A0A087Y0F6_POEFO Loading...

Outer dynein arm-docking complex subunit 4

AlphaFold DB , UniProt , Accession A0A087Y0F6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 518 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.5Very low53.9Low246 Ų246156.7 Ų156.7100%1.21278%0.777SS**  096.10-69.5176.7-174.100108.3S3M1-S3 PolarHBondContact O-N 3.27Å
2A38.2Very low55.3Low101 Ų101149.5 Ų149.584%0.83574%0.744SS**  trans-78.2106.6-179.100000109.3K4A2-K4 PolarHBondContact O-N 2.87Å; A2-K4 VanDerWaalsContact O-N 3.09Å
3S44.5Very low56.9Low113 Ų113144.2 Ų144.279%0.7972%0.718SS**  trans-66.6104.1175.1-164.90000108.9M1 K5M1-S3 PolarHBondContact O-N 3.27Å; S3-K5 VanDerWaalsContact C-N 3.34Å; S3-K5 PolarHBondContact O-N 3.48Å
4K44.1Very low58.3Low199 Ų199138.5 Ų138.587%0.86569%0.691SS**  trans-6493.3173.1-79.3-179.6175.9177.80108.3A2 K6A2-K4 PolarHBondContact O-N 2.87Å; A2-K4 VanDerWaalsContact O-N 3.09Å; K4-K6 PolarHBondContact O-N 3.09Å
5K50.4Low59.6Low192 Ų192136.5 Ų136.584%0.83568%0.676SS**  trans-62.1105.7164.2-77.3-176.1175.9-179.70107.2S3 H7S3-K5 VanDerWaalsContact C-N 3.34Å; S3-K5 PolarHBondContact O-N 3.48Å; K5-H7 PolarHBondContact O-N 2.91Å; K5-H7 VanDerWaalsContact O-N 3.14Å
6K56Low60.9Low163 Ų163133.1 Ų133.171%0.70967%0.67SS**  trans-58.4115.6169.7-78-178.9176179.60107.4K4 Y8K4-K6 PolarHBondContact O-N 3.09Å; K6-Y8 HydrophobicContact CB-CD2 4.16Å; K6-Y8 HydrophobicContact CB-CE2 3.75Å; K6-Y8 VanDerWaalsContact O-CD2 3.31Å; K6-Y8 WeakPolarHBondContact O-CD2 3.26Å; K6-Y8 PolarHBondContact O-N 3.34Å; K6-Y8 VanDerWaalsContact O-N 3.09Å
7H51.9Low62.3Low187 Ų187132.6 Ų132.687%0.86666%0.663SS**  trans-69.7100.5166.5-88-79.1000107.2K5K5-H7 PolarHBondContact O-N 2.91Å; K5-H7 VanDerWaalsContact O-N 3.14Å
8Y56.2Low63.5Low152 Ų152125.6 Ų125.660%0.59663%0.628SS**  trans-74.8128.7170.2-73.7-89.5000108.3K6 D12K6-Y8 HydrophobicContact CB-CD2 4.16Å; K6-Y8 HydrophobicContact CB-CE2 3.75Å; K6-Y8 VanDerWaalsContact O-CD2 3.31Å; K6-Y8 WeakPolarHBondContact O-CD2 3.26Å; K6-Y8 PolarHBondContact O-N 3.34Å; K6-Y8 VanDerWaalsContact O-N 3.09Å; Y8-D12 HydrophobicContact CD1-CB 4.19Å
9T72.4Confident64.6Low74 Ų74121.9 Ų121.945%0.45462%0.615SS.*  trans-71.8154.7173.566.10000109.6E11 D12 I13T9-E11 PolarHBondContact O-N 3.03Å; T9-E11 VanDerWaalsContact O-N 3.15Å; T9-D12 PolarHBondContact N-OD2 3.12Å; T9-D12 WeakPolarHBondContact O-CB 3.31Å; T9-D12 PolarHBondContact O-N 3.39Å; T9-D12 PolarHBondContact OG1-N 3.14Å; T9-D12 PolarHBondContact OG1-OD2 3.47Å; T9-I13 PolarHBondContact O-N 3.24Å
10E69.6Low65.7Low179 Ų179119 Ų11984%0.83661%0.611SS**Hα-helixtrans-56.1-30.9176.4-73.2-177.3161.300112I13 L14E10-I13 PolarHBondContact O-N 3.09Å; E10-L14 WeakPolarHBondContact O-CB 3.3Å; E10-L14 PolarHBondContact O-N 3.01Å
11E68.7Low66.7Low118 Ų118115.6 Ų115.655%0.55159%0.594SS**Hα-helixtrans-67.8-35.8176-152.4-172.5144.900112.7T9 L14 K15T9-E11 PolarHBondContact O-N 3.03Å; T9-E11 VanDerWaalsContact O-N 3.15Å; E11-L14 PolarHBondContact O-N 3.22Å; E11-K15 WeakPolarHBondContact O-CB 3.19Å; E11-K15 VanDerWaalsContact O-CG 3.31Å; E11-K15 WeakPolarHBondContact O-CG 3.46Å; E11-K15 PolarHBondContact O-N 3.12Å; E11-K15 WeakPolarHBondContact OE1-CE 3.41Å; E11-K15 IonicContact OE1-NZ 3.9Å; E11-K15 PolarHBondContact OE1-NZ 3.34Å
12D71.7Confident69Low70 Ų70106.1 Ų106.137%0.37454%0.544SS..Hα-helixtrans-71.1-36.7176.1-63.3-43.5000111.9Y8 T9 L14 S16Y8-D12 HydrophobicContact CD1-CB 4.19Å; T9-D12 PolarHBondContact N-OD2 3.12Å; T9-D12 WeakPolarHBondContact O-CB 3.31Å; T9-D12 PolarHBondContact O-N 3.39Å; T9-D12 PolarHBondContact OG1-N 3.14Å; T9-D12 PolarHBondContact OG1-OD2 3.47Å; D12-L14 VanDerWaalsContact C-N 3.34Å; D12-S16 VanDerWaalsContact O-CB 3.3Å; D12-S16 WeakPolarHBondContact O-CB 3.48Å; D12-S16 PolarHBondContact O-N 3.32Å
13I75.2Confident71.3Confident80 Ų80103.6 Ų103.641%0.4152%0.524SS..Hα-helixtrans-66.1-41.2175.2-61.8171.3000109.8T9 E10 S16 K17T9-I13 PolarHBondContact O-N 3.24Å; E10-I13 PolarHBondContact O-N 3.09Å; I13-S16 PolarHBondContact O-N 3Å; I13-K17 HydrophobicContact CG2-CD 4.4Å; I13-K17 WeakPolarHBondContact O-CG 3.31Å; I13-K17 PolarHBondContact O-N 3.4Å
14L76.7Confident73.4Confident65 Ų65101 Ų10134%0.3450%0.5SS..Hα-helixtrans-65.7-47.1177.3-168.861000111.4E10 E11 D12 S16 K17 T18 L47E10-L14 WeakPolarHBondContact O-CB 3.3Å; E10-L14 PolarHBondContact O-N 3.01Å; E11-L14 PolarHBondContact O-N 3.22Å; D12-L14 VanDerWaalsContact C-N 3.34Å; L14-S16 VanDerWaalsContact C-N 3.32Å; L14-S16 PolarHBondContact O-N 3.4Å; L14-K17 PolarHBondContact O-N 2.67Å; L14-T18 PolarHBondContact O-N 3.23Å; L14-T18 PolarHBondContact O-OG1 2.76Å; L14-T18 VanDerWaalsContact O-OG1 3.08Å; L14-L47 HydrophobicContact CD1-CB 3.91Å; L14-L47 HydrophobicContact CD1-CD2 3.85Å; L14-L47 HydrophobicContact CD1-CG 4.41Å; L14-L47 WeakPolarHBondContact CD2-O 3.45Å
15K77.6Confident75.6Confident108 Ų10891.5 Ų91.547%0.4746%0.459SS..Hα-helixtrans-58.6-41.7174.4-76.1170.7-174.3161.40112.4E11 T18 S19E11-K15 WeakPolarHBondContact O-CB 3.19Å; E11-K15 VanDerWaalsContact O-CG 3.31Å; E11-K15 WeakPolarHBondContact O-CG 3.46Å; E11-K15 PolarHBondContact O-N 3.12Å; E11-K15 WeakPolarHBondContact OE1-CE 3.41Å; E11-K15 IonicContact OE1-NZ 3.9Å; E11-K15 PolarHBondContact OE1-NZ 3.34Å; K15-T18 PolarHBondContact O-N 3.03Å; K15-S19 WeakPolarHBondContact O-CB 3.46Å; K15-S19 PolarHBondContact O-N 3.47Å
16S81.6Confident77.3Confident83 Ų8385 Ų8558%0.5843%0.432SS*.Hα-helixtrans-63.4-45.1176.9-179.20000111.9D12 I13 L14 S19 A20D12-S16 VanDerWaalsContact O-CB 3.3Å; D12-S16 WeakPolarHBondContact O-CB 3.48Å; D12-S16 PolarHBondContact O-N 3.32Å; I13-S16 PolarHBondContact O-N 3Å; L14-S16 VanDerWaalsContact C-N 3.32Å; L14-S16 PolarHBondContact O-N 3.4Å; S16-S19 PolarHBondContact O-N 2.99Å; S16-A20 PolarHBondContact O-N 3.34Å
17K83.8Confident78.9Confident124 Ų12484.3 Ų84.354%0.53943%0.425SS..Hα-helixtrans-64.2-43.7176.1-75178.8178.9-179.60112.5I13 L14 S19 A20 L21I13-K17 HydrophobicContact CG2-CD 4.4Å; I13-K17 WeakPolarHBondContact O-CG 3.31Å; I13-K17 PolarHBondContact O-N 3.4Å; L14-K17 PolarHBondContact O-N 2.67Å; K17-S19 VanDerWaalsContact C-N 3.33Å; K17-S19 PolarHBondContact O-N 3.48Å; K17-A20 PolarHBondContact O-N 2.96Å; K17-L21 PolarHBondContact O-N 3.22Å
18T84.3Confident80.6Confident6 Ų677.1 Ų77.14%0.03739%0.391CS..Hα-helixtrans-60.6-42.6175-60.20000111.3L14 K15 A20 L21 R22 A44L14-T18 PolarHBondContact O-N 3.23Å; L14-T18 PolarHBondContact O-OG1 2.76Å; L14-T18 VanDerWaalsContact O-OG1 3.08Å; K15-T18 PolarHBondContact O-N 3.03Å; T18-A20 VanDerWaalsContact C-N 3.34Å; T18-A20 PolarHBondContact O-N 3.37Å; T18-L21 PolarHBondContact O-N 3.28Å; T18-R22 WeakPolarHBondContact O-CB 3.49Å; T18-R22 PolarHBondContact O-N 3.45Å; T18-A44 HydrophobicContact CG2-CB 4.17Å
19S84.4Confident82Confident56 Ų5673 Ų7339%0.39238%0.375SS..Hα-helixtrans-65.5-36.4177.3-172.40000112.7K15 S16 K17 R22 A23K15-S19 WeakPolarHBondContact O-CB 3.46Å; K15-S19 PolarHBondContact O-N 3.47Å; S16-S19 PolarHBondContact O-N 2.99Å; K17-S19 VanDerWaalsContact C-N 3.33Å; K17-S19 PolarHBondContact O-N 3.48Å; S19-R22 PolarHBondContact O-N 3.02Å; S19-A23 WeakPolarHBondContact O-CB 3.4Å; S19-A23 PolarHBondContact O-N 3.01Å
20A85.8Confident82.6Confident63 Ų6379 Ų7952%0.52139%0.389SS..Hα-helixtrans-65.7-44.4175.700000111.7S16 K17 T18 R22 A23 D24S16-A20 PolarHBondContact O-N 3.34Å; K17-A20 PolarHBondContact O-N 2.96Å; T18-A20 VanDerWaalsContact C-N 3.34Å; T18-A20 PolarHBondContact O-N 3.37Å; A20-R22 VanDerWaalsContact C-N 3.35Å; A20-R22 PolarHBondContact O-N 3.43Å; A20-A23 PolarHBondContact O-N 3.01Å; A20-D24 WeakPolarHBondContact O-CB 3.38Å; A20-D24 PolarHBondContact O-N 3.11Å
21L87.6Confident83.3Confident48 Ų4876.7 Ų76.725%0.25138%0.377SS..Hα-helixtrans-66.3-35.9176.4-73.1164.9000112.6K17 T18 G25 A43 A44 L47K17-L21 PolarHBondContact O-N 3.22Å; T18-L21 PolarHBondContact O-N 3.28Å; L21-G25 PolarHBondContact O-N 3.34Å; L21-A43 HydrophobicContact CD1-CB 4.37Å; L21-A44 HydrophobicContact CB-CB 3.93Å; L21-L47 HydrophobicContact CD1-CD1 3.29Å
22R88.9Confident84Confident48 Ų4880.4 Ų80.418%0.18139%0.386CS..Hα-helixtrans-62.8-45.9172.2-174.9-175.46073.56.7111.2T18 S19 A20 G25 E26 F41T18-R22 WeakPolarHBondContact O-CB 3.49Å; T18-R22 PolarHBondContact O-N 3.45Å; S19-R22 PolarHBondContact O-N 3.02Å; A20-R22 VanDerWaalsContact C-N 3.35Å; A20-R22 PolarHBondContact O-N 3.43Å; R22-G25 PolarHBondContact O-N 3.2Å; R22-E26 IonicContact CZ-OE1 2.76Å; R22-E26 IonicContact NH1-OE1 2.76Å; R22-E26 PolarHBondContact NH1-OE1 2.94Å; R22-E26 IonicContact NH1-OE2 2.65Å; R22-E26 PolarHBondContact NH1-OE2 3.15Å; R22-E26 VanDerWaalsContact NH1-OE2 3.08Å; R22-E26 WeakPolarHBondContact O-CG 3.3Å; R22-E26 PolarHBondContact O-N 3Å; R22-F41 HydrophobicContact CG-CE1 4.13Å; R22-F41 WeakPolarHBondContact O-CE1 3.37Å
23A86Confident84.8Confident48 Ų4880.9 Ų80.940%0.39739%0.388SS..Hα-helixtrans-64.6-40.5178.600000112.2S19 A20 E26 W27S19-A23 WeakPolarHBondContact O-CB 3.4Å; S19-A23 PolarHBondContact O-N 3.01Å; A20-A23 PolarHBondContact O-N 3.01Å; A23-E26 PolarHBondContact O-N 3.45Å; A23-W27 WeakPolarHBondContact O-CB 3.49Å; A23-W27 PolarHBondContact O-N 2.94Å
24D88.9Confident85.4Confident57 Ų5779.1 Ų79.131%0.30538%0.377SS..Hα-helixtrans-62-43.4173175.555.1000111.8A20 W27 K28 S40A20-D24 WeakPolarHBondContact O-CB 3.38Å; A20-D24 PolarHBondContact O-N 3.11Å; D24-W27 PolarHBondContact O-N 2.75Å; D24-K28 WeakPolarHBondContact O-CG 3.41Å; D24-K28 PolarHBondContact O-N 2.76Å; D24-K28 VanDerWaalsContact OD1-CE 3.29Å; D24-K28 WeakPolarHBondContact OD1-CE 3.48Å; D24-K28 IonicContact OD1-NZ 3.78Å; D24-K28 PolarHBondContact OD1-NZ 2.89Å; D24-K28 WeakPolarHBondContact OD2-CE 3.37Å; D24-K28 IonicContact OD2-NZ 3.27Å; D24-K28 PolarHBondContact OD2-NZ 2.94Å; D24-S40 PolarHBondContact OD2-OG 3.24Å
25G89Confident86.1Confident0 Ų083.6 Ų83.60%039%0.393CS..Hα-helixtrans-60.7-43.8173.300000113.2L21 R22 K28 Y29 A37L21-G25 PolarHBondContact O-N 3.34Å; R22-G25 PolarHBondContact O-N 3.2Å; G25-K28 PolarHBondContact O-N 3Å; G25-Y29 WeakPolarHBondContact O-CB 3.44Å; G25-Y29 PolarHBondContact O-N 3.4Å; G25-A37 WeakPolarHBondContact O-CB 3.44Å
26E87.3Confident86.5Confident57 Ų5783.5 Ų83.527%0.26639%0.394SS..Hα-helixtrans-64.7-39.7176.6-77.2170.2-170.600112R22 A23 Y29 R30 F41R22-E26 IonicContact CZ-OE1 2.76Å; R22-E26 IonicContact NH1-OE1 2.76Å; R22-E26 PolarHBondContact NH1-OE1 2.94Å; R22-E26 IonicContact NH1-OE2 2.65Å; R22-E26 PolarHBondContact NH1-OE2 3.15Å; R22-E26 VanDerWaalsContact NH1-OE2 3.08Å; R22-E26 WeakPolarHBondContact O-CG 3.3Å; R22-E26 PolarHBondContact O-N 3Å; A23-E26 PolarHBondContact O-N 3.45Å; E26-Y29 WeakPolarHBondContact O-CB 3.48Å; E26-Y29 PolarHBondContact O-N 3.23Å; E26-R30 WeakPolarHBondContact O-CG 3.35Å; E26-R30 PolarHBondContact O-N 3.39Å; E26-F41 HydrophobicContact CG-CE1 4.25Å; E26-F41 HydrophobicContact CG-CZ 4.03Å
27W88.8Confident86.8Confident148 Ų14879.5 Ų79.556%0.56137%0.367SS*.Hα-helixtrans-62.9-45.3175179.985.2000111.6A23 D24 Y29 R30 K31A23-W27 WeakPolarHBondContact O-CB 3.49Å; A23-W27 PolarHBondContact O-N 2.94Å; D24-W27 PolarHBondContact O-N 2.75Å; W27-Y29 VanDerWaalsContact C-N 3.33Å; W27-Y29 PolarHBondContact O-N 2.94Å; W27-R30 PolarHBondContact O-N 3.48Å; W27-K31 HydrophobicContact CZ2-CG 4.39Å; W27-K31 PolarHBondContact O-N 2.96Å
28K87.8Confident87.2Confident36 Ų3674.9 Ų74.916%0.15735%0.348CS..Hα-helixtrans-63.8-37.1175.2-72.3166.9178.81630112.6D24 G25 K31 R32 N33 Q36 A37 S40D24-K28 WeakPolarHBondContact O-CG 3.41Å; D24-K28 PolarHBondContact O-N 2.76Å; D24-K28 VanDerWaalsContact OD1-CE 3.29Å; D24-K28 WeakPolarHBondContact OD1-CE 3.48Å; D24-K28 IonicContact OD1-NZ 3.78Å; D24-K28 PolarHBondContact OD1-NZ 2.89Å; D24-K28 WeakPolarHBondContact OD2-CE 3.37Å; D24-K28 IonicContact OD2-NZ 3.27Å; D24-K28 PolarHBondContact OD2-NZ 2.94Å; G25-K28 PolarHBondContact O-N 3Å; K28-K31 CarbonylContact O-C 3.42Å; K28-K31 PolarHBondContact O-N 3.08Å; K28-R32 PolarHBondContact O-N 3.39Å; K28-N33 PolarHBondContact O-N 3.47Å; K28-Q36 HydrophobicContact CD-CB 4.07Å; K28-A37 HydrophobicContact CB-CB 3.9Å; K28-S40 PolarHBondContact NZ-OG 3.42Å
29Y85.2Confident87.6Confident65 Ų6579.8 Ų79.826%0.25537%0.374SS..Hα-helixtrans-60.8-45.7175-177.3-89.6000111.4G25 E26 W27 K31 R32 Y34 K60 C61 Q64G25-Y29 WeakPolarHBondContact O-CB 3.44Å; G25-Y29 PolarHBondContact O-N 3.4Å; E26-Y29 WeakPolarHBondContact O-CB 3.48Å; E26-Y29 PolarHBondContact O-N 3.23Å; W27-Y29 VanDerWaalsContact C-N 3.33Å; W27-Y29 PolarHBondContact O-N 2.94Å; Y29-K31 PolarHBondContact O-N 3.26Å; Y29-R32 WeakPolarHBondContact O-CA 3.43Å; Y29-R32 PolarHBondContact O-N 3.01Å; Y29-Y34 AromaticContact CD2-CD1 3.74Å; Y29-Y34 HydrophobicContact CD2-CD1 3.74Å; Y29-Y34 AromaticContact CD2-CE1 3.93Å; Y29-Y34 HydrophobicContact CD2-CE1 3.93Å; Y29-Y34 AromaticContact CE2-CD1 3.89Å; Y29-Y34 HydrophobicContact CE2-CD1 3.89Å; Y29-Y34 AromaticContact CE2-CE1 3.84Å; Y29-Y34 HydrophobicContact CE2-CE1 3.84Å; Y29-Y34 HydrophobicContact CG-CE1 4.47Å; Y29-K60 HydrophobicContact CE2-CB 3.98Å; Y29-C61 VanDerWaalsContact CD2-SG 3.58Å; Y29-Q64 HydrophobicContact CE2-CG 4Å
30R86.1Confident87.8Confident200 Ų20077.5 Ų77.576%0.75536%0.358SS*.Hα-helixtrans-62.1-29.2176.3-69.7178.3-170.6168.23.5113.1E26 W27 R32E26-R30 WeakPolarHBondContact O-CG 3.35Å; E26-R30 PolarHBondContact O-N 3.39Å; W27-R30 PolarHBondContact O-N 3.48Å; R30-R32 PolarHBondContact O-N 3.46Å
31K84.6Confident88.1Confident131 Ų13174.6 Ų74.657%0.5733%0.334SS*.THydrogen-bonded Turntrans-81.79.4173.9-66.6-65.2-175.1-178.20113.8W27 K28 Y29 N33W27-K31 HydrophobicContact CZ2-CG 4.39Å; W27-K31 PolarHBondContact O-N 2.96Å; K28-K31 CarbonylContact O-C 3.42Å; K28-K31 PolarHBondContact O-N 3.08Å; Y29-K31 PolarHBondContact O-N 3.26Å; K31-N33 PolarHBondContact O-N 3.35Å; K31-N33 VanDerWaalsContact O-N 3.17Å
32R83.1Confident88.4Confident196 Ų19673.9 Ų73.974%0.7433%0.331SS*.THydrogen-bonded Turntrans59.816.5-176.3-57.1-171.8175.3-163.2-0.6114.7K28 Y29 R30 Y34K28-R32 PolarHBondContact O-N 3.39Å; Y29-R32 WeakPolarHBondContact O-CA 3.43Å; Y29-R32 PolarHBondContact O-N 3.01Å; R30-R32 PolarHBondContact O-N 3.46Å; R32-Y34 VanDerWaalsContact C-N 3.31Å; R32-Y34 HydrophobicContact CB-CE2 4.26Å; R32-Y34 WeakPolarHBondContact O-CD2 3.45Å; R32-Y34 PolarHBondContact O-N 3.04Å; R32-Y34 VanDerWaalsContact O-N 3.11Å
33N88.4Confident88.4Confident80 Ų8073.1 Ų73.143%0.42834%0.335SS..  trans-8963.1178-75.8-24.6000111.4K28 K31 K35 Q36 A37K28-N33 PolarHBondContact O-N 3.47Å; K31-N33 PolarHBondContact O-N 3.35Å; K31-N33 VanDerWaalsContact O-N 3.17Å; N33-K35 PolarHBondContact O-N 2.94Å; N33-Q36 PolarHBondContact O-N 3.26Å; N33-A37 PolarHBondContact O-N 3.43Å
34Y87.8Confident88.6Confident43 Ų4370.9 Ų70.917%0.16932%0.316CS..Hα-helixtrans-61.6-36-169.1-51.7-56.5000114.4Y29 R32 A37 L38 Q64Y29-Y34 AromaticContact CD2-CD1 3.74Å; Y29-Y34 HydrophobicContact CD2-CD1 3.74Å; Y29-Y34 AromaticContact CD2-CE1 3.93Å; Y29-Y34 HydrophobicContact CD2-CE1 3.93Å; Y29-Y34 AromaticContact CE2-CD1 3.89Å; Y29-Y34 HydrophobicContact CE2-CD1 3.89Å; Y29-Y34 AromaticContact CE2-CE1 3.84Å; Y29-Y34 HydrophobicContact CE2-CE1 3.84Å; Y29-Y34 HydrophobicContact CG-CE1 4.47Å; R32-Y34 VanDerWaalsContact C-N 3.31Å; R32-Y34 HydrophobicContact CB-CE2 4.26Å; R32-Y34 WeakPolarHBondContact O-CD2 3.45Å; R32-Y34 PolarHBondContact O-N 3.04Å; R32-Y34 VanDerWaalsContact O-N 3.11Å; Y34-A37 PolarHBondContact O-N 3.42Å; Y34-L38 WeakPolarHBondContact O-CB 3.46Å; Y34-L38 PolarHBondContact O-N 3.26Å; Y34-Q64 HydrophobicContact CD1-CB 3.94Å; Y34-Q64 HydrophobicContact CD1-CG 4.2Å; Y34-Q64 HydrophobicContact CD2-CB 3.8Å; Y34-Q64 HydrophobicContact CE1-CB 3.94Å; Y34-Q64 HydrophobicContact CE1-CG 3.84Å; Y34-Q64 HydrophobicContact CE2-CB 3.78Å; Y34-Q64 HydrophobicContact CE2-CG 4.37Å; Y34-Q64 HydrophobicContact CG-CB 3.88Å
35K90.3Very high88.6Confident158 Ų15869 Ų6969%0.68731%0.306SS*.Hα-helixtrans-64.2-41.2178-66.3-178.1-179.4175.40112.3N33 N39 L65N33-K35 PolarHBondContact O-N 2.94Å; K35-N39 PolarHBondContact O-N 2.94Å; K35-L65 HydrophobicContact CG-CD1 4.48Å; K35-L65 HydrophobicContact CG-CD2 4.04Å
36Q86.3Confident88.7Confident106 Ų10676 Ų7650%0.49534%0.339SS..Hα-helixtrans-75.6-34.1178.2-63.7-176.66.700111.8K28 N33 L38 N39 S40K28-Q36 HydrophobicContact CD-CB 4.07Å; N33-Q36 PolarHBondContact O-N 3.26Å; Q36-L38 VanDerWaalsContact C-N 3.33Å; Q36-N39 PolarHBondContact O-N 3.04Å; Q36-S40 PolarHBondContact O-N 2.93Å; Q36-S40 PolarHBondContact O-OG 3.24Å
37A88.9Confident88.6Confident0 Ų076.5 Ų76.50%034%0.343CS..Hα-helixtrans-60.3-43.8172.500000111.2G25 K28 N33 Y34 N39 S40 F41G25-A37 WeakPolarHBondContact O-CB 3.44Å; K28-A37 HydrophobicContact CB-CB 3.9Å; N33-A37 PolarHBondContact O-N 3.43Å; Y34-A37 PolarHBondContact O-N 3.42Å; A37-N39 PolarHBondContact O-N 3.36Å; A37-S40 WeakPolarHBondContact O-CB 3.43Å; A37-S40 PolarHBondContact O-N 3.34Å; A37-S40 VanDerWaalsContact O-N 3.07Å; A37-F41 HydrophobicContact CB-CD2 4.45Å; A37-F41 HydrophobicContact CB-CE2 4.11Å; A37-F41 WeakPolarHBondContact O-CD2 3.46Å; A37-F41 PolarHBondContact O-N 3.39Å
38L92.1Very high88.4Confident26 Ų2670.5 Ų70.514%0.13632%0.324CS..Hα-helixtrans-59.1-43.3177.5-169.8159.6000112.6Y34 Q36 S40 F41 T42 R58 Y62 L65Y34-L38 WeakPolarHBondContact O-CB 3.46Å; Y34-L38 PolarHBondContact O-N 3.26Å; Q36-L38 VanDerWaalsContact C-N 3.33Å; L38-S40 VanDerWaalsContact C-N 3.28Å; L38-S40 PolarHBondContact O-N 3.02Å; L38-F41 PolarHBondContact O-N 2.92Å; L38-T42 WeakPolarHBondContact O-CB 3.46Å; L38-T42 PolarHBondContact O-N 3.5Å; L38-T42 PolarHBondContact O-OG1 3.38Å; L38-R58 HydrophobicContact CG-CG 4.29Å; L38-Y62 HydrophobicContact CD1-CD1 3.8Å; L38-Y62 HydrophobicContact CD1-CE1 3.37Å; L38-Y62 HydrophobicContact CG-CE1 4.34Å; L38-L65 HydrophobicContact CD1-CD1 3.89Å
39N91.6Very high88.1Confident110 Ų11073.1 Ų73.159%0.58834%0.344SS*.Hα-helixtrans-60.6-40.8175-67.3-10.2000111.4K35 Q36 A37 T42 A43K35-N39 PolarHBondContact O-N 2.94Å; Q36-N39 PolarHBondContact O-N 3.04Å; A37-N39 PolarHBondContact O-N 3.36Å; N39-T42 PolarHBondContact O-N 3.5Å; N39-A43 WeakPolarHBondContact O-CB 3.44Å; N39-A43 PolarHBondContact O-N 2.91Å
40S90Very high87.9Confident8 Ų878.6 Ų78.66%0.05637%0.369CS..Hα-helixtrans-68.6-40.8-179.1-460000111.2D24 K28 Q36 A37 L38 A44D24-S40 PolarHBondContact OD2-OG 3.24Å; K28-S40 PolarHBondContact NZ-OG 3.42Å; Q36-S40 PolarHBondContact O-N 2.93Å; Q36-S40 PolarHBondContact O-OG 3.24Å; A37-S40 WeakPolarHBondContact O-CB 3.43Å; A37-S40 PolarHBondContact O-N 3.34Å; A37-S40 VanDerWaalsContact O-N 3.07Å; L38-S40 VanDerWaalsContact C-N 3.28Å; L38-S40 PolarHBondContact O-N 3.02Å; S40-A44 PolarHBondContact O-N 3.38Å; S40-A44 VanDerWaalsContact O-N 3.08Å
41F92.2Very high87.8Confident2 Ų272.1 Ų72.11%0.00935%0.348CS..Hα-helixtrans-70-35.3173.8-66-52.1000113.2R22 E26 A37 L38 A44 I45 S57 R58 C61R22-F41 HydrophobicContact CG-CE1 4.13Å; R22-F41 WeakPolarHBondContact O-CE1 3.37Å; E26-F41 HydrophobicContact CG-CE1 4.25Å; E26-F41 HydrophobicContact CG-CZ 4.03Å; A37-F41 HydrophobicContact CB-CD2 4.45Å; A37-F41 HydrophobicContact CB-CE2 4.11Å; A37-F41 WeakPolarHBondContact O-CD2 3.46Å; A37-F41 PolarHBondContact O-N 3.39Å; L38-F41 PolarHBondContact O-N 2.92Å; F41-A44 WeakPolarHBondContact O-CB 3.38Å; F41-A44 PolarHBondContact O-N 2.65Å; F41-I45 VanDerWaalsContact O-CG1 3.29Å; F41-I45 WeakPolarHBondContact O-CG1 3.35Å; F41-I45 PolarHBondContact O-N 3.08Å; F41-S57 VanDerWaalsContact CE1-CB 3.47Å; F41-S57 VanDerWaalsContact CZ-CB 3.43Å; F41-R58 HydrophobicContact CB-CB 3.92Å; F41-R58 HydrophobicContact CB-CG 4.23Å; F41-R58 HydrophobicContact CG-CB 4.47Å; F41-C61 VanDerWaalsContact CE2-SG 3.55Å
42T92.5Very high88Confident33 Ų3369 Ų6920%0.20233%0.334CS..Hα-helixtrans-66.1-44.8176.5-58.70000110.9L38 N39 A44 I45 E46 R58L38-T42 WeakPolarHBondContact O-CB 3.46Å; L38-T42 PolarHBondContact O-N 3.5Å; L38-T42 PolarHBondContact O-OG1 3.38Å; N39-T42 PolarHBondContact O-N 3.5Å; T42-A44 VanDerWaalsContact C-N 3.26Å; T42-A44 PolarHBondContact O-N 2.68Å; T42-I45 PolarHBondContact O-N 3Å; T42-I45 VanDerWaalsContact O-N 3.15Å; T42-E46 WeakPolarHBondContact O-CG 3.49Å; T42-E46 PolarHBondContact O-N 2.93Å; T42-R58 WeakPolarHBondContact OG1-CD 3.42Å; T42-R58 PolarHBondContact OG1-NH1 3.07Å
43A90.2Very high88.2Confident32 Ų3265.9 Ų65.926%0.26432%0.322SS..Hα-helixtrans-59.7-36.6172.100000112.4L21 N39 L47L21-A43 HydrophobicContact CD1-CB 4.37Å; N39-A43 WeakPolarHBondContact O-CB 3.44Å; N39-A43 PolarHBondContact O-N 2.91Å; A43-L47 WeakPolarHBondContact O-CG 3.41Å; A43-L47 PolarHBondContact O-N 3.35Å
44A88.9Confident88.3Confident0 Ų062.1 Ų62.10%030%0.302CS..Hα-helixtrans-65.9-39.3175.500000112.7T18 L21 S40 F41 T42 L47 S48T18-A44 HydrophobicContact CG2-CB 4.17Å; L21-A44 HydrophobicContact CB-CB 3.93Å; S40-A44 PolarHBondContact O-N 3.38Å; S40-A44 VanDerWaalsContact O-N 3.08Å; F41-A44 WeakPolarHBondContact O-CB 3.38Å; F41-A44 PolarHBondContact O-N 2.65Å; T42-A44 VanDerWaalsContact C-N 3.26Å; T42-A44 PolarHBondContact O-N 2.68Å; A44-L47 PolarHBondContact O-N 2.92Å; A44-S48 PolarHBondContact O-N 2.9Å
45I90.3Very high88.5Confident17 Ų1761.2 Ų61.29%0.08730%0.299CS..Hα-helixtrans-70.4-38.5178.2-68.4163.5000111.2F41 T42 L47 S48 P49 C54 F55 R58F41-I45 VanDerWaalsContact O-CG1 3.29Å; F41-I45 WeakPolarHBondContact O-CG1 3.35Å; F41-I45 PolarHBondContact O-N 3.08Å; T42-I45 PolarHBondContact O-N 3Å; T42-I45 VanDerWaalsContact O-N 3.15Å; I45-L47 VanDerWaalsContact C-N 3.26Å; I45-L47 PolarHBondContact O-N 3.28Å; I45-S48 CarbonylContact O-C 3.54Å; I45-S48 PolarHBondContact O-N 3.3Å; I45-P49 WeakPolarHBondContact O-CA 3.43Å; I45-P49 VanDerWaalsContact O-N 3.13Å; I45-C54 HydrophobicContact CD1-CB 4.27Å; I45-C54 HydrophobicContact CG1-CB 3.67Å; I45-F55 HydrophobicContact CD1-CD1 3.9Å; I45-F55 HydrophobicContact CD1-CE1 4.04Å; I45-F55 HydrophobicContact CD1-CG 4.3Å; I45-F55 HydrophobicContact CG1-CE1 4.41Å; I45-F55 HydrophobicContact CG1-CZ 4.44Å; I45-F55 HydrophobicContact CG2-CE1 3.83Å; I45-F55 HydrophobicContact CG2-CE2 4.37Å; I45-F55 HydrophobicContact CG2-CZ 3.63Å; I45-R58 HydrophobicContact CD1-CB 4.4Å
46E89.6Confident88.7Confident149 Ų14954.1 Ų54.170%0.69627%0.269SS*.Hα-helixtrans-60.8-36.7174.5-74.3173.9-177.400112.1T42T42-E46 WeakPolarHBondContact O-CG 3.49Å; T42-E46 PolarHBondContact O-N 2.93Å
47L86.1Confident88.9Confident66 Ų6649.9 Ų49.935%0.34625%0.251SS..Hα-helixtrans-75.9-38.6176.8-70.1170.5000112.9L14 L21 A43 A44 I45L14-L47 HydrophobicContact CD1-CB 3.91Å; L14-L47 HydrophobicContact CD1-CD2 3.85Å; L14-L47 HydrophobicContact CD1-CG 4.41Å; L14-L47 WeakPolarHBondContact CD2-O 3.45Å; L21-L47 HydrophobicContact CD1-CD1 3.29Å; A43-L47 WeakPolarHBondContact O-CG 3.41Å; A43-L47 PolarHBondContact O-N 3.35Å; A44-L47 PolarHBondContact O-N 2.92Å; I45-L47 VanDerWaalsContact C-N 3.26Å; I45-L47 PolarHBondContact O-N 3.28Å
48S84.2Confident89.2Confident23 Ų2351.4 Ų51.416%0.16126%0.257CS..  trans-137.990.9178.4-1730000111.2A44 I45 K50 E51A44-S48 PolarHBondContact O-N 2.9Å; I45-S48 CarbonylContact O-C 3.54Å; I45-S48 PolarHBondContact O-N 3.3Å; S48-K50 PolarHBondContact O-N 2.82Å; S48-E51 PolarHBondContact O-N 3.2Å
49P82.4Confident89.3Confident90 Ų9050.2 Ų50.258%0.58425%0.25SS*.THydrogen-bonded Turntrans-64.8-11.2-179-24.434.5000114.6I45 F55I45-P49 WeakPolarHBondContact O-CA 3.43Å; I45-P49 VanDerWaalsContact O-N 3.13Å; P49-F55 WeakPolarHBondContact O-CE2 3.44Å
50K79.9Confident89.3Confident180 Ų18048.7 Ų48.778%0.78324%0.239SC*.THydrogen-bonded Turntrans-92.9-7.8-177.6-63.2-174.3177.8-1760113.6S48 K52S48-K50 PolarHBondContact O-N 2.82Å; K50-K52 PolarHBondContact O-N 3.1Å; K50-K52 VanDerWaalsContact O-N 3.08Å
51E84.3Confident89.3Confident65 Ų6548.3 Ų48.330%0.30424%0.236SC..  trans-80.393-175.1-173.358.2-133.500111.6S48 R53 C54 F55S48-E51 PolarHBondContact O-N 3.2Å; E51-R53 PolarHBondContact O-N 2.99Å; E51-R53 VanDerWaalsContact O-N 3.17Å; E51-C54 HydrophobicContact CG-CB 4.32Å; E51-C54 PolarHBondContact O-N 3.36Å; E51-C54 VanDerWaalsContact O-N 3.15Å; E51-F55 WeakPolarHBondContact O-CD2 3.4Å
52K87.9Confident89.2Confident65 Ų6549.7 Ų49.728%0.28324%0.241SC..Hα-helixtrans-57-30.2-178.464-172.2-175.8-173.30114.7K50 C54 F55 V56 D82 F85K50-K52 PolarHBondContact O-N 3.1Å; K50-K52 VanDerWaalsContact O-N 3.08Å; K52-C54 PolarHBondContact O-N 3.09Å; K52-F55 PolarHBondContact O-N 3.25Å; K52-V56 PolarHBondContact O-N 2.78Å; K52-D82 HydrophobicContact CD-CB 4.46Å; K52-D82 IonicContact NZ-OD2 3.58Å; K52-D82 PolarHBondContact NZ-OD2 3.28Å; K52-F85 HydrophobicContact CB-CD1 4.26Å; K52-F85 HydrophobicContact CB-CE1 4.05Å; K52-F85 HydrophobicContact CD-CB 4.36Å; K52-F85 HydrophobicContact CD-CD1 3.71Å; K52-F85 HydrophobicContact CD-CD2 4Å; K52-F85 HydrophobicContact CD-CE1 3.91Å; K52-F85 HydrophobicContact CD-CE2 4.19Å; K52-F85 HydrophobicContact CD-CG 3.76Å; K52-F85 HydrophobicContact CD-CZ 4.15Å; K52-F85 VanDerWaalsContact CE-CD2 3.49Å; K52-F85 HydrophobicContact CG-CD1 4.03Å; K52-F85 HydrophobicContact CG-CE1 3.73Å; K52-F85 HydrophobicContact CG-CE2 4.43Å; K52-F85 HydrophobicContact CG-CZ 3.95Å
53R88Confident89.1Confident131 Ų13148.7 Ų48.749%0.49424%0.235SC..Hα-helixtrans-67.8-33.7179.2-71.1-178.2169.5-176.5-2.1112.9E51 F55 V56 S57 F85E51-R53 PolarHBondContact O-N 2.99Å; E51-R53 VanDerWaalsContact O-N 3.17Å; R53-F55 VanDerWaalsContact C-N 3.32Å; R53-F55 PolarHBondContact O-N 2.94Å; R53-V56 PolarHBondContact O-N 3.46Å; R53-S57 PolarHBondContact O-N 2.97Å; R53-S57 PolarHBondContact O-OG 3.34Å; R53-F85 HydrophobicContact CG-CZ 4.16Å
54C90.1Very high89Confident0 Ų051.3 Ų51.30%024%0.242CC..Hα-helixtrans-66.2-37178.2-70.70000111.6I45 E51 K52 S57 R58I45-C54 HydrophobicContact CD1-CB 4.27Å; I45-C54 HydrophobicContact CG1-CB 3.67Å; E51-C54 HydrophobicContact CG-CB 4.32Å; E51-C54 PolarHBondContact O-N 3.36Å; E51-C54 VanDerWaalsContact O-N 3.15Å; K52-C54 PolarHBondContact O-N 3.09Å; C54-S57 PolarHBondContact O-N 3.27Å; C54-R58 WeakPolarHBondContact O-CB 3.43Å; C54-R58 PolarHBondContact O-N 3.04Å
55F93.3Very high88.8Confident25 Ų2553.9 Ų53.911%0.1126%0.255CS..Hα-helixtrans-63.9-44.1173.1-68.6-78.1000112.2I45 P49 E51 K52 R53 S57 R58 S59 D74 A77I45-F55 HydrophobicContact CD1-CD1 3.9Å; I45-F55 HydrophobicContact CD1-CE1 4.04Å; I45-F55 HydrophobicContact CD1-CG 4.3Å; I45-F55 HydrophobicContact CG1-CE1 4.41Å; I45-F55 HydrophobicContact CG1-CZ 4.44Å; I45-F55 HydrophobicContact CG2-CE1 3.83Å; I45-F55 HydrophobicContact CG2-CE2 4.37Å; I45-F55 HydrophobicContact CG2-CZ 3.63Å; P49-F55 WeakPolarHBondContact O-CE2 3.44Å; E51-F55 WeakPolarHBondContact O-CD2 3.4Å; K52-F55 PolarHBondContact O-N 3.25Å; R53-F55 VanDerWaalsContact C-N 3.32Å; R53-F55 PolarHBondContact O-N 2.94Å; F55-S57 PolarHBondContact O-N 3.15Å; F55-R58 PolarHBondContact O-N 2.97Å; F55-S59 WeakPolarHBondContact O-CB 3.46Å; F55-S59 PolarHBondContact O-N 3.34Å; F55-D74 WeakPolarHBondContact CB-O 3.29Å; F55-A77 HydrophobicContact CD1-CB 3.77Å; F55-A77 HydrophobicContact CE1-CB 3.9Å; F55-A77 HydrophobicContact CG-CB 4.21Å; F55-A77 HydrophobicContact CZ-CB 4.44Å
56V93.4Very high88.5Confident8 Ų855.1 Ų55.15%0.04827%0.272CS..Hα-helixtrans-59.4-48.1175172.20000111.2K52 R53 R58 S59 K60 F85 E87 Q91K52-V56 PolarHBondContact O-N 2.78Å; R53-V56 PolarHBondContact O-N 3.46Å; V56-R58 VanDerWaalsContact C-N 3.34Å; V56-R58 PolarHBondContact O-N 3.23Å; V56-S59 WeakPolarHBondContact O-CB 3.44Å; V56-S59 PolarHBondContact O-N 3.08Å; V56-K60 WeakPolarHBondContact O-CG 3.44Å; V56-K60 PolarHBondContact O-N 2.85Å; V56-F85 HydrophobicContact CG2-CE1 3.69Å; V56-F85 HydrophobicContact CG2-CZ 4.4Å; V56-E87 HydrophobicContact CG1-CB 4.49Å; V56-Q91 HydrophobicContact CG1-CB 4.18Å; V56-Q91 HydrophobicContact CG1-CG 4.25Å
57S91.8Very high88.4Confident17 Ų1752.1 Ų52.112%0.11926%0.258CS..Hα-helixtrans-65.9-34.6-179.7-600000112.9F41 R53 C54 F55 K60 C61F41-S57 VanDerWaalsContact CE1-CB 3.47Å; F41-S57 VanDerWaalsContact CZ-CB 3.43Å; R53-S57 PolarHBondContact O-N 2.97Å; R53-S57 PolarHBondContact O-OG 3.34Å; C54-S57 PolarHBondContact O-N 3.27Å; F55-S57 PolarHBondContact O-N 3.15Å; S57-K60 PolarHBondContact O-N 3.39Å; S57-C61 PolarHBondContact O-N 2.97Å; S57-C61 PolarHBondContact O-SG 3.08Å
58R93.9Very high88.5Confident33 Ų3352 Ų5213%0.12526%0.255CS..Hα-helixtrans-70.3-40.4173.9-166.2171.667.7179.4-0.8111.9L38 F41 T42 I45 C54 F55 V56 K60 C61 Y62 D74L38-R58 HydrophobicContact CG-CG 4.29Å; F41-R58 HydrophobicContact CB-CB 3.92Å; F41-R58 HydrophobicContact CB-CG 4.23Å; F41-R58 HydrophobicContact CG-CB 4.47Å; T42-R58 WeakPolarHBondContact OG1-CD 3.42Å; T42-R58 PolarHBondContact OG1-NH1 3.07Å; I45-R58 HydrophobicContact CD1-CB 4.4Å; C54-R58 WeakPolarHBondContact O-CB 3.43Å; C54-R58 PolarHBondContact O-N 3.04Å; F55-R58 PolarHBondContact O-N 2.97Å; V56-R58 VanDerWaalsContact C-N 3.34Å; V56-R58 PolarHBondContact O-N 3.23Å; R58-K60 VanDerWaalsContact C-N 3.32Å; R58-K60 PolarHBondContact O-N 3.15Å; R58-C61 WeakPolarHBondContact O-CA 3.46Å; R58-C61 VanDerWaalsContact O-CB 3.3Å; R58-C61 WeakPolarHBondContact O-CB 3.41Å; R58-C61 PolarHBondContact O-N 3.17Å; R58-C61 VanDerWaalsContact O-N 3.08Å; R58-Y62 HydrophobicContact CG-CD2 4.17Å; R58-Y62 HydrophobicContact CG-CE2 3.74Å; R58-Y62 WeakPolarHBondContact O-CD2 3.47Å; R58-Y62 PolarHBondContact O-N 3.38Å; R58-D74 WeakPolarHBondContact CB-OD2 3.29Å; R58-D74 WeakPolarHBondContact CG-OD2 3.38Å; R58-D74 IonicContact CZ-OD1 2.66Å; R58-D74 IonicContact CZ-OD2 3.35Å; R58-D74 IonicContact NE-OD1 3.83Å; R58-D74 PolarHBondContact NE-OD1 2.9Å; R58-D74 IonicContact NE-OD2 3.82Å; R58-D74 PolarHBondContact NE-OD2 3.41Å; R58-D74 IonicContact NH2-OD1 2.68Å; R58-D74 PolarHBondContact NH2-OD1 3.2Å; R58-D74 IonicContact NH2-OD2 3.08Å
59S93.7Very high88.7Confident0 Ų057.4 Ų57.40%027%0.272CS..Hα-helixtrans-57.5-42.2172.5176.90000112.3F55 V56 C61 Y62 I63 A71 Q91F55-S59 WeakPolarHBondContact O-CB 3.46Å; F55-S59 PolarHBondContact O-N 3.34Å; V56-S59 WeakPolarHBondContact O-CB 3.44Å; V56-S59 PolarHBondContact O-N 3.08Å; S59-C61 VanDerWaalsContact C-N 3.29Å; S59-C61 PolarHBondContact O-N 3.35Å; S59-Y62 WeakPolarHBondContact O-CB 3.45Å; S59-Y62 PolarHBondContact O-N 2.66Å; S59-Y62 VanDerWaalsContact O-N 3.12Å; S59-I63 PolarHBondContact O-N 2.81Å; S59-A71 WeakPolarHBondContact OG-CA 3.48Å; S59-A71 WeakPolarHBondContact OG-CB 3.02Å; S59-A71 PolarHBondContact OG-O 3.44Å; S59-Q91 WeakPolarHBondContact OG-CG 3.15Å
60K91.4Very high89Confident79 Ų7956.2 Ų56.234%0.34326%0.26SS..Hα-helixtrans-57.9-43.3174.1-70.4179.7179.9-173.90111.7Y29 V56 S57 R58 Y62 I63 Q64Y29-K60 HydrophobicContact CE2-CB 3.98Å; V56-K60 WeakPolarHBondContact O-CG 3.44Å; V56-K60 PolarHBondContact O-N 2.85Å; S57-K60 PolarHBondContact O-N 3.39Å; R58-K60 VanDerWaalsContact C-N 3.32Å; R58-K60 PolarHBondContact O-N 3.15Å; K60-Y62 VanDerWaalsContact C-N 3.32Å; K60-Y62 PolarHBondContact O-N 3.48Å; K60-I63 PolarHBondContact O-N 3.05Å; K60-Q64 WeakPolarHBondContact O-CG 3.44Å; K60-Q64 PolarHBondContact O-N 3.42Å
61C90.9Very high89.5Confident0 Ų047.6 Ų47.60%022%0.223CC..Hα-helixtrans-61.8-40.9175.6-59.60000111.8Y29 F41 S57 R58 S59 Q64 L65Y29-C61 VanDerWaalsContact CD2-SG 3.58Å; F41-C61 VanDerWaalsContact CE2-SG 3.55Å; S57-C61 PolarHBondContact O-N 2.97Å; S57-C61 PolarHBondContact O-SG 3.08Å; R58-C61 WeakPolarHBondContact O-CA 3.46Å; R58-C61 VanDerWaalsContact O-CB 3.3Å; R58-C61 WeakPolarHBondContact O-CB 3.41Å; R58-C61 PolarHBondContact O-N 3.17Å; R58-C61 VanDerWaalsContact O-N 3.08Å; S59-C61 VanDerWaalsContact C-N 3.29Å; S59-C61 PolarHBondContact O-N 3.35Å; C61-Q64 PolarHBondContact O-N 3.03Å; C61-L65 VanDerWaalsContact O-CG 3.31Å; C61-L65 WeakPolarHBondContact O-CG 3.46Å; C61-L65 PolarHBondContact O-N 3.28Å; C61-L65 VanDerWaalsContact O-N 3.08Å
62Y91.2Very high89.8Confident31 Ų3145.8 Ų45.812%0.12222%0.215CC..Hα-helixtrans-63.8-38.7178.1-78.9-52.5000112.9L38 R58 S59 K60 L65 G66 Q67 N70 D74L38-Y62 HydrophobicContact CD1-CD1 3.8Å; L38-Y62 HydrophobicContact CD1-CE1 3.37Å; L38-Y62 HydrophobicContact CG-CE1 4.34Å; R58-Y62 HydrophobicContact CG-CD2 4.17Å; R58-Y62 HydrophobicContact CG-CE2 3.74Å; R58-Y62 WeakPolarHBondContact O-CD2 3.47Å; R58-Y62 PolarHBondContact O-N 3.38Å; S59-Y62 WeakPolarHBondContact O-CB 3.45Å; S59-Y62 PolarHBondContact O-N 2.66Å; S59-Y62 VanDerWaalsContact O-N 3.12Å; K60-Y62 VanDerWaalsContact C-N 3.32Å; K60-Y62 PolarHBondContact O-N 3.48Å; Y62-L65 CarbonylContact O-C 3.57Å; Y62-L65 PolarHBondContact O-N 3Å; Y62-G66 PolarHBondContact O-N 3.23Å; Y62-Q67 HydrophobicContact CD1-CB 3.86Å; Y62-Q67 HydrophobicContact CD1-CG 4.48Å; Y62-Q67 VanDerWaalsContact CD1-OE1 3.24Å; Y62-Q67 HydrophobicContact CG-CB 4.48Å; Y62-Q67 PolarHBondContact O-N 2.89Å; Y62-N70 HydrophobicContact CD1-CB 3.76Å; Y62-N70 HydrophobicContact CD2-CB 3.79Å; Y62-N70 HydrophobicContact CE1-CB 3.84Å; Y62-N70 HydrophobicContact CE2-CB 3.89Å; Y62-N70 HydrophobicContact CG-CB 3.75Å; Y62-D74 VanDerWaalsContact CE2-OD2 3.26Å; Y62-D74 WeakPolarHBondContact CE2-OD2 3.22Å
63I88.8Confident90Very high11 Ų1147.6 Ų47.66%0.05623%0.227CC..Hα-helixtrans-60.6-48.7173.6-67.4-179.3000110.7S59 K60 L65 G66 A71 E94 Y98S59-I63 PolarHBondContact O-N 2.81Å; K60-I63 PolarHBondContact O-N 3.05Å; I63-L65 PolarHBondContact O-N 3.32Å; I63-L65 VanDerWaalsContact O-N 3.17Å; I63-G66 PolarHBondContact O-N 3.31Å; I63-A71 HydrophobicContact CD1-CB 4.4Å; I63-A71 HydrophobicContact CG1-CB 3.64Å; I63-E94 HydrophobicContact CD1-CB 3.87Å; I63-Y98 HydrophobicContact CD1-CD2 4.14Å; I63-Y98 HydrophobicContact CG2-CD2 3.48Å; I63-Y98 VanDerWaalsContact CG2-CD2 3.48Å; I63-Y98 HydrophobicContact CG2-CE2 3.51Å; I63-Y98 HydrophobicContact CG2-CG 4.09Å
64Q88.9Confident90.2Very high88 Ų8841.9 Ų41.941%0.41121%0.207SC..Hα-helixtrans-63.1-22.5178.8-61.9-58.1-42.100113.4Y29 Y34 K60 C61Y29-Q64 HydrophobicContact CE2-CG 4Å; Y34-Q64 HydrophobicContact CD1-CB 3.94Å; Y34-Q64 HydrophobicContact CD1-CG 4.2Å; Y34-Q64 HydrophobicContact CD2-CB 3.8Å; Y34-Q64 HydrophobicContact CE1-CB 3.94Å; Y34-Q64 HydrophobicContact CE1-CG 3.84Å; Y34-Q64 HydrophobicContact CE2-CB 3.78Å; Y34-Q64 HydrophobicContact CE2-CG 4.37Å; Y34-Q64 HydrophobicContact CG-CB 3.88Å; K60-Q64 WeakPolarHBondContact O-CG 3.44Å; K60-Q64 PolarHBondContact O-N 3.42Å; C61-Q64 PolarHBondContact O-N 3.03Å
65L85Confident90.3Very high54 Ų5441.9 Ų41.928%0.28321%0.207SC..THydrogen-bonded Turntrans-93.11175.7-68.6172.2000113.6K35 L38 C61 Y62 I63 Q67K35-L65 HydrophobicContact CG-CD1 4.48Å; K35-L65 HydrophobicContact CG-CD2 4.04Å; L38-L65 HydrophobicContact CD1-CD1 3.89Å; C61-L65 VanDerWaalsContact O-CG 3.31Å; C61-L65 WeakPolarHBondContact O-CG 3.46Å; C61-L65 PolarHBondContact O-N 3.28Å; C61-L65 VanDerWaalsContact O-N 3.08Å; Y62-L65 CarbonylContact O-C 3.57Å; Y62-L65 PolarHBondContact O-N 3Å; I63-L65 PolarHBondContact O-N 3.32Å; I63-L65 VanDerWaalsContact O-N 3.17Å; L65-Q67 VanDerWaalsContact C-N 3.3Å; L65-Q67 HydrophobicContact CB-CG 4.48Å; L65-Q67 PolarHBondContact O-N 3.36Å
66G83.5Confident90.1Very high43 Ų4344.6 Ų44.644%0.44322%0.219SC..THydrogen-bonded Turntrans75.311.8-177.900000115Y62 I63 F68Y62-G66 PolarHBondContact O-N 3.23Å; I63-G66 PolarHBondContact O-N 3.31Å; G66-F68 PolarHBondContact O-N 3.35Å
67Q88.3Confident89.9Confident85 Ų8546.1 Ų46.140%0.39723%0.233SC..  trans-9663.2-178.1-62.5-175.414.700111.6Y62 L65 R69 N70 A71Y62-Q67 HydrophobicContact CD1-CB 3.86Å; Y62-Q67 HydrophobicContact CD1-CG 4.48Å; Y62-Q67 VanDerWaalsContact CD1-OE1 3.24Å; Y62-Q67 HydrophobicContact CG-CB 4.48Å; Y62-Q67 PolarHBondContact O-N 2.89Å; L65-Q67 VanDerWaalsContact C-N 3.3Å; L65-Q67 HydrophobicContact CB-CG 4.48Å; L65-Q67 PolarHBondContact O-N 3.36Å; Q67-R69 VanDerWaalsContact C-N 3.32Å; Q67-R69 PolarHBondContact O-N 3.46Å; Q67-N70 HydrophobicContact CB-CB 4.36Å; Q67-N70 PolarHBondContact O-N 3.35Å; Q67-N70 VanDerWaalsContact O-N 3.15Å; Q67-N70 PolarHBondContact OE1-ND2 3.29Å; Q67-A71 PolarHBondContact O-N 3.24Å
68F87.9Confident89.9Confident65 Ų6545.3 Ų45.329%0.28523%0.227SC..Hα-helixtrans-63.1-31.7-168.4-45.6-54.4000114.7G66 A71 L72 Y98 M99G66-F68 PolarHBondContact O-N 3.35Å; F68-A71 WeakPolarHBondContact O-CB 3.42Å; F68-A71 PolarHBondContact O-N 2.98Å; F68-L72 PolarHBondContact O-N 3.18Å; F68-Y98 VanDerWaalsContact CD1-CB 3.49Å; F68-Y98 HydrophobicContact CD1-CG 4.29Å; F68-Y98 WeakPolarHBondContact CD2-O 3.49Å; F68-Y98 HydrophobicContact CE1-CD1 4.24Å; F68-Y98 HydrophobicContact CE1-CG 4.06Å; F68-M99 HydrophobicContact CB-CG 3.58Å
69R87.6Confident89.6Confident136 Ų13644.8 Ų44.851%0.51323%0.227SC..Hα-helixtrans-65.4-41.3176-66.6-178.8-177.7-142.4-5.4112.8Q67 A71 L72 L73 V166Q67-R69 VanDerWaalsContact C-N 3.32Å; Q67-R69 PolarHBondContact O-N 3.46Å; R69-A71 VanDerWaalsContact C-N 3.29Å; R69-L72 PolarHBondContact O-N 3.47Å; R69-L73 WeakPolarHBondContact O-CG 3.37Å; R69-L73 PolarHBondContact O-N 3.32Å; R69-V166 PolarHBondContact NH1-O 3.46Å; R69-V166 PolarHBondContact NH2-O 3.41Å
70N88.5Confident89.3Confident64 Ų6448.5 Ų48.534%0.34226%0.257SS..Hα-helixtrans-68.2-35.2177-67.3-18.6000110.5Y62 Q67 L73 D74Y62-N70 HydrophobicContact CD1-CB 3.76Å; Y62-N70 HydrophobicContact CD2-CB 3.79Å; Y62-N70 HydrophobicContact CE1-CB 3.84Å; Y62-N70 HydrophobicContact CE2-CB 3.89Å; Y62-N70 HydrophobicContact CG-CB 3.75Å; Q67-N70 HydrophobicContact CB-CB 4.36Å; Q67-N70 PolarHBondContact O-N 3.35Å; Q67-N70 VanDerWaalsContact O-N 3.15Å; Q67-N70 PolarHBondContact OE1-ND2 3.29Å; N70-L73 PolarHBondContact O-N 3.06Å; N70-D74 PolarHBondContact O-N 2.91Å; N70-D74 VanDerWaalsContact O-N 3.08Å
71A90.8Very high88.9Confident0 Ų052.5 Ų52.50%028%0.277CS..Hα-helixtrans-60.6-46.5171.400000111.8S59 I63 Q67 F68 R69 L73 D74 A75 A95S59-A71 WeakPolarHBondContact OG-CA 3.48Å; S59-A71 WeakPolarHBondContact OG-CB 3.02Å; S59-A71 PolarHBondContact OG-O 3.44Å; I63-A71 HydrophobicContact CD1-CB 4.4Å; I63-A71 HydrophobicContact CG1-CB 3.64Å; Q67-A71 PolarHBondContact O-N 3.24Å; F68-A71 WeakPolarHBondContact O-CB 3.42Å; F68-A71 PolarHBondContact O-N 2.98Å; R69-A71 VanDerWaalsContact C-N 3.29Å; A71-L73 PolarHBondContact O-N 3.46Å; A71-D74 PolarHBondContact O-N 3.3Å; A71-A75 WeakPolarHBondContact O-CB 2.92Å; A71-A75 PolarHBondContact O-N 3.11Å; A71-A95 HydrophobicContact CB-CB 4.05Å
72L90.2Very high88.5Confident26 Ų2655 Ų5514%0.13629%0.29CS..Hα-helixtrans-61.2-44.7178.2-178.160.1000112F68 R69 D74 A75 E76 K92 A95 L96 M99F68-L72 PolarHBondContact O-N 3.18Å; R69-L72 PolarHBondContact O-N 3.47Å; L72-D74 VanDerWaalsContact C-N 3.34Å; L72-D74 PolarHBondContact O-N 3.44Å; L72-A75 PolarHBondContact O-N 2.74Å; L72-E76 HydrophobicContact CD1-CG 4.36Å; L72-E76 WeakPolarHBondContact O-CG 3.46Å; L72-E76 PolarHBondContact O-N 3.07Å; L72-K92 HydrophobicContact CD1-CD 4.36Å; L72-K92 HydrophobicContact CD1-CG 3.86Å; L72-A95 HydrophobicContact CB-CB 4.02Å; L72-A95 HydrophobicContact CD1-CB 4.33Å; L72-L96 HydrophobicContact CD1-CD2 4.12Å; L72-L96 HydrophobicContact CD1-CG 4.02Å; L72-L96 HydrophobicContact CD2-CD2 4.04Å; L72-M99 HydrophobicContact CB-SD 4.11Å; L72-M99 HydrophobicContact CD2-CE 3.89Å; L72-M99 HydrophobicContact CD2-SD 3.71Å
73L93.3Very high87.9Confident104 Ų10457 Ų5755%0.54531%0.308SS..Hα-helixtrans-59.8-43.3177.2-71.3172.5000112.2R69 N70 A71 E76 A77R69-L73 WeakPolarHBondContact O-CG 3.37Å; R69-L73 PolarHBondContact O-N 3.32Å; N70-L73 PolarHBondContact O-N 3.06Å; A71-L73 PolarHBondContact O-N 3.46Å; L73-E76 PolarHBondContact O-N 3.02Å; L73-A77 WeakPolarHBondContact O-CB 3.33Å; L73-A77 PolarHBondContact O-N 3.25Å
74D92.3Very high87.5Confident11 Ų1161.2 Ų61.26%0.05933%0.33CS..Hα-helixtrans-67.8-39.1176.7-87.6-3.6000112.1F55 R58 Y62 N70 A71 L72 E76 A77 S78F55-D74 WeakPolarHBondContact CB-O 3.29Å; R58-D74 WeakPolarHBondContact CB-OD2 3.29Å; R58-D74 WeakPolarHBondContact CG-OD2 3.38Å; R58-D74 IonicContact CZ-OD1 2.66Å; R58-D74 IonicContact CZ-OD2 3.35Å; R58-D74 IonicContact NE-OD1 3.83Å; R58-D74 PolarHBondContact NE-OD1 2.9Å; R58-D74 IonicContact NE-OD2 3.82Å; R58-D74 PolarHBondContact NE-OD2 3.41Å; R58-D74 IonicContact NH2-OD1 2.68Å; R58-D74 PolarHBondContact NH2-OD1 3.2Å; R58-D74 IonicContact NH2-OD2 3.08Å; Y62-D74 VanDerWaalsContact CE2-OD2 3.26Å; Y62-D74 WeakPolarHBondContact CE2-OD2 3.22Å; N70-D74 PolarHBondContact O-N 2.91Å; N70-D74 VanDerWaalsContact O-N 3.08Å; A71-D74 PolarHBondContact O-N 3.3Å; L72-D74 VanDerWaalsContact C-N 3.34Å; L72-D74 PolarHBondContact O-N 3.44Å; D74-E76 VanDerWaalsContact C-N 3.33Å; D74-E76 PolarHBondContact O-N 3.09Å; D74-A77 PolarHBondContact O-N 3.35Å; D74-S78 PolarHBondContact O-N 3.01Å
75A90.6Very high87.4Confident0 Ų057.5 Ų57.50%031%0.312CS..Hα-helixtrans-63-40.6174.800000111.5A71 L72 S78 L79 Q91 K92A71-A75 WeakPolarHBondContact O-CB 2.92Å; A71-A75 PolarHBondContact O-N 3.11Å; L72-A75 PolarHBondContact O-N 2.74Å; A75-S78 PolarHBondContact O-N 3.39Å; A75-S78 PolarHBondContact O-OG 3.12Å; A75-L79 WeakPolarHBondContact O-CG 3.27Å; A75-L79 PolarHBondContact O-N 3.16Å; A75-Q91 HydrophobicContact CB-CB 4.2Å; A75-Q91 HydrophobicContact CB-CG 4.34Å; A75-K92 HydrophobicContact CB-CB 3.83Å
76E89.6Confident87.1Confident81 Ų8156.1 Ų56.138%0.37931%0.306SS..Hα-helixtrans-67-41.1174.4-71.4-174.2153.500112.8L72 L73 D74 S78 L79 A80 K92L72-E76 HydrophobicContact CD1-CG 4.36Å; L72-E76 WeakPolarHBondContact O-CG 3.46Å; L72-E76 PolarHBondContact O-N 3.07Å; L73-E76 PolarHBondContact O-N 3.02Å; D74-E76 VanDerWaalsContact C-N 3.33Å; D74-E76 PolarHBondContact O-N 3.09Å; E76-S78 PolarHBondContact O-N 3.47Å; E76-L79 CarbonylContact O-C 3.59Å; E76-L79 PolarHBondContact O-N 2.98Å; E76-A80 PolarHBondContact O-N 3.38Å; E76-A80 VanDerWaalsContact O-N 3.14Å; E76-K92 HydrophobicContact CG-CD 4.05Å; E76-K92 IonicContact OE1-NZ 3.61Å; E76-K92 PolarHBondContact OE1-NZ 3.3Å
77A90.7Very high87.3Confident40 Ų4056.9 Ų56.933%0.33130%0.299SS..Hα-helixtrans-59.8-37.3173.700000111.6F55 L73 D74 L79 A80F55-A77 HydrophobicContact CD1-CB 3.77Å; F55-A77 HydrophobicContact CE1-CB 3.9Å; F55-A77 HydrophobicContact CG-CB 4.21Å; F55-A77 HydrophobicContact CZ-CB 4.44Å; L73-A77 WeakPolarHBondContact O-CB 3.33Å; L73-A77 PolarHBondContact O-N 3.25Å; D74-A77 PolarHBondContact O-N 3.35Å; A77-L79 PolarHBondContact O-N 2.7Å; A77-A80 WeakPolarHBondContact O-CB 3.46Å; A77-A80 PolarHBondContact O-N 2.8Å
78S91.6Very high87.2Confident1 Ų152.9 Ų52.91%0.00728%0.28CS..Hα-helixtrans-65.5-23.1175.683.90000113.9D74 A75 E76 G88D74-S78 PolarHBondContact O-N 3.01Å; A75-S78 PolarHBondContact O-N 3.39Å; A75-S78 PolarHBondContact O-OG 3.12Å; E76-S78 PolarHBondContact O-N 3.47Å; S78-G88 VanDerWaalsContact OG-CA 3.28Å; S78-G88 WeakPolarHBondContact OG-CA 3.43Å
79L87.9Confident87.1Confident22 Ų2249.8 Ų49.812%0.11527%0.266CS..Hα-helixtrans-98.8-5-178.2-66.7172.3000113.6A75 E76 A77 E81 D82 F85 V89 K92A75-L79 WeakPolarHBondContact O-CG 3.27Å; A75-L79 PolarHBondContact O-N 3.16Å; E76-L79 CarbonylContact O-C 3.59Å; E76-L79 PolarHBondContact O-N 2.98Å; A77-L79 PolarHBondContact O-N 2.7Å; L79-E81 PolarHBondContact O-N 3.47Å; L79-D82 CarbonylContact O-C 3.19Å; L79-F85 HydrophobicContact CD2-CB 4.09Å; L79-V89 HydrophobicContact CD1-CG2 4.29Å; L79-V89 HydrophobicContact CD2-CG2 3.69Å; L79-K92 HydrophobicContact CD1-CB 4.22Å; L79-K92 HydrophobicContact CD1-CD 3.89Å
80A87.4Confident87.2Confident77 Ų7745.6 Ų45.664%0.63625%0.251SS*.SBendtrans-62.8-41.7-175.900000112.7E76 A77E76-A80 PolarHBondContact O-N 3.38Å; E76-A80 VanDerWaalsContact O-N 3.14Å; A77-A80 WeakPolarHBondContact O-CB 3.46Å; A77-A80 PolarHBondContact O-N 2.8Å
81E81.9Confident87.5Confident164 Ų16442.5 Ų42.577%0.76623%0.234SC*.SBendtrans-88.7-34.3179.4-64.3-67.2149.200112.5L79L79-E81 PolarHBondContact O-N 3.47Å
82D82.2Confident87.4Confident51 Ų5144 Ų4427%0.27324%0.241SC..  trans-131.193-179179.85.2000110.8K52 L79 L84 F85K52-D82 HydrophobicContact CD-CB 4.46Å; K52-D82 IonicContact NZ-OD2 3.58Å; K52-D82 PolarHBondContact NZ-OD2 3.28Å; L79-D82 CarbonylContact O-C 3.19Å; D82-L84 PolarHBondContact O-N 3.37Å; D82-L84 VanDerWaalsContact O-N 3.11Å; D82-L84 PolarHBondContact OD1-N 3.14Å; D82-F85 HydrophobicContact CB-CB 4.1Å; D82-F85 WeakPolarHBondContact O-CB 3.4Å; D82-F85 PolarHBondContact O-N 3.35Å; D82-F85 PolarHBondContact OD1-N 3.35Å
83P79.6Confident87.3Confident74 Ų7442.8 Ų42.848%0.48124%0.235SC..THydrogen-bonded Turntrans-66.6-8.4179.8-23.134.7000115R111P83-R111 PolarHBondContact O-NH2 3.03Å
84L80.4Confident87Confident100 Ų10039.7 Ų39.752%0.52422%0.217SC..THydrogen-bonded Turntrans-108.55.9-179.4-59.4174.9000112.2D82 P86 L115D82-L84 PolarHBondContact O-N 3.37Å; D82-L84 VanDerWaalsContact O-N 3.11Å; D82-L84 PolarHBondContact OD1-N 3.14Å; L84-P86 WeakPolarHBondContact O-CD 3.35Å; L84-P86 VanDerWaalsContact O-N 3.16Å; L84-L115 HydrophobicContact CB-CD1 4.47Å; L84-L115 HydrophobicContact CD2-CD1 4.05Å; L84-L115 HydrophobicContact CD2-CD2 3.63Å
85F86Confident86.8Confident9 Ų939.1 Ų39.14%0.03921%0.214CC..  trans-63.4110.3-180178.3-137.6000111.5K52 R53 V56 L79 D82 E87 G88 V89K52-F85 HydrophobicContact CB-CD1 4.26Å; K52-F85 HydrophobicContact CB-CE1 4.05Å; K52-F85 HydrophobicContact CD-CB 4.36Å; K52-F85 HydrophobicContact CD-CD1 3.71Å; K52-F85 HydrophobicContact CD-CD2 4Å; K52-F85 HydrophobicContact CD-CE1 3.91Å; K52-F85 HydrophobicContact CD-CE2 4.19Å; K52-F85 HydrophobicContact CD-CG 3.76Å; K52-F85 HydrophobicContact CD-CZ 4.15Å; K52-F85 VanDerWaalsContact CE-CD2 3.49Å; K52-F85 HydrophobicContact CG-CD1 4.03Å; K52-F85 HydrophobicContact CG-CE1 3.73Å; K52-F85 HydrophobicContact CG-CE2 4.43Å; K52-F85 HydrophobicContact CG-CZ 3.95Å; R53-F85 HydrophobicContact CG-CZ 4.16Å; V56-F85 HydrophobicContact CG2-CE1 3.69Å; V56-F85 HydrophobicContact CG2-CZ 4.4Å; L79-F85 HydrophobicContact CD2-CB 4.09Å; D82-F85 HydrophobicContact CB-CB 4.1Å; D82-F85 WeakPolarHBondContact O-CB 3.4Å; D82-F85 PolarHBondContact O-N 3.35Å; D82-F85 PolarHBondContact OD1-N 3.35Å; F85-E87 WeakPolarHBondContact CD2-OE2 3.39Å; F85-E87 HydrophobicContact CE1-CB 4.16Å; F85-E87 HydrophobicContact CE2-CB 3.99Å; F85-E87 HydrophobicContact CE2-CG 4.39Å; F85-E87 WeakPolarHBondContact CE2-OE2 3.35Å; F85-E87 HydrophobicContact CZ-CB 3.69Å; F85-E87 HydrophobicContact CZ-CG 4.42Å; F85-E87 PolarHBondContact O-N 3.32Å; F85-G88 PolarHBondContact O-N 2.95Å; F85-V89 WeakPolarHBondContact O-CG2 3.16Å; F85-V89 PolarHBondContact O-N 3.47Å
86P79.9Confident86.5Confident25 Ų2539.5 Ų39.516%0.16222%0.216CC..Hα-helixtrans-62-43.7-169.1-25.636000113.6L84 G88 V89 Y90 R116 M119 W122L84-P86 WeakPolarHBondContact O-CD 3.35Å; L84-P86 VanDerWaalsContact O-N 3.16Å; P86-G88 VanDerWaalsContact C-N 3.3Å; P86-G88 PolarHBondContact O-N 3.4Å; P86-V89 PolarHBondContact O-N 2.85Å; P86-Y90 WeakPolarHBondContact O-CB 3.39Å; P86-Y90 PolarHBondContact O-N 3.32Å; P86-R116 HydrophobicContact CB-CB 4.38Å; P86-R116 HydrophobicContact CG-CB 4.32Å; P86-M119 HydrophobicContact CB-CE 3.58Å; P86-M119 HydrophobicContact CB-SD 4.38Å; P86-W122 HydrophobicContact CB-CZ2 4.18Å; P86-W122 WeakPolarHBondContact O-CH2 3.49Å; P86-W122 WeakPolarHBondContact O-CZ2 3.43Å
87E86.4Confident86.4Confident60 Ų6038.2 Ų38.228%0.2821%0.208SC..Hα-helixtrans-67.5-31.6-179.2-63.386.3157.800112.1V56 F85 Q91 R116V56-E87 HydrophobicContact CG1-CB 4.49Å; F85-E87 WeakPolarHBondContact CD2-OE2 3.39Å; F85-E87 HydrophobicContact CE1-CB 4.16Å; F85-E87 HydrophobicContact CE2-CB 3.99Å; F85-E87 HydrophobicContact CE2-CG 4.39Å; F85-E87 WeakPolarHBondContact CE2-OE2 3.35Å; F85-E87 HydrophobicContact CZ-CB 3.69Å; F85-E87 HydrophobicContact CZ-CG 4.42Å; F85-E87 PolarHBondContact O-N 3.32Å; E87-Q91 WeakPolarHBondContact O-CB 3.37Å; E87-Q91 PolarHBondContact O-N 3.49Å; E87-R116 IonicContact OE1-NH1 3.53Å
88G87.3Confident86.1Confident0 Ų041.4 Ų41.40%021%0.212CC..Hα-helixtrans-71.3-42.7173.300000112.6S78 F85 P86 Y90 Q91 K92S78-G88 VanDerWaalsContact OG-CA 3.28Å; S78-G88 WeakPolarHBondContact OG-CA 3.43Å; F85-G88 PolarHBondContact O-N 2.95Å; P86-G88 VanDerWaalsContact C-N 3.3Å; P86-G88 PolarHBondContact O-N 3.4Å; G88-Y90 VanDerWaalsContact C-N 3.27Å; G88-Y90 PolarHBondContact O-N 2.73Å; G88-Q91 PolarHBondContact O-N 3.48Å; G88-K92 WeakPolarHBondContact O-CB 3.34Å; G88-K92 PolarHBondContact O-N 3.4Å
89V84.9Confident85.4Confident1 Ų144.2 Ų44.21%0.00623%0.226CC..Hα-helixtrans-62.7-39175.5173.70000110.2L79 F85 P86 K92 A93 F108 L115 W122L79-V89 HydrophobicContact CD1-CG2 4.29Å; L79-V89 HydrophobicContact CD2-CG2 3.69Å; F85-V89 WeakPolarHBondContact O-CG2 3.16Å; F85-V89 PolarHBondContact O-N 3.47Å; P86-V89 PolarHBondContact O-N 2.85Å; V89-K92 PolarHBondContact O-N 3.03Å; V89-A93 PolarHBondContact O-N 2.94Å; V89-F108 HydrophobicContact CG1-CD1 4.31Å; V89-L115 HydrophobicContact CG2-CD1 4.48Å; V89-W122 HydrophobicContact CB-CH2 3.88Å; V89-W122 HydrophobicContact CG1-CH2 3.75Å; V89-W122 HydrophobicContact CG1-CZ3 4.07Å
90Y90.3Very high84.8Confident47 Ų4744.9 Ų44.918%0.18424%0.239CC..Hα-helixtrans-65.3-47.4178.1-178.8-94.8000110.3P86 G88 K92 A93 E94 Y109 G121 W122P86-Y90 WeakPolarHBondContact O-CB 3.39Å; P86-Y90 PolarHBondContact O-N 3.32Å; G88-Y90 VanDerWaalsContact C-N 3.27Å; G88-Y90 PolarHBondContact O-N 2.73Å; Y90-K92 VanDerWaalsContact C-N 3.27Å; Y90-K92 PolarHBondContact O-N 3.21Å; Y90-A93 WeakPolarHBondContact O-CB 3.34Å; Y90-A93 PolarHBondContact O-N 3.45Å; Y90-A93 VanDerWaalsContact O-N 3.13Å; Y90-E94 HydrophobicContact CD1-CG 4.32Å; Y90-E94 HydrophobicContact CE1-CG 3.73Å; Y90-E94 WeakPolarHBondContact CE1-OE1 3.33Å; Y90-E94 PolarHBondContact O-N 3.41Å; Y90-E94 PolarHBondContact OH-OE1 3.28Å; Y90-Y109 HydrophobicContact CD2-CD1 4.33Å; Y90-Y109 HydrophobicContact CD2-CE1 4.09Å; Y90-Y109 HydrophobicContact CE2-CD1 4.35Å; Y90-Y109 AromaticContact CE2-CE1 3.84Å; Y90-Y109 HydrophobicContact CE2-CE1 3.84Å; Y90-G121 WeakPolarHBondContact CE2-O 3.38Å; Y90-W122 HydrophobicContact CD2-CD2 4.24Å; Y90-W122 AromaticContact CD2-CE3 3.78Å; Y90-W122 HydrophobicContact CD2-CE3 3.78Å; Y90-W122 HydrophobicContact CD2-CH2 4.22Å; Y90-W122 AromaticContact CD2-CZ3 3.76Å; Y90-W122 HydrophobicContact CD2-CZ3 3.76Å; Y90-W122 HydrophobicContact CG-CH2 4.32Å; Y90-W122 HydrophobicContact CG-CZ3 4.2Å
91Q93.8Very high84.3Confident0 Ų044.8 Ų44.80%023%0.225CC..Hα-helixtrans-65.5-33.4-179.4-159.560.258.900112.8V56 S59 A75 E87 G88 E94 A95V56-Q91 HydrophobicContact CG1-CB 4.18Å; V56-Q91 HydrophobicContact CG1-CG 4.25Å; S59-Q91 WeakPolarHBondContact OG-CG 3.15Å; A75-Q91 HydrophobicContact CB-CB 4.2Å; A75-Q91 HydrophobicContact CB-CG 4.34Å; E87-Q91 WeakPolarHBondContact O-CB 3.37Å; E87-Q91 PolarHBondContact O-N 3.49Å; G88-Q91 PolarHBondContact O-N 3.48Å; Q91-E94 PolarHBondContact NE2-OE2 3.42Å; Q91-E94 PolarHBondContact O-N 3.37Å; Q91-A95 WeakPolarHBondContact O-CB 3.39Å; Q91-A95 PolarHBondContact O-N 2.96Å
92K89.1Confident84Confident32 Ų3239 Ų3914%0.13920%0.197CC..Hα-helixtrans-65.4-43.1173178.3159.6178.6161.30111.4L72 A75 E76 L79 G88 V89 Y90 A95 L96 F108L72-K92 HydrophobicContact CD1-CD 4.36Å; L72-K92 HydrophobicContact CD1-CG 3.86Å; A75-K92 HydrophobicContact CB-CB 3.83Å; E76-K92 HydrophobicContact CG-CD 4.05Å; E76-K92 IonicContact OE1-NZ 3.61Å; E76-K92 PolarHBondContact OE1-NZ 3.3Å; L79-K92 HydrophobicContact CD1-CB 4.22Å; L79-K92 HydrophobicContact CD1-CD 3.89Å; G88-K92 WeakPolarHBondContact O-CB 3.34Å; G88-K92 PolarHBondContact O-N 3.4Å; V89-K92 PolarHBondContact O-N 3.03Å; Y90-K92 VanDerWaalsContact C-N 3.27Å; Y90-K92 PolarHBondContact O-N 3.21Å; K92-A95 PolarHBondContact O-N 3.11Å; K92-L96 HydrophobicContact CG-CD1 4.04Å; K92-L96 VanDerWaalsContact O-CG 3.31Å; K92-L96 WeakPolarHBondContact O-CG 3.28Å; K92-L96 PolarHBondContact O-N 3.4Å; K92-F108 HydrophobicContact CD-CD1 4.41Å; K92-F108 HydrophobicContact CD-CE1 4.04Å; K92-F108 HydrophobicContact CD-CE2 4.46Å; K92-F108 HydrophobicContact CD-CZ 4.1Å; K92-F108 VanDerWaalsContact CE-CZ 3.42Å
93A87.6Confident83.2Confident0 Ų041.3 Ų41.30%021%0.207CC..Hα-helixtrans-62.1-43.6175.600000111.9V89 Y90 L96 Y97 A105 F108 Y109V89-A93 PolarHBondContact O-N 2.94Å; Y90-A93 WeakPolarHBondContact O-CB 3.34Å; Y90-A93 PolarHBondContact O-N 3.45Å; Y90-A93 VanDerWaalsContact O-N 3.13Å; A93-L96 PolarHBondContact O-N 3.33Å; A93-Y97 WeakPolarHBondContact O-CB 3.43Å; A93-Y97 PolarHBondContact O-N 3.2Å; A93-A105 WeakPolarHBondContact O-CB 3.46Å; A93-F108 HydrophobicContact CB-CB 3.7Å; A93-Y109 HydrophobicContact CB-CD1 3.44Å; A93-Y109 VanDerWaalsContact CB-CD1 3.44Å; A93-Y109 HydrophobicContact CB-CD2 3.95Å; A93-Y109 HydrophobicContact CB-CE1 3.39Å; A93-Y109 HydrophobicContact CB-CE2 3.92Å; A93-Y109 HydrophobicContact CB-CG 3.72Å
94E87.9Confident82.6Confident38 Ų3843.4 Ų43.418%0.17821%0.208CC..Hα-helixtrans-62.6-44.5174.8-78.9-167.1152.700112.4I63 Y90 Q91 L96 Y97 Y98 Y109I63-E94 HydrophobicContact CD1-CB 3.87Å; Y90-E94 HydrophobicContact CD1-CG 4.32Å; Y90-E94 HydrophobicContact CE1-CG 3.73Å; Y90-E94 WeakPolarHBondContact CE1-OE1 3.33Å; Y90-E94 PolarHBondContact O-N 3.41Å; Y90-E94 PolarHBondContact OH-OE1 3.28Å; Q91-E94 PolarHBondContact NE2-OE2 3.42Å; Q91-E94 PolarHBondContact O-N 3.37Å; E94-L96 VanDerWaalsContact C-N 3.32Å; E94-L96 PolarHBondContact O-N 3.5Å; E94-Y97 WeakPolarHBondContact O-CB 3.15Å; E94-Y97 PolarHBondContact O-N 2.66Å; E94-Y98 VanDerWaalsContact O-CD2 3.24Å; E94-Y98 WeakPolarHBondContact O-CD2 3.43Å; E94-Y98 PolarHBondContact O-N 3.01Å; E94-Y109 WeakPolarHBondContact CA-OH 3.4Å; E94-Y109 HydrophobicContact CG-CE1 4.5Å; E94-Y109 WeakPolarHBondContact CG-OH 3.37Å
95A88.8Confident82.2Confident0 Ų038.7 Ų38.70%018%0.184CC..Hα-helixtrans-60.8-42.4178.600000111.7A71 L72 Q91 K92 M99A71-A95 HydrophobicContact CB-CB 4.05Å; L72-A95 HydrophobicContact CB-CB 4.02Å; L72-A95 HydrophobicContact CD1-CB 4.33Å; Q91-A95 WeakPolarHBondContact O-CB 3.39Å; Q91-A95 PolarHBondContact O-N 2.96Å; K92-A95 PolarHBondContact O-N 3.11Å; A95-M99 WeakPolarHBondContact O-CB 3.41Å; A95-M99 VanDerWaalsContact O-CG 3.26Å; A95-M99 WeakPolarHBondContact O-CG 3.35Å; A95-M99 PolarHBondContact O-N 3.17Å
96L82.5Confident81.5Confident7 Ų739.3 Ų39.34%0.03719%0.187CC..Hα-helixtrans-65.7-39.4175.5-70.9165.5000112.2L72 K92 A93 E94 M99 G100 E101 F104 A105 F108L72-L96 HydrophobicContact CD1-CD2 4.12Å; L72-L96 HydrophobicContact CD1-CG 4.02Å; L72-L96 HydrophobicContact CD2-CD2 4.04Å; K92-L96 HydrophobicContact CG-CD1 4.04Å; K92-L96 VanDerWaalsContact O-CG 3.31Å; K92-L96 WeakPolarHBondContact O-CG 3.28Å; K92-L96 PolarHBondContact O-N 3.4Å; A93-L96 PolarHBondContact O-N 3.33Å; E94-L96 VanDerWaalsContact C-N 3.32Å; E94-L96 PolarHBondContact O-N 3.5Å; L96-M99 HydrophobicContact CD2-CE 4.31Å; L96-M99 WeakPolarHBondContact O-CB 3.37Å; L96-M99 PolarHBondContact O-N 3.45Å; L96-G100 PolarHBondContact O-N 3.27Å; L96-E101 HydrophobicContact CB-CB 4.42Å; L96-E101 HydrophobicContact CD2-CB 4.23Å; L96-E101 PolarHBondContact O-N 3.11Å; L96-F104 HydrophobicContact CD1-CB 4.07Å; L96-F104 HydrophobicContact CD2-CB 4.41Å; L96-A105 HydrophobicContact CB-CB 4.04Å; L96-F108 HydrophobicContact CD1-CD2 3.42Å; L96-F108 VanDerWaalsContact CD1-CD2 3.42Å; L96-F108 HydrophobicContact CD1-CE2 3.7Å; L96-F108 HydrophobicContact CD1-CG 4.42Å
97Y87.8Confident80.9Confident55 Ų5542.2 Ų42.222%0.21620%0.204CC..Hα-helixtrans-60-50.9176.4177.3-95000111.3A93 E94 M99 G100 F102 K128 A129 A132A93-Y97 WeakPolarHBondContact O-CB 3.43Å; A93-Y97 PolarHBondContact O-N 3.2Å; E94-Y97 WeakPolarHBondContact O-CB 3.15Å; E94-Y97 PolarHBondContact O-N 2.66Å; Y97-M99 PolarHBondContact O-N 3.23Å; Y97-G100 PolarHBondContact O-N 3.06Å; Y97-F102 AromaticContact CD2-CD1 3.75Å; Y97-F102 HydrophobicContact CD2-CD1 3.75Å; Y97-F102 HydrophobicContact CD2-CE1 4.14Å; Y97-F102 AromaticContact CE2-CD1 3.88Å; Y97-F102 HydrophobicContact CE2-CD1 3.88Å; Y97-F102 HydrophobicContact CE2-CE1 4.02Å; Y97-F102 WeakPolarHBondContact O-CE1 3.19Å; Y97-K128 HydrophobicContact CE2-CB 3.84Å; Y97-K128 WeakPolarHBondContact CE2-O 3.38Å; Y97-A129 HydrophobicContact CD2-CB 4.32Å; Y97-A132 HydrophobicContact CE2-CB 4.01Å
98Y84.3Confident80.3Confident106 Ų10641 Ų4142%0.41620%0.198SC..Hα-helixtrans-70.1-17.8178-75.1-72.3000113.7I63 F68 E94 G100I63-Y98 HydrophobicContact CD1-CD2 4.14Å; I63-Y98 HydrophobicContact CG2-CD2 3.48Å; I63-Y98 VanDerWaalsContact CG2-CD2 3.48Å; I63-Y98 HydrophobicContact CG2-CE2 3.51Å; I63-Y98 HydrophobicContact CG2-CG 4.09Å; F68-Y98 VanDerWaalsContact CD1-CB 3.49Å; F68-Y98 HydrophobicContact CD1-CG 4.29Å; F68-Y98 WeakPolarHBondContact CD2-O 3.49Å; F68-Y98 HydrophobicContact CE1-CD1 4.24Å; F68-Y98 HydrophobicContact CE1-CG 4.06Å; E94-Y98 VanDerWaalsContact O-CD2 3.24Å; E94-Y98 WeakPolarHBondContact O-CD2 3.43Å; E94-Y98 PolarHBondContact O-N 3.01Å; Y98-G100 VanDerWaalsContact C-N 3.25Å
99M78.4Confident79.7Confident60 Ų6041.2 Ų41.230%0.29620%0.199SC..THydrogen-bonded Turntrans-75.8-12.1168.3-78176.533.400113.5F68 L72 A95 L96 Y97 E101F68-M99 HydrophobicContact CB-CG 3.58Å; L72-M99 HydrophobicContact CB-SD 4.11Å; L72-M99 HydrophobicContact CD2-CE 3.89Å; L72-M99 HydrophobicContact CD2-SD 3.71Å; A95-M99 WeakPolarHBondContact O-CB 3.41Å; A95-M99 VanDerWaalsContact O-CG 3.26Å; A95-M99 WeakPolarHBondContact O-CG 3.35Å; A95-M99 PolarHBondContact O-N 3.17Å; L96-M99 HydrophobicContact CD2-CE 4.31Å; L96-M99 WeakPolarHBondContact O-CB 3.37Å; L96-M99 PolarHBondContact O-N 3.45Å; Y97-M99 PolarHBondContact O-N 3.23Å; M99-E101 HydrophobicContact CE-CG 4.4Å; M99-E101 VanDerWaalsContact CE-OE1 3.23Å; M99-E101 WeakPolarHBondContact CE-OE1 3.45Å
100G75.1Confident78.8Confident37 Ų3747.3 Ų47.338%0.38122%0.222SC..THydrogen-bonded Turntrans84.39.4-174.300000114L96 Y97 Y98 F102L96-G100 PolarHBondContact O-N 3.27Å; Y97-G100 PolarHBondContact O-N 3.06Å; Y98-G100 VanDerWaalsContact C-N 3.25Å; G100-F102 VanDerWaalsContact C-N 3.27Å; G100-F102 PolarHBondContact O-N 3.19Å
101E76.3Confident78Confident74 Ų7450.3 Ų50.335%0.34623%0.233SC..  trans-89.363.9176.3-73.1-169.6-15000110L96 M99 E103 F104 A105L96-E101 HydrophobicContact CB-CB 4.42Å; L96-E101 HydrophobicContact CD2-CB 4.23Å; L96-E101 PolarHBondContact O-N 3.11Å; M99-E101 HydrophobicContact CE-CG 4.4Å; M99-E101 VanDerWaalsContact CE-OE1 3.23Å; M99-E101 WeakPolarHBondContact CE-OE1 3.45Å; E101-E103 PolarHBondContact O-N 3Å; E101-F104 HydrophobicContact CB-CB 4.31Å; E101-F104 HydrophobicContact CB-CD2 4.03Å; E101-F104 HydrophobicContact CG-CD2 4.39Å; E101-F104 PolarHBondContact O-N 2.91Å; E101-F104 WeakPolarHBondContact OE2-CD2 3.32Å; E101-A105 PolarHBondContact O-N 3.27Å
102F75.8Confident76.9Confident42 Ų4250.3 Ų50.318%0.18423%0.233CC..Hα-helixtrans-65.1-36.5-167.9-52.1-56.6000113.3Y97 G100 F104 A105 L106 A132 I133Y97-F102 AromaticContact CD2-CD1 3.75Å; Y97-F102 HydrophobicContact CD2-CD1 3.75Å; Y97-F102 HydrophobicContact CD2-CE1 4.14Å; Y97-F102 AromaticContact CE2-CD1 3.88Å; Y97-F102 HydrophobicContact CE2-CD1 3.88Å; Y97-F102 HydrophobicContact CE2-CE1 4.02Å; Y97-F102 WeakPolarHBondContact O-CE1 3.19Å; G100-F102 VanDerWaalsContact C-N 3.27Å; G100-F102 PolarHBondContact O-N 3.19Å; F102-F104 VanDerWaalsContact C-N 3.35Å; F102-F104 PolarHBondContact O-N 3.32Å; F102-A105 PolarHBondContact O-N 2.91Å; F102-L106 WeakPolarHBondContact O-CB 3.5Å; F102-L106 PolarHBondContact O-N 3.37Å; F102-A132 HydrophobicContact CB-CB 4.3Å; F102-A132 HydrophobicContact CD1-CB 3.46Å; F102-A132 VanDerWaalsContact CD1-CB 3.46Å; F102-A132 HydrophobicContact CD2-CB 3.77Å; F102-A132 HydrophobicContact CE1-CB 3.55Å; F102-A132 HydrophobicContact CE2-CB 3.85Å; F102-A132 HydrophobicContact CG-CB 3.58Å; F102-A132 HydrophobicContact CZ-CB 3.75Å; F102-I133 HydrophobicContact CB-CD1 4.17Å; F102-I133 HydrophobicContact CB-CG1 3.45Å; F102-I133 VanDerWaalsContact CB-CG1 3.45Å
103E64.9Low76.2Confident101 Ų10151 Ų5147%0.47224%0.238SC..Hα-helixtrans-64.6-41.3177-57.388161.500111.3E101 L106 V107 I133E101-E103 PolarHBondContact O-N 3Å; E103-L106 PolarHBondContact O-N 3.41Å; E103-V107 WeakPolarHBondContact O-CG2 3.43Å; E103-V107 PolarHBondContact O-N 3.01Å; E103-V107 VanDerWaalsContact O-N 3.13Å; E103-I133 HydrophobicContact CG-CD1 4.08Å; E103-I133 HydrophobicContact CG-CG1 4.19Å
104F68.1Low75.3Confident118 Ų11859.7 Ų59.752%0.51828%0.276SS..Hα-helixtrans-69.3-42.5176.3-67-75.2000110.9L96 E101 F102 L106 V107 F108L96-F104 HydrophobicContact CD1-CB 4.07Å; L96-F104 HydrophobicContact CD2-CB 4.41Å; E101-F104 HydrophobicContact CB-CB 4.31Å; E101-F104 HydrophobicContact CB-CD2 4.03Å; E101-F104 HydrophobicContact CG-CD2 4.39Å; E101-F104 PolarHBondContact O-N 2.91Å; E101-F104 WeakPolarHBondContact OE2-CD2 3.32Å; F102-F104 VanDerWaalsContact C-N 3.35Å; F102-F104 PolarHBondContact O-N 3.32Å; F104-L106 VanDerWaalsContact C-N 3.32Å; F104-L106 PolarHBondContact O-N 3.38Å; F104-V107 PolarHBondContact O-N 2.95Å; F104-F108 WeakPolarHBondContact O-CD2 3.39Å; F104-F108 PolarHBondContact O-N 3.38Å; F104-F108 VanDerWaalsContact O-N 3.12Å
105A72Confident74.5Confident0 Ų061.2 Ų61.20%029%0.285CS..Hα-helixtrans-55.7-47.4173.600000111.5A93 L96 E101 F102 V107 F108 Y109 A129A93-A105 WeakPolarHBondContact O-CB 3.46Å; L96-A105 HydrophobicContact CB-CB 4.04Å; E101-A105 PolarHBondContact O-N 3.27Å; F102-A105 PolarHBondContact O-N 2.91Å; A105-V107 VanDerWaalsContact C-N 3.35Å; A105-V107 PolarHBondContact O-N 3.09Å; A105-F108 PolarHBondContact O-N 3.02Å; A105-F108 VanDerWaalsContact O-N 3.15Å; A105-Y109 HydrophobicContact CB-CD2 4.37Å; A105-Y109 HydrophobicContact CB-CE2 4.06Å; A105-Y109 WeakPolarHBondContact O-CD2 3.38Å; A105-Y109 PolarHBondContact O-N 3.31Å; A105-A129 HydrophobicContact CB-CB 4.46Å
106L70.4Confident73.7Confident22 Ų2266.5 Ų66.512%0.11531%0.305CS..Hα-helixtrans-57.6-44.2177.9-179.458.1000112.3F102 E103 F104 F108 Y109 R110 I126 A129 E130 I133F102-L106 WeakPolarHBondContact O-CB 3.5Å; F102-L106 PolarHBondContact O-N 3.37Å; E103-L106 PolarHBondContact O-N 3.41Å; F104-L106 VanDerWaalsContact C-N 3.32Å; F104-L106 PolarHBondContact O-N 3.38Å; L106-F108 VanDerWaalsContact C-N 3.35Å; L106-F108 PolarHBondContact O-N 3.33Å; L106-Y109 PolarHBondContact O-N 3.38Å; L106-R110 HydrophobicContact CD1-CG 4.25Å; L106-R110 WeakPolarHBondContact O-CB 3.38Å; L106-R110 WeakPolarHBondContact O-CG 3.31Å; L106-R110 PolarHBondContact O-N 2.77Å; L106-I126 HydrophobicContact CD1-CB 4.1Å; L106-I126 HydrophobicContact CD1-CG1 4.11Å; L106-I126 HydrophobicContact CD1-CG2 3.75Å; L106-A129 HydrophobicContact CB-CB 3.93Å; L106-A129 HydrophobicContact CD1-CB 4.4Å; L106-E130 HydrophobicContact CD1-CG 3.8Å; L106-E130 HydrophobicContact CD2-CG 3.85Å; L106-E130 HydrophobicContact CG-CG 4.5Å; L106-I133 HydrophobicContact CB-CD1 4.31Å; L106-I133 HydrophobicContact CD2-CD1 3.77Å
107V67.4Low72.9Confident87 Ų8769.9 Ų69.953%0.52733%0.327SS..Hα-helixtrans-60.1-44.9176.6170.10000111.2E103 F104 A105 R111E103-V107 WeakPolarHBondContact O-CG2 3.43Å; E103-V107 PolarHBondContact O-N 3.01Å; E103-V107 VanDerWaalsContact O-N 3.13Å; F104-V107 PolarHBondContact O-N 2.95Å; A105-V107 VanDerWaalsContact C-N 3.35Å; A105-V107 PolarHBondContact O-N 3.09Å; V107-R111 VanDerWaalsContact O-CB 3.3Å; V107-R111 WeakPolarHBondContact O-CB 3.48Å; V107-R111 PolarHBondContact O-N 3.3Å
108F72.9Confident72Confident34 Ų3475.6 Ų75.615%0.14936%0.356CS..Hα-helixtrans-70.8-35.9179.5-77.5-75.7000112.5V89 K92 A93 L96 F104 A105 L106 R111 G112V89-F108 HydrophobicContact CG1-CD1 4.31Å; K92-F108 HydrophobicContact CD-CD1 4.41Å; K92-F108 HydrophobicContact CD-CE1 4.04Å; K92-F108 HydrophobicContact CD-CE2 4.46Å; K92-F108 HydrophobicContact CD-CZ 4.1Å; K92-F108 VanDerWaalsContact CE-CZ 3.42Å; A93-F108 HydrophobicContact CB-CB 3.7Å; L96-F108 HydrophobicContact CD1-CD2 3.42Å; L96-F108 VanDerWaalsContact CD1-CD2 3.42Å; L96-F108 HydrophobicContact CD1-CE2 3.7Å; L96-F108 HydrophobicContact CD1-CG 4.42Å; F104-F108 WeakPolarHBondContact O-CD2 3.39Å; F104-F108 PolarHBondContact O-N 3.38Å; F104-F108 VanDerWaalsContact O-N 3.12Å; A105-F108 PolarHBondContact O-N 3.02Å; A105-F108 VanDerWaalsContact O-N 3.15Å; L106-F108 VanDerWaalsContact C-N 3.35Å; L106-F108 PolarHBondContact O-N 3.33Å; F108-R111 PolarHBondContact O-N 2.81Å; F108-G112 PolarHBondContact O-N 3.15Å
109Y74.3Confident71.1Confident5 Ų572.5 Ų72.52%0.0235%0.346CS..Hα-helixtrans-64.9-44.3173.4-67.6-60.8000112.2Y90 A93 E94 A105 L106 R111 G112 L113 W122 G125 A129Y90-Y109 HydrophobicContact CD2-CD1 4.33Å; Y90-Y109 HydrophobicContact CD2-CE1 4.09Å; Y90-Y109 HydrophobicContact CE2-CD1 4.35Å; Y90-Y109 AromaticContact CE2-CE1 3.84Å; Y90-Y109 HydrophobicContact CE2-CE1 3.84Å; A93-Y109 HydrophobicContact CB-CD1 3.44Å; A93-Y109 VanDerWaalsContact CB-CD1 3.44Å; A93-Y109 HydrophobicContact CB-CD2 3.95Å; A93-Y109 HydrophobicContact CB-CE1 3.39Å; A93-Y109 HydrophobicContact CB-CE2 3.92Å; A93-Y109 HydrophobicContact CB-CG 3.72Å; E94-Y109 WeakPolarHBondContact CA-OH 3.4Å; E94-Y109 HydrophobicContact CG-CE1 4.5Å; E94-Y109 WeakPolarHBondContact CG-OH 3.37Å; A105-Y109 HydrophobicContact CB-CD2 4.37Å; A105-Y109 HydrophobicContact CB-CE2 4.06Å; A105-Y109 WeakPolarHBondContact O-CD2 3.38Å; A105-Y109 PolarHBondContact O-N 3.31Å; L106-Y109 PolarHBondContact O-N 3.38Å; Y109-R111 PolarHBondContact O-N 3Å; Y109-G112 PolarHBondContact O-N 3.15Å; Y109-L113 WeakPolarHBondContact O-CB 3.39Å; Y109-L113 PolarHBondContact O-N 3.27Å; Y109-W122 AromaticContact CD1-CE3 3.87Å; Y109-W122 HydrophobicContact CD1-CE3 3.87Å; Y109-W122 HydrophobicContact CD1-CZ3 4.21Å; Y109-G125 WeakPolarHBondContact CD2-O 3.46Å; Y109-G125 VanDerWaalsContact CE2-C 3.45Å; Y109-G125 VanDerWaalsContact CE2-CA 3.48Å; Y109-G125 WeakPolarHBondContact CE2-O 3.19Å; Y109-G125 VanDerWaalsContact CZ-CA 3.48Å; Y109-A129 HydrophobicContact CD2-CB 4.38Å; Y109-A129 HydrophobicContact CE2-CB 4.45Å
110R67.9Low70.4Confident128 Ų12871.7 Ų71.748%0.48334%0.344SS..Hα-helixtrans-64.5-37.7175.2-71.6-178.1176.4-167.3-0.6112.4L106 L113 K114 I126 E130L106-R110 HydrophobicContact CD1-CG 4.25Å; L106-R110 WeakPolarHBondContact O-CB 3.38Å; L106-R110 WeakPolarHBondContact O-CG 3.31Å; L106-R110 PolarHBondContact O-N 2.77Å; R110-L113 PolarHBondContact O-N 3.36Å; R110-K114 PolarHBondContact O-N 3Å; R110-I126 HydrophobicContact CG-CD1 3.8Å; R110-I126 HydrophobicContact CG-CG1 3.94Å; R110-E130 IonicContact CZ-OE1 2.66Å; R110-E130 IonicContact NE-OE1 3.76Å; R110-E130 IonicContact NH2-OE1 3.43Å; R110-E130 PolarHBondContact NH2-OE1 3.41Å
111R71.9Confident70Confident110 Ų11070.9 Ų70.942%0.41534%0.335SS..Hα-helixtrans-63.3-46173.4179.9176.9172.6175.5-4.8110.9P83 V107 F108 Y109 L113 K114 L115P83-R111 PolarHBondContact O-NH2 3.03Å; V107-R111 VanDerWaalsContact O-CB 3.3Å; V107-R111 WeakPolarHBondContact O-CB 3.48Å; V107-R111 PolarHBondContact O-N 3.3Å; F108-R111 PolarHBondContact O-N 2.81Å; Y109-R111 PolarHBondContact O-N 3Å; R111-L113 VanDerWaalsContact C-N 3.33Å; R111-L113 PolarHBondContact O-N 3.25Å; R111-K114 PolarHBondContact O-N 3.38Å; R111-L115 HydrophobicContact CG-CD1 4.49Å; R111-L115 WeakPolarHBondContact O-CG 3.42Å; R111-L115 PolarHBondContact O-N 2.88Å
112G70.4Confident69.9Low0 Ų067.3 Ų67.30%032%0.319CS..Hα-helixtrans-60.7-40.7176.300000113.3F108 Y109 K114 L115 R116 W122F108-G112 PolarHBondContact O-N 3.15Å; Y109-G112 PolarHBondContact O-N 3.15Å; G112-K114 VanDerWaalsContact C-N 3.33Å; G112-K114 PolarHBondContact O-N 3.4Å; G112-L115 PolarHBondContact O-N 2.86Å; G112-L115 VanDerWaalsContact O-N 3.08Å; G112-R116 PolarHBondContact O-N 3.27Å; G112-W122 VanDerWaalsContact C-CE2 3.41Å; G112-W122 VanDerWaalsContact CA-CH2 3.46Å; G112-W122 VanDerWaalsContact CA-CZ2 3.47Å; G112-W122 PolarHBondContact O-NE1 3.09Å
113L74.6Confident69.7Low48 Ų4871 Ų7125%0.25133%0.331SS..Hα-helixtrans-59-42.1175.4-172.167.4000112Y109 R110 R111 L115 R116 P117 W122 R123 I126Y109-L113 WeakPolarHBondContact O-CB 3.39Å; Y109-L113 PolarHBondContact O-N 3.27Å; R110-L113 PolarHBondContact O-N 3.36Å; R111-L113 VanDerWaalsContact C-N 3.33Å; R111-L113 PolarHBondContact O-N 3.25Å; L113-L115 VanDerWaalsContact C-N 3.31Å; L113-L115 PolarHBondContact O-N 3.49Å; L113-R116 CarbonylContact O-C 3.59Å; L113-P117 WeakPolarHBondContact O-CA 3.42Å; L113-P117 WeakPolarHBondContact O-CD 3.19Å; L113-P117 WeakPolarHBondContact O-CG 3.47Å; L113-P117 VanDerWaalsContact O-N 3.17Å; L113-W122 HydrophobicContact CB-CB 3.99Å; L113-W122 HydrophobicContact CB-CG 4.29Å; L113-W122 HydrophobicContact CD1-CB 3.83Å; L113-W122 HydrophobicContact CD1-CG 4.42Å; L113-W122 HydrophobicContact CG-CB 4.5Å; L113-R123 HydrophobicContact CD1-CG 4.15Å; L113-I126 HydrophobicContact CB-CD1 4.45Å; L113-I126 HydrophobicContact CD2-CD1 3.83Å
114K70.1Confident70.2Confident182 Ų18268.7 Ų68.779%0.79132%0.322SS*.Hα-helixtrans-65.8-31.5175.3-70.2178.7-177.6-178.60113.1R110 R111 G112R110-K114 PolarHBondContact O-N 3Å; R111-K114 PolarHBondContact O-N 3.38Å; G112-K114 VanDerWaalsContact C-N 3.33Å; G112-K114 PolarHBondContact O-N 3.4Å
115L70.9Confident70.1Confident69 Ų6963.1 Ų63.136%0.36130%0.298SS..Hα-helixtrans-78.5-41.8179.7-65.9176.5000112.4L84 V89 R111 G112 L113L84-L115 HydrophobicContact CB-CD1 4.47Å; L84-L115 HydrophobicContact CD2-CD1 4.05Å; L84-L115 HydrophobicContact CD2-CD2 3.63Å; V89-L115 HydrophobicContact CG2-CD1 4.48Å; R111-L115 HydrophobicContact CG-CD1 4.49Å; R111-L115 WeakPolarHBondContact O-CG 3.42Å; R111-L115 PolarHBondContact O-N 2.88Å; G112-L115 PolarHBondContact O-N 2.86Å; G112-L115 VanDerWaalsContact O-N 3.08Å; L113-L115 VanDerWaalsContact C-N 3.31Å; L113-L115 PolarHBondContact O-N 3.49Å
116R72.2Confident70.2Confident112 Ų11264.1 Ų64.142%0.42330%0.303SS..  trans-143.987.6179.8-166.4172.7-179.5-171.92.5110.7P86 E87 G112 L113 Q118 M119 W122P86-R116 HydrophobicContact CB-CB 4.38Å; P86-R116 HydrophobicContact CG-CB 4.32Å; E87-R116 IonicContact OE1-NH1 3.53Å; G112-R116 PolarHBondContact O-N 3.27Å; L113-R116 CarbonylContact O-C 3.59Å; R116-Q118 PolarHBondContact O-N 3.4Å; R116-Q118 VanDerWaalsContact O-N 3.09Å; R116-M119 HydrophobicContact CG-CG 4.05Å; R116-M119 PolarHBondContact O-N 2.91Å; R116-W122 VanDerWaalsContact O-CD1 3.26Å; R116-W122 PolarHBondContact O-NE1 2.89Å
117P65.9Low70.3Confident78 Ų7867.8 Ų67.851%0.50632%0.319SS..THydrogen-bonded Turntrans-61.6-20.1-177.9-24.333.2000114.5L113L113-P117 WeakPolarHBondContact O-CA 3.42Å; L113-P117 WeakPolarHBondContact O-CD 3.19Å; L113-P117 WeakPolarHBondContact O-CG 3.47Å; L113-P117 VanDerWaalsContact O-N 3.17Å
118Q67.1Low70.8Confident175 Ų17567.6 Ų67.682%0.81831%0.312SS*.THydrogen-bonded Turntrans-80.9-9.5-176.9-63.4-154.17.400115R116R116-Q118 PolarHBondContact O-N 3.4Å; R116-Q118 VanDerWaalsContact O-N 3.09Å
119M66.3Low70.7Confident41 Ų4166 Ų6620%0.20231%0.305CS..  trans-86116.5174-60.2-157.8-50.600110.3P86 R116 G121 W122P86-M119 HydrophobicContact CB-CE 3.58Å; P86-M119 HydrophobicContact CB-SD 4.38Å; R116-M119 HydrophobicContact CG-CG 4.05Å; R116-M119 PolarHBondContact O-N 2.91Å; M119-G121 VanDerWaalsContact C-N 3.29Å; M119-G121 PolarHBondContact O-N 3.26Å; M119-W122 VanDerWaalsContact CE-CE2 3.41Å; M119-W122 HydrophobicContact CE-CH2 4.34Å; M119-W122 HydrophobicContact CE-CZ2 3.27Å; M119-W122 PolarHBondContact O-N 3.49Å
120V63.4Low70.5Confident42 Ų4268.7 Ų68.726%0.25532%0.317SS..THydrogen-bonded Turntrans-63.1-34.1-175.6-176.60000112.6W122 R123 E423 F425V120-W122 PolarHBondContact O-N 3.44Å; V120-R123 PolarHBondContact O-N 2.99Å; V120-E423 WeakPolarHBondContact CG1-O 3.25Å; V120-F425 HydrophobicContact CB-CE2 4.02Å; V120-F425 HydrophobicContact CG1-CD2 3.82Å; V120-F425 HydrophobicContact CG1-CE2 3.76Å
121G67.4Low70.6Confident20 Ų2067.8 Ų67.821%0.20632%0.319CS..Hα-helixtrans-54.9-25.8-177.600000114.4Y90 M119 G125Y90-G121 WeakPolarHBondContact CE2-O 3.38Å; M119-G121 VanDerWaalsContact C-N 3.29Å; M119-G121 PolarHBondContact O-N 3.26Å; G121-G125 PolarHBondContact O-N 2.98Å
122W73Confident70.4Confident0 Ų063.5 Ų63.50%031%0.307CS..Hα-helixtrans-62-46.4176.2-59.9129.3000113.1P86 V89 Y90 Y109 G112 L113 R116 M119 V120 G125 I126P86-W122 HydrophobicContact CB-CZ2 4.18Å; P86-W122 WeakPolarHBondContact O-CH2 3.49Å; P86-W122 WeakPolarHBondContact O-CZ2 3.43Å; V89-W122 HydrophobicContact CB-CH2 3.88Å; V89-W122 HydrophobicContact CG1-CH2 3.75Å; V89-W122 HydrophobicContact CG1-CZ3 4.07Å; Y90-W122 HydrophobicContact CD2-CD2 4.24Å; Y90-W122 AromaticContact CD2-CE3 3.78Å; Y90-W122 HydrophobicContact CD2-CE3 3.78Å; Y90-W122 HydrophobicContact CD2-CH2 4.22Å; Y90-W122 AromaticContact CD2-CZ3 3.76Å; Y90-W122 HydrophobicContact CD2-CZ3 3.76Å; Y90-W122 HydrophobicContact CG-CH2 4.32Å; Y90-W122 HydrophobicContact CG-CZ3 4.2Å; Y109-W122 AromaticContact CD1-CE3 3.87Å; Y109-W122 HydrophobicContact CD1-CE3 3.87Å; Y109-W122 HydrophobicContact CD1-CZ3 4.21Å; G112-W122 VanDerWaalsContact C-CE2 3.41Å; G112-W122 VanDerWaalsContact CA-CH2 3.46Å; G112-W122 VanDerWaalsContact CA-CZ2 3.47Å; G112-W122 PolarHBondContact O-NE1 3.09Å; L113-W122 HydrophobicContact CB-CB 3.99Å; L113-W122 HydrophobicContact CB-CG 4.29Å; L113-W122 HydrophobicContact CD1-CB 3.83Å; L113-W122 HydrophobicContact CD1-CG 4.42Å; L113-W122 HydrophobicContact CG-CB 4.5Å; R116-W122 VanDerWaalsContact O-CD1 3.26Å; R116-W122 PolarHBondContact O-NE1 2.89Å; M119-W122 VanDerWaalsContact CE-CE2 3.41Å; M119-W122 HydrophobicContact CE-CH2 4.34Å; M119-W122 HydrophobicContact CE-CZ2 3.27Å; M119-W122 PolarHBondContact O-N 3.49Å; V120-W122 PolarHBondContact O-N 3.44Å; W122-G125 PolarHBondContact O-N 3.16Å; W122-I126 WeakPolarHBondContact O-CD1 3.46Å; W122-I126 WeakPolarHBondContact O-CG1 3.49Å; W122-I126 PolarHBondContact O-N 2.85Å
123R73.4Confident69.9Low118 Ų11865.1 Ų65.145%0.44532%0.315SS..Hα-helixtrans-66.9-44.2-177.7-72.1-173.9-78.4-113.22.4110.8L113 V120 G125 I126 H127L113-R123 HydrophobicContact CD1-CG 4.15Å; V120-R123 PolarHBondContact O-N 2.99Å; R123-G125 VanDerWaalsContact C-N 3.34Å; R123-G125 PolarHBondContact O-N 3.17Å; R123-I126 WeakPolarHBondContact O-CB 3.35Å; R123-I126 PolarHBondContact O-N 2.88Å; R123-H127 PolarHBondContact O-N 2.91Å
124L73.5Confident68.9Low53 Ų5367.7 Ų67.728%0.27733%0.328SS..Hα-helixtrans-60.5-43.7175-177.362.3000111.9H127 K128L124-H127 PolarHBondContact O-N 3.47Å; L124-K128 HydrophobicContact CD1-CD 4.41Å; L124-K128 HydrophobicContact CD1-CG 4.5Å; L124-K128 HydrophobicContact CG-CD 4.16Å; L124-K128 WeakPolarHBondContact O-CB 3.46Å; L124-K128 VanDerWaalsContact O-CG 3.31Å; L124-K128 WeakPolarHBondContact O-CG 3.26Å; L124-K128 PolarHBondContact O-N 3.32Å
125G67.8Low68Low1 Ų162.1 Ų62.11%0.0132%0.322CS..Hα-helixtrans-64.3-38.6176.500000113.5Y109 G121 W122 R123 A129Y109-G125 WeakPolarHBondContact CD2-O 3.46Å; Y109-G125 VanDerWaalsContact CE2-C 3.45Å; Y109-G125 VanDerWaalsContact CE2-CA 3.48Å; Y109-G125 WeakPolarHBondContact CE2-O 3.19Å; Y109-G125 VanDerWaalsContact CZ-CA 3.48Å; G121-G125 PolarHBondContact O-N 2.98Å; W122-G125 PolarHBondContact O-N 3.16Å; R123-G125 VanDerWaalsContact C-N 3.34Å; R123-G125 PolarHBondContact O-N 3.17Å; G125-A129 VanDerWaalsContact O-CB 3.27Å; G125-A129 WeakPolarHBondContact O-CB 3.23Å; G125-A129 PolarHBondContact O-N 3.15Å
126I73.5Confident67Low21 Ų2162.1 Ų62.111%0.10833%0.328CS..Hα-helixtrans-59.5-52.3173.5-73.6164.1000110L106 R110 L113 W122 R123 A129 E130L106-I126 HydrophobicContact CD1-CB 4.1Å; L106-I126 HydrophobicContact CD1-CG1 4.11Å; L106-I126 HydrophobicContact CD1-CG2 3.75Å; R110-I126 HydrophobicContact CG-CD1 3.8Å; R110-I126 HydrophobicContact CG-CG1 3.94Å; L113-I126 HydrophobicContact CB-CD1 4.45Å; L113-I126 HydrophobicContact CD2-CD1 3.83Å; W122-I126 WeakPolarHBondContact O-CD1 3.46Å; W122-I126 WeakPolarHBondContact O-CG1 3.49Å; W122-I126 PolarHBondContact O-N 2.85Å; R123-I126 WeakPolarHBondContact O-CB 3.35Å; R123-I126 PolarHBondContact O-N 2.88Å; I126-A129 PolarHBondContact O-N 2.96Å; I126-E130 HydrophobicContact CG2-CG 4.4Å; I126-E130 WeakPolarHBondContact CG2-OE1 3.33Å; I126-E130 WeakPolarHBondContact O-CB 3.44Å; I126-E130 WeakPolarHBondContact O-CG 3.5Å; I126-E130 PolarHBondContact O-N 3.14Å
127H71.7Confident65.4Low99 Ų9961.3 Ų61.346%0.45834%0.335SS..Hα-helixtrans-60.1-50.4-178.7-174.763.1000111.7R123 L124 A129 E130 E131R123-H127 PolarHBondContact O-N 2.91Å; L124-H127 PolarHBondContact O-N 3.47Å; H127-A129 VanDerWaalsContact C-N 3.3Å; H127-A129 PolarHBondContact O-N 3.39Å; H127-E130 PolarHBondContact O-N 2.8Å; H127-E130 VanDerWaalsContact O-N 3.14Å; H127-E131 IonicContact CE1-OE1 2.73Å; H127-E131 IonicContact NE2-OE1 3.5Å; H127-E131 PolarHBondContact NE2-OE1 3.41Å; H127-E131 IonicContact NE2-OE2 2.69Å; H127-E131 WeakPolarHBondContact O-CG 3.41Å; H127-E131 PolarHBondContact O-N 3.17Å
128K78.2Confident64.2Low84 Ų8460.7 Ų60.737%0.36534%0.343SS..Hα-helixtrans-54.9-44.8175.7-74.5176.3177.51780112.4Y97 L124 A132Y97-K128 HydrophobicContact CE2-CB 3.84Å; Y97-K128 WeakPolarHBondContact CE2-O 3.38Å; L124-K128 HydrophobicContact CD1-CD 4.41Å; L124-K128 HydrophobicContact CD1-CG 4.5Å; L124-K128 HydrophobicContact CG-CD 4.16Å; L124-K128 WeakPolarHBondContact O-CB 3.46Å; L124-K128 VanDerWaalsContact O-CG 3.31Å; L124-K128 WeakPolarHBondContact O-CG 3.26Å; L124-K128 PolarHBondContact O-N 3.32Å; K128-A132 VanDerWaalsContact O-CB 3.29Å; K128-A132 WeakPolarHBondContact O-CB 3.36Å; K128-A132 PolarHBondContact O-N 3.17Å
129A71.8Confident62.4Low0 Ų057.1 Ų57.10%034%0.337CS..Hα-helixtrans-68.4-40179.500000111.9Y97 A105 L106 Y109 G125 I126 H127 A132 I133Y97-A129 HydrophobicContact CD2-CB 4.32Å; A105-A129 HydrophobicContact CB-CB 4.46Å; L106-A129 HydrophobicContact CB-CB 3.93Å; L106-A129 HydrophobicContact CD1-CB 4.4Å; Y109-A129 HydrophobicContact CD2-CB 4.38Å; Y109-A129 HydrophobicContact CE2-CB 4.45Å; G125-A129 VanDerWaalsContact O-CB 3.27Å; G125-A129 WeakPolarHBondContact O-CB 3.23Å; G125-A129 PolarHBondContact O-N 3.15Å; I126-A129 PolarHBondContact O-N 2.96Å; H127-A129 VanDerWaalsContact C-N 3.3Å; H127-A129 PolarHBondContact O-N 3.39Å; A129-A132 PolarHBondContact O-N 2.88Å; A129-I133 WeakPolarHBondContact O-CD1 3.12Å; A129-I133 WeakPolarHBondContact O-CG1 3.47Å; A129-I133 PolarHBondContact O-N 2.63Å
130E69.4Low60.7Low61 Ų6161 Ų6129%0.28537%0.368SS..Hα-helixtrans-63.4-46.7176.5-75.3171.2172.400111.7L106 R110 I126 H127 A132 I133 I134L106-E130 HydrophobicContact CD1-CG 3.8Å; L106-E130 HydrophobicContact CD2-CG 3.85Å; L106-E130 HydrophobicContact CG-CG 4.5Å; R110-E130 IonicContact CZ-OE1 2.66Å; R110-E130 IonicContact NE-OE1 3.76Å; R110-E130 IonicContact NH2-OE1 3.43Å; R110-E130 PolarHBondContact NH2-OE1 3.41Å; I126-E130 HydrophobicContact CG2-CG 4.4Å; I126-E130 WeakPolarHBondContact CG2-OE1 3.33Å; I126-E130 WeakPolarHBondContact O-CB 3.44Å; I126-E130 WeakPolarHBondContact O-CG 3.5Å; I126-E130 PolarHBondContact O-N 3.14Å; H127-E130 PolarHBondContact O-N 2.8Å; H127-E130 VanDerWaalsContact O-N 3.14Å; E130-A132 VanDerWaalsContact C-N 3.35Å; E130-A132 PolarHBondContact O-N 2.97Å; E130-I133 PolarHBondContact O-N 3.48Å; E130-I134 WeakPolarHBondContact O-CB 3.32Å; E130-I134 WeakPolarHBondContact O-CD1 3.42Å; E130-I134 WeakPolarHBondContact O-CG1 3.44Å; E130-I134 PolarHBondContact O-N 2.95Å
131E70.9Confident58.9Low110 Ų11063.2 Ų63.251%0.51439%0.385SS..Hα-helixtrans-60.5-43.3175.2-70.3-170.1139.700112.2H127 I133 I134 G135H127-E131 IonicContact CE1-OE1 2.73Å; H127-E131 IonicContact NE2-OE1 3.5Å; H127-E131 PolarHBondContact NE2-OE1 3.41Å; H127-E131 IonicContact NE2-OE2 2.69Å; H127-E131 WeakPolarHBondContact O-CG 3.41Å; H127-E131 PolarHBondContact O-N 3.17Å; E131-I133 PolarHBondContact O-N 2.95Å; E131-I134 PolarHBondContact O-N 3.25Å; E131-G135 PolarHBondContact O-N 2.97Å
132A67.6Low56.8Low20 Ų2071.5 Ų71.517%0.16542%0.416CS..Hα-helixtrans-66.1-36.8178.100000112.6Y97 F102 K128 A129 E130 G135 S136Y97-A132 HydrophobicContact CE2-CB 4.01Å; F102-A132 HydrophobicContact CB-CB 4.3Å; F102-A132 HydrophobicContact CD1-CB 3.46Å; F102-A132 VanDerWaalsContact CD1-CB 3.46Å; F102-A132 HydrophobicContact CD2-CB 3.77Å; F102-A132 HydrophobicContact CE1-CB 3.55Å; F102-A132 HydrophobicContact CE2-CB 3.85Å; F102-A132 HydrophobicContact CG-CB 3.58Å; F102-A132 HydrophobicContact CZ-CB 3.75Å; K128-A132 VanDerWaalsContact O-CB 3.29Å; K128-A132 WeakPolarHBondContact O-CB 3.36Å; K128-A132 PolarHBondContact O-N 3.17Å; A129-A132 PolarHBondContact O-N 2.88Å; E130-A132 VanDerWaalsContact C-N 3.35Å; E130-A132 PolarHBondContact O-N 2.97Å; A132-G135 PolarHBondContact O-N 3.38Å; A132-S136 WeakPolarHBondContact O-CB 3.26Å; A132-S136 PolarHBondContact O-N 3.42Å; A132-S136 PolarHBondContact O-OG 2.72Å
133I59.8Low54.5Low33 Ų3378 Ų7817%0.16945%0.45CS..Hα-helixtrans-63.2-49.5172.3-67.7160.7000109.7F102 E103 L106 A129 E130 E131 G135 S136 V137F102-I133 HydrophobicContact CB-CD1 4.17Å; F102-I133 HydrophobicContact CB-CG1 3.45Å; F102-I133 VanDerWaalsContact CB-CG1 3.45Å; E103-I133 HydrophobicContact CG-CD1 4.08Å; E103-I133 HydrophobicContact CG-CG1 4.19Å; L106-I133 HydrophobicContact CB-CD1 4.31Å; L106-I133 HydrophobicContact CD2-CD1 3.77Å; A129-I133 WeakPolarHBondContact O-CD1 3.12Å; A129-I133 WeakPolarHBondContact O-CG1 3.47Å; A129-I133 PolarHBondContact O-N 2.63Å; E130-I133 PolarHBondContact O-N 3.48Å; E131-I133 PolarHBondContact O-N 2.95Å; I133-G135 VanDerWaalsContact C-N 3.28Å; I133-G135 PolarHBondContact O-N 3.21Å; I133-S136 WeakPolarHBondContact CA-OG 3.15Å; I133-S136 PolarHBondContact O-N 3.12Å; I133-S136 PolarHBondContact O-OG 3.01Å; I133-V137 HydrophobicContact CG2-CG2 4.22Å; I133-V137 WeakPolarHBondContact O-CG2 3.44Å; I133-V137 PolarHBondContact O-N 3.05Å; I133-V137 VanDerWaalsContact O-N 3.1Å
134I52.5Low52.1Low103 Ų10380.5 Ų80.553%0.52846%0.464SS..Hα-helixtrans-57.9-42.7178.9-68.6163.1000110.6E130 E131 S136E130-I134 WeakPolarHBondContact O-CB 3.32Å; E130-I134 WeakPolarHBondContact O-CD1 3.42Å; E130-I134 WeakPolarHBondContact O-CG1 3.44Å; E130-I134 PolarHBondContact O-N 2.95Å; E131-I134 PolarHBondContact O-N 3.25Å; I134-S136 PolarHBondContact O-N 3.39Å
135G51.3Low49.8Very low65 Ų6583.1 Ų83.167%0.6748%0.484SS*.Hα-helixtrans-66.2-32.1175.400000114.3E131 A132 I133E131-G135 PolarHBondContact O-N 2.97Å; A132-G135 PolarHBondContact O-N 3.38Å; I133-G135 VanDerWaalsContact C-N 3.28Å; I133-G135 PolarHBondContact O-N 3.21Å
136S49.8Very low47.5Very low69 Ų6992.6 Ų92.648%0.48353%0.528SS..Hα-helixtrans-83.1-26-177.371.10000115A132 I133 I134 G138A132-S136 WeakPolarHBondContact O-CB 3.26Å; A132-S136 PolarHBondContact O-N 3.42Å; A132-S136 PolarHBondContact O-OG 2.72Å; I133-S136 WeakPolarHBondContact CA-OG 3.15Å; I133-S136 PolarHBondContact O-N 3.12Å; I133-S136 PolarHBondContact O-OG 3.01Å; I134-S136 PolarHBondContact O-N 3.39Å; S136-G138 VanDerWaalsContact C-N 3.29Å; S136-G138 PolarHBondContact O-N 2.94Å
137V38.7Very low45.1Very low95 Ų9596.6 Ų96.658%0.57655%0.553SS**SBendtrans-79.5-7.9-174.5171.70000113.1I133 S139I133-V137 HydrophobicContact CG2-CG2 4.22Å; I133-V137 WeakPolarHBondContact O-CG2 3.44Å; I133-V137 PolarHBondContact O-N 3.05Å; I133-V137 VanDerWaalsContact O-N 3.1Å; V137-S139 PolarHBondContact O-N 3.35Å
138G41.9Very low42.9Very low64 Ų64101.3 Ų101.366%0.6658%0.578SS**  trans52.154.6171.300000112.7S136S136-G138 VanDerWaalsContact C-N 3.29Å; S136-G138 PolarHBondContact O-N 2.94Å
139S28.4Very low40.4Very low100 Ų10099.9 Ų99.970%0.69959%0.586SS**  trans-150.792.2168.9-75.80000111.1V137V137-S139 PolarHBondContact O-N 3.35Å
140S30.6Very low38.4Very low123 Ų123107.1 Ų107.186%0.8663%0.625SS**SBendtrans5170.3145-168.20000119
141S24.9Very low36.8Very low88 Ų88110.1 Ų110.162%0.61564%0.643SS**  trans-156.975.9146.752.60000110.4
142F24.9Very low34.8Very low195 Ų195110.2 Ų110.286%0.85566%0.656SS**  trans-76111.6150.7-82.2-83.7000107
143I24.5Very low33.3Very low136 Ų136119.2 Ų119.270%0.69769%0.687SS**  trans-77.7105.5140.7-65.6171.4000103.8
144K22.5Very low31.7Very low171 Ų171124 Ų12474%0.74371%0.712SS**  trans-72.4127.3159.3-75.8-179174.9-177.20105.9E146K144-E146 PolarHBondContact O-N 2.98Å
145P24.3Very low30.9Very low108 Ų108128.1 Ų128.170%0.70173%0.729SS**  trans-59.2128.4157.2-14.728.5000107.4V147P145-V147 PolarHBondContact O-N 3.42Å
146E20.6Very low30.1Very low199 Ų199134 Ų13493%0.9374%0.739SS**  trans-61.6105.6166.8-83.2-177.6147.900108.5K144K144-E146 PolarHBondContact O-N 2.98Å
147V22.9Very low29.1Very low106 Ų106139.8 Ų139.864%0.64276%0.758SS**  trans-97.6112.6156.9177.10000105.7P145 G149P145-V147 PolarHBondContact O-N 3.42Å; V147-G149 PolarHBondContact O-N 3.21Å
148M24.4Very low28.5Very low198 Ų198144 Ų14498%0.97578%0.776SS**  trans-66107.9163.4-89.2-160.1-76.200108.6
149G25.8Very low27.7Very low53 Ų53144.1 Ų144.155%0.54678%0.778SS.*SBendtrans167.7127.8172.600000112.7V147 L151V147-G149 PolarHBondContact O-N 3.21Å; G149-L151 PolarHBondContact O-N 3.15Å
150D31.1Very low27.4Very low153 Ų153150.3 Ų150.382%0.81879%0.786SS**  trans-61.7125.8-172.3-156.5-0.8000112.7
151L35Very low27.2Very low123 Ų123153.4 Ų153.464%0.64478%0.784SS**  trans-122.757.8-175.5-78.7172000112G149 Y153 L154G149-L151 PolarHBondContact O-N 3.15Å; L151-Y153 PolarHBondContact O-N 3.04Å; L151-L154 HydrophobicContact CD1-CD1 4.3Å; L151-L154 HydrophobicContact CD2-CD1 4.13Å
152S29.4Very low27.1Very low113 Ų113157.2 Ų157.279%0.7979%0.792SS**THydrogen-bonded Turntrans-78.924.4169.745.30000114
153Y35.9Very low27.2Very low209 Ų209154 Ų15482%0.8279%0.79SS**THydrogen-bonded Turntrans-123.3-1.4-174.8-173.9-107.9000115.3L151L151-Y153 PolarHBondContact O-N 3.04Å
154L26.6Very low27.2Very low133 Ų133155.6 Ų155.670%0.69680%0.798SS**  trans-101.225.3-174.2-71.7173.4000115.6L151L151-L154 HydrophobicContact CD1-CD1 4.3Å; L151-L154 HydrophobicContact CD2-CD1 4.13Å
155E36.4Very low27.4Very low189 Ų189151.5 Ų151.588%0.88380%0.797SS**  trans-107.679.3164.3-78.6-172.716100110.3
156E33.9Very low27.5Very low188 Ų188150.9 Ų150.988%0.87979%0.79SS**  trans-170.2146.8144.1-107.7166.2-170.700111
157E27.5Very low27.9Very low191 Ų191147.8 Ų147.889%0.89379%0.785SS**  trans87.771.3177.2-54.9-158.8147.600118.9
158I27.5Very low28Very low183 Ų183150.5 Ų150.594%0.93879%0.79SS**  trans-108.7114.4146.5-62.1175000108.6
159G23.8Very low28.2Very low68 Ų68146.8 Ų146.870%0.70177%0.774SS**  trans-163.498.3174.200000116.3
160R22.9Very low28.1Very low230 Ų230152.4 Ų152.487%0.86879%0.791SS**  trans69.5140.2151.3-69.9176.3175.5-175.80.4116.7
161K25.7Very low27.8Very low188 Ų188150.5 Ų150.582%0.81779%0.785SS**  cis-166.216525-115.3163.8-176.4-174.80110.4
162Q24.3Very low27.4Very low168 Ų168154.4 Ų154.479%0.78580%0.797SS**PPolyproline II helixtrans-66.6168.1-169.3-75.4-172.4-9.200119.1
163P25.6Very low27.4Very low127 Ų127158.2 Ų158.283%0.82580%0.799SS**PPolyproline II helixtrans-86164.2-175.21.618.7000115.6
164I25.1Very low26.9Very low170 Ų170156.1 Ų156.187%0.87280%0.803SS**PPolyproline II helixtrans-91136.2-178.6-67.6164.1000111.5
165A27.8Very low26.9Very low85 Ų85160.2 Ų160.270%0.70281%0.809SS**PPolyproline II helixtrans-83156.6175.200000113.6
166V24.8Very low26.3Very low94 Ų94155.1 Ų155.157%0.5779%0.794SS**  trans-168.3125.9134167.80000108.8R69R69-V166 PolarHBondContact NH1-O 3.46Å; R69-V166 PolarHBondContact NH2-O 3.41Å
167V28.6Very low26Very low135 Ų135152.2 Ų152.282%0.81879%0.792SS**  trans-127.1143.3165172.30000107.8
168Q26.3Very low26.3Very low162 Ų162147.7 Ų147.776%0.75778%0.777SS**  trans-158.6146155.4-78.4-162.2-7.100107.4
169N28.7Very low26.5Very low120 Ų120141.5 Ų141.564%0.64275%0.753SS**  cis-164.1152.1-6.4-85.4-34.2000104
170L22.9Very low26.8Very low171 Ų171145.7 Ų145.790%0.89576%0.756SS**  177.5144.689.8-91.3166.3000110.4
171T24.2Very low27.3Very low113 Ų113143.1 Ų143.169%0.69375%0.751SS**  trans-97.6152.3-172.451.60000114
172K27.3Very low28Very low205 Ų205137.4 Ų137.489%0.89173%0.725SS**  167.8154.6109.3-92.3174.1-173.7178.30115.2
173K29.9Very low28.9Very low193 Ų193134.1 Ų134.184%0.83971%0.71SS**  trans-74.6154.9-168.1-78.1170.4165174.90116.3
174D25.3Very low29.8Very low166 Ų166137.7 Ų137.789%0.88871%0.707SS**  -166.7147.5108.3-104.4-18.4000114
175R26.8Very low30.9Very low218 Ų218132.1 Ų132.182%0.82368%0.68SS**  trans-108.8136.5-178.9-84.6-177.5175.5177.1-1.2111
176S24.3Very low31.9Very low83 Ų83128.2 Ų128.258%0.5865%0.648SS**  trans-135.4-18017582.70000110V178 A179S176-V178 PolarHBondContact O-N 3.04Å; S176-A179 PolarHBondContact O-N 2.94Å
177P27.5Very low33.3Very low127 Ų127129.8 Ų129.883%0.82564%0.644SS**THydrogen-bonded Turntrans-66.610.1-158.625.9-32.4000117A179P177-A179 PolarHBondContact O-N 3.01Å
178V32.4Very low34.3Very low96 Ų96131.1 Ų131.158%0.58264%0.641SS**THydrogen-bonded Turntrans-61.9-25.8167.1-177.70000112S176 M180 K181 Y182S176-V178 PolarHBondContact O-N 3.04Å; V178-M180 VanDerWaalsContact C-N 3.26Å; V178-M180 PolarHBondContact O-N 3.36Å; V178-M180 VanDerWaalsContact O-N 3.09Å; V178-K181 PolarHBondContact O-N 3.34Å; V178-Y182 VanDerWaalsContact O-CB 3.28Å; V178-Y182 WeakPolarHBondContact O-CB 3.49Å; V178-Y182 PolarHBondContact O-N 3.33Å
179A31.7Very low35.5Very low53 Ų53125.3 Ų125.344%0.43862%0.615SS.*Hα-helixtrans-55.9-30.2-172.100000115.4S176 P177 Y182 E183S176-A179 PolarHBondContact O-N 2.94Å; P177-A179 PolarHBondContact O-N 3.01Å; A179-Y182 WeakPolarHBondContact O-CB 3.3Å; A179-E183 PolarHBondContact O-N 3.09Å; A179-E183 VanDerWaalsContact O-N 3.14Å
180M30.1Very low36.5Very low155 Ų155120.1 Ų120.176%0.76459%0.587SS**Hα-helixtrans-85.4-29.2-175.9-142.6-176.4-7200113.2V178V178-M180 VanDerWaalsContact C-N 3.26Å; V178-M180 PolarHBondContact O-N 3.36Å; V178-M180 VanDerWaalsContact O-N 3.09Å
181K34Very low38.4Very low176 Ų176114.1 Ų114.177%0.76557%0.566SS**Hα-helixtrans-74.4-38.4166.3-89.2-177.8176.5178.70110.4V178 E183 T185V178-K181 PolarHBondContact O-N 3.34Å; K181-E183 VanDerWaalsContact C-N 3.34Å; K181-E183 PolarHBondContact O-N 3.38Å; K181-T185 PolarHBondContact O-N 3.39Å; K181-T185 PolarHBondContact O-OG1 3.48Å
182Y41Very low39.6Very low68 Ų68111.4 Ų111.427%0.26756%0.561SS.*Hα-helixtrans-54.8-47.5177.6-170.3-99.4000111.4V178 A179 R184 T185 T186 D236V178-Y182 VanDerWaalsContact O-CB 3.28Å; V178-Y182 WeakPolarHBondContact O-CB 3.49Å; V178-Y182 PolarHBondContact O-N 3.33Å; A179-Y182 WeakPolarHBondContact O-CB 3.3Å; Y182-R184 PolarHBondContact O-N 2.88Å; Y182-T185 CarbonylContact O-C 3.46Å; Y182-T185 WeakPolarHBondContact O-CB 3.44Å; Y182-T185 PolarHBondContact O-N 2.89Å; Y182-T185 VanDerWaalsContact O-N 3.07Å; Y182-T186 WeakPolarHBondContact CD1-OG1 3.5Å; Y182-T186 WeakPolarHBondContact CE1-OG1 3.4Å; Y182-T186 PolarHBondContact O-N 3.28Å; Y182-T186 PolarHBondContact O-OG1 3.17Å; Y182-D236 WeakPolarHBondContact CE2-OD1 3.32Å; Y182-D236 PolarHBondContact OH-OD1 3.07Å; Y182-D236 PolarHBondContact OH-OD2 3.34Å; Y182-D236 VanDerWaalsContact OH-OD2 3.11Å
183E41.8Very low40.7Very low100 Ų100108.1 Ų108.147%0.46755%0.546SS..Hα-helixtrans-59.8-38.2-174.6-164.6178.8174.800115.3A179 K181 R187A179-E183 PolarHBondContact O-N 3.09Å; A179-E183 VanDerWaalsContact O-N 3.14Å; K181-E183 VanDerWaalsContact C-N 3.34Å; K181-E183 PolarHBondContact O-N 3.38Å; E183-R187 PolarHBondContact O-N 3.24Å
184R46.2Very low42.1Very low202 Ų202100.8 Ų100.876%0.76251%0.514SS*.Hα-helixtrans-71.2-38.1175.5-74.9-176.9-178.1166.81.2111.8Y182 R187 H188Y182-R184 PolarHBondContact O-N 2.88Å; R184-R187 PolarHBondContact O-N 3.29Å; R184-H188 PolarHBondContact O-N 3.34Å
185T47.6Very low44Very low52 Ų52100.3 Ų100.332%0.31951%0.506SS..Hα-helixtrans-67.8-42.5176.9-38.90000110.4K181 Y182 R187 H188 L189 I244K181-T185 PolarHBondContact O-N 3.39Å; K181-T185 PolarHBondContact O-OG1 3.48Å; Y182-T185 CarbonylContact O-C 3.46Å; Y182-T185 WeakPolarHBondContact O-CB 3.44Å; Y182-T185 PolarHBondContact O-N 2.89Å; Y182-T185 VanDerWaalsContact O-N 3.07Å; T185-R187 VanDerWaalsContact C-N 3.31Å; T185-R187 PolarHBondContact O-N 3.08Å; T185-H188 PolarHBondContact O-N 3.44Å; T185-L189 HydrophobicContact CG2-CD1 3.8Å; T185-L189 HydrophobicContact CG2-CG 4.46Å; T185-L189 WeakPolarHBondContact O-CB 3.43Å; T185-L189 WeakPolarHBondContact O-CD1 3.41Å; T185-L189 WeakPolarHBondContact O-CG 3.34Å; T185-L189 PolarHBondContact O-N 3.45Å; T185-I244 HydrophobicContact CG2-CD1 4.39Å
186T49.3Very low45.4Very low3 Ų395.1 Ų95.12%0.01849%0.491CS..Hα-helixtrans-61.6-37.7176.2-39.60000111.8Y182 L190 A235Y182-T186 WeakPolarHBondContact CD1-OG1 3.5Å; Y182-T186 WeakPolarHBondContact CE1-OG1 3.4Å; Y182-T186 PolarHBondContact O-N 3.28Å; Y182-T186 PolarHBondContact O-OG1 3.17Å; T186-L190 HydrophobicContact CG2-CD1 3.49Å; T186-L190 VanDerWaalsContact CG2-CD1 3.49Å; T186-L190 HydrophobicContact CG2-CG 4.07Å; T186-L190 VanDerWaalsContact O-CB 3.28Å; T186-L190 WeakPolarHBondContact O-CB 3.14Å; T186-L190 WeakPolarHBondContact O-CG 3.31Å; T186-L190 PolarHBondContact O-N 2.88Å; T186-A235 HydrophobicContact CG2-CB 3.36Å
187R53.8Low47.4Very low128 Ų12892 Ų9248%0.48347%0.467SS..Hα-helixtrans-65-40.9177.5-173.4178.9-64.5144.14.1112.7E183 R184 T185 G191 Y194E183-R187 PolarHBondContact O-N 3.24Å; R184-R187 PolarHBondContact O-N 3.29Å; T185-R187 VanDerWaalsContact C-N 3.31Å; T185-R187 PolarHBondContact O-N 3.08Å; R187-G191 PolarHBondContact O-N 3Å; R187-Y194 VanDerWaalsContact CA-CD2 3.4Å; R187-Y194 HydrophobicContact CB-CD1 4.22Å; R187-Y194 HydrophobicContact CB-CD2 3.76Å; R187-Y194 HydrophobicContact CB-CE1 4.25Å; R187-Y194 HydrophobicContact CB-CE2 3.79Å; R187-Y194 HydrophobicContact CB-CG 3.99Å; R187-Y194 HydrophobicContact CG-CD1 3.7Å; R187-Y194 HydrophobicContact CG-CD2 4.14Å; R187-Y194 HydrophobicContact CG-CE1 3.93Å; R187-Y194 HydrophobicContact CG-CE2 4.34Å; R187-Y194 HydrophobicContact CG-CG 3.82Å; R187-Y194 PolarHBondContact NH2-OH 3.32Å
188H49.8Very low49.2Very low163 Ų16387.1 Ų87.176%0.75544%0.44SS*.Hα-helixtrans-71.7-38.6179.3-162.265.5000111.9R184 T185R184-H188 PolarHBondContact O-N 3.34Å; T185-H188 PolarHBondContact O-N 3.44Å
189L50.3Low51Low40 Ų4088.5 Ų88.521%0.20944%0.438CS..Hα-helixtrans-77.9-32.4-177.1-64.8170.7000113.6T185 A235 W238T185-L189 HydrophobicContact CG2-CD1 3.8Å; T185-L189 HydrophobicContact CG2-CG 4.46Å; T185-L189 WeakPolarHBondContact O-CB 3.43Å; T185-L189 WeakPolarHBondContact O-CD1 3.41Å; T185-L189 WeakPolarHBondContact O-CG 3.34Å; T185-L189 PolarHBondContact O-N 3.45Å; L189-A235 WeakPolarHBondContact CD1-O 3.25Å; L189-W238 HydrophobicContact CB-CB 4.01Å; L189-W238 HydrophobicContact CD1-CB 4.49Å; L189-W238 HydrophobicContact CD2-CB 3.81Å; L189-W238 HydrophobicContact CG-CB 4.31Å
190L49.4Very low52.6Low11 Ų1187.5 Ų87.56%0.05843%0.425CS..Hα-helixtrans-86.9-12.6178.5-68.9179.3000114.4T186 G192 F193 K197 L231 C234 A235T186-L190 HydrophobicContact CG2-CD1 3.49Å; T186-L190 VanDerWaalsContact CG2-CD1 3.49Å; T186-L190 HydrophobicContact CG2-CG 4.07Å; T186-L190 VanDerWaalsContact O-CB 3.28Å; T186-L190 WeakPolarHBondContact O-CB 3.14Å; T186-L190 WeakPolarHBondContact O-CG 3.31Å; T186-L190 PolarHBondContact O-N 2.88Å; L190-G192 PolarHBondContact O-N 2.96Å; L190-F193 HydrophobicContact CB-CB 4.47Å; L190-F193 WeakPolarHBondContact O-CB 3.39Å; L190-F193 PolarHBondContact O-N 3.47Å; L190-K197 HydrophobicContact CD1-CD 4.06Å; L190-L231 WeakPolarHBondContact CD1-O 3.46Å; L190-L231 VanDerWaalsContact CD2-O 3.28Å; L190-L231 WeakPolarHBondContact CD2-O 3.45Å; L190-C234 HydrophobicContact CD2-CB 3.97Å; L190-A235 HydrophobicContact CD1-CB 3.99Å; L190-A235 HydrophobicContact CD2-CB 3.85Å; L190-A235 HydrophobicContact CG-CB 3.71Å
191G62.9Low54.8Low44 Ų4484 Ų8445%0.45441%0.407SS..THydrogen-bonded Turntrans51.7-129.3-179.500000112.7R187 F193 Y194R187-G191 PolarHBondContact O-N 3Å; G191-F193 PolarHBondContact O-N 3.39Å; G191-Y194 WeakPolarHBondContact O-CB 3.46Å; G191-Y194 PolarHBondContact O-N 2.95Å; G191-Y194 VanDerWaalsContact O-N 3.15Å
192G51.3Low56.9Low57 Ų5782.9 Ų82.959%0.58840%0.402SS*.THydrogen-bonded Turntrans-61.6-23.9178.300000114.7L190 Y194 E195L190-G192 PolarHBondContact O-N 2.96Å; G192-Y194 PolarHBondContact O-N 3.34Å; G192-E195 PolarHBondContact O-N 3.08Å
193F49.6Very low58.2Low135 Ų13581.9 Ų81.959%0.59240%0.401SS*.Hα-helixtrans-72-13.4176.9-62.4-78.9000113.7L190 G191 E195 H196 K197 L231L190-F193 HydrophobicContact CB-CB 4.47Å; L190-F193 WeakPolarHBondContact O-CB 3.39Å; L190-F193 PolarHBondContact O-N 3.47Å; G191-F193 PolarHBondContact O-N 3.39Å; F193-E195 VanDerWaalsContact C-N 3.35Å; F193-H196 PolarHBondContact O-N 3.28Å; F193-K197 PolarHBondContact O-N 3.43Å; F193-L231 HydrophobicContact CB-CD2 3.99Å
194Y59.4Low59.5Low39 Ų3979.2 Ų79.215%0.15339%0.39CS..Hα-helixtrans-66.4-36.1173.8-175.8-92.8000112.2R187 G191 G192 K197 G198R187-Y194 VanDerWaalsContact CA-CD2 3.4Å; R187-Y194 HydrophobicContact CB-CD1 4.22Å; R187-Y194 HydrophobicContact CB-CD2 3.76Å; R187-Y194 HydrophobicContact CB-CE1 4.25Å; R187-Y194 HydrophobicContact CB-CE2 3.79Å; R187-Y194 HydrophobicContact CB-CG 3.99Å; R187-Y194 HydrophobicContact CG-CD1 3.7Å; R187-Y194 HydrophobicContact CG-CD2 4.14Å; R187-Y194 HydrophobicContact CG-CE1 3.93Å; R187-Y194 HydrophobicContact CG-CE2 4.34Å; R187-Y194 HydrophobicContact CG-CG 3.82Å; R187-Y194 PolarHBondContact NH2-OH 3.32Å; G191-Y194 WeakPolarHBondContact O-CB 3.46Å; G191-Y194 PolarHBondContact O-N 2.95Å; G191-Y194 VanDerWaalsContact O-N 3.15Å; G192-Y194 PolarHBondContact O-N 3.34Å; Y194-K197 WeakPolarHBondContact O-CB 3.2Å; Y194-K197 PolarHBondContact O-N 2.96Å; Y194-G198 PolarHBondContact O-N 3.43Å
195E63.8Low60.8Low157 Ų15777.6 Ų77.673%0.73439%0.388SS*.Hα-helixtrans-68.7-37.5176.9-62.1-158.5158.200111.4G192 F193 G198 F199G192-E195 PolarHBondContact O-N 3.08Å; F193-E195 VanDerWaalsContact C-N 3.35Å; E195-G198 PolarHBondContact O-N 3.39Å; E195-F199 WeakPolarHBondContact O-CB 3.43Å; E195-F199 PolarHBondContact O-N 3.18Å
196H57.6Low62.2Low109 Ų10979 Ų7951%0.50539%0.394SS..Hα-helixtrans-64.2-40.3172.7-63.2-54.4000112.1F193 G198 F199 L200F193-H196 PolarHBondContact O-N 3.28Å; H196-G198 PolarHBondContact O-N 3.34Å; H196-F199 PolarHBondContact O-N 3.04Å; H196-L200 WeakPolarHBondContact O-CB 3.44Å; H196-L200 WeakPolarHBondContact O-CG 3.19Å; H196-L200 PolarHBondContact O-N 3.32Å
197K66.3Low63.2Low17 Ų1785 Ų857%0.07442%0.422CS..Hα-helixtrans-59.4-46.9172.3-173.4-174168.6-169.60111.8L190 F193 Y194 F199 L200 E201 I228 L231 N232L190-K197 HydrophobicContact CD1-CD 4.06Å; F193-K197 PolarHBondContact O-N 3.43Å; Y194-K197 WeakPolarHBondContact O-CB 3.2Å; Y194-K197 PolarHBondContact O-N 2.96Å; K197-F199 VanDerWaalsContact C-N 3.33Å; K197-F199 PolarHBondContact O-N 3.49Å; K197-L200 PolarHBondContact O-N 3.45Å; K197-E201 WeakPolarHBondContact CE-OE1 3.48Å; K197-E201 WeakPolarHBondContact O-CB 3.37Å; K197-E201 WeakPolarHBondContact O-CG 3.33Å; K197-E201 PolarHBondContact O-N 3.12Å; K197-I228 HydrophobicContact CG-CG2 4.35Å; K197-L231 HydrophobicContact CB-CD1 3.84Å; K197-L231 HydrophobicContact CG-CB 4.45Å; K197-L231 HydrophobicContact CG-CD1 4.38Å; K197-N232 WeakPolarHBondContact CE-OD1 3.42Å; K197-N232 PolarHBondContact NZ-OD1 3.33Å
198G64.3Low63.9Low24 Ų2485.1 Ų85.125%0.24743%0.432CS..Hα-helixtrans-65.9-33.8178.100000113.3Y194 E195 H196 K202Y194-G198 PolarHBondContact O-N 3.43Å; E195-G198 PolarHBondContact O-N 3.39Å; H196-G198 PolarHBondContact O-N 3.34Å; G198-K202 WeakPolarHBondContact O-CG 3.44Å; G198-K202 PolarHBondContact O-N 3.04Å; G198-K202 VanDerWaalsContact O-N 3.08Å
199F71.5Confident64.7Low126 Ų12680 Ų8055%0.55341%0.41SS*.Hα-helixtrans-66.6-45.5172.9179.1-108.3000111.7E195 H196 K197 E201 K202 L203E195-F199 WeakPolarHBondContact O-CB 3.43Å; E195-F199 PolarHBondContact O-N 3.18Å; H196-F199 PolarHBondContact O-N 3.04Å; K197-F199 VanDerWaalsContact C-N 3.33Å; K197-F199 PolarHBondContact O-N 3.49Å; F199-E201 PolarHBondContact O-N 2.95Å; F199-K202 WeakPolarHBondContact O-CB 3.23Å; F199-K202 PolarHBondContact O-N 2.92Å; F199-L203 HydrophobicContact CD1-CD1 3.53Å; F199-L203 HydrophobicContact CE1-CD1 3.23Å; F199-L203 HydrophobicContact CE1-CG 4.42Å; F199-L203 HydrophobicContact CE2-CD1 4.24Å; F199-L203 HydrophobicContact CG-CD1 4.18Å; F199-L203 HydrophobicContact CZ-CD1 3.62Å; F199-L203 HydrophobicContact CZ-CG 4.42Å; F199-L203 PolarHBondContact O-N 3.08Å
200L65.5Low65.2Low31 Ų3180.2 Ų80.216%0.16241%0.411CS..Hα-helixtrans-63.8-39175.6-67.3166.5000111.8H196 K197 K202 L203 L204 L224 C227 I228 L231H196-L200 WeakPolarHBondContact O-CB 3.44Å; H196-L200 WeakPolarHBondContact O-CG 3.19Å; H196-L200 PolarHBondContact O-N 3.32Å; K197-L200 PolarHBondContact O-N 3.45Å; L200-K202 VanDerWaalsContact C-N 3.3Å; L200-K202 PolarHBondContact O-N 3.2Å; L200-L203 PolarHBondContact O-N 3.13Å; L200-L204 WeakPolarHBondContact O-CB 3.41Å; L200-L204 PolarHBondContact O-N 3.45Å; L200-L224 HydrophobicContact CD2-CD2 3.52Å; L200-C227 HydrophobicContact CD1-CB 3.81Å; L200-I228 HydrophobicContact CB-CD1 4Å; L200-I228 HydrophobicContact CB-CG1 3.62Å; L200-L231 HydrophobicContact CD1-CD1 3.87Å
201E75.1Confident66Low81 Ų8185.9 Ų85.938%0.37944%0.435SS..Hα-helixtrans-66.9-28.5174.6-75.5175.1173.700112.9K197 F199 I228K197-E201 WeakPolarHBondContact CE-OE1 3.48Å; K197-E201 WeakPolarHBondContact O-CB 3.37Å; K197-E201 WeakPolarHBondContact O-CG 3.33Å; K197-E201 PolarHBondContact O-N 3.12Å; F199-E201 PolarHBondContact O-N 2.95Å; E201-I228 HydrophobicContact CB-CD1 4.38Å; E201-I228 HydrophobicContact CG-CD1 3.72Å; E201-I228 HydrophobicContact CG-CG1 4.1Å; E201-I228 HydrophobicContact CG-CG2 4.05Å
202K77.6Confident66.1Low153 Ų15385.1 Ų85.167%0.66543%0.427SS*.Hα-helixtrans-74.8-43.2171.7-77.4175.3-178177.70111.8G198 F199 L200 L204 K205G198-K202 WeakPolarHBondContact O-CG 3.44Å; G198-K202 PolarHBondContact O-N 3.04Å; G198-K202 VanDerWaalsContact O-N 3.08Å; F199-K202 WeakPolarHBondContact O-CB 3.23Å; F199-K202 PolarHBondContact O-N 2.92Å; L200-K202 VanDerWaalsContact C-N 3.3Å; L200-K202 PolarHBondContact O-N 3.2Å; K202-L204 PolarHBondContact O-N 3.08Å; K202-K205 WeakPolarHBondContact O-CB 3.34Å; K202-K205 PolarHBondContact O-N 3.27Å
203L69.7Low66.7Low47 Ų4786.6 Ų86.625%0.24642%0.424CS..Hα-helixtrans-59.1-32.3172.9-83152.2000111.9F199 L200 K205 D206 L209 L224F199-L203 HydrophobicContact CD1-CD1 3.53Å; F199-L203 HydrophobicContact CE1-CD1 3.23Å; F199-L203 HydrophobicContact CE1-CG 4.42Å; F199-L203 HydrophobicContact CE2-CD1 4.24Å; F199-L203 HydrophobicContact CG-CD1 4.18Å; F199-L203 HydrophobicContact CZ-CD1 3.62Å; F199-L203 HydrophobicContact CZ-CG 4.42Å; F199-L203 PolarHBondContact O-N 3.08Å; L200-L203 PolarHBondContact O-N 3.13Å; L203-K205 PolarHBondContact O-N 3.2Å; L203-D206 PolarHBondContact O-N 3.41Å; L203-L209 HydrophobicContact CB-CD2 4.39Å; L203-L209 HydrophobicContact CD2-CD2 3.33Å; L203-L209 HydrophobicContact CG-CD2 4.48Å; L203-L224 HydrophobicContact CB-CD1 3.93Å; L203-L224 HydrophobicContact CB-CD2 4.05Å; L203-L224 HydrophobicContact CD1-CD2 4.38Å
204L69.1Low67.2Low44 Ų4482 Ų8223%0.2341%0.407CS..THydrogen-bonded Turntrans-72.80.8174.6-155.876.6000114.5L200 K202 I210 G221 L224 K225 I228L200-L204 WeakPolarHBondContact O-CB 3.41Å; L200-L204 PolarHBondContact O-N 3.45Å; K202-L204 PolarHBondContact O-N 3.08Å; L204-I210 VanDerWaalsContact C-CD1 3.48Å; L204-I210 WeakPolarHBondContact O-CD1 3.21Å; L204-G221 WeakPolarHBondContact CD1-O 3.31Å; L204-L224 HydrophobicContact CD1-CB 3.58Å; L204-L224 HydrophobicContact CD1-CD1 4.39Å; L204-K225 HydrophobicContact CD1-CD 4.42Å; L204-K225 HydrophobicContact CD1-CG 3.67Å; L204-K225 HydrophobicContact CD2-CG 3.68Å; L204-K225 HydrophobicContact CG-CG 4.29Å; L204-I228 HydrophobicContact CB-CD1 4.43Å; L204-I228 HydrophobicContact CD2-CD1 4.17Å
205K73.7Confident67.2Low169 Ų16990.5 Ų90.574%0.73545%0.445SS*.THydrogen-bonded Turntrans-100.3-9.9172.6-64.8177.5-177.5179.80112.8K202 L203 E207K202-K205 WeakPolarHBondContact O-CB 3.34Å; K202-K205 PolarHBondContact O-N 3.27Å; L203-K205 PolarHBondContact O-N 3.2Å; K205-E207 PolarHBondContact O-N 2.9Å
206D76.4Confident66.5Low82 Ų8288.9 Ų88.944%0.43944%0.442SS..  trans-83.5103.5178.1-168.1-29.1000109.8L203 D208 L209 I210L203-D206 PolarHBondContact O-N 3.41Å; D206-D208 VanDerWaalsContact C-N 3.27Å; D206-D208 PolarHBondContact O-N 3.48Å; D206-D208 PolarHBondContact OD1-N 3.27Å; D206-L209 HydrophobicContact CB-CB 4.01Å; D206-L209 PolarHBondContact O-N 3.3Å; D206-L209 PolarHBondContact OD1-N 3.04Å; D206-I210 WeakPolarHBondContact O-CD1 3.21Å; D206-I210 WeakPolarHBondContact O-CG1 3.44Å; D206-I210 PolarHBondContact O-N 3.19Å
207E70.3Confident66.7Low127 Ų12786.4 Ų86.459%0.59345%0.445SS*.Hα-helixtrans-62.9-31.2-175-81.1-157.7-168.600113.8K205 K211K205-E207 PolarHBondContact O-N 2.9Å; E207-K211 WeakPolarHBondContact O-CD 3.25Å; E207-K211 VanDerWaalsContact O-CG 3.29Å; E207-K211 WeakPolarHBondContact O-CG 3.49Å; E207-K211 PolarHBondContact O-N 2.94Å; E207-K211 IonicContact OE2-NZ 2.88Å; E207-K211 PolarHBondContact OE2-NZ 3.47Å
208D69.3Low66.3Low131 Ų13190.5 Ų90.570%0.70146%0.464SS*.Hα-helixtrans-75.7-38.8-177.9-68.7-26.5000110.2D206 G212D206-D208 VanDerWaalsContact C-N 3.27Å; D206-D208 PolarHBondContact O-N 3.48Å; D206-D208 PolarHBondContact OD1-N 3.27Å; D208-G212 PolarHBondContact O-N 2.8Å
209L65.1Low66.4Low57 Ų5796.8 Ų96.830%0.29848%0.481SS..Hα-helixtrans-68-39.7174.8-166.273.6000112L203 D206 K211 G212 M220 L224L203-L209 HydrophobicContact CB-CD2 4.39Å; L203-L209 HydrophobicContact CD2-CD2 3.33Å; L203-L209 HydrophobicContact CG-CD2 4.48Å; D206-L209 HydrophobicContact CB-CB 4.01Å; D206-L209 PolarHBondContact O-N 3.3Å; D206-L209 PolarHBondContact OD1-N 3.04Å; L209-K211 VanDerWaalsContact C-N 3.33Å; L209-K211 PolarHBondContact O-N 3.33Å; L209-G212 PolarHBondContact O-N 2.97Å; L209-G212 VanDerWaalsContact O-N 3.12Å; L209-M220 HydrophobicContact CD1-CE 4.49Å; L209-M220 WeakPolarHBondContact O-CB 3.22Å; L209-L224 HydrophobicContact CD2-CD1 4.23Å
210I61.8Low66Low43 Ų4393.5 Ų93.522%0.22147%0.468CS..Hα-helixtrans-64.6-36.2-179.6-71.6161.6000112.3L204 D206 G212 G221L204-I210 VanDerWaalsContact C-CD1 3.48Å; L204-I210 WeakPolarHBondContact O-CD1 3.21Å; D206-I210 WeakPolarHBondContact O-CD1 3.21Å; D206-I210 WeakPolarHBondContact O-CG1 3.44Å; D206-I210 PolarHBondContact O-N 3.19Å; I210-G212 VanDerWaalsContact C-N 3.28Å; I210-G221 PolarHBondContact O-N 3.43Å
211K66.1Low65.9Low131 Ų13192.1 Ų92.157%0.5746%0.461SS*.Hα-helixtrans-77.4-17.6176.6-68.5167.3-166.7157.20112.1E207 L209E207-K211 WeakPolarHBondContact O-CD 3.25Å; E207-K211 VanDerWaalsContact O-CG 3.29Å; E207-K211 WeakPolarHBondContact O-CG 3.49Å; E207-K211 PolarHBondContact O-N 2.94Å; E207-K211 IonicContact OE2-NZ 2.88Å; E207-K211 PolarHBondContact OE2-NZ 3.47Å; L209-K211 VanDerWaalsContact C-N 3.33Å; L209-K211 PolarHBondContact O-N 3.33Å
212G65.4Low65Low27 Ų2791.5 Ų91.528%0.27846%0.46SS..  trans-62.1141.9175.200000112.5D208 L209 I210 M220D208-G212 PolarHBondContact O-N 2.8Å; L209-G212 PolarHBondContact O-N 2.97Å; L209-G212 VanDerWaalsContact O-N 3.12Å; I210-G212 VanDerWaalsContact C-N 3.28Å; G212-M220 WeakPolarHBondContact O-CB 3.49Å; G212-M220 WeakPolarHBondContact O-CG 3.42Å; G212-M220 PolarHBondContact O-N 3.43Å
213V62.8Low64.3Low89 Ų8986.9 Ų86.954%0.53944%0.442SS..BIsolated β-bridgetrans-111.6131178.4-173.50000107.9G217 E218 R219V213-G217 WeakPolarHBondContact CG1-O 3.46Å; V213-E218 CarbonylContact C-O 3.57Å; V213-E218 WeakPolarHBondContact CA-O 3.18Å; V213-R219 HydrophobicContact CG2-CG 4.34Å
214T59.5Low64Low37 Ų3785.3 Ų85.323%0.22743%0.434CS..  trans-64.1165.7174.959.80000110.5N216 G217 E218 M220 L223T214-N216 PolarHBondContact O-N 3.02Å; T214-N216 PolarHBondContact OG1-N 2.97Å; T214-G217 PolarHBondContact O-N 2.97Å; T214-E218 PolarHBondContact N-O 2.99Å; T214-E218 PolarHBondContact OG1-N 3.29Å; T214-E218 PolarHBondContact OG1-O 3.23Å; T214-M220 HydrophobicContact CG2-CG 3.96Å; T214-M220 HydrophobicContact CG2-SD 3.21Å; T214-M220 WeakPolarHBondContact CG2-SD 3.43Å; T214-L223 HydrophobicContact CG2-CD1 3.58Å
215K60.2Low63.8Low219 Ų21988 Ų8895%0.95244%0.444SS*.THydrogen-bonded Turntrans-55.4-16.3173.3-65.2-177.3179.9178.80113.4
216N50.1Low63Low123 Ų12384.7 Ų84.766%0.65843%0.434SS*.THydrogen-bonded Turntrans-100.97.1-179.1-61.6-2.7000113.4T214T214-N216 PolarHBondContact O-N 3.02Å; T214-N216 PolarHBondContact OG1-N 2.97Å
217G61.8Low62.1Low56 Ų5683.5 Ų83.558%0.57743%0.432SS*.SBendtrans87.43174.700000115.3V213 T214V213-G217 WeakPolarHBondContact CG1-O 3.46Å; T214-G217 PolarHBondContact O-N 2.97Å
218E56.3Low61.9Low103 Ų10378 Ų7848%0.48141%0.407SS..  trans-90.1135.4-178.7-59.3179.3140.800110.8V213 T214 M220 L223V213-E218 CarbonylContact C-O 3.57Å; V213-E218 WeakPolarHBondContact CA-O 3.18Å; T214-E218 PolarHBondContact N-O 2.99Å; T214-E218 PolarHBondContact OG1-N 3.29Å; T214-E218 PolarHBondContact OG1-O 3.23Å; E218-M220 PolarHBondContact O-N 3.48Å; E218-L223 HydrophobicContact CB-CD1 3.95Å; E218-L223 HydrophobicContact CB-CG 4.41Å
219R67.9Low61.3Low156 Ų15675.1 Ų75.159%0.58939%0.393SS*.BIsolated β-bridgetrans-67.8124173.5-75.8-169.9-80.8-145.6-9.5109.3V213 G221 D222 L223V213-R219 HydrophobicContact CG2-CG 4.34Å; R219-G221 PolarHBondContact O-N 3.2Å; R219-G221 VanDerWaalsContact O-N 3.16Å; R219-D222 HydrophobicContact CB-CB 4.43Å; R219-D222 WeakPolarHBondContact CB-OD2 3.15Å; R219-D222 IonicContact NE-OD2 2.91Å; R219-D222 PolarHBondContact NE-OD2 2.92Å; R219-D222 WeakPolarHBondContact O-CB 3.29Å; R219-D222 PolarHBondContact O-N 3.44Å; R219-L223 PolarHBondContact O-N 2.9Å
220M61.8Low60.7Low58 Ų5875.9 Ų75.929%0.28640%0.403SS..Hα-helixtrans-54.9-34.8178.6-77.5-67.1-72.600112L209 G212 T214 E218 D222 L223 L224L209-M220 HydrophobicContact CD1-CE 4.49Å; L209-M220 WeakPolarHBondContact O-CB 3.22Å; G212-M220 WeakPolarHBondContact O-CB 3.49Å; G212-M220 WeakPolarHBondContact O-CG 3.42Å; G212-M220 PolarHBondContact O-N 3.43Å; T214-M220 HydrophobicContact CG2-CG 3.96Å; T214-M220 HydrophobicContact CG2-SD 3.21Å; T214-M220 WeakPolarHBondContact CG2-SD 3.43Å; E218-M220 PolarHBondContact O-N 3.48Å; M220-D222 VanDerWaalsContact C-N 3.27Å; M220-D222 PolarHBondContact O-N 2.85Å; M220-L223 PolarHBondContact O-N 3.4Å; M220-L223 HydrophobicContact SD-CD1 4.38Å; M220-L224 WeakPolarHBondContact O-CB 3.33Å; M220-L224 VanDerWaalsContact O-CG 3.3Å; M220-L224 WeakPolarHBondContact O-CG 3.47Å; M220-L224 PolarHBondContact O-N 3.48Å
221G63.4Low60.4Low1 Ų175.1 Ų75.11%0.0140%0.4CS..Hα-helixtrans-62.2-30174.300000114.9L204 I210 R219 K225L204-G221 WeakPolarHBondContact CD1-O 3.31Å; I210-G221 PolarHBondContact O-N 3.43Å; R219-G221 PolarHBondContact O-N 3.2Å; R219-G221 VanDerWaalsContact O-N 3.16Å; G221-K225 WeakPolarHBondContact O-CD 3.48Å; G221-K225 WeakPolarHBondContact O-CG 3.47Å; G221-K225 PolarHBondContact O-N 3.18Å
222D57.3Low59.9Low69 Ų6969.6 Ų69.637%0.36938%0.376SS..Hα-helixtrans-82.5-37.4180-63.4-29.5000110.4R219 M220 K225 N226R219-D222 HydrophobicContact CB-CB 4.43Å; R219-D222 WeakPolarHBondContact CB-OD2 3.15Å; R219-D222 IonicContact NE-OD2 2.91Å; R219-D222 PolarHBondContact NE-OD2 2.92Å; R219-D222 WeakPolarHBondContact O-CB 3.29Å; R219-D222 PolarHBondContact O-N 3.44Å; M220-D222 VanDerWaalsContact C-N 3.27Å; M220-D222 PolarHBondContact O-N 2.85Å; D222-K225 PolarHBondContact O-N 3.21Å; D222-N226 WeakPolarHBondContact O-CB 3.37Å; D222-N226 PolarHBondContact O-N 3.49Å; D222-N226 PolarHBondContact O-ND2 3.33Å; D222-N226 PolarHBondContact O-OD1 2.84Å
223L62.6Low59.1Low55 Ų5574.6 Ų74.629%0.28839%0.392SS..Hα-helixtrans-60.5-47.9171-84.3160.9000112.6T214 E218 R219 M220 K225 N226 C227T214-L223 HydrophobicContact CG2-CD1 3.58Å; E218-L223 HydrophobicContact CB-CD1 3.95Å; E218-L223 HydrophobicContact CB-CG 4.41Å; R219-L223 PolarHBondContact O-N 2.9Å; M220-L223 PolarHBondContact O-N 3.4Å; M220-L223 HydrophobicContact SD-CD1 4.38Å; L223-K225 VanDerWaalsContact C-N 3.32Å; L223-K225 PolarHBondContact O-N 3.32Å; L223-N226 WeakPolarHBondContact O-CB 3.31Å; L223-N226 PolarHBondContact O-N 3.35Å; L223-C227 PolarHBondContact O-N 3.06Å; L223-C227 PolarHBondContact O-SG 3.29Å; L223-C227 VanDerWaalsContact O-SG 3.32Å
224L62.6Low58.5Low15 Ų1573.3 Ų73.38%0.07939%0.386CS..Hα-helixtrans-61.5-41.2178.5-73.1169.7000111.7L200 L203 L204 L209 M220 I228L200-L224 HydrophobicContact CD2-CD2 3.52Å; L203-L224 HydrophobicContact CB-CD1 3.93Å; L203-L224 HydrophobicContact CB-CD2 4.05Å; L203-L224 HydrophobicContact CD1-CD2 4.38Å; L204-L224 HydrophobicContact CD1-CB 3.58Å; L204-L224 HydrophobicContact CD1-CD1 4.39Å; L209-L224 HydrophobicContact CD2-CD1 4.23Å; M220-L224 WeakPolarHBondContact O-CB 3.33Å; M220-L224 VanDerWaalsContact O-CG 3.3Å; M220-L224 WeakPolarHBondContact O-CG 3.47Å; M220-L224 PolarHBondContact O-N 3.48Å; L224-I228 VanDerWaalsContact O-CD1 3.32Å; L224-I228 WeakPolarHBondContact O-CD1 3.33Å; L224-I228 VanDerWaalsContact O-CG1 3.26Å; L224-I228 WeakPolarHBondContact O-CG1 3.22Å; L224-I228 PolarHBondContact O-N 3.26Å
225K66.5Low58Low101 Ų10171.6 Ų71.644%0.43938%0.376SS..Hα-helixtrans-61.5-45.5174.3-79.2167.9-167.5161.30111.3L204 G221 D222 L223 C227 I228 T229L204-K225 HydrophobicContact CD1-CD 4.42Å; L204-K225 HydrophobicContact CD1-CG 3.67Å; L204-K225 HydrophobicContact CD2-CG 3.68Å; L204-K225 HydrophobicContact CG-CG 4.29Å; G221-K225 WeakPolarHBondContact O-CD 3.48Å; G221-K225 WeakPolarHBondContact O-CG 3.47Å; G221-K225 PolarHBondContact O-N 3.18Å; D222-K225 PolarHBondContact O-N 3.21Å; L223-K225 VanDerWaalsContact C-N 3.32Å; L223-K225 PolarHBondContact O-N 3.32Å; K225-C227 PolarHBondContact O-N 3.44Å; K225-I228 PolarHBondContact O-N 2.79Å; K225-T229 PolarHBondContact O-N 3.13Å; K225-T229 PolarHBondContact O-OG1 2.93Å
226N55.6Low57.3Low98 Ų9863.7 Ų63.752%0.52434%0.344SS..Hα-helixtrans-59.1-47.1-179.4-70.5-12.4000111.6D222 L223 I228 T229 S230D222-N226 WeakPolarHBondContact O-CB 3.37Å; D222-N226 PolarHBondContact O-N 3.49Å; D222-N226 PolarHBondContact O-ND2 3.33Å; D222-N226 PolarHBondContact O-OD1 2.84Å; L223-N226 WeakPolarHBondContact O-CB 3.31Å; L223-N226 PolarHBondContact O-N 3.35Å; N226-I228 VanDerWaalsContact C-N 3.32Å; N226-I228 PolarHBondContact O-N 2.84Å; N226-T229 VanDerWaalsContact CA-OG1 3.29Å; N226-T229 WeakPolarHBondContact CA-OG1 3.35Å; N226-T229 PolarHBondContact O-N 3.16Å; N226-T229 VanDerWaalsContact O-N 3.16Å; N226-T229 PolarHBondContact O-OG1 2.8Å; N226-S230 PolarHBondContact O-N 2.62Å; N226-S230 PolarHBondContact O-OG 2.91Å
227C57.5Low57Low57 Ų5763 Ų6339%0.38534%0.336SS..Hα-helixtrans-59.3-41.3176.2-64.80000112.5L200 L223 K225 S230 L231L200-C227 HydrophobicContact CD1-CB 3.81Å; L223-C227 PolarHBondContact O-N 3.06Å; L223-C227 PolarHBondContact O-SG 3.29Å; L223-C227 VanDerWaalsContact O-SG 3.32Å; K225-C227 PolarHBondContact O-N 3.44Å; C227-S230 PolarHBondContact O-N 3.21Å; C227-L231 WeakPolarHBondContact O-CG 3.42Å; C227-L231 PolarHBondContact O-N 3.33Å; C227-L231 VanDerWaalsContact O-N 3.11Å
228I65.6Low56Low13 Ų1366 Ų667%0.06733%0.33CS..Hα-helixtrans-66.1-40.2177.1-65.3159.7000111K197 L200 E201 L204 L224 K225 N226 L231 N232K197-I228 HydrophobicContact CG-CG2 4.35Å; L200-I228 HydrophobicContact CB-CD1 4Å; L200-I228 HydrophobicContact CB-CG1 3.62Å; E201-I228 HydrophobicContact CB-CD1 4.38Å; E201-I228 HydrophobicContact CG-CD1 3.72Å; E201-I228 HydrophobicContact CG-CG1 4.1Å; E201-I228 HydrophobicContact CG-CG2 4.05Å; L204-I228 HydrophobicContact CB-CD1 4.43Å; L204-I228 HydrophobicContact CD2-CD1 4.17Å; L224-I228 VanDerWaalsContact O-CD1 3.32Å; L224-I228 WeakPolarHBondContact O-CD1 3.33Å; L224-I228 VanDerWaalsContact O-CG1 3.26Å; L224-I228 WeakPolarHBondContact O-CG1 3.22Å; L224-I228 PolarHBondContact O-N 3.26Å; K225-I228 PolarHBondContact O-N 2.79Å; N226-I228 VanDerWaalsContact C-N 3.32Å; N226-I228 PolarHBondContact O-N 2.84Å; I228-L231 PolarHBondContact O-N 3.37Å; I228-N232 PolarHBondContact O-N 3.47Å; I228-N232 PolarHBondContact O-ND2 3.32Å
229T57.6Low55.5Low69 Ų6963 Ų6342%0.42332%0.321SS..Hα-helixtrans-64.9-42.2175.318.90000112.6K225 N226 L231 N232 H233K225-T229 PolarHBondContact O-N 3.13Å; K225-T229 PolarHBondContact O-OG1 2.93Å; N226-T229 VanDerWaalsContact CA-OG1 3.29Å; N226-T229 WeakPolarHBondContact CA-OG1 3.35Å; N226-T229 PolarHBondContact O-N 3.16Å; N226-T229 VanDerWaalsContact O-N 3.16Å; N226-T229 PolarHBondContact O-OG1 2.8Å; T229-L231 VanDerWaalsContact C-N 3.32Å; T229-L231 PolarHBondContact O-N 3.45Å; T229-N232 WeakPolarHBondContact O-CA 3.3Å; T229-N232 WeakPolarHBondContact O-CB 3.45Å; T229-N232 PolarHBondContact O-N 3.43Å; T229-H233 PolarHBondContact O-CD2 3.31Å; T229-H233 PolarHBondContact O-N 3.22Å
230S51.8Low54.5Low73 Ų7362.9 Ų62.951%0.5133%0.326SS..Hα-helixtrans-61.2-41.8176.4-570000111.8N226 C227 N232 H233 C234N226-S230 PolarHBondContact O-N 2.62Å; N226-S230 PolarHBondContact O-OG 2.91Å; C227-S230 PolarHBondContact O-N 3.21Å; S230-N232 VanDerWaalsContact C-N 3.3Å; S230-N232 PolarHBondContact O-N 2.98Å; S230-H233 PolarHBondContact O-N 2.92Å; S230-C234 PolarHBondContact O-N 2.91Å; S230-C234 PolarHBondContact O-SG 3.42Å; S230-C234 VanDerWaalsContact O-SG 3.35Å
231L56.9Low53.4Low27 Ų2766 Ų6614%0.14134%0.34CS..Hα-helixtrans-64.1-34.1173.7-70.8171.3000112.5L190 F193 K197 L200 C227 I228 T229 A235L190-L231 WeakPolarHBondContact CD1-O 3.46Å; L190-L231 VanDerWaalsContact CD2-O 3.28Å; L190-L231 WeakPolarHBondContact CD2-O 3.45Å; F193-L231 HydrophobicContact CB-CD2 3.99Å; K197-L231 HydrophobicContact CB-CD1 3.84Å; K197-L231 HydrophobicContact CG-CB 4.45Å; K197-L231 HydrophobicContact CG-CD1 4.38Å; L200-L231 HydrophobicContact CD1-CD1 3.87Å; C227-L231 WeakPolarHBondContact O-CG 3.42Å; C227-L231 PolarHBondContact O-N 3.33Å; C227-L231 VanDerWaalsContact O-N 3.11Å; I228-L231 PolarHBondContact O-N 3.37Å; T229-L231 VanDerWaalsContact C-N 3.32Å; T229-L231 PolarHBondContact O-N 3.45Å; L231-A235 PolarHBondContact O-N 3.1Å
232N55.5Low52.4Low15 Ų1573.4 Ų73.48%0.0837%0.372CS..Hα-helixtrans-67.2-39.9173.2-75.6-58.9000112.2K197 I228 T229 S230 A235 D236K197-N232 WeakPolarHBondContact CE-OD1 3.42Å; K197-N232 PolarHBondContact NZ-OD1 3.33Å; I228-N232 PolarHBondContact O-N 3.47Å; I228-N232 PolarHBondContact O-ND2 3.32Å; T229-N232 WeakPolarHBondContact O-CA 3.3Å; T229-N232 WeakPolarHBondContact O-CB 3.45Å; T229-N232 PolarHBondContact O-N 3.43Å; S230-N232 VanDerWaalsContact C-N 3.3Å; S230-N232 PolarHBondContact O-N 2.98Å; N232-A235 WeakPolarHBondContact O-CB 3.48Å; N232-A235 PolarHBondContact O-N 3.41Å; N232-A235 VanDerWaalsContact O-N 3.13Å; N232-D236 PolarHBondContact O-N 3.1Å
233H47.5Very low51.6Low133 Ų13375.1 Ų75.162%0.61639%0.387SS*.Hα-helixtrans-65.8-38178-80.6-130.5000112.2T229 S230 A235 D236 F237T229-H233 PolarHBondContact O-CD2 3.31Å; T229-H233 PolarHBondContact O-N 3.22Å; S230-H233 PolarHBondContact O-N 2.92Å; H233-A235 VanDerWaalsContact C-N 3.3Å; H233-A235 PolarHBondContact O-N 3.11Å; H233-D236 PolarHBondContact O-N 3.05Å; H233-F237 WeakPolarHBondContact O-CB 3.4Å; H233-F237 PolarHBondContact O-N 3.29Å
234C49.5Very low50.5Low61 Ų6179.1 Ų79.141%0.41241%0.407SS..Hα-helixtrans-61.4-40171.4-65.40000111.4L190 S230 D236 F237 W238L190-C234 HydrophobicContact CD2-CB 3.97Å; S230-C234 PolarHBondContact O-N 2.91Å; S230-C234 PolarHBondContact O-SG 3.42Å; S230-C234 VanDerWaalsContact O-SG 3.35Å; C234-D236 VanDerWaalsContact C-N 3.33Å; C234-D236 PolarHBondContact O-N 3.39Å; C234-F237 WeakPolarHBondContact O-CB 3.32Å; C234-F237 PolarHBondContact O-N 2.89Å; C234-W238 PolarHBondContact O-N 3.08Å; C234-W238 VanDerWaalsContact O-N 3.14Å
235A49.3Very low48.9Very low2 Ų283.2 Ų83.22%0.01744%0.437CS..Hα-helixtrans-64.7-39.3176.600000112.1T186 L189 L190 L231 N232 H233 S239T186-A235 HydrophobicContact CG2-CB 3.36Å; L189-A235 WeakPolarHBondContact CD1-O 3.25Å; L190-A235 HydrophobicContact CD1-CB 3.99Å; L190-A235 HydrophobicContact CD2-CB 3.85Å; L190-A235 HydrophobicContact CG-CB 3.71Å; L231-A235 PolarHBondContact O-N 3.1Å; N232-A235 WeakPolarHBondContact O-CB 3.48Å; N232-A235 PolarHBondContact O-N 3.41Å; N232-A235 VanDerWaalsContact O-N 3.13Å; H233-A235 VanDerWaalsContact C-N 3.3Å; H233-A235 PolarHBondContact O-N 3.11Å; A235-S239 PolarHBondContact O-N 3.41Å; A235-S239 VanDerWaalsContact O-N 3.12Å
236D46.8Very low47.4Very low52 Ų5284.2 Ų84.228%0.27845%0.454SS..Hα-helixtrans-66.1-41.9176.4-75.4-35.6000111.8Y182 N232 H233 C234 S239 Q240Y182-D236 WeakPolarHBondContact CE2-OD1 3.32Å; Y182-D236 PolarHBondContact OH-OD1 3.07Å; Y182-D236 PolarHBondContact OH-OD2 3.34Å; Y182-D236 VanDerWaalsContact OH-OD2 3.11Å; N232-D236 PolarHBondContact O-N 3.1Å; H233-D236 PolarHBondContact O-N 3.05Å; C234-D236 VanDerWaalsContact C-N 3.33Å; C234-D236 PolarHBondContact O-N 3.39Å; D236-S239 WeakPolarHBondContact O-CB 3.44Å; D236-S239 PolarHBondContact O-N 3.37Å; D236-S239 PolarHBondContact O-OG 2.91Å; D236-Q240 WeakPolarHBondContact O-CG 3.08Å; D236-Q240 PolarHBondContact O-N 3.36Å
237F43.5Very low46.2Very low110 Ų11088.9 Ų88.948%0.48247%0.47SS..Hα-helixtrans-55.8-51.1174.6174.2-95000112.3H233 C234 S239 Q240 E241H233-F237 WeakPolarHBondContact O-CB 3.4Å; H233-F237 PolarHBondContact O-N 3.29Å; C234-F237 WeakPolarHBondContact O-CB 3.32Å; C234-F237 PolarHBondContact O-N 2.89Å; F237-S239 VanDerWaalsContact C-N 3.28Å; F237-S239 PolarHBondContact O-N 3.38Å; F237-Q240 PolarHBondContact O-N 3.34Å; F237-Q240 VanDerWaalsContact O-N 3.16Å; F237-E241 PolarHBondContact O-N 3.26Å
238W40.5Very low44.6Very low117 Ų11794.8 Ų94.844%0.44349%0.492SS..Hα-helixtrans-67.7-27.1178.2-71.3113.8000113.4L189 C234 Q240 K242L189-W238 HydrophobicContact CB-CB 4.01Å; L189-W238 HydrophobicContact CD1-CB 4.49Å; L189-W238 HydrophobicContact CD2-CB 3.81Å; L189-W238 HydrophobicContact CG-CB 4.31Å; C234-W238 PolarHBondContact O-N 3.08Å; C234-W238 VanDerWaalsContact O-N 3.14Å; W238-Q240 VanDerWaalsContact C-N 3.26Å; W238-Q240 PolarHBondContact O-N 3.5Å; W238-K242 PolarHBondContact O-N 2.82Å
239S46.1Very low43.1Very low42 Ų42101.4 Ų101.429%0.29453%0.533SS..Hα-helixtrans-70.1-25.2175.581.80000113A235 D236 F237A235-S239 PolarHBondContact O-N 3.41Å; A235-S239 VanDerWaalsContact O-N 3.12Å; D236-S239 WeakPolarHBondContact O-CB 3.44Å; D236-S239 PolarHBondContact O-N 3.37Å; D236-S239 PolarHBondContact O-OG 2.91Å; F237-S239 VanDerWaalsContact C-N 3.28Å; F237-S239 PolarHBondContact O-N 3.38Å
240Q45.7Very low41.6Very low152 Ų152102.6 Ų102.671%0.7154%0.544SS*.Hα-helixtrans-88.9-33.1-179.3-68.6176.817.700112.5D236 F237 W238 K242D236-Q240 WeakPolarHBondContact O-CG 3.08Å; D236-Q240 PolarHBondContact O-N 3.36Å; F237-Q240 PolarHBondContact O-N 3.34Å; F237-Q240 VanDerWaalsContact O-N 3.16Å; W238-Q240 VanDerWaalsContact C-N 3.26Å; W238-Q240 PolarHBondContact O-N 3.5Å; Q240-K242 VanDerWaalsContact C-N 3.32Å
241E39.4Very low40.7Very low124 Ų124110.6 Ų110.658%0.57956%0.563SS**Hα-helixtrans-69.3-27.1173.1-83.6-151.8139.200113.5F237F237-E241 PolarHBondContact O-N 3.26Å
242K42.8Very low39.6Very low156 Ų156118.8 Ų118.868%0.67860%0.6SS**SBendtrans-130.281.4175.6-68-175.8-178.1177.40111.3W238 Q240 I244W238-K242 PolarHBondContact O-N 2.82Å; Q240-K242 VanDerWaalsContact C-N 3.32Å; K242-I244 PolarHBondContact O-N 2.99Å; K242-I244 VanDerWaalsContact O-N 3.07Å
243P39.7Very low38.4Very low105 Ų105123 Ų12368%0.68263%0.631SS**  trans-67.7111.617626-30.6000109.6S245P243-S245 PolarHBondContact O-N 2.93Å; P243-S245 VanDerWaalsContact O-N 3.08Å
244I40.4Very low37.8Very low139 Ų139125.8 Ų125.871%0.71364%0.642SS**  trans-68.8107175.7-55.5168.8000107.9T185 K242T185-I244 HydrophobicContact CG2-CD1 4.39Å; K242-I244 PolarHBondContact O-N 2.99Å; K242-I244 VanDerWaalsContact O-N 3.07Å
245S28.6Very low36.9Very low101 Ų101128.6 Ų128.671%0.70666%0.659SS**  trans-71.1144.2176.452.50000111.7P243 K247P243-S245 PolarHBondContact O-N 2.93Å; P243-S245 VanDerWaalsContact O-N 3.08Å; S245-K247 PolarHBondContact O-N 3.26Å
246P35.7Very low36.1Very low123 Ų123133.9 Ų133.980%0.79969%0.693SS**  trans-88.9111.7-174.431.5-30000112.7
247K29.7Very low35.6Very low196 Ų196140.6 Ų140.685%0.85272%0.72SS**  trans141.3119.7152.3-81.3166.8179.9-178.80106.9S245S245-K247 PolarHBondContact O-N 3.26Å
248E24.2Very low35.1Very low181 Ų181138.5 Ų138.585%0.84672%0.717SS**  -134.3134.561.6-69.6173.1148.200113.2S250E248-S250 PolarHBondContact O-N 3.26Å
249T33.9Very low35.2Very low151 Ų151136.5 Ų136.593%0.92672%0.721SS**  trans-5986.5151.122.50000109.3
250S27Very low35.2Very low94 Ų94140.3 Ų140.366%0.65774%0.738SS**  trans-99.3126.1149.5760000107.3E248 Q252E248-S250 PolarHBondContact O-N 3.26Å; S250-Q252 PolarHBondContact O-N 3.17Å; S250-Q252 VanDerWaalsContact O-N 3.08Å
251R32.9Very low35.8Very low242 Ų242136.6 Ų136.691%0.91372%0.723SS**  trans-50.7118.9177.4-72.3169.5171.5166.6-3.8108.1S253R251-S253 VanDerWaalsContact C-N 3.34Å; R251-S253 PolarHBondContact O-N 3.29Å
252Q32.7Very low37Very low198 Ų198133.7 Ų133.793%0.92571%0.714SS**  trans-59.596.7170.5-75.5-179-11.100109.1S250S250-Q252 PolarHBondContact O-N 3.17Å; S250-Q252 VanDerWaalsContact O-N 3.08Å
253S31.6Very low38.3Very low104 Ų104133.8 Ų133.873%0.72771%0.71SS**  trans-66.8141.2142.653.10000107.4R251R251-S253 VanDerWaalsContact C-N 3.34Å; R251-S253 PolarHBondContact O-N 3.29Å
254K34Very low39.9Very low192 Ų192132.1 Ų132.184%0.83569%0.692SS**  trans-35.5143.1175-66.5174.5178.9177.10111.6P256K254-P256 VanDerWaalsContact O-N 3.14Å
255P29.6Very low41.3Very low119 Ų119127.7 Ų127.777%0.77368%0.676SS**  trans-54.5125.9-176.424.6-32.8000108.4K257P255-K257 PolarHBondContact O-N 2.79Å
256P33.7Very low43.5Very low114 Ų114128.8 Ų128.874%0.7467%0.67SS**  trans-61.3138.5169.927.5-29.2000105.9K254K254-P256 VanDerWaalsContact O-N 3.14Å
257K35.8Very low45.9Very low192 Ų192127 Ų12784%0.83565%0.648SS**  trans-45.1136.1166.1-68.4175.6178.1177.50107.2P255 S259P255-K257 PolarHBondContact O-N 2.79Å; K257-S259 PolarHBondContact O-N 2.94Å; K257-S259 VanDerWaalsContact O-N 3.07Å
258P33.6Very low48.3Very low66 Ų66118.3 Ų118.343%0.42961%0.611SS.*  trans-48.9124.5-173.318.7-31.3000108.4R263P258-R263 HydrophobicContact CB-CG 4.45Å; P258-R263 HydrophobicContact CG-CG 4.29Å
259S41.9Very low50.8Low75 Ų75114.7 Ų114.752%0.52460%0.596SS.*  trans-54.7145.5177.163.60000107.7K257 N261 T262K257-S259 PolarHBondContact O-N 2.94Å; K257-S259 VanDerWaalsContact O-N 3.07Å; S259-N261 PolarHBondContact O-N 3.24Å; S259-T262 PolarHBondContact O-N 3.31Å
260L46.7Very low53.1Low122 Ų122113.7 Ų113.764%0.63958%0.579SS**Hα-helixtrans-48.4-29.7-174.8-146.179.8000112.4R263 K264L260-R263 PolarHBondContact O-N 3.48Å; L260-K264 WeakPolarHBondContact O-CG 3.42Å; L260-K264 PolarHBondContact O-N 3.44Å; L260-K264 VanDerWaalsContact O-N 3.13Å
261N57.4Low55.9Low74 Ų74109.3 Ų109.340%0.39655%0.548SS..Hα-helixtrans-68.5-34.1179.1-71.13.6000114.1S259 A265S259-N261 PolarHBondContact O-N 3.24Å; N261-A265 WeakPolarHBondContact O-CB 3.36Å; N261-A265 PolarHBondContact O-N 2.87Å
262T64.1Low58.1Low64 Ų6499.7 Ų99.739%0.39351%0.513SS..Hα-helixtrans-71.2-36.6176.9-49.40000111.9S259 Q266S259-T262 PolarHBondContact O-N 3.31Å; T262-Q266 WeakPolarHBondContact O-CB 3.39Å; T262-Q266 VanDerWaalsContact O-CG 3.27Å; T262-Q266 WeakPolarHBondContact O-CG 3.21Å; T262-Q266 PolarHBondContact O-N 3.27Å; T262-Q266 VanDerWaalsContact O-N 3.09Å
263R70.1Confident60.3Low157 Ų15794.6 Ų94.659%0.59249%0.492SS*.Hα-helixtrans-71.1-40.2177.4-76.7-175.8175.9-178-0.6112.3P258 L260 Q266 Y267P258-R263 HydrophobicContact CB-CG 4.45Å; P258-R263 HydrophobicContact CG-CG 4.29Å; L260-R263 PolarHBondContact O-N 3.48Å; R263-Q266 PolarHBondContact O-N 3.02Å; R263-Y267 WeakPolarHBondContact O-CB 3.35Å; R263-Y267 PolarHBondContact O-N 3.07Å
264K73.4Confident62.8Low70 Ų7092 Ų9230%0.30447%0.468SS..Hα-helixtrans-63.5-45.3175.3-73.8176.1172-170.30111.3L260 Q266 Y267 L268 L301L260-K264 WeakPolarHBondContact O-CG 3.42Å; L260-K264 PolarHBondContact O-N 3.44Å; L260-K264 VanDerWaalsContact O-N 3.13Å; K264-Q266 PolarHBondContact O-N 3.42Å; K264-Y267 WeakPolarHBondContact O-CB 3.31Å; K264-Y267 PolarHBondContact O-N 2.62Å; K264-Y267 VanDerWaalsContact O-N 3.17Å; K264-L268 WeakPolarHBondContact O-CG 3.41Å; K264-L268 PolarHBondContact O-N 3.26Å; K264-L301 HydrophobicContact CD-CD2 3.89Å
265A69.6Low65Low46 Ų4682.9 Ų82.938%0.3843%0.429SS..Hα-helixtrans-60.2-43.7175.300000112.6N261 Y267 L268 I269N261-A265 WeakPolarHBondContact O-CB 3.36Å; N261-A265 PolarHBondContact O-N 2.87Å; A265-Y267 VanDerWaalsContact C-N 3.31Å; A265-Y267 PolarHBondContact O-N 3.01Å; A265-L268 PolarHBondContact O-N 3.07Å; A265-I269 WeakPolarHBondContact O-CG1 3.3Å; A265-I269 PolarHBondContact O-N 3.45Å; A265-I269 VanDerWaalsContact O-N 3.08Å
266Q76.4Confident67.1Low124 Ų12480 Ų8058%0.57941%0.411SS*.Hα-helixtrans-62.2-37.4174.8-75.7172.4-7.500112.8T262 R263 K264 K270T262-Q266 WeakPolarHBondContact O-CB 3.39Å; T262-Q266 VanDerWaalsContact O-CG 3.27Å; T262-Q266 WeakPolarHBondContact O-CG 3.21Å; T262-Q266 PolarHBondContact O-N 3.27Å; T262-Q266 VanDerWaalsContact O-N 3.09Å; R263-Q266 PolarHBondContact O-N 3.02Å; K264-Q266 PolarHBondContact O-N 3.42Å; Q266-K270 WeakPolarHBondContact O-CB 3.42Å; Q266-K270 PolarHBondContact O-N 3.24Å; Q266-K270 VanDerWaalsContact O-N 3.16Å
267Y84.6Confident69.2Low86 Ų8681.5 Ų81.534%0.33740%0.402SS..Hα-helixtrans-65.2-42.8174.8171.1-94.5000112R263 K264 A265 S271 V294 T297R263-Y267 WeakPolarHBondContact O-CB 3.35Å; R263-Y267 PolarHBondContact O-N 3.07Å; K264-Y267 WeakPolarHBondContact O-CB 3.31Å; K264-Y267 PolarHBondContact O-N 2.62Å; K264-Y267 VanDerWaalsContact O-N 3.17Å; A265-Y267 VanDerWaalsContact C-N 3.31Å; A265-Y267 PolarHBondContact O-N 3.01Å; Y267-S271 VanDerWaalsContact O-CB 3.26Å; Y267-S271 WeakPolarHBondContact O-CB 3.09Å; Y267-S271 PolarHBondContact O-N 3.4Å; Y267-S271 PolarHBondContact O-OG 3.28Å; Y267-V294 HydrophobicContact CE1-CG2 4.48Å; Y267-T297 HydrophobicContact CD1-CG2 4.36Å; Y267-T297 HydrophobicContact CE1-CG2 4.14Å
268L80.5Confident71.2Confident14 Ų1473.7 Ų73.77%0.07337%0.372CS..Hα-helixtrans-62.2-50.6178.6-68.8174.7000111.4K264 A265 K270 S271 F272 V294 V298 L301 I312K264-L268 WeakPolarHBondContact O-CG 3.41Å; K264-L268 PolarHBondContact O-N 3.26Å; A265-L268 PolarHBondContact O-N 3.07Å; L268-K270 VanDerWaalsContact C-N 3.35Å; L268-K270 PolarHBondContact O-N 3.35Å; L268-S271 PolarHBondContact O-N 3.02Å; L268-F272 HydrophobicContact CB-CE2 4.26Å; L268-F272 HydrophobicContact CB-CZ 4.37Å; L268-F272 WeakPolarHBondContact O-CD2 3.41Å; L268-F272 WeakPolarHBondContact O-CG 3.45Å; L268-F272 PolarHBondContact O-N 2.99Å; L268-V294 HydrophobicContact CD2-CG1 3.7Å; L268-V298 HydrophobicContact CD2-CG2 3.64Å; L268-L301 HydrophobicContact CD1-CD1 4.49Å; L268-I312 HydrophobicContact CD1-CD1 4.4Å
269I76.6Confident73Confident104 Ų10472.1 Ų72.153%0.53336%0.36SS..Hα-helixtrans-56.5-49.8178.5-65.2166.2000110.8A265 S271 F272 D273A265-I269 WeakPolarHBondContact O-CG1 3.3Å; A265-I269 PolarHBondContact O-N 3.45Å; A265-I269 VanDerWaalsContact O-N 3.08Å; I269-S271 VanDerWaalsContact C-N 3.25Å; I269-S271 PolarHBondContact O-N 3.2Å; I269-F272 PolarHBondContact O-N 3.07Å; I269-D273 PolarHBondContact O-N 2.91Å; I269-D273 VanDerWaalsContact O-N 3.11Å
270K83.3Confident74.2Confident131 Ų13172 Ų7257%0.5736%0.363SS*.Hα-helixtrans-61.8-36.7178.5-172.4-178.7-179.6-163.20112.1Q266 L268 D273 E274Q266-K270 WeakPolarHBondContact O-CB 3.42Å; Q266-K270 PolarHBondContact O-N 3.24Å; Q266-K270 VanDerWaalsContact O-N 3.16Å; L268-K270 VanDerWaalsContact C-N 3.35Å; L268-K270 PolarHBondContact O-N 3.35Å; K270-D273 PolarHBondContact O-N 3.06Å; K270-E274 WeakPolarHBondContact CE-OE1 3.19Å; K270-E274 IonicContact NZ-OE1 3.76Å; K270-E274 WeakPolarHBondContact O-CG 3.5Å; K270-E274 PolarHBondContact O-N 2.89Å
271S85.8Confident75.6Confident1 Ų169.9 Ų69.91%0.00736%0.363CS..Hα-helixtrans-72-35.9-179.9-58.80000111.9Y267 L268 I269 E274 I275 K290Y267-S271 VanDerWaalsContact O-CB 3.26Å; Y267-S271 WeakPolarHBondContact O-CB 3.09Å; Y267-S271 PolarHBondContact O-N 3.4Å; Y267-S271 PolarHBondContact O-OG 3.28Å; L268-S271 PolarHBondContact O-N 3.02Å; I269-S271 VanDerWaalsContact C-N 3.25Å; I269-S271 PolarHBondContact O-N 3.2Å; S271-E274 PolarHBondContact O-N 3.21Å; S271-I275 WeakPolarHBondContact O-CD1 3.47Å; S271-I275 WeakPolarHBondContact O-CG1 3.43Å; S271-I275 PolarHBondContact O-N 2.96Å; S271-K290 WeakPolarHBondContact OG-CE 3.24Å; S271-K290 PolarHBondContact OG-NZ 3.41Å
272F78.9Confident76.5Confident41 Ų4168.9 Ų68.918%0.1837%0.371CS..Hα-helixtrans-61.8-46.4171.4-60.6-34.4000111.4L268 I269 E274 I275 S276 V294 I312 F315 L316L268-F272 HydrophobicContact CB-CE2 4.26Å; L268-F272 HydrophobicContact CB-CZ 4.37Å; L268-F272 WeakPolarHBondContact O-CD2 3.41Å; L268-F272 WeakPolarHBondContact O-CG 3.45Å; L268-F272 PolarHBondContact O-N 2.99Å; I269-F272 PolarHBondContact O-N 3.07Å; F272-E274 PolarHBondContact O-N 2.99Å; F272-I275 PolarHBondContact O-N 3.03Å; F272-I275 VanDerWaalsContact O-N 3.16Å; F272-S276 PolarHBondContact O-N 3.3Å; F272-S276 PolarHBondContact O-OG 3.28Å; F272-V294 HydrophobicContact CE1-CG1 4.12Å; F272-I312 HydrophobicContact CE1-CG2 4.26Å; F272-I312 HydrophobicContact CZ-CG1 4.3Å; F272-I312 HydrophobicContact CZ-CG2 3.7Å; F272-F315 HydrophobicContact CB-CE1 4.17Å; F272-F315 AromaticContact CD1-CD1 3.84Å; F272-F315 HydrophobicContact CD1-CD1 3.84Å; F272-F315 AromaticContact CD1-CE1 3.56Å; F272-F315 HydrophobicContact CD1-CE1 3.56Å; F272-F315 AromaticContact CE1-CD1 3.91Å; F272-F315 HydrophobicContact CE1-CD1 3.91Å; F272-F315 HydrophobicContact CE1-CE1 4.13Å; F272-F315 HydrophobicContact CG-CD1 4.43Å; F272-F315 AromaticContact CG-CE1 3.96Å; F272-F315 HydrophobicContact CG-CE1 3.96Å; F272-L316 HydrophobicContact CD1-CD2 4.43Å; F272-L316 HydrophobicContact CE1-CD2 3.93Å; F272-L316 HydrophobicContact CE1-CG 4.28Å
273D78.1Confident77.5Confident91 Ų9169.8 Ų69.849%0.48737%0.373SS..Hα-helixtrans-59.5-36.2175.3-74-10.3000112.4I269 K270 R277I269-D273 PolarHBondContact O-N 2.91Å; I269-D273 VanDerWaalsContact O-N 3.11Å; K270-D273 PolarHBondContact O-N 3.06Å; D273-R277 VanDerWaalsContact O-CB 3.25Å; D273-R277 WeakPolarHBondContact O-CB 3.18Å; D273-R277 PolarHBondContact O-N 3.23Å; D273-R277 VanDerWaalsContact O-N 3.15Å; D273-R277 PolarHBondContact O-NH1 3.37Å; D273-R277 PolarHBondContact O-NH2 3.23Å
274E84.1Confident78.1Confident49 Ų4963.3 Ų63.323%0.22935%0.351CS..Hα-helixtrans-67.7-46.1174.8-75.8171.3-168.600112K270 S271 F272 R277 S278 K290K270-E274 WeakPolarHBondContact CE-OE1 3.19Å; K270-E274 IonicContact NZ-OE1 3.76Å; K270-E274 WeakPolarHBondContact O-CG 3.5Å; K270-E274 PolarHBondContact O-N 2.89Å; S271-E274 PolarHBondContact O-N 3.21Å; F272-E274 PolarHBondContact O-N 2.99Å; E274-R277 PolarHBondContact O-N 3.17Å; E274-S278 WeakPolarHBondContact O-CB 3.49Å; E274-S278 PolarHBondContact O-N 2.71Å; E274-S278 PolarHBondContact O-OG 3.06Å; E274-K290 HydrophobicContact CB-CG 4.5Å; E274-K290 WeakPolarHBondContact OE2-CE 3.35Å; E274-K290 IonicContact OE2-NZ 3.67Å; E274-K290 PolarHBondContact OE2-NZ 3.01Å
275I79.8Confident78.8Confident0 Ų067.4 Ų67.40%037%0.369CS..Hα-helixtrans-60.1-52.1177.5-68.6161.9000110.3S271 F272 R277 S278 L279 K290 T291 V294 L316 C319S271-I275 WeakPolarHBondContact O-CD1 3.47Å; S271-I275 WeakPolarHBondContact O-CG1 3.43Å; S271-I275 PolarHBondContact O-N 2.96Å; F272-I275 PolarHBondContact O-N 3.03Å; F272-I275 VanDerWaalsContact O-N 3.16Å; I275-R277 VanDerWaalsContact C-N 3.3Å; I275-R277 PolarHBondContact O-N 3.15Å; I275-S278 PolarHBondContact O-N 3.29Å; I275-S278 VanDerWaalsContact O-N 3.1Å; I275-L279 HydrophobicContact CG2-CD1 4.09Å; I275-L279 PolarHBondContact O-N 2.93Å; I275-K290 HydrophobicContact CD1-CG 4.26Å; I275-K290 HydrophobicContact CG1-CB 3.98Å; I275-K290 HydrophobicContact CG1-CG 3.66Å; I275-T291 HydrophobicContact CD1-CG2 4.46Å; I275-T291 WeakPolarHBondContact CG2-OG1 3.17Å; I275-V294 HydrophobicContact CD1-CG2 4.13Å; I275-L316 HydrophobicContact CD1-CD2 4.15Å; I275-C319 HydrophobicContact CG2-CB 3.8Å
276S74.6Confident79.6Confident58 Ų5866.9 Ų66.941%0.40636%0.364SS..Hα-helixtrans-59.3-41.2-179.9-610000112F272 A280F272-S276 PolarHBondContact O-N 3.3Å; F272-S276 PolarHBondContact O-OG 3.28Å; S276-A280 WeakPolarHBondContact O-CB 3.45Å; S276-A280 PolarHBondContact O-N 3.4Å
277R77.9Confident80Confident146 Ų14661 Ų6155%0.55134%0.337SS*.Hα-helixtrans-67.9-37.2176.6-165.8-174.5-53.395.98112.3D273 E274 I275 A281D273-R277 VanDerWaalsContact O-CB 3.25Å; D273-R277 WeakPolarHBondContact O-CB 3.18Å; D273-R277 PolarHBondContact O-N 3.23Å; D273-R277 VanDerWaalsContact O-N 3.15Å; D273-R277 PolarHBondContact O-NH1 3.37Å; D273-R277 PolarHBondContact O-NH2 3.23Å; E274-R277 PolarHBondContact O-N 3.17Å; I275-R277 VanDerWaalsContact C-N 3.3Å; I275-R277 PolarHBondContact O-N 3.15Å; R277-A281 VanDerWaalsContact O-CB 3.29Å; R277-A281 WeakPolarHBondContact O-CB 3.48Å; R277-A281 PolarHBondContact O-N 3.34Å
278S78.6Confident80.3Confident28 Ų2857.7 Ų57.720%0.19633%0.325CS..Hα-helixtrans-68.1-40.8176.8-73.60000112.3E274 I275 A281 G282 N283E274-S278 WeakPolarHBondContact O-CB 3.49Å; E274-S278 PolarHBondContact O-N 2.71Å; E274-S278 PolarHBondContact O-OG 3.06Å; I275-S278 PolarHBondContact O-N 3.29Å; I275-S278 VanDerWaalsContact O-N 3.1Å; S278-A281 PolarHBondContact O-N 3.46Å; S278-G282 PolarHBondContact O-N 2.85Å; S278-N283 WeakPolarHBondContact O-CA 3.22Å; S278-N283 PolarHBondContact O-N 3.38Å
279L70.6Confident80.8Confident34 Ų3460.4 Ų60.418%0.17834%0.344CS..Hα-helixtrans-62-50172.7-71.2172.7000111.1I275 A281 G282 S287 C319 A323I275-L279 HydrophobicContact CG2-CD1 4.09Å; I275-L279 PolarHBondContact O-N 2.93Å; L279-A281 PolarHBondContact O-N 3.04Å; L279-G282 PolarHBondContact O-N 3.42Å; L279-S287 WeakPolarHBondContact CD2-OG 3.28Å; L279-S287 VanDerWaalsContact CG-OG 3.24Å; L279-S287 WeakPolarHBondContact CG-OG 3.46Å; L279-C319 HydrophobicContact CD1-CB 4.23Å; L279-A323 HydrophobicContact CD2-CB 3.93Å
280A67.9Low81.4Confident72 Ų7257.4 Ų57.460%0.59533%0.327SS*.Hα-helixtrans-61.8-27.7179.400000113.5S276 G282S276-A280 WeakPolarHBondContact O-CB 3.45Å; S276-A280 PolarHBondContact O-N 3.4Å; A280-G282 VanDerWaalsContact C-N 3.29Å
281A75.4Confident81.7Confident78 Ų7851.1 Ų51.165%0.64530%0.3SS*.THydrogen-bonded Turntrans-853.7175.600000113.7R277 S278 L279 N283R277-A281 VanDerWaalsContact O-CB 3.29Å; R277-A281 WeakPolarHBondContact O-CB 3.48Å; R277-A281 PolarHBondContact O-N 3.34Å; S278-A281 PolarHBondContact O-N 3.46Å; L279-A281 PolarHBondContact O-N 3.04Å; A281-N283 PolarHBondContact O-N 2.97Å
282G75.6Confident82.1Confident53 Ų5354.6 Ų54.655%0.54632%0.316SS..THydrogen-bonded Turntrans6712.7-175.100000113.9S278 L279 A280 T284S278-G282 PolarHBondContact O-N 2.85Å; L279-G282 PolarHBondContact O-N 3.42Å; A280-G282 VanDerWaalsContact C-N 3.29Å; G282-T284 VanDerWaalsContact C-N 3.26Å; G282-T284 PolarHBondContact O-N 3.17Å
283N86.1Confident82.6Confident83 Ų8355.9 Ų55.944%0.44433%0.325SS..  trans-87.568.8179.2-167.4-11.2000110.5S278 A281 K285 A286 S287S278-N283 WeakPolarHBondContact O-CA 3.22Å; S278-N283 PolarHBondContact O-N 3.38Å; A281-N283 PolarHBondContact O-N 2.97Å; N283-K285 VanDerWaalsContact C-N 3.32Å; N283-K285 PolarHBondContact O-N 3.17Å; N283-A286 HydrophobicContact CB-CB 4.35Å; N283-A286 VanDerWaalsContact CG-CB 3.45Å; N283-A286 WeakPolarHBondContact ND2-CB 3.31Å; N283-A286 PolarHBondContact O-N 3.23Å; N283-A286 WeakPolarHBondContact OD1-CB 3.42Å; N283-A286 PolarHBondContact OD1-N 3.41Å; N283-S287 PolarHBondContact O-N 2.87Å; N283-S287 VanDerWaalsContact O-N 3.07Å
284T83.4Confident83.1Confident20 Ų2051.5 Ų51.512%0.12330%0.301CS..Hα-helixtrans-55.6-42.5-175.7540000112.6G282 S287 L288 D326 L327G282-T284 VanDerWaalsContact C-N 3.26Å; G282-T284 PolarHBondContact O-N 3.17Å; T284-S287 WeakPolarHBondContact O-CB 3.3Å; T284-S287 PolarHBondContact O-N 3.12Å; T284-L288 WeakPolarHBondContact O-CG 3.42Å; T284-L288 PolarHBondContact O-N 3.46Å; T284-D326 HydrophobicContact CG2-CB 3.41Å; T284-D326 VanDerWaalsContact CG2-CB 3.41Å; T284-L327 HydrophobicContact CG2-CG 4.46Å; T284-L327 WeakPolarHBondContact OG1-CD2 3.44Å
285K86.8Confident83.4Confident157 Ų15750 Ų5068%0.68330%0.295SS*.Hα-helixtrans-65-41.8-180-66.5-179-178.6175.60113.2N283 C289N283-K285 VanDerWaalsContact C-N 3.32Å; N283-K285 PolarHBondContact O-N 3.17Å; K285-C289 WeakPolarHBondContact O-CB 3.39Å; K285-C289 PolarHBondContact O-N 3.15Å; K285-C289 VanDerWaalsContact O-N 3.13Å
286A86Confident83.9Confident35 Ų3555.9 Ų55.929%0.28932%0.32SS..Hα-helixtrans-68.4-39.2176.800000111.3N283 K290N283-A286 HydrophobicContact CB-CB 4.35Å; N283-A286 VanDerWaalsContact CG-CB 3.45Å; N283-A286 WeakPolarHBondContact ND2-CB 3.31Å; N283-A286 PolarHBondContact O-N 3.23Å; N283-A286 WeakPolarHBondContact OD1-CB 3.42Å; N283-A286 PolarHBondContact OD1-N 3.41Å; A286-K290 WeakPolarHBondContact O-CB 3.05Å; A286-K290 PolarHBondContact O-N 2.91Å
287S86.3Confident84.4Confident0 Ų055.4 Ų55.40%032%0.315CS..Hα-helixtrans-60.2-49.2174.6178.90000111.9L279 N283 T284 K290 T291L279-S287 WeakPolarHBondContact CD2-OG 3.28Å; L279-S287 VanDerWaalsContact CG-OG 3.24Å; L279-S287 WeakPolarHBondContact CG-OG 3.46Å; N283-S287 PolarHBondContact O-N 2.87Å; N283-S287 VanDerWaalsContact O-N 3.07Å; T284-S287 WeakPolarHBondContact O-CB 3.3Å; T284-S287 PolarHBondContact O-N 3.12Å; S287-K290 PolarHBondContact O-N 3.39Å; S287-T291 VanDerWaalsContact O-CB 3.3Å; S287-T291 WeakPolarHBondContact O-CB 3.38Å; S287-T291 PolarHBondContact O-N 3.23Å; S287-T291 PolarHBondContact O-OG1 3.36Å
288L90Very high84.8Confident17 Ų1748.5 Ų48.59%0.08929%0.289CS..Hα-helixtrans-57.7-53177.6-77.1172.8000111.8T284 K290 T291 E292 M320 A323 Y324 L327T284-L288 WeakPolarHBondContact O-CG 3.42Å; T284-L288 PolarHBondContact O-N 3.46Å; L288-K290 VanDerWaalsContact C-N 3.27Å; L288-K290 PolarHBondContact O-N 2.88Å; L288-T291 PolarHBondContact O-N 3.47Å; L288-T291 VanDerWaalsContact O-N 3.13Å; L288-E292 WeakPolarHBondContact O-CG 3.35Å; L288-E292 PolarHBondContact O-N 3.25Å; L288-M320 HydrophobicContact CD2-CE 3.77Å; L288-M320 HydrophobicContact CD2-SD 3.52Å; L288-M320 VanDerWaalsContact CD2-SD 3.52Å; L288-A323 HydrophobicContact CD1-CB 4.42Å; L288-A323 HydrophobicContact CD2-CB 3.55Å; L288-A323 HydrophobicContact CG-CB 3.63Å; L288-Y324 HydrophobicContact CD1-CE1 4.16Å; L288-Y324 HydrophobicContact CD2-CD2 4.12Å; L288-Y324 HydrophobicContact CD2-CE1 4.42Å; L288-Y324 HydrophobicContact CD2-CE2 3.82Å; L288-L327 HydrophobicContact CD1-CD1 3.47Å; L288-L327 VanDerWaalsContact CD1-CD1 3.47Å
289C90.6Very high85.2Confident70 Ų7052.6 Ų52.647%0.47331%0.305SS..Hα-helixtrans-55.9-45.3-179.8-176.60000111.3K285 D293K285-C289 WeakPolarHBondContact O-CB 3.39Å; K285-C289 PolarHBondContact O-N 3.15Å; K285-C289 VanDerWaalsContact O-N 3.13Å; C289-D293 PolarHBondContact O-N 2.94Å; C289-D293 VanDerWaalsContact O-N 3.16Å
290K90.7Very high85.7Confident41 Ų4154 Ų5418%0.17833%0.327CS..Hα-helixtrans-67.5-41178.9-171.570.9-165.2-160.10112.2S271 E274 I275 A286 S287 L288 D293 V294S271-K290 WeakPolarHBondContact OG-CE 3.24Å; S271-K290 PolarHBondContact OG-NZ 3.41Å; E274-K290 HydrophobicContact CB-CG 4.5Å; E274-K290 WeakPolarHBondContact OE2-CE 3.35Å; E274-K290 IonicContact OE2-NZ 3.67Å; E274-K290 PolarHBondContact OE2-NZ 3.01Å; I275-K290 HydrophobicContact CD1-CG 4.26Å; I275-K290 HydrophobicContact CG1-CB 3.98Å; I275-K290 HydrophobicContact CG1-CG 3.66Å; A286-K290 WeakPolarHBondContact O-CB 3.05Å; A286-K290 PolarHBondContact O-N 2.91Å; S287-K290 PolarHBondContact O-N 3.39Å; L288-K290 VanDerWaalsContact C-N 3.27Å; L288-K290 PolarHBondContact O-N 2.88Å; K290-D293 PolarHBondContact O-N 2.92Å; K290-V294 VanDerWaalsContact O-CG2 3.29Å; K290-V294 WeakPolarHBondContact O-CG2 3.44Å; K290-V294 PolarHBondContact O-N 3.45Å
291T89.6Confident86.4Confident0 Ų051.1 Ų51.10%030%0.302CS..Hα-helixtrans-65.9-42.6179.8-54.60000110.9I275 S287 L288 D293 V294 I295 L316 C319 M320I275-T291 HydrophobicContact CD1-CG2 4.46Å; I275-T291 WeakPolarHBondContact CG2-OG1 3.17Å; S287-T291 VanDerWaalsContact O-CB 3.3Å; S287-T291 WeakPolarHBondContact O-CB 3.38Å; S287-T291 PolarHBondContact O-N 3.23Å; S287-T291 PolarHBondContact O-OG1 3.36Å; L288-T291 PolarHBondContact O-N 3.47Å; L288-T291 VanDerWaalsContact O-N 3.13Å; T291-D293 PolarHBondContact O-N 2.94Å; T291-V294 PolarHBondContact O-N 3.38Å; T291-I295 HydrophobicContact CG2-CD1 4.15Å; T291-I295 VanDerWaalsContact O-CG1 3.31Å; T291-I295 WeakPolarHBondContact O-CG1 3.43Å; T291-I295 PolarHBondContact O-N 3.42Å; T291-L316 HydrophobicContact CG2-CB 4.26Å; T291-L316 HydrophobicContact CG2-CD2 3.81Å; T291-L316 WeakPolarHBondContact CG2-O 3.4Å; T291-C319 HydrophobicContact CG2-CB 4.01Å; T291-M320 HydrophobicContact CG2-CG 3.6Å; T291-M320 HydrophobicContact CG2-SD 3.66Å
292E92.4Very high86.5Confident74 Ų7451 Ų5135%0.34629%0.293SS..Hα-helixtrans-59.4-42.5173.6-74.2179.1-170.700112.7L288 V294 I295 K296 M320L288-E292 WeakPolarHBondContact O-CG 3.35Å; L288-E292 PolarHBondContact O-N 3.25Å; E292-V294 VanDerWaalsContact C-N 3.33Å; E292-I295 PolarHBondContact O-N 3.14Å; E292-K296 WeakPolarHBondContact O-CG 3.22Å; E292-K296 PolarHBondContact O-N 3.4Å; E292-M320 HydrophobicContact CG-CE 3.75Å; E292-M320 HydrophobicContact CG-SD 4.29Å
293D90.7Very high86.3Confident67 Ų6753.9 Ų53.936%0.35830%0.296SS..Hα-helixtrans-64.5-38.9177.4-78-12000112C289 K290 T291 K296 T297C289-D293 PolarHBondContact O-N 2.94Å; C289-D293 VanDerWaalsContact O-N 3.16Å; K290-D293 PolarHBondContact O-N 2.92Å; T291-D293 PolarHBondContact O-N 2.94Å; D293-K296 IonicContact OD1-NZ 2.7Å; D293-T297 PolarHBondContact O-N 3Å; D293-T297 VanDerWaalsContact O-N 3.1Å; D293-T297 PolarHBondContact O-OG1 3.19Å
294V89Confident85.3Confident0 Ų058.9 Ų58.90%032%0.317CS..Hα-helixtrans-69.3-41.8175.91800000110.7Y267 L268 F272 I275 K290 T291 E292 K296 T297 V298 L316Y267-V294 HydrophobicContact CE1-CG2 4.48Å; L268-V294 HydrophobicContact CD2-CG1 3.7Å; F272-V294 HydrophobicContact CE1-CG1 4.12Å; I275-V294 HydrophobicContact CD1-CG2 4.13Å; K290-V294 VanDerWaalsContact O-CG2 3.29Å; K290-V294 WeakPolarHBondContact O-CG2 3.44Å; K290-V294 PolarHBondContact O-N 3.45Å; T291-V294 PolarHBondContact O-N 3.38Å; E292-V294 VanDerWaalsContact C-N 3.33Å; V294-K296 PolarHBondContact O-N 2.97Å; V294-T297 WeakPolarHBondContact O-CA 3.21Å; V294-T297 WeakPolarHBondContact O-CB 3.36Å; V294-T297 PolarHBondContact O-N 3.4Å; V294-T297 VanDerWaalsContact O-N 3.08Å; V294-V298 HydrophobicContact CG1-CG2 4.08Å; V294-V298 VanDerWaalsContact O-CG2 3.3Å; V294-V298 WeakPolarHBondContact O-CG2 3.41Å; V294-V298 PolarHBondContact O-N 2.89Å; V294-L316 HydrophobicContact CB-CD2 3.96Å; V294-L316 HydrophobicContact CG1-CD1 3.85Å; V294-L316 HydrophobicContact CG1-CD2 3.7Å; V294-L316 HydrophobicContact CG1-CG 4.4Å
295I89.6Confident84.6Confident18 Ų1861.1 Ų61.19%0.09233%0.328CS..Hα-helixtrans-56.3-49.7174.9-73.3167.7000110.6T291 E292 T297 V298 Q299 M313 L316 M320T291-I295 HydrophobicContact CG2-CD1 4.15Å; T291-I295 VanDerWaalsContact O-CG1 3.31Å; T291-I295 WeakPolarHBondContact O-CG1 3.43Å; T291-I295 PolarHBondContact O-N 3.42Å; E292-I295 PolarHBondContact O-N 3.14Å; I295-T297 PolarHBondContact O-N 3.2Å; I295-V298 PolarHBondContact O-N 3.16Å; I295-Q299 HydrophobicContact CG2-CG 4.22Å; I295-Q299 WeakPolarHBondContact O-CB 3.45Å; I295-Q299 VanDerWaalsContact O-CG 3.3Å; I295-Q299 WeakPolarHBondContact O-CG 3.29Å; I295-Q299 PolarHBondContact O-N 3.46Å; I295-M313 HydrophobicContact CG2-CE 4.12Å; I295-L316 HydrophobicContact CD1-CB 4.19Å; I295-L316 HydrophobicContact CG1-CB 3.78Å; I295-L316 HydrophobicContact CG1-CD1 3.82Å; I295-L316 HydrophobicContact CG1-CD2 4.49Å; I295-L316 HydrophobicContact CG1-CG 4.25Å; I295-M320 HydrophobicContact CD1-CG 3.97Å
296K89.7Confident83.7Confident122 Ų12254.3 Ų54.353%0.5330%0.3SS..Hα-helixtrans-57.8-40176.7-69.6166.1-166.6155.10111.7E292 D293 V294 G300E292-K296 WeakPolarHBondContact O-CG 3.22Å; E292-K296 PolarHBondContact O-N 3.4Å; D293-K296 IonicContact OD1-NZ 2.7Å; V294-K296 PolarHBondContact O-N 2.97Å; K296-G300 PolarHBondContact O-N 2.93Å
297T86.6Confident82.9Confident49 Ų4958.2 Ų58.230%0.30132%0.322SS..Hα-helixtrans-66.1-43.5178.7-57.90000111.6Y267 D293 V294 I295 G300 L301Y267-T297 HydrophobicContact CD1-CG2 4.36Å; Y267-T297 HydrophobicContact CE1-CG2 4.14Å; D293-T297 PolarHBondContact O-N 3Å; D293-T297 VanDerWaalsContact O-N 3.1Å; D293-T297 PolarHBondContact O-OG1 3.19Å; V294-T297 WeakPolarHBondContact O-CA 3.21Å; V294-T297 WeakPolarHBondContact O-CB 3.36Å; V294-T297 PolarHBondContact O-N 3.4Å; V294-T297 VanDerWaalsContact O-N 3.08Å; I295-T297 PolarHBondContact O-N 3.2Å; T297-G300 PolarHBondContact O-N 2.85Å; T297-L301 WeakPolarHBondContact O-CG 3.5Å
298V85.3Confident82.3Confident0 Ų062.2 Ų62.20%034%0.343CS..Hα-helixtrans-72.7-38.8-178.9174.10000111.6L268 V294 I295 G300 L301 K309 I312 M313 L316L268-V298 HydrophobicContact CD2-CG2 3.64Å; V294-V298 HydrophobicContact CG1-CG2 4.08Å; V294-V298 VanDerWaalsContact O-CG2 3.3Å; V294-V298 WeakPolarHBondContact O-CG2 3.41Å; V294-V298 PolarHBondContact O-N 2.89Å; I295-V298 PolarHBondContact O-N 3.16Å; V298-G300 PolarHBondContact O-N 2.91Å; V298-L301 WeakPolarHBondContact O-CB 3.3Å; V298-L301 PolarHBondContact O-N 3.05Å; V298-K309 HydrophobicContact CG1-CG 3.89Å; V298-K309 WeakPolarHBondContact O-CE 3.38Å; V298-I312 HydrophobicContact CG1-CG2 4.03Å; V298-I312 HydrophobicContact CG2-CG2 3.78Å; V298-M313 HydrophobicContact CB-SD 4.18Å; V298-M313 HydrophobicContact CG1-CG 4.02Å; V298-M313 HydrophobicContact CG1-SD 3.73Å; V298-L316 HydrophobicContact CB-CD1 4.5Å; V298-L316 HydrophobicContact CG2-CD1 4.12Å
299Q86.6Confident81.9Confident115 Ų11563.2 Ų63.254%0.53735%0.347SS..Hα-helixtrans-60.8-34.5174.1-75.6176-14.600112.3I295 L301I295-Q299 HydrophobicContact CG2-CG 4.22Å; I295-Q299 WeakPolarHBondContact O-CB 3.45Å; I295-Q299 VanDerWaalsContact O-CG 3.3Å; I295-Q299 WeakPolarHBondContact O-CG 3.29Å; I295-Q299 PolarHBondContact O-N 3.46Å; Q299-L301 PolarHBondContact O-N 3.47Å
300G82.4Confident81.3Confident62 Ų6263.6 Ų63.664%0.63934%0.344SS*.THydrogen-bonded Turntrans-73.4-2.1174.300000115.1K296 T297 V298K296-G300 PolarHBondContact O-N 2.93Å; T297-G300 PolarHBondContact O-N 2.85Å; V298-G300 PolarHBondContact O-N 2.91Å
301L81.5Confident80.8Confident12 Ų1266.2 Ų66.26%0.06336%0.357CS..SBendtrans-89.3141.4174.1-55.7178.2000110.7K264 L268 T297 V298 Q299 C306 K309K264-L301 HydrophobicContact CD-CD2 3.89Å; L268-L301 HydrophobicContact CD1-CD1 4.49Å; T297-L301 WeakPolarHBondContact O-CG 3.5Å; V298-L301 WeakPolarHBondContact O-CB 3.3Å; V298-L301 PolarHBondContact O-N 3.05Å; Q299-L301 PolarHBondContact O-N 3.47Å; L301-C306 HydrophobicContact CB-CB 4.43Å; L301-C306 HydrophobicContact CD1-CB 4.03Å; L301-K309 PolarHBondContact O-NZ 3.42Å
302T77.2Confident80.5Confident75 Ų7567 Ų6746%0.4636%0.361SS..  trans-84.2156.9170.969.30000110.4Q304 D305 C306T302-Q304 PolarHBondContact O-N 3.46Å; T302-Q304 VanDerWaalsContact O-N 3.12Å; T302-D305 PolarHBondContact N-OD2 2.86Å; T302-D305 WeakPolarHBondContact O-CB 3.5Å; T302-D305 PolarHBondContact O-N 2.86Å; T302-D305 VanDerWaalsContact OG1-CG 3.31Å; T302-D305 PolarHBondContact OG1-OD2 3.05Å; T302-C306 PolarHBondContact O-N 3.1Å
303D71.7Confident80.1Confident115 Ų11564.2 Ų64.262%0.61535%0.348SS*.THydrogen-bonded Turntrans-64-20.8-179-49.8-23.8000112.1K309D303-K309 IonicContact OD1-NZ 3.02Å
304Q66.1Low79.6Confident187 Ų18761.1 Ų61.187%0.87433%0.332SS*.THydrogen-bonded Turntrans-73.3-27.8171.5-66.1-175.7-3.400113T302T302-Q304 PolarHBondContact O-N 3.46Å; T302-Q304 VanDerWaalsContact O-N 3.12Å
305D67.8Low79.3Confident67 Ų6764.5 Ų64.536%0.35835%0.347SS..THydrogen-bonded Turntrans-84.7-30.4179.8-65.9-51.4000112.4T302T302-D305 PolarHBondContact N-OD2 2.86Å; T302-D305 WeakPolarHBondContact O-CB 3.5Å; T302-D305 PolarHBondContact O-N 2.86Å; T302-D305 VanDerWaalsContact OG1-CG 3.31Å; T302-D305 PolarHBondContact OG1-OD2 3.05Å
306C69.1Low79.2Confident14 Ų1463.7 Ų63.710%0.09534%0.342CS..  trans-145.692.1-177.1-167.50000110.5L301 T302 I308 K309L301-C306 HydrophobicContact CB-CB 4.43Å; L301-C306 HydrophobicContact CD1-CB 4.03Å; T302-C306 PolarHBondContact O-N 3.1Å; C306-I308 PolarHBondContact O-N 3.25Å; C306-K309 HydrophobicContact CB-CB 4.36Å; C306-K309 VanDerWaalsContact O-CB 3.24Å; C306-K309 WeakPolarHBondContact O-CB 3.36Å; C306-K309 PolarHBondContact O-N 2.87Å; C306-K309 VanDerWaalsContact O-N 3.16Å
307P69.1Low79.2Confident117 Ų11759.4 Ų59.476%0.7632%0.324SS*.THydrogen-bonded Turntrans-63.8-24.7179.1-22.533.7000113.6K309P307-K309 VanDerWaalsContact C-N 3.3Å
308I73.8Confident79.1Confident84 Ų8457.3 Ų57.343%0.43131%0.311SS..THydrogen-bonded Turntrans-94.523.4178.559.2168.1000112.3C306 D310 E311 I312C306-I308 PolarHBondContact O-N 3.25Å; I308-D310 VanDerWaalsContact C-N 3.3Å; I308-D310 PolarHBondContact O-N 2.99Å; I308-E311 HydrophobicContact CB-CB 4.46Å; I308-E311 PolarHBondContact O-N 3.1Å; I308-I312 HydrophobicContact CD1-CD1 4.01Å; I308-I312 HydrophobicContact CD1-CG1 4.38Å; I308-I312 HydrophobicContact CG1-CD1 3.94Å; I308-I312 HydrophobicContact CG1-CG1 4.42Å; I308-I312 WeakPolarHBondContact O-CG1 3.44Å; I308-I312 PolarHBondContact O-N 3.22Å
309K79.8Confident79.1Confident39 Ų3957.6 Ų57.617%0.1731%0.313CS..Hα-helixtrans-57.4-44.6-176.9177.5178.6174.2-177.90111.7V298 L301 D303 C306 P307 I312 M313V298-K309 HydrophobicContact CG1-CG 3.89Å; V298-K309 WeakPolarHBondContact O-CE 3.38Å; L301-K309 PolarHBondContact O-NZ 3.42Å; D303-K309 IonicContact OD1-NZ 3.02Å; C306-K309 HydrophobicContact CB-CB 4.36Å; C306-K309 VanDerWaalsContact O-CB 3.24Å; C306-K309 WeakPolarHBondContact O-CB 3.36Å; C306-K309 PolarHBondContact O-N 2.87Å; C306-K309 VanDerWaalsContact O-N 3.16Å; P307-K309 VanDerWaalsContact C-N 3.3Å; K309-I312 PolarHBondContact O-N 3.26Å; K309-M313 VanDerWaalsContact O-CG 3.28Å; K309-M313 WeakPolarHBondContact O-CG 3.34Å; K309-M313 PolarHBondContact O-N 3.3Å
310D79.9Confident79.2Confident78 Ų7852.1 Ų52.142%0.41729%0.288SS..Hα-helixtrans-69.6-38.1-177.4-62.5-27.5000111.7I308 I312 M313 C314 L343 C347I308-D310 VanDerWaalsContact C-N 3.3Å; I308-D310 PolarHBondContact O-N 2.99Å; D310-I312 VanDerWaalsContact C-N 3.34Å; D310-I312 PolarHBondContact O-N 3.42Å; D310-M313 WeakPolarHBondContact O-CB 3.23Å; D310-M313 PolarHBondContact O-N 3.42Å; D310-M313 VanDerWaalsContact O-N 3.13Å; D310-C314 PolarHBondContact O-N 3.44Å; D310-C314 PolarHBondContact O-SG 3.03Å; D310-L343 HydrophobicContact CB-CD1 3.98Å; D310-L343 HydrophobicContact CB-CD2 4.31Å; D310-L343 HydrophobicContact CB-CG 4.19Å; D310-L343 VanDerWaalsContact O-CD2 3.23Å; D310-L343 WeakPolarHBondContact O-CD2 3.49Å; D310-C347 WeakPolarHBondContact CB-SG 3.4Å
311E79.5Confident79.3Confident95 Ų9549.1 Ų49.144%0.44426%0.257SS..Hα-helixtrans-61.4-40.9172.3-58.9-179-158.400112.3I308 M313 C314 F315 V349I308-E311 HydrophobicContact CB-CB 4.46Å; I308-E311 PolarHBondContact O-N 3.1Å; E311-M313 VanDerWaalsContact C-N 3.32Å; E311-C314 WeakPolarHBondContact O-CB 3.4Å; E311-C314 PolarHBondContact O-N 3.09Å; E311-F315 PolarHBondContact O-N 2.89Å; E311-V349 HydrophobicContact CG-CG2 4.04Å
312I83Confident79.3Confident18 Ų1851.7 Ų51.79%0.09227%0.269CS..Hα-helixtrans-64.6-40.7174.8-71.7168.9000110.5L268 F272 V298 I308 K309 D310 F315 L316L268-I312 HydrophobicContact CD1-CD1 4.4Å; F272-I312 HydrophobicContact CE1-CG2 4.26Å; F272-I312 HydrophobicContact CZ-CG1 4.3Å; F272-I312 HydrophobicContact CZ-CG2 3.7Å; V298-I312 HydrophobicContact CG1-CG2 4.03Å; V298-I312 HydrophobicContact CG2-CG2 3.78Å; I308-I312 HydrophobicContact CD1-CD1 4.01Å; I308-I312 HydrophobicContact CD1-CG1 4.38Å; I308-I312 HydrophobicContact CG1-CD1 3.94Å; I308-I312 HydrophobicContact CG1-CG1 4.42Å; I308-I312 WeakPolarHBondContact O-CG1 3.44Å; I308-I312 PolarHBondContact O-N 3.22Å; K309-I312 PolarHBondContact O-N 3.26Å; D310-I312 VanDerWaalsContact C-N 3.34Å; D310-I312 PolarHBondContact O-N 3.42Å; I312-F315 PolarHBondContact O-N 3Å; I312-L316 HydrophobicContact CG2-CD1 3.74Å; I312-L316 HydrophobicContact CG2-CG 4.34Å; I312-L316 VanDerWaalsContact O-CG 3.28Å; I312-L316 WeakPolarHBondContact O-CG 3.34Å; I312-L316 PolarHBondContact O-N 3.21Å
313M84.3Confident79.7Confident15 Ų1548.1 Ų48.17%0.07425%0.247CC..Hα-helixtrans-64.5-38.8176.8-72-62.1-56.700111.5I295 V298 K309 D310 E311 F315 L316 H317 L343I295-M313 HydrophobicContact CG2-CE 4.12Å; V298-M313 HydrophobicContact CB-SD 4.18Å; V298-M313 HydrophobicContact CG1-CG 4.02Å; V298-M313 HydrophobicContact CG1-SD 3.73Å; K309-M313 VanDerWaalsContact O-CG 3.28Å; K309-M313 WeakPolarHBondContact O-CG 3.34Å; K309-M313 PolarHBondContact O-N 3.3Å; D310-M313 WeakPolarHBondContact O-CB 3.23Å; D310-M313 PolarHBondContact O-N 3.42Å; D310-M313 VanDerWaalsContact O-N 3.13Å; E311-M313 VanDerWaalsContact C-N 3.32Å; M313-F315 PolarHBondContact O-N 3.29Å; M313-L316 PolarHBondContact O-N 3.02Å; M313-L316 HydrophobicContact SD-CD1 4.26Å; M313-H317 WeakPolarHBondContact O-CB 3.26Å; M313-H317 PolarHBondContact O-CD2 3.35Å; M313-H317 PolarHBondContact O-N 3.12Å; M313-L343 HydrophobicContact CB-CD2 3.55Å
314C80.4Confident80.5Confident2 Ų243.9 Ų43.91%0.01422%0.222CC..Hα-helixtrans-54.4-52.9171.5-68.40000111.4D310 E311 L316 H317 S318 D340 L343 S344D310-C314 PolarHBondContact O-N 3.44Å; D310-C314 PolarHBondContact O-SG 3.03Å; E311-C314 WeakPolarHBondContact O-CB 3.4Å; E311-C314 PolarHBondContact O-N 3.09Å; C314-L316 VanDerWaalsContact C-N 3.32Å; C314-L316 PolarHBondContact O-N 3.43Å; C314-H317 PolarHBondContact O-N 3.47Å; C314-S318 PolarHBondContact O-N 3.1Å; C314-D340 WeakPolarHBondContact CA-OD1 3.49Å; C314-D340 VanDerWaalsContact CB-OD1 3.3Å; C314-D340 WeakPolarHBondContact CB-OD1 3.43Å; C314-D340 VanDerWaalsContact O-OD1 3.07Å; C314-L343 VanDerWaalsContact SG-CB 3.57Å; C314-L343 VanDerWaalsContact SG-CG 3.51Å; C314-S344 PolarHBondContact SG-N 3.46Å; C314-S344 VanDerWaalsContact SG-N 3.39Å
315F82.5Confident81.3Confident71 Ų7137.6 Ų37.631%0.31119%0.192SC..Hα-helixtrans-58.2-44.1178.6176.9-98.3000112.2F272 E311 I312 M313 S318 C319F272-F315 HydrophobicContact CB-CE1 4.17Å; F272-F315 AromaticContact CD1-CD1 3.84Å; F272-F315 HydrophobicContact CD1-CD1 3.84Å; F272-F315 AromaticContact CD1-CE1 3.56Å; F272-F315 HydrophobicContact CD1-CE1 3.56Å; F272-F315 AromaticContact CE1-CD1 3.91Å; F272-F315 HydrophobicContact CE1-CD1 3.91Å; F272-F315 HydrophobicContact CE1-CE1 4.13Å; F272-F315 HydrophobicContact CG-CD1 4.43Å; F272-F315 AromaticContact CG-CE1 3.96Å; F272-F315 HydrophobicContact CG-CE1 3.96Å; E311-F315 PolarHBondContact O-N 2.89Å; I312-F315 PolarHBondContact O-N 3Å; M313-F315 PolarHBondContact O-N 3.29Å; F315-S318 VanDerWaalsContact O-CB 3.26Å; F315-S318 WeakPolarHBondContact O-CB 3.38Å; F315-S318 PolarHBondContact O-N 3.13Å; F315-C319 PolarHBondContact O-N 3.28Å; F315-C319 PolarHBondContact O-SG 2.94Å; F315-C319 VanDerWaalsContact O-SG 3.38Å
316L86.8Confident82Confident0 Ų038.7 Ų38.70%020%0.198CC..Hα-helixtrans-65.8-41.2179.1-69.5167.3000112.6F272 I275 T291 V294 I295 V298 I312 M313 C314 S318 C319 M320F272-L316 HydrophobicContact CD1-CD2 4.43Å; F272-L316 HydrophobicContact CE1-CD2 3.93Å; F272-L316 HydrophobicContact CE1-CG 4.28Å; I275-L316 HydrophobicContact CD1-CD2 4.15Å; T291-L316 HydrophobicContact CG2-CB 4.26Å; T291-L316 HydrophobicContact CG2-CD2 3.81Å; T291-L316 WeakPolarHBondContact CG2-O 3.4Å; V294-L316 HydrophobicContact CB-CD2 3.96Å; V294-L316 HydrophobicContact CG1-CD1 3.85Å; V294-L316 HydrophobicContact CG1-CD2 3.7Å; V294-L316 HydrophobicContact CG1-CG 4.4Å; I295-L316 HydrophobicContact CD1-CB 4.19Å; I295-L316 HydrophobicContact CG1-CB 3.78Å; I295-L316 HydrophobicContact CG1-CD1 3.82Å; I295-L316 HydrophobicContact CG1-CD2 4.49Å; I295-L316 HydrophobicContact CG1-CG 4.25Å; V298-L316 HydrophobicContact CB-CD1 4.5Å; V298-L316 HydrophobicContact CG2-CD1 4.12Å; I312-L316 HydrophobicContact CG2-CD1 3.74Å; I312-L316 HydrophobicContact CG2-CG 4.34Å; I312-L316 VanDerWaalsContact O-CG 3.28Å; I312-L316 WeakPolarHBondContact O-CG 3.34Å; I312-L316 PolarHBondContact O-N 3.21Å; M313-L316 PolarHBondContact O-N 3.02Å; M313-L316 HydrophobicContact SD-CD1 4.26Å; C314-L316 VanDerWaalsContact C-N 3.32Å; C314-L316 PolarHBondContact O-N 3.43Å; L316-S318 VanDerWaalsContact C-N 3.29Å; L316-S318 PolarHBondContact O-N 3.27Å; L316-C319 PolarHBondContact O-N 3.1Å; L316-M320 WeakPolarHBondContact O-CG 3.35Å; L316-M320 PolarHBondContact O-N 3.11Å
317H89.8Confident82.8Confident32 Ų3241.1 Ų41.115%0.14821%0.21CC..Hα-helixtrans-60.9-40.2173.5-76.6-58000111.1M313 C314 C319 M320 G321 Y336 D340M313-H317 WeakPolarHBondContact O-CB 3.26Å; M313-H317 PolarHBondContact O-CD2 3.35Å; M313-H317 PolarHBondContact O-N 3.12Å; C314-H317 PolarHBondContact O-N 3.47Å; H317-C319 PolarHBondContact O-N 3.43Å; H317-M320 PolarHBondContact O-N 3.01Å; H317-G321 PolarHBondContact O-N 3.4Å; H317-Y336 AromaticContact ND1-CD1 3.45Å; H317-Y336 WeakPolarHBondContact ND1-CD1 3.43Å; H317-Y336 AromaticContact ND1-CE1 3.82Å; H317-D340 HydrophobicContact CB-CB 3.91Å
318S85.7Confident83.6Confident5 Ų538 Ų384%0.03520%0.199CC..Hα-helixtrans-59.6-44.5172.3-166.90000113.6C314 F315 L316 M320 G321 H322 R355C314-S318 PolarHBondContact O-N 3.1Å; F315-S318 VanDerWaalsContact O-CB 3.26Å; F315-S318 WeakPolarHBondContact O-CB 3.38Å; F315-S318 PolarHBondContact O-N 3.13Å; L316-S318 VanDerWaalsContact C-N 3.29Å; L316-S318 PolarHBondContact O-N 3.27Å; S318-M320 VanDerWaalsContact C-N 3.32Å; S318-G321 PolarHBondContact O-N 3.06Å; S318-H322 PolarHBondContact O-CD2 3.47Å; S318-H322 VanDerWaalsContact O-CD2 3.26Å; S318-H322 PolarHBondContact O-N 3.26Å; S318-R355 PolarHBondContact OG-NH1 3.15Å
319C85Confident84.4Confident6 Ų637.9 Ų37.94%0.04120%0.197CC..Hα-helixtrans-64.4-38.7179.5-68.60000111.6I275 L279 T291 F315 L316 H317 A323I275-C319 HydrophobicContact CG2-CB 3.8Å; L279-C319 HydrophobicContact CD1-CB 4.23Å; T291-C319 HydrophobicContact CG2-CB 4.01Å; F315-C319 PolarHBondContact O-N 3.28Å; F315-C319 PolarHBondContact O-SG 2.94Å; F315-C319 VanDerWaalsContact O-SG 3.38Å; L316-C319 PolarHBondContact O-N 3.1Å; H317-C319 PolarHBondContact O-N 3.43Å; C319-A323 WeakPolarHBondContact O-CB 3.27Å; C319-A323 PolarHBondContact O-N 3.23Å
320M88.1Confident84.8Confident0 Ų038.2 Ų38.20%020%0.2CC..Hα-helixtrans-64-45.7172.7-68.6-63.9-81.500111.2L288 T291 E292 I295 L316 H317 S318 H322 A323 Y324 Y336L288-M320 HydrophobicContact CD2-CE 3.77Å; L288-M320 HydrophobicContact CD2-SD 3.52Å; L288-M320 VanDerWaalsContact CD2-SD 3.52Å; T291-M320 HydrophobicContact CG2-CG 3.6Å; T291-M320 HydrophobicContact CG2-SD 3.66Å; E292-M320 HydrophobicContact CG-CE 3.75Å; E292-M320 HydrophobicContact CG-SD 4.29Å; I295-M320 HydrophobicContact CD1-CG 3.97Å; L316-M320 WeakPolarHBondContact O-CG 3.35Å; L316-M320 PolarHBondContact O-N 3.11Å; H317-M320 PolarHBondContact O-N 3.01Å; S318-M320 VanDerWaalsContact C-N 3.32Å; M320-H322 PolarHBondContact O-N 3.42Å; M320-A323 PolarHBondContact O-N 3.33Å; M320-Y324 HydrophobicContact CE-CE2 3.83Å; M320-Y324 VanDerWaalsContact O-CD2 3.22Å; M320-Y324 WeakPolarHBondContact O-CD2 3.44Å; M320-Y324 PolarHBondContact O-N 3.3Å; M320-Y336 HydrophobicContact CB-CD1 3.48Å; M320-Y336 VanDerWaalsContact CB-CD1 3.48Å; M320-Y336 HydrophobicContact CB-CD2 4.06Å; M320-Y336 HydrophobicContact CB-CE1 3.77Å; M320-Y336 HydrophobicContact CB-CE2 4.34Å; M320-Y336 HydrophobicContact CB-CG 3.66Å; M320-Y336 HydrophobicContact CE-CE1 4.24Å; M320-Y336 HydrophobicContact CE-CE2 4.34Å; M320-Y336 HydrophobicContact CG-CD1 4.08Å; M320-Y336 HydrophobicContact CG-CE1 3.92Å
321G85.4Confident85.5Confident0 Ų041.6 Ų41.60%022%0.218CC..Hα-helixtrans-56.8-49.8177.700000112.3H317 S318 A323 Y324 F325 A333 H337H317-G321 PolarHBondContact O-N 3.4Å; S318-G321 PolarHBondContact O-N 3.06Å; G321-A323 PolarHBondContact O-N 2.86Å; G321-Y324 PolarHBondContact O-N 3.29Å; G321-F325 WeakPolarHBondContact O-CB 3.41Å; G321-F325 PolarHBondContact O-N 3.2Å; G321-A333 WeakPolarHBondContact O-CB 3.29Å; G321-H337 VanDerWaalsContact CA-NE2 3.34Å; G321-H337 WeakPolarHBondContact CA-NE2 3.42Å
322H80.8Confident86.2Confident66 Ų6641.1 Ų41.131%0.30622%0.215SC..Hα-helixtrans-58.8-46.7174.5-83.4-69.5000112.5S318 M320 Y324 F325 D326 N359S318-H322 PolarHBondContact O-CD2 3.47Å; S318-H322 VanDerWaalsContact O-CD2 3.26Å; S318-H322 PolarHBondContact O-N 3.26Å; M320-H322 PolarHBondContact O-N 3.42Å; H322-Y324 VanDerWaalsContact C-N 3.3Å; H322-Y324 PolarHBondContact O-N 3.49Å; H322-F325 WeakPolarHBondContact O-CB 3.34Å; H322-F325 PolarHBondContact O-N 3.24Å; H322-D326 VanDerWaalsContact O-CG 3.3Å; H322-D326 PolarHBondContact O-N 3.13Å; H322-N359 PolarHBondContact CE1-OD1 3.34Å; H322-N359 VanDerWaalsContact CE1-OD1 3.29Å; H322-N359 PolarHBondContact NE2-ND2 2.91Å
323A86.1Confident86.5Confident0 Ų040.2 Ų40.20%021%0.21CC..Hα-helixtrans-65.2-34.5-178.400000112.8L279 L288 C319 M320 G321 L327L279-A323 HydrophobicContact CD2-CB 3.93Å; L288-A323 HydrophobicContact CD1-CB 4.42Å; L288-A323 HydrophobicContact CD2-CB 3.55Å; L288-A323 HydrophobicContact CG-CB 3.63Å; C319-A323 WeakPolarHBondContact O-CB 3.27Å; C319-A323 PolarHBondContact O-N 3.23Å; M320-A323 PolarHBondContact O-N 3.33Å; G321-A323 PolarHBondContact O-N 2.86Å; A323-L327 VanDerWaalsContact O-CG 3.26Å; A323-L327 WeakPolarHBondContact O-CG 3.47Å; A323-L327 PolarHBondContact O-N 3.39Å
324Y87.7Confident87Confident26 Ų2640.7 Ų40.710%0.10221%0.213CC..Hα-helixtrans-74.2-34.4173.5-79.3-59.7000112.9L288 M320 G321 H322 L327 G328 E329 K332 Y336L288-Y324 HydrophobicContact CD1-CE1 4.16Å; L288-Y324 HydrophobicContact CD2-CD2 4.12Å; L288-Y324 HydrophobicContact CD2-CE1 4.42Å; L288-Y324 HydrophobicContact CD2-CE2 3.82Å; M320-Y324 HydrophobicContact CE-CE2 3.83Å; M320-Y324 VanDerWaalsContact O-CD2 3.22Å; M320-Y324 WeakPolarHBondContact O-CD2 3.44Å; M320-Y324 PolarHBondContact O-N 3.3Å; G321-Y324 PolarHBondContact O-N 3.29Å; H322-Y324 VanDerWaalsContact C-N 3.3Å; H322-Y324 PolarHBondContact O-N 3.49Å; Y324-L327 HydrophobicContact CD1-CD1 4.3Å; Y324-L327 PolarHBondContact O-N 2.99Å; Y324-G328 PolarHBondContact O-N 2.95Å; Y324-E329 HydrophobicContact CD1-CB 4Å; Y324-E329 PolarHBondContact O-N 2.98Å; Y324-K332 HydrophobicContact CD1-CB 4.08Å; Y324-K332 HydrophobicContact CD1-CD 3.96Å; Y324-K332 HydrophobicContact CD2-CB 4.01Å; Y324-K332 HydrophobicContact CE1-CB 4.49Å; Y324-K332 HydrophobicContact CE1-CD 3.66Å; Y324-K332 HydrophobicContact CE2-CB 4.4Å; Y324-K332 HydrophobicContact CE2-CD 4.41Å; Y324-K332 HydrophobicContact CG-CB 3.84Å; Y324-K332 HydrophobicContact CG-CD 4.48Å; Y324-Y336 AromaticContact CD2-CD2 3.62Å; Y324-Y336 HydrophobicContact CD2-CD2 3.62Å; Y324-Y336 AromaticContact CD2-CE2 3.72Å; Y324-Y336 HydrophobicContact CD2-CE2 3.72Å; Y324-Y336 AromaticContact CE2-CD2 3.74Å; Y324-Y336 HydrophobicContact CE2-CD2 3.74Å; Y324-Y336 AromaticContact CE2-CE2 3.31Å; Y324-Y336 HydrophobicContact CE2-CE2 3.31Å
325F83.4Confident87.7Confident55 Ų5545.8 Ų45.824%0.24124%0.236CC..Hα-helixtrans-59.2-49.2172.5-175.4-93.3000110.7G321 H322 L327 G328 L330 A333 I363 E366G321-F325 WeakPolarHBondContact O-CB 3.41Å; G321-F325 PolarHBondContact O-N 3.2Å; H322-F325 WeakPolarHBondContact O-CB 3.34Å; H322-F325 PolarHBondContact O-N 3.24Å; F325-L327 PolarHBondContact O-N 3.29Å; F325-G328 PolarHBondContact O-N 3.28Å; F325-L330 HydrophobicContact CD2-CD2 3.73Å; F325-L330 HydrophobicContact CE2-CD2 3.95Å; F325-A333 HydrophobicContact CB-CB 4.06Å; F325-I363 HydrophobicContact CD2-CD1 4.42Å; F325-I363 HydrophobicContact CD2-CG1 3.66Å; F325-I363 HydrophobicContact CE2-CG1 3.83Å; F325-E366 HydrophobicContact CE2-CG 3.82Å; F325-E366 HydrophobicContact CZ-CG 3.63Å
326D82Confident88.3Confident89 Ų8944.9 Ų44.948%0.47623%0.231SC..Hα-helixtrans-63.3-26.2177.1-66.4-14.3000113.2T284 H322 G328T284-D326 HydrophobicContact CG2-CB 3.41Å; T284-D326 VanDerWaalsContact CG2-CB 3.41Å; H322-D326 VanDerWaalsContact O-CG 3.3Å; H322-D326 PolarHBondContact O-N 3.13Å; D326-G328 VanDerWaalsContact C-N 3.3Å
327L85.4Confident88.5Confident65 Ų6545 Ų4534%0.3423%0.232SC..THydrogen-bonded Turntrans-81.5-7.6174-73.8171.7000113.3T284 L288 A323 Y324 F325 E329T284-L327 HydrophobicContact CG2-CG 4.46Å; T284-L327 WeakPolarHBondContact OG1-CD2 3.44Å; L288-L327 HydrophobicContact CD1-CD1 3.47Å; L288-L327 VanDerWaalsContact CD1-CD1 3.47Å; A323-L327 VanDerWaalsContact O-CG 3.26Å; A323-L327 WeakPolarHBondContact O-CG 3.47Å; A323-L327 PolarHBondContact O-N 3.39Å; Y324-L327 HydrophobicContact CD1-CD1 4.3Å; Y324-L327 PolarHBondContact O-N 2.99Å; F325-L327 PolarHBondContact O-N 3.29Å; L327-E329 VanDerWaalsContact C-N 3.26Å; L327-E329 HydrophobicContact CB-CG 4.49Å; L327-E329 PolarHBondContact O-N 3.24Å
328G85.5Confident88.8Confident53 Ų5347.5 Ų47.555%0.54624%0.243SC..THydrogen-bonded Turntrans75.98.5-17400000114.3Y324 F325 D326 L330Y324-G328 PolarHBondContact O-N 2.95Å; F325-G328 PolarHBondContact O-N 3.28Å; D326-G328 VanDerWaalsContact C-N 3.3Å; G328-L330 VanDerWaalsContact C-N 3.25Å; G328-L330 PolarHBondContact O-N 2.87Å
329E91.6Very high89.2Confident80 Ų8050.3 Ų50.337%0.37426%0.258SS..  trans-8566.9175.9-66.4-168.3-136.200110.3Y324 L327 D331 K332 A333Y324-E329 HydrophobicContact CD1-CB 4Å; Y324-E329 PolarHBondContact O-N 2.98Å; L327-E329 VanDerWaalsContact C-N 3.26Å; L327-E329 HydrophobicContact CB-CG 4.49Å; L327-E329 PolarHBondContact O-N 3.24Å; E329-D331 VanDerWaalsContact C-N 3.31Å; E329-D331 PolarHBondContact O-N 3.04Å; E329-K332 PolarHBondContact O-N 2.7Å; E329-K332 VanDerWaalsContact O-N 3.17Å; E329-K332 VanDerWaalsContact OE2-CD 3.24Å; E329-K332 WeakPolarHBondContact OE2-CD 3.45Å; E329-K332 WeakPolarHBondContact OE2-CE 3.28Å; E329-K332 IonicContact OE2-NZ 2.71Å; E329-K332 PolarHBondContact OE2-NZ 3.27Å; E329-A333 PolarHBondContact O-N 3.11Å
330L88.7Confident89.5Confident46 Ų4650 Ų5024%0.24126%0.256CS..Hα-helixtrans-59.4-35-170.8-60.5-178.9000114F325 G328 K332 A333 M334 I363 E366 T367F325-L330 HydrophobicContact CD2-CD2 3.73Å; F325-L330 HydrophobicContact CE2-CD2 3.95Å; G328-L330 VanDerWaalsContact C-N 3.25Å; G328-L330 PolarHBondContact O-N 2.87Å; L330-K332 PolarHBondContact O-N 3.14Å; L330-A333 PolarHBondContact O-N 3.33Å; L330-M334 WeakPolarHBondContact O-CB 3.39Å; L330-M334 PolarHBondContact O-N 3.4Å; L330-I363 HydrophobicContact CB-CG2 4.35Å; L330-E366 HydrophobicContact CD1-CB 4.48Å; L330-T367 HydrophobicContact CD1-CG2 3.75Å
331D94.1Very high89.8Confident149 Ų14950.3 Ų50.380%0.79726%0.258SS*.Hα-helixtrans-63.4-41.6178.6-65.6-33.5000111.9E329 E335E329-D331 VanDerWaalsContact C-N 3.31Å; E329-D331 PolarHBondContact O-N 3.04Å; D331-E335 PolarHBondContact O-N 3.38Å; D331-E335 VanDerWaalsContact O-N 3.13Å
332K93.8Very high90.3Very high85 Ų8554.2 Ų54.237%0.3728%0.278SS..Hα-helixtrans-72-41175.9-68.5-174.4-171.7160.70110.9Y324 E329 L330 M334 E335 Y336Y324-K332 HydrophobicContact CD1-CB 4.08Å; Y324-K332 HydrophobicContact CD1-CD 3.96Å; Y324-K332 HydrophobicContact CD2-CB 4.01Å; Y324-K332 HydrophobicContact CE1-CB 4.49Å; Y324-K332 HydrophobicContact CE1-CD 3.66Å; Y324-K332 HydrophobicContact CE2-CB 4.4Å; Y324-K332 HydrophobicContact CE2-CD 4.41Å; Y324-K332 HydrophobicContact CG-CB 3.84Å; Y324-K332 HydrophobicContact CG-CD 4.48Å; E329-K332 PolarHBondContact O-N 2.7Å; E329-K332 VanDerWaalsContact O-N 3.17Å; E329-K332 VanDerWaalsContact OE2-CD 3.24Å; E329-K332 WeakPolarHBondContact OE2-CD 3.45Å; E329-K332 WeakPolarHBondContact OE2-CE 3.28Å; E329-K332 IonicContact OE2-NZ 2.71Å; E329-K332 PolarHBondContact OE2-NZ 3.27Å; L330-K332 PolarHBondContact O-N 3.14Å; K332-M334 PolarHBondContact O-N 3.29Å; K332-E335 PolarHBondContact O-N 2.92Å; K332-Y336 VanDerWaalsContact O-CD2 3.22Å; K332-Y336 WeakPolarHBondContact O-CD2 3.41Å; K332-Y336 PolarHBondContact O-N 2.96Å
333A90.1Very high90.7Very high0 Ų052.3 Ų52.30%027%0.27CS..Hα-helixtrans-55.6-43.8175.700000110.9G321 F325 E329 L330 Y336 H337 I363G321-A333 WeakPolarHBondContact O-CB 3.29Å; F325-A333 HydrophobicContact CB-CB 4.06Å; E329-A333 PolarHBondContact O-N 3.11Å; L330-A333 PolarHBondContact O-N 3.33Å; A333-Y336 PolarHBondContact O-N 3.31Å; A333-H337 PolarHBondContact O-CD2 3.34Å; A333-H337 PolarHBondContact O-N 3.42Å; A333-I363 HydrophobicContact CB-CD1 3.81Å
334M93.9Very high90.9Very high25 Ų2552.3 Ų52.312%0.12327%0.27CS..Hα-helixtrans-59.6-51.7175.3-174.363.280.400111.6L330 K332 Y336 H337 E338 I360 I363 Y364L330-M334 WeakPolarHBondContact O-CB 3.39Å; L330-M334 PolarHBondContact O-N 3.4Å; K332-M334 PolarHBondContact O-N 3.29Å; M334-Y336 VanDerWaalsContact C-N 3.28Å; M334-Y336 PolarHBondContact O-N 3Å; M334-H337 PolarHBondContact O-N 3.37Å; M334-H337 VanDerWaalsContact O-N 3.16Å; M334-E338 HydrophobicContact CG-CG 4.27Å; M334-E338 WeakPolarHBondContact O-CB 3.31Å; M334-E338 WeakPolarHBondContact O-CG 3.2Å; M334-E338 PolarHBondContact O-N 3.48Å; M334-E338 HydrophobicContact SD-CG 4.18Å; M334-I360 HydrophobicContact CE-CG2 4.3Å; M334-I360 HydrophobicContact SD-CG1 4.31Å; M334-I360 HydrophobicContact SD-CG2 3.96Å; M334-I363 HydrophobicContact CB-CD1 4.44Å; M334-I363 HydrophobicContact CE-CB 3.91Å; M334-I363 HydrophobicContact CE-CG2 3.56Å; M334-Y364 HydrophobicContact CE-CD1 4.24Å; M334-Y364 HydrophobicContact CE-CD2 4.16Å; M334-Y364 HydrophobicContact CE-CE1 3.89Å; M334-Y364 HydrophobicContact CE-CE2 3.82Å; M334-Y364 HydrophobicContact CE-CG 4.36Å
335E96.3Very high91.1Very high109 Ų10956.1 Ų56.151%0.50929%0.285SS..Hα-helixtrans-54.5-44.6178.7-175.5-173.6169.300111.9D331 K332 N339D331-E335 PolarHBondContact O-N 3.38Å; D331-E335 VanDerWaalsContact O-N 3.13Å; K332-E335 PolarHBondContact O-N 2.92Å; E335-N339 WeakPolarHBondContact O-CB 3.34Å; E335-N339 VanDerWaalsContact O-CG 3.23Å; E335-N339 PolarHBondContact O-N 2.86Å; E335-N339 PolarHBondContact O-ND2 2.99Å
336Y93.1Very high91.5Very high52 Ų5260.7 Ų60.720%0.20431%0.307CS..Hα-helixtrans-68.9-39.1179.5-82.4-73.8000113H317 M320 Y324 K332 A333 M334 N339 D340H317-Y336 AromaticContact ND1-CD1 3.45Å; H317-Y336 WeakPolarHBondContact ND1-CD1 3.43Å; H317-Y336 AromaticContact ND1-CE1 3.82Å; M320-Y336 HydrophobicContact CB-CD1 3.48Å; M320-Y336 VanDerWaalsContact CB-CD1 3.48Å; M320-Y336 HydrophobicContact CB-CD2 4.06Å; M320-Y336 HydrophobicContact CB-CE1 3.77Å; M320-Y336 HydrophobicContact CB-CE2 4.34Å; M320-Y336 HydrophobicContact CB-CG 3.66Å; M320-Y336 HydrophobicContact CE-CE1 4.24Å; M320-Y336 HydrophobicContact CE-CE2 4.34Å; M320-Y336 HydrophobicContact CG-CD1 4.08Å; M320-Y336 HydrophobicContact CG-CE1 3.92Å; Y324-Y336 AromaticContact CD2-CD2 3.62Å; Y324-Y336 HydrophobicContact CD2-CD2 3.62Å; Y324-Y336 AromaticContact CD2-CE2 3.72Å; Y324-Y336 HydrophobicContact CD2-CE2 3.72Å; Y324-Y336 AromaticContact CE2-CD2 3.74Å; Y324-Y336 HydrophobicContact CE2-CD2 3.74Å; Y324-Y336 AromaticContact CE2-CE2 3.31Å; Y324-Y336 HydrophobicContact CE2-CE2 3.31Å; K332-Y336 VanDerWaalsContact O-CD2 3.22Å; K332-Y336 WeakPolarHBondContact O-CD2 3.41Å; K332-Y336 PolarHBondContact O-N 2.96Å; A333-Y336 PolarHBondContact O-N 3.31Å; M334-Y336 VanDerWaalsContact C-N 3.28Å; M334-Y336 PolarHBondContact O-N 3Å; Y336-N339 PolarHBondContact O-N 3.1Å; Y336-D340 PolarHBondContact O-N 3.14Å
337H91.6Very high91.6Very high2 Ų258.1 Ų58.11%0.00930%0.295CS..Hα-helixtrans-73.7-32.6176.7-69.9-54.2000113.3G321 A333 M334 D340 L341 N359 I360G321-H337 VanDerWaalsContact CA-NE2 3.34Å; G321-H337 WeakPolarHBondContact CA-NE2 3.42Å; A333-H337 PolarHBondContact O-CD2 3.34Å; A333-H337 PolarHBondContact O-N 3.42Å; M334-H337 PolarHBondContact O-N 3.37Å; M334-H337 VanDerWaalsContact O-N 3.16Å; H337-D340 PolarHBondContact O-N 3.05Å; H337-L341 WeakPolarHBondContact O-CB 3.35Å; H337-L341 PolarHBondContact O-N 3.4Å; H337-N359 PolarHBondContact CE1-ND2 3.25Å; H337-N359 VanDerWaalsContact CE1-ND2 3.28Å; H337-I360 HydrophobicContact CB-CD1 4.37Å; H337-I360 HydrophobicContact CB-CG1 3.72Å
338E96.1Very high91.6Very high84 Ų8461.2 Ų61.239%0.39331%0.312SS..Hα-helixtrans-64.2-41.1170.7-75.3-176.4162.600111.4M334 L341 N342 I360M334-E338 HydrophobicContact CG-CG 4.27Å; M334-E338 WeakPolarHBondContact O-CB 3.31Å; M334-E338 WeakPolarHBondContact O-CG 3.2Å; M334-E338 PolarHBondContact O-N 3.48Å; M334-E338 HydrophobicContact SD-CG 4.18Å; E338-L341 PolarHBondContact O-N 3.17Å; E338-N342 WeakPolarHBondContact O-CB 3.45Å; E338-N342 PolarHBondContact O-N 3.42Å; E338-N342 PolarHBondContact O-ND2 3.26Å; E338-N342 VanDerWaalsContact O-ND2 3.13Å; E338-I360 HydrophobicContact CG-CD1 4.46Å
339N94.4Very high91.4Very high64 Ų6460.4 Ų60.434%0.34230%0.296SS..Hα-helixtrans-62.1-42.7174.2-75.2-38.8000112E335 Y336 N342 L343E335-N339 WeakPolarHBondContact O-CB 3.34Å; E335-N339 VanDerWaalsContact O-CG 3.23Å; E335-N339 PolarHBondContact O-N 2.86Å; E335-N339 PolarHBondContact O-ND2 2.99Å; Y336-N339 PolarHBondContact O-N 3.1Å; N339-N342 PolarHBondContact O-N 2.93Å; N339-L343 VanDerWaalsContact O-CB 3.31Å; N339-L343 WeakPolarHBondContact O-CB 3.29Å; N339-L343 PolarHBondContact O-N 3.12Å
340D91.4Very high91Very high0 Ų058.9 Ų58.90%029%0.294CS..Hα-helixtrans-62.4-43.8173.9174.837.3000112.2C314 H317 Y336 H337 L343 S344 R355 A356C314-D340 WeakPolarHBondContact CA-OD1 3.49Å; C314-D340 VanDerWaalsContact CB-OD1 3.3Å; C314-D340 WeakPolarHBondContact CB-OD1 3.43Å; C314-D340 VanDerWaalsContact O-OD1 3.07Å; H317-D340 HydrophobicContact CB-CB 3.91Å; Y336-D340 PolarHBondContact O-N 3.14Å; H337-D340 PolarHBondContact O-N 3.05Å; D340-L343 PolarHBondContact O-N 3.42Å; D340-S344 WeakPolarHBondContact O-CB 3.45Å; D340-S344 PolarHBondContact O-N 3.04Å; D340-S344 PolarHBondContact O-OG 3.49Å; D340-R355 IonicContact OD1-CZ 2.77Å; D340-R355 IonicContact OD1-NH1 2.62Å; D340-R355 IonicContact OD1-NH2 3.09Å; D340-R355 PolarHBondContact OD1-NH2 2.91Å; D340-R355 IonicContact OD2-CZ 3.48Å; D340-R355 IonicContact OD2-NH1 3.69Å; D340-R355 PolarHBondContact OD2-NH1 3.13Å; D340-R355 IonicContact OD2-NH2 2.99Å; D340-A356 HydrophobicContact CB-CB 4.44Å; D340-A356 WeakPolarHBondContact OD2-CB 3.41Å
341L94.2Very high90.5Very high7 Ų762 Ų624%0.03731%0.311CS..Hα-helixtrans-62.7-45.8175.6-178.160.6000112H337 E338 L343 S344 R345 I353 A356 L357 I360 F376H337-L341 WeakPolarHBondContact O-CB 3.35Å; H337-L341 PolarHBondContact O-N 3.4Å; E338-L341 PolarHBondContact O-N 3.17Å; L341-L343 VanDerWaalsContact C-N 3.35Å; L341-L343 PolarHBondContact O-N 3.21Å; L341-S344 WeakPolarHBondContact CA-OG 3.48Å; L341-S344 PolarHBondContact O-N 3.39Å; L341-S344 PolarHBondContact O-OG 2.84Å; L341-R345 HydrophobicContact CD1-CG 4.36Å; L341-R345 WeakPolarHBondContact O-CB 3.42Å; L341-R345 WeakPolarHBondContact O-CG 3.45Å; L341-R345 PolarHBondContact O-N 2.97Å; L341-I353 HydrophobicContact CD1-CG2 4.12Å; L341-A356 HydrophobicContact CB-CB 3.82Å; L341-A356 HydrophobicContact CD1-CB 4.12Å; L341-L357 HydrophobicContact CD1-CD2 3.81Å; L341-L357 HydrophobicContact CD1-CG 3.88Å; L341-L357 HydrophobicContact CD2-CD2 3.82Å; L341-L357 HydrophobicContact CG-CD2 4.5Å; L341-I360 HydrophobicContact CB-CD1 4.11Å; L341-I360 HydrophobicContact CD2-CD1 3.77Å; L341-F376 HydrophobicContact CD2-CE1 4.18Å
342N95.2Very high89.8Confident81 Ų8155.4 Ų55.443%0.43328%0.277SS..Hα-helixtrans-63.3-42.9-180-74.6-31.7000111.5E338 N339 Q346E338-N342 WeakPolarHBondContact O-CB 3.45Å; E338-N342 PolarHBondContact O-N 3.42Å; E338-N342 PolarHBondContact O-ND2 3.26Å; E338-N342 VanDerWaalsContact O-ND2 3.13Å; N339-N342 PolarHBondContact O-N 2.93Å; N342-Q346 VanDerWaalsContact O-CG 3.29Å; N342-Q346 WeakPolarHBondContact O-CG 3.45Å; N342-Q346 PolarHBondContact O-N 2.99Å
343L90.3Very high89.5Confident26 Ų2651.6 Ų51.614%0.13626%0.26CS..Hα-helixtrans-73.6-38.7-179.8-16763.8000112D310 M313 C314 N339 D340 L341 R345 Q346 C347D310-L343 HydrophobicContact CB-CD1 3.98Å; D310-L343 HydrophobicContact CB-CD2 4.31Å; D310-L343 HydrophobicContact CB-CG 4.19Å; D310-L343 VanDerWaalsContact O-CD2 3.23Å; D310-L343 WeakPolarHBondContact O-CD2 3.49Å; M313-L343 HydrophobicContact CB-CD2 3.55Å; C314-L343 VanDerWaalsContact SG-CB 3.57Å; C314-L343 VanDerWaalsContact SG-CG 3.51Å; N339-L343 VanDerWaalsContact O-CB 3.31Å; N339-L343 WeakPolarHBondContact O-CB 3.29Å; N339-L343 PolarHBondContact O-N 3.12Å; D340-L343 PolarHBondContact O-N 3.42Å; L341-L343 VanDerWaalsContact C-N 3.35Å; L341-L343 PolarHBondContact O-N 3.21Å; L343-R345 VanDerWaalsContact C-N 3.35Å; L343-R345 PolarHBondContact O-N 2.75Å; L343-Q346 WeakPolarHBondContact O-CB 3.35Å; L343-Q346 PolarHBondContact O-N 3.47Å; L343-Q346 VanDerWaalsContact O-N 3.12Å; L343-C347 PolarHBondContact O-N 3.42Å; L343-C347 PolarHBondContact O-SG 3.01Å
344S89.8Confident89.3Confident0 Ų051.9 Ų51.90%026%0.262CS..Hα-helixtrans-66.4-35.1177.756.40000112.6C314 D340 L341 C347 D348 V349C314-S344 PolarHBondContact SG-N 3.46Å; C314-S344 VanDerWaalsContact SG-N 3.39Å; D340-S344 WeakPolarHBondContact O-CB 3.45Å; D340-S344 PolarHBondContact O-N 3.04Å; D340-S344 PolarHBondContact O-OG 3.49Å; L341-S344 WeakPolarHBondContact CA-OG 3.48Å; L341-S344 PolarHBondContact O-N 3.39Å; L341-S344 PolarHBondContact O-OG 2.84Å; S344-C347 PolarHBondContact O-N 3.43Å; S344-D348 PolarHBondContact O-N 3.31Å; S344-V349 PolarHBondContact O-N 3.39Å
345R92.3Very high88.7Confident107 Ų10753.9 Ų53.940%0.40427%0.268SS..Hα-helixtrans-65.9-36169.6-75.7176.8173.2164.7-1.3112.9L341 L343 I353 E379L341-R345 HydrophobicContact CD1-CG 4.36Å; L341-R345 WeakPolarHBondContact O-CB 3.42Å; L341-R345 WeakPolarHBondContact O-CG 3.45Å; L341-R345 PolarHBondContact O-N 2.97Å; L343-R345 VanDerWaalsContact C-N 3.35Å; L343-R345 PolarHBondContact O-N 2.75Å; R345-I353 HydrophobicContact CG-CD1 4.16Å; R345-I353 HydrophobicContact CG-CG1 4.17Å; R345-E379 IonicContact CZ-OE1 3.53Å; R345-E379 IonicContact NH2-OE1 3.05Å; R345-E379 PolarHBondContact NH2-OE1 3.34Å; R345-E379 IonicContact NH2-OE2 2.64Å; R345-E379 PolarHBondContact NH2-OE2 3.49Å
346Q91.1Very high88.3Confident151 Ų15148.7 Ų48.771%0.70624%0.244SC*.Hα-helixtrans-69.2-36.2175.5-72.3170.523.500112.1N342 L343 D348N342-Q346 VanDerWaalsContact O-CG 3.29Å; N342-Q346 WeakPolarHBondContact O-CG 3.45Å; N342-Q346 PolarHBondContact O-N 2.99Å; L343-Q346 WeakPolarHBondContact O-CB 3.35Å; L343-Q346 PolarHBondContact O-N 3.47Å; L343-Q346 VanDerWaalsContact O-N 3.12Å; Q346-D348 VanDerWaalsContact C-N 3.34Å
347C84.1Confident88Confident35 Ų3546.2 Ų46.224%0.23623%0.234CC..Hα-helixtrans-83.6-9.3179.9-590000113.7D310 L343 S344 V349D310-C347 WeakPolarHBondContact CB-SG 3.4Å; L343-C347 PolarHBondContact O-N 3.42Å; L343-C347 PolarHBondContact O-SG 3.01Å; S344-C347 PolarHBondContact O-N 3.43Å; C347-V349 HydrophobicContact CB-CG2 3.82Å
348D86.9Confident87.6Confident130 Ų13046.5 Ų46.570%0.69524%0.237SC*.THydrogen-bonded Turntrans5352.4-174.8-163.426.9000112.5S344 Q346 P350S344-D348 PolarHBondContact O-N 3.31Å; Q346-D348 VanDerWaalsContact C-N 3.34Å; D348-P350 WeakPolarHBondContact O-CD 3.36Å
349V80.9Confident87.1Confident35 Ų3543.5 Ų43.521%0.21222%0.224CC..  trans-11096.1178.5-176.70000109.8E311 S344 C347 D351 A352 I353E311-V349 HydrophobicContact CG-CG2 4.04Å; S344-V349 PolarHBondContact O-N 3.39Å; C347-V349 HydrophobicContact CB-CG2 3.82Å; V349-D351 VanDerWaalsContact C-N 3.32Å; V349-D351 PolarHBondContact O-N 3.2Å; V349-A352 HydrophobicContact CB-CB 4.05Å; V349-A352 HydrophobicContact CG1-CB 3.81Å; V349-A352 PolarHBondContact O-N 3.01Å; V349-A352 VanDerWaalsContact O-N 3.1Å; V349-I353 WeakPolarHBondContact O-CG1 3.49Å; V349-I353 PolarHBondContact O-N 3.29Å
350P83.3Confident86.8Confident49 Ų4940.5 Ų40.532%0.31821%0.208SC..Hα-helixtrans-55.3-41-174.1-29.536.5000114.4D348 A352 I353 S354 Y383D348-P350 WeakPolarHBondContact O-CD 3.36Å; P350-A352 VanDerWaalsContact C-N 3.32Å; P350-A352 PolarHBondContact O-N 3.37Å; P350-I353 PolarHBondContact O-N 3.04Å; P350-S354 WeakPolarHBondContact O-CB 3.49Å; P350-S354 PolarHBondContact O-N 3.35Å; P350-Y383 HydrophobicContact CB-CD1 4.23Å
351D77.8Confident86.5Confident112 Ų11240.5 Ų40.560%0.59921%0.208SC*.Hα-helixtrans-64.7-37.5-179.4-62.3-23.5000111.8V349 R355V349-D351 VanDerWaalsContact C-N 3.32Å; V349-D351 PolarHBondContact O-N 3.2Å; D351-R355 WeakPolarHBondContact O-CB 3.15Å; D351-R355 PolarHBondContact O-N 3.48Å
352A78.9Confident86Confident10 Ų1041.5 Ų41.58%0.08322%0.215CC..Hα-helixtrans-72.7-38.4177.200000111.7V349 P350 R355 A356V349-A352 HydrophobicContact CB-CB 4.05Å; V349-A352 HydrophobicContact CG1-CB 3.81Å; V349-A352 PolarHBondContact O-N 3.01Å; V349-A352 VanDerWaalsContact O-N 3.1Å; P350-A352 VanDerWaalsContact C-N 3.32Å; P350-A352 PolarHBondContact O-N 3.37Å; A352-R355 PolarHBondContact O-N 3.13Å; A352-A356 WeakPolarHBondContact O-CB 3.19Å; A352-A356 PolarHBondContact O-N 2.98Å
353I87.6Confident85.4Confident5 Ų537.9 Ų37.93%0.02620%0.195CC..Hα-helixtrans-60.3-48.3172.6-64168.6000109.7L341 R345 V349 P350 R355 A356 L357 Y383L341-I353 HydrophobicContact CD1-CG2 4.12Å; R345-I353 HydrophobicContact CG-CD1 4.16Å; R345-I353 HydrophobicContact CG-CG1 4.17Å; V349-I353 WeakPolarHBondContact O-CG1 3.49Å; V349-I353 PolarHBondContact O-N 3.29Å; P350-I353 PolarHBondContact O-N 3.04Å; I353-R355 VanDerWaalsContact C-N 3.35Å; I353-R355 PolarHBondContact O-N 3.42Å; I353-A356 PolarHBondContact O-N 2.88Å; I353-L357 HydrophobicContact CG2-CD1 3.77Å; I353-L357 HydrophobicContact CG2-CG 4.29Å; I353-L357 VanDerWaalsContact O-CG 3.3Å; I353-L357 WeakPolarHBondContact O-CG 3.49Å; I353-L357 PolarHBondContact O-N 3.47Å; I353-Y383 HydrophobicContact CD1-CE1 4.26Å; I353-Y383 HydrophobicContact CG2-CD1 4.26Å; I353-Y383 HydrophobicContact CG2-CD2 3.99Å; I353-Y383 HydrophobicContact CG2-CE1 4.18Å; I353-Y383 HydrophobicContact CG2-CE2 3.9Å; I353-Y383 HydrophobicContact CG2-CG 4.17Å
354S85.1Confident85.4Confident5 Ų538.1 Ų38.14%0.03520%0.195CC..Hα-helixtrans-56.2-48.5178.4177.80000111.9P350 A358 R380P350-S354 WeakPolarHBondContact O-CB 3.49Å; P350-S354 PolarHBondContact O-N 3.35Å; S354-A358 PolarHBondContact O-N 2.88Å; S354-A358 VanDerWaalsContact O-N 3.09Å; S354-R380 WeakPolarHBondContact O-CD 3.39Å; S354-R380 PolarHBondContact O-NE 3.32Å; S354-R380 VanDerWaalsContact O-NE 3.1Å; S354-R380 PolarHBondContact OG-NE 2.88Å
355R83.4Confident85Confident67 Ų6739.1 Ų39.125%0.25320%0.203SC..Hα-helixtrans-63-43.9179.2-175.7178.647.355.14.8112.3S318 D340 D351 A352 I353 A358 N359S318-R355 PolarHBondContact OG-NH1 3.15Å; D340-R355 IonicContact OD1-CZ 2.77Å; D340-R355 IonicContact OD1-NH1 2.62Å; D340-R355 IonicContact OD1-NH2 3.09Å; D340-R355 PolarHBondContact OD1-NH2 2.91Å; D340-R355 IonicContact OD2-CZ 3.48Å; D340-R355 IonicContact OD2-NH1 3.69Å; D340-R355 PolarHBondContact OD2-NH1 3.13Å; D340-R355 IonicContact OD2-NH2 2.99Å; D351-R355 WeakPolarHBondContact O-CB 3.15Å; D351-R355 PolarHBondContact O-N 3.48Å; A352-R355 PolarHBondContact O-N 3.13Å; I353-R355 VanDerWaalsContact C-N 3.35Å; I353-R355 PolarHBondContact O-N 3.42Å; R355-A358 PolarHBondContact O-N 3.46Å; R355-N359 PolarHBondContact O-N 3.31Å; R355-N359 PolarHBondContact O-ND2 3.05Å
356A86.1Confident84.5Confident0 Ų040.1 Ų40.10%021%0.212CC..Hα-helixtrans-65.7-45.3179.900000112.1D340 L341 A352 I353 A358 N359 I360D340-A356 HydrophobicContact CB-CB 4.44Å; D340-A356 WeakPolarHBondContact OD2-CB 3.41Å; L341-A356 HydrophobicContact CB-CB 3.82Å; L341-A356 HydrophobicContact CD1-CB 4.12Å; A352-A356 WeakPolarHBondContact O-CB 3.19Å; A352-A356 PolarHBondContact O-N 2.98Å; I353-A356 PolarHBondContact O-N 2.88Å; A356-A358 VanDerWaalsContact C-N 3.32Å; A356-A358 PolarHBondContact O-N 3.25Å; A356-N359 PolarHBondContact O-N 3.43Å; A356-I360 WeakPolarHBondContact O-CG1 3.48Å; A356-I360 PolarHBondContact O-N 3.23Å
357L88.4Confident84.3Confident0 Ų035.5 Ų35.50%020%0.195CC..Hα-helixtrans-60.4-40.4176.4-68.7172.2000112L341 I353 G361 F376 E379 R380 Y383L341-L357 HydrophobicContact CD1-CD2 3.81Å; L341-L357 HydrophobicContact CD1-CG 3.88Å; L341-L357 HydrophobicContact CD2-CD2 3.82Å; L341-L357 HydrophobicContact CG-CD2 4.5Å; I353-L357 HydrophobicContact CG2-CD1 3.77Å; I353-L357 HydrophobicContact CG2-CG 4.29Å; I353-L357 VanDerWaalsContact O-CG 3.3Å; I353-L357 WeakPolarHBondContact O-CG 3.49Å; I353-L357 PolarHBondContact O-N 3.47Å; L357-G361 PolarHBondContact O-N 2.92Å; L357-F376 HydrophobicContact CD2-CD1 3.65Å; L357-F376 HydrophobicContact CD2-CE1 4.26Å; L357-E379 HydrophobicContact CD1-CB 4.31Å; L357-E379 HydrophobicContact CD1-CG 4.39Å; L357-R380 HydrophobicContact CB-CB 3.89Å; L357-R380 HydrophobicContact CB-CG 4.21Å; L357-R380 HydrophobicContact CD1-CB 4.02Å; L357-Y383 HydrophobicContact CD1-CD2 4.1Å; L357-Y383 HydrophobicContact CD1-CE2 4.15Å
358A82.8Confident84.4Confident8 Ų841.5 Ų41.57%0.06622%0.217CC..Hα-helixtrans-58.9-50.5176.600000111.7S354 R355 A356 G361 C362 W377S354-A358 PolarHBondContact O-N 2.88Å; S354-A358 VanDerWaalsContact O-N 3.09Å; R355-A358 PolarHBondContact O-N 3.46Å; A356-A358 VanDerWaalsContact C-N 3.32Å; A356-A358 PolarHBondContact O-N 3.25Å; A358-G361 PolarHBondContact O-N 3.44Å; A358-C362 PolarHBondContact O-N 2.95Å; A358-C362 PolarHBondContact O-SG 3.36Å; A358-C362 VanDerWaalsContact O-SG 3.37Å; A358-W377 PolarHBondContact O-NE1 3.05Å; A358-W377 VanDerWaalsContact O-NE1 3.13Å
359N84.3Confident84.6Confident22 Ų2238.7 Ų38.712%0.11820%0.199CC..Hα-helixtrans-66.8-39.6-176.9-72.1-23000112.6H322 H337 R355 A356 G361 C362 I363H322-N359 PolarHBondContact CE1-OD1 3.34Å; H322-N359 VanDerWaalsContact CE1-OD1 3.29Å; H322-N359 PolarHBondContact NE2-ND2 2.91Å; H337-N359 PolarHBondContact CE1-ND2 3.25Å; H337-N359 VanDerWaalsContact CE1-ND2 3.28Å; R355-N359 PolarHBondContact O-N 3.31Å; R355-N359 PolarHBondContact O-ND2 3.05Å; A356-N359 PolarHBondContact O-N 3.43Å; N359-G361 VanDerWaalsContact C-N 3.35Å; N359-C362 WeakPolarHBondContact O-CB 3.26Å; N359-C362 PolarHBondContact O-N 3.36Å; N359-I363 WeakPolarHBondContact O-CG1 3.38Å; N359-I363 PolarHBondContact O-N 2.85Å; N359-I363 VanDerWaalsContact O-N 3.13Å
360I89.8Confident85Confident1 Ų138.7 Ų38.71%0.00520%0.197CC..Hα-helixtrans-62.6-44.3174.3-68.4168.3000110.5M334 H337 E338 L341 A356 C362 I363 Y364 F376M334-I360 HydrophobicContact CE-CG2 4.3Å; M334-I360 HydrophobicContact SD-CG1 4.31Å; M334-I360 HydrophobicContact SD-CG2 3.96Å; H337-I360 HydrophobicContact CB-CD1 4.37Å; H337-I360 HydrophobicContact CB-CG1 3.72Å; E338-I360 HydrophobicContact CG-CD1 4.46Å; L341-I360 HydrophobicContact CB-CD1 4.11Å; L341-I360 HydrophobicContact CD2-CD1 3.77Å; A356-I360 WeakPolarHBondContact O-CG1 3.48Å; A356-I360 PolarHBondContact O-N 3.23Å; I360-C362 VanDerWaalsContact C-N 3.32Å; I360-C362 PolarHBondContact O-N 3.17Å; I360-I363 PolarHBondContact O-N 3.12Å; I360-I363 VanDerWaalsContact O-N 3.15Å; I360-Y364 HydrophobicContact CG2-CD2 3.76Å; I360-Y364 HydrophobicContact CG2-CE2 3.56Å; I360-Y364 WeakPolarHBondContact O-CD2 3.37Å; I360-Y364 PolarHBondContact O-N 3.22Å; I360-F376 HydrophobicContact CB-CD1 4.17Å; I360-F376 HydrophobicContact CB-CE1 4.47Å; I360-F376 HydrophobicContact CD1-CD1 4.49Å; I360-F376 HydrophobicContact CD1-CE1 4.22Å; I360-F376 HydrophobicContact CG2-CD1 3.64Å; I360-F376 HydrophobicContact CG2-CD2 4.05Å; I360-F376 HydrophobicContact CG2-CE1 3.71Å; I360-F376 HydrophobicContact CG2-CE2 4.12Å; I360-F376 HydrophobicContact CG2-CG 3.83Å; I360-F376 HydrophobicContact CG2-CZ 3.95Å
361G85.1Confident85.5Confident0 Ų041.5 Ų41.50%021%0.205CC..Hα-helixtrans-61.1-39.2176.500000112.6L357 A358 N359 I363 Y364 A365 A373 W377L357-G361 PolarHBondContact O-N 2.92Å; A358-G361 PolarHBondContact O-N 3.44Å; N359-G361 VanDerWaalsContact C-N 3.35Å; G361-I363 PolarHBondContact O-N 3.35Å; G361-Y364 PolarHBondContact O-N 2.66Å; G361-A365 PolarHBondContact O-N 3.2Å; G361-A373 WeakPolarHBondContact O-CB 3.45Å; G361-W377 VanDerWaalsContact C-CZ2 3.44Å
362C82.1Confident86.3Confident28 Ų2840.2 Ų40.219%0.18919%0.194CC..Hα-helixtrans-58.6-44172.5-69.30000112.4A358 N359 I360 Y364 A365 E366 W392A358-C362 PolarHBondContact O-N 2.95Å; A358-C362 PolarHBondContact O-SG 3.36Å; A358-C362 VanDerWaalsContact O-SG 3.37Å; N359-C362 WeakPolarHBondContact O-CB 3.26Å; N359-C362 PolarHBondContact O-N 3.36Å; I360-C362 VanDerWaalsContact C-N 3.32Å; I360-C362 PolarHBondContact O-N 3.17Å; C362-Y364 VanDerWaalsContact C-N 3.34Å; C362-Y364 PolarHBondContact O-N 2.91Å; C362-A365 PolarHBondContact O-N 3.48Å; C362-E366 WeakPolarHBondContact O-CG 3.23Å; C362-E366 PolarHBondContact O-N 3.45Å; C362-W392 VanDerWaalsContact SG-CH2 3.57Å
363I83.9Confident86.7Confident4 Ų439.8 Ų39.82%0.02119%0.191CC..Hα-helixtrans-64.2-40.5178.2-64.6166.6000111.3F325 L330 A333 M334 N359 I360 G361 A365 E366 T367F325-I363 HydrophobicContact CD2-CD1 4.42Å; F325-I363 HydrophobicContact CD2-CG1 3.66Å; F325-I363 HydrophobicContact CE2-CG1 3.83Å; L330-I363 HydrophobicContact CB-CG2 4.35Å; A333-I363 HydrophobicContact CB-CD1 3.81Å; M334-I363 HydrophobicContact CB-CD1 4.44Å; M334-I363 HydrophobicContact CE-CB 3.91Å; M334-I363 HydrophobicContact CE-CG2 3.56Å; N359-I363 WeakPolarHBondContact O-CG1 3.38Å; N359-I363 PolarHBondContact O-N 2.85Å; N359-I363 VanDerWaalsContact O-N 3.13Å; I360-I363 PolarHBondContact O-N 3.12Å; I360-I363 VanDerWaalsContact O-N 3.15Å; G361-I363 PolarHBondContact O-N 3.35Å; I363-A365 VanDerWaalsContact C-N 3.34Å; I363-E366 PolarHBondContact O-N 3.22Å; I363-T367 WeakPolarHBondContact O-CG2 3.31Å; I363-T367 PolarHBondContact O-N 2.76Å; I363-T367 PolarHBondContact O-OG1 2.69Å
364Y89.1Confident86.8Confident32 Ų3239.9 Ų39.913%0.12519%0.191CC..Hα-helixtrans-64.8-38.5175-78.6-55.1000112.5M334 I360 G361 C362 T367 K368 Q369 K372 F376M334-Y364 HydrophobicContact CE-CD1 4.24Å; M334-Y364 HydrophobicContact CE-CD2 4.16Å; M334-Y364 HydrophobicContact CE-CE1 3.89Å; M334-Y364 HydrophobicContact CE-CE2 3.82Å; M334-Y364 HydrophobicContact CE-CG 4.36Å; I360-Y364 HydrophobicContact CG2-CD2 3.76Å; I360-Y364 HydrophobicContact CG2-CE2 3.56Å; I360-Y364 WeakPolarHBondContact O-CD2 3.37Å; I360-Y364 PolarHBondContact O-N 3.22Å; G361-Y364 PolarHBondContact O-N 2.66Å; C362-Y364 VanDerWaalsContact C-N 3.34Å; C362-Y364 PolarHBondContact O-N 2.91Å; Y364-T367 WeakPolarHBondContact CA-OG1 3.44Å; Y364-T367 CarbonylContact O-C 3.6Å; Y364-T367 PolarHBondContact O-N 3.4Å; Y364-T367 PolarHBondContact O-OG1 3.47Å; Y364-T367 VanDerWaalsContact O-OG1 3.12Å; Y364-K368 PolarHBondContact O-N 3.23Å; Y364-K368 VanDerWaalsContact O-N 3.17Å; Y364-Q369 HydrophobicContact CD1-CB 3.92Å; Y364-Q369 PolarHBondContact O-N 3.18Å; Y364-K372 HydrophobicContact CD1-CB 3.92Å; Y364-K372 HydrophobicContact CD1-CD 3.89Å; Y364-K372 HydrophobicContact CD2-CB 3.93Å; Y364-K372 HydrophobicContact CE1-CB 4.24Å; Y364-K372 HydrophobicContact CE1-CD 3.54Å; Y364-K372 HydrophobicContact CE2-CB 4.22Å; Y364-K372 HydrophobicContact CE2-CD 4.5Å; Y364-K372 HydrophobicContact CG-CB 3.77Å; Y364-F376 AromaticContact CD2-CD2 3.89Å; Y364-F376 HydrophobicContact CD2-CD2 3.89Å; Y364-F376 HydrophobicContact CD2-CE2 4.11Å; Y364-F376 AromaticContact CE2-CD2 3.71Å; Y364-F376 HydrophobicContact CE2-CD2 3.71Å; Y364-F376 AromaticContact CE2-CE2 3.44Å; Y364-F376 HydrophobicContact CE2-CE2 3.44Å; Y364-F376 VanDerWaalsContact CE2-CE2 3.44Å; Y364-F376 HydrophobicContact CE2-CZ 4.18Å
365A82.7Confident87.3Confident21 Ų2145.5 Ų45.517%0.17422%0.217CC..Hα-helixtrans-63.9-45.2174.800000112G361 C362 I363 T367 K368 A373 W377G361-A365 PolarHBondContact O-N 3.2Å; C362-A365 PolarHBondContact O-N 3.48Å; I363-A365 VanDerWaalsContact C-N 3.34Å; A365-T367 VanDerWaalsContact C-N 3.28Å; A365-T367 PolarHBondContact O-N 3.08Å; A365-K368 WeakPolarHBondContact O-CA 3.3Å; A365-K368 PolarHBondContact O-N 3.07Å; A365-A373 HydrophobicContact CB-CB 4.14Å; A365-W377 HydrophobicContact CB-CH2 3.74Å; A365-W377 HydrophobicContact CB-CZ2 4.25Å
366E81.3Confident87.5Confident127 Ų12744.3 Ų44.359%0.59321%0.213SC*.Hα-helixtrans-61.1-36.7175.6-73.8-57.7146.300112.5F325 L330 C362 I363 K368F325-E366 HydrophobicContact CE2-CG 3.82Å; F325-E366 HydrophobicContact CZ-CG 3.63Å; L330-E366 HydrophobicContact CD1-CB 4.48Å; C362-E366 WeakPolarHBondContact O-CG 3.23Å; C362-E366 PolarHBondContact O-N 3.45Å; I363-E366 PolarHBondContact O-N 3.22Å; E366-K368 PolarHBondContact O-N 3.34Å
367T86.6Confident87.6Confident55 Ų5544.4 Ų44.434%0.33721%0.214SC..THydrogen-bonded Turntrans-82.47.517559.70000113.7L330 I363 Y364 A365 Q369L330-T367 HydrophobicContact CD1-CG2 3.75Å; I363-T367 WeakPolarHBondContact O-CG2 3.31Å; I363-T367 PolarHBondContact O-N 2.76Å; I363-T367 PolarHBondContact O-OG1 2.69Å; Y364-T367 WeakPolarHBondContact CA-OG1 3.44Å; Y364-T367 CarbonylContact O-C 3.6Å; Y364-T367 PolarHBondContact O-N 3.4Å; Y364-T367 PolarHBondContact O-OG1 3.47Å; Y364-T367 VanDerWaalsContact O-OG1 3.12Å; A365-T367 VanDerWaalsContact C-N 3.28Å; A365-T367 PolarHBondContact O-N 3.08Å; T367-Q369 PolarHBondContact O-N 2.94Å; T367-Q369 PolarHBondContact OG1-NE2 3.16Å
368K86.5Confident87.6Confident161 Ų16148 Ų4870%0.723%0.231SC*.THydrogen-bonded Turntrans59.323.9-179.6-52.8-172.9177.7-168.20114.8Y364 A365 E366 F370Y364-K368 PolarHBondContact O-N 3.23Å; Y364-K368 VanDerWaalsContact O-N 3.17Å; A365-K368 WeakPolarHBondContact O-CA 3.3Å; A365-K368 PolarHBondContact O-N 3.07Å; E366-K368 PolarHBondContact O-N 3.34Å; K368-F370 VanDerWaalsContact C-N 3.3Å; K368-F370 HydrophobicContact CB-CE2 4.04Å; K368-F370 HydrophobicContact CB-CZ 3.97Å; K368-F370 HydrophobicContact CG-CZ 4.15Å; K368-F370 PolarHBondContact O-N 3.27Å
369Q91.8Very high88Confident71 Ų7151 Ų5133%0.33224%0.243SC..  trans-92.266.8171.4-71.2176.777.900109.1Y364 T367 E371 K372 A373Y364-Q369 HydrophobicContact CD1-CB 3.92Å; Y364-Q369 PolarHBondContact O-N 3.18Å; T367-Q369 PolarHBondContact O-N 2.94Å; T367-Q369 PolarHBondContact OG1-NE2 3.16Å; Q369-E371 VanDerWaalsContact C-N 3.33Å; Q369-E371 PolarHBondContact O-N 3.48Å; Q369-K372 HydrophobicContact CB-CD 4.49Å; Q369-K372 PolarHBondContact O-N 3.42Å; Q369-A373 PolarHBondContact O-N 3.45Å; Q369-A373 VanDerWaalsContact O-N 3.1Å
370F88.9Confident88.1Confident35 Ų3550.4 Ų50.415%0.15424%0.239CC..Hα-helixtrans-62.3-36.1-169.2-58.8-59.8000113.4K368 K372 A373 I374 C400 E403 L404K368-F370 VanDerWaalsContact C-N 3.3Å; K368-F370 HydrophobicContact CB-CE2 4.04Å; K368-F370 HydrophobicContact CB-CZ 3.97Å; K368-F370 HydrophobicContact CG-CZ 4.15Å; K368-F370 PolarHBondContact O-N 3.27Å; F370-K372 VanDerWaalsContact C-N 3.34Å; F370-K372 PolarHBondContact O-N 2.92Å; F370-A373 PolarHBondContact O-N 2.84Å; F370-I374 WeakPolarHBondContact O-CD1 3.45Å; F370-I374 VanDerWaalsContact O-CG1 3.25Å; F370-I374 WeakPolarHBondContact O-CG1 3.34Å; F370-I374 PolarHBondContact O-N 3.29Å; F370-C400 HydrophobicContact CB-CB 4.06Å; F370-C400 HydrophobicContact CD1-CB 4.24Å; F370-C400 HydrophobicContact CG-CB 4.47Å; F370-E403 HydrophobicContact CD2-CB 3.89Å; F370-E403 HydrophobicContact CE1-CB 4.33Å; F370-E403 HydrophobicContact CE1-CG 4.28Å; F370-E403 HydrophobicContact CE2-CB 3.59Å; F370-E403 HydrophobicContact CE2-CG 4.17Å; F370-E403 HydrophobicContact CG-CB 4.37Å; F370-E403 HydrophobicContact CZ-CB 3.83Å; F370-E403 HydrophobicContact CZ-CG 3.88Å; F370-L404 HydrophobicContact CB-CD1 3.98Å; F370-L404 HydrophobicContact CB-CD2 3.96Å; F370-L404 HydrophobicContact CB-CG 3.83Å; F370-L404 HydrophobicContact CD2-CD2 4.16Å; F370-L404 HydrophobicContact CD2-CG 4.45Å
371E93.9Very high87.7Confident108 Ų10853 Ų5351%0.50525%0.253SS..Hα-helixtrans-61.2-44178.1-6386167.800111.6Q369 I374 E375 L404Q369-E371 VanDerWaalsContact C-N 3.33Å; Q369-E371 PolarHBondContact O-N 3.48Å; E371-I374 PolarHBondContact O-N 3.25Å; E371-E375 WeakPolarHBondContact O-CG 3.42Å; E371-E375 PolarHBondContact O-N 3.04Å; E371-L404 VanDerWaalsContact CD-CD2 3.49Å; E371-L404 HydrophobicContact CG-CD1 3.92Å; E371-L404 HydrophobicContact CG-CD2 4.33Å; E371-L404 WeakPolarHBondContact OE1-CD2 3.49Å
372K93.1Very high87.7Confident85 Ų8557.8 Ų57.837%0.3728%0.284SS..Hα-helixtrans-68.2-40.4177-67-176.7-175.9169.30111.5Y364 Q369 F370 I374 E375 F376Y364-K372 HydrophobicContact CD1-CB 3.92Å; Y364-K372 HydrophobicContact CD1-CD 3.89Å; Y364-K372 HydrophobicContact CD2-CB 3.93Å; Y364-K372 HydrophobicContact CE1-CB 4.24Å; Y364-K372 HydrophobicContact CE1-CD 3.54Å; Y364-K372 HydrophobicContact CE2-CB 4.22Å; Y364-K372 HydrophobicContact CE2-CD 4.5Å; Y364-K372 HydrophobicContact CG-CB 3.77Å; Q369-K372 HydrophobicContact CB-CD 4.49Å; Q369-K372 PolarHBondContact O-N 3.42Å; F370-K372 VanDerWaalsContact C-N 3.34Å; F370-K372 PolarHBondContact O-N 2.92Å; K372-I374 VanDerWaalsContact C-N 3.25Å; K372-I374 PolarHBondContact O-N 3.36Å; K372-E375 PolarHBondContact O-N 3.42Å; K372-F376 WeakPolarHBondContact O-CD2 3.47Å; K372-F376 PolarHBondContact O-N 3.3Å; K372-F376 VanDerWaalsContact O-N 3.11Å
373A88.5Confident87.6Confident0 Ų059.9 Ų59.90%029%0.288CS..Hα-helixtrans-56-45.2176.300000111.2G361 A365 Q369 F370 F376 W377G361-A373 WeakPolarHBondContact O-CB 3.45Å; A365-A373 HydrophobicContact CB-CB 4.14Å; Q369-A373 PolarHBondContact O-N 3.45Å; Q369-A373 VanDerWaalsContact O-N 3.1Å; F370-A373 PolarHBondContact O-N 2.84Å; A373-F376 PolarHBondContact O-N 3.35Å; A373-W377 HydrophobicContact CB-CE3 4.3Å; A373-W377 HydrophobicContact CB-CH2 4.26Å; A373-W377 HydrophobicContact CB-CZ3 4.1Å; A373-W377 WeakPolarHBondContact O-CB 3.41Å; A373-W377 PolarHBondContact O-N 3.18Å
374I90.4Very high86.9Confident7 Ų760.6 Ų60.64%0.03629%0.292CS..Hα-helixtrans-62.4-46.6176.9-65163.2000111.1F370 E371 K372 F376 W377 E378 I397 C400 Y401 L404F370-I374 WeakPolarHBondContact O-CD1 3.45Å; F370-I374 VanDerWaalsContact O-CG1 3.25Å; F370-I374 WeakPolarHBondContact O-CG1 3.34Å; F370-I374 PolarHBondContact O-N 3.29Å; E371-I374 PolarHBondContact O-N 3.25Å; K372-I374 VanDerWaalsContact C-N 3.25Å; K372-I374 PolarHBondContact O-N 3.36Å; I374-F376 VanDerWaalsContact C-N 3.33Å; I374-F376 PolarHBondContact O-N 3.39Å; I374-W377 PolarHBondContact O-N 3.16Å; I374-E378 HydrophobicContact CG2-CG 4.02Å; I374-E378 WeakPolarHBondContact O-CB 3.28Å; I374-E378 WeakPolarHBondContact O-CG 3.2Å; I374-E378 PolarHBondContact O-N 2.64Å; I374-I397 HydrophobicContact CG1-CG2 4.29Å; I374-I397 HydrophobicContact CG2-CG2 4.21Å; I374-C400 HydrophobicContact CD1-CB 3.72Å; I374-C400 HydrophobicContact CG1-CB 3.76Å; I374-Y401 HydrophobicContact CD1-CD1 4.03Å; I374-Y401 HydrophobicContact CD1-CD2 4.19Å; I374-Y401 HydrophobicContact CD1-CE1 3.81Å; I374-Y401 HydrophobicContact CD1-CE2 4.02Å; I374-Y401 HydrophobicContact CD1-CG 4.2Å; I374-Y401 HydrophobicContact CG2-CE2 4.23Å; I374-L404 HydrophobicContact CD1-CD1 3.92Å
375E94.3Very high85.4Confident123 Ų12365.8 Ų65.858%0.57532%0.317SS*.Hα-helixtrans-54.9-47.2178.6-73.9173.7-177.700112E371 K372 E379E371-E375 WeakPolarHBondContact O-CG 3.42Å; E371-E375 PolarHBondContact O-N 3.04Å; K372-E375 PolarHBondContact O-N 3.42Å; E375-E379 WeakPolarHBondContact O-CB 3.43Å; E375-E379 PolarHBondContact O-N 2.75Å
376F88.6Confident84.1Confident42 Ų4271 Ų7118%0.18434%0.338CS..Hα-helixtrans-68.9-38.3179.4-83.4-88.3000112.8L341 L357 I360 Y364 K372 A373 I374 R380L341-F376 HydrophobicContact CD2-CE1 4.18Å; L357-F376 HydrophobicContact CD2-CD1 3.65Å; L357-F376 HydrophobicContact CD2-CE1 4.26Å; I360-F376 HydrophobicContact CB-CD1 4.17Å; I360-F376 HydrophobicContact CB-CE1 4.47Å; I360-F376 HydrophobicContact CD1-CD1 4.49Å; I360-F376 HydrophobicContact CD1-CE1 4.22Å; I360-F376 HydrophobicContact CG2-CD1 3.64Å; I360-F376 HydrophobicContact CG2-CD2 4.05Å; I360-F376 HydrophobicContact CG2-CE1 3.71Å; I360-F376 HydrophobicContact CG2-CE2 4.12Å; I360-F376 HydrophobicContact CG2-CG 3.83Å; I360-F376 HydrophobicContact CG2-CZ 3.95Å; Y364-F376 AromaticContact CD2-CD2 3.89Å; Y364-F376 HydrophobicContact CD2-CD2 3.89Å; Y364-F376 HydrophobicContact CD2-CE2 4.11Å; Y364-F376 AromaticContact CE2-CD2 3.71Å; Y364-F376 HydrophobicContact CE2-CD2 3.71Å; Y364-F376 AromaticContact CE2-CE2 3.44Å; Y364-F376 HydrophobicContact CE2-CE2 3.44Å; Y364-F376 VanDerWaalsContact CE2-CE2 3.44Å; Y364-F376 HydrophobicContact CE2-CZ 4.18Å; K372-F376 WeakPolarHBondContact O-CD2 3.47Å; K372-F376 PolarHBondContact O-N 3.3Å; K372-F376 VanDerWaalsContact O-N 3.11Å; A373-F376 PolarHBondContact O-N 3.35Å; I374-F376 VanDerWaalsContact C-N 3.33Å; I374-F376 PolarHBondContact O-N 3.39Å; F376-R380 PolarHBondContact O-N 3.26Å
377W87.1Confident82.7Confident2 Ų266.1 Ų66.11%0.00832%0.322CS..Hα-helixtrans-73-33176.5-68.4-27.8000113.2A358 G361 A365 A373 I374 R380 M393 E396 I397 C400A358-W377 PolarHBondContact O-NE1 3.05Å; A358-W377 VanDerWaalsContact O-NE1 3.13Å; G361-W377 VanDerWaalsContact C-CZ2 3.44Å; A365-W377 HydrophobicContact CB-CH2 3.74Å; A365-W377 HydrophobicContact CB-CZ2 4.25Å; A373-W377 HydrophobicContact CB-CE3 4.3Å; A373-W377 HydrophobicContact CB-CH2 4.26Å; A373-W377 HydrophobicContact CB-CZ3 4.1Å; A373-W377 WeakPolarHBondContact O-CB 3.41Å; A373-W377 PolarHBondContact O-N 3.18Å; I374-W377 PolarHBondContact O-N 3.16Å; W377-R380 WeakPolarHBondContact O-CB 3.44Å; W377-R380 PolarHBondContact O-N 3.07Å; W377-M393 HydrophobicContact CB-CG 3.98Å; W377-M393 HydrophobicContact CB-SD 4.14Å; W377-M393 HydrophobicContact CG-CG 4.18Å; W377-M393 VanDerWaalsContact O-SD 3.4Å; W377-E396 HydrophobicContact CE3-CB 4.27Å; W377-E396 HydrophobicContact CH2-CB 3.64Å; W377-E396 HydrophobicContact CH2-CG 4.42Å; W377-E396 HydrophobicContact CZ2-CB 4.3Å; W377-E396 HydrophobicContact CZ3-CB 3.61Å; W377-I397 HydrophobicContact CB-CD1 3.9Å; W377-I397 HydrophobicContact CB-CG1 3.92Å; W377-I397 HydrophobicContact CD2-CG1 4.42Å; W377-I397 HydrophobicContact CE3-CG1 3.72Å; W377-C400 VanDerWaalsContact CZ3-SG 3.52Å
378E89Confident81.1Confident77 Ų7767.2 Ų67.236%0.3633%0.325SS..Hα-helixtrans-69.2-38.8172.1-74.3-171.6155.500111.4I374 R380 I381 I397 Y413I374-E378 HydrophobicContact CG2-CG 4.02Å; I374-E378 WeakPolarHBondContact O-CB 3.28Å; I374-E378 WeakPolarHBondContact O-CG 3.2Å; I374-E378 PolarHBondContact O-N 2.64Å; E378-R380 PolarHBondContact O-N 3.29Å; E378-I381 HydrophobicContact CB-CD1 4.43Å; E378-I381 HydrophobicContact CG-CD1 4.38Å; E378-I381 PolarHBondContact O-N 2.96Å; E378-I397 HydrophobicContact CG-CD1 4.38Å; E378-Y413 PolarHBondContact OE1-OH 3.22Å
379E92Very high79.5Confident70 Ų7063.7 Ų63.733%0.32731%0.311SS..Hα-helixtrans-59.9-30.6172.7-157.4-155.9129.700111.9R345 L357 E375 P382 Y383R345-E379 IonicContact CZ-OE1 3.53Å; R345-E379 IonicContact NH2-OE1 3.05Å; R345-E379 PolarHBondContact NH2-OE1 3.34Å; R345-E379 IonicContact NH2-OE2 2.64Å; R345-E379 PolarHBondContact NH2-OE2 3.49Å; L357-E379 HydrophobicContact CD1-CB 4.31Å; L357-E379 HydrophobicContact CD1-CG 4.39Å; E375-E379 WeakPolarHBondContact O-CB 3.43Å; E375-E379 PolarHBondContact O-N 2.75Å; E379-P382 VanDerWaalsContact O-CD 3.22Å; E379-P382 WeakPolarHBondContact O-CD 3.34Å; E379-Y383 WeakPolarHBondContact O-CD2 3.43Å; E379-Y383 VanDerWaalsContact O-CE2 3.31Å; E379-Y383 WeakPolarHBondContact O-CE2 3.5Å
380R85.5Confident78.4Confident9 Ų962 Ų623%0.03431%0.305CS..Hα-helixtrans-69.8-32.3179.8-174.7-177.6168.6-128.91.9113.6S354 L357 F376 W377 E378 P382 Y383 I384 E389 M393S354-R380 WeakPolarHBondContact O-CD 3.39Å; S354-R380 PolarHBondContact O-NE 3.32Å; S354-R380 VanDerWaalsContact O-NE 3.1Å; S354-R380 PolarHBondContact OG-NE 2.88Å; L357-R380 HydrophobicContact CB-CB 3.89Å; L357-R380 HydrophobicContact CB-CG 4.21Å; L357-R380 HydrophobicContact CD1-CB 4.02Å; F376-R380 PolarHBondContact O-N 3.26Å; W377-R380 WeakPolarHBondContact O-CB 3.44Å; W377-R380 PolarHBondContact O-N 3.07Å; E378-R380 PolarHBondContact O-N 3.29Å; R380-P382 VanDerWaalsContact C-N 3.34Å; R380-P382 VanDerWaalsContact O-N 3.12Å; R380-Y383 PolarHBondContact O-N 3.26Å; R380-I384 HydrophobicContact CG-CD1 4.04Å; R380-I384 HydrophobicContact CG-CG1 4.07Å; R380-E389 IonicContact NH2-OE2 3.82Å; R380-E389 PolarHBondContact NH2-OE2 2.83Å; R380-M393 HydrophobicContact CB-SD 4.17Å; R380-M393 HydrophobicContact CG-SD 4.24Å; R380-M393 PolarHBondContact NH1-SD 2.99Å
381I82.2Confident77.6Confident55 Ų5560.4 Ų60.428%0.28230%0.297SS..G310 helixtrans-45.9-46.3-170.7-67.7168.6000114E378 Y383 I384 M393E378-I381 HydrophobicContact CB-CD1 4.43Å; E378-I381 HydrophobicContact CG-CD1 4.38Å; E378-I381 PolarHBondContact O-N 2.96Å; I381-Y383 PolarHBondContact O-N 3.28Å; I381-I384 PolarHBondContact O-N 3.36Å; I381-M393 HydrophobicContact CG1-CE 3.57Å
382P85.1Confident76.9Confident101 Ų10158.4 Ų58.466%0.65629%0.285SS*.G310 helixtrans-67.1-18.8-177.7-19.734.3000114.5E379 R380E379-P382 VanDerWaalsContact O-CD 3.22Å; E379-P382 WeakPolarHBondContact O-CD 3.34Å; R380-P382 VanDerWaalsContact C-N 3.34Å; R380-P382 VanDerWaalsContact O-N 3.12Å
383Y80.1Confident76.1Confident73 Ų7354.4 Ų54.429%0.28627%0.268SS..G310 helixtrans-93.6-2.4-177.3-54.6-77.4000112.9P350 I353 L357 E379 R380 I381 H385P350-Y383 HydrophobicContact CB-CD1 4.23Å; I353-Y383 HydrophobicContact CD1-CE1 4.26Å; I353-Y383 HydrophobicContact CG2-CD1 4.26Å; I353-Y383 HydrophobicContact CG2-CD2 3.99Å; I353-Y383 HydrophobicContact CG2-CE1 4.18Å; I353-Y383 HydrophobicContact CG2-CE2 3.9Å; I353-Y383 HydrophobicContact CG2-CG 4.17Å; L357-Y383 HydrophobicContact CD1-CD2 4.1Å; L357-Y383 HydrophobicContact CD1-CE2 4.15Å; E379-Y383 WeakPolarHBondContact O-CD2 3.43Å; E379-Y383 VanDerWaalsContact O-CE2 3.31Å; E379-Y383 WeakPolarHBondContact O-CE2 3.5Å; R380-Y383 PolarHBondContact O-N 3.26Å; I381-Y383 PolarHBondContact O-N 3.28Å; Y383-H385 PolarHBondContact O-CE1 3.47Å; Y383-H385 PolarHBondContact O-ND1 3.06Å
384I67.6Low75.9Confident19 Ų1954.8 Ų54.810%0.09727%0.27CS..  trans-89.4122.3-178.1-58.5171.6000110R380 I381 E386 E389 N390 M393R380-I384 HydrophobicContact CG-CD1 4.04Å; R380-I384 HydrophobicContact CG-CG1 4.07Å; I381-I384 PolarHBondContact O-N 3.36Å; I384-E386 VanDerWaalsContact CG2-O 3.22Å; I384-E386 WeakPolarHBondContact CG2-O 3.2Å; I384-E389 HydrophobicContact CG2-CB 4.1Å; I384-N390 VanDerWaalsContact CD1-OD1 3.29Å; I384-N390 WeakPolarHBondContact CD1-OD1 3.24Å; I384-N390 VanDerWaalsContact CG2-ND2 3.34Å; I384-N390 WeakPolarHBondContact CG2-ND2 3.44Å; I384-M393 HydrophobicContact CD1-CE 3.32Å; I384-M393 HydrophobicContact CD1-SD 3.71Å
385H57.7Low75.7Confident140 Ų14055.4 Ų55.465%0.64827%0.273SS*.  trans-102.2-8.8-177.8-63.260.5000112.6Y383Y383-H385 PolarHBondContact O-CE1 3.47Å; Y383-H385 PolarHBondContact O-ND1 3.06Å
386E55Low75.1Confident131 Ų13151.8 Ų51.861%0.61226%0.256SS*.SBendtrans-122.4149.3-174.2-60-165173.900113.5I384 N390I384-E386 VanDerWaalsContact CG2-O 3.22Å; I384-E386 WeakPolarHBondContact CG2-O 3.2Å; E386-N390 PolarHBondContact O-ND2 3.27Å
387G53.3Low75Confident25 Ų2549.8 Ų49.826%0.25825%0.247SC..Hα-helixtrans-73.6-34.1-176.200000114.6N390 T391 V420G387-N390 WeakPolarHBondContact O-CB 3.33Å; G387-N390 PolarHBondContact O-N 3.08Å; G387-T391 PolarHBondContact O-N 3.06Å; G387-T391 PolarHBondContact O-OG1 2.95Å; G387-V420 WeakPolarHBondContact O-CG1 3.36Å
388L51.8Low74.9Confident78 Ų7849.7 Ų49.741%0.40825%0.247SC..Hα-helixtrans-70.2-41.2-173.6-165.771.6000112.6N390 T391 M424 D426L388-N390 PolarHBondContact O-N 3.16Å; L388-T391 PolarHBondContact O-N 3.34Å; L388-T391 VanDerWaalsContact O-N 3.16Å; L388-M424 HydrophobicContact CB-CE 4.25Å; L388-D426 HydrophobicContact CD1-CB 4.43Å; L388-D426 VanDerWaalsContact CD1-OD2 3.3Å; L388-D426 WeakPolarHBondContact CD1-OD2 3.33Å
389E54.2Low74.8Confident87 Ų8747.7 Ų47.741%0.40724%0.241SC..Hα-helixtrans-65.7-23.9177.7-64.9-170.3172.200113.1R380 I384 M393R380-E389 IonicContact NH2-OE2 3.82Å; R380-E389 PolarHBondContact NH2-OE2 2.83Å; I384-E389 HydrophobicContact CG2-CB 4.1Å; E389-M393 WeakPolarHBondContact O-CB 3.4Å
390N67.8Low74.5Confident36 Ų3644.6 Ų44.619%0.19323%0.227CC..Hα-helixtrans-73.5-39.4173.4-82.7-50.3000111.7I384 E386 G387 L388 M393 L394 V420I384-N390 VanDerWaalsContact CD1-OD1 3.29Å; I384-N390 WeakPolarHBondContact CD1-OD1 3.24Å; I384-N390 VanDerWaalsContact CG2-ND2 3.34Å; I384-N390 WeakPolarHBondContact CG2-ND2 3.44Å; E386-N390 PolarHBondContact O-ND2 3.27Å; G387-N390 WeakPolarHBondContact O-CB 3.33Å; G387-N390 PolarHBondContact O-N 3.08Å; L388-N390 PolarHBondContact O-N 3.16Å; N390-M393 PolarHBondContact O-N 2.99Å; N390-L394 WeakPolarHBondContact O-CB 3.46Å; N390-L394 WeakPolarHBondContact O-CD1 3.46Å; N390-L394 WeakPolarHBondContact O-CG 3.45Å; N390-L394 PolarHBondContact O-N 3.13Å; N390-V420 HydrophobicContact CB-CG1 4.44Å
391T73.1Confident74.7Confident0 Ų045.5 Ų45.50%023%0.23CC..Hα-helixtrans-61.3-52.2-175.3-52.80000112.4G387 L388 H395 S417 V420 A421 W429G387-T391 PolarHBondContact O-N 3.06Å; G387-T391 PolarHBondContact O-OG1 2.95Å; L388-T391 PolarHBondContact O-N 3.34Å; L388-T391 VanDerWaalsContact O-N 3.16Å; T391-H395 WeakPolarHBondContact O-CB 3.42Å; T391-H395 PolarHBondContact O-N 2.88Å; T391-H395 VanDerWaalsContact O-N 3.1Å; T391-S417 WeakPolarHBondContact CG2-OG 3.28Å; T391-S417 PolarHBondContact O-OG 3.28Å; T391-V420 WeakPolarHBondContact OG1-CG1 3.28Å; T391-A421 HydrophobicContact CG2-CB 3.62Å; T391-W429 HydrophobicContact CG2-CB 3.52Å; T391-W429 HydrophobicContact CG2-CD2 4.44Å; T391-W429 HydrophobicContact CG2-CG 3.9Å
392W77.8Confident74.8Confident67 Ų6743.6 Ų43.625%0.25422%0.22SC..Hα-helixtrans-59.6-48.9176.8166.563.1000111.2C362 L394 H395 E396 W429C362-W392 VanDerWaalsContact SG-CH2 3.57Å; W392-L394 PolarHBondContact O-N 3.39Å; W392-H395 WeakPolarHBondContact O-CA 3.22Å; W392-H395 VanDerWaalsContact O-CB 3.29Å; W392-H395 WeakPolarHBondContact O-CB 3.28Å; W392-H395 PolarHBondContact O-N 3.4Å; W392-H395 VanDerWaalsContact O-N 3.11Å; W392-E396 HydrophobicContact CD2-CG 4.16Å; W392-E396 VanDerWaalsContact CE2-CG 3.48Å; W392-E396 HydrophobicContact CG-CG 4.39Å; W392-E396 HydrophobicContact CZ2-CG 3.76Å; W392-E396 VanDerWaalsContact NE1-CG 3.25Å; W392-E396 PolarHBondContact NE1-OE1 2.96Å; W392-E396 WeakPolarHBondContact O-CG 3.47Å; W392-E396 PolarHBondContact O-N 3.38Å; W392-W429 HydrophobicContact CB-CH2 4.09Å; W392-W429 HydrophobicContact CB-CZ2 3.77Å; W392-W429 HydrophobicContact CB-CZ3 4.47Å; W392-W429 AromaticContact CD1-CH2 3.24Å; W392-W429 AromaticContact CD1-CZ2 3.55Å; W392-W429 AromaticContact CD1-CZ3 3.97Å; W392-W429 HydrophobicContact CG-CH2 4.01Å; W392-W429 AromaticContact CG-CZ2 3.95Å; W392-W429 HydrophobicContact CG-CZ2 3.95Å
393M76.5Confident74.8Confident0 Ų044.8 Ų44.80%022%0.217CC..Hα-helixtrans-63.8-42.6-176.7-176.9-173.868.400112.4W377 R380 I381 I384 E389 N390 H395 E396 I397W377-M393 HydrophobicContact CB-CG 3.98Å; W377-M393 HydrophobicContact CB-SD 4.14Å; W377-M393 HydrophobicContact CG-CG 4.18Å; W377-M393 VanDerWaalsContact O-SD 3.4Å; R380-M393 HydrophobicContact CB-SD 4.17Å; R380-M393 HydrophobicContact CG-SD 4.24Å; R380-M393 PolarHBondContact NH1-SD 2.99Å; I381-M393 HydrophobicContact CG1-CE 3.57Å; I384-M393 HydrophobicContact CD1-CE 3.32Å; I384-M393 HydrophobicContact CD1-SD 3.71Å; E389-M393 WeakPolarHBondContact O-CB 3.4Å; N390-M393 PolarHBondContact O-N 2.99Å; M393-H395 VanDerWaalsContact C-N 3.26Å; M393-H395 PolarHBondContact O-N 2.93Å; M393-E396 PolarHBondContact O-N 2.99Å; M393-I397 HydrophobicContact CG-CD1 4.2Å; M393-I397 WeakPolarHBondContact O-CG1 3.36Å; M393-I397 PolarHBondContact O-N 3.19Å
394L84.9Confident75.3Confident9 Ų943.9 Ų43.95%0.04722%0.217CC..Hα-helixtrans-61.7-37.5175.2-70.4169.4000111.5N390 W392 G398 Y413 R416 V420N390-L394 WeakPolarHBondContact O-CB 3.46Å; N390-L394 WeakPolarHBondContact O-CD1 3.46Å; N390-L394 WeakPolarHBondContact O-CG 3.45Å; N390-L394 PolarHBondContact O-N 3.13Å; W392-L394 PolarHBondContact O-N 3.39Å; L394-G398 PolarHBondContact O-N 2.75Å; L394-G398 VanDerWaalsContact O-N 3.1Å; L394-Y413 HydrophobicContact CD2-CD1 3.63Å; L394-Y413 HydrophobicContact CD2-CE1 3.72Å; L394-R416 HydrophobicContact CD1-CB 4.16Å; L394-V420 HydrophobicContact CD1-CG2 4.14Å
395H85.6Confident76.4Confident20 Ų2048.7 Ų48.79%0.09324%0.243CC..Hα-helixtrans-62.8-49.1173169.5-86.2000111.3T391 W392 M393 I397 G398 C399 W429 L436T391-H395 WeakPolarHBondContact O-CB 3.42Å; T391-H395 PolarHBondContact O-N 2.88Å; T391-H395 VanDerWaalsContact O-N 3.1Å; W392-H395 WeakPolarHBondContact O-CA 3.22Å; W392-H395 VanDerWaalsContact O-CB 3.29Å; W392-H395 WeakPolarHBondContact O-CB 3.28Å; W392-H395 PolarHBondContact O-N 3.4Å; W392-H395 VanDerWaalsContact O-N 3.11Å; M393-H395 VanDerWaalsContact C-N 3.26Å; M393-H395 PolarHBondContact O-N 2.93Å; H395-I397 PolarHBondContact O-N 3.19Å; H395-G398 CarbonylContact O-C 3.53Å; H395-G398 WeakPolarHBondContact O-CA 3.43Å; H395-G398 PolarHBondContact O-N 3.26Å; H395-G398 VanDerWaalsContact O-N 3.07Å; H395-C399 PolarHBondContact CE1-SG 3.21Å; H395-C399 PolarHBondContact O-N 3.21Å; H395-C399 PolarHBondContact O-SG 3.09Å; H395-C399 VanDerWaalsContact O-SG 3.42Å; H395-W429 HydrophobicContact CB-CE3 4.42Å; H395-W429 HydrophobicContact CB-CZ3 4.23Å; H395-W429 AromaticContact CG-CZ3 3.9Å; H395-W429 AromaticContact ND1-CZ3 3.79Å; H395-L436 WeakPolarHBondContact O-CD2 3.3Å
396E81.6Confident78.1Confident47 Ų4744.2 Ų44.222%0.2222%0.224CC..Hα-helixtrans-63.3-39.3179.8-64.5-48.1132.400113.4W377 W392 M393 G398 C399 C400W377-E396 HydrophobicContact CE3-CB 4.27Å; W377-E396 HydrophobicContact CH2-CB 3.64Å; W377-E396 HydrophobicContact CH2-CG 4.42Å; W377-E396 HydrophobicContact CZ2-CB 4.3Å; W377-E396 HydrophobicContact CZ3-CB 3.61Å; W392-E396 HydrophobicContact CD2-CG 4.16Å; W392-E396 VanDerWaalsContact CE2-CG 3.48Å; W392-E396 HydrophobicContact CG-CG 4.39Å; W392-E396 HydrophobicContact CZ2-CG 3.76Å; W392-E396 VanDerWaalsContact NE1-CG 3.25Å; W392-E396 PolarHBondContact NE1-OE1 2.96Å; W392-E396 WeakPolarHBondContact O-CG 3.47Å; W392-E396 PolarHBondContact O-N 3.38Å; M393-E396 PolarHBondContact O-N 2.99Å; E396-G398 VanDerWaalsContact C-N 3.29Å; E396-G398 PolarHBondContact O-N 2.98Å; E396-C399 WeakPolarHBondContact O-CB 3.45Å; E396-C399 PolarHBondContact O-N 3.35Å; E396-C400 PolarHBondContact O-N 2.88Å; E396-C400 PolarHBondContact O-SG 3.11Å
397I86.4Confident79.8Confident0 Ų038.8 Ų38.80%020%0.2CC..Hα-helixtrans-59.7-43.9172.1-68.2167000110.1I374 W377 E378 M393 H395 C400 Y401 Y413I374-I397 HydrophobicContact CG1-CG2 4.29Å; I374-I397 HydrophobicContact CG2-CG2 4.21Å; W377-I397 HydrophobicContact CB-CD1 3.9Å; W377-I397 HydrophobicContact CB-CG1 3.92Å; W377-I397 HydrophobicContact CD2-CG1 4.42Å; W377-I397 HydrophobicContact CE3-CG1 3.72Å; E378-I397 HydrophobicContact CG-CD1 4.38Å; M393-I397 HydrophobicContact CG-CD1 4.2Å; M393-I397 WeakPolarHBondContact O-CG1 3.36Å; M393-I397 PolarHBondContact O-N 3.19Å; H395-I397 PolarHBondContact O-N 3.19Å; I397-C400 WeakPolarHBondContact O-CB 3.41Å; I397-C400 PolarHBondContact O-N 2.87Å; I397-Y401 HydrophobicContact CG2-CD2 3.79Å; I397-Y401 HydrophobicContact CG2-CE2 3.57Å; I397-Y401 VanDerWaalsContact O-CD2 3.3Å; I397-Y401 WeakPolarHBondContact O-CD2 3.39Å; I397-Y401 PolarHBondContact O-N 3.12Å; I397-Y413 HydrophobicContact CB-CD1 4.03Å; I397-Y413 HydrophobicContact CB-CE1 4.2Å; I397-Y413 HydrophobicContact CB-CG 4.37Å; I397-Y413 HydrophobicContact CD1-CD1 4.49Å; I397-Y413 HydrophobicContact CD1-CE1 4Å; I397-Y413 HydrophobicContact CG2-CD1 3.67Å; I397-Y413 HydrophobicContact CG2-CD2 3.77Å; I397-Y413 HydrophobicContact CG2-CE1 3.62Å; I397-Y413 HydrophobicContact CG2-CE2 3.7Å; I397-Y413 HydrophobicContact CG2-CG 3.76Å
398G86.8Confident81.8Confident0 Ų044 Ų440%022%0.216CC..Hα-helixtrans-64.2-41177.600000113L394 H395 E396 C400 Y401 L402 A410L394-G398 PolarHBondContact O-N 2.75Å; L394-G398 VanDerWaalsContact O-N 3.1Å; H395-G398 CarbonylContact O-C 3.53Å; H395-G398 WeakPolarHBondContact O-CA 3.43Å; H395-G398 PolarHBondContact O-N 3.26Å; H395-G398 VanDerWaalsContact O-N 3.07Å; E396-G398 VanDerWaalsContact C-N 3.29Å; E396-G398 PolarHBondContact O-N 2.98Å; G398-C400 VanDerWaalsContact C-N 3.35Å; G398-C400 PolarHBondContact O-N 3.49Å; G398-Y401 PolarHBondContact O-N 3.45Å; G398-L402 PolarHBondContact O-N 3.13Å; G398-A410 VanDerWaalsContact O-CB 3.23Å; G398-A410 WeakPolarHBondContact O-CB 3.2Å
399C85.7Confident83.7Confident35 Ų3544.8 Ų44.824%0.23622%0.216CC..Hα-helixtrans-58.6-45.2171.6-69.30000111.6H395 E396 Y401 L402 E403H395-C399 PolarHBondContact CE1-SG 3.21Å; H395-C399 PolarHBondContact O-N 3.21Å; H395-C399 PolarHBondContact O-SG 3.09Å; H395-C399 VanDerWaalsContact O-SG 3.42Å; E396-C399 WeakPolarHBondContact O-CB 3.45Å; E396-C399 PolarHBondContact O-N 3.35Å; C399-Y401 VanDerWaalsContact C-N 3.33Å; C399-Y401 PolarHBondContact O-N 3.1Å; C399-L402 WeakPolarHBondContact O-CB 3.29Å; C399-L402 PolarHBondContact O-N 3.06Å; C399-E403 PolarHBondContact O-N 3.47Å
400C85.3Confident85.4Confident4 Ų440.7 Ų40.73%0.02720%0.197CC..Hα-helixtrans-59.2-43.1176.5-71.70000112F370 I374 W377 E396 I397 G398 L402 E403 L404F370-C400 HydrophobicContact CB-CB 4.06Å; F370-C400 HydrophobicContact CD1-CB 4.24Å; F370-C400 HydrophobicContact CG-CB 4.47Å; I374-C400 HydrophobicContact CD1-CB 3.72Å; I374-C400 HydrophobicContact CG1-CB 3.76Å; W377-C400 VanDerWaalsContact CZ3-SG 3.52Å; E396-C400 PolarHBondContact O-N 2.88Å; E396-C400 PolarHBondContact O-SG 3.11Å; I397-C400 WeakPolarHBondContact O-CB 3.41Å; I397-C400 PolarHBondContact O-N 2.87Å; G398-C400 VanDerWaalsContact C-N 3.35Å; G398-C400 PolarHBondContact O-N 3.49Å; C400-L402 VanDerWaalsContact C-N 3.29Å; C400-L402 PolarHBondContact O-N 3.01Å; C400-E403 PolarHBondContact O-N 3.14Å; C400-L404 VanDerWaalsContact O-CG 3.32Å; C400-L404 WeakPolarHBondContact O-CG 3.22Å; C400-L404 PolarHBondContact O-N 2.9Å
401Y90.3Very high86.7Confident29 Ų2942 Ų4211%0.11420%0.199CC..Hα-helixtrans-64.7-32.6174.5-79.9-58.5000113.3I374 I397 G398 C399 E403 L404 N405 D406 K409 Y413I374-Y401 HydrophobicContact CD1-CD1 4.03Å; I374-Y401 HydrophobicContact CD1-CD2 4.19Å; I374-Y401 HydrophobicContact CD1-CE1 3.81Å; I374-Y401 HydrophobicContact CD1-CE2 4.02Å; I374-Y401 HydrophobicContact CD1-CG 4.2Å; I374-Y401 HydrophobicContact CG2-CE2 4.23Å; I397-Y401 HydrophobicContact CG2-CD2 3.79Å; I397-Y401 HydrophobicContact CG2-CE2 3.57Å; I397-Y401 VanDerWaalsContact O-CD2 3.3Å; I397-Y401 WeakPolarHBondContact O-CD2 3.39Å; I397-Y401 PolarHBondContact O-N 3.12Å; G398-Y401 PolarHBondContact O-N 3.45Å; C399-Y401 VanDerWaalsContact C-N 3.33Å; C399-Y401 PolarHBondContact O-N 3.1Å; Y401-E403 VanDerWaalsContact C-N 3.35Å; Y401-L404 HydrophobicContact CD1-CD1 4.48Å; Y401-L404 CarbonylContact O-C 3.58Å; Y401-L404 PolarHBondContact O-N 2.82Å; Y401-N405 PolarHBondContact O-N 3.29Å; Y401-D406 HydrophobicContact CD1-CB 4.2Å; Y401-D406 PolarHBondContact O-N 3.35Å; Y401-K409 HydrophobicContact CD1-CB 3.95Å; Y401-K409 HydrophobicContact CD1-CD 3.9Å; Y401-K409 HydrophobicContact CD2-CB 3.82Å; Y401-K409 HydrophobicContact CE1-CB 4.29Å; Y401-K409 HydrophobicContact CE1-CD 3.51Å; Y401-K409 HydrophobicContact CE2-CB 4.14Å; Y401-K409 HydrophobicContact CE2-CD 4.21Å; Y401-K409 HydrophobicContact CG-CB 3.71Å; Y401-K409 HydrophobicContact CG-CD 4.43Å; Y401-Y413 AromaticContact CD2-CD2 3.8Å; Y401-Y413 HydrophobicContact CD2-CD2 3.8Å; Y401-Y413 HydrophobicContact CD2-CE2 4.09Å; Y401-Y413 AromaticContact CE2-CD2 3.69Å; Y401-Y413 HydrophobicContact CE2-CD2 3.69Å; Y401-Y413 AromaticContact CE2-CE2 3.47Å; Y401-Y413 HydrophobicContact CE2-CE2 3.47Å; Y401-Y413 VanDerWaalsContact CE2-CE2 3.47Å
402L84.8Confident87.7Confident14 Ų1445.7 Ų45.77%0.07322%0.219CC..Hα-helixtrans-66.6-38175.8-16278.2000111.8G398 C399 C400 N405 P407 A410 L436 Q439 K443G398-L402 PolarHBondContact O-N 3.13Å; C399-L402 WeakPolarHBondContact O-CB 3.29Å; C399-L402 PolarHBondContact O-N 3.06Å; C400-L402 VanDerWaalsContact C-N 3.29Å; C400-L402 PolarHBondContact O-N 3.01Å; L402-N405 PolarHBondContact O-N 2.97Å; L402-P407 HydrophobicContact CD1-CB 4.49Å; L402-A410 HydrophobicContact CB-CB 4.02Å; L402-A410 HydrophobicContact CD1-CB 4.01Å; L402-L436 HydrophobicContact CD2-CD1 4.28Å; L402-Q439 HydrophobicContact CD2-CB 4.18Å; L402-K443 HydrophobicContact CD1-CD 3.88Å; L402-K443 HydrophobicContact CG-CD 4.29Å; L402-K443 PolarHBondContact O-NZ 3.49Å
403E85.3Confident88.2Confident126 Ų12643.6 Ų43.659%0.58921%0.211SC*.Hα-helixtrans-69.9-36174-68.8-59.7138.300112.1F370 C399 C400 Y401 N405F370-E403 HydrophobicContact CD2-CB 3.89Å; F370-E403 HydrophobicContact CE1-CB 4.33Å; F370-E403 HydrophobicContact CE1-CG 4.28Å; F370-E403 HydrophobicContact CE2-CB 3.59Å; F370-E403 HydrophobicContact CE2-CG 4.17Å; F370-E403 HydrophobicContact CG-CB 4.37Å; F370-E403 HydrophobicContact CZ-CB 3.83Å; F370-E403 HydrophobicContact CZ-CG 3.88Å; C399-E403 PolarHBondContact O-N 3.47Å; C400-E403 PolarHBondContact O-N 3.14Å; Y401-E403 VanDerWaalsContact C-N 3.35Å; E403-N405 PolarHBondContact O-N 3.36Å
404L89.8Confident88.8Confident55 Ų5543.6 Ų43.629%0.28821%0.211SC..THydrogen-bonded Turntrans-73.71.5172.4-67.4177.4000114F370 E371 I374 C400 Y401 D406F370-L404 HydrophobicContact CB-CD1 3.98Å; F370-L404 HydrophobicContact CB-CD2 3.96Å; F370-L404 HydrophobicContact CB-CG 3.83Å; F370-L404 HydrophobicContact CD2-CD2 4.16Å; F370-L404 HydrophobicContact CD2-CG 4.45Å; E371-L404 VanDerWaalsContact CD-CD2 3.49Å; E371-L404 HydrophobicContact CG-CD1 3.92Å; E371-L404 HydrophobicContact CG-CD2 4.33Å; E371-L404 WeakPolarHBondContact OE1-CD2 3.49Å; I374-L404 HydrophobicContact CD1-CD1 3.92Å; C400-L404 VanDerWaalsContact O-CG 3.32Å; C400-L404 WeakPolarHBondContact O-CG 3.22Å; C400-L404 PolarHBondContact O-N 2.9Å; Y401-L404 HydrophobicContact CD1-CD1 4.48Å; Y401-L404 CarbonylContact O-C 3.58Å; Y401-L404 PolarHBondContact O-N 2.82Å; L404-D406 VanDerWaalsContact C-N 3.27Å; L404-D406 PolarHBondContact O-N 2.99Å
405N90.9Very high89.1Confident119 Ų11946.6 Ų46.664%0.63623%0.226SC*.THydrogen-bonded Turntrans59.833.6-178-158.247.4000113.8Y401 L402 E403 P407Y401-N405 PolarHBondContact O-N 3.29Å; L402-N405 PolarHBondContact O-N 2.97Å; E403-N405 PolarHBondContact O-N 3.36Å; N405-P407 WeakPolarHBondContact O-CD 3.5Å
406D94.1Very high89.3Confident46 Ų4651 Ų5125%0.24624%0.242CC..  trans-108.672.8167.9-169-15.7000109.8Y401 L404 K408 K409 A410Y401-D406 HydrophobicContact CD1-CB 4.2Å; Y401-D406 PolarHBondContact O-N 3.35Å; L404-D406 VanDerWaalsContact C-N 3.27Å; L404-D406 PolarHBondContact O-N 2.99Å; D406-K408 PolarHBondContact O-N 3.18Å; D406-K409 PolarHBondContact O-N 3.2Å; D406-K409 PolarHBondContact OD1-N 2.93Å; D406-K409 WeakPolarHBondContact OD2-CD 3.45Å; D406-K409 WeakPolarHBondContact OD2-CE 3.34Å; D406-K409 WeakPolarHBondContact OD2-CG 3.44Å; D406-K409 IonicContact OD2-NZ 3.55Å; D406-K409 PolarHBondContact OD2-NZ 3Å; D406-K409 VanDerWaalsContact OD2-NZ 3.09Å; D406-A410 PolarHBondContact O-N 3.36Å; D406-A410 VanDerWaalsContact O-N 3.12Å
407P89Confident89.4Confident18 Ų1848.8 Ų48.812%0.11723%0.232CC..Hα-helixtrans-67.2-18-17428.7-36.8000113.1L402 N405 R411 K443 L444L402-P407 HydrophobicContact CD1-CB 4.49Å; N405-P407 WeakPolarHBondContact O-CD 3.5Å; P407-R411 WeakPolarHBondContact O-CB 3.4Å; P407-R411 PolarHBondContact O-N 3.28Å; P407-K443 HydrophobicContact CB-CB 3.83Å; P407-K443 HydrophobicContact CG-CB 4.2Å; P407-L444 HydrophobicContact CB-CD2 4.22Å; P407-L444 HydrophobicContact CB-CG 4.02Å; P407-L444 HydrophobicContact CG-CD2 3.74Å; P407-L444 HydrophobicContact CG-CG 4.05Å
408K95.6Very high89.5Confident134 Ų13449.2 Ų49.258%0.58323%0.234SC*.Hα-helixtrans-67.6-49.7175.1-66-174.5-179.8176.10110.8D406 R411 D412 L444D406-K408 PolarHBondContact O-N 3.18Å; K408-R411 PolarHBondContact O-N 2.87Å; K408-D412 PolarHBondContact O-N 3.12Å; K408-D412 VanDerWaalsContact O-N 3.11Å; K408-L444 HydrophobicContact CG-CD1 4.48Å; K408-L444 HydrophobicContact CG-CD2 3.57Å
409K93Very high89.5Confident95 Ų9551.4 Ų51.441%0.41325%0.252SS..Hα-helixtrans-68.3-38176.4-69.7-174.6-166.4150.30112Y401 D406 R411 D412 Y413Y401-K409 HydrophobicContact CD1-CB 3.95Å; Y401-K409 HydrophobicContact CD1-CD 3.9Å; Y401-K409 HydrophobicContact CD2-CB 3.82Å; Y401-K409 HydrophobicContact CE1-CB 4.29Å; Y401-K409 HydrophobicContact CE1-CD 3.51Å; Y401-K409 HydrophobicContact CE2-CB 4.14Å; Y401-K409 HydrophobicContact CE2-CD 4.21Å; Y401-K409 HydrophobicContact CG-CB 3.71Å; Y401-K409 HydrophobicContact CG-CD 4.43Å; D406-K409 PolarHBondContact O-N 3.2Å; D406-K409 PolarHBondContact OD1-N 2.93Å; D406-K409 WeakPolarHBondContact OD2-CD 3.45Å; D406-K409 WeakPolarHBondContact OD2-CE 3.34Å; D406-K409 WeakPolarHBondContact OD2-CG 3.44Å; D406-K409 IonicContact OD2-NZ 3.55Å; D406-K409 PolarHBondContact OD2-NZ 3Å; D406-K409 VanDerWaalsContact OD2-NZ 3.09Å; K409-R411 VanDerWaalsContact C-N 3.31Å; K409-R411 PolarHBondContact O-N 3.13Å; K409-D412 PolarHBondContact O-N 3.38Å; K409-Y413 WeakPolarHBondContact O-CD2 3.49Å; K409-Y413 PolarHBondContact O-N 3.01Å
410A89.8Confident89.2Confident0 Ų051 Ų510%025%0.249CC..Hα-helixtrans-55.5-47.6174.800000111.6G398 L402 D406 Y413 G414 S440G398-A410 VanDerWaalsContact O-CB 3.23Å; G398-A410 WeakPolarHBondContact O-CB 3.2Å; L402-A410 HydrophobicContact CB-CB 4.02Å; L402-A410 HydrophobicContact CD1-CB 4.01Å; D406-A410 PolarHBondContact O-N 3.36Å; D406-A410 VanDerWaalsContact O-N 3.12Å; A410-Y413 PolarHBondContact O-N 3.46Å; A410-G414 PolarHBondContact O-N 2.84Å; A410-S440 WeakPolarHBondContact CB-OG 3.31Å
411R94.9Very high88.7Confident64 Ų6450.9 Ų50.924%0.24225%0.248CC..Hα-helixtrans-59.1-49.8174.5-176.8-161.661.1-167.9-0.5112.1P407 K408 K409 Y413 G414 L415 V437 S440 E441P407-R411 WeakPolarHBondContact O-CB 3.4Å; P407-R411 PolarHBondContact O-N 3.28Å; K408-R411 PolarHBondContact O-N 2.87Å; K409-R411 VanDerWaalsContact C-N 3.31Å; K409-R411 PolarHBondContact O-N 3.13Å; R411-Y413 VanDerWaalsContact C-N 3.32Å; R411-Y413 PolarHBondContact O-N 3.24Å; R411-G414 PolarHBondContact O-N 3.06Å; R411-G414 VanDerWaalsContact O-N 3.17Å; R411-L415 HydrophobicContact CG-CD1 4.13Å; R411-L415 HydrophobicContact CG-CG 4.42Å; R411-L415 WeakPolarHBondContact O-CG 3.49Å; R411-L415 PolarHBondContact O-N 2.87Å; R411-V437 HydrophobicContact CG-CG1 4.19Å; R411-S440 PolarHBondContact N-OG 3.4Å; R411-E441 WeakPolarHBondContact CD-OE1 3.26Å; R411-E441 IonicContact NH1-OE1 3.83Å
412D94Very high88.1Confident77 Ų7753.4 Ų53.441%0.41226%0.261SS..Hα-helixtrans-62.9-39.9-175.9-70.23.5000111.5K408 K409 R416K408-D412 PolarHBondContact O-N 3.12Å; K408-D412 VanDerWaalsContact O-N 3.11Å; K409-D412 PolarHBondContact O-N 3.38Å; D412-R416 VanDerWaalsContact O-CG 3.31Å; D412-R416 WeakPolarHBondContact O-CG 3.28Å; D412-R416 PolarHBondContact O-N 3.46Å; D412-R416 VanDerWaalsContact O-N 3.15Å
413Y87.7Confident87.6Confident23 Ų2359 Ų599%0.0929%0.286CS..Hα-helixtrans-67.8-40.1172.5-89.9-77.7000112.7E378 L394 I397 Y401 K409 A410 R411 R416 S417E378-Y413 PolarHBondContact OE1-OH 3.22Å; L394-Y413 HydrophobicContact CD2-CD1 3.63Å; L394-Y413 HydrophobicContact CD2-CE1 3.72Å; I397-Y413 HydrophobicContact CB-CD1 4.03Å; I397-Y413 HydrophobicContact CB-CE1 4.2Å; I397-Y413 HydrophobicContact CB-CG 4.37Å; I397-Y413 HydrophobicContact CD1-CD1 4.49Å; I397-Y413 HydrophobicContact CD1-CE1 4Å; I397-Y413 HydrophobicContact CG2-CD1 3.67Å; I397-Y413 HydrophobicContact CG2-CD2 3.77Å; I397-Y413 HydrophobicContact CG2-CE1 3.62Å; I397-Y413 HydrophobicContact CG2-CE2 3.7Å; I397-Y413 HydrophobicContact CG2-CG 3.76Å; Y401-Y413 AromaticContact CD2-CD2 3.8Å; Y401-Y413 HydrophobicContact CD2-CD2 3.8Å; Y401-Y413 HydrophobicContact CD2-CE2 4.09Å; Y401-Y413 AromaticContact CE2-CD2 3.69Å; Y401-Y413 HydrophobicContact CE2-CD2 3.69Å; Y401-Y413 AromaticContact CE2-CE2 3.47Å; Y401-Y413 HydrophobicContact CE2-CE2 3.47Å; Y401-Y413 VanDerWaalsContact CE2-CE2 3.47Å; K409-Y413 WeakPolarHBondContact O-CD2 3.49Å; K409-Y413 PolarHBondContact O-N 3.01Å; A410-Y413 PolarHBondContact O-N 3.46Å; R411-Y413 VanDerWaalsContact C-N 3.32Å; R411-Y413 PolarHBondContact O-N 3.24Å; Y413-R416 PolarHBondContact O-N 2.89Å; Y413-S417 PolarHBondContact O-N 3.49Å
414G88.4Confident86.8Confident0 Ų055.4 Ų55.40%027%0.27CS..Hα-helixtrans-60.2-44.4173.600000112.9A410 R411 R416 S417 I418 V437A410-G414 PolarHBondContact O-N 2.84Å; R411-G414 PolarHBondContact O-N 3.06Å; R411-G414 VanDerWaalsContact O-N 3.17Å; G414-R416 PolarHBondContact O-N 3.32Å; G414-S417 WeakPolarHBondContact O-CB 3.38Å; G414-S417 PolarHBondContact O-N 2.94Å; G414-S417 VanDerWaalsContact O-N 3.17Å; G414-I418 WeakPolarHBondContact O-CG1 3.37Å; G414-I418 PolarHBondContact O-N 2.94Å; G414-V437 VanDerWaalsContact C-CG2 3.46Å
415L91.3Very high85.7Confident72 Ų7258.8 Ų58.838%0.37728%0.283SS..Hα-helixtrans-63.8-40176.2-72.2172.5000112.3R411 S417 I418 A419 V437 F453R411-L415 HydrophobicContact CG-CD1 4.13Å; R411-L415 HydrophobicContact CG-CG 4.42Å; R411-L415 WeakPolarHBondContact O-CG 3.49Å; R411-L415 PolarHBondContact O-N 2.87Å; L415-S417 VanDerWaalsContact C-N 3.33Å; L415-I418 HydrophobicContact CD2-CD1 4.47Å; L415-I418 PolarHBondContact O-N 3.24Å; L415-A419 PolarHBondContact O-N 3.36Å; L415-V437 HydrophobicContact CD2-CG1 4.12Å; L415-V437 HydrophobicContact CD2-CG2 4.15Å; L415-V437 HydrophobicContact CG-CG1 4.43Å; L415-V437 HydrophobicContact CG-CG2 4.08Å; L415-F453 HydrophobicContact CD2-CE1 4.35Å; L415-F453 HydrophobicContact CD2-CZ 4.03Å
416R89.9Confident84.7Confident113 Ų11354.9 Ų54.943%0.42626%0.262SS..Hα-helixtrans-62.3-41.9172.9-71.4167.263.6-169.6-0.4111L394 D412 Y413 G414 A419 V420L394-R416 HydrophobicContact CD1-CB 4.16Å; D412-R416 VanDerWaalsContact O-CG 3.31Å; D412-R416 WeakPolarHBondContact O-CG 3.28Å; D412-R416 PolarHBondContact O-N 3.46Å; D412-R416 VanDerWaalsContact O-N 3.15Å; Y413-R416 PolarHBondContact O-N 2.89Å; G414-R416 PolarHBondContact O-N 3.32Å; R416-A419 PolarHBondContact O-N 3.01Å; R416-V420 WeakPolarHBondContact O-CG2 3.37Å; R416-V420 PolarHBondContact O-N 2.93Å; R416-V420 VanDerWaalsContact O-N 3.15Å
417S85.4Confident83.9Confident0 Ų055.3 Ų55.30%026%0.264CS..Hα-helixtrans-62.7-45.6176-176.30000111.6T391 Y413 G414 L415 A419 V420 A421 A433T391-S417 WeakPolarHBondContact CG2-OG 3.28Å; T391-S417 PolarHBondContact O-OG 3.28Å; Y413-S417 PolarHBondContact O-N 3.49Å; G414-S417 WeakPolarHBondContact O-CB 3.38Å; G414-S417 PolarHBondContact O-N 2.94Å; G414-S417 VanDerWaalsContact O-N 3.17Å; L415-S417 VanDerWaalsContact C-N 3.33Å; S417-A419 VanDerWaalsContact C-N 3.33Å; S417-A419 PolarHBondContact O-N 3.2Å; S417-V420 PolarHBondContact O-N 3.3Å; S417-A421 WeakPolarHBondContact O-CB 3.27Å; S417-A421 PolarHBondContact O-N 2.87Å; S417-A433 WeakPolarHBondContact OG-CB 3.37Å
418I87.3Confident83.3Confident10 Ų1057.2 Ų57.25%0.05127%0.272CS..Hα-helixtrans-56.3-47.4174-66.5170.2000110.9G414 L415 V420 A421 E422 A433 V437 F453G414-I418 WeakPolarHBondContact O-CG1 3.37Å; G414-I418 PolarHBondContact O-N 2.94Å; L415-I418 HydrophobicContact CD2-CD1 4.47Å; L415-I418 PolarHBondContact O-N 3.24Å; I418-V420 VanDerWaalsContact C-N 3.33Å; I418-V420 PolarHBondContact O-N 3.05Å; I418-A421 PolarHBondContact O-N 3.45Å; I418-A421 VanDerWaalsContact O-N 3.15Å; I418-E422 HydrophobicContact CG2-CG 4.04Å; I418-E422 WeakPolarHBondContact O-CB 3.38Å; I418-E422 WeakPolarHBondContact O-CG 3.4Å; I418-E422 PolarHBondContact O-N 3.01Å; I418-A433 HydrophobicContact CB-CB 4.5Å; I418-A433 HydrophobicContact CG1-CB 3.53Å; I418-V437 HydrophobicContact CD1-CB 4.33Å; I418-V437 HydrophobicContact CD1-CG2 3.76Å; I418-F453 HydrophobicContact CD1-CE1 4.42Å
419A86.8Confident82.5Confident45 Ų4553 Ų5337%0.37225%0.253SS..Hα-helixtrans-58.9-44.5-178.600000111.8L415 R416 S417 E423L415-A419 PolarHBondContact O-N 3.36Å; R416-A419 PolarHBondContact O-N 3.01Å; S417-A419 VanDerWaalsContact C-N 3.33Å; S417-A419 PolarHBondContact O-N 3.2Å; A419-E423 WeakPolarHBondContact O-CG 3.41Å; A419-E423 PolarHBondContact O-N 3.31Å
420V78.7Confident82.1Confident28 Ų2849.4 Ų49.417%0.1724%0.237CC..Hα-helixtrans-69.1-38.2176.7-174.50000111.1G387 N390 T391 L394 R416 S417 I418 E423 M424G387-V420 WeakPolarHBondContact O-CG1 3.36Å; N390-V420 HydrophobicContact CB-CG1 4.44Å; T391-V420 WeakPolarHBondContact OG1-CG1 3.28Å; L394-V420 HydrophobicContact CD1-CG2 4.14Å; R416-V420 WeakPolarHBondContact O-CG2 3.37Å; R416-V420 PolarHBondContact O-N 2.93Å; R416-V420 VanDerWaalsContact O-N 3.15Å; S417-V420 PolarHBondContact O-N 3.3Å; I418-V420 VanDerWaalsContact C-N 3.33Å; I418-V420 PolarHBondContact O-N 3.05Å; V420-E423 WeakPolarHBondContact O-CB 3.49Å; V420-E423 PolarHBondContact O-N 3.17Å; V420-M424 HydrophobicContact CG1-CG 4.42Å; V420-M424 WeakPolarHBondContact O-CB 3.43Å; V420-M424 VanDerWaalsContact O-CG 3.23Å; V420-M424 WeakPolarHBondContact O-CG 3.45Å; V420-M424 PolarHBondContact O-N 3.26Å
421A75.9Confident81.8Confident0 Ų049.7 Ų49.70%024%0.239CC..Hα-helixtrans-64.4-41.7177.200000112.5T391 S417 I418 M424 F425 D426 W429 Q430T391-A421 HydrophobicContact CG2-CB 3.62Å; S417-A421 WeakPolarHBondContact O-CB 3.27Å; S417-A421 PolarHBondContact O-N 2.87Å; I418-A421 PolarHBondContact O-N 3.45Å; I418-A421 VanDerWaalsContact O-N 3.15Å; A421-M424 CarbonylContact O-C 3.56Å; A421-M424 PolarHBondContact O-N 2.91Å; A421-F425 PolarHBondContact O-N 3.05Å; A421-D426 PolarHBondContact O-N 2.81Å; A421-W429 HydrophobicContact CB-CB 4.08Å; A421-Q430 HydrophobicContact CB-CB 4.27Å; A421-Q430 HydrophobicContact CB-CG 3.52Å
422E78.2Confident81.1Confident83 Ų8352.2 Ų52.239%0.38825%0.248SC..Hα-helixtrans-65.5-39.8174.4-73.7-178.7172.400111.1I418 M424 F425 Q430 K456I418-E422 HydrophobicContact CG2-CG 4.04Å; I418-E422 WeakPolarHBondContact O-CB 3.38Å; I418-E422 WeakPolarHBondContact O-CG 3.4Å; I418-E422 PolarHBondContact O-N 3.01Å; E422-M424 VanDerWaalsContact C-N 3.25Å; E422-M424 PolarHBondContact O-N 3.21Å; E422-F425 PolarHBondContact O-N 3.04Å; E422-Q430 HydrophobicContact CG-CG 3.91Å; E422-K456 IonicContact OE1-NZ 2.7Å; E422-K456 PolarHBondContact OE1-NZ 3.33Å
423E74Confident80.7Confident131 Ų13148.6 Ų48.661%0.61223%0.229SC*.Hα-helixtrans-62.1-33173-78-178.9-175.100112.7V120 A419 V420V120-E423 WeakPolarHBondContact CG1-O 3.25Å; A419-E423 WeakPolarHBondContact O-CG 3.41Å; A419-E423 PolarHBondContact O-N 3.31Å; V420-E423 WeakPolarHBondContact O-CB 3.49Å; V420-E423 PolarHBondContact O-N 3.17Å
424M67.1Low80.7Confident51 Ų5147.5 Ų47.525%0.25122%0.224SC..Hα-helixtrans-89.6-8.2-179.5-66.7-61.9-6700113.6L388 V420 A421 E422 D426L388-M424 HydrophobicContact CB-CE 4.25Å; V420-M424 HydrophobicContact CG1-CG 4.42Å; V420-M424 WeakPolarHBondContact O-CB 3.43Å; V420-M424 VanDerWaalsContact O-CG 3.23Å; V420-M424 WeakPolarHBondContact O-CG 3.45Å; V420-M424 PolarHBondContact O-N 3.26Å; A421-M424 CarbonylContact O-C 3.56Å; A421-M424 PolarHBondContact O-N 2.91Å; E422-M424 VanDerWaalsContact C-N 3.25Å; E422-M424 PolarHBondContact O-N 3.21Å; M424-D426 HydrophobicContact CB-CB 4.5Å; M424-D426 PolarHBondContact O-N 3.47Å
425F68.4Low80.6Confident126 Ų12648.8 Ų48.855%0.55323%0.232SC*.THydrogen-bonded Turntrans5439.7-171.4-55.6-87000112.4V120 A421 E422V120-F425 HydrophobicContact CB-CE2 4.02Å; V120-F425 HydrophobicContact CG1-CD2 3.82Å; V120-F425 HydrophobicContact CG1-CE2 3.76Å; A421-F425 PolarHBondContact O-N 3.05Å; E422-F425 PolarHBondContact O-N 3.04Å
426D69.9Low80.4Confident37 Ų3745.5 Ų45.520%0.19822%0.215CC..  trans-97.196.8176.2-168.9-47.5000109.4L388 A421 M424 M428 W429 Q430L388-D426 HydrophobicContact CD1-CB 4.43Å; L388-D426 VanDerWaalsContact CD1-OD2 3.3Å; L388-D426 WeakPolarHBondContact CD1-OD2 3.33Å; A421-D426 PolarHBondContact O-N 2.81Å; M424-D426 HydrophobicContact CB-CB 4.5Å; M424-D426 PolarHBondContact O-N 3.47Å; D426-M428 VanDerWaalsContact C-N 3.28Å; D426-M428 PolarHBondContact O-N 2.86Å; D426-M428 WeakPolarHBondContact OD1-CB 3.43Å; D426-M428 PolarHBondContact OD1-N 2.95Å; D426-W429 HydrophobicContact CB-CB 4.32Å; D426-W429 PolarHBondContact O-N 3.17Å; D426-W429 PolarHBondContact OD1-N 3.36Å; D426-Q430 WeakPolarHBondContact O-CB 3.22Å; D426-Q430 WeakPolarHBondContact O-CG 3.49Å; D426-Q430 PolarHBondContact O-N 3.19Å; D426-Q430 PolarHBondContact O-NE2 3.14Å
427D77.4Confident80.6Confident54 Ų5440.1 Ų40.129%0.28920%0.195SC..Hα-helixtrans-69.5-28.3-174.2-65.1-24.8000111.9Q430 L431D427-Q430 PolarHBondContact OD1-NE2 3.46Å; D427-L431 VanDerWaalsContact O-CB 3.28Å; D427-L431 WeakPolarHBondContact O-CB 3.29Å; D427-L431 PolarHBondContact O-N 3.41Å
428M76.3Confident80.7Confident59 Ų5940.1 Ų40.129%0.29120%0.195SC..Hα-helixtrans-68.5-46.6176178.962.161.800111.6D426 L431 R432D426-M428 VanDerWaalsContact C-N 3.28Å; D426-M428 PolarHBondContact O-N 2.86Å; D426-M428 WeakPolarHBondContact OD1-CB 3.43Å; D426-M428 PolarHBondContact OD1-N 2.95Å; M428-L431 WeakPolarHBondContact O-CB 3.48Å; M428-L431 PolarHBondContact O-N 2.63Å; M428-R432 WeakPolarHBondContact O-CG 3.3Å; M428-R432 PolarHBondContact O-N 3.05Å
429W78.9Confident80.7Confident45 Ų4543.3 Ų43.317%0.1721%0.209CC..Hα-helixtrans-74.5-32.1176.4-80.4115.7000112.7T391 W392 H395 A421 D426 L431 R432 A433T391-W429 HydrophobicContact CG2-CB 3.52Å; T391-W429 HydrophobicContact CG2-CD2 4.44Å; T391-W429 HydrophobicContact CG2-CG 3.9Å; W392-W429 HydrophobicContact CB-CH2 4.09Å; W392-W429 HydrophobicContact CB-CZ2 3.77Å; W392-W429 HydrophobicContact CB-CZ3 4.47Å; W392-W429 AromaticContact CD1-CH2 3.24Å; W392-W429 AromaticContact CD1-CZ2 3.55Å; W392-W429 AromaticContact CD1-CZ3 3.97Å; W392-W429 HydrophobicContact CG-CH2 4.01Å; W392-W429 AromaticContact CG-CZ2 3.95Å; W392-W429 HydrophobicContact CG-CZ2 3.95Å; H395-W429 HydrophobicContact CB-CE3 4.42Å; H395-W429 HydrophobicContact CB-CZ3 4.23Å; H395-W429 AromaticContact CG-CZ3 3.9Å; H395-W429 AromaticContact ND1-CZ3 3.79Å; A421-W429 HydrophobicContact CB-CB 4.08Å; D426-W429 HydrophobicContact CB-CB 4.32Å; D426-W429 PolarHBondContact O-N 3.17Å; D426-W429 PolarHBondContact OD1-N 3.36Å; W429-L431 VanDerWaalsContact C-N 3.3Å; W429-L431 PolarHBondContact O-N 2.82Å; W429-R432 HydrophobicContact CE3-CB 3.98Å; W429-R432 HydrophobicContact CE3-CG 4.45Å; W429-R432 HydrophobicContact CZ3-CB 4.11Å; W429-R432 VanDerWaalsContact CZ3-CD 3.43Å; W429-R432 HydrophobicContact CZ3-CG 4.41Å; W429-R432 PolarHBondContact O-N 3.37Å; W429-A433 VanDerWaalsContact O-CB 3.25Å; W429-A433 WeakPolarHBondContact O-CB 3.48Å; W429-A433 PolarHBondContact O-N 2.99Å
430Q84.3Confident80.9Confident20 Ų2041.1 Ų41.19%0.09319%0.192CC..Hα-helixtrans-58-46168.6-78.2172.365.800110.5A421 E422 D426 D427 T434 L460A421-Q430 HydrophobicContact CB-CB 4.27Å; A421-Q430 HydrophobicContact CB-CG 3.52Å; E422-Q430 HydrophobicContact CG-CG 3.91Å; D426-Q430 WeakPolarHBondContact O-CB 3.22Å; D426-Q430 WeakPolarHBondContact O-CG 3.49Å; D426-Q430 PolarHBondContact O-N 3.19Å; D426-Q430 PolarHBondContact O-NE2 3.14Å; D427-Q430 PolarHBondContact OD1-NE2 3.46Å; Q430-T434 WeakPolarHBondContact O-CB 3.37Å; Q430-T434 PolarHBondContact O-N 2.95Å; Q430-T434 PolarHBondContact O-OG1 3.47Å; Q430-L460 HydrophobicContact CB-CD1 4.12Å
431L83Confident81.5Confident5 Ų540.4 Ų40.43%0.02619%0.187CC..Hα-helixtrans-57.7-55.7176.717260.4000111.2D427 M428 W429 A433 T434 V435 A457 L460 A461 A469 I473D427-L431 VanDerWaalsContact O-CB 3.28Å; D427-L431 WeakPolarHBondContact O-CB 3.29Å; D427-L431 PolarHBondContact O-N 3.41Å; M428-L431 WeakPolarHBondContact O-CB 3.48Å; M428-L431 PolarHBondContact O-N 2.63Å; W429-L431 VanDerWaalsContact C-N 3.3Å; W429-L431 PolarHBondContact O-N 2.82Å; L431-A433 PolarHBondContact O-N 3.44Å; L431-T434 PolarHBondContact O-N 3.41Å; L431-V435 HydrophobicContact CD1-CG2 4.36Å; L431-V435 WeakPolarHBondContact O-CG2 3.32Å; L431-V435 PolarHBondContact O-N 3.4Å; L431-A457 HydrophobicContact CD1-CB 3.93Å; L431-A457 WeakPolarHBondContact CD1-O 3.36Å; L431-L460 HydrophobicContact CB-CB 4.15Å; L431-L460 HydrophobicContact CB-CD1 4.5Å; L431-L460 HydrophobicContact CD1-CB 3.98Å; L431-A461 HydrophobicContact CD1-CB 4.04Å; L431-A461 HydrophobicContact CD2-CB 4.01Å; L431-A469 HydrophobicContact CD2-CB 4.47Å; L431-I473 HydrophobicContact CD1-CD1 3.68Å
432R80.9Confident82.1Confident118 Ų11841.9 Ų41.945%0.44519%0.194SC..Hα-helixtrans-58.3-47.8-178.2-70.5171.3-179.5-104.1-1.9112.3M428 W429 T434 V435 L436M428-R432 WeakPolarHBondContact O-CG 3.3Å; M428-R432 PolarHBondContact O-N 3.05Å; W429-R432 HydrophobicContact CE3-CB 3.98Å; W429-R432 HydrophobicContact CE3-CG 4.45Å; W429-R432 HydrophobicContact CZ3-CB 4.11Å; W429-R432 VanDerWaalsContact CZ3-CD 3.43Å; W429-R432 HydrophobicContact CZ3-CG 4.41Å; W429-R432 PolarHBondContact O-N 3.37Å; R432-T434 PolarHBondContact O-N 3.16Å; R432-V435 PolarHBondContact O-N 3.03Å; R432-L436 PolarHBondContact O-N 3.17Å
433A85.2Confident82.7Confident0 Ų043 Ų430%020%0.198CC..Hα-helixtrans-67.5-34.3178.700000112.8S417 I418 W429 L431 L436 V437S417-A433 WeakPolarHBondContact OG-CB 3.37Å; I418-A433 HydrophobicContact CB-CB 4.5Å; I418-A433 HydrophobicContact CG1-CB 3.53Å; W429-A433 VanDerWaalsContact O-CB 3.25Å; W429-A433 WeakPolarHBondContact O-CB 3.48Å; W429-A433 PolarHBondContact O-N 2.99Å; L431-A433 PolarHBondContact O-N 3.44Å; A433-L436 PolarHBondContact O-N 3.03Å; A433-V437 WeakPolarHBondContact O-CG2 3.24Å; A433-V437 PolarHBondContact O-N 3.38Å
434T87.8Confident83.6Confident0 Ų039 Ų390%018%0.18CC..Hα-helixtrans-64.5-41.2173.8-59.50000111.4Q430 L431 R432 V437 G438 F453 K456 A457Q430-T434 WeakPolarHBondContact O-CB 3.37Å; Q430-T434 PolarHBondContact O-N 2.95Å; Q430-T434 PolarHBondContact O-OG1 3.47Å; L431-T434 PolarHBondContact O-N 3.41Å; R432-T434 PolarHBondContact O-N 3.16Å; T434-V437 PolarHBondContact O-N 3.07Å; T434-G438 PolarHBondContact O-N 3.36Å; T434-F453 HydrophobicContact CG2-CB 4.4Å; T434-F453 HydrophobicContact CG2-CD1 4.05Å; T434-F453 WeakPolarHBondContact CG2-O 3.32Å; T434-K456 HydrophobicContact CG2-CB 4.02Å; T434-K456 HydrophobicContact CG2-CD 4.15Å; T434-K456 HydrophobicContact CG2-CG 4.16Å; T434-A457 HydrophobicContact CG2-CB 3.86Å
435V86.4Confident84.7Confident28 Ų2837.7 Ų37.717%0.1718%0.18CC..Hα-helixtrans-61.7-45.6174.2172.10000111.1L431 R432 V437 G438 Q439 F454 A457 I473L431-V435 HydrophobicContact CD1-CG2 4.36Å; L431-V435 WeakPolarHBondContact O-CG2 3.32Å; L431-V435 PolarHBondContact O-N 3.4Å; R432-V435 PolarHBondContact O-N 3.03Å; V435-V437 VanDerWaalsContact C-N 3.32Å; V435-V437 PolarHBondContact O-N 3.46Å; V435-G438 PolarHBondContact O-N 3.19Å; V435-G438 VanDerWaalsContact O-N 3.17Å; V435-Q439 HydrophobicContact CG1-CG 4.35Å; V435-Q439 WeakPolarHBondContact O-CG 3.44Å; V435-Q439 PolarHBondContact O-N 3.11Å; V435-F454 HydrophobicContact CG1-CE1 4.44Å; V435-A457 HydrophobicContact CG2-CB 3.73Å; V435-I473 HydrophobicContact CG2-CD1 3.86Å; V435-I473 HydrophobicContact CG2-CG1 3.84Å
436L87.8Confident85.9Confident2 Ų235.3 Ų35.31%0.0117%0.173CC..Hα-helixtrans-58.4-42.4177.5174.362.7000112.2H395 L402 R432 A433 S440H395-L436 WeakPolarHBondContact O-CD2 3.3Å; L402-L436 HydrophobicContact CD2-CD1 4.28Å; R432-L436 PolarHBondContact O-N 3.17Å; A433-L436 PolarHBondContact O-N 3.03Å; L436-S440 WeakPolarHBondContact O-CB 3.3Å; L436-S440 PolarHBondContact O-N 3.03Å; L436-S440 PolarHBondContact O-OG 3.01Å
437V92.5Very high87Confident0 Ų034.9 Ų34.90%017%0.17CC..Hα-helixtrans-65.5-44.8175.4174.50000110.8R411 G414 L415 I418 A433 T434 V435 Q439 S440 E441 F453R411-V437 HydrophobicContact CG-CG1 4.19Å; G414-V437 VanDerWaalsContact C-CG2 3.46Å; L415-V437 HydrophobicContact CD2-CG1 4.12Å; L415-V437 HydrophobicContact CD2-CG2 4.15Å; L415-V437 HydrophobicContact CG-CG1 4.43Å; L415-V437 HydrophobicContact CG-CG2 4.08Å; I418-V437 HydrophobicContact CD1-CB 4.33Å; I418-V437 HydrophobicContact CD1-CG2 3.76Å; A433-V437 WeakPolarHBondContact O-CG2 3.24Å; A433-V437 PolarHBondContact O-N 3.38Å; T434-V437 PolarHBondContact O-N 3.07Å; V435-V437 VanDerWaalsContact C-N 3.32Å; V435-V437 PolarHBondContact O-N 3.46Å; V437-Q439 VanDerWaalsContact C-N 3.33Å; V437-Q439 PolarHBondContact O-N 3.28Å; V437-S440 WeakPolarHBondContact O-CB 3.21Å; V437-S440 PolarHBondContact O-N 2.73Å; V437-S440 VanDerWaalsContact O-N 3.14Å; V437-E441 HydrophobicContact CG1-CG 4.3Å; V437-E441 WeakPolarHBondContact O-CG 3.43Å; V437-E441 PolarHBondContact O-N 2.78Å; V437-F453 HydrophobicContact CB-CD1 4.3Å; V437-F453 HydrophobicContact CB-CE1 4.44Å; V437-F453 HydrophobicContact CB-CG 4.44Å; V437-F453 HydrophobicContact CG1-CD1 3.87Å; V437-F453 HydrophobicContact CG1-CD2 3.66Å; V437-F453 HydrophobicContact CG1-CE1 3.75Å; V437-F453 HydrophobicContact CG1-CE2 3.54Å; V437-F453 HydrophobicContact CG1-CG 3.84Å; V437-F453 HydrophobicContact CG1-CZ 3.59Å
438G88.3Confident87.7Confident0 Ų039.1 Ų39.10%019%0.188CC..Hα-helixtrans-58.6-42176.700000113.2T434 V435 L442 S450 F454T434-G438 PolarHBondContact O-N 3.36Å; V435-G438 PolarHBondContact O-N 3.19Å; V435-G438 VanDerWaalsContact O-N 3.17Å; G438-L442 WeakPolarHBondContact O-CB 3.48Å; G438-L442 PolarHBondContact O-N 3.46Å; G438-S450 PolarHBondContact O-OG 3.28Å; G438-F454 VanDerWaalsContact C-CZ 3.46Å
439Q87.1Confident88.5Confident77 Ų7738.3 Ų38.336%0.3619%0.188SC..Hα-helixtrans-66.2-39.7174.1-71.7175.5-20.800112.6L402 V435 V437 L442 K443 F454L402-Q439 HydrophobicContact CD2-CB 4.18Å; V435-Q439 HydrophobicContact CG1-CG 4.35Å; V435-Q439 WeakPolarHBondContact O-CG 3.44Å; V435-Q439 PolarHBondContact O-N 3.11Å; V437-Q439 VanDerWaalsContact C-N 3.33Å; V437-Q439 PolarHBondContact O-N 3.28Å; Q439-L442 WeakPolarHBondContact O-CB 3.24Å; Q439-L442 PolarHBondContact O-N 3.08Å; Q439-K443 PolarHBondContact O-N 3.34Å; Q439-F454 HydrophobicContact CG-CE1 4.16Å; Q439-F454 HydrophobicContact CG-CZ 3.95Å
440S91.5Very high89Confident0 Ų036.1 Ų36.10%018%0.18CC..Hα-helixtrans-64.8-43.6177.3-58.10000111.3A410 R411 L436 V437 K443 L444A410-S440 WeakPolarHBondContact CB-OG 3.31Å; R411-S440 PolarHBondContact N-OG 3.4Å; L436-S440 WeakPolarHBondContact O-CB 3.3Å; L436-S440 PolarHBondContact O-N 3.03Å; L436-S440 PolarHBondContact O-OG 3.01Å; V437-S440 WeakPolarHBondContact O-CB 3.21Å; V437-S440 PolarHBondContact O-N 2.73Å; V437-S440 VanDerWaalsContact O-N 3.14Å; S440-K443 PolarHBondContact O-N 3.26Å; S440-L444 WeakPolarHBondContact O-CG 3.41Å; S440-L444 PolarHBondContact O-N 2.96Å
441E90.6Very high89.4Confident13 Ų1335.9 Ų35.96%0.06118%0.179CC..Hα-helixtrans-67.1-36.3176.5-67.4-69.5-172.100112.4R411 V437 L444 G445 N446 F453R411-E441 WeakPolarHBondContact CD-OE1 3.26Å; R411-E441 IonicContact NH1-OE1 3.83Å; V437-E441 HydrophobicContact CG1-CG 4.3Å; V437-E441 WeakPolarHBondContact O-CG 3.43Å; V437-E441 PolarHBondContact O-N 2.78Å; E441-L444 PolarHBondContact O-N 3.3Å; E441-L444 VanDerWaalsContact O-N 3.15Å; E441-G445 PolarHBondContact O-N 2.84Å; E441-N446 HydrophobicContact CB-CB 4.37Å; E441-N446 PolarHBondContact O-N 2.93Å; E441-N446 VanDerWaalsContact OE2-CB 3.27Å; E441-N446 WeakPolarHBondContact OE2-CB 3.17Å; E441-N446 PolarHBondContact OE2-ND2 3.06Å; E441-F453 HydrophobicContact CG-CD2 4.34Å; E441-F453 HydrophobicContact CG-CE2 4.5Å
442L88.7Confident90Very high31 Ų3139.2 Ų39.216%0.16220%0.203CC..Hα-helixtrans-58.9-48.3172.8-173.761.7000110.8G438 Q439 L444 G445 F447 S450 F454 A480G438-L442 WeakPolarHBondContact O-CB 3.48Å; G438-L442 PolarHBondContact O-N 3.46Å; Q439-L442 WeakPolarHBondContact O-CB 3.24Å; Q439-L442 PolarHBondContact O-N 3.08Å; L442-L444 PolarHBondContact O-N 3.33Å; L442-G445 PolarHBondContact O-N 3.39Å; L442-G445 VanDerWaalsContact O-N 3.12Å; L442-F447 HydrophobicContact CD1-CD1 3.79Å; L442-F447 HydrophobicContact CD1-CE1 3.99Å; L442-S450 WeakPolarHBondContact CB-OG 3.34Å; L442-F454 HydrophobicContact CD2-CE2 4.43Å; L442-A480 HydrophobicContact CD1-CB 3.91Å
443K90.7Very high90.5Very high106 Ų10635.5 Ų35.546%0.46119%0.19SC..Hα-helixtrans-64.9-25.7176-75.6-162.8-179-171.30113.4L402 P407 Q439 S440 G445L402-K443 HydrophobicContact CD1-CD 3.88Å; L402-K443 HydrophobicContact CG-CD 4.29Å; L402-K443 PolarHBondContact O-NZ 3.49Å; P407-K443 HydrophobicContact CB-CB 3.83Å; P407-K443 HydrophobicContact CG-CB 4.2Å; Q439-K443 PolarHBondContact O-N 3.34Å; S440-K443 PolarHBondContact O-N 3.26Å; K443-G445 VanDerWaalsContact C-N 3.3Å
444L92.6Very high90.6Very high46 Ų4635.5 Ų35.524%0.24119%0.19CC..Hα-helixtrans-79.4-11.2175.6-73.1168.7000113.3P407 K408 S440 E441 L442 N446P407-L444 HydrophobicContact CB-CD2 4.22Å; P407-L444 HydrophobicContact CB-CG 4.02Å; P407-L444 HydrophobicContact CG-CD2 3.74Å; P407-L444 HydrophobicContact CG-CG 4.05Å; K408-L444 HydrophobicContact CG-CD1 4.48Å; K408-L444 HydrophobicContact CG-CD2 3.57Å; S440-L444 WeakPolarHBondContact O-CG 3.41Å; S440-L444 PolarHBondContact O-N 2.96Å; E441-L444 PolarHBondContact O-N 3.3Å; E441-L444 VanDerWaalsContact O-N 3.15Å; L442-L444 PolarHBondContact O-N 3.33Å; L444-N446 VanDerWaalsContact C-N 3.3Å
445G90.9Very high90.8Very high25 Ų2539.4 Ų39.426%0.25821%0.208SC..THydrogen-bonded Turntrans809.6-17300000114E441 L442 K443 F447E441-G445 PolarHBondContact O-N 2.84Å; L442-G445 PolarHBondContact O-N 3.39Å; L442-G445 VanDerWaalsContact O-N 3.12Å; K443-G445 VanDerWaalsContact C-N 3.3Å; G445-F447 VanDerWaalsContact C-N 3.25Å; G445-F447 PolarHBondContact O-N 3.09Å
446N93.4Very high91Very high75 Ų7541.7 Ų41.740%0.40122%0.216SC..  trans-86.865.8178-65.1-27.2000109.8E441 L444 E448 S449 S450E441-N446 HydrophobicContact CB-CB 4.37Å; E441-N446 PolarHBondContact O-N 2.93Å; E441-N446 VanDerWaalsContact OE2-CB 3.27Å; E441-N446 WeakPolarHBondContact OE2-CB 3.17Å; E441-N446 PolarHBondContact OE2-ND2 3.06Å; L444-N446 VanDerWaalsContact C-N 3.3Å; N446-E448 PolarHBondContact O-N 3.42Å; N446-S449 PolarHBondContact O-N 3.08Å; N446-S450 PolarHBondContact O-N 3.03Å
447F92.1Very high90.9Very high29 Ų2941.6 Ų41.613%0.12722%0.215CC..Hα-helixtrans-62.3-37.4-167.6-54.5-54.7000113.5L442 G445 S449 S450 V451 Q483 L484 Q487L442-F447 HydrophobicContact CD1-CD1 3.79Å; L442-F447 HydrophobicContact CD1-CE1 3.99Å; G445-F447 VanDerWaalsContact C-N 3.25Å; G445-F447 PolarHBondContact O-N 3.09Å; F447-S449 PolarHBondContact O-N 3.16Å; F447-S450 WeakPolarHBondContact O-CB 3.46Å; F447-S450 PolarHBondContact O-N 3.44Å; F447-V451 WeakPolarHBondContact O-CG2 3.48Å; F447-V451 PolarHBondContact O-N 3.45Å; F447-Q483 HydrophobicContact CD1-CB 3.69Å; F447-Q483 HydrophobicContact CD2-CB 4.26Å; F447-Q483 HydrophobicContact CE1-CB 3.58Å; F447-Q483 HydrophobicContact CE1-CG 4.15Å; F447-Q483 HydrophobicContact CE2-CB 4.17Å; F447-Q483 HydrophobicContact CG-CB 4.05Å; F447-Q483 HydrophobicContact CZ-CB 3.84Å; F447-Q483 HydrophobicContact CZ-CG 4.5Å; F447-L484 HydrophobicContact CB-CB 3.82Å; F447-L484 HydrophobicContact CB-CD1 3.95Å; F447-L484 HydrophobicContact CB-CG 4.44Å; F447-Q487 HydrophobicContact CD2-CB 4.26Å; F447-Q487 VanDerWaalsContact CD2-OE1 3.27Å; F447-Q487 HydrophobicContact CE2-CB 4.31Å
448E93.6Very high90.6Very high143 Ų14342.8 Ų42.867%0.66822%0.222SC*.Hα-helixtrans-60.3-45.8175.7-64.7-174.3165.800112.5N446 V451 S452 L484N446-E448 PolarHBondContact O-N 3.42Å; E448-V451 PolarHBondContact O-N 3.26Å; E448-S452 PolarHBondContact O-N 3.11Å; E448-S452 VanDerWaalsContact O-N 3.09Å; E448-L484 HydrophobicContact CG-CD1 3.67Å; E448-L484 HydrophobicContact CG-CD2 4.28Å
449S93.1Very high90.7Very high41 Ų4147.7 Ų47.729%0.28725%0.248SC..Hα-helixtrans-64-45.2177.2-172.70000110.3N446 F447 V451 S452 F453N446-S449 PolarHBondContact O-N 3.08Å; F447-S449 PolarHBondContact O-N 3.16Å; S449-V451 PolarHBondContact O-N 3.38Å; S449-S452 WeakPolarHBondContact O-CB 3.33Å; S449-S452 PolarHBondContact O-N 3.49Å; S449-S452 VanDerWaalsContact O-N 3.16Å; S449-F453 VanDerWaalsContact O-CD2 3.22Å; S449-F453 WeakPolarHBondContact O-CD2 3.49Å; S449-F453 PolarHBondContact O-N 3.49Å; S449-F453 WeakPolarHBondContact OG-CE2 3.47Å
450S88.8Confident90.4Very high0 Ų045 Ų450%024%0.236CC..Hα-helixtrans-56.7-48.1177.3-176.60000112.4G438 L442 N446 F447 S452 F453 F454G438-S450 PolarHBondContact O-OG 3.28Å; L442-S450 WeakPolarHBondContact CB-OG 3.34Å; N446-S450 PolarHBondContact O-N 3.03Å; F447-S450 WeakPolarHBondContact O-CB 3.46Å; F447-S450 PolarHBondContact O-N 3.44Å; S450-S452 VanDerWaalsContact C-N 3.35Å; S450-S452 PolarHBondContact O-N 3.26Å; S450-F453 PolarHBondContact O-N 3.36Å; S450-F454 VanDerWaalsContact O-CD2 3.26Å; S450-F454 WeakPolarHBondContact O-CD2 3.4Å; S450-F454 PolarHBondContact O-N 3.06Å; S450-F454 WeakPolarHBondContact OG-CE2 3.37Å
451V93.3Very high89.8Confident15 Ų1545 Ų459%0.09124%0.236CC..Hα-helixtrans-58.1-46.4175.4168.40000110.9F447 E448 S449 F453 F454 E455 L477 A480 K481F447-V451 WeakPolarHBondContact O-CG2 3.48Å; F447-V451 PolarHBondContact O-N 3.45Å; E448-V451 PolarHBondContact O-N 3.26Å; S449-V451 PolarHBondContact O-N 3.38Å; V451-F453 VanDerWaalsContact C-N 3.34Å; V451-F453 PolarHBondContact O-N 3.15Å; V451-F454 PolarHBondContact O-N 2.88Å; V451-E455 HydrophobicContact CG1-CG 4.43Å; V451-E455 WeakPolarHBondContact O-CG 3.18Å; V451-E455 PolarHBondContact O-N 3.27Å; V451-L477 HydrophobicContact CB-CD1 4.39Å; V451-L477 HydrophobicContact CG1-CD1 3.95Å; V451-L477 HydrophobicContact CG2-CD1 4.49Å; V451-A480 HydrophobicContact CG2-CB 3.8Å; V451-K481 HydrophobicContact CG1-CG 4.36Å; V451-K481 HydrophobicContact CG2-CG 3.88Å
452S95.3Very high89.4Confident75 Ų7549.9 Ų49.952%0.52426%0.259SS..Hα-helixtrans-59.8-42.8178.6-1750000112.7E448 S449 S450 E455 K456E448-S452 PolarHBondContact O-N 3.11Å; E448-S452 VanDerWaalsContact O-N 3.09Å; S449-S452 WeakPolarHBondContact O-CB 3.33Å; S449-S452 PolarHBondContact O-N 3.49Å; S449-S452 VanDerWaalsContact O-N 3.16Å; S450-S452 VanDerWaalsContact C-N 3.35Å; S450-S452 PolarHBondContact O-N 3.26Å; S452-E455 PolarHBondContact O-N 3.32Å; S452-K456 PolarHBondContact O-N 3.16Å
453F90.5Very high88.9Confident39 Ų3954.2 Ų54.217%0.17128%0.281CS..Hα-helixtrans-68.3-41.1176.9-80.4-69.9000112.2L415 I418 T434 V437 E441 S449 S450 V451 E455 K456 A457L415-F453 HydrophobicContact CD2-CE1 4.35Å; L415-F453 HydrophobicContact CD2-CZ 4.03Å; I418-F453 HydrophobicContact CD1-CE1 4.42Å; T434-F453 HydrophobicContact CG2-CB 4.4Å; T434-F453 HydrophobicContact CG2-CD1 4.05Å; T434-F453 WeakPolarHBondContact CG2-O 3.32Å; V437-F453 HydrophobicContact CB-CD1 4.3Å; V437-F453 HydrophobicContact CB-CE1 4.44Å; V437-F453 HydrophobicContact CB-CG 4.44Å; V437-F453 HydrophobicContact CG1-CD1 3.87Å; V437-F453 HydrophobicContact CG1-CD2 3.66Å; V437-F453 HydrophobicContact CG1-CE1 3.75Å; V437-F453 HydrophobicContact CG1-CE2 3.54Å; V437-F453 HydrophobicContact CG1-CG 3.84Å; V437-F453 HydrophobicContact CG1-CZ 3.59Å; E441-F453 HydrophobicContact CG-CD2 4.34Å; E441-F453 HydrophobicContact CG-CE2 4.5Å; S449-F453 VanDerWaalsContact O-CD2 3.22Å; S449-F453 WeakPolarHBondContact O-CD2 3.49Å; S449-F453 PolarHBondContact O-N 3.49Å; S449-F453 WeakPolarHBondContact OG-CE2 3.47Å; S450-F453 PolarHBondContact O-N 3.36Å; V451-F453 VanDerWaalsContact C-N 3.34Å; V451-F453 PolarHBondContact O-N 3.15Å; F453-E455 PolarHBondContact O-N 2.96Å; F453-K456 PolarHBondContact O-N 2.89Å; F453-A457 WeakPolarHBondContact O-CB 3.26Å; F453-A457 PolarHBondContact O-N 2.88Å
454F88.2Confident88Confident1 Ų152.8 Ų52.80%0.00428%0.277CS..Hα-helixtrans-66.4-35.4175.7-73.9-47.6000112.8V435 G438 Q439 L442 S450 V451 A457 L458 I473 A476 L477 A480V435-F454 HydrophobicContact CG1-CE1 4.44Å; G438-F454 VanDerWaalsContact C-CZ 3.46Å; Q439-F454 HydrophobicContact CG-CE1 4.16Å; Q439-F454 HydrophobicContact CG-CZ 3.95Å; L442-F454 HydrophobicContact CD2-CE2 4.43Å; S450-F454 VanDerWaalsContact O-CD2 3.26Å; S450-F454 WeakPolarHBondContact O-CD2 3.4Å; S450-F454 PolarHBondContact O-N 3.06Å; S450-F454 WeakPolarHBondContact OG-CE2 3.37Å; V451-F454 PolarHBondContact O-N 2.88Å; F454-A457 PolarHBondContact O-N 3.4Å; F454-L458 WeakPolarHBondContact O-CB 3.48Å; F454-L458 PolarHBondContact O-N 2.91Å; F454-I473 HydrophobicContact CD1-CG2 4.46Å; F454-I473 WeakPolarHBondContact O-CG2 3.33Å; F454-A476 HydrophobicContact CD1-CB 4.28Å; F454-A476 HydrophobicContact CE1-CB 3.86Å; F454-A476 HydrophobicContact CE2-CB 4.12Å; F454-A476 HydrophobicContact CZ-CB 3.77Å; F454-L477 HydrophobicContact CB-CB 4.04Å; F454-L477 HydrophobicContact CB-CD1 3.76Å; F454-L477 HydrophobicContact CB-CG 4.45Å; F454-A480 HydrophobicContact CD2-CB 4.05Å; F454-A480 HydrophobicContact CE2-CB 4.19Å
455E91.9Very high87.2Confident81 Ų8157.6 Ų57.638%0.37930%0.302SS..Hα-helixtrans-66-40.5171.9-72.2-179.6168.400111.7V451 S452 F453 A457 L458 N459 L477 K481V451-E455 HydrophobicContact CG1-CG 4.43Å; V451-E455 WeakPolarHBondContact O-CG 3.18Å; V451-E455 PolarHBondContact O-N 3.27Å; S452-E455 PolarHBondContact O-N 3.32Å; F453-E455 PolarHBondContact O-N 2.96Å; E455-A457 VanDerWaalsContact C-N 3.34Å; E455-L458 PolarHBondContact O-N 3.1Å; E455-N459 PolarHBondContact O-N 3.21Å; E455-N459 VanDerWaalsContact O-N 3.13Å; E455-N459 PolarHBondContact O-ND2 2.92Å; E455-L477 HydrophobicContact CG-CD1 3.83Å; E455-L477 HydrophobicContact CG-CD2 4.03Å; E455-K481 IonicContact OE1-NZ 3.53Å; E455-K481 PolarHBondContact OE1-NZ 3.36Å
456K90.9Very high86.3Confident76 Ų7658.8 Ų58.833%0.3330%0.303SS..Hα-helixtrans-60.5-44.7172.1-173.2-177.2178.4-171.30111.1E422 T434 S452 F453 N459 L460E422-K456 IonicContact OE1-NZ 2.7Å; E422-K456 PolarHBondContact OE1-NZ 3.33Å; T434-K456 HydrophobicContact CG2-CB 4.02Å; T434-K456 HydrophobicContact CG2-CD 4.15Å; T434-K456 HydrophobicContact CG2-CG 4.16Å; S452-K456 PolarHBondContact O-N 3.16Å; F453-K456 PolarHBondContact O-N 2.89Å; K456-N459 PolarHBondContact O-N 2.9Å; K456-L460 WeakPolarHBondContact O-CG 3.4Å; K456-L460 PolarHBondContact O-N 3.18Å
457A85.2Confident85.3Confident0 Ų057.2 Ų57.20%030%0.304CS..Hα-helixtrans-63.6-40.2177.500000112L431 T434 V435 F453 F454 E455 N459 L460 A461 I473L431-A457 HydrophobicContact CD1-CB 3.93Å; L431-A457 WeakPolarHBondContact CD1-O 3.36Å; T434-A457 HydrophobicContact CG2-CB 3.86Å; V435-A457 HydrophobicContact CG2-CB 3.73Å; F453-A457 WeakPolarHBondContact O-CB 3.26Å; F453-A457 PolarHBondContact O-N 2.88Å; F454-A457 PolarHBondContact O-N 3.4Å; E455-A457 VanDerWaalsContact C-N 3.34Å; A457-N459 PolarHBondContact O-N 2.93Å; A457-L460 PolarHBondContact O-N 2.89Å; A457-A461 PolarHBondContact O-N 3.06Å; A457-I473 HydrophobicContact CB-CD1 4.13Å; A457-I473 HydrophobicContact CB-CG2 4.12Å
458L87.1Confident84.3Confident25 Ų2562.7 Ų62.713%0.13133%0.332CS..Hα-helixtrans-61.5-46.5177.9-167.973.7000111.2F454 E455 L460 A461 E462 L470 I473 Q474 L477F454-L458 WeakPolarHBondContact O-CB 3.48Å; F454-L458 PolarHBondContact O-N 2.91Å; E455-L458 PolarHBondContact O-N 3.1Å; L458-L460 VanDerWaalsContact C-N 3.28Å; L458-L460 PolarHBondContact O-N 3.42Å; L458-A461 PolarHBondContact O-N 3.17Å; L458-A461 VanDerWaalsContact O-N 3.16Å; L458-E462 WeakPolarHBondContact O-CG 3.17Å; L458-E462 PolarHBondContact O-N 2.73Å; L458-L470 HydrophobicContact CD1-CD2 3.66Å; L458-L470 HydrophobicContact CG-CD2 4.24Å; L458-I473 HydrophobicContact CB-CG2 4.06Å; L458-I473 HydrophobicContact CD1-CB 4.36Å; L458-I473 HydrophobicContact CD1-CG2 4.11Å; L458-Q474 HydrophobicContact CD1-CB 4.45Å; L458-L477 HydrophobicContact CD2-CD2 4.33Å
459N88.6Confident83.1Confident104 Ų10456.8 Ų56.856%0.55631%0.308SS*.Hα-helixtrans-59.5-37.4175.9-72.7-65000112.7E455 K456 A457 L463E455-N459 PolarHBondContact O-N 3.21Å; E455-N459 VanDerWaalsContact O-N 3.13Å; E455-N459 PolarHBondContact O-ND2 2.92Å; K456-N459 PolarHBondContact O-N 2.9Å; A457-N459 PolarHBondContact O-N 2.93Å; N459-L463 PolarHBondContact O-N 2.99Å
460L80.9Confident82.3Confident21 Ų2156.6 Ų56.611%0.1130%0.304CS..Hα-helixtrans-69.9-41.1175.9-72.4170.3000111.6Q430 L431 K456 A457 L458 E462 L463 E464Q430-L460 HydrophobicContact CB-CD1 4.12Å; L431-L460 HydrophobicContact CB-CB 4.15Å; L431-L460 HydrophobicContact CB-CD1 4.5Å; L431-L460 HydrophobicContact CD1-CB 3.98Å; K456-L460 WeakPolarHBondContact O-CG 3.4Å; K456-L460 PolarHBondContact O-N 3.18Å; A457-L460 PolarHBondContact O-N 2.89Å; L458-L460 VanDerWaalsContact C-N 3.28Å; L458-L460 PolarHBondContact O-N 3.42Å; L460-E462 VanDerWaalsContact C-N 3.33Å; L460-E462 PolarHBondContact O-N 3.41Å; L460-L463 WeakPolarHBondContact O-CB 3.34Å; L460-L463 PolarHBondContact O-N 3.18Å; L460-E464 PolarHBondContact O-N 2.85Å; L460-E464 VanDerWaalsContact O-N 3.14Å
461A79.3Confident81.6Confident0 Ų062.4 Ų62.40%034%0.335CS..Hα-helixtrans-65.9-34176.400000112.8L431 A457 L458 L463 E464 N465 D466 A469 L470 I473L431-A461 HydrophobicContact CD1-CB 4.04Å; L431-A461 HydrophobicContact CD2-CB 4.01Å; A457-A461 PolarHBondContact O-N 3.06Å; L458-A461 PolarHBondContact O-N 3.17Å; L458-A461 VanDerWaalsContact O-N 3.16Å; A461-L463 VanDerWaalsContact C-N 3.31Å; A461-E464 PolarHBondContact O-N 3.46Å; A461-N465 PolarHBondContact O-N 3.08Å; A461-N465 VanDerWaalsContact O-N 3.11Å; A461-D466 PolarHBondContact O-N 2.7Å; A461-A469 HydrophobicContact CB-CB 4.23Å; A461-L470 HydrophobicContact CB-CD2 3.66Å; A461-L470 HydrophobicContact CB-CG 3.96Å; A461-I473 HydrophobicContact CB-CD1 3.92Å
462E82Confident80.8Confident115 Ų11564.8 Ų64.854%0.53736%0.355SS..Hα-helixtrans-64.6-37.1173-72.5-175.8169.700111.7L458 L460 N465 L470L458-E462 WeakPolarHBondContact O-CG 3.17Å; L458-E462 PolarHBondContact O-N 2.73Å; L460-E462 VanDerWaalsContact C-N 3.33Å; L460-E462 PolarHBondContact O-N 3.41Å; E462-N465 PolarHBondContact O-N 3.48Å; E462-L470 HydrophobicContact CB-CD2 4.39Å; E462-L470 HydrophobicContact CG-CD1 4.46Å; E462-L470 HydrophobicContact CG-CD2 3.54Å
463L79.5Confident80.1Confident121 Ų12161.6 Ų61.663%0.63433%0.332SS*.Hα-helixtrans-67.2-39.3177.8-17268.2000112N459 L460 A461 N465N459-L463 PolarHBondContact O-N 2.99Å; L460-L463 WeakPolarHBondContact O-CB 3.34Å; L460-L463 PolarHBondContact O-N 3.18Å; A461-L463 VanDerWaalsContact C-N 3.31Å; L463-N465 VanDerWaalsContact C-N 3.3Å
464E70.4Confident79.7Confident77 Ų7763 Ų6336%0.3634%0.34SS..Hα-helixtrans-79.4-9.4178.5-69.1-62.4126.800113.5L460 A461 D466L460-E464 PolarHBondContact O-N 2.85Å; L460-E464 VanDerWaalsContact O-N 3.14Å; A461-E464 PolarHBondContact O-N 3.46Å; E464-D466 PolarHBondContact O-N 3.43Å
465N77.4Confident79.4Confident146 Ų14670.3 Ų70.378%0.78137%0.371SS*.THydrogen-bonded Turntrans58.232.2-177.3-158.541000113.3A461 E462 L463 G467A461-N465 PolarHBondContact O-N 3.08Å; A461-N465 VanDerWaalsContact O-N 3.11Å; E462-N465 PolarHBondContact O-N 3.48Å; L463-N465 VanDerWaalsContact C-N 3.3Å; N465-G467 PolarHBondContact O-N 3.29Å
466D71.4Confident78.9Confident50 Ų5067.3 Ų67.327%0.26736%0.361SS..  trans-89.494.2177.9-173.1-20.9000110.9A461 E464 M468 A469 L470A461-D466 PolarHBondContact O-N 2.7Å; E464-D466 PolarHBondContact O-N 3.43Å; D466-M468 VanDerWaalsContact C-N 3.26Å; D466-M468 PolarHBondContact O-N 3.31Å; D466-M468 PolarHBondContact OD1-N 3.27Å; D466-A469 HydrophobicContact CB-CB 3.9Å; D466-A469 VanDerWaalsContact CG-CB 3.45Å; D466-A469 PolarHBondContact O-N 3Å; D466-A469 PolarHBondContact OD1-N 2.85Å; D466-L470 VanDerWaalsContact O-CG 3.28Å; D466-L470 WeakPolarHBondContact O-CG 3.26Å; D466-L470 PolarHBondContact O-N 3.33Å
467G71.7Confident78.7Confident42 Ų4263.9 Ų63.943%0.43335%0.346SS..Hα-helixtrans-63.2-26-179.900000114.9N465 N471N465-G467 PolarHBondContact O-N 3.29Å; G467-N471 PolarHBondContact O-N 3.48Å; G467-N471 PolarHBondContact O-ND2 3.37Å; G467-N471 VanDerWaalsContact O-ND2 3.14Å
468M71.3Confident78.8Confident144 Ų14467.8 Ų67.871%0.70937%0.367SS*.Hα-helixtrans-77.6-45178-70.6-170.7-71.300110.7D466 L470 N471 A472D466-M468 VanDerWaalsContact C-N 3.26Å; D466-M468 PolarHBondContact O-N 3.31Å; D466-M468 PolarHBondContact OD1-N 3.27Å; M468-L470 VanDerWaalsContact C-N 3.32Å; M468-L470 PolarHBondContact O-N 3.23Å; M468-N471 PolarHBondContact O-N 2.66Å; M468-A472 PolarHBondContact O-N 2.86Å; M468-A472 VanDerWaalsContact O-N 3.1Å
469A68.3Low78.9Confident19 Ų1971.1 Ų71.116%0.15738%0.382CS..Hα-helixtrans-60.3-43.1174.500000111.2L431 A461 D466 N471 A472 I473L431-A469 HydrophobicContact CD2-CB 4.47Å; A461-A469 HydrophobicContact CB-CB 4.23Å; D466-A469 HydrophobicContact CB-CB 3.9Å; D466-A469 VanDerWaalsContact CG-CB 3.45Å; D466-A469 PolarHBondContact O-N 3Å; D466-A469 PolarHBondContact OD1-N 2.85Å; A469-N471 PolarHBondContact O-N 3.43Å; A469-A472 PolarHBondContact O-N 3.43Å; A469-I473 HydrophobicContact CB-CD1 4.28Å; A469-I473 WeakPolarHBondContact O-CB 3.18Å; A469-I473 WeakPolarHBondContact O-CD1 3.29Å; A469-I473 WeakPolarHBondContact O-CG1 3.49Å; A469-I473 PolarHBondContact O-N 3.26Å
470L75.6Confident79Confident38 Ų3866.2 Ų66.220%0.19936%0.355CS..Hα-helixtrans-55.2-49.9176.4-76.2171.9000112.6L458 A461 E462 D466 M468 A472 I473 Q474L458-L470 HydrophobicContact CD1-CD2 3.66Å; L458-L470 HydrophobicContact CG-CD2 4.24Å; A461-L470 HydrophobicContact CB-CD2 3.66Å; A461-L470 HydrophobicContact CB-CG 3.96Å; E462-L470 HydrophobicContact CB-CD2 4.39Å; E462-L470 HydrophobicContact CG-CD1 4.46Å; E462-L470 HydrophobicContact CG-CD2 3.54Å; D466-L470 VanDerWaalsContact O-CG 3.28Å; D466-L470 WeakPolarHBondContact O-CG 3.26Å; D466-L470 PolarHBondContact O-N 3.33Å; M468-L470 VanDerWaalsContact C-N 3.32Å; M468-L470 PolarHBondContact O-N 3.23Å; L470-A472 PolarHBondContact O-N 3.23Å; L470-I473 PolarHBondContact O-N 2.95Å; L470-Q474 WeakPolarHBondContact O-CB 3.21Å; L470-Q474 PolarHBondContact O-N 3.21Å
471N74.6Confident79.5Confident122 Ų12269.1 Ų69.165%0.65237%0.367SS*.Hα-helixtrans-64.4-41-179.9-71.3-28.2000112.2G467 M468 A469 K475G467-N471 PolarHBondContact O-N 3.48Å; G467-N471 PolarHBondContact O-ND2 3.37Å; G467-N471 VanDerWaalsContact O-ND2 3.14Å; M468-N471 PolarHBondContact O-N 2.66Å; A469-N471 PolarHBondContact O-N 3.43Å; N471-K475 PolarHBondContact O-N 3.42Å; N471-K475 VanDerWaalsContact O-N 3.1Å
472A76Confident80.1Confident64 Ų6474.8 Ų74.853%0.52939%0.394SS..Hα-helixtrans-67-44.1179.300000112M468 A469 L470 K475 A476M468-A472 PolarHBondContact O-N 2.86Å; M468-A472 VanDerWaalsContact O-N 3.1Å; A469-A472 PolarHBondContact O-N 3.43Å; L470-A472 PolarHBondContact O-N 3.23Å; A472-K475 PolarHBondContact O-N 3.35Å; A472-A476 PolarHBondContact O-N 2.88Å; A472-A476 VanDerWaalsContact O-N 3.12Å
473I81.3Confident80.5Confident8 Ų873 Ų734%0.04139%0.386CS..Hα-helixtrans-68.1-41.4178.6-65.8163.3000110.4L431 V435 F454 A457 L458 A461 A469 L470 K475 A476 L477L431-I473 HydrophobicContact CD1-CD1 3.68Å; V435-I473 HydrophobicContact CG2-CD1 3.86Å; V435-I473 HydrophobicContact CG2-CG1 3.84Å; F454-I473 HydrophobicContact CD1-CG2 4.46Å; F454-I473 WeakPolarHBondContact O-CG2 3.33Å; A457-I473 HydrophobicContact CB-CD1 4.13Å; A457-I473 HydrophobicContact CB-CG2 4.12Å; L458-I473 HydrophobicContact CB-CG2 4.06Å; L458-I473 HydrophobicContact CD1-CB 4.36Å; L458-I473 HydrophobicContact CD1-CG2 4.11Å; A461-I473 HydrophobicContact CB-CD1 3.92Å; A469-I473 HydrophobicContact CB-CD1 4.28Å; A469-I473 WeakPolarHBondContact O-CB 3.18Å; A469-I473 WeakPolarHBondContact O-CD1 3.29Å; A469-I473 WeakPolarHBondContact O-CG1 3.49Å; A469-I473 PolarHBondContact O-N 3.26Å; L470-I473 PolarHBondContact O-N 2.95Å; I473-K475 VanDerWaalsContact C-N 3.31Å; I473-K475 PolarHBondContact O-N 3.29Å; I473-A476 PolarHBondContact O-N 3.4Å; I473-L477 VanDerWaalsContact O-CB 3.31Å; I473-L477 WeakPolarHBondContact O-CB 3.32Å; I473-L477 PolarHBondContact O-N 3.24Å
474Q81.8Confident81Confident69 Ų6968.7 Ų68.732%0.32236%0.363SS..Hα-helixtrans-60.2-43.4176.9-173.86153.500111.3L458 L470 A476 L477 D478L458-Q474 HydrophobicContact CD1-CB 4.45Å; L470-Q474 WeakPolarHBondContact O-CB 3.21Å; L470-Q474 PolarHBondContact O-N 3.21Å; Q474-A476 PolarHBondContact O-N 2.99Å; Q474-L477 WeakPolarHBondContact O-CB 3.32Å; Q474-L477 PolarHBondContact O-N 3.16Å; Q474-D478 PolarHBondContact NE2-OD1 3.32Å; Q474-D478 PolarHBondContact O-N 3.32Å
475K83.2Confident82Confident154 Ų15470.1 Ų70.167%0.6737%0.37SS*.Hα-helixtrans-61.2-44.6175.8-174.2-176.3175.7-171.20112.1N471 A472 I473 L477 D478 E479N471-K475 PolarHBondContact O-N 3.42Å; N471-K475 VanDerWaalsContact O-N 3.1Å; A472-K475 PolarHBondContact O-N 3.35Å; I473-K475 VanDerWaalsContact C-N 3.31Å; I473-K475 PolarHBondContact O-N 3.29Å; K475-L477 VanDerWaalsContact C-N 3.31Å; K475-L477 PolarHBondContact O-N 2.95Å; K475-D478 PolarHBondContact O-N 2.94Å; K475-E479 PolarHBondContact O-N 2.99Å; K475-E479 VanDerWaalsContact O-N 3.08Å
476A81.4Confident82.5Confident19 Ų1966.6 Ų66.616%0.15735%0.35CS..Hα-helixtrans-66.1-34.7177.800000112.2F454 A472 I473 Q474 A480F454-A476 HydrophobicContact CD1-CB 4.28Å; F454-A476 HydrophobicContact CE1-CB 3.86Å; F454-A476 HydrophobicContact CE2-CB 4.12Å; F454-A476 HydrophobicContact CZ-CB 3.77Å; A472-A476 PolarHBondContact O-N 2.88Å; A472-A476 VanDerWaalsContact O-N 3.12Å; I473-A476 PolarHBondContact O-N 3.4Å; Q474-A476 PolarHBondContact O-N 2.99Å; A476-A480 WeakPolarHBondContact O-CB 3.35Å; A476-A480 PolarHBondContact O-N 3.4Å
477L86.4Confident83.3Confident3 Ų368.7 Ų68.72%0.01636%0.359CS..Hα-helixtrans-65.8-43.8174.7178.762000111.7V451 F454 E455 L458 I473 Q474 K475 A480 K481V451-L477 HydrophobicContact CB-CD1 4.39Å; V451-L477 HydrophobicContact CG1-CD1 3.95Å; V451-L477 HydrophobicContact CG2-CD1 4.49Å; F454-L477 HydrophobicContact CB-CB 4.04Å; F454-L477 HydrophobicContact CB-CD1 3.76Å; F454-L477 HydrophobicContact CB-CG 4.45Å; E455-L477 HydrophobicContact CG-CD1 3.83Å; E455-L477 HydrophobicContact CG-CD2 4.03Å; L458-L477 HydrophobicContact CD2-CD2 4.33Å; I473-L477 VanDerWaalsContact O-CB 3.31Å; I473-L477 WeakPolarHBondContact O-CB 3.32Å; I473-L477 PolarHBondContact O-N 3.24Å; Q474-L477 WeakPolarHBondContact O-CB 3.32Å; Q474-L477 PolarHBondContact O-N 3.16Å; K475-L477 VanDerWaalsContact C-N 3.31Å; K475-L477 PolarHBondContact O-N 2.95Å; L477-A480 PolarHBondContact O-N 3.18Å; L477-K481 HydrophobicContact CD1-CD 4.36Å; L477-K481 HydrophobicContact CG-CD 4.27Å; L477-K481 WeakPolarHBondContact O-CG 3.43Å; L477-K481 PolarHBondContact O-N 3.04Å
478D87.6Confident83.9Confident83 Ų8371 Ų7144%0.44436%0.358SS..Hα-helixtrans-64.1-42.5178.1-65.1-20.7000110.8Q474 K475 K481 E482Q474-D478 PolarHBondContact NE2-OD1 3.32Å; Q474-D478 PolarHBondContact O-N 3.32Å; K475-D478 PolarHBondContact O-N 2.94Å; D478-K481 PolarHBondContact O-N 3.41Å; D478-E482 PolarHBondContact O-N 3.35Å
479E89.3Confident84.5Confident95 Ų9568.4 Ų68.444%0.44434%0.344SS..Hα-helixtrans-60-45.8173.6-178177.417600111.8K475 K481 E482 Q483K475-E479 PolarHBondContact O-N 2.99Å; K475-E479 VanDerWaalsContact O-N 3.08Å; E479-K481 VanDerWaalsContact C-N 3.31Å; E479-K481 PolarHBondContact O-N 3.28Å; E479-E482 PolarHBondContact O-N 3.07Å; E479-Q483 WeakPolarHBondContact O-CG 3.35Å; E479-Q483 PolarHBondContact O-N 3.49Å
480A89.4Confident85Confident0 Ų070.1 Ų70.10%036%0.355CS..Hα-helixtrans-62.9-36.817700000112.5L442 V451 F454 A476 L477 L484L442-A480 HydrophobicContact CD1-CB 3.91Å; V451-A480 HydrophobicContact CG2-CB 3.8Å; F454-A480 HydrophobicContact CD2-CB 4.05Å; F454-A480 HydrophobicContact CE2-CB 4.19Å; A476-A480 WeakPolarHBondContact O-CB 3.35Å; A476-A480 PolarHBondContact O-N 3.4Å; L477-A480 PolarHBondContact O-N 3.18Å; A480-L484 WeakPolarHBondContact O-CB 2.99Å; A480-L484 PolarHBondContact O-N 3.13Å
481K91.3Very high85.1Confident82 Ų8270.7 Ų70.736%0.35736%0.362SS..Hα-helixtrans-69-40.3176.5-76.5176.2176.3173.90112.3V451 E455 L477 D478 E479 L484 Q485V451-K481 HydrophobicContact CG1-CG 4.36Å; V451-K481 HydrophobicContact CG2-CG 3.88Å; E455-K481 IonicContact OE1-NZ 3.53Å; E455-K481 PolarHBondContact OE1-NZ 3.36Å; L477-K481 HydrophobicContact CD1-CD 4.36Å; L477-K481 HydrophobicContact CG-CD 4.27Å; L477-K481 WeakPolarHBondContact O-CG 3.43Å; L477-K481 PolarHBondContact O-N 3.04Å; D478-K481 PolarHBondContact O-N 3.41Å; E479-K481 VanDerWaalsContact C-N 3.31Å; E479-K481 PolarHBondContact O-N 3.28Å; K481-L484 PolarHBondContact O-N 3.15Å; K481-Q485 WeakPolarHBondContact O-CB 3.4Å; K481-Q485 PolarHBondContact O-N 3.25Å
482E92.3Very high85.1Confident119 Ų11970.3 Ų70.356%0.55636%0.357SS*.Hα-helixtrans-62.4-45.5175.2-173.9178.9-179.700111.1D478 E479 L484 Q485 N486D478-E482 PolarHBondContact O-N 3.35Å; E479-E482 PolarHBondContact O-N 3.07Å; E482-L484 PolarHBondContact O-N 2.97Å; E482-Q485 PolarHBondContact O-N 3.5Å; E482-N486 VanDerWaalsContact O-CG 3.25Å; E482-N486 PolarHBondContact O-N 3.3Å; E482-N486 PolarHBondContact O-ND2 3.18Å
483Q89.8Confident85.1Confident79 Ų7972.1 Ų72.137%0.36936%0.357SS..Hα-helixtrans-62.4-40.9176.4-67.4-68.9-15.200112.3F447 E479 N486 Q487F447-Q483 HydrophobicContact CD1-CB 3.69Å; F447-Q483 HydrophobicContact CD2-CB 4.26Å; F447-Q483 HydrophobicContact CE1-CB 3.58Å; F447-Q483 HydrophobicContact CE1-CG 4.15Å; F447-Q483 HydrophobicContact CE2-CB 4.17Å; F447-Q483 HydrophobicContact CG-CB 4.05Å; F447-Q483 HydrophobicContact CZ-CB 3.84Å; F447-Q483 HydrophobicContact CZ-CG 4.5Å; E479-Q483 WeakPolarHBondContact O-CG 3.35Å; E479-Q483 PolarHBondContact O-N 3.49Å; Q483-N486 PolarHBondContact O-N 2.69Å; Q483-Q487 PolarHBondContact O-N 2.9Å
484L91.2Very high84.7Confident29 Ų2977.7 Ų77.715%0.15238%0.383CS..Hα-helixtrans-61.8-43.6174.9-17862.2000111.8F447 E448 A480 K481 E482 Q487 Q488F447-L484 HydrophobicContact CB-CB 3.82Å; F447-L484 HydrophobicContact CB-CD1 3.95Å; F447-L484 HydrophobicContact CB-CG 4.44Å; E448-L484 HydrophobicContact CG-CD1 3.67Å; E448-L484 HydrophobicContact CG-CD2 4.28Å; A480-L484 WeakPolarHBondContact O-CB 2.99Å; A480-L484 PolarHBondContact O-N 3.13Å; K481-L484 PolarHBondContact O-N 3.15Å; E482-L484 PolarHBondContact O-N 2.97Å; L484-Q487 PolarHBondContact O-N 3.17Å; L484-Q488 WeakPolarHBondContact O-CG 3.22Å; L484-Q488 PolarHBondContact O-N 3.07Å; L484-Q488 VanDerWaalsContact O-N 3.09Å
485Q90.6Very high84.1Confident108 Ų10880.4 Ų80.451%0.50540%0.396SS..Hα-helixtrans-65.2-41.9178.7-175176.3-0.900111.6K481 E482 Q487 Q488 Q489K481-Q485 WeakPolarHBondContact O-CB 3.4Å; K481-Q485 PolarHBondContact O-N 3.25Å; E482-Q485 PolarHBondContact O-N 3.5Å; Q485-Q487 VanDerWaalsContact C-N 3.32Å; Q485-Q487 PolarHBondContact O-N 2.7Å; Q485-Q488 PolarHBondContact O-N 3.1Å; Q485-Q489 WeakPolarHBondContact O-CG 3.14Å; Q485-Q489 PolarHBondContact O-N 3.36Å
486N88.6Confident83.5Confident71 Ų7179 Ų7938%0.3839%0.392SS..Hα-helixtrans-62.8-40.2176.5-69.2-21.1000111.5E482 Q483 Q489 S490E482-N486 VanDerWaalsContact O-CG 3.25Å; E482-N486 PolarHBondContact O-N 3.3Å; E482-N486 PolarHBondContact O-ND2 3.18Å; Q483-N486 PolarHBondContact O-N 2.69Å; N486-Q489 PolarHBondContact O-N 3.29Å; N486-S490 PolarHBondContact O-N 3.21Å; N486-S490 PolarHBondContact O-OG 3.02Å
487Q87.9Confident82.9Confident95 Ų9584.2 Ų84.244%0.44441%0.413SS..Hα-helixtrans-63-41176.5-172.5179.33600112.2F447 Q483 L484 Q485 S490 S491F447-Q487 HydrophobicContact CD2-CB 4.26Å; F447-Q487 VanDerWaalsContact CD2-OE1 3.27Å; F447-Q487 HydrophobicContact CE2-CB 4.31Å; Q483-Q487 PolarHBondContact O-N 2.9Å; L484-Q487 PolarHBondContact O-N 3.17Å; Q485-Q487 VanDerWaalsContact C-N 3.32Å; Q485-Q487 PolarHBondContact O-N 2.7Å; Q487-S490 WeakPolarHBondContact CA-OG 3.41Å; Q487-S490 PolarHBondContact O-N 2.81Å; Q487-S490 PolarHBondContact O-OG 3.23Å; Q487-S491 PolarHBondContact O-N 3.32Å; Q487-S491 VanDerWaalsContact O-N 3.1Å; Q487-S491 PolarHBondContact O-OG 3.28Å
488Q85.2Confident82Confident90 Ų9090.4 Ų90.442%0.42144%0.442SS..Hα-helixtrans-66.7-41.3177.6-71.9173.2-11.600111.9L484 Q485 S491 E492L484-Q488 WeakPolarHBondContact O-CG 3.22Å; L484-Q488 PolarHBondContact O-N 3.07Å; L484-Q488 VanDerWaalsContact O-N 3.09Å; Q485-Q488 PolarHBondContact O-N 3.1Å; Q488-S491 WeakPolarHBondContact CA-OG 3.36Å; Q488-S491 PolarHBondContact O-N 3.13Å; Q488-S491 PolarHBondContact O-OG 3.25Å; Q488-E492 WeakPolarHBondContact O-CG 3.3Å; Q488-E492 PolarHBondContact O-N 2.83Å
489Q82.8Confident81.2Confident90 Ų9090.9 Ų90.942%0.42144%0.444SS..Hα-helixtrans-66.6-37.1176.4-72.9179.6-9.500112.6Q485 N486 N493Q485-Q489 WeakPolarHBondContact O-CG 3.14Å; Q485-Q489 PolarHBondContact O-N 3.36Å; N486-Q489 PolarHBondContact O-N 3.29Å; Q489-N493 WeakPolarHBondContact O-CB 3.48Å; Q489-N493 PolarHBondContact O-N 3.01Å; Q489-N493 VanDerWaalsContact O-N 3.09Å; Q489-N493 PolarHBondContact O-ND2 3.32Å
490S79.3Confident80.3Confident54 Ų5492.4 Ų92.438%0.37845%0.451SS..Hα-helixtrans-65.5-4217449.90000112.2N486 Q487 N493 E494N486-S490 PolarHBondContact O-N 3.21Å; N486-S490 PolarHBondContact O-OG 3.02Å; Q487-S490 WeakPolarHBondContact CA-OG 3.41Å; Q487-S490 PolarHBondContact O-N 2.81Å; Q487-S490 PolarHBondContact O-OG 3.23Å; S490-N493 PolarHBondContact O-N 3.16Å; S490-E494 WeakPolarHBondContact O-CG 3.49Å; S490-E494 PolarHBondContact O-N 3.13Å
491S77.8Confident79.3Confident51 Ų5198.8 Ų98.836%0.35748%0.481SS..Hα-helixtrans-67.4-37.6178.151.50000112.7Q487 Q488 N493 E494 E495Q487-S491 PolarHBondContact O-N 3.32Å; Q487-S491 VanDerWaalsContact O-N 3.1Å; Q487-S491 PolarHBondContact O-OG 3.28Å; Q488-S491 WeakPolarHBondContact CA-OG 3.36Å; Q488-S491 PolarHBondContact O-N 3.13Å; Q488-S491 PolarHBondContact O-OG 3.25Å; S491-N493 VanDerWaalsContact C-N 3.33Å; S491-E494 PolarHBondContact O-N 3.07Å; S491-E495 WeakPolarHBondContact O-CB 3.21Å; S491-E495 WeakPolarHBondContact O-CG 3.36Å; S491-E495 PolarHBondContact O-N 3.44Å
492E74.9Confident78.1Confident114 Ų11499.7 Ų99.753%0.53349%0.486SS..Hα-helixtrans-65.9-36.6175.9-74.8176179.500111.9Q488 H496Q488-E492 WeakPolarHBondContact O-CG 3.3Å; Q488-E492 PolarHBondContact O-N 2.83Å; E492-H496 WeakPolarHBondContact O-CB 3.45Å; E492-H496 PolarHBondContact O-CD2 3.33Å; E492-H496 VanDerWaalsContact O-CD2 3.26Å; E492-H496 PolarHBondContact O-N 3.04Å
493N76Confident76.9Confident101 Ų101100.6 Ų100.654%0.5449%0.491SS..Hα-helixtrans-70.9-41175.7-70.1-20.5000112Q489 S490 S491 H496 E497Q489-N493 WeakPolarHBondContact O-CB 3.48Å; Q489-N493 PolarHBondContact O-N 3.01Å; Q489-N493 VanDerWaalsContact O-N 3.09Å; Q489-N493 PolarHBondContact O-ND2 3.32Å; S490-N493 PolarHBondContact O-N 3.16Å; S491-N493 VanDerWaalsContact C-N 3.33Å; N493-H496 PolarHBondContact O-N 2.86Å; N493-E497 PolarHBondContact O-N 2.87Å
494E72.3Confident75.8Confident126 Ų126103.3 Ų103.359%0.58950%0.503SS*.Hα-helixtrans-63.5-43.3175.3-74.5175-176.700111.4S490 S491 H496 E497 E498S490-E494 WeakPolarHBondContact O-CG 3.49Å; S490-E494 PolarHBondContact O-N 3.13Å; S491-E494 PolarHBondContact O-N 3.07Å; E494-H496 VanDerWaalsContact C-N 3.3Å; E494-H496 PolarHBondContact O-N 3.21Å; E494-E497 PolarHBondContact O-N 2.91Å; E494-E498 PolarHBondContact O-N 3Å
495E70.1Confident74.6Confident126 Ų126108.6 Ų108.659%0.58953%0.527SS*.Hα-helixtrans-64.1-34.3174-76.5-175.6-179.200112.1S491 N499S491-E495 WeakPolarHBondContact O-CB 3.21Å; S491-E495 WeakPolarHBondContact O-CG 3.36Å; S491-E495 PolarHBondContact O-N 3.44Å; E495-N499 WeakPolarHBondContact O-CB 3.46Å; E495-N499 VanDerWaalsContact O-CG 3.26Å; E495-N499 PolarHBondContact O-N 3.28Å; E495-N499 VanDerWaalsContact O-N 3.11Å; E495-N499 PolarHBondContact O-ND2 3.33Å
496H69.7Low73.5Confident124 Ų124109.4 Ų109.457%0.57453%0.529SS*.Hα-helixtrans-69.6-42.7175.2-91.8-56.3000112.6E492 N493 E494 N499 E500E492-H496 WeakPolarHBondContact O-CB 3.45Å; E492-H496 PolarHBondContact O-CD2 3.33Å; E492-H496 VanDerWaalsContact O-CD2 3.26Å; E492-H496 PolarHBondContact O-N 3.04Å; N493-H496 PolarHBondContact O-N 2.86Å; E494-H496 VanDerWaalsContact C-N 3.3Å; E494-H496 PolarHBondContact O-N 3.21Å; H496-N499 PolarHBondContact O-N 3.31Å; H496-E500 WeakPolarHBondContact O-CG 3.19Å; H496-E500 PolarHBondContact O-N 3.28Å
497E68.7Low72.1Confident129 Ų129113 Ų11360%0.60354%0.544SS*.Hα-helixtrans-64.5-43.7175.7-74.3-179177.500111.6N493 E494 N499 E500 E501N493-E497 PolarHBondContact O-N 2.87Å; E494-E497 PolarHBondContact O-N 2.91Å; E497-N499 VanDerWaalsContact C-N 3.32Å; E497-N499 PolarHBondContact O-N 2.96Å; E497-E500 PolarHBondContact O-N 3.35Å; E497-E501 WeakPolarHBondContact O-CG 3.46Å; E497-E501 PolarHBondContact O-N 3.47Å
498E68.3Low70.8Confident133 Ų133115.5 Ų115.562%0.62156%0.555SS**Hα-helixtrans-62.8-37.2175.8-76.3-173.8171.100112.4E494 E502E494-E498 PolarHBondContact O-N 3Å; E498-E502 WeakPolarHBondContact O-CB 3.46Å; E498-E502 PolarHBondContact O-N 3.08Å
499N70.7Confident69.5Low92 Ų92117.1 Ų117.149%0.49257%0.567SS.*Hα-helixtrans-70.2-35.9176-78-51.7000112.6E495 H496 E497 E503E495-N499 WeakPolarHBondContact O-CB 3.46Å; E495-N499 VanDerWaalsContact O-CG 3.26Å; E495-N499 PolarHBondContact O-N 3.28Å; E495-N499 VanDerWaalsContact O-N 3.11Å; E495-N499 PolarHBondContact O-ND2 3.33Å; H496-N499 PolarHBondContact O-N 3.31Å; E497-N499 VanDerWaalsContact C-N 3.32Å; E497-N499 PolarHBondContact O-N 2.96Å; N499-E503 WeakPolarHBondContact O-CG 3.42Å; N499-E503 PolarHBondContact O-N 2.9Å
500E69.8Low68.4Low128 Ų128116 Ų11660%0.59857%0.573SS**Hα-helixtrans-67.5-43.6174.5-76-175.517800111.2H496 E497 E502 E503 E504H496-E500 WeakPolarHBondContact O-CG 3.19Å; H496-E500 PolarHBondContact O-N 3.28Å; E497-E500 PolarHBondContact O-N 3.35Å; E500-E502 PolarHBondContact O-N 3.44Å; E500-E503 PolarHBondContact O-N 3.33Å; E500-E504 PolarHBondContact O-N 2.85Å
501E67.9Low67.3Low133 Ų133120.5 Ų120.562%0.62159%0.593SS**Hα-helixtrans-62.7-40.8174.9-71.7-173.8172.100112E497 E503 E504 E505E497-E501 WeakPolarHBondContact O-CG 3.46Å; E497-E501 PolarHBondContact O-N 3.47Å; E501-E503 VanDerWaalsContact C-N 3.34Å; E501-E503 PolarHBondContact O-N 3.48Å; E501-E504 PolarHBondContact O-N 2.9Å; E501-E505 PolarHBondContact O-N 2.94Å
502E65.9Low66.3Low101 Ų101125.6 Ų125.647%0.47261%0.611SS.*Hα-helixtrans-66.8-31174.6-90-157.5-16700113.6E498 E500 K506E498-E502 WeakPolarHBondContact O-CB 3.46Å; E498-E502 PolarHBondContact O-N 3.08Å; E500-E502 PolarHBondContact O-N 3.44Å; E502-K506 WeakPolarHBondContact O-CB 3.4Å; E502-K506 VanDerWaalsContact O-CD 3.3Å; E502-K506 WeakPolarHBondContact O-CD 3.19Å; E502-K506 WeakPolarHBondContact O-CG 3.29Å; E502-K506 PolarHBondContact O-N 3.17Å; E502-K506 IonicContact OE2-NZ 3.86Å; E502-K506 PolarHBondContact OE2-NZ 3.46Å
503E67.1Low65.3Low138 Ų138128.6 Ų128.665%0.64562%0.622SS**Hα-helixtrans-72.5-41.2173.8-80.4-168.3170.400111N499 E500 E501 K506 E507N499-E503 WeakPolarHBondContact O-CG 3.42Å; N499-E503 PolarHBondContact O-N 2.9Å; E500-E503 PolarHBondContact O-N 3.33Å; E501-E503 VanDerWaalsContact C-N 3.34Å; E501-E503 PolarHBondContact O-N 3.48Å; E503-K506 PolarHBondContact O-N 3.35Å; E503-E507 PolarHBondContact O-N 2.92Å
504E66.8Low64.2Low137 Ų137128.7 Ų128.764%0.6463%0.628SS**Hα-helixtrans-63.3-44.5175.3-72.9-169.3167.600112.1E500 E501 K506 E507 E508E500-E504 PolarHBondContact O-N 2.85Å; E501-E504 PolarHBondContact O-N 2.9Å; E504-K506 VanDerWaalsContact C-N 3.33Å; E504-K506 PolarHBondContact O-N 2.9Å; E504-E507 PolarHBondContact O-N 3.31Å; E504-E508 PolarHBondContact O-N 3.3Å
505E65.2Low63.3Low140 Ų140132.4 Ų132.465%0.65465%0.646SS**Hα-helixtrans-62.6-37.8175.8-78.4-167.7162.500112.4E501 E508 D509E501-E505 PolarHBondContact O-N 2.94Å; E505-E508 PolarHBondContact O-N 3.5Å; E505-D509 PolarHBondContact O-N 3.38Å
506K67.8Low62.5Low124 Ų124131.9 Ų131.954%0.53965%0.651SS.*Hα-helixtrans-69.7-32.2176.8-74.8168.3-166.1137.80112.4E502 E503 E504 A510E502-K506 WeakPolarHBondContact O-CB 3.4Å; E502-K506 VanDerWaalsContact O-CD 3.3Å; E502-K506 WeakPolarHBondContact O-CD 3.19Å; E502-K506 WeakPolarHBondContact O-CG 3.29Å; E502-K506 PolarHBondContact O-N 3.17Å; E502-K506 IonicContact OE2-NZ 3.86Å; E502-K506 PolarHBondContact OE2-NZ 3.46Å; E503-K506 PolarHBondContact O-N 3.35Å; E504-K506 VanDerWaalsContact C-N 3.33Å; E504-K506 PolarHBondContact O-N 2.9Å; K506-A510 VanDerWaalsContact O-CB 3.26Å; K506-A510 WeakPolarHBondContact O-CB 3.43Å; K506-A510 PolarHBondContact O-N 3.37Å; K506-A510 VanDerWaalsContact O-N 3.12Å
507E60.8Low61.6Low147 Ų147133.9 Ų133.969%0.68767%0.665SS**Hα-helixtrans-71.3-37173.4-76.6-160.6161.800112.2E503 E504 N511E503-E507 PolarHBondContact O-N 2.92Å; E504-E507 PolarHBondContact O-N 3.31Å; E507-N511 PolarHBondContact O-N 3.37Å
508E58.7Low60.3Low147 Ų147140.8 Ų140.869%0.68770%0.697SS**Hα-helixtrans-66.5-46.9174.1-72.3-164.8157.100112E504 E505 A510 N511 E512E504-E508 PolarHBondContact O-N 3.3Å; E505-E508 PolarHBondContact O-N 3.5Å; E508-A510 VanDerWaalsContact C-N 3.29Å; E508-A510 PolarHBondContact O-N 3.05Å; E508-N511 PolarHBondContact O-N 3.34Å; E508-N511 VanDerWaalsContact O-N 3.12Å; E508-E512 PolarHBondContact O-N 3.12Å
509D58.8Low59.9Low124 Ų124141.2 Ų141.266%0.66370%0.701SS**Hα-helixtrans-65.1-29.6177-106.4-7.4000112.9E505 N511 E512E505-D509 PolarHBondContact O-N 3.38Å; D509-N511 VanDerWaalsContact C-N 3.32Å; D509-E512 PolarHBondContact O-N 2.88Å
510A59.3Low59.3Low66 Ų66143.7 Ų143.755%0.54571%0.712SS.*Hα-helixtrans-71.2-27.8175.500000112.8K506 E508K506-A510 VanDerWaalsContact O-CB 3.26Å; K506-A510 WeakPolarHBondContact O-CB 3.43Å; K506-A510 PolarHBondContact O-N 3.37Å; K506-A510 VanDerWaalsContact O-N 3.12Å; E508-A510 VanDerWaalsContact C-N 3.29Å; E508-A510 PolarHBondContact O-N 3.05Å
511N57.7Low58.8Low149 Ų149144.6 Ų144.680%0.79772%0.719SS**Hα-helixtrans-82.3-16.8174.2-90.2-27.2000113.1E507 E508 D509 K513E507-N511 PolarHBondContact O-N 3.37Å; E508-N511 PolarHBondContact O-N 3.34Å; E508-N511 VanDerWaalsContact O-N 3.12Å; D509-N511 VanDerWaalsContact C-N 3.32Å; N511-K513 PolarHBondContact O-N 3.45Å
512E56.6Low58.2Low159 Ų159145.3 Ų145.374%0.74372%0.724SS**  trans-94.641.5174.5-70.1-158.1157.800114E508 D509E508-E512 PolarHBondContact O-N 3.12Å; D509-E512 PolarHBondContact O-N 2.88Å
513K52.5Low57.7Low177 Ų177148.1 Ų148.177%0.7774%0.74SS**  trans-79.9131.8165.6-90.8-179.5-178.8167.30111.5N511 E515N511-K513 PolarHBondContact O-N 3.45Å; K513-E515 PolarHBondContact O-N 3.26Å
514P54.3Low57.1Low103 Ų103148.7 Ų148.767%0.66975%0.746SS**  trans-72.9121.8-170.927.9-32.9000111.4T516P514-T516 VanDerWaalsContact C-N 3.32Å; P514-T516 PolarHBondContact O-N 3.26Å; P514-T516 PolarHBondContact O-OG1 3.27Å
515E52.5Low56.4Low204 Ų204149.6 Ų149.695%0.95375%0.754SS**  trans-55.598.6157.4-80-174.8155.400108.2K513K513-E515 PolarHBondContact O-N 3.26Å
516T54.4Low55.8Low114 Ų114150.3 Ų150.370%0.69976%0.762SS**  trans-123.9131.6164.731.60000109.9P514P514-T516 VanDerWaalsContact C-N 3.32Å; P514-T516 PolarHBondContact O-N 3.26Å; P514-T516 PolarHBondContact O-OG1 3.27Å
517L49.8Very low54.7Low167 Ų167152.5 Ų152.587%0.87478%0.78SS**  trans91.695.9165.7-59.7156.8000116.3
518E41.7Very low54.2Low273 Ų273153 Ų153100%1.27679%0.789SS**  -150.50104.7-104.6-178.9178.300112.3

Retrieved 518 of 518 residues in 741.4 ms (Link to these results)

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