophobicContact CB-CD1 4.03Å; L232-I237 HydrophobicContact CB-CG1 3.71Å; L232-I237 WeakPolarHBondContact O-CD1 3.47Å; P233-I237 PolarHBondContact O-N 2.94Å; P233-I237 VanDerWaalsContact O-N 3.17Å; D234-I237 PolarHBondContact O-N 2.75Å; I237-Q240 PolarHBondContact O-N 3.47Å; I237-S241 VanDerWaalsContact O-CB 3.24Å; I237-S241 WeakPolarHBondContact O-CB 3.13Å; I237-S241 PolarHBondContact O-N 2.9Å
238A78.4Confident74.3Confident59 Ų59104 Ų10449%0.48854%0.54SS..Hα-helixtrans-62.2-44175.900000112D234 L236 S241 Q242D234-A238 WeakPolarHBondContact O-CB 3.26Å; D234-A238 PolarHBondContact O-N 3.32Å; L236-A238 VanDerWaalsContact C-N 3.35Å; A238-S241 PolarHBondContact O-N 2.86Å; A238-Q242 WeakPolarHBondContact O-CB 3.08Å; A238-Q242 PolarHBondContact O-N 3.39Å
239Y76.9Confident76.2Confident147 Ų14797.1 Ų97.158%0.57652%0.515SS*.Hα-helixtrans-63.8-46.4177-178.6-114.5000112.5E235 L236 S241 Q242 L243E235-Y239 VanDerWaalsContact O-CB 3.27Å; E235-Y239 WeakPolarHBondContact O-CB 3.34Å; E235-Y239 PolarHBondContact O-N 3.48Å; L236-Y239 PolarHBondContact O-N 2.76Å; Y239-S241 VanDerWaalsContact C-N 3.35Å; Y239-S241 PolarHBondContact O-N 3.18Å; Y239-Q242 PolarHBondContact O-N 3.33Å; Y239-L243 HydrophobicContact CD1-CD1 3.87Å; Y239-L243 HydrophobicContact CD2-CD1 4.48Å; Y239-L243 HydrophobicContact CE1-CD1 3.39Å; Y239-L243 HydrophobicContact CE2-CD1 4.06Å; Y239-L243 HydrophobicContact CE2-CG 4.45Å; Y239-L243 HydrophobicContact CG-CD1 4.4Å; Y239-L243 VanDerWaalsContact CZ-CD1 3.49Å; Y239-L243 PolarHBondContact O-N 3.16Å
240Q77.6Confident78.1Confident101 Ų10196.5 Ų96.547%0.47251%0.508SS..Hα-helixtrans-63.2-39.6174.9-72.8179.2-3.400112L236 I237 T244L236-Q240 WeakPolarHBondContact O-CB 3.28Å; L236-Q240 WeakPolarHBondContact O-CG 3.47Å; L236-Q240 PolarHBondContact O-N 3.09Å; I237-Q240 PolarHBondContact O-N 3.47Å; Q240-T244 VanDerWaalsContact O-CB 3.3Å; Q240-T244 WeakPolarHBondContact O-CB 3.34Å; Q240-T244 PolarHBondContact O-N 3.09Å; Q240-T244 PolarHBondContact O-OG1 3.35Å
241S82.4Confident79.8Confident51 Ų51102.3 Ų102.336%0.35752%0.524SS..Hα-helixtrans-62.9-42174.2-168.60000111.7I237 A238 Y239 T244 K245I237-S241 VanDerWaalsContact O-CB 3.24Å; I237-S241 WeakPolarHBondContact O-CB 3.13Å; I237-S241 PolarHBondContact O-N 2.9Å; A238-S241 PolarHBondContact O-N 2.86Å; Y239-S241 VanDerWaalsContact C-N 3.35Å; Y239-S241 PolarHBondContact O-N 3.18Å; S241-T244 PolarHBondContact O-N 3.25Å; S241-K245 WeakPolarHBondContact O-CB 3.43Å; S241-K245 VanDerWaalsContact O-CG 3.29Å; S241-K245 WeakPolarHBondContact O-CG 3.27Å; S241-K245 PolarHBondContact O-N 2.59Å
242Q87.5Confident81.5Confident93 Ų93101 Ų10144%0.43552%0.518SS..Hα-helixtrans-65.5-49.4177.8-178.459.920.900111.8A238 Y239 T244 K245 E246A238-Q242 WeakPolarHBondContact O-CB 3.08Å; A238-Q242 PolarHBondContact O-N 3.39Å; Y239-Q242 PolarHBondContact O-N 3.33Å; Q242-T244 VanDerWaalsContact C-N 3.3Å; Q242-T244 PolarHBondContact O-N 3.25Å; Q242-K245 WeakPolarHBondContact O-CB 3.49Å; Q242-K245 PolarHBondContact O-N 3.49Å; Q242-K245 VanDerWaalsContact O-N 3.14Å; Q242-E246 PolarHBondContact NE2-OE1 2.9Å; Q242-E246 WeakPolarHBondContact O-CG 3.47Å; Q242-E246 PolarHBondContact O-N 3.03Å
243L86.3Confident82.9Confident70 Ų70102.4 Ų102.437%0.36652%0.523SS..Hα-helixtrans-55.8-44.4173.3-88.4162.1000112Y239 K245 E246 V247Y239-L243 HydrophobicContact CD1-CD1 3.87Å; Y239-L243 HydrophobicContact CD2-CD1 4.48Å; Y239-L243 HydrophobicContact CE1-CD1 3.39Å; Y239-L243 HydrophobicContact CE2-CD1 4.06Å; Y239-L243 HydrophobicContact CE2-CG 4.45Å; Y239-L243 HydrophobicContact CG-CD1 4.4Å; Y239-L243 VanDerWaalsContact CZ-CD1 3.49Å; Y239-L243 PolarHBondContact O-N 3.16Å; L243-K245 VanDerWaalsContact C-N 3.33Å; L243-K245 PolarHBondContact O-N 3.14Å; L243-E246 PolarHBondContact O-N 3.18Å; L243-V247 WeakPolarHBondContact O-CB 3.12Å; L243-V247 WeakPolarHBondContact O-CG2 3.36Å; L243-V247 PolarHBondContact O-N 2.96Å
244T87.2Confident83.4Confident92 Ų92105.4 Ų105.456%0.56453%0.527SS*.Hα-helixtrans-64-38.4178.4-57.40000111.6Q240 S241 Q242 S248Q240-T244 VanDerWaalsContact O-CB 3.3Å; Q240-T244 WeakPolarHBondContact O-CB 3.34Å; Q240-T244 PolarHBondContact O-N 3.09Å; Q240-T244 PolarHBondContact O-OG1 3.35Å; S241-T244 PolarHBondContact O-N 3.25Å; Q242-T244 VanDerWaalsContact C-N 3.3Å; Q242-T244 PolarHBondContact O-N 3.25Å; T244-S248 VanDerWaalsContact O-CB 3.31Å; T244-S248 WeakPolarHBondContact O-CB 3.36Å; T244-S248 PolarHBondContact O-N 2.96Å; T244-S248 PolarHBondContact O-OG 3.43Å
245K89Confident84Confident119 Ų119105 Ų10552%0.51752%0.52SS..Hα-helixtrans-65.7-41.9172.9-75.3168.9-175.9170.20112.2S241 Q242 L243 S248 T249S241-K245 WeakPolarHBondContact O-CB 3.43Å; S241-K245 VanDerWaalsContact O-CG 3.29Å; S241-K245 WeakPolarHBondContact O-CG 3.27Å; S241-K245 PolarHBondContact O-N 2.59Å; Q242-K245 WeakPolarHBondContact O-CB 3.49Å; Q242-K245 PolarHBondContact O-N 3.49Å; Q242-K245 VanDerWaalsContact O-N 3.14Å; L243-K245 VanDerWaalsContact C-N 3.33Å; L243-K245 PolarHBondContact O-N 3.14Å; K245-S248 WeakPolarHBondContact CA-OG 3.45Å; K245-S248 PolarHBondContact O-OG 3.08Å; K245-S248 VanDerWaalsContact O-OG 3.05Å; K245-T249 VanDerWaalsContact O-CB 3.26Å; K245-T249 WeakPolarHBondContact O-CB 3.25Å; K245-T249 PolarHBondContact O-N 3.08Å; K245-T249 PolarHBondContact O-OG1 2.89Å
246E88.3Confident84.5Confident103 Ų103101.3 Ų101.348%0.48151%0.508SS..Hα-helixtrans-65.9-47.6178.2-73.6175.6-16300111.7Q242 L243 S248 T249 L250Q242-E246 PolarHBondContact NE2-OE1 2.9Å; Q242-E246 WeakPolarHBondContact O-CG 3.47Å; Q242-E246 PolarHBondContact O-N 3.03Å; L243-E246 PolarHBondContact O-N 3.18Å; E246-S248 PolarHBondContact O-N 2.87Å; E246-T249 PolarHBondContact O-N 3.34Å; E246-L250 WeakPolarHBondContact O-CB 3.37Å; E246-L250 PolarHBondContact O-N 3.04Å
247V87.1Confident84.8Confident96 Ų96103.1 Ų103.158%0.58251%0.51SS*.Hα-helixtrans-61.8-43.6177171.60000111.6L243 L250 R251L243-V247 WeakPolarHBondContact O-CB 3.12Å; L243-V247 WeakPolarHBondContact O-CG2 3.36Å; L243-V247 PolarHBondContact O-N 2.96Å; V247-L250 PolarHBondContact O-N 3.43Å; V247-R251 VanDerWaalsContact O-CB 3.28Å; V247-R251 WeakPolarHBondContact O-CB 3.44Å; V247-R251 PolarHBondContact O-N 3.15Å
248S88.9Confident84.8Confident62 Ų62104.4 Ų104.443%0.43452%0.517SS..Hα-helixtrans-67.6-38.7177.153.90000112.5T244 K245 E246 R251 Q252T244-S248 VanDerWaalsContact O-CB 3.31Å; T244-S248 WeakPolarHBondContact O-CB 3.36Å; T244-S248 PolarHBondContact O-N 2.96Å; T244-S248 PolarHBondContact O-OG 3.43Å; K245-S248 WeakPolarHBondContact CA-OG 3.45Å; K245-S248 PolarHBondContact O-OG 3.08Å; K245-S248 VanDerWaalsContact O-OG 3.05Å; E246-S248 PolarHBondContact O-N 2.87Å; S248-R251 PolarHBondContact O-N 3.34Å; S248-Q252 WeakPolarHBondContact O-CB 3.32Å; S248-Q252 PolarHBondContact O-N 3.03Å
249T90Very high85Confident68 Ų68105 Ų10542%0.41751%0.512SS..Hα-helixtrans-62.1-47.6173.8-58.30000111.1K245 E246 R251 Q252 Q253K245-T249 VanDerWaalsContact O-CB 3.26Å; K245-T249 WeakPolarHBondContact O-CB 3.25Å; K245-T249 PolarHBondContact O-N 3.08Å; K245-T249 PolarHBondContact O-OG1 2.89Å; E246-T249 PolarHBondContact O-N 3.34Å; T249-R251 PolarHBondContact O-N 3.09Å; T249-Q252 PolarHBondContact O-N 3.24Å; T249-Q253 WeakPolarHBondContact O-CG 3.42Å; T249-Q253 PolarHBondContact O-N 3.28Å
250L87.6Confident85.3Confident94 Ų94105.4 Ų105.449%0.49252%0.517SS..Hα-helixtrans-63.5-42178.4-170.767.7000111.4E246 V247 Q252 Q253 F254E246-L250 WeakPolarHBondContact O-CB 3.37Å; E246-L250 PolarHBondContact O-N 3.04Å; V247-L250 PolarHBondContact O-N 3.43Å; L250-Q252 VanDerWaalsContact C-N 3.31Å; L250-Q252 PolarHBondContact O-N 2.76Å; L250-Q253 PolarHBondContact O-N 3.23Å; L250-F254 HydrophobicContact CD1-CD2 4.3Å; L250-F254 HydrophobicContact CD1-CE2 4.23Å; L250-F254 HydrophobicContact CG-CD2 4.11Å; L250-F254 HydrophobicContact CG-CE2 4.25Å; L250-F254 PolarHBondContact O-N 2.99Å
251R87.9Confident85.3Confident200 Ų200102.4 Ų102.476%0.75550%0.503SS*.Hα-helixtrans-60.3-39.7173.9-171.8177.7-176.3-176.41.3111.8V247 S248 T249 K255V247-R251 VanDerWaalsContact O-CB 3.28Å; V247-R251 WeakPolarHBondContact O-CB 3.44Å; V247-R251 PolarHBondContact O-N 3.15Å; S248-R251 PolarHBondContact O-N 3.34Å; T249-R251 PolarHBondContact O-N 3.09Å; R251-K255 VanDerWaalsContact O-CB 3.31Å; R251-K255 WeakPolarHBondContact O-CB 3.16Å; R251-K255 PolarHBondContact O-N 3.39Å
252Q88.4Confident85.1Confident136 Ų136105.6 Ų105.664%0.63651%0.51SS*.Hα-helixtrans-69.6-38.6176.2-169.8175.18.100112.3S248 T249 L250 K255 T256S248-Q252 WeakPolarHBondContact O-CB 3.32Å; S248-Q252 PolarHBondContact O-N 3.03Å; T249-Q252 PolarHBondContact O-N 3.24Å; L250-Q252 VanDerWaalsContact C-N 3.31Å; L250-Q252 PolarHBondContact O-N 2.76Å; Q252-K255 PolarHBondContact O-N 3.47Å; Q252-T256 WeakPolarHBondContact O-CB 3.47Å; Q252-T256 PolarHBondContact O-N 3.03Å; Q252-T256 PolarHBondContact O-OG1 2.75Å
253Q87.7Confident84.5Confident118 Ų118105.3 Ų105.355%0.55152%0.516SS*.Hα-helixtrans-62.4-49.2173.2-72.5177.4-1.100111.6T249 L250 K255 T256 Y257T249-Q253 WeakPolarHBondContact O-CG 3.42Å; T249-Q253 PolarHBondContact O-N 3.28Å; L250-Q253 PolarHBondContact O-N 3.23Å; Q253-K255 PolarHBondContact O-N 3.2Å; Q253-T256 PolarHBondContact O-N 3.29Å; Q253-Y257 WeakPolarHBondContact O-CB 3.48Å; Q253-Y257 PolarHBondContact O-N 3.42Å
254F81.3Confident83.7Confident143 Ų143103.9 Ų103.963%0.62751%0.512SS*.Hα-helixtrans-58.9-45.1175.3-97.1-78.8000112.1L250 T256 Y257 L258L250-F254 HydrophobicContact CD1-CD2 4.3Å; L250-F254 HydrophobicContact CD1-CE2 4.23Å; L250-F254 HydrophobicContact CG-CD2 4.11Å; L250-F254 HydrophobicContact CG-CE2 4.25Å; L250-F254 PolarHBondContact O-N 2.99Å; F254-T256 PolarHBondContact O-N 3.3Å; F254-Y257 PolarHBondContact O-N 2.82Å; F254-L258 WeakPolarHBondContact O-CB 3.44Å; F254-L258 PolarHBondContact O-N 3.03Å
255K87.3Confident83Confident127 Ų127104 Ų10455%0.55251%0.509SS*.Hα-helixtrans-59.9-45.8175.9-178.2170.4173.945.80111.7R251 Q252 Q253 Y257 L258 D259R251-K255 VanDerWaalsContact O-CB 3.31Å; R251-K255 WeakPolarHBondContact O-CB 3.16Å; R251-K255 PolarHBondContact O-N 3.39Å; Q252-K255 PolarHBondContact O-N 3.47Å; Q253-K255 PolarHBondContact O-N 3.2Å; K255-Y257 VanDerWaalsContact C-N 3.35Å; K255-Y257 PolarHBondContact O-N 3.2Å; K255-L258 PolarHBondContact O-N 3.04Å; K255-D259 WeakPolarHBondContact CG-OD2 3.49Å; K255-D259 IonicContact NZ-OD1 3.96Å; K255-D259 IonicContact NZ-OD2 3.16Å; K255-D259 PolarHBondContact NZ-OD2 3.49Å; K255-D259 WeakPolarHBondContact O-CB 3.27Å; K255-D259 PolarHBondContact O-N 3.45Å
256T87Confident82.2Confident88 Ų88102.8 Ų102.854%0.5451%0.508SS..Hα-helixtrans-63-40.9178.4-55.30000111.7Q252 Q253 F254 K260Q252-T256 WeakPolarHBondContact O-CB 3.47Å; Q252-T256 PolarHBondContact O-N 3.03Å; Q252-T256 PolarHBondContact O-OG1 2.75Å; Q253-T256 PolarHBondContact O-N 3.29Å; F254-T256 PolarHBondContact O-N 3.3Å; T256-K260 VanDerWaalsContact O-CB 3.22Å; T256-K260 WeakPolarHBondContact O-CB 3.25Å; T256-K260 PolarHBondContact O-N 3Å
257Y78.2Confident81.3Confident124 Ų124100 Ų10049%0.48650%0.496SS..Hα-helixtrans-65.6-45.6175.3-170.1-92.2000111.5Q253 F254 K255 K260 H261Q253-Y257 WeakPolarHBondContact O-CB 3.48Å; Q253-Y257 PolarHBondContact O-N 3.42Å; F254-Y257 PolarHBondContact O-N 2.82Å; K255-Y257 VanDerWaalsContact C-N 3.35Å; K255-Y257 PolarHBondContact O-N 3.2Å; Y257-K260 PolarHBondContact O-N 2.89Å; Y257-H261 AromaticContact CD1-CD2 3.99Å; Y257-H261 AromaticContact CE1-CD2 3.75Å; Y257-H261 AromaticContact CE2-CD2 3.83Å; Y257-H261 AromaticContact CE2-NE2 3.67Å; Y257-H261 AromaticContact CZ-CD2 3.66Å; Y257-H261 AromaticContact CZ-NE2 3.66Å; Y257-H261 PolarHBondContact O-CD2 3.19Å; Y257-H261 VanDerWaalsContact O-CD2 3.29Å; Y257-H261 PolarHBondContact O-N 2.92Å
258L75.4Confident80.3Confident102 Ų10299 Ų9953%0.53449%0.487SS..Hα-helixtrans-62.8-48.4177.9-168.272.7000111.3F254 K255 K260 H261 K262 L265F254-L258 WeakPolarHBondContact O-CB 3.44Å; F254-L258 PolarHBondContact O-N 3.03Å; K255-L258 PolarHBondContact O-N 3.04Å; L258-K260 VanDerWaalsContact C-N 3.3Å; L258-K260 PolarHBondContact O-N 3.48Å; L258-H261 CarbonylContact O-C 2.86Å; L258-H261 PolarHBondContact O-N 2.97Å; L258-H261 VanDerWaalsContact O-N 3.12Å; L258-K262 WeakPolarHBondContact O-CA 3.26Å; L258-K262 VanDerWaalsContact O-CB 3.25Å; L258-K262 WeakPolarHBondContact O-CB 3.34Å; L258-K262 PolarHBondContact O-N 3.42Å; L258-L265 HydrophobicContact CD1-CD1 4.42Å
259D83.5Confident79.4Confident72 Ų72100.1 Ų100.139%0.38549%0.488SS..Hα-helixtrans-63.8-34179.2-74.3-36.1000111.6K255K255-D259 WeakPolarHBondContact CG-OD2 3.49Å; K255-D259 IonicContact NZ-OD1 3.96Å; K255-D259 IonicContact NZ-OD2 3.16Å; K255-D259 PolarHBondContact NZ-OD2 3.49Å; K255-D259 WeakPolarHBondContact O-CB 3.27Å; K255-D259 PolarHBondContact O-N 3.45Å
260K83Confident78.5Confident155 Ų15599.8 Ų99.867%0.67448%0.484SS*.Hα-helixtrans-65.5-36.6171.9179.2-177.3178.9-176.50113.4T256 Y257 L258T256-K260 VanDerWaalsContact O-CB 3.22Å; T256-K260 WeakPolarHBondContact O-CB 3.25Å; T256-K260 PolarHBondContact O-N 3Å; Y257-K260 PolarHBondContact O-N 2.89Å; L258-K260 VanDerWaalsContact C-N 3.3Å; L258-K260 PolarHBondContact O-N 3.48Å
261H76.3Confident77.4Confident37 Ų3797.6 Ų97.617%0.17147%0.472CS..Hα-helixtrans-96.3-15.7-177.5-76.3-84.5000114Y257 L258 P263 S264 L265Y257-H261 AromaticContact CD1-CD2 3.99Å; Y257-H261 AromaticContact CE1-CD2 3.75Å; Y257-H261 AromaticContact CE2-CD2 3.83Å; Y257-H261 AromaticContact CE2-NE2 3.67Å; Y257-H261 AromaticContact CZ-CD2 3.66Å; Y257-H261 AromaticContact CZ-NE2 3.66Å; Y257-H261 PolarHBondContact O-CD2 3.19Å; Y257-H261 VanDerWaalsContact O-CD2 3.29Å; Y257-H261 PolarHBondContact O-N 2.92Å; L258-H261 CarbonylContact O-C 2.86Å; L258-H261 PolarHBondContact O-N 2.97Å; L258-H261 VanDerWaalsContact O-N 3.12Å; H261-P263 VanDerWaalsContact C-CD 3.46Å; H261-S264 WeakPolarHBondContact O-CA 3.49Å; H261-S264 WeakPolarHBondContact O-CB 3.44Å; H261-S264 PolarHBondContact O-N 3.33Å; H261-L265 PolarHBondContact O-N 2.76Å
262K78.4Confident76.3Confident119 Ų11992.2 Ų92.252%0.51746%0.458SS..Hα-helixtrans-49.3-43.3178.9177.1175.9-178176.20113.7L258 S264 L265 L266L258-K262 WeakPolarHBondContact O-CA 3.26Å; L258-K262 VanDerWaalsContact O-CB 3.25Å; L258-K262 WeakPolarHBondContact O-CB 3.34Å; L258-K262 PolarHBondContact O-N 3.42Å; K262-S264 VanDerWaalsContact C-N 3.31Å; K262-S264 PolarHBondContact O-N 2.82Å; K262-L265 PolarHBondContact O-N 2.96Å; K262-L266 WeakPolarHBondContact O-CB 3.31Å; K262-L266 PolarHBondContact O-N 3.39Å
263P75.6Confident75.4Confident86 Ų8689.2 Ų89.256%0.55845%0.446SS*.Hα-helixtrans-62.5-37.2175.3-22.534.2000112.7H261 L267H261-P263 VanDerWaalsContact C-CD 3.46Å; P263-L267 WeakPolarHBondContact O-CB 3.3Å; P263-L267 PolarHBondContact O-N 2.9Å; P263-L267 VanDerWaalsContact O-N 3.13Å
264S70.1Confident74.2Confident41 Ų4185.7 Ų85.729%0.28743%0.434SS..Hα-helixtrans-75.4-31.5179.2-55.10000112.6H261 K262 L268H261-S264 WeakPolarHBondContact O-CA 3.49Å; H261-S264 WeakPolarHBondContact O-CB 3.44Å; H261-S264 PolarHBondContact O-N 3.33Å; K262-S264 VanDerWaalsContact C-N 3.31Å; K262-S264 PolarHBondContact O-N 2.82Å; S264-L268 WeakPolarHBondContact O-CB 3.32Å; S264-L268 PolarHBondContact O-N 2.99Å
265L71.5Confident73.2Confident94 Ų9483.6 Ų83.649%0.49243%0.429SS..Hα-helixtrans-73.9-45.6175.5-68.5172.2000112L258 H261 K262 L267 L268 N269L258-L265 HydrophobicContact CD1-CD1 4.42Å; H261-L265 PolarHBondContact O-N 2.76Å; K262-L265 PolarHBondContact O-N 2.96Å; L265-L267 VanDerWaalsContact C-N 3.25Å; L265-L267 PolarHBondContact O-N 3.23Å; L265-L268 PolarHBondContact O-N 3.49Å; L265-N269 PolarHBondContact O-N 3.23Å
266L73.4Confident71.9Confident94 Ų9483.2 Ų83.249%0.49243%0.433SS..Hα-helixtrans-57.4-44173.4-169.888.1000110.8K262 N269 N270K262-L266 WeakPolarHBondContact O-CB 3.31Å; K262-L266 PolarHBondContact O-N 3.39Å; L266-N269 PolarHBondContact O-N 3.23Å; L266-N270 PolarHBondContact O-N 3.12Å; L266-N270 PolarHBondContact O-ND2 3.37Å; L266-N270 PolarHBondContact O-OD1 3.42Å
267L68Low70.8Confident45 Ų4583.7 Ų83.724%0.23643%0.433CS..Hα-helixtrans-61.9-41.2177.5177.862.5000112.9P263 L265 I271 V372 Y376P263-L267 WeakPolarHBondContact O-CB 3.3Å; P263-L267 PolarHBondContact O-N 2.9Å; P263-L267 VanDerWaalsContact O-N 3.13Å; L265-L267 VanDerWaalsContact C-N 3.25Å; L265-L267 PolarHBondContact O-N 3.23Å; L267-I271 WeakPolarHBondContact O-CD1 3.49Å; L267-I271 WeakPolarHBondContact O-CG1 3.17Å; L267-I271 PolarHBondContact O-N 2.6Å; L267-V372 HydrophobicContact CD1-CG1 3.56Å; L267-V372 HydrophobicContact CD2-CB 4.09Å; L267-V372 HydrophobicContact CD2-CG1 3.49Å; L267-V372 VanDerWaalsContact CD2-CG1 3.49Å; L267-V372 HydrophobicContact CG-CG1 3.5Å; L267-Y376 HydrophobicContact CD1-CD2 3.46Å; L267-Y376 VanDerWaalsContact CD1-CD2 3.46Å; L267-Y376 HydrophobicContact CD1-CE2 3.08Å; L267-Y376 HydrophobicContact CD1-CG 4.32Å
268L67.4Low69.6Low74 Ų7486 Ų8639%0.38745%0.448SS..Hα-helixtrans-66-42.3172.6179.863.2000111.6S264 L265 I271 L272S264-L268 WeakPolarHBondContact O-CB 3.32Å; S264-L268 PolarHBondContact O-N 2.99Å; L265-L268 PolarHBondContact O-N 3.49Å; L268-I271 PolarHBondContact O-N 3.28Å; L268-L272 HydrophobicContact CG-CD1 4.18Å; L268-L272 WeakPolarHBondContact O-CG 3.35Å; L268-L272 PolarHBondContact O-N 3.26Å
269N69Low68.5Low85 Ų8587.8 Ų87.846%0.45545%0.451SS..Hα-helixtrans-61.9-48178.8-152.188.6000111.3L265 L266 I271 L272 D273L265-N269 PolarHBondContact O-N 3.23Å; L266-N269 PolarHBondContact O-N 3.23Å; N269-I271 PolarHBondContact O-N 3.19Å; N269-L272 CarbonylContact O-C 3.56Å; N269-L272 WeakPolarHBondContact O-CA 3.5Å; N269-L272 WeakPolarHBondContact O-CB 3.44Å; N269-L272 PolarHBondContact O-N 2.87Å; N269-D273 PolarHBondContact ND2-OD1 2.91Å; N269-D273 PolarHBondContact ND2-OD2 3.19Å; N269-D273 VanDerWaalsContact O-CG 3.23Å; N269-D273 PolarHBondContact O-N 3.49Å
270N70.4Confident66.7Low61 Ų6189.1 Ų89.133%0.32647%0.472SS..Hα-helixtrans-56.1-37176.4-65.6-16.5000112.4L266 S274 Y376L266-N270 PolarHBondContact O-N 3.12Å; L266-N270 PolarHBondContact O-ND2 3.37Å; L266-N270 PolarHBondContact O-OD1 3.42Å; N270-S274 VanDerWaalsContact O-CB 3.25Å; N270-S274 WeakPolarHBondContact O-CB 3.42Å; N270-S274 PolarHBondContact O-N 3.1Å; N270-S274 PolarHBondContact O-OG 3.37Å; N270-Y376 PolarHBondContact ND2-OH 2.65Å
271I65.6Low65.3Low48 Ų4887.3 Ų87.325%0.24646%0.464CS..Hα-helixtrans-66.9-47.1175.3-68.3164.4000110.3L267 L268 N269 S274 L275 V372L267-I271 WeakPolarHBondContact O-CD1 3.49Å; L267-I271 WeakPolarHBondContact O-CG1 3.17Å; L267-I271 PolarHBondContact O-N 2.6Å; L268-I271 PolarHBondContact O-N 3.28Å; N269-I271 PolarHBondContact O-N 3.19Å; I271-S274 PolarHBondContact O-N 3.17Å; I271-S274 PolarHBondContact O-OG 3.12Å; I271-L275 HydrophobicContact CG2-CD1 4.06Å; I271-L275 WeakPolarHBondContact O-CG 3.41Å; I271-L275 PolarHBondContact O-N 3.38Å; I271-V372 HydrophobicContact CD1-CG1 3.78Å; I271-V372 HydrophobicContact CD1-CG2 4.36Å
272L65.2Low63.8Low87 Ų8790.4 Ų90.446%0.45550%0.496SS..Hα-helixtrans-61.3-44.7177.9-67169.4000112L268 N269 S274 L275 N276L268-L272 HydrophobicContact CG-CD1 4.18Å; L268-L272 WeakPolarHBondContact O-CG 3.35Å; L268-L272 PolarHBondContact O-N 3.26Å; N269-L272 CarbonylContact O-C 3.56Å; N269-L272 WeakPolarHBondContact O-CA 3.5Å; N269-L272 WeakPolarHBondContact O-CB 3.44Å; N269-L272 PolarHBondContact O-N 2.87Å; L272-S274 VanDerWaalsContact C-N 3.35Å; L272-S274 PolarHBondContact O-N 2.87Å; L272-L275 PolarHBondContact O-N 2.95Å; L272-N276 PolarHBondContact O-N 3.35Å
273D68.8Low62.4Low74 Ų7489.7 Ų89.740%0.39650%0.497SS..Hα-helixtrans-60.6-44.8175.3-61.7-33000110.8N269 L275 N276 D277N269-D273 PolarHBondContact ND2-OD1 2.91Å; N269-D273 PolarHBondContact ND2-OD2 3.19Å; N269-D273 VanDerWaalsContact O-CG 3.23Å; N269-D273 PolarHBondContact O-N 3.49Å; D273-L275 VanDerWaalsContact C-N 3.26Å; D273-L275 PolarHBondContact O-N 3.12Å; D273-N276 WeakPolarHBondContact O-CB 3.45Å; D273-N276 PolarHBondContact O-N 2.9Å; D273-N276 VanDerWaalsContact O-N 3.12Å; D273-D277 PolarHBondContact O-N 2.91Å; D273-D277 VanDerWaalsContact O-N 3.15Å
274S63.5Low61.5Low43 Ų4389.5 Ų89.530%0.30149%0.492SS..Hα-helixtrans-65.9-25.4178.677.50000114N270 I271 L272 F281N270-S274 VanDerWaalsContact O-CB 3.25Å; N270-S274 WeakPolarHBondContact O-CB 3.42Å; N270-S274 PolarHBondContact O-N 3.1Å; N270-S274 PolarHBondContact O-OG 3.37Å; I271-S274 PolarHBondContact O-N 3.17Å; I271-S274 PolarHBondContact O-OG 3.12Å; L272-S274 VanDerWaalsContact C-N 3.35Å; L272-S274 PolarHBondContact O-N 2.87Å; S274-F281 WeakPolarHBondContact O-CE2 3.5Å
275L58.7Low60.5Low99 Ų9989.6 Ų89.652%0.51849%0.492SS..Hα-helixtrans-77.7-35.4172.5-71166.1000111.7I271 L272 D273 D277 H278 F281I271-L275 HydrophobicContact CG2-CD1 4.06Å; I271-L275 WeakPolarHBondContact O-CG 3.41Å; I271-L275 PolarHBondContact O-N 3.38Å; L272-L275 PolarHBondContact O-N 2.95Å; D273-L275 VanDerWaalsContact C-N 3.26Å; D273-L275 PolarHBondContact O-N 3.12Å; L275-D277 VanDerWaalsContact C-N 3.28Å; L275-D277 PolarHBondContact O-N 2.7Å; L275-H278 PolarHBondContact O-N 3.11Å; L275-F281 HydrophobicContact CD2-CD2 4.23Å; L275-F281 HydrophobicContact CD2-CE2 4.04Å
276N61.4Low59.8Low119 Ų11989.4 Ų89.464%0.63650%0.499SS*.Hα-helixtrans-65.2-31.3174.8-75.9-21.9000112.4L272 D273 H278L272-N276 PolarHBondContact O-N 3.35Å; D273-N276 WeakPolarHBondContact O-CB 3.45Å; D273-N276 PolarHBondContact O-N 2.9Å; D273-N276 VanDerWaalsContact O-N 3.12Å; N276-H278 PolarHBondContact O-CE1 3.37Å; N276-H278 PolarHBondContact O-N 3.17Å; N276-H278 PolarHBondContact O-ND1 3.45Å
277D62.7Low58.9Low99 Ų9990.5 Ų90.553%0.52950%0.499SS..THydrogen-bonded Turntrans-62.6-1.3178.6-11125.8000115.3D273 L275 K279D273-D277 PolarHBondContact O-N 2.91Å; D273-D277 VanDerWaalsContact O-N 3.15Å; L275-D277 VanDerWaalsContact C-N 3.28Å; L275-D277 PolarHBondContact O-N 2.7Å; D277-K279 HydrophobicContact CB-CD 4.46Å; D277-K279 PolarHBondContact O-N 3.21Å; D277-K279 IonicContact OD2-NZ 3.69Å; D277-K279 PolarHBondContact OD2-NZ 2.92Å
278H53.6Low58.3Low173 Ų17389.9 Ų89.980%0.80150%0.496SS*.  trans56.98.9176.8-69.715.6000115.5L275 N276 A280L275-H278 PolarHBondContact O-N 3.11Å; N276-H278 PolarHBondContact O-CE1 3.37Å; N276-H278 PolarHBondContact O-N 3.17Å; N276-H278 PolarHBondContact O-ND1 3.45Å; H278-A280 PolarHBondContact O-N 2.72Å
279K52.8Low57.7Low138 Ų13895.5 Ų95.560%0.651%0.512SS*.  trans-66.8122.2175.8-73.4168.9-175.1145.70109.4D277 F281D277-K279 HydrophobicContact CB-CD 4.46Å; D277-K279 PolarHBondContact O-N 3.21Å; D277-K279 IonicContact OD2-NZ 3.69Å; D277-K279 PolarHBondContact OD2-NZ 2.92Å; K279-F281 VanDerWaalsContact O-CD2 3.28Å; K279-F281 WeakPolarHBondContact O-CD2 3.46Å; K279-F281 PolarHBondContact O-N 3.48Å
280A44.3Very low56.8Low100 Ų10093.2 Ų93.283%0.82650%0.498SS*.  trans-64.4101.5179.100000110.8H278 A282H278-A280 PolarHBondContact O-N 2.72Å; A280-A282 PolarHBondContact O-N 3.29Å
281F53.6Low55.8Low118 Ų11892.2 Ų92.252%0.51849%0.493SS..  trans-67.899.8172.8-72-85000110.2S274 L275 K279 L283S274-F281 WeakPolarHBondContact O-CE2 3.5Å; L275-F281 HydrophobicContact CD2-CD2 4.23Å; L275-F281 HydrophobicContact CD2-CE2 4.04Å; K279-F281 VanDerWaalsContact O-CD2 3.28Å; K279-F281 WeakPolarHBondContact O-CD2 3.46Å; K279-F281 PolarHBondContact O-N 3.48Å; F281-L283 VanDerWaalsContact C-N 3.28Å; F281-L283 HydrophobicContact CB-CD1 4.14Å; F281-L283 PolarHBondContact O-N 3.49Å
282A45Very low54.8Low101 Ų10198.7 Ų98.784%0.83552%0.522SS*.  trans-71.182.8170.300000110.4A280 N284A280-A282 PolarHBondContact O-N 3.29Å; A282-N284 PolarHBondContact O-N 3.36Å
283L50.2Low53.8Low105 Ų10596.4 Ų96.455%0.5551%0.513SS..  trans-65.4100.2173.5-85.8107.7000110.5F281 S285 I288F281-L283 VanDerWaalsContact C-N 3.28Å; F281-L283 HydrophobicContact CB-CD1 4.14Å; F281-L283 PolarHBondContact O-N 3.49Å; L283-S285 PolarHBondContact O-N 3.2Å; L283-I288 HydrophobicContact CB-CD1 4.19Å; L283-I288 HydrophobicContact CD2-CD1 3.69Å
284N55.7Low52.6Low82 Ų8296.3 Ų96.344%0.43953%0.53SS..  trans-73111.7175-171.6-15.5000110.7A282 S286 K287A282-N284 PolarHBondContact O-N 3.36Å; N284-S286 PolarHBondContact O-N 3.32Å; N284-S286 PolarHBondContact OD1-N 3.03Å; N284-S286 PolarHBondContact OD1-OG 3.43Å; N284-K287 HydrophobicContact CB-CD 4.28Å; N284-K287 HydrophobicContact CB-CG 4.22Å; N284-K287 PolarHBondContact O-N 3.08Å
285S50.4Low51.6Low42 Ų42100 Ų10029%0.29455%0.547SS..THydrogen-bonded Turntrans-53.3-27-178.9650000115.2L283 K287L283-S285 PolarHBondContact O-N 3.2Å; S285-K287 VanDerWaalsContact C-N 3.33Å
286S55.8Low51Low90 Ų9097.9 Ų97.963%0.62954%0.535SS*.THydrogen-bonded Turntrans-77.6-15.9178.266.30000114.2N284N284-S286 PolarHBondContact O-N 3.32Å; N284-S286 PolarHBondContact OD1-N 3.03Å; N284-S286 PolarHBondContact OD1-OG 3.43Å
287K55.7Low49.9Very low117 Ų11796.1 Ų96.151%0.50953%0.532SS..THydrogen-bonded Turntrans-90.8-16.6178.7-63.5-172.2178.4-176.60113.4N284 S285 R289N284-K287 HydrophobicContact CB-CD 4.28Å; N284-K287 HydrophobicContact CB-CG 4.22Å; N284-K287 PolarHBondContact O-N 3.08Å; S285-K287 VanDerWaalsContact C-N 3.33Å; K287-R289 PolarHBondContact O-N 3.17Å
288I55Low48.9Very low32 Ų3294.9 Ų94.916%0.16453%0.531CS..  trans-89.4108-174.3-54.7165.4000109L283 L316 F321L283-I288 HydrophobicContact CB-CD1 4.19Å; L283-I288 HydrophobicContact CD2-CD1 3.69Å; I288-L316 HydrophobicContact CB-CD1 4.12Å; I288-L316 HydrophobicContact CB-CD2 4.23Å; I288-L316 HydrophobicContact CD1-CD2 3.93Å; I288-L316 HydrophobicContact CG2-CD1 3.79Å; I288-L316 HydrophobicContact CG2-CD2 3.88Å; I288-L316 HydrophobicContact CG2-CG 4.49Å; I288-F321 HydrophobicContact CG2-CD2 4.28Å; I288-F321 HydrophobicContact CG2-CE2 3.93Å; I288-F321 HydrophobicContact CG2-CZ 4.43Å
289R53.8Low48.3Very low192 Ų19290.9 Ų90.973%0.72552%0.522SS*.PPolyproline II helixtrans-86.6138.5168.9-60.3-172.5-165.4176.86.5109.5K287 L291K287-R289 PolarHBondContact O-N 3.17Å; R289-L291 PolarHBondContact O-N 3.06Å
290F51Low47.9Very low37 Ų3789.8 Ų89.816%0.16252%0.515CS..PPolyproline II helixtrans-57.5131.8160.9-89.4-103.6000109Q292 K310 L316 L320 F321F290-Q292 PolarHBondContact O-N 3.21Å; F290-K310 HydrophobicContact CB-CD 4.3Å; F290-K310 HydrophobicContact CD1-CB 4.37Å; F290-K310 HydrophobicContact CD1-CD 4.24Å; F290-K310 HydrophobicContact CD1-CG 3.96Å; F290-K310 HydrophobicContact CD2-CB 3.74Å; F290-K310 HydrophobicContact CD2-CG 4.24Å; F290-K310 HydrophobicContact CE1-CB 4.45Å; F290-K310 HydrophobicContact CE1-CG 4.12Å; F290-K310 HydrophobicContact CE2-CB 3.84Å; F290-K310 HydrophobicContact CE2-CG 4.4Å; F290-K310 WeakPolarHBondContact CE2-O 3.06Å; F290-K310 HydrophobicContact CG-CB 4.02Å; F290-K310 HydrophobicContact CG-CD 4.17Å; F290-K310 HydrophobicContact CG-CG 4.02Å; F290-K310 HydrophobicContact CZ-CB 4.2Å; F290-K310 HydrophobicContact CZ-CG 4.34Å; F290-L316 HydrophobicContact CD2-CD1 3.66Å; F290-L316 HydrophobicContact CE2-CD1 3.35Å; F290-L316 HydrophobicContact CE2-CG 4.1Å; F290-L316 HydrophobicContact CZ-CD1 4.38Å; F290-L320 HydrophobicContact CE1-CB 4.48Å; F290-L320 HydrophobicContact CE1-CD2 3.97Å; F290-L320 HydrophobicContact CE1-CG 3.94Å; F290-L320 HydrophobicContact CZ-CB 4.19Å; F290-L320 HydrophobicContact CZ-CD2 4.01Å; F290-L320 HydrophobicContact CZ-CG 4.09Å; F290-F321 HydrophobicContact CZ-CB 4.1Å
291L49.3Very low47.8Very low41 Ų4187.3 Ų87.322%0.21549%0.488CS..PPolyproline II helixtrans-60.6122175.6-66.9160.1000108.2R289 S293 L328 V367 Q370 A371R289-L291 PolarHBondContact O-N 3.06Å; L291-S293 PolarHBondContact O-N 3Å; L291-S293 PolarHBondContact O-OG 2.86Å; L291-L328 HydrophobicContact CD1-CD1 4.36Å; L291-V367 HydrophobicContact CB-CG1 4.44Å; L291-V367 HydrophobicContact CD1-CG1 3.68Å; L291-V367 HydrophobicContact CG-CG1 4.5Å; L291-Q370 HydrophobicContact CD2-CB 4.33Å; L291-Q370 HydrophobicContact CD2-CG 4.36Å; L291-A371 HydrophobicContact CD1-CB 3.97Å; L291-A371 HydrophobicContact CD2-CB 4.18Å
292Q43.4Very low47.3Very low183 Ų18386.8 Ų86.886%0.85549%0.49SS*.  trans-70.173.5174-78.9-174-2400109.6F290 G294F290-Q292 PolarHBondContact O-N 3.21Å; Q292-G294 VanDerWaalsContact C-N 3.35Å; Q292-G294 PolarHBondContact O-N 3.15Å; Q292-G294 VanDerWaalsContact O-N 3.07Å
293S45.4Very low47.3Very low39 Ų3991.2 Ų91.227%0.27349%0.494SS..  trans-79.185.2174.339.20000109L291 N295 I296L291-S293 PolarHBondContact O-N 3Å; L291-S293 PolarHBondContact O-OG 2.86Å; S293-N295 PolarHBondContact O-N 3.46Å; S293-I296 VanDerWaalsContact CB-CD1 3.42Å; S293-I296 PolarHBondContact O-N 2.79Å
294G44.2Very low47.1Very low73 Ų7393.6 Ų93.675%0.75351%0.507SS*.THydrogen-bonded Turntrans-54.3-24.1179.300000114.3Q292Q292-G294 VanDerWaalsContact C-N 3.35Å; Q292-G294 PolarHBondContact O-N 3.15Å; Q292-G294 VanDerWaalsContact O-N 3.07Å
295N42.2Very low46.5Very low121 Ų12195.2 Ų95.265%0.64752%0.516SS*.THydrogen-bonded Turntrans-131.821.6-175.8-63-38.8000115S293 S297S293-N295 PolarHBondContact O-N 3.46Å; N295-S297 PolarHBondContact O-N 3.21Å; N295-S297 VanDerWaalsContact O-N 3.07Å
296I45.3Very low46.5Very low53 Ų53102.7 Ų102.727%0.27254%0.543SS..SBendtrans-8280.6158.2-62.3173000105.7S293 S298 L328S293-I296 VanDerWaalsContact CB-CD1 3.42Å; S293-I296 PolarHBondContact O-N 2.79Å; I296-S298 PolarHBondContact O-N 2.89Å; I296-L328 HydrophobicContact CD1-CD2 3.74Å; I296-L328 HydrophobicContact CD1-CG 4.25Å
297S38.6Very low46.5Very low82 Ų82104.8 Ų104.857%0.57354%0.543SS*.  trans-50.4139.3-171.8-64.20000112.3N295 S299N295-S297 PolarHBondContact O-N 3.21Å; N295-S297 VanDerWaalsContact O-N 3.07Å; S297-S299 PolarHBondContact O-N 3.47Å
298S41.9Very low46.8Very low74 Ų74103.7 Ų103.752%0.51754%0.54SS..G310 helixtrans-592.6175.4-170.80000114.8I296 Y300 L301I296-S298 PolarHBondContact O-N 2.89Å; S298-Y300 PolarHBondContact O-N 3.29Å; S298-L301 PolarHBondContact O-N 3.21Å; S298-L301 VanDerWaalsContact O-N 3.07Å
299S40.8Very low47.4Very low88 Ų88105.9 Ų105.962%0.61556%0.556SS**G310 helixtrans-68.71.2-177.667.40000115.1S297S297-S299 PolarHBondContact O-N 3.47Å
300Y43.6Very low48Very low116 Ų116102.2 Ų102.246%0.45555%0.545SS..G310 helixtrans-121.58.1173.7-79.8-71.1000113.5S298 R323 M327 F353S298-Y300 PolarHBondContact O-N 3.29Å; Y300-R323 PolarHBondContact O-NH2 2.94Å; Y300-M327 HydrophobicContact CG-CE 4.37Å; Y300-F353 WeakPolarHBondContact OH-CE1 3.3Å; Y300-F353 WeakPolarHBondContact OH-CZ 3.5Å
301L43.6Very low48.4Very low47 Ų47105.5 Ų105.525%0.24656%0.561CS.*SBendtrans-84.2127.2151.4-61.3178.8000105.3S298 E303 E307S298-L301 PolarHBondContact O-N 3.21Å; S298-L301 VanDerWaalsContact O-N 3.07Å; L301-E303 PolarHBondContact O-N 3.3Å; L301-E307 HydrophobicContact CD1-CG 4.15Å
302D42.1Very low49Very low107 Ų107107.8 Ų107.857%0.57257%0.573SS**  trans-54.6124.2173.7-63-64.6000108.1N304 N305D302-N304 PolarHBondContact O-N 3.43Å; D302-N305 PolarHBondContact O-N 3.2Å
303E44.7Very low49.9Very low194 Ų194106.6 Ų106.691%0.90757%0.572SS**THydrogen-bonded Turntrans-57.7-14.2-173.5-66.9-150.2152.400113.9L301L301-E303 PolarHBondContact O-N 3.3Å
304N47.7Very low50.8Low156 Ų156107.1 Ų107.183%0.83458%0.584SS**THydrogen-bonded Turntrans-94-3.1180-66.7-38.5000115.1D302D302-N304 PolarHBondContact O-N 3.43Å
305N42.3Very low51.5Low116 Ų116110.3 Ų110.362%0.6258%0.577SS**SBendtrans-115.3118.3176.9-75.9-42.6000111.1D302 E307D302-N305 PolarHBondContact O-N 3.2Å; N305-E307 PolarHBondContact O-N 3.38Å
306K50.9Low52.6Low199 Ų199105.4 Ų105.487%0.86555%0.551SS**  trans-44.7134.8175.2-64.5174.7178.4176.50110.3E308K306-E308 PolarHBondContact O-N 2.88Å
307E55.9Low53.9Low134 Ų134103.4 Ų103.463%0.62654%0.541SS*.PPolyproline II helixtrans-46.3117176-70.2-166.2133.900110.2L301 N305L301-E307 HydrophobicContact CD1-CG 4.15Å; N305-E307 PolarHBondContact O-N 3.38Å
308E61.2Low55.2Low93 Ų93105.4 Ų105.444%0.43554%0.539SS..PPolyproline II helixtrans-58.5129.7171.7-84.3-168.9-168.200108.4K306 K310 N317 L320K306-E308 PolarHBondContact O-N 2.88Å; E308-K310 PolarHBondContact O-N 3.47Å; E308-N317 PolarHBondContact OE2-ND2 2.94Å; E308-L320 HydrophobicContact CB-CD1 4.46Å; E308-L320 HydrophobicContact CB-CD2 4.04Å; E308-L320 WeakPolarHBondContact O-CD2 3.48Å
309P67.9Low56.5Low78 Ų78107.5 Ų107.551%0.50654%0.541SS..PPolyproline II helixtrans-64.1130.4-178.728.1-35.1000109Q311 I312 N317P309-Q311 WeakPolarHBondContact CB-O 3.32Å; P309-Q311 PolarHBondContact O-N 3.12Å; P309-Q311 VanDerWaalsContact O-N 3.1Å; P309-I312 HydrophobicContact CG-CG1 4.24Å; P309-N317 WeakPolarHBondContact O-CB 3.27Å; P309-N317 PolarHBondContact O-ND2 2.85Å
310K65.6Low57.9Low116 Ų116103.8 Ų103.850%0.50451%0.514SS..SBendtrans-58.4-24178.6-68.9169.8-172.91650111.9F290 E308 N317 L320F290-K310 HydrophobicContact CB-CD 4.3Å; F290-K310 HydrophobicContact CD1-CB 4.37Å; F290-K310 HydrophobicContact CD1-CD 4.24Å; F290-K310 HydrophobicContact CD1-CG 3.96Å; F290-K310 HydrophobicContact CD2-CB 3.74Å; F290-K310 HydrophobicContact CD2-CG 4.24Å; F290-K310 HydrophobicContact CE1-CB 4.45Å; F290-K310 HydrophobicContact CE1-CG 4.12Å; F290-K310 HydrophobicContact CE2-CB 3.84Å; F290-K310 HydrophobicContact CE2-CG 4.4Å; F290-K310 WeakPolarHBondContact CE2-O 3.06Å; F290-K310 HydrophobicContact CG-CB 4.02Å; F290-K310 HydrophobicContact CG-CD 4.17Å; F290-K310 HydrophobicContact CG-CG 4.02Å; F290-K310 HydrophobicContact CZ-CB 4.2Å; F290-K310 HydrophobicContact CZ-CG 4.34Å; E308-K310 PolarHBondContact O-N 3.47Å; K310-N317 PolarHBondContact O-N 3.44Å; K310-L320 HydrophobicContact CG-CD2 4.22Å
311Q59.1Low59.1Low106 Ų106100.5 Ų100.550%0.49550%0.502SS..EExtended strand (participates in β ladder)trans-129.6134.6169.9-68.8176.3-14.100110.6P309 K315P309-Q311 WeakPolarHBondContact CB-O 3.32Å; P309-Q311 PolarHBondContact O-N 3.12Å; P309-Q311 VanDerWaalsContact O-N 3.1Å; Q311-K315 CarbonylContact C-O 3.52Å; Q311-K315 WeakPolarHBondContact CA-O 3.47Å; Q311-K315 WeakPolarHBondContact CB-O 3.25Å
312I63.5Low60.3Low88 Ų88101.8 Ų101.845%0.45151%0.509SS..EExtended strand (participates in β ladder)trans-106.7120.7170.4-59.5168.3000105.7P309 G314 K315 N317P309-I312 HydrophobicContact CG-CG1 4.24Å; I312-G314 VanDerWaalsContact C-N 3.25Å; I312-G314 PolarHBondContact O-N 3.04Å; I312-K315 PolarHBondContact N-O 2.68Å; I312-K315 WeakPolarHBondContact O-CB 3.36Å; I312-K315 PolarHBondContact O-N 3.15Å; I312-N317 HydrophobicContact CD1-CB 4.22Å; I312-N317 HydrophobicContact CG1-CB 4.32Å
313D62.2Low61.4Low158 Ų158101.4 Ų101.485%0.84550%0.499SS*.THydrogen-bonded Turntrans48.443.2-177.9-56.1-29.9000114.2K315D313-K315 PolarHBondContact O-N 2.85Å; D313-K315 VanDerWaalsContact O-N 3.15Å
314G62.7Low62.4Low51 Ų5194.5 Ų94.553%0.52647%0.467SS..THydrogen-bonded Turntrans72.3-2.3-178.500000115.3I312I312-G314 VanDerWaalsContact C-N 3.25Å; I312-G314 PolarHBondContact O-N 3.04Å
315K60Low63.2Low139 Ų13989.1 Ų89.160%0.60444%0.442SS*.EExtended strand (participates in β ladder)trans-95.9148.1174-63.8175-177.2171.90110.2Q311 I312 D313 N317Q311-K315 CarbonylContact C-O 3.52Å; Q311-K315 WeakPolarHBondContact CA-O 3.47Å; Q311-K315 WeakPolarHBondContact CB-O 3.25Å; I312-K315 PolarHBondContact N-O 2.68Å; I312-K315 WeakPolarHBondContact O-CB 3.36Å; I312-K315 PolarHBondContact O-N 3.15Å; D313-K315 PolarHBondContact O-N 2.85Å; D313-K315 VanDerWaalsContact O-N 3.15Å; K315-N317 PolarHBondContact O-N 3.13Å
316L66Low64.3Low19 Ų1987.9 Ų87.910%0.09943%0.434CS..EExtended strand (participates in β ladder)trans-53.7128.7175-171.282.5000110.9I288 F290 F318 F321I288-L316 HydrophobicContact CB-CD1 4.12Å; I288-L316 HydrophobicContact CB-CD2 4.23Å; I288-L316 HydrophobicContact CD1-CD2 3.93Å; I288-L316 HydrophobicContact CG2-CD1 3.79Å; I288-L316 HydrophobicContact CG2-CD2 3.88Å; I288-L316 HydrophobicContact CG2-CG 4.49Å; F290-L316 HydrophobicContact CD2-CD1 3.66Å; F290-L316 HydrophobicContact CE2-CD1 3.35Å; F290-L316 HydrophobicContact CE2-CG 4.1Å; F290-L316 HydrophobicContact CZ-CD1 4.38Å; L316-F318 VanDerWaalsContact C-N 3.3Å; L316-F318 HydrophobicContact CD2-CD2 4.5Å; L316-F318 PolarHBondContact O-N 3.32Å; L316-F321 HydrophobicContact CD1-CD2 4.5Å; L316-F321 HydrophobicContact CD2-CB 3.88Å; L316-F321 HydrophobicContact CD2-CD1 4.23Å; L316-F321 HydrophobicContact CD2-CD2 4.18Å; L316-F321 HydrophobicContact CD2-CG 3.83Å; L316-F321 HydrophobicContact CG-CB 4.25Å
317N71.6Confident65Low10 Ų1081.5 Ų81.55%0.05341%0.408CS..  trans-68.493.3163.7179.9-14.5000108.4E308 P309 K310 I312 K315 H319 L320 F321E308-N317 PolarHBondContact OE2-ND2 2.94Å; P309-N317 WeakPolarHBondContact O-CB 3.27Å; P309-N317 PolarHBondContact O-ND2 2.85Å; K310-N317 PolarHBondContact O-N 3.44Å; I312-N317 HydrophobicContact CD1-CB 4.22Å; I312-N317 HydrophobicContact CG1-CB 4.32Å; K315-N317 PolarHBondContact O-N 3.13Å; N317-H319 VanDerWaalsContact C-N 3.29Å; N317-H319 PolarHBondContact O-N 3.18Å; N317-H319 PolarHBondContact OD1-N 3.09Å; N317-L320 HydrophobicContact CB-CB 4.05Å; N317-L320 VanDerWaalsContact CG-CB 3.43Å; N317-L320 WeakPolarHBondContact ND2-CB 3.29Å; N317-L320 PolarHBondContact O-N 3.44Å; N317-L320 PolarHBondContact OD1-N 2.89Å; N317-F321 WeakPolarHBondContact O-CB 3.32Å; N317-F321 PolarHBondContact O-N 2.8Å
318F67Low65.6Low124 Ų12476.5 Ų76.554%0.54439%0.386SS..Hα-helixtrans-65.5-31.7-175.4-174.2-112.8000112.6L316 F321 L322L316-F318 VanDerWaalsContact C-N 3.3Å; L316-F318 HydrophobicContact CD2-CD2 4.5Å; L316-F318 PolarHBondContact O-N 3.32Å; F318-F321 HydrophobicContact CD2-CD1 4.49Å; F318-L322 HydrophobicContact CD1-CD1 3.87Å; F318-L322 HydrophobicContact CD1-CG 4.32Å; F318-L322 HydrophobicContact CE1-CD1 3.38Å; F318-L322 HydrophobicContact CE1-CG 3.97Å; F318-L322 HydrophobicContact CE2-CD1 4.48Å; F318-L322 HydrophobicContact CE2-CD2 4.39Å; F318-L322 HydrophobicContact CE2-CG 4.19Å; F318-L322 HydrophobicContact CZ-CD1 3.74Å; F318-L322 HydrophobicContact CZ-CD2 4.08Å; F318-L322 HydrophobicContact CZ-CG 3.9Å; F318-L322 WeakPolarHBondContact O-CB 3.41Å; F318-L322 WeakPolarHBondContact O-CG 3.49Å; F318-L322 PolarHBondContact O-N 3.44Å
319H68.2Low65.8Low118 Ų11876.1 Ų76.155%0.54639%0.386SS..Hα-helixtrans-63.8-52.1175-179.672.5000110.9N317 F321 L322 R323N317-H319 VanDerWaalsContact C-N 3.29Å; N317-H319 PolarHBondContact O-N 3.18Å; N317-H319 PolarHBondContact OD1-N 3.09Å; H319-F321 VanDerWaalsContact C-N 3.33Å; H319-F321 PolarHBondContact O-N 2.77Å; H319-L322 PolarHBondContact O-N 3.17Å; H319-R323 WeakPolarHBondContact O-CB 3.09Å; H319-R323 PolarHBondContact O-N 3.16Å
320L70.2Confident65.8Low10 Ų1077.8 Ų77.85%0.05239%0.387CS..Hα-helixtrans-62.4-39.6177.5-173.764.4000111.7F290 E308 K310 N317 R323 H324F290-L320 HydrophobicContact CE1-CB 4.48Å; F290-L320 HydrophobicContact CE1-CD2 3.97Å; F290-L320 HydrophobicContact CE1-CG 3.94Å; F290-L320 HydrophobicContact CZ-CB 4.19Å; F290-L320 HydrophobicContact CZ-CD2 4.01Å; F290-L320 HydrophobicContact CZ-CG 4.09Å; E308-L320 HydrophobicContact CB-CD1 4.46Å; E308-L320 HydrophobicContact CB-CD2 4.04Å; E308-L320 WeakPolarHBondContact O-CD2 3.48Å; K310-L320 HydrophobicContact CG-CD2 4.22Å; N317-L320 HydrophobicContact CB-CB 4.05Å; N317-L320 VanDerWaalsContact CG-CB 3.43Å; N317-L320 WeakPolarHBondContact ND2-CB 3.29Å; N317-L320 PolarHBondContact O-N 3.44Å; N317-L320 PolarHBondContact OD1-N 2.89Å; L320-R323 PolarHBondContact O-N 2.81Å; L320-H324 PolarHBondContact O-CD2 3.08Å; L320-H324 VanDerWaalsContact O-CD2 3.24Å; L320-H324 PolarHBondContact O-N 3.08Å
321F69Low65.6Low48 Ų4876.6 Ų76.621%0.21138%0.379CS..Hα-helixtrans-62-47.1174.5176.6-94.9000112.6I288 F290 L316 N317 F318 H319 H324 S325I288-F321 HydrophobicContact CG2-CD2 4.28Å; I288-F321 HydrophobicContact CG2-CE2 3.93Å; I288-F321 HydrophobicContact CG2-CZ 4.43Å; F290-F321 HydrophobicContact CZ-CB 4.1Å; L316-F321 HydrophobicContact CD1-CD2 4.5Å; L316-F321 HydrophobicContact CD2-CB 3.88Å; L316-F321 HydrophobicContact CD2-CD1 4.23Å; L316-F321 HydrophobicContact CD2-CD2 4.18Å; L316-F321 HydrophobicContact CD2-CG 3.83Å; L316-F321 HydrophobicContact CG-CB 4.25Å; N317-F321 WeakPolarHBondContact O-CB 3.32Å; N317-F321 PolarHBondContact O-N 2.8Å; F318-F321 HydrophobicContact CD2-CD1 4.49Å; H319-F321 VanDerWaalsContact C-N 3.33Å; H319-F321 PolarHBondContact O-N 2.77Å; F321-H324 PolarHBondContact O-N 3.41Å; F321-S325 WeakPolarHBondContact O-CB 3.43Å; F321-S325 PolarHBondContact O-N 3.33Å; F321-S325 PolarHBondContact O-OG 3.09Å
322L68.5Low65.7Low74 Ų7472.9 Ų72.939%0.38737%0.367SS..Hα-helixtrans-62-44.4175.2-79179.6000111.4F318 H319 H324 S325 I326F318-L322 HydrophobicContact CD1-CD1 3.87Å; F318-L322 HydrophobicContact CD1-CG 4.32Å; F318-L322 HydrophobicContact CE1-CD1 3.38Å; F318-L322 HydrophobicContact CE1-CG 3.97Å; F318-L322 HydrophobicContact CE2-CD1 4.48Å; F318-L322 HydrophobicContact CE2-CD2 4.39Å; F318-L322 HydrophobicContact CE2-CG 4.19Å; F318-L322 HydrophobicContact CZ-CD1 3.74Å; F318-L322 HydrophobicContact CZ-CD2 4.08Å; F318-L322 HydrophobicContact CZ-CG 3.9Å; F318-L322 WeakPolarHBondContact O-CB 3.41Å; F318-L322 WeakPolarHBondContact O-CG 3.49Å; F318-L322 PolarHBondContact O-N 3.44Å; H319-L322 PolarHBondContact O-N 3.17Å; L322-H324 PolarHBondContact O-N 3.5Å; L322-S325 PolarHBondContact O-N 2.98Å; L322-I326 WeakPolarHBondContact O-CB 3.3Å; L322-I326 VanDerWaalsContact O-CG1 3.29Å; L322-I326 WeakPolarHBondContact O-CG1 3.43Å; L322-I326 PolarHBondContact O-N 3.35Å
323R66Low65.4Low98 Ų9875.3 Ų75.337%0.3737%0.374SS..Hα-helixtrans-56.5-50.7176.3176.8176164.4150.4-3.6111.3Y300 H319 L320 S325 I326 M327Y300-R323 PolarHBondContact O-NH2 2.94Å; H319-R323 WeakPolarHBondContact O-CB 3.09Å; H319-R323 PolarHBondContact O-N 3.16Å; L320-R323 PolarHBondContact O-N 2.81Å; R323-S325 VanDerWaalsContact C-N 3.33Å; R323-S325 PolarHBondContact O-N 3.39Å; R323-I326 PolarHBondContact O-N 3.39Å; R323-M327 HydrophobicContact CG-SD 4.16Å; R323-M327 VanDerWaalsContact O-CG 3.3Å; R323-M327 WeakPolarHBondContact O-CG 3.44Å; R323-M327 PolarHBondContact O-N 3.14Å
324H64.7Low65.3Low49 Ų4974.9 Ų74.923%0.22737%0.365CS..Hα-helixtrans-61.4-39.7175.8-83.3-71.3000112.8L320 F321 L322 M327 L328L320-H324 PolarHBondContact O-CD2 3.08Å; L320-H324 VanDerWaalsContact O-CD2 3.24Å; L320-H324 PolarHBondContact O-N 3.08Å; F321-H324 PolarHBondContact O-N 3.41Å; L322-H324 PolarHBondContact O-N 3.5Å; H324-M327 PolarHBondContact O-N 3.07Å; H324-L328 WeakPolarHBondContact O-CB 3.33Å; H324-L328 WeakPolarHBondContact O-CG 3.42Å; H324-L328 PolarHBondContact O-N 3.34Å
325S65.4Low65Low44 Ų4475.3 Ų75.331%0.30836%0.36SS..Hα-helixtrans-65.1-43.4179.7-59.10000111.8F321 L322 R323 L328 L329F321-S325 WeakPolarHBondContact O-CB 3.43Å; F321-S325 PolarHBondContact O-N 3.33Å; F321-S325 PolarHBondContact O-OG 3.09Å; L322-S325 PolarHBondContact O-N 2.98Å; R323-S325 VanDerWaalsContact C-N 3.33Å; R323-S325 PolarHBondContact O-N 3.39Å; S325-L328 PolarHBondContact O-N 2.82Å; S325-L329 WeakPolarHBondContact O-CB 3.24Å; S325-L329 PolarHBondContact O-N 3Å
326I65.7Low64.7Low90 Ų9077.1 Ų77.146%0.46236%0.364SS..Hα-helixtrans-63.9-44.2174.9-68164.3000110.7L322 R323 L329 Q330L322-I326 WeakPolarHBondContact O-CB 3.3Å; L322-I326 VanDerWaalsContact O-CG1 3.29Å; L322-I326 WeakPolarHBondContact O-CG1 3.43Å; L322-I326 PolarHBondContact O-N 3.35Å; R323-I326 PolarHBondContact O-N 3.39Å; I326-L329 PolarHBondContact O-N 3.37Å; I326-Q330 HydrophobicContact CG2-CG 4.42Å; I326-Q330 WeakPolarHBondContact O-CB 3.4Å; I326-Q330 VanDerWaalsContact O-CG 3.31Å; I326-Q330 WeakPolarHBondContact O-CG 3.31Å; I326-Q330 PolarHBondContact O-N 3.02Å
327M65Low63.7Low64 Ų6480.4 Ų80.432%0.31538%0.382SS..Hα-helixtrans-63.3-41.5177.4-71.4177.774.300112.3Y300 R323 H324 Q330 R331Y300-M327 HydrophobicContact CG-CE 4.37Å; R323-M327 HydrophobicContact CG-SD 4.16Å; R323-M327 VanDerWaalsContact O-CG 3.3Å; R323-M327 WeakPolarHBondContact O-CG 3.44Å; R323-M327 PolarHBondContact O-N 3.14Å; H324-M327 PolarHBondContact O-N 3.07Å; M327-Q330 PolarHBondContact O-N 3.08Å; M327-R331 WeakPolarHBondContact O-CB 3.25Å; M327-R331 PolarHBondContact O-N 3.34Å
328L67.4Low62.6Low30 Ų3083.9 Ų83.916%0.15741%0.405CS..Hα-helixtrans-61.5-45.5174.1-83.7167.3000111.6L291 I296 H324 S325 R331 A332 V367L291-L328 HydrophobicContact CD1-CD1 4.36Å; I296-L328 HydrophobicContact CD1-CD2 3.74Å; I296-L328 HydrophobicContact CD1-CG 4.25Å; H324-L328 WeakPolarHBondContact O-CB 3.33Å; H324-L328 WeakPolarHBondContact O-CG 3.42Å; H324-L328 PolarHBondContact O-N 3.34Å; S325-L328 PolarHBondContact O-N 2.82Å; L328-R331 PolarHBondContact O-N 3.15Å; L328-A332 WeakPolarHBondContact O-CB 3.12Å; L328-A332 PolarHBondContact O-N 3Å; L328-V367 HydrophobicContact CD1-CG1 3.72Å; L328-V367 HydrophobicContact CD2-CB 4.47Å; L328-V367 HydrophobicContact CD2-CG1 3.83Å; L328-V367 HydrophobicContact CG-CG1 4.46Å
329L65.9Low61.4Low84 Ų8483 Ų8344%0.4441%0.414SS..Hα-helixtrans-63.1-43.7177.7-17269.5000111.7S325 I326 R331 A332 F333S325-L329 WeakPolarHBondContact O-CB 3.24Å; S325-L329 PolarHBondContact O-N 3Å; I326-L329 PolarHBondContact O-N 3.37Å; L329-R331 PolarHBondContact O-N 3.5Å; L329-A332 WeakPolarHBondContact O-CB 3.49Å; L329-A332 PolarHBondContact O-N 2.87Å; L329-F333 HydrophobicContact CD1-CD2 4.46Å; L329-F333 HydrophobicContact CD1-CE2 3.91Å; L329-F333 HydrophobicContact CD1-CZ 4.27Å; L329-F333 HydrophobicContact CD2-CE2 3.89Å; L329-F333 HydrophobicContact CG-CD2 3.95Å; L329-F333 HydrophobicContact CG-CE2 3.54Å; L329-F333 HydrophobicContact CG-CZ 4.35Å; L329-F333 WeakPolarHBondContact O-CD2 3.39Å; L329-F333 PolarHBondContact O-N 3.45Å
330Q67.9Low59.9Low113 Ų11385.5 Ų85.553%0.52842%0.423SS..Hα-helixtrans-61.4-40.7174.2-74.1175.8-7.100112.3I326 M327 K334I326-Q330 HydrophobicContact CG2-CG 4.42Å; I326-Q330 WeakPolarHBondContact O-CB 3.4Å; I326-Q330 VanDerWaalsContact O-CG 3.31Å; I326-Q330 WeakPolarHBondContact O-CG 3.31Å; I326-Q330 PolarHBondContact O-N 3.02Å; M327-Q330 PolarHBondContact O-N 3.08Å; Q330-K334 WeakPolarHBondContact O-CG 3.21Å; Q330-K334 PolarHBondContact O-N 3.22Å
331R61.9Low58.4Low92 Ų9289.7 Ų89.735%0.34745%0.449SS..Hα-helixtrans-68.5-37.7176.4-164.3172.6-177.9-172.11.8111.5M327 L328 L329 K334 S335 S360 C364M327-R331 WeakPolarHBondContact O-CB 3.25Å; M327-R331 PolarHBondContact O-N 3.34Å; L328-R331 PolarHBondContact O-N 3.15Å; L329-R331 PolarHBondContact O-N 3.5Å; R331-K334 PolarHBondContact O-N 3.47Å; R331-S335 WeakPolarHBondContact O-CB 3.44Å; R331-S335 PolarHBondContact O-N 3.48Å; R331-S335 PolarHBondContact O-OG 3.17Å; R331-S360 PolarHBondContact NH2-OG 3.01Å; R331-S360 VanDerWaalsContact NH2-OG 3.08Å; R331-C364 VanDerWaalsContact CD-SG 3.57Å
332A61.7Low56.8Low28 Ų2894 Ų9423%0.23148%0.475CS..Hα-helixtrans-61.8-50.2173.300000111.4L328 L329 K334 S335 Y336L328-A332 WeakPolarHBondContact O-CB 3.12Å; L328-A332 PolarHBondContact O-N 3Å; L329-A332 WeakPolarHBondContact O-CB 3.49Å; L329-A332 PolarHBondContact O-N 2.87Å; A332-K334 PolarHBondContact O-N 2.91Å; A332-S335 WeakPolarHBondContact CA-OG 3.3Å; A332-S335 PolarHBondContact O-N 3.26Å; A332-S335 VanDerWaalsContact O-N 3.09Å; A332-S335 PolarHBondContact O-OG 3.37Å; A332-Y336 PolarHBondContact O-N 3.38Å
333F57.4Low55.4Low139 Ų13995.5 Ų95.561%0.6148%0.483SS*.Hα-helixtrans-57.2-46.1174.9-76.1-53.6000112.4L329 S335 Y336 N337L329-F333 HydrophobicContact CD1-CD2 4.46Å; L329-F333 HydrophobicContact CD1-CE2 3.91Å; L329-F333 HydrophobicContact CD1-CZ 4.27Å; L329-F333 HydrophobicContact CD2-CE2 3.89Å; L329-F333 HydrophobicContact CG-CD2 3.95Å; L329-F333 HydrophobicContact CG-CE2 3.54Å; L329-F333 HydrophobicContact CG-CZ 4.35Å; L329-F333 WeakPolarHBondContact O-CD2 3.39Å; L329-F333 PolarHBondContact O-N 3.45Å; F333-S335 VanDerWaalsContact C-N 3.3Å; F333-S335 PolarHBondContact O-N 3.02Å; F333-Y336 PolarHBondContact O-N 2.98Å; F333-N337 WeakPolarHBondContact O-CB 3.47Å; F333-N337 PolarHBondContact O-N 3.12Å
334K58.3Low54.1Low149 Ų149100.2 Ų100.265%0.64851%0.506SS*.Hα-helixtrans-59.7-39174.9-74.9-177.5177.8-173.40112.5Q330 R331 A332 Y336 N337Q330-K334 WeakPolarHBondContact O-CG 3.21Å; Q330-K334 PolarHBondContact O-N 3.22Å; R331-K334 PolarHBondContact O-N 3.47Å; A332-K334 PolarHBondContact O-N 2.91Å; K334-Y336 VanDerWaalsContact C-N 3.33Å; K334-Y336 PolarHBondContact O-N 3.49Å; K334-N337 PolarHBondContact O-N 2.91Å
335S57.9Low52.6Low59 Ų59104.7 Ų104.741%0.41353%0.525SS..Hα-helixtrans-71.9-23.7178.270.60000114.4R331 A332 F333 P338R331-S335 WeakPolarHBondContact O-CB 3.44Å; R331-S335 PolarHBondContact O-N 3.48Å; R331-S335 PolarHBondContact O-OG 3.17Å; A332-S335 WeakPolarHBondContact CA-OG 3.3Å; A332-S335 PolarHBondContact O-N 3.26Å; A332-S335 VanDerWaalsContact O-N 3.09Å; A332-S335 PolarHBondContact O-OG 3.37Å; F333-S335 VanDerWaalsContact C-N 3.3Å; F333-S335 PolarHBondContact O-N 3.02Å; S335-P338 VanDerWaalsContact O-CD 3.24Å; S335-P338 WeakPolarHBondContact O-CD 3.2Å
336Y52.6Low51.3Low178 Ų178109.1 Ų109.170%0.69854%0.539SS*.Hα-helixtrans-84.4-19.8176.3-151-90.3000112.8A332 F333 K334A332-Y336 PolarHBondContact O-N 3.38Å; F333-Y336 PolarHBondContact O-N 2.98Å; K334-Y336 VanDerWaalsContact C-N 3.33Å; K334-Y336 PolarHBondContact O-N 3.49Å
337N45.8Very low49.8Very low88 Ų88113.2 Ų113.247%0.47156%0.556SS.*  trans-10113.4-172-137.317000118.4F333 K334 S339 F340F333-N337 WeakPolarHBondContact O-CB 3.47Å; F333-N337 PolarHBondContact O-N 3.12Å; K334-N337 PolarHBondContact O-N 2.91Å; N337-S339 PolarHBondContact O-N 3.11Å; N337-F340 PolarHBondContact O-N 2.82Å
338P47.8Very low48.2Very low83 Ų83116.7 Ų116.754%0.53958%0.576SS.*G310 helixtrans-68.1-22.4177.829.9-34000112.8S335 F340 T341S335-P338 VanDerWaalsContact O-CD 3.24Å; S335-P338 WeakPolarHBondContact O-CD 3.2Å; P338-F340 VanDerWaalsContact C-N 3.3Å; P338-F340 PolarHBondContact O-N 3.2Å; P338-T341 PolarHBondContact O-OG1 3.37Å
339S42.2Very low46.7Very low104 Ų104118.6 Ų118.673%0.72759%0.591SS**G310 helixtrans-76.2-12.9178.5-50.10000114.3N337N337-S339 PolarHBondContact O-N 3.11Å
340F37.1Very low45.2Very low171 Ų171119.6 Ų119.675%0.7561%0.605SS**G310 helixtrans-123.822.2-178.7-71.5-77.4000112.9N337 P338 N342N337-F340 PolarHBondContact O-N 2.82Å; P338-F340 VanDerWaalsContact C-N 3.3Å; P338-F340 PolarHBondContact O-N 3.2Å; F340-N342 PolarHBondContact O-N 3.21Å
341T38.8Very low43.6Very low98 Ų98118.9 Ų118.960%0.60161%0.613SS**  trans-72.974.3170.355.70000111.2P338P338-T341 PolarHBondContact O-OG1 3.37Å
342N35.7Very low42.5Very low139 Ų139121.1 Ų121.174%0.74363%0.627SS**  trans-51.9139.4154.3-109.1-30.6000108.8F340 K344 F345F340-N342 PolarHBondContact O-N 3.21Å; N342-K344 PolarHBondContact O-N 3.47Å; N342-F345 PolarHBondContact O-N 3.33Å
343D39Very low41.1Very low105 Ų105125.7 Ų125.756%0.56164%0.642SS**G310 helixtrans-56.2-18.3-166.1-83.3-55.7000115.8F345 K346D343-F345 PolarHBondContact O-N 3.13Å; D343-F345 VanDerWaalsContact O-N 3.07Å; D343-K346 WeakPolarHBondContact O-CB 3.36Å; D343-K346 PolarHBondContact O-N 3.47Å; D343-K346 WeakPolarHBondContact OD1-CD 3.47Å; D343-K346 WeakPolarHBondContact OD1-CE 3.22Å; D343-K346 IonicContact OD1-NZ 3.87Å; D343-K346 PolarHBondContact OD1-NZ 2.93Å
344K38.7Very low40.1Very low197 Ų197125 Ų12586%0.85765%0.654SS**G310 helixtrans-63.3-9.2-179.8-76-170.4173.2-178.60115.9N342N342-K344 PolarHBondContact O-N 3.47Å
345F33.1Very low39Very low143 Ų143123.8 Ų123.863%0.62766%0.66SS**G310 helixtrans-95.10.6170-87-76.4000114.9N342 D343 E347 L348 S349N342-F345 PolarHBondContact O-N 3.33Å; D343-F345 PolarHBondContact O-N 3.13Å; D343-F345 VanDerWaalsContact O-N 3.07Å; F345-E347 PolarHBondContact O-N 3.39Å; F345-L348 HydrophobicContact CD1-CD1 4.33Å; F345-L348 HydrophobicContact CE1-CD1 4.34Å; F345-L348 PolarHBondContact O-N 2.95Å; F345-S349 PolarHBondContact O-OG 3.48Å
346K37.6Very low37.9Very low137 Ų137128.4 Ų128.460%0.59668%0.679SS**G310 helixtrans-62.7-27.4174.3-81.4176.8171.9162.90113.4D343 L348 S349 S350D343-K346 WeakPolarHBondContact O-CB 3.36Å; D343-K346 PolarHBondContact O-N 3.47Å; D343-K346 WeakPolarHBondContact OD1-CD 3.47Å; D343-K346 WeakPolarHBondContact OD1-CE 3.22Å; D343-K346 IonicContact OD1-NZ 3.87Å; D343-K346 PolarHBondContact OD1-NZ 2.93Å; K346-L348 VanDerWaalsContact C-N 3.27Å; K346-L348 PolarHBondContact O-N 3.47Å; K346-S349 WeakPolarHBondContact O-CA 3.33Å; K346-S349 WeakPolarHBondContact O-CB 3.14Å; K346-S349 PolarHBondContact O-N 3.2Å; K346-S350 PolarHBondContact O-N 2.9Å
347E33.3Very low37.1Very low177 Ų177125.1 Ų125.183%0.82767%0.674SS**G310 helixtrans-68.1-24.6-178.3-158.7165.8-145.800113.5F345F345-E347 PolarHBondContact O-N 3.39Å
348L32.8Very low37Very low137 Ų137128.9 Ų128.972%0.71769%0.688SS**G310 helixtrans-92.7-2.6169.6-90.6149.3000113.4F345 K346F345-L348 HydrophobicContact CD1-CD1 4.33Å; F345-L348 HydrophobicContact CE1-CD1 4.34Å; F345-L348 PolarHBondContact O-N 2.95Å; K346-L348 VanDerWaalsContact C-N 3.27Å; K346-L348 PolarHBondContact O-N 3.47Å
349S35.6Very low36.7Very low69 Ų69129.8 Ų129.848%0.48369%0.689SS.*THydrogen-bonded Turntrans-104.8-19.8-173.2-55.30000113.5F345 K346 S351F345-S349 PolarHBondContact O-OG 3.48Å; K346-S349 WeakPolarHBondContact O-CA 3.33Å; K346-S349 WeakPolarHBondContact O-CB 3.14Å; K346-S349 PolarHBondContact O-N 3.2Å; S349-S351 PolarHBondContact O-N 3.36Å
350S33.3Very low36.8Very low106 Ų106126 Ų12674%0.74166%0.662SS**THydrogen-bonded Turntrans-72.2-19.7-17156.30000115.2K346K346-S350 PolarHBondContact O-N 2.9Å
351S34.4Very low37.1Very low97 Ų97120.5 Ų120.568%0.67865%0.645SS**THydrogen-bonded Turntrans-97.1-26.2-168.162.70000116.7S349S349-S351 PolarHBondContact O-N 3.36Å
352Q38.9Very low37.6Very low140 Ų140118.7 Ų118.765%0.65464%0.636SS**THydrogen-bonded Turntrans-145.35.4-165.9-70.3-166.8-7.800119.2
353F33.6Very low38.2Very low123 Ų123115.3 Ų115.354%0.53962%0.618SS.*  trans-135.270.9-174.7-65.3-77.9000115.2Y300Y300-F353 WeakPolarHBondContact OH-CE1 3.3Å; Y300-F353 WeakPolarHBondContact OH-CZ 3.5Å
354S35.3Very low38.5Very low124 Ų124111 Ų11187%0.86760%0.596SS**  trans-89.90.4176.853.10000115.6
355T35.7Very low38.9Very low125 Ų125105.3 Ų105.377%0.76757%0.574SS**  trans-132.359.5-174.461.60000113.9N357T355-N357 PolarHBondContact O-N 2.91Å; T355-N357 VanDerWaalsContact O-N 3.12Å
356L34.7Very low40Very low156 Ų156102.5 Ų102.582%0.81757%0.569SS**  trans-8084.7170.5-174.566.9000110.7
357N36.7Very low40.5Very low109 Ų10996.9 Ų96.958%0.58355%0.546SS*.  trans-81.6137.2172.7-160.2-9000110.9T355 N359 S360T355-N357 PolarHBondContact O-N 2.91Å; T355-N357 VanDerWaalsContact O-N 3.12Å; N357-N359 PolarHBondContact O-N 3.19Å; N357-N359 VanDerWaalsContact O-N 3.09Å; N357-S360 WeakPolarHBondContact O-CB 3.43Å; N357-S360 PolarHBondContact O-N 3.29Å; N357-S360 VanDerWaalsContact O-N 3.1Å; N357-S360 PolarHBondContact O-OG 3.38Å
358Q42Very low41.2Very low166 Ų16693.2 Ų93.278%0.77653%0.528SS*.THydrogen-bonded Turntrans-60.9-24.9-165.6-68.2-168.4-3.400114.3S360 S361Q358-S360 PolarHBondContact O-N 2.89Å; Q358-S361 PolarHBondContact O-N 3.35Å; Q358-S361 PolarHBondContact O-OG 3.36Å
359N42.3Very low42Very low103 Ų10393 Ų9355%0.55152%0.521SS*.Hα-helixtrans-55.8-22.9175.8-56.2-6.2000113.1N357 S361 S362 D363N357-N359 PolarHBondContact O-N 3.19Å; N357-N359 VanDerWaalsContact O-N 3.09Å; N359-S361 VanDerWaalsContact C-N 3.26Å; N359-S361 PolarHBondContact O-N 3.05Å; N359-S362 PolarHBondContact O-N 3.15Å; N359-S362 PolarHBondContact O-OG 2.92Å; N359-D363 PolarHBondContact O-N 3.26Å
360S43.5Very low42.8Very low24 Ų2494.2 Ų94.217%0.16852%0.519CS..Hα-helixtrans-56.5-32.9179-65.30000114.6R331 N357 Q358 C364R331-S360 PolarHBondContact NH2-OG 3.01Å; R331-S360 VanDerWaalsContact NH2-OG 3.08Å; N357-S360 WeakPolarHBondContact O-CB 3.43Å; N357-S360 PolarHBondContact O-N 3.29Å; N357-S360 VanDerWaalsContact O-N 3.1Å; N357-S360 PolarHBondContact O-OG 3.38Å; Q358-S360 PolarHBondContact O-N 2.89Å; S360-C364 PolarHBondContact O-N 3.29Å; S360-C364 PolarHBondContact O-SG 2.89Å; S360-C364 VanDerWaalsContact O-SG 3.32Å
361S44.1Very low43.5Very low56 Ų5690.5 Ų90.539%0.39250%0.495SS..Hα-helixtrans-82.8-37.4-174.763.10000112.2Q358 N359 D363 C364 L365Q358-S361 PolarHBondContact O-N 3.35Å; Q358-S361 PolarHBondContact O-OG 3.36Å; N359-S361 VanDerWaalsContact C-N 3.26Å; N359-S361 PolarHBondContact O-N 3.05Å; S361-D363 VanDerWaalsContact C-N 3.31Å; S361-C364 PolarHBondContact O-N 2.87Å; S361-L365 WeakPolarHBondContact O-CB 3.29Å; S361-L365 PolarHBondContact O-N 2.86Å
362S48.7Very low44.1Very low59 Ų5986.5 Ų86.541%0.41347%0.466SS..Hα-helixtrans-64.7-37.2173.351.40000111.7N359 L365 T366N359-S362 PolarHBondContact O-N 3.15Å; N359-S362 PolarHBondContact O-OG 2.92Å; S362-L365 PolarHBondContact O-N 3.23Å; S362-T366 WeakPolarHBondContact O-CB 3.17Å; S362-T366 PolarHBondContact O-N 3.39Å; S362-T366 PolarHBondContact O-OG1 3.12Å
363D48.4Very low44.5Very low68 Ų6881.9 Ų81.936%0.36446%0.456SS..Hα-helixtrans-64.1-49.6176.2-68.9-5.2000110.7N359 S361 L365 T366 V367N359-D363 PolarHBondContact O-N 3.26Å; S361-D363 VanDerWaalsContact C-N 3.31Å; D363-L365 PolarHBondContact O-N 3.44Å; D363-T366 PolarHBondContact O-N 2.99Å; D363-V367 WeakPolarHBondContact O-CB 3.45Å; D363-V367 VanDerWaalsContact O-CG2 3.28Å; D363-V367 WeakPolarHBondContact O-CG2 3.42Å; D363-V367 PolarHBondContact O-N 2.94Å
364C45Very low45.1Very low14 Ų1478.9 Ų78.910%0.09544%0.444CS..Hα-helixtrans-56.3-45.8174.1-73.50000112.6R331 S360 S361 T366 V367 F368R331-C364 VanDerWaalsContact CD-SG 3.57Å; S360-C364 PolarHBondContact O-N 3.29Å; S360-C364 PolarHBondContact O-SG 2.89Å; S360-C364 VanDerWaalsContact O-SG 3.32Å; S361-C364 PolarHBondContact O-N 2.87Å; C364-T366 VanDerWaalsContact C-N 3.33Å; C364-T366 PolarHBondContact O-N 2.82Å; C364-V367 PolarHBondContact O-N 2.97Å; C364-F368 WeakPolarHBondContact O-CB 3.42Å; C364-F368 PolarHBondContact O-N 3.16Å
365L47.1Very low45.3Very low78 Ų7879 Ų7941%0.40843%0.429SS..Hα-helixtrans-64-36.3177.4-99.1161000112.7S361 S362 D363 K369S361-L365 WeakPolarHBondContact O-CB 3.29Å; S361-L365 PolarHBondContact O-N 2.86Å; S362-L365 PolarHBondContact O-N 3.23Å; D363-L365 PolarHBondContact O-N 3.44Å; L365-K369 WeakPolarHBondContact O-CB 3.2Å; L365-K369 WeakPolarHBondContact O-CG 3.19Å; L365-K369 PolarHBondContact O-N 2.75Å
366T56.3Low45.4Very low85 Ų8577.7 Ų77.752%0.52141%0.411SS..Hα-helixtrans-70.1-44.3177.7-58.30000110.8S362 D363 C364 F368 K369 Q370S362-T366 WeakPolarHBondContact O-CB 3.17Å; S362-T366 PolarHBondContact O-N 3.39Å; S362-T366 PolarHBondContact O-OG1 3.12Å; D363-T366 PolarHBondContact O-N 2.99Å; C364-T366 VanDerWaalsContact C-N 3.33Å; C364-T366 PolarHBondContact O-N 2.82Å; T366-F368 VanDerWaalsContact C-N 3.33Å; T366-F368 PolarHBondContact O-N 2.94Å; T366-K369 PolarHBondContact O-N 3.46Å; T366-Q370 WeakPolarHBondContact O-CB 3.29Å; T366-Q370 PolarHBondContact O-N 2.91Å
367V48.6Very low45.9Very low18 Ų1874.8 Ų74.811%0.10940%0.404CS..Hα-helixtrans-60.1-42.2173.6173.40000111L291 L328 D363 C364 Q370 A371L291-V367 HydrophobicContact CB-CG1 4.44Å; L291-V367 HydrophobicContact CD1-CG1 3.68Å; L291-V367 HydrophobicContact CG-CG1 4.5Å; L328-V367 HydrophobicContact CD1-CG1 3.72Å; L328-V367 HydrophobicContact CD2-CB 4.47Å; L328-V367 HydrophobicContact CD2-CG1 3.83Å; L328-V367 HydrophobicContact CG-CG1 4.46Å; D363-V367 WeakPolarHBondContact O-CB 3.45Å; D363-V367 VanDerWaalsContact O-CG2 3.28Å; D363-V367 WeakPolarHBondContact O-CG2 3.42Å; D363-V367 PolarHBondContact O-N 2.94Å; C364-V367 PolarHBondContact O-N 2.97Å; V367-Q370 PolarHBondContact O-N 3.43Å; V367-A371 WeakPolarHBondContact O-CB 3.28Å; V367-A371 PolarHBondContact O-N 3.4Å
368F47.6Very low46.1Very low100 Ų10074.5 Ų74.544%0.43940%0.399SS..Hα-helixtrans-65-46.8176.4-146.8-84.1000111.8C364 T366 Q370 A371 V372C364-F368 WeakPolarHBondContact O-CB 3.42Å; C364-F368 PolarHBondContact O-N 3.16Å; T366-F368 VanDerWaalsContact C-N 3.33Å; T366-F368 PolarHBondContact O-N 2.94Å; F368-Q370 VanDerWaalsContact C-N 3.31Å; F368-Q370 PolarHBondContact O-N 3.37Å; F368-A371 PolarHBondContact O-N 3.37Å; F368-V372 HydrophobicContact CD1-CG2 4Å; F368-V372 HydrophobicContact CE1-CG2 4.05Å; F368-V372 WeakPolarHBondContact O-CG2 3.38Å; F368-V372 PolarHBondContact O-N 3.08Å
369K50.6Low45.7Very low132 Ų13270.2 Ų70.257%0.57438%0.384SS*.Hα-helixtrans-58.2-41.5174.5-78.7177.9175-173.90112.4L365 T366 V372 G373L365-K369 WeakPolarHBondContact O-CB 3.2Å; L365-K369 WeakPolarHBondContact O-CG 3.19Å; L365-K369 PolarHBondContact O-N 2.75Å; T366-K369 PolarHBondContact O-N 3.46Å; K369-V372 PolarHBondContact O-N 3.43Å; K369-G373 PolarHBondContact O-N 3.11Å
370Q52.9Low45.1Very low95 Ų9570.8 Ų70.844%0.44440%0.396SS..Hα-helixtrans-69.9-39.3-179.8-164.2178.532.100111.9L291 T366 V367 F368 Q374L291-Q370 HydrophobicContact CD2-CB 4.33Å; L291-Q370 HydrophobicContact CD2-CG 4.36Å; T366-Q370 WeakPolarHBondContact O-CB 3.29Å; T366-Q370 PolarHBondContact O-N 2.91Å; V367-Q370 PolarHBondContact O-N 3.43Å; F368-Q370 VanDerWaalsContact C-N 3.31Å; F368-Q370 PolarHBondContact O-N 3.37Å; Q370-Q374 PolarHBondContact O-N 3.17Å
371A47.5Very low44.8Very low28 Ų2874.6 Ų74.623%0.23141%0.413CS..Hα-helixtrans-59.8-48.4172.700000111.2L291 V367 F368 Q374 F375L291-A371 HydrophobicContact CD1-CB 3.97Å; L291-A371 HydrophobicContact CD2-CB 4.18Å; V367-A371 WeakPolarHBondContact O-CB 3.28Å; V367-A371 PolarHBondContact O-N 3.4Å; F368-A371 PolarHBondContact O-N 3.37Å; A371-Q374 PolarHBondContact O-N 3.01Å; A371-F375 VanDerWaalsContact O-CD2 3.29Å; A371-F375 WeakPolarHBondContact O-CD2 3.35Å
372V46.6Very low44.1Very low13 Ų1377.9 Ų77.98%0.07943%0.427CS..Hα-helixtrans-73.1-33.2-177.9-170.20000113L267 I271 F368 K369 Q374 F375 Y376L267-V372 HydrophobicContact CD1-CG1 3.56Å; L267-V372 HydrophobicContact CD2-CB 4.09Å; L267-V372 HydrophobicContact CD2-CG1 3.49Å; L267-V372 VanDerWaalsContact CD2-CG1 3.49Å; L267-V372 HydrophobicContact CG-CG1 3.5Å; I271-V372 HydrophobicContact CD1-CG1 3.78Å; I271-V372 HydrophobicContact CD1-CG2 4.36Å; F368-V372 HydrophobicContact CD1-CG2 4Å; F368-V372 HydrophobicContact CE1-CG2 4.05Å; F368-V372 WeakPolarHBondContact O-CG2 3.38Å; F368-V372 PolarHBondContact O-N 3.08Å; K369-V372 PolarHBondContact O-N 3.43Å; V372-Q374 PolarHBondContact O-N 2.87Å; V372-F375 PolarHBondContact O-N 3.28Å; V372-Y376 PolarHBondContact O-N 3.43Å
373G46.4Very low43.9Very low43 Ų4379.7 Ų79.744%0.44344%0.439SS..Hα-helixtrans-57.6-33.3173.600000113.4K369 Y376 S377K369-G373 PolarHBondContact O-N 3.11Å; G373-Y376 PolarHBondContact O-N 3.44Å; G373-S377 PolarHBondContact O-N 3.36Å
374Q47.6Very low43.5Very low61 Ų6182.5 Ų82.529%0.28545%0.454SS..Hα-helixtrans-68.5-35.6175.2-69.9-168.813.200112.9Q370 A371 V372 S377Q370-Q374 PolarHBondContact O-N 3.17Å; A371-Q374 PolarHBondContact O-N 3.01Å; V372-Q374 PolarHBondContact O-N 2.87Å; Q374-S377 PolarHBondContact O-OG 2.97Å
375F39.1Very low42.9Very low126 Ų12690 Ų9055%0.55349%0.486SS*.Hα-helixtrans-65-41.9174.8-72.9-78.5000111.9A371 V372 Q378A371-F375 VanDerWaalsContact O-CD2 3.29Å; A371-F375 WeakPolarHBondContact O-CD2 3.35Å; V372-F375 PolarHBondContact O-N 3.28Å; F375-Q378 PolarHBondContact O-N 2.92Å
376Y38Very low42.9Very low98 Ų9890.5 Ų90.538%0.38450%0.495SS..Hα-helixtrans-74.7-25.1-178.6-99.4-103.9000114.8L267 N270 V372 G373 Q378 T379 I381L267-Y376 HydrophobicContact CD1-CD2 3.46Å; L267-Y376 VanDerWaalsContact CD1-CD2 3.46Å; L267-Y376 HydrophobicContact CD1-CE2 3.08Å; L267-Y376 HydrophobicContact CD1-CG 4.32Å; N270-Y376 PolarHBondContact ND2-OH 2.65Å; V372-Y376 PolarHBondContact O-N 3.43Å; G373-Y376 PolarHBondContact O-N 3.44Å; Y376-Q378 PolarHBondContact O-N 3.41Å; Y376-Q378 VanDerWaalsContact O-N 3.09Å; Y376-T379 PolarHBondContact O-OG1 3.01Å; Y376-I381 HydrophobicContact CE1-CD1 4.26Å
377S44.7Very low42.4Very low95 Ų9590.7 Ų90.766%0.66450%0.497SS*.THydrogen-bonded Turntrans-66.6-4.7172.566.40000114.5G373 Q374G373-S377 PolarHBondContact O-N 3.36Å; Q374-S377 PolarHBondContact O-OG 2.97Å
378Q41.8Very low42Very low103 Ų10396 Ų9648%0.48152%0.52SS..THydrogen-bonded Turntrans-119.3-9.3-173.2-60.9-177.329.800113.9F375 Y376 S380F375-Q378 PolarHBondContact O-N 2.92Å; Y376-Q378 PolarHBondContact O-N 3.41Å; Y376-Q378 VanDerWaalsContact O-N 3.09Å; Q378-S380 PolarHBondContact O-N 3.49Å
379T32.6Very low42.4Very low76 Ų7695 Ų9547%0.46653%0.525SS..  trans-91.196.4174.140.70000110.2Y376 I381Y376-T379 PolarHBondContact O-OG1 3.01Å; T379-I381 PolarHBondContact O-N 2.92Å
380S30.4Very low43Very low114 Ų11490.3 Ų90.380%0.79752%0.515SS*.  trans-64.287.9157.1179.10000107.8Q378 D382Q378-S380 PolarHBondContact O-N 3.49Å; S380-D382 PolarHBondContact O-N 3.38Å; S380-D382 VanDerWaalsContact O-N 3.15Å
381I36.2Very low43.8Very low105 Ų10593 Ų9354%0.53853%0.525SS..  trans-73.3106.2177.5-63.8172.6000107.3Y376 T379 S383Y376-I381 HydrophobicContact CE1-CD1 4.26Å; T379-I381 PolarHBondContact O-N 2.92Å; I381-S383 PolarHBondContact O-N 2.85Å; I381-S383 VanDerWaalsContact O-N 3.08Å
382D30.6Very low44.7Very low125 Ų12595.3 Ų95.367%0.66853%0.531SS*.  trans-51.6117165.6-75.7-42.6000108.8S380 N384 F385S380-D382 PolarHBondContact O-N 3.38Å; S380-D382 VanDerWaalsContact O-N 3.15Å; D382-N384 PolarHBondContact O-N 3.4Å; D382-F385 PolarHBondContact O-N 2.84Å
383S43.4Very low45.5Very low96 Ų9699.2 Ų99.267%0.67155%0.551SS**THydrogen-bonded Turntrans-63.8-0-164.753.10000115.5I381I381-S383 PolarHBondContact O-N 2.85Å; I381-S383 VanDerWaalsContact O-N 3.08Å
384N40.6Very low46.9Very low128 Ų128100.6 Ų100.668%0.68455%0.553SS**THydrogen-bonded Turntrans-85.8-27.6-173.8-64-15.5000113D382 S386 T387D382-N384 PolarHBondContact O-N 3.4Å; N384-S386 VanDerWaalsContact C-N 3.35Å; N384-S386 PolarHBondContact O-N 3.38Å; N384-T387 PolarHBondContact O-OG1 3.43Å
385F33Very low48.4Very low172 Ų172105 Ų10575%0.75457%0.567SS**THydrogen-bonded Turntrans-76.6-15.9-178.6-95.5-81.4000114.8D382 T387D382-F385 PolarHBondContact O-N 2.84Å; F385-T387 PolarHBondContact O-N 3.05Å
386S45.9Very low50.3Low87 Ų87103.3 Ų103.361%0.60856%0.563SS**Hα-helixtrans-67.4-17.6-178.5-173.90000114.4N384N384-S386 VanDerWaalsContact C-N 3.35Å; N384-S386 PolarHBondContact O-N 3.38Å
387T46Very low52.1Low90 Ų90103 Ų10355%0.55257%0.566SS**Hα-helixtrans-89.4-24.4-170.661.60000114.3N384 F385 K391N384-T387 PolarHBondContact O-OG1 3.43Å; F385-T387 PolarHBondContact O-N 3.05Å; T387-K391 WeakPolarHBondContact O-CD 3.41Å; T387-K391 WeakPolarHBondContact O-CG 3.26Å
388H41.8Very low54Low128 Ų128103.9 Ų103.959%0.59356%0.564SS**Hα-helixtrans-87.6-42.5-174.5-153.1-36.3000112.6K391 E392H388-K391 PolarHBondContact O-N 3.37Å; H388-E392 PolarHBondContact O-N 3.38Å
389S55.1Low56Low80 Ų80104.5 Ų104.556%0.55957%0.567SS**Hα-helixtrans-67.5-38.7177.1540000112.4K391 E392 L393S389-K391 VanDerWaalsContact C-N 3.32Å; S389-K391 PolarHBondContact O-N 2.65Å; S389-E392 PolarHBondContact O-N 2.84Å; S389-L393 PolarHBondContact O-N 2.9Å
390G62.1Low58Low34 Ų34106.1 Ų106.135%0.35157%0.57SS.*Hα-helixtrans-61.8-37.4174.600000113.2C394G390-C394 WeakPolarHBondContact O-CB 3.4Å; G390-C394 PolarHBondContact O-N 3.44Å; G390-C394 PolarHBondContact O-SG 2.88Å
391K69.9Low60.7Low150 Ų150105.7 Ų105.765%0.65256%0.556SS**Hα-helixtrans-67.1-42.7174.9-76.6175.4-179.3179.50112.2T387 H388 S389 C394 R395T387-K391 WeakPolarHBondContact O-CD 3.41Å; T387-K391 WeakPolarHBondContact O-CG 3.26Å; H388-K391 PolarHBondContact O-N 3.37Å; S389-K391 VanDerWaalsContact C-N 3.32Å; S389-K391 PolarHBondContact O-N 2.65Å; K391-C394 PolarHBondContact O-N 3.08Å; K391-R395 WeakPolarHBondContact O-CB 3.49Å; K391-R395 PolarHBondContact O-N 3.02Å
392E66.4Low63.1Low77 Ų77104.4 Ų104.436%0.3656%0.556SS.*Hα-helixtrans-65.4-41.8176.8-73.2-56.4145.800112.4H388 S389 C394 R395 L396H388-E392 PolarHBondContact O-N 3.38Å; S389-E392 PolarHBondContact O-N 2.84Å; E392-C394 PolarHBondContact O-N 3.03Å; E392-R395 WeakPolarHBondContact O-CB 3.17Å; E392-R395 PolarHBondContact O-N 2.95Å; E392-R395 IonicContact OE1-CZ 3.54Å; E392-R395 IonicContact OE1-NE 2.6Å; E392-R395 IonicContact OE1-NH2 3.91Å; E392-R395 IonicContact OE2-CZ 3.99Å; E392-R395 IonicContact OE2-NE 2.59Å; E392-R395 PolarHBondContact OE2-NE 3.31Å; E392-R395 IonicContact OE2-NH2 3.68Å; E392-R395 PolarHBondContact OE2-NH2 2.97Å; E392-L396 PolarHBondContact O-N 2.83Å
393L65Low65.8Low95 Ų95102 Ų10250%0.49755%0.546SS..Hα-helixtrans-64.2-40.5175.4-169.669.8000111.9S389 L396 M397S389-L393 PolarHBondContact O-N 2.9Å; L393-L396 PolarHBondContact O-N 3.27Å; L393-M397 WeakPolarHBondContact O-CB 3.5Å; L393-M397 WeakPolarHBondContact O-CG 3.15Å; L393-M397 PolarHBondContact O-N 3.49Å
394C74.6Confident67.7Low73 Ų73101.1 Ų101.149%0.49353%0.533SS..Hα-helixtrans-64.7-37.6173-740000112.4G390 K391 E392 M397 N398G390-C394 WeakPolarHBondContact O-CB 3.4Å; G390-C394 PolarHBondContact O-N 3.44Å; G390-C394 PolarHBondContact O-SG 2.88Å; K391-C394 PolarHBondContact O-N 3.08Å; E392-C394 PolarHBondContact O-N 3.03Å; C394-M397 PolarHBondContact O-N 3.37Å; C394-N398 WeakPolarHBondContact O-CB 3.35Å; C394-N398 PolarHBondContact O-N 2.81Å; C394-N398 PolarHBondContact O-ND2 3.38Å; C394-N398 PolarHBondContact O-OD1 3.01Å
395R79.8Confident70Confident152 Ų15299.5 Ų99.557%0.57452%0.524SS*.Hα-helixtrans-60.9-51.9174.4-176.4170.772.2128-1.4110.7K391 E392 M397 N398 E399K391-R395 WeakPolarHBondContact O-CB 3.49Å; K391-R395 PolarHBondContact O-N 3.02Å; E392-R395 WeakPolarHBondContact O-CB 3.17Å; E392-R395 PolarHBondContact O-N 2.95Å; E392-R395 IonicContact OE1-CZ 3.54Å; E392-R395 IonicContact OE1-NE 2.6Å; E392-R395 IonicContact OE1-NH2 3.91Å; E392-R395 IonicContact OE2-CZ 3.99Å; E392-R395 IonicContact OE2-NE 2.59Å; E392-R395 PolarHBondContact OE2-NE 3.31Å; E392-R395 IonicContact OE2-NH2 3.68Å; E392-R395 PolarHBondContact OE2-NH2 2.97Å; R395-M397 PolarHBondContact O-N 2.82Å; R395-N398 PolarHBondContact O-N 3.3Å; R395-E399 WeakPolarHBondContact O-CB 2.91Å; R395-E399 PolarHBondContact O-N 3.23Å
396L77.8Confident72.8Confident92 Ų9297.2 Ų97.248%0.48251%0.514SS..Hα-helixtrans-61.2-42.2178.2-172.968.4000112.1E392 L393 N398 E399 M400E392-L396 PolarHBondContact O-N 2.83Å; L393-L396 PolarHBondContact O-N 3.27Å; L396-N398 VanDerWaalsContact C-N 3.33Å; L396-N398 PolarHBondContact O-N 3.47Å; L396-E399 PolarHBondContact O-N 3.47Å; L396-M400 HydrophobicContact CG-SD 4.49Å; L396-M400 WeakPolarHBondContact O-CB 3.13Å; L396-M400 VanDerWaalsContact O-CG 3.32Å; L396-M400 WeakPolarHBondContact O-CG 3.46Å; L396-M400 PolarHBondContact O-N 2.92Å
397M75.8Confident74.6Confident91 Ų9197.8 Ų97.845%0.44851%0.51SS..Hα-helixtrans-61.3-38.8175.8-82.5-174.55600112.9L393 C394 R395 H401L393-M397 WeakPolarHBondContact O-CB 3.5Å; L393-M397 WeakPolarHBondContact O-CG 3.15Å; L393-M397 PolarHBondContact O-N 3.49Å; C394-M397 PolarHBondContact O-N 3.37Å; R395-M397 PolarHBondContact O-N 2.82Å; M397-H401 PolarHBondContact O-N 2.98Å; M397-H401 VanDerWaalsContact O-N 3.08Å; M397-H401 PolarHBondContact O-ND1 3.35Å
398N84.6Confident76.4Confident114 Ų11499.4 Ų99.461%0.6151%0.511SS*.Hα-helixtrans-71.6-38.8177.5-69.2-12.4000111.6C394 R395 L396 H401 S402C394-N398 WeakPolarHBondContact O-CB 3.35Å; C394-N398 PolarHBondContact O-N 2.81Å; C394-N398 PolarHBondContact O-ND2 3.38Å; C394-N398 PolarHBondContact O-OD1 3.01Å; R395-N398 PolarHBondContact O-N 3.3Å; L396-N398 VanDerWaalsContact C-N 3.33Å; L396-N398 PolarHBondContact O-N 3.47Å; N398-H401 PolarHBondContact O-N 3.07Å; N398-S402 WeakPolarHBondContact O-CB 3.35Å; N398-S402 PolarHBondContact O-N 3.32Å
399E84.9Confident78.6Confident116 Ų116100.5 Ų100.554%0.54251%0.514SS..Hα-helixtrans-65.6-40.3176.2-168.9166.7-153.200111.9R395 L396 T403R395-E399 WeakPolarHBondContact O-CB 2.91Å; R395-E399 PolarHBondContact O-N 3.23Å; L396-E399 PolarHBondContact O-N 3.47Å; E399-T403 WeakPolarHBondContact O-CB 3.38Å; E399-T403 PolarHBondContact O-N 2.93Å; E399-T403 PolarHBondContact O-OG1 3.21Å
400M73.7Confident79.9Confident110 Ų110100.5 Ų100.554%0.54251%0.505SS..Hα-helixtrans-62.9-44.1170.9-73.4-177.971.400112.6L396 T403 I404L396-M400 HydrophobicContact CG-SD 4.49Å; L396-M400 WeakPolarHBondContact O-CB 3.13Å; L396-M400 VanDerWaalsContact O-CG 3.32Å; L396-M400 WeakPolarHBondContact O-CG 3.46Å; L396-M400 PolarHBondContact O-N 2.92Å; M400-T403 PolarHBondContact O-N 3.46Å; M400-I404 VanDerWaalsContact O-CG1 3.28Å; M400-I404 WeakPolarHBondContact O-CG1 3.37Å; M400-I404 PolarHBondContact O-N 3.35Å
401H87.4Confident81Confident105 Ų105104.7 Ų104.749%0.48652%0.519SS..Hα-helixtrans-63.1-47.7176.1-81.678000111.4M397 N398 T403 I404 D405M397-H401 PolarHBondContact O-N 2.98Å; M397-H401 VanDerWaalsContact O-N 3.08Å; M397-H401 PolarHBondContact O-ND1 3.35Å; N398-H401 PolarHBondContact O-N 3.07Å; H401-T403 PolarHBondContact O-N 2.85Å; H401-I404 PolarHBondContact O-N 3.24Å; H401-D405 VanDerWaalsContact O-CG 3.26Å; H401-D405 PolarHBondContact O-N 2.98Å
402S87Confident81.7Confident78 Ų78104.7 Ų104.755%0.54552%0.519SS..Hα-helixtrans-55.3-39.9176.1-175.60000112.5N398 K406N398-S402 WeakPolarHBondContact O-CB 3.35Å; N398-S402 PolarHBondContact O-N 3.32Å; S402-K406 VanDerWaalsContact O-CB 3.3Å; S402-K406 WeakPolarHBondContact O-CB 3.25Å; S402-K406 PolarHBondContact O-N 2.89Å
403T86.4Confident82.3Confident74 Ų74104.3 Ų104.345%0.45452%0.519SS..Hα-helixtrans-69.5-40.8176.8-56.40000112E399 M400 H401 L407E399-T403 WeakPolarHBondContact O-CB 3.38Å; E399-T403 PolarHBondContact O-N 2.93Å; E399-T403 PolarHBondContact O-OG1 3.21Å; M400-T403 PolarHBondContact O-N 3.46Å; H401-T403 PolarHBondContact O-N 2.85Å; T403-L407 HydrophobicContact CG2-CD1 4.09Å; T403-L407 WeakPolarHBondContact O-CB 3.49Å; T403-L407 VanDerWaalsContact O-CG 3.28Å; T403-L407 WeakPolarHBondContact O-CG 3.29Å; T403-L407 PolarHBondContact O-N 3.49Å
404I84.1Confident83Confident78 Ų78104.1 Ų104.140%0.452%0.516SS..Hα-helixtrans-63.6-45.9175.2-70.5164.2000110.7M400 H401 K406 L407 Q408M400-I404 VanDerWaalsContact O-CG1 3.28Å; M400-I404 WeakPolarHBondContact O-CG1 3.37Å; M400-I404 PolarHBondContact O-N 3.35Å; H401-I404 PolarHBondContact O-N 3.24Å; I404-K406 PolarHBondContact O-N 3.21Å; I404-L407 PolarHBondContact O-N 2.94Å; I404-Q408 WeakPolarHBondContact O-CG 3.38Å; I404-Q408 PolarHBondContact O-N 2.91Å
405D88.6Confident83.1Confident93 Ų93109.9 Ų109.950%0.49753%0.527SS..Hα-helixtrans-64.8-40.4-179.9-64.3-23.9000110.9H401 Q408 F409H401-D405 VanDerWaalsContact O-CG 3.26Å; H401-D405 PolarHBondContact O-N 2.98Å; D405-Q408 PolarHBondContact O-N 3.41Å; D405-F409 PolarHBondContact O-N 2.93Å
406K91.1Very high83Confident124 Ų124106.5 Ų106.554%0.53952%0.52SS..Hα-helixtrans-61.1-47.9172.9-177.6176.5-177.9-78.70112.2S402 I404 Q408 F409 E410S402-K406 VanDerWaalsContact O-CB 3.3Å; S402-K406 WeakPolarHBondContact O-CB 3.25Å; S402-K406 PolarHBondContact O-N 2.89Å; I404-K406 PolarHBondContact O-N 3.21Å; K406-Q408 VanDerWaalsContact C-N 3.33Å; K406-Q408 PolarHBondContact O-N 3.18Å; K406-F409 WeakPolarHBondContact O-CB 3.38Å; K406-F409 PolarHBondContact O-N 3.08Å; K406-E410 WeakPolarHBondContact CE-OE1 2.77Å; K406-E410 IonicContact NZ-OE1 2.75Å; K406-E410 PolarHBondContact NZ-OE1 3.12Å; K406-E410 IonicContact NZ-OE2 2.68Å; K406-E410 WeakPolarHBondContact O-CG 3.45Å; K406-E410 PolarHBondContact O-N 2.88Å
407L84Confident82.6Confident100 Ų100107 Ų10752%0.52452%0.516SS..Hα-helixtrans-65.4-35.5178.8-72.9170000112.2T403 I404 F409 L411T403-L407 HydrophobicContact CG2-CD1 4.09Å; T403-L407 WeakPolarHBondContact O-CB 3.49Å; T403-L407 VanDerWaalsContact O-CG 3.28Å; T403-L407 WeakPolarHBondContact O-CG 3.29Å; T403-L407 PolarHBondContact O-N 3.49Å; I404-L407 PolarHBondContact O-N 2.94Å; L407-F409 VanDerWaalsContact C-N 3.34Å; L407-L411 VanDerWaalsContact O-CB 3.26Å; L407-L411 WeakPolarHBondContact O-CB 3.42Å; L407-L411 PolarHBondContact O-N 3.48Å
408Q84.1Confident82.1Confident124 Ų124107.1 Ų107.158%0.57952%0.515SS*.Hα-helixtrans-66.2-36.4172.9-74.618014.100112.2I404 D405 K406 K412I404-Q408 WeakPolarHBondContact O-CG 3.38Å; I404-Q408 PolarHBondContact O-N 2.91Å; D405-Q408 PolarHBondContact O-N 3.41Å; K406-Q408 VanDerWaalsContact C-N 3.33Å; K406-Q408 PolarHBondContact O-N 3.18Å; Q408-K412 WeakPolarHBondContact O-CB 3.49Å; Q408-K412 PolarHBondContact O-N 3.26Å; Q408-K412 VanDerWaalsContact O-N 3.15Å
409F87.4Confident80.9Confident151 Ų151104.2 Ų104.266%0.66250%0.504SS*.Hα-helixtrans-68.3-47.2173.9-174-89.8000111.8D405 K406 L407 L411 K412 D413D405-F409 PolarHBondContact O-N 2.93Å; K406-F409 WeakPolarHBondContact O-CB 3.38Å; K406-F409 PolarHBondContact O-N 3.08Å; L407-F409 VanDerWaalsContact C-N 3.34Å; F409-L411 PolarHBondContact O-N 2.61Å; F409-K412 PolarHBondContact O-N 2.66Å; F409-K412 VanDerWaalsContact O-N 3.16Å; F409-D413 PolarHBondContact O-N 2.99Å
410E84.3Confident79.5Confident79 Ų79104 Ų10437%0.36950%0.503SS..Hα-helixtrans-59.7-45.9177.4-74.5174.6168.400111.8K406 K412 D413 E414K406-E410 WeakPolarHBondContact CE-OE1 2.77Å; K406-E410 IonicContact NZ-OE1 2.75Å; K406-E410 PolarHBondContact NZ-OE1 3.12Å; K406-E410 IonicContact NZ-OE2 2.68Å; K406-E410 WeakPolarHBondContact O-CG 3.45Å; K406-E410 PolarHBondContact O-N 2.88Å; E410-K412 VanDerWaalsContact C-N 3.29Å; E410-K412 PolarHBondContact O-N 3.06Å; E410-D413 PolarHBondContact O-N 3.12Å; E410-E414 WeakPolarHBondContact O-CB 3.25Å; E410-E414 PolarHBondContact O-N 2.76Å
411L84Confident78.5Confident123 Ų123103.9 Ų103.964%0.64450%0.503SS*.Hα-helixtrans-61.3-36.8175.6-176.767.1000112.3L407 F409 W415L407-L411 VanDerWaalsContact O-CB 3.26Å; L407-L411 WeakPolarHBondContact O-CB 3.42Å; L407-L411 PolarHBondContact O-N 3.48Å; F409-L411 PolarHBondContact O-N 2.61Å; L411-W415 WeakPolarHBondContact O-CB 3Å; L411-W415 PolarHBondContact O-N 2.88Å
412K85.1Confident76.7Confident150 Ų150105.3 Ų105.365%0.65252%0.515SS*.Hα-helixtrans-71.2-38.4178.2-172.6179.7179.9-1760112.1Q408 F409 E410 L416Q408-K412 WeakPolarHBondContact O-CB 3.49Å; Q408-K412 PolarHBondContact O-N 3.26Å; Q408-K412 VanDerWaalsContact O-N 3.15Å; F409-K412 PolarHBondContact O-N 2.66Å; F409-K412 VanDerWaalsContact O-N 3.16Å; E410-K412 VanDerWaalsContact C-N 3.29Å; E410-K412 PolarHBondContact O-N 3.06Å; K412-L416 PolarHBondContact O-N 3.21Å; K412-L416 VanDerWaalsContact O-N 3.08Å
413D79.6Confident74.7Confident69 Ų69105.7 Ų105.737%0.36952%0.517SS..Hα-helixtrans-69.4-43.5174.9-167.967.1000111.3F409 E410 W415 L416 R417F409-D413 PolarHBondContact O-N 2.99Å; E410-D413 PolarHBondContact O-N 3.12Å; D413-W415 VanDerWaalsContact C-N 3.33Å; D413-W415 PolarHBondContact O-N 2.87Å; D413-L416 WeakPolarHBondContact O-CA 3.28Å; D413-L416 WeakPolarHBondContact O-CB 3.41Å; D413-L416 PolarHBondContact O-N 2.7Å; D413-L416 VanDerWaalsContact O-N 3.09Å; D413-R417 WeakPolarHBondContact O-CG 3.44Å; D413-R417 PolarHBondContact O-N 3.25Å; D413-R417 IonicContact OD2-CZ 2.85Å; D413-R417 IonicContact OD2-NH1 4Å; D413-R417 PolarHBondContact OD2-NH1 3.16Å
414E80Confident72.2Confident91 Ų91110.2 Ų110.243%0.42553%0.531SS..Hα-helixtrans-51.4-51.1171.2-167.395.9-111.600111.4E410 L416 R417 E418E410-E414 WeakPolarHBondContact O-CB 3.25Å; E410-E414 PolarHBondContact O-N 2.76Å; E414-L416 VanDerWaalsContact C-N 3.3Å; E414-L416 PolarHBondContact O-N 2.96Å; E414-R417 PolarHBondContact O-N 2.97Å; E414-R417 IonicContact OE1-CZ 3.72Å; E414-R417 IonicContact OE1-NH2 2.66Å; E414-R417 PolarHBondContact OE1-NH2 3.27Å; E414-R417 IonicContact OE2-NH2 3.46Å; E414-R417 PolarHBondContact OE2-NH2 2.82Å; E414-E418 PolarHBondContact O-N 3.38Å
415W75.7Confident69.6Low193 Ų193114 Ų11473%0.73155%0.551SS**Hα-helixtrans-62.6-36.2178.6-160.483.3000112.5L411 D413 S419L411-W415 WeakPolarHBondContact O-CB 3Å; L411-W415 PolarHBondContact O-N 2.88Å; D413-W415 VanDerWaalsContact C-N 3.33Å; D413-W415 PolarHBondContact O-N 2.87Å; W415-S419 WeakPolarHBondContact O-CB 3.46Å; W415-S419 PolarHBondContact O-N 2.89Å
416L76.7Confident66.9Low81 Ų81114 Ų11442%0.42456%0.556SS.*Hα-helixtrans-65.5-48173.6-135.279.1000111.3K412 D413 E414 E418 S419 H420K412-L416 PolarHBondContact O-N 3.21Å; K412-L416 VanDerWaalsContact O-N 3.08Å; D413-L416 WeakPolarHBondContact O-CA 3.28Å; D413-L416 WeakPolarHBondContact O-CB 3.41Å; D413-L416 PolarHBondContact O-N 2.7Å; D413-L416 VanDerWaalsContact O-N 3.09Å; E414-L416 VanDerWaalsContact C-N 3.3Å; E414-L416 PolarHBondContact O-N 2.96Å; L416-E418 PolarHBondContact O-N 3.41Å; L416-S419 PolarHBondContact O-N 3.44Å; L416-S419 PolarHBondContact O-OG 3.41Å; L416-H420 PolarHBondContact O-CD2 3.39Å; L416-H420 PolarHBondContact O-N 3.01Å
417R70.1Confident63.8Low104 Ų104117.3 Ų117.339%0.39257%0.573SS.*Hα-helixtrans-58.3-47.4178.3-67.5-172.9-49.6-108.77.7111.7D413 E414 S419 H420 L421D413-R417 WeakPolarHBondContact O-CG 3.44Å; D413-R417 PolarHBondContact O-N 3.25Å; D413-R417 IonicContact OD2-CZ 2.85Å; D413-R417 IonicContact OD2-NH1 4Å; D413-R417 PolarHBondContact OD2-NH1 3.16Å; E414-R417 PolarHBondContact O-N 2.97Å; E414-R417 IonicContact OE1-CZ 3.72Å; E414-R417 IonicContact OE1-NH2 2.66Å; E414-R417 PolarHBondContact OE1-NH2 3.27Å; E414-R417 IonicContact OE2-NH2 3.46Å; E414-R417 PolarHBondContact OE2-NH2 2.82Å; R417-S419 PolarHBondContact O-N 2.98Å; R417-H420 PolarHBondContact O-N 3.21Å; R417-L421 WeakPolarHBondContact O-CG 3.34Å; R417-L421 PolarHBondContact O-N 3.13Å
418E65.7Low61.3Low93 Ų93121.3 Ų121.344%0.43559%0.587SS.*Hα-helixtrans-64.6-38.3177.9-73-55.8128.900112.4E414 L416 H420 L421 N422E414-E418 PolarHBondContact O-N 3.38Å; L416-E418 PolarHBondContact O-N 3.41Å; E418-H420 VanDerWaalsContact C-N 3.29Å; E418-H420 PolarHBondContact O-N 3.26Å; E418-L421 PolarHBondContact O-N 3.16Å; E418-N422 PolarHBondContact O-N 3.27Å; E418-N422 PolarHBondContact O-ND2 3.36Å
419S60.2Low58.7Low52 Ų52121 Ų12136%0.36460%0.595SS.*Hα-helixtrans-62.9-36.1173.479.40000112.4W415 L416 R417 S423W415-S419 WeakPolarHBondContact O-CB 3.46Å; W415-S419 PolarHBondContact O-N 2.89Å; L416-S419 PolarHBondContact O-N 3.44Å; L416-S419 PolarHBondContact O-OG 3.41Å; R417-S419 PolarHBondContact O-N 2.98Å; S419-S423 PolarHBondContact O-N 3.33Å
420H54.1Low55.8Low112 Ų112118 Ų11852%0.51960%0.599SS.*Hα-helixtrans-75.5-37.2176.6-70.4-51000113L416 R417 E418 S423L416-H420 PolarHBondContact O-CD2 3.39Å; L416-H420 PolarHBondContact O-N 3.01Å; R417-H420 PolarHBondContact O-N 3.21Å; E418-H420 VanDerWaalsContact C-N 3.29Å; E418-H420 PolarHBondContact O-N 3.26Å; H420-S423 PolarHBondContact O-N 3.44Å; H420-S423 PolarHBondContact O-OG 2.95Å
421L53.4Low53.3Low107 Ų107122 Ų12256%0.5662%0.621SS**Hα-helixtrans-63.3-45.7176-80161.1000111.5R417 E418 S423 K424R417-L421 WeakPolarHBondContact O-CG 3.34Å; R417-L421 PolarHBondContact O-N 3.13Å; E418-L421 PolarHBondContact O-N 3.16Å; L421-S423 PolarHBondContact O-N 2.89Å; L421-S423 VanDerWaalsContact O-N 3.15Å; L421-K424 PolarHBondContact O-N 3.09Å; L421-K424 VanDerWaalsContact O-N 3.17Å
422N49.2Very low50.7Low136 Ų136125.9 Ų125.973%0.72763%0.629SS**THydrogen-bonded Turntrans-66-13.4176.5-74.3-61.7000114.1E418E418-N422 PolarHBondContact O-N 3.27Å; E418-N422 PolarHBondContact O-ND2 3.36Å
423S45Very low47.8Very low85 Ų85123.6 Ų123.659%0.59463%0.631SS**THydrogen-bonded Turntrans-85.7-11.1175.676.30000114.5S419 H420 L421 L425S419-S423 PolarHBondContact O-N 3.33Å; H420-S423 PolarHBondContact O-N 3.44Å; H420-S423 PolarHBondContact O-OG 2.95Å; L421-S423 PolarHBondContact O-N 2.89Å; L421-S423 VanDerWaalsContact O-N 3.15Å; S423-L425 PolarHBondContact O-N 3.19Å; S423-L425 VanDerWaalsContact O-N 3.11Å
424K34Very low45.3Very low169 Ų169126.6 Ų126.674%0.73565%0.652SS**  trans-84.585.2178.8-74.1-171174.5-176.70111.6L421L421-K424 PolarHBondContact O-N 3.09Å; L421-K424 VanDerWaalsContact O-N 3.17Å
425L30.4Very low42.8Very low158 Ų158129.3 Ų129.383%0.82767%0.669SS**  trans-57.6136.3169.6-14781.5000110.6S423 E427S423-L425 PolarHBondContact O-N 3.19Å; S423-L425 VanDerWaalsContact O-N 3.11Å; L425-E427 PolarHBondContact O-N 2.65Å
426P31.5Very low40.4Very low93 Ų93125.4 Ų125.460%0.60467%0.671SS**  trans-68.6125175.3-17.931.1000111.3F428P426-F428 HydrophobicContact CB-CD2 4.36Å; P426-F428 HydrophobicContact CB-CE2 4.1Å; P426-F428 PolarHBondContact O-N 2.7Å
427E25.6Very low37.8Very low194 Ų194129.5 Ų129.591%0.90769%0.688SS**  trans-67.799.4168.6-70.2-176.2143.600109.7L425 P429L425-E427 PolarHBondContact O-N 2.65Å; E427-P429 WeakPolarHBondContact O-CD 3.27Å
428F31.6Very low35.8Very low183 Ų183130 Ų13080%0.80371%0.705SS**  trans-81.9118.7165.3-80.2-81.3000109.4P426 A430P426-F428 HydrophobicContact CB-CD2 4.36Å; P426-F428 HydrophobicContact CB-CE2 4.1Å; P426-F428 PolarHBondContact O-N 2.7Å; F428-A430 PolarHBondContact O-N 3.41Å
429P28.7Very low33.8Very low117 Ų117129.2 Ų129.276%0.7671%0.708SS**  trans-68123.1179.626.6-33000110.6E427 I431E427-P429 WeakPolarHBondContact O-CD 3.27Å; P429-I431 PolarHBondContact O-N 3.38Å
430A26.4Very low32.2Very low90 Ų90133.3 Ų133.374%0.74473%0.725SS**  trans-68.2115.6179.100000111.4F428F428-A430 PolarHBondContact O-N 3.41Å
431I32.2Very low30.8Very low163 Ų163131.3 Ų131.384%0.83672%0.723SS**  trans-124.7133.6160-60.3-176.3000108.8P429P429-I431 PolarHBondContact O-N 3.38Å
432Y29.2Very low29.5Very low204 Ų204134.9 Ų134.980%0.873%0.731SS**  trans-75.9145.1-164.3-73.6-106.8000113.9
433S25Very low28.3Very low101 Ų101132 Ų13271%0.70673%0.733SS**  trans22.3143.9132.1-47.60000121.9
434T26.3Very low27.4Very low132 Ų132133.5 Ų133.581%0.8174%0.744SS**  trans103.6128.9139.2-1.20000120.3
435I27.5Very low27Very low149 Ų149130.4 Ų130.476%0.76474%0.743SS**  trans101.590.4151.6-58.7171000119.4
436S25.7Very low26.7Very low111 Ų111129.4 Ų129.478%0.77674%0.739SS**  trans58.9142.413468.60000125.3
437Q23Very low26.3Very low167 Ų167132.8 Ų132.878%0.7875%0.746SS**  trans-65.8167.2172.3-57.7164.3-78.700114.8
438P27.1Very low26.2Very low115 Ų115133.3 Ų133.375%0.74774%0.741SS**  -129-179.8112.638.7-32.4000113.8
439C23.6Very low25.9Very low76 Ų76132.4 Ų132.451%0.51475%0.745SS.*  trans-135.2158.9174.6-51.90000110
440I27.1Very low25.7Very low137 Ų137132 Ų13270%0.70374%0.74SS**  trans-172136.4146.8-97.8148.9000111.9D459 I460I440-D459 CarbonylContact O-C 3.47Å; I440-D459 VanDerWaalsContact O-CA 3.28Å; I440-D459 WeakPolarHBondContact O-CA 3.48Å; I440-D459 WeakPolarHBondContact O-CB 3.44Å; I440-I460 PolarHBondContact O-N 2.84Å
441S25.2Very low25.5Very low71 Ų71134.3 Ų134.350%0.49774%0.74SS.*  trans-73.2145.5-16755.80000119.4I460S441-I460 VanDerWaalsContact CA-C 3.49Å; S441-I460 WeakPolarHBondContact CA-O 3.33Å; S441-I460 PolarHBondContact N-O 2.79Å
442Y26.2Very low25.1Very low182 Ų182133.4 Ų133.471%0.71474%0.737SS**  trans-60.3142.4156.9-85.6-71.8000114.4D459Y442-D459 WeakPolarHBondContact CD2-O 3.37Å; Y442-D459 WeakPolarHBondContact CE2-O 3.45Å; Y442-D459 PolarHBondContact N-O 2.82Å
443G24Very low24.7Very low75 Ų75132.3 Ų132.377%0.77374%0.736SS**  trans-128.9156.3161.500000110.8
444S24.7Very low24.5Very low117 Ų117132 Ų13282%0.81873%0.734SS**  trans-106.7135.8-170.654.90000113.9
445S25Very low24.2Very low103 Ų103133.6 Ų133.672%0.7273%0.732SS**  trans-173.7124.8136.6-110.40000112.3
446D25Very low23.9Very low138 Ų138133 Ų13374%0.73873%0.73SS**  trans56.3126.7132-46.3-46000124.1
447E23.7Very low23.7Very low163 Ų163132.9 Ų132.976%0.76273%0.725SS**  trans69.4119138.9-76.3-165.7138.700123.7
448Y22.1Very low23.6Very low205 Ų205132.4 Ų132.480%0.80472%0.72SS**  trans49.7103.5148.4-66-76000120.8
449D25.9Very low23.3Very low165 Ų165128.4 Ų128.488%0.88269%0.693SS**  -155.9167.4110.6-144.3-17.4000112.8
450V24Very low23.3Very low107 Ų107130.4 Ų130.465%0.64870%0.697SS**  trans-109.9137.9-166.4167.70000112.7
451N22.1Very low23.1Very low139 Ų139128 Ų12874%0.74369%0.693SS**  trans62.996.2165.4-67.4-25.8000119.2
452N24.9Very low23Very low145 Ų145128.5 Ų128.578%0.77570%0.701SS**  176.9139.7100.2-99.5-63.9000115.2
453K21Very low22.8Very low180 Ų180128.9 Ų128.978%0.78371%0.709SS**  trans40.3104.3145.4-71.3-179174.8178.80121.3
454S20.5Very low22.7Very low94 Ų94130.6 Ų130.666%0.65771%0.71SS**  49.4105.9127.262.40000120.6
455H20.6Very low22.6Very low167 Ų167128.3 Ų128.377%0.77371%0.705SS**  -177.3124.6105.8-101-73.9000113.3
456N20.7Very low22.5Very low135 Ų135131.1 Ų131.172%0.72271%0.711SS**  trans38.4132.9146.3-60.40.2000124.9
457T20.5Very low22.3Very low109 Ų109130.5 Ų130.567%0.66971%0.708SS**  trans97.9121.2130.927.70000125.1
458F21Very low22.2Very low157 Ų157131.3 Ų131.369%0.68971%0.708SS**  trans105.6117.1131.9-79.8-53.5000124.8
459D21.9Very low22.2Very low32 Ų32127 Ų12717%0.17170%0.704CS.*  101.7162.2127-77.6-20.4000127I440 Y442I440-D459 CarbonylContact O-C 3.47Å; I440-D459 VanDerWaalsContact O-CA 3.28Å; I440-D459 WeakPolarHBondContact O-CA 3.48Å; I440-D459 WeakPolarHBondContact O-CB 3.44Å; Y442-D459 WeakPolarHBondContact CD2-O 3.37Å; Y442-D459 WeakPolarHBondContact CE2-O 3.45Å; Y442-D459 PolarHBondContact N-O 2.82Å
460I22.6Very low21.9Very low117 Ų117126.8 Ų126.860%0.670%0.702SS**  trans-127.6147.9-136.8-63.8149000115.6I440 S441I440-I460 PolarHBondContact O-N 2.84Å; S441-I460 VanDerWaalsContact CA-C 3.49Å; S441-I460 WeakPolarHBondContact CA-O 3.33Å; S441-I460 PolarHBondContact N-O 2.79Å
461S23.7Very low21.8Very low88 Ų88125.2 Ų125.262%0.61571%0.708SS**  trans154.2168.1148.6-73.50000113.5
462A23.8Very low21.8Very low81 Ų81125.7 Ų125.767%0.66972%0.716SS**  cis-173.7165.5-35.500000112.6
463E22Very low22Very low189 Ų189126.4 Ų126.488%0.88372%0.719SS**  trans61.9172.4159.4-68.1-177166.800122
464S21.4Very low22.4Very low112 Ų112122.9 Ų122.978%0.78371%0.714SS**  -169.4159.2-5071.40000112
465G22.2Very low22.5Very low69 Ų69125.8 Ų125.871%0.71172%0.721SS**  trans126.3121.5150.600000124.9
466L22.1Very low22.6Very low161 Ų161126 Ų12684%0.84372%0.722SS**  78124.4127.9-64.3160.1000127.5
467N21.1Very low22.6Very low126 Ų126127.6 Ų127.667%0.67473%0.725SS**  84.3118.4127.8-76.4-17.9000128.3
468K21.6Very low22.8Very low179 Ų179128.3 Ų128.378%0.77874%0.735SS**  70.1141.2121.8-71.1-174175.4-178.60127.6
469T21.6Very low22.7Very low115 Ų115126 Ų12671%0.70674%0.738SS**  trans85.7126.7139.838.60000126.6
470D20.7Very low22.8Very low160 Ų160133.3 Ų133.386%0.85677%0.771SS**  trans58.5140.2139.6-54.4-23.8000127.4
471G22.5Very low22.9Very low74 Ų74137 Ų13776%0.76379%0.785SS**  trans124.397138.500000123.7
472T20.4Very low22.8Very low149 Ų149140.8 Ų140.891%0.91480%0.798SS**  trans46.8149.4137.2-45.30000126.5
473L29.5Very low22.6Very low160 Ų160147.1 Ų147.184%0.83881%0.811SS**  trans-60.8175.7179.4-68.3159.6000117.4
474P30.1Very low22.7Very low106 Ų106147.8 Ų147.869%0.68881%0.81SS**  cis-152.1178.626.844.8-22.5000121.8
475I21.6Very low22.8Very low155 Ų155151.9 Ų151.980%0.79581%0.814SS**  trans37.4121148.2-57.5157.9000122.8
476H24.2Very low22.7Very low173 Ų173153.7 Ų153.780%0.80182%0.816SS**  -172.4152.2107.8-151.7-80.9000112.6
477E20.7Very low22.8Very low168 Ų168152.3 Ų152.379%0.78582%0.816SS**  trans-87144.6-179.9-60.1172.6123.400114
478S23.4Very low22.9Very low124 Ų124151.1 Ų151.187%0.86782%0.824SS**  trans-173.8158.213628.40000110.9
479S20.2Very low22.7Very low107 Ų107154.5 Ų154.575%0.74883%0.832SS**SBendtrans-67.5156.9-157.2-570000117.6
480H22.8Very low22.7Very low187 Ų187154.5 Ų154.587%0.86684%0.837SS**SBendtrans97.4130.2174.3-59.4-80.6000116.8
481Q25.3Very low22.6Very low195 Ų195154.4 Ų154.491%0.91184%0.836SS**  trans76.770-175.8-55.5-168.4800117.7
482L20.5Very low22.6Very low166 Ų166157.4 Ų157.487%0.86984%0.84SS**  trans-94.2115.1157.8-91.9157.9000110.1
483F21.3Very low22.5Very low215 Ų215158 Ų15894%0.94383%0.832SS**  trans165.573.3146.5-90.8-61.7000109.8
484K23Very low22Very low202 Ų202154.1 Ų154.188%0.87882%0.818SS**  trans-126.9124.8168-87.4-176.1177.7173.80110.9
485K23.7Very low21.6Very low199 Ų199156.7 Ų156.787%0.86583%0.826SS**  trans23.9113.9150.8-68.6-172.9174.5-176.40119.7
486S20.9Very low21.5Very low106 Ų106157.6 Ų157.674%0.74182%0.824SS**  128.7121.7118.3-68.60000116.2
487P23.4Very low21.6Very low132 Ų132157.2 Ų157.286%0.85783%0.828SS**PPolyproline II helixtrans-76.9160.3152.96.910.8000111.3
488A22.5Very low21.5Very low101 Ų101155.3 Ų155.384%0.83582%0.823SS**PPolyproline II helixtrans-88.7167.9-169.700000115.2
489R17.8Very low21.4Very low250 Ų250157.9 Ų157.994%0.94382%0.821SS**PPolyproline II helixtrans-50.2139.6166.2-79.7172.4161.6166.3-6.2112.2
490S23Very low21.4Very low116 Ų116156.9 Ų156.981%0.81181%0.814SS**  -147.6127.1127.848.30000110.2
491N17.8Very low21.3Very low158 Ų158153.4 Ų153.485%0.84581%0.806SS**  trans-85.5166.9156.8-76.9-22.7000108
492V22.4Very low21.4Very low137 Ų137155.5 Ų155.583%0.8381%0.807SS**  trans114.3129171.7172.40000109.8
493Q18.2Very low21.3Very low162 Ų162156.4 Ų156.476%0.75780%0.804SS**  cis-179.6155.3-16.2-174.4148-17.400103.9
494S18.5Very low22.2Very low78 Ų78151.1 Ų151.155%0.54579%0.792SS.*  trans-34.3135.2172.953.30000118.1
495N22.5Very low22.1Very low159 Ų159147.6 Ų147.685%0.8579%0.793SS**  trans-150.6119.1137.1-74.1-44.5000103.6
496F18.6Very low21.9Very low174 Ų174144.4 Ų144.476%0.76379%0.79SS**  cis59.282.234-91-69.2000114.4
497L26.5Very low21.9Very low166 Ų166145.1 Ų145.187%0.86980%0.795SS**  trans-159.5103.1142.2-14476.8000103.6
498D19.4Very low21.7Very low128 Ų128143.7 Ų143.768%0.68479%0.788SS**  cis68.9143.846.7-129-11.5000113.5
499E21.2Very low21.8Very low177 Ų177146.8 Ų146.883%0.82779%0.79SS**  trans63.6157.6-173.5-61.5-164.9116.900119.9
500S20.6Very low21.8Very low87 Ų87144 Ų14461%0.60878%0.784SS**  cis-163.9164.5-46.271.60000108.6
501T20.9Very low21.6Very low113 Ų113144.1 Ų144.169%0.69378%0.784SS**  trans37.9105.3146.9-450000119.1
502Y26Very low21.8Very low239 Ų239141.8 Ų141.894%0.93778%0.78SS**  -141.8138.8127.3-113-78.3000112.4
503K20Very low21.7Very low185 Ų185141 Ų14180%0.80478%0.78SS**  trans-114-171.3-171.4-139.1-173.9-177.6175.20109.2
504P38.2Very low21.9Very low105 Ų105139.8 Ų139.868%0.68278%0.784SS**  -88.6173.4-129.241.7-31.2000114.5
505S22.2Very low22.1Very low128 Ų128143.8 Ų143.890%0.89580%0.799SS**  trans-149.6133.8146.9-81.60000111.7
506T18.2Very low22.1Very low132 Ų132143.3 Ų143.381%0.8180%0.796SS**  trans-94.5140177.943.90000110.3
507S22.7Very low22.4Very low121 Ų121140.8 Ų140.885%0.84680%0.798SS**  trans178.2150.4135.6380000113.3
508S19.3Very low22.3Very low102 Ų102143.4 Ų143.471%0.71380%0.796SS**  trans-60146175.7510000115.7
509L22.7Very low22.4Very low165 Ų165145 Ų14586%0.86480%0.803SS**  -167.3167.699.5-126.693.5000113.7
510K18.2Very low22.6Very low192 Ų192143.6 Ų143.684%0.83580%0.801SS**  trans-72.5140.7-179.8-59.1163.8175.9174.10112.3
511C19.7Very low22.7Very low118 Ų118144.2 Ų144.280%0.79781%0.806SS**  -178.6148.3102.7-1150000114.9
512S21.1Very low22.9Very low109 Ų109146.6 Ų146.676%0.76281%0.813SS**  trans43.691.2155.956.70000119.3V514S512-V514 PolarHBondContact O-N 3.43Å
513S21Very low22.7Very low121 Ų121141.8 Ų141.885%0.84680%0.803SS**  trans-85.797.4161.355.60000111.6
514V22.8Very low23.1Very low137 Ų137141.2 Ų141.283%0.8381%0.808SS**  trans-133.477.3160.2-173.90000107.7S512S512-V514 PolarHBondContact O-N 3.43Å
515N22.8Very low22.5Very low162 Ų162145.3 Ų145.387%0.86682%0.815SS**  trans-138.6112.4167.4-94.8-35.4000109
516D21.2Very low22.5Very low148 Ų148149.5 Ų149.579%0.79182%0.817SS**  trans-29.9116.1170.1-154.1-13.7000114.7R518D516-R518 PolarHBondContact O-N 3.4Å; D516-R518 VanDerWaalsContact O-N 3.13Å
517P25.3Very low22.6Very low121 Ų121146 Ų14679%0.78681%0.808SS**  trans-78101.6176.931-31.5000110.4
518R24.1Very low22.7Very low221 Ų221148.1 Ų148.183%0.83481%0.81SS**  trans-38.7142.1171-66.8171.7174.2160.5-2.6114D516 N520D516-R518 PolarHBondContact O-N 3.4Å; D516-R518 VanDerWaalsContact O-N 3.13Å; R518-N520 PolarHBondContact O-N 2.86Å
519I22.4Very low23Very low163 Ų163154.4 Ų154.484%0.83682%0.819SS**  -1107.1129.8-55172.3000112.7
520N25.5Very low23.2Very low146 Ų146154.7 Ų154.778%0.78182%0.821SS**  trans-140.8103.5156.5-96.6-33.9000108.7R518 L522R518-N520 PolarHBondContact O-N 2.86Å; N520-L522 PolarHBondContact O-N 3.29Å
521S22.2Very low23.3Very low101 Ų101153.6 Ų153.671%0.70682%0.816SS**  trans-66.994173.150.10000110.4N523S521-N523 PolarHBondContact O-N 3.01Å; S521-N523 VanDerWaalsContact O-N 3.08Å
522L24.4Very low23.6Very low162 Ų162153.8 Ų153.885%0.84881%0.813SS**  trans-78.986.8171.1-89.5160.2000110.3N520 L524N520-L522 PolarHBondContact O-N 3.29Å; L522-L524 PolarHBondContact O-N 3.43Å; L522-L524 VanDerWaalsContact O-N 3.1Å
523N22.7Very low23.7Very low138 Ų138154.5 Ų154.574%0.73881%0.809SS**  trans-59.8107.8159.1-80.6-56.2000108.8S521 K525S521-N523 PolarHBondContact O-N 3.01Å; S521-N523 VanDerWaalsContact O-N 3.08Å; N523-K525 PolarHBondContact O-N 2.89Å
524L28.5Very low23.8Very low174 Ų174157.6 Ų157.691%0.91181%0.809SS**  trans-68.781.8167-87.2158.3000109.4L522 K526L522-L524 PolarHBondContact O-N 3.43Å; L522-L524 VanDerWaalsContact O-N 3.1Å; L524-K526 PolarHBondContact O-N 2.98Å
525K26.4Very low23.8Very low190 Ų190155.4 Ų155.483%0.82681%0.805SS**  trans-65130.6168.8-84.6-173.8172.4-177.80109.5N523N523-K525 PolarHBondContact O-N 2.89Å
526K21Very low23.7Very low216 Ų216154.1 Ų154.194%0.93980%0.804SS**  trans-52.4140.1165-65.5179.7173.7-175.70110.6L524L524-K526 PolarHBondContact O-N 2.98Å
527G20.6Very low23.8Very low59 Ų59152.5 Ų152.561%0.60880%0.804SS**  trans119111.1163.700000114.7
528N25.9Very low23.6Very low165 Ų165154.2 Ų154.288%0.88281%0.806SS**  -166125.491.3-85.8-20.1000110.6L530N528-L530 PolarHBondContact O-N 2.82Å
529Y24.5Very low23.5Very low234 Ų234149 Ų14992%0.91880%0.804SS**  trans-68.3126.4169.3-77.3-101.2000109.1K531Y529-K531 VanDerWaalsContact C-N 3.33Å; Y529-K531 PolarHBondContact O-N 3.09Å
530L26.1Very low23.5Very low171 Ų171149.7 Ų149.790%0.89581%0.809SS**  trans-71.893.9164.9-90.5164.4000108.5N528 V532N528-L530 PolarHBondContact O-N 2.82Å; L530-V532 PolarHBondContact O-N 3.02Å
531K22Very low23.3Very low170 Ų170147.7 Ų147.774%0.73981%0.806SS**  trans-70.4105.7170-165.4-175.8-177.6-163.60108Y529 D533Y529-K531 VanDerWaalsContact C-N 3.33Å; Y529-K531 PolarHBondContact O-N 3.09Å; K531-D533 PolarHBondContact O-N 3.27Å
532V25.9Very low23.2Very low121 Ų121150.4 Ų150.473%0.73381%0.811SS**  trans-78.2100.2174.7179.50000107.6L530 H534L530-V532 PolarHBondContact O-N 3.02Å; V532-H534 PolarHBondContact O-N 3.32Å
533D23.5Very low23.1Very low125 Ų125150.7 Ų150.767%0.66881%0.813SS**  trans-70.7126.3176.5-74.5-40.3000110.4K531 A535K531-D533 PolarHBondContact O-N 3.27Å; D533-A535 PolarHBondContact O-N 3.24Å
534H22.1Very low22.9Very low186 Ų186155.2 Ų155.286%0.86182%0.82SS**  trans-71.287.6176.6-68.4-83.8000111.2V532 T536V532-H534 PolarHBondContact O-N 3.32Å; H534-T536 PolarHBondContact O-N 3.38Å
535A23.8Very low22.6Very low90 Ų90153.3 Ų153.374%0.74482%0.816SS**  trans-86.890167.400000110.3D533 S537D533-A535 PolarHBondContact O-N 3.24Å; A535-S537 PolarHBondContact O-N 2.94Å
536T20.2Very low22.4Very low136 Ų136148 Ų14883%0.83482%0.815SS**  trans-59.9116.6168.1160000110.2H534H534-T536 PolarHBondContact O-N 3.38Å
537S23Very low22.5Very low114 Ų114142.3 Ų142.380%0.79780%0.802SS**  trans-143.4105.9166.8-76.20000109.2A535A535-S537 PolarHBondContact O-N 2.94Å
538N20.6Very low22.6Very low156 Ų156147.5 Ų147.583%0.83481%0.81SS**  trans-62.8167174.8-76.1-43.5000111.6
539S22Very low22.5Very low112 Ų112144.3 Ų144.378%0.78380%0.8SS**  trans8392164.9-50.10000116.6
540L23.8Very low22.6Very low178 Ų178144.3 Ų144.393%0.93280%0.8SS**  -164.1124.9102.5-99.7163.6000111.1
541S20.5Very low22.9Very low103 Ų103141.7 Ų141.772%0.7279%0.791SS**  trans-90.8155.1175.645.10000111.5
542L20.8Very low23.2Very low158 Ų158140.5 Ų140.583%0.82779%0.786SS**  trans60.7109167.3-100.770.2000117.6
543L22.1Very low23.6Very low168 Ų168139.7 Ų139.788%0.8879%0.786SS**  -144.9125.8104.6-138.781.8000111.6
544R18.4Very low24.2Very low233 Ų233141.6 Ų141.688%0.87979%0.788SS**  trans-103.2106.1177.6177.3-169.6-167.4178.25.8107.9
545T21.8Very low24.6Very low135 Ų135138.1 Ų138.183%0.82877%0.773SS**  trans177.6139.3156.816.20000109.6
546G22.6Very low24.9Very low78 Ų78141.1 Ų141.180%0.80477%0.765SS**  trans127.562.4177.700000114
547S22.1Very low25.7Very low96 Ų96140.9 Ų140.967%0.67175%0.754SS**  trans-72.7153.5157.3-170.60000109.3
548E23.7Very low26.4Very low168 Ų168140.1 Ų140.179%0.78574%0.74SS**  trans75.2148.2164.8-69.8135.1-112.700120.9
549C24Very low27.1Very low99 Ų99137.5 Ų137.567%0.66972%0.723SS**  trans72.870.3168.3-66.80000119.3
550Y26.8Very low27.6Very low233 Ų233136.3 Ų136.391%0.91471%0.708SS**SBendtrans-145.611.4138.8-105.4-67.2000116.7
551T30.9Very low28Very low116 Ų116132.6 Ų132.671%0.71269%0.689SS**SBendtrans-96.4-3.8176.9390000115.2S553 K554T551-S553 VanDerWaalsContact C-N 3.26Å; T551-S553 PolarHBondContact O-N 3.36Å; T551-S553 VanDerWaalsContact O-N 3.16Å; T551-K554 PolarHBondContact O-N 3.36Å
552F28.8Very low28.4Very low145 Ų145133.1 Ų133.164%0.63668%0.683SS**Hα-helixtrans-71.7-10.7-171-127.4-81.3000115.7
553S33.4Very low28.7Very low105 Ų105131.9 Ų131.973%0.73467%0.673SS**Hα-helixtrans-84.5-29.6177.7-62.60000114.1T551T551-S553 VanDerWaalsContact C-N 3.26Å; T551-S553 PolarHBondContact O-N 3.36Å; T551-S553 VanDerWaalsContact O-N 3.16Å
554K36.7Very low29Very low164 Ų164130.3 Ų130.371%0.71367%0.666SS**Hα-helixtrans-83.1-33.2178.1-82.8-171.7171.5-174.10113.2T551 R556 E557 I558T551-K554 PolarHBondContact O-N 3.36Å; K554-R556 VanDerWaalsContact C-N 3.31Å; K554-R556 PolarHBondContact O-N 3.38Å; K554-E557 PolarHBondContact O-N 3.24Å; K554-I558 PolarHBondContact O-N 3.46Å
555Q31Very low29.4Very low113 Ų113126.8 Ų126.853%0.52866%0.663SS.*Hα-helixtrans-58-42.4178.9-156.978.615.500112.2E557 I558 E559Q555-E557 VanDerWaalsContact C-N 3.34Å; Q555-E557 PolarHBondContact O-N 2.83Å; Q555-I558 PolarHBondContact O-N 3.43Å; Q555-E559 PolarHBondContact O-N 2.93Å
556R30.7Very low29.6Very low154 Ų154125.1 Ų125.158%0.58166%0.657SS**Hα-helixtrans-72-24.7-175.9-163.5177.2-69.3179.8-0.8113.5K554 N560K554-R556 VanDerWaalsContact C-N 3.31Å; K554-R556 PolarHBondContact O-N 3.38Å; R556-N560 WeakPolarHBondContact O-CB 3.48Å; R556-N560 VanDerWaalsContact O-CG 3.29Å; R556-N560 PolarHBondContact O-N 2.84Å; R556-N560 VanDerWaalsContact O-N 3.16Å; R556-N560 PolarHBondContact O-ND2 3.01Å
557E35.7Very low29.8Very low131 Ų131127.8 Ų127.861%0.61265%0.651SS**Hα-helixtrans-74.8-32.9172.8-166.5167.6-153.900111.2K554 Q555 N561K554-E557 PolarHBondContact O-N 3.24Å; Q555-E557 VanDerWaalsContact C-N 3.34Å; Q555-E557 PolarHBondContact O-N 2.83Å; E557-N561 PolarHBondContact O-N 3.24Å; E557-N561 PolarHBondContact O-ND2 3.49Å
558I39.2Very low29.9Very low98 Ų98130.4 Ų130.450%0.50366%0.658SS.*Hα-helixtrans-72.9-43.8174.2-61.5170.6000110.8K554 Q555 N560 N561 L562K554-I558 PolarHBondContact O-N 3.46Å; Q555-I558 PolarHBondContact O-N 3.43Å; I558-N560 PolarHBondContact O-N 3.27Å; I558-N561 PolarHBondContact O-N 3Å; I558-L562 HydrophobicContact CG2-CD1 3.92Å; I558-L562 WeakPolarHBondContact O-CG 3.38Å; I558-L562 PolarHBondContact O-N 3.37Å
559E33.7Very low29.7Very low101 Ų101127.6 Ų127.647%0.47266%0.657SS.*Hα-helixtrans-62.1-41.5176.1-76.2-175133.800113Q555 N561 L562 Q563Q555-E559 PolarHBondContact O-N 2.93Å; E559-N561 VanDerWaalsContact C-N 3.28Å; E559-N561 PolarHBondContact O-N 3.43Å; E559-L562 PolarHBondContact O-N 3.2Å; E559-Q563 PolarHBondContact O-N 3.02Å
560N32.4Very low29.8Very low86 Ų86128.7 Ų128.746%0.4666%0.663SS.*Hα-helixtrans-64.9-31.6176-78.4-17.6000112.6R556 I558 N564R556-N560 WeakPolarHBondContact O-CB 3.48Å; R556-N560 VanDerWaalsContact O-CG 3.29Å; R556-N560 PolarHBondContact O-N 2.84Å; R556-N560 VanDerWaalsContact O-N 3.16Å; R556-N560 PolarHBondContact O-ND2 3.01Å; I558-N560 PolarHBondContact O-N 3.27Å; N560-N564 PolarHBondContact O-N 3.39Å; N560-N564 PolarHBondContact O-ND2 3.21Å
561N32.8Very low29.6Very low101 Ų101127.2 Ų127.254%0.5466%0.661SS.*Hα-helixtrans-76.8-32.1174.2-76.7-52.2000112.4E557 I558 E559E557-N561 PolarHBondContact O-N 3.24Å; E557-N561 PolarHBondContact O-ND2 3.49Å; I558-N561 PolarHBondContact O-N 3Å; E559-N561 VanDerWaalsContact C-N 3.28Å; E559-N561 PolarHBondContact O-N 3.43Å
562L29.3Very low29.2Very low113 Ų113128.5 Ų128.559%0.59266%0.664SS**Hα-helixtrans-73-39.3174.5-76.9166.1000113I558 E559 L565 S566I558-L562 HydrophobicContact CG2-CD1 3.92Å; I558-L562 WeakPolarHBondContact O-CG 3.38Å; I558-L562 PolarHBondContact O-N 3.37Å; E559-L562 PolarHBondContact O-N 3.2Å; L562-L565 PolarHBondContact O-N 3.44Å; L562-S566 WeakPolarHBondContact O-CB 3.35Å; L562-S566 PolarHBondContact O-N 2.91Å
563Q27.4Very low29Very low132 Ų132128.2 Ų128.262%0.61767%0.673SS**Hα-helixtrans-70.4-33.1178.7-77.4-178.7-13.800112.9E559 L565 S566E559-Q563 PolarHBondContact O-N 3.02Å; Q563-L565 PolarHBondContact O-N 3.32Å; Q563-S566 PolarHBondContact O-N 2.83Å
564N28.1Very low28.6Very low136 Ų136131 Ų13173%0.72768%0.679SS**THydrogen-bonded Turntrans-72.4-9.3174.3-76.2-46.5000114.3N560N560-N564 PolarHBondContact O-N 3.39Å; N560-N564 PolarHBondContact O-ND2 3.21Å
565L27Very low28.1Very low158 Ų158126.9 Ų126.983%0.82768%0.676SS**THydrogen-bonded Turntrans-109-4.7173.9-77.8165.2000113.6L562 Q563L562-L565 PolarHBondContact O-N 3.44Å; Q563-L565 PolarHBondContact O-N 3.32Å
566S26.5Very low27.8Very low100 Ų100129.1 Ų129.170%0.69969%0.691SS**  trans-113.460.8-177.1-162.10000112.3L562 Q563L562-S566 WeakPolarHBondContact O-CB 3.35Å; L562-S566 PolarHBondContact O-N 2.91Å; Q563-S566 PolarHBondContact O-N 2.83Å
567I25Very low27.5Very low134 Ų134131 Ų13169%0.68771%0.707SS**SBendtrans-129.3105.9165.9-59.2-177.5000109.3
568N24.3Very low27.1Very low151 Ų151133.6 Ų133.681%0.80772%0.721SS**  trans67.768.8162.3-57.6-24.2000118.9
569S21Very low26.5Very low110 Ų110133.9 Ų133.977%0.76973%0.731SS**  trans-95.5113.5138.761.70000109.6K571S569-K571 PolarHBondContact O-N 3.15Å
570P24.6Very low26.3Very low121 Ų121134.5 Ų134.579%0.78674%0.742SS**  trans-71.2127.8168.928.3-29.7000109.2N572P570-N572 PolarHBondContact O-N 3.4Å; P570-N572 VanDerWaalsContact O-N 3.12Å
571K23.3Very low26.2Very low202 Ų202137.2 Ų137.288%0.87876%0.756SS**  trans-58.8113.1178.6-65.1170.4178.1176.60110.1S569S569-K571 PolarHBondContact O-N 3.15Å
572N23.1Very low26.2Very low144 Ų144137.8 Ų137.877%0.7776%0.758SS**  trans-13697.5157.3-117.30.5000108.7P570 L574P570-N572 PolarHBondContact O-N 3.4Å; P570-N572 VanDerWaalsContact O-N 3.12Å; N572-L574 PolarHBondContact O-N 3.34Å
573V24.9Very low26.2Very low138 Ų138138.5 Ų138.584%0.83676%0.76SS**  trans-76.9100.6169.8175.50000106.4
574L24.5Very low26.7Very low163 Ų163136.1 Ų136.185%0.85376%0.758SS**  trans-93.698.4170.3-79.4168000108.6N572N572-L574 PolarHBondContact O-N 3.34Å
575A26Very low26.9Very low79 Ų79133.5 Ų133.565%0.65375%0.75SS**  trans-114.9151.2164.700000108.7
576D25.1Very low27.1Very low159 Ų159128.4 Ų128.485%0.8573%0.726SS**  trans55.583.2173.8-73.3-5.9000118.8
577E24.7Very low27.5Very low194 Ų194127.2 Ų127.291%0.90771%0.714SS**SBendtrans-149.975.7144.2-163.9175.3-152.700111.5
578M25.8Very low28Very low185 Ų185125.9 Ų125.991%0.91171%0.709SS**SBendtrans173.169152.2-100.1-169.4175.700111.5
579C26.9Very low28.2Very low104 Ų104125.4 Ų125.470%0.70370%0.703SS**  trans-146.647.3178.8-114.50000114.5
580T30.5Very low28.7Very low115 Ų115125.3 Ų125.371%0.70669%0.694SS**SBendtrans-121.5-28.3171.849.70000114.8
581D29.9Very low29.2Very low142 Ų142127 Ų12776%0.75969%0.688SS**SBendtrans-86.9-8.4-171.4-67.70000114.4S584D581-S584 PolarHBondContact O-OG 3.4Å
582I31.9Very low29.6Very low114 Ų114125.8 Ų125.859%0.58569%0.688SS**SBendtrans-92.1-23.8179.2-63.2175.2000112.2S584 S585 T586I582-S584 PolarHBondContact O-N 3.49Å; I582-S584 VanDerWaalsContact O-N 3.17Å; I582-S585 PolarHBondContact O-N 3.25Å; I582-S585 VanDerWaalsContact O-N 3.08Å; I582-T586 PolarHBondContact O-N 3.17Å; I582-T586 PolarHBondContact O-OG1 3.09Å
583M29.2Very low30.3Very low127 Ų127127 Ų12763%0.62669%0.687SS**Hα-helixtrans-61.5-27.7-175.8-82.8-82.4101.400113.8T586 T587M583-T586 PolarHBondContact O-OG1 3.13Å; M583-T587 PolarHBondContact O-OG1 2.88Å; M583-T587 VanDerWaalsContact O-OG1 3.07Å
584S38.6Very low30.3Very low83 Ų83123.3 Ų123.358%0.5868%0.677SS**Hα-helixtrans-68.6-41.5174.5540000112.7D581 I582D581-S584 PolarHBondContact O-OG 3.4Å; I582-S584 PolarHBondContact O-N 3.49Å; I582-S584 VanDerWaalsContact O-N 3.17Å
585S32.2Very low30.7Very low81 Ų81121.1 Ų121.157%0.56667%0.665SS**Hα-helixtrans-67.6-38.2-177.7151.70000112.8I582 M589I582-S585 PolarHBondContact O-N 3.25Å; I582-S585 VanDerWaalsContact O-N 3.08Å; S585-M589 PolarHBondContact O-N 2.8Å
586T31.9Very low31.1Very low50 Ų50124.5 Ų124.531%0.30767%0.672SS.*Hα-helixtrans-70.3-33.1-179.936.20000113.4I582 M583 M589 L590I582-T586 PolarHBondContact O-N 3.17Å; I582-T586 PolarHBondContact O-OG1 3.09Å; M583-T586 PolarHBondContact O-OG1 3.13Å; T586-M589 PolarHBondContact O-N 3.3Å; T586-L590 WeakPolarHBondContact O-CG 3.47Å; T586-L590 PolarHBondContact O-N 2.93Å; T586-L590 VanDerWaalsContact O-N 3.15Å
587T34.7Very low31.7Very low75 Ų75125.2 Ų125.246%0.4667%0.67SS.*Hα-helixtrans-68.8-38.7-176.6-54.90000112.6M583 K591M583-T587 PolarHBondContact O-OG1 2.88Å; M583-T587 VanDerWaalsContact O-OG1 3.07Å; T587-K591 PolarHBondContact O-N 3.04Å
588D34.1Very low31.8Very low107 Ų107124.8 Ų124.857%0.57266%0.661SS**Hα-helixtrans-75.4-31.3178.3-73-25.3000112.4L590 K591D588-L590 VanDerWaalsContact C-N 3.34Å; D588-L590 PolarHBondContact O-N 3.43Å; D588-K591 PolarHBondContact O-N 3.18Å; D588-K591 IonicContact OD1-NZ 3.66Å
589M29.6Very low31.9Very low140 Ų140122.9 Ų122.969%0.6965%0.65SS**Hα-helixtrans-69.2-31.6174.7-159.1174.273.100112.6S585 T586 M592S585-M589 PolarHBondContact O-N 2.8Å; T586-M589 PolarHBondContact O-N 3.3Å; M589-M592 PolarHBondContact O-N 3.42Å
590L31.8Very low31.9Very low109 Ų109121.2 Ų121.257%0.57165%0.651SS**Hα-helixtrans-71.8-32177.8-75.3166.7000113.1T586 D588 M592 K593T586-L590 WeakPolarHBondContact O-CG 3.47Å; T586-L590 PolarHBondContact O-N 2.93Å; T586-L590 VanDerWaalsContact O-N 3.15Å; D588-L590 VanDerWaalsContact C-N 3.34Å; D588-L590 PolarHBondContact O-N 3.43Å; L590-M592 VanDerWaalsContact C-N 3.26Å; L590-M592 PolarHBondContact O-N 2.9Å; L590-K593 PolarHBondContact O-N 3.48Å
591K34.4Very low31.9Very low155 Ų155122.2 Ų122.267%0.67465%0.651SS**Hα-helixtrans-63.7-28.1174.8-73.4175.3-175.4160.40113.5T587 D588 K593T587-K591 PolarHBondContact O-N 3.04Å; D588-K591 PolarHBondContact O-N 3.18Å; D588-K591 IonicContact OD1-NZ 3.66Å; K591-K593 VanDerWaalsContact C-N 3.26Å; K591-K593 PolarHBondContact O-N 2.88Å
592M33Very low31.7Very low178 Ų178123.3 Ų123.388%0.87766%0.655SS**THydrogen-bonded Turntrans-72.3-13.6177.3-87.4-15717500114.4M589 L590M589-M592 PolarHBondContact O-N 3.42Å; L590-M592 VanDerWaalsContact C-N 3.26Å; L590-M592 PolarHBondContact O-N 2.9Å
593K36.4Very low31.3Very low170 Ų170124.9 Ų124.974%0.73966%0.658SS**THydrogen-bonded Turntrans-115.912-173-88.4-172.6173.1-1780116.1L590 K591 L595L590-K593 PolarHBondContact O-N 3.48Å; K591-K593 VanDerWaalsContact C-N 3.26Å; K591-K593 PolarHBondContact O-N 2.88Å; K593-L595 VanDerWaalsContact C-N 3.29Å; K593-L595 PolarHBondContact O-N 3.06Å; K593-L595 VanDerWaalsContact O-N 3.17Å
594G25.9Very low31.2Very low60 Ų60125.1 Ų125.162%0.61967%0.667SS**THydrogen-bonded Turntrans57.335.5163.600000115.4D596G594-D596 PolarHBondContact O-N 2.94Å
595L31.4Very low30.3Very low117 Ų117129.6 Ų129.661%0.61368%0.679SS**  trans-99.355.4-176.8-81163.8000111.7K593 H597K593-L595 VanDerWaalsContact C-N 3.29Å; K593-L595 PolarHBondContact O-N 3.06Å; K593-L595 VanDerWaalsContact O-N 3.17Å; L595-H597 PolarHBondContact O-N 3.22Å
596D35.9Very low29.9Very low149 Ų149135.6 Ų135.680%0.79770%0.695SS**THydrogen-bonded Turntrans-76.641.6-176.4-62.1-30.5000113.5G594G594-D596 PolarHBondContact O-N 2.94Å
597H36.2Very low29.5Very low175 Ų175138.8 Ų138.881%0.8172%0.716SS**THydrogen-bonded Turntrans-133.813.2-177.6-11250.9000116.6L595L595-H597 PolarHBondContact O-N 3.22Å
598Y27.9Very low28.7Very low184 Ų184141.3 Ų141.372%0.72273%0.732SS**  trans-126.213.3174.9-76.5-81000115.1G600Y598-G600 PolarHBondContact O-N 3.23Å
599E28.3Very low28.1Very low145 Ų145143 Ų14368%0.67875%0.746SS**THydrogen-bonded Turntrans-68.2-12.9177.8-148.8-164.5146.300114.1K603E599-K603 IonicContact OE1-NZ 3.74Å; E599-K603 PolarHBondContact OE1-NZ 3.45Å
600G27.3Very low27.6Very low70 Ų70141.1 Ų141.172%0.72275%0.746SS**THydrogen-bonded Turntrans-81.3-23.9-167.200000117.3Y598Y598-G600 PolarHBondContact O-N 3.23Å
601I29.2Very low27.1Very low136 Ų136144.5 Ų144.570%0.69776%0.764SS**SBendtrans-103.8-18.3-161.2-62.3-179.3000114.2
602L26.1Very low26.6Very low164 Ų164144 Ų14486%0.85977%0.773SS**SBendtrans-102.214.6-174.1-63.7176.6000115.1
603K22.8Very low26.1Very low147 Ų147140.1 Ų140.164%0.63976%0.764SS**  trans-9840.2179.9-71.6-177-176.8169.70114.5E599E599-K603 IonicContact OE1-NZ 3.74Å; E599-K603 PolarHBondContact OE1-NZ 3.45Å
604T26.7Very low25.5Very low132 Ų132141.2 Ų141.281%0.8177%0.772SS**  trans-11187.2169.640.40000111.4
605Q20.5Very low25.3Very low178 Ų178147.8 Ų147.883%0.83278%0.783SS**  trans-65145.7169.6-61.1167.6-29.900111.2
606F24.4Very low25.7Very low207 Ų207147.7 Ų147.791%0.90879%0.789SS**  trans-164.2159.4144-93.5-51.1000109.7
607P23.4Very low25.4Very low117 Ų117146.4 Ų146.476%0.7679%0.789SS**  -118.7166.4-114.340.4-31.3000117
608V18.7Very low24.7Very low128 Ų128143.6 Ų143.678%0.77679%0.789SS**  trans-66145.6178.9176.10000113.4
609T20.6Very low24.5Very low143 Ų143141.3 Ų141.388%0.87780%0.795SS**  trans-146.4145.8145.5-38.30000109.9
610S19.6Very low24.2Very low99 Ų99143.7 Ų143.769%0.69281%0.806SS**  trans-119.9149.4-157.434.90000114.4
611L21.4Very low24.1Very low180 Ų180151.5 Ų151.594%0.94282%0.815SS**  trans-155.3170.1160.7-141.570.8000112.5
612V23Very low23.7Very low144 Ų144150.2 Ų150.287%0.87382%0.818SS**  trans-108156.6-150.8172.70000115
613S21.4Very low23.6Very low98 Ų98150.6 Ų150.669%0.68582%0.82SS**  trans-83.9154.6-169.5176.20000117.1
614H24.3Very low23.6Very low193 Ų193152.2 Ų152.289%0.89483%0.827SS**  trans-152.6143153-88-69.8000113.7
615K22.7Very low23.6Very low197 Ų197152.8 Ų152.886%0.85783%0.826SS**  trans-89.4177.8168.1-106.8175.4179.6170.30110.5
616P39.3Very low23.8Very low115 Ų115153 Ų15375%0.74783%0.832SS**  cis-134.4-143.626.441.4-18.3000111.1
617P29.8Very low23.8Very low123 Ų123147.9 Ų147.980%0.79982%0.821SS**  cis-131.4-151.4-11.239.5-17.3000114.6
618S21.5Very low23.7Very low116 Ų116149.8 Ų149.881%0.81183%0.825SS**  trans-145.9163.2-178.750.40000112.5
619T24.6Very low24Very low136 Ų136151.6 Ų151.683%0.83483%0.829SS**  trans-134.7141.3178.8170000112.9
620Q20.8Very low24.3Very low195 Ų195150.2 Ų150.291%0.91182%0.822SS**  trans-110.4144.5176.1-75.1179-26.900111
621Y24.5Very low24.3Very low233 Ų233153.8 Ų153.891%0.91483%0.828SS**  trans-109140.6168.1-79-88.2000110.7
622S22Very low24.5Very low110 Ų110151.2 Ų151.277%0.76983%0.825SS**  trans-120.3126.2175.6-167.50000109.4
623L24.6Very low24.7Very low171 Ų171150.6 Ų150.690%0.89582%0.815SS**  trans-101.4104.9177.3-93.7160000109
624K22.8Very low24.9Very low181 Ų181151.3 Ų151.379%0.78782%0.818SS**  trans-124.77.7178.9-138.1178.8-175-177.40113.8
625D25.6Very low24.7Very low145 Ų145147.3 Ų147.378%0.77581%0.81SS**  trans-10698.2-180-65-51.1000110.6
626L24.6Very low24.5Very low183 Ų183142.9 Ų142.996%0.95880%0.799SS**  trans-178.445.1149.2-99.5166.6000111.2
627S23.9Very low23.8Very low98 Ų98147.8 Ų147.869%0.68581%0.809SS**  trans-121.379.3171.461.90000109.8
628N21.9Very low23.4Very low158 Ų158150.1 Ų150.185%0.84581%0.81SS**  trans-161147.8173.3-96.1-40.9000111.5
629I25.6Very low23.3Very low166 Ų166149.7 Ų149.785%0.85181%0.807SS**SBendtrans87.4128.6173.2-56.9169.6000114.2
630P26.1Very low23.2Very low114 Ų114150.7 Ų150.774%0.7481%0.806SS**  -126.3167.5-117.442.3-32.3000116.9
631E21.1Very low23.1Very low174 Ų174146 Ų14681%0.81380%0.795SS**  trans-61.5141168.3-60.5176.5128.400112.5
632S24.5Very low23Very low125 Ų125139.3 Ų139.387%0.87478%0.782SS**  trans-127.1108.6158.440.50000109.8
633I26.8Very low22.9Very low132 Ų132141.1 Ų141.168%0.67778%0.782SS**  trans-80.6146.9178.3-66.3165.8000106
634P25.4Very low22.7Very low113 Ų113140.7 Ų140.773%0.73478%0.777SS**  -157.4154.868.442-19.2000123
635C20.3Very low22.6Very low108 Ų108139.6 Ų139.673%0.7378%0.775SS**  trans76.8105.5134.5-740000123.2
636T18.3Very low22.5Very low104 Ų104140.2 Ų140.264%0.63878%0.777SS**  61.6108117.8-24.30000119.9Q638T636-Q638 HydrophobicContact CG2-CG 4.39Å
637F24.8Very low22.3Very low218 Ų218139.4 Ų139.496%0.95677%0.766SS**  -135.5141.6126.1-104.5-79.6000110.3
638Q22.1Very low22.2Very low172 Ų172144.3 Ų144.380%0.80478%0.778SS**  trans-84.7156.7-169.5-69.5165.5-46.900112.9T636T636-Q638 HydrophobicContact CG2-CG 4.39Å
639S20.3Very low22.2Very low108 Ų108141.6 Ų141.676%0.75577%0.772SS**  trans-8119.1154.7-1730000116.9
640L21Very low22.1Very low157 Ų157142.3 Ų142.382%0.82277%0.771SS**  trans-130.484.8145.4-104165.5000108.4S642L640-S642 PolarHBondContact O-N 3.42Å
641S18.7Very low22.1Very low97 Ų97145.6 Ų145.668%0.67878%0.781SS**  trans-64.6121.2158-172.80000107.7
642S22.2Very low22.1Very low91 Ų91142.6 Ų142.664%0.63678%0.778SS**  trans-143.692.3172.7-73.60000108.5L640 M644L640-S642 PolarHBondContact O-N 3.42Å; S642-M644 PolarHBondContact O-N 3.44Å; S642-M644 VanDerWaalsContact O-N 3.09Å
643I20.4Very low22.2Very low149 Ų149143 Ų14376%0.76478%0.776SS**  trans-60.3105.8165.3-65161.4000106.7E645I643-E645 HydrophobicContact CG2-CG 4.09Å
644M20.7Very low22.3Very low161 Ų161142.2 Ų142.279%0.79378%0.779SS**  trans-97.396.8161.3-93.7-172.374.600108.3S642 L646S642-M644 PolarHBondContact O-N 3.44Å; S642-M644 VanDerWaalsContact O-N 3.09Å; M644-L646 PolarHBondContact O-N 3.12Å
645E21.1Very low22.3Very low158 Ų158142.9 Ų142.974%0.73878%0.781SS**  trans-59.6101.1158.7-65.7177.6148.500108.4I643 K647I643-E645 HydrophobicContact CG2-CG 4.09Å; E645-K647 VanDerWaalsContact C-N 3.27Å; E645-K647 PolarHBondContact O-N 3.35Å
646L22.5Very low22.6Very low159 Ų159145.4 Ų145.483%0.83279%0.788SS**  trans-73.990.6165.5-94.4166.7000108.1M644 E648M644-L646 PolarHBondContact O-N 3.12Å; L646-E648 PolarHBondContact O-N 2.97Å
647K21Very low23Very low166 Ų166144.5 Ų144.572%0.72279%0.786SS**  trans-52.1127.8176.1-73.6-173172.1-175.30111.1E645 S649E645-K647 VanDerWaalsContact C-N 3.27Å; E645-K647 PolarHBondContact O-N 3.35Å; K647-S649 PolarHBondContact O-N 2.72Å; K647-S649 VanDerWaalsContact O-N 3.12Å; K647-S649 PolarHBondContact O-OG 3.13Å
648E20.8Very low23Very low201 Ų201138.4 Ų138.494%0.93977%0.77SS**  trans-49.6119.4157.4-70.4178.511400109.4L646L646-E648 PolarHBondContact O-N 2.97Å
649S22.1Very low23.2Very low101 Ų101138.6 Ų138.671%0.70677%0.769SS**  trans-142.2102.1166.534.80000109.8K647K647-S649 PolarHBondContact O-N 2.72Å; K647-S649 VanDerWaalsContact O-N 3.12Å; K647-S649 PolarHBondContact O-OG 3.13Å
650Q24.3Very low23.4Very low181 Ų181138.7 Ų138.785%0.84676%0.761SS**  trans65.880.3150.1-56.5-179-4.600117.7
651L25.9Very low23.8Very low182 Ų182137.8 Ų137.895%0.95376%0.756SS**  -137.792.9122.6-151.375.1000110.7
652C22.1Very low24.3Very low111 Ų111140 Ų14075%0.7576%0.759SS**  trans-74.6127.1173-62.10000110.3
653T24.9Very low24.7Very low134 Ų134141.7 Ų141.782%0.82276%0.761SS**  -173123.3110.232.20000109.7
654P28.7Very low25.1Very low115 Ų115141 Ų14175%0.74776%0.759SS**  trans-88.9127.7171.533.5-29.5000110.5
655T27.3Very low25.8Very low127 Ų127140 Ų14078%0.77976%0.756SS**  trans-108.696.2153.949.20000108.4S657T655-S657 PolarHBondContact O-N 3.32Å
656N26.1Very low26.2Very low161 Ų161137.9 Ų137.986%0.86175%0.749SS**  trans-65.474.3157.3-76.1-15.9000108.4S658N656-S658 PolarHBondContact O-N 3.28Å; N656-S658 VanDerWaalsContact O-N 3.1Å
657S26.4Very low26.8Very low86 Ų86138 Ų13860%0.60175%0.746SS**  trans-75.787.4157.955.70000106.7T655 F659T655-S657 PolarHBondContact O-N 3.32Å; S657-F659 PolarHBondContact O-N 3.26Å
658S25.5Very low27.6Very low89 Ų89136.4 Ų136.462%0.62274%0.739SS**  trans-52.8111.8162.449.50000107.7N656 N660N656-S658 PolarHBondContact O-N 3.28Å; N656-S658 VanDerWaalsContact O-N 3.1Å; S658-N660 VanDerWaalsContact C-N 3.3Å; S658-N660 PolarHBondContact O-N 3.22Å
659F25.9Very low28.3Very low177 Ų177129.9 Ų129.978%0.77671%0.713SS**  trans-6789.8179-117.2-92.3000108.7S657 L661S657-F659 PolarHBondContact O-N 3.26Å; F659-L661 PolarHBondContact O-N 3.36Å
660N24.6Very low28.9Very low110 Ų110130.6 Ų130.659%0.58871%0.709SS**  trans-80.698176-83.1-12.8000108.8S658 I662S658-N660 VanDerWaalsContact C-N 3.3Å; S658-N660 PolarHBondContact O-N 3.22Å; N660-I662 PolarHBondContact O-N 3.39Å
661L28.3Very low29.6Very low138 Ų138129 Ų12972%0.72371%0.706SS**THydrogen-bonded Turntrans-65.924.9-177.5-113.9152.6000115.1F659F659-L661 PolarHBondContact O-N 3.36Å
662I28.7Very low29.7Very low143 Ų143125.4 Ų125.473%0.73369%0.687SS**THydrogen-bonded Turntrans-120.3-28.6-173.6-62.4179.8000112.5N660N660-I662 PolarHBondContact O-N 3.39Å
663D31.1Very low30.2Very low127 Ų127126 Ų12668%0.67968%0.683SS**THydrogen-bonded Turntrans-89.3-30.9-175-72.7-42000114.2D665D663-D665 VanDerWaalsContact C-N 3.35Å; D663-D665 PolarHBondContact O-N 3.1Å
664D30.1Very low30.6Very low135 Ų135125.4 Ų125.472%0.72268%0.681SS**G310 helixtrans-80.7-7.2-173.4-72.1-21.7000114.8L666D664-L666 PolarHBondContact O-N 2.74Å; D664-L666 VanDerWaalsContact O-N 3.13Å
665D33.7Very low31.1Very low138 Ų138125.4 Ų125.474%0.73868%0.684SS**G310 helixtrans-80.911.9-173.5-126.47.5000114D663D663-D665 VanDerWaalsContact C-N 3.35Å; D663-D665 PolarHBondContact O-N 3.1Å
666L30.9Very low31.4Very low114 Ų114124.3 Ų124.360%0.59768%0.681SS**G310 helixtrans-117.2-7.5-177.2-70.2177.8000116D664 F668 V669D664-L666 PolarHBondContact O-N 2.74Å; D664-L666 VanDerWaalsContact O-N 3.13Å; L666-F668 VanDerWaalsContact C-N 3.27Å; L666-F668 PolarHBondContact O-N 2.85Å; L666-V669 HydrophobicContact CD2-CB 4.42Å; L666-V669 HydrophobicContact CD2-CG2 3.73Å; L666-V669 WeakPolarHBondContact O-CB 3.22Å; L666-V669 PolarHBondContact O-N 3.1Å
667E33.4Very low31.8Very low163 Ų163122.6 Ų122.676%0.76268%0.678SS**Hα-helixtrans-62.7-36.3178.5-162.8175.9-144.900111.7V669 N670E667-V669 VanDerWaalsContact C-N 3.26Å; E667-V669 PolarHBondContact O-N 3.03Å; E667-N670 PolarHBondContact O-N 2.83Å
668F39.7Very low32.2Very low131 Ų131130 Ų13058%0.57571%0.711SS**Hα-helixtrans-62.4-24.5173165.7-110.9000114.4L666 N670 D671 L672L666-F668 VanDerWaalsContact C-N 3.27Å; L666-F668 PolarHBondContact O-N 2.85Å; F668-N670 VanDerWaalsContact C-N 3.3Å; F668-D671 PolarHBondContact O-N 3.39Å; F668-L672 HydrophobicContact CD1-CD1 4.39Å; F668-L672 HydrophobicContact CE1-CD1 3.6Å; F668-L672 HydrophobicContact CE1-CG 4.37Å; F668-L672 HydrophobicContact CE2-CD1 3.98Å; F668-L672 HydrophobicContact CE2-CD2 4.32Å; F668-L672 HydrophobicContact CE2-CG 3.97Å; F668-L672 HydrophobicContact CZ-CD1 3.37Å; F668-L672 HydrophobicContact CZ-CD2 4.37Å; F668-L672 HydrophobicContact CZ-CG 3.9Å
669V33.7Very low32.6Very low64 Ų64132 Ų13239%0.38872%0.716SS.*Hα-helixtrans-72.2-29.3179.8-1800000111L666 E667 L672 L673L666-V669 HydrophobicContact CD2-CB 4.42Å; L666-V669 HydrophobicContact CD2-CG2 3.73Å; L666-V669 WeakPolarHBondContact O-CB 3.22Å; L666-V669 PolarHBondContact O-N 3.1Å; E667-V669 VanDerWaalsContact C-N 3.26Å; E667-V669 PolarHBondContact O-N 3.03Å; V669-L672 PolarHBondContact O-N 3.02Å; V669-L673 PolarHBondContact O-N 3.2Å
670N35.3Very low32.9Very low116 Ų116129.6 Ų129.662%0.6271%0.712SS**Hα-helixtrans-68-34.1175.3-64.7-39.2000112.3E667 F668 L672E667-N670 PolarHBondContact O-N 2.83Å; F668-N670 VanDerWaalsContact C-N 3.3Å; N670-L672 PolarHBondContact O-N 2.8Å
671D38.6Very low33.4Very low147 Ų147130.7 Ų130.779%0.78672%0.719SS**THydrogen-bonded Turntrans-70.9-15.1174.5-85.7-6.1000113.4F668F668-D671 PolarHBondContact O-N 3.39Å
672L28.7Very low33.7Very low108 Ų108130.3 Ų130.357%0.56572%0.719SS**THydrogen-bonded Turntrans-101.5-10.8-178.3-76.6-170.9000115.1F668 V669 N670 P674F668-L672 HydrophobicContact CD1-CD1 4.39Å; F668-L672 HydrophobicContact CE1-CD1 3.6Å; F668-L672 HydrophobicContact CE1-CG 4.37Å; F668-L672 HydrophobicContact CE2-CD1 3.98Å; F668-L672 HydrophobicContact CE2-CD2 4.32Å; F668-L672 HydrophobicContact CE2-CG 3.97Å; F668-L672 HydrophobicContact CZ-CD1 3.37Å; F668-L672 HydrophobicContact CZ-CD2 4.37Å; F668-L672 HydrophobicContact CZ-CG 3.9Å; V669-L672 PolarHBondContact O-N 3.02Å; N670-L672 PolarHBondContact O-N 2.8Å; L672-P674 WeakPolarHBondContact O-CD 3.45Å
673L32.6Very low34Very low124 Ų124129.5 Ų129.565%0.64972%0.718SS**SBendtrans-83.3108.2171.1-69.5176000108.5V669 S675V669-L673 PolarHBondContact O-N 3.2Å; L673-S675 PolarHBondContact O-N 3.41Å; L673-S675 VanDerWaalsContact O-N 3.1Å
674P34.2Very low34.2Very low120 Ų120129.7 Ų129.778%0.77972%0.721SS**PPolyproline II helixtrans-60.9121.9176.426.2-33.3000108.4L672 S676L672-P674 WeakPolarHBondContact O-CD 3.45Å; P674-S676 PolarHBondContact O-N 3.14Å; P674-S676 VanDerWaalsContact O-N 3.14Å
675S37.7Very low34.5Very low116 Ų116129.3 Ų129.381%0.81172%0.721SS**PPolyproline II helixtrans-46120.5179.8540000110.5L673L673-S675 PolarHBondContact O-N 3.41Å; L673-S675 VanDerWaalsContact O-N 3.1Å
676S33.3Very low34.5Very low103 Ų103128.6 Ų128.672%0.7272%0.719SS**PPolyproline II helixtrans-52.8128.5-18050.60000110.4P674P674-S676 PolarHBondContact O-N 3.14Å; P674-S676 VanDerWaalsContact O-N 3.14Å
677P36.5Very low34.8Very low125 Ų125129.8 Ų129.881%0.81273%0.73SS**PPolyproline II helixtrans-63.9138167.129.8-32.8000108.5
678N34.3Very low35Very low241 Ų241126.8 Ų126.8100%1.28973%0.727SS**  trans-38.30-175.8-63.2-36.3000115.3

Retrieved 678 of 678 residues in 681.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).