G4VJB3_SCHMA Loading...

histone acetyltransferase

AlphaFold DB , UniProt , Accession G4VJB3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 899 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
1M35.9Very low67.5Low246 Ų24674.3 Ų74.3100%1.21240%0.399SS*.  0125.10-73.2-171.2-169.200106.8S3M1-S3 PolarHBondContact O-N 3.34Å
2D48.6Very low69.1Low91 Ų9173.7 Ų73.749%0.48739%0.387SS..  trans-74.5119.6-170-156.29.5000110S4D2-S4 PolarHBondContact O-N 3.06Å; D2-S4 VanDerWaalsContact O-N 3.16Å; D2-S4 PolarHBondContact OD2-OG 3.25Å; D2-S4 VanDerWaalsContact OD2-OG 3.1Å
3S55.7Low70.4Confident90 Ų9068.2 Ų68.263%0.62936%0.358SS*.  trans-77.411.8-176.755.70000113.3M1M1-S3 PolarHBondContact O-N 3.34Å
4S64.1Low71.5Confident19 Ų1963.5 Ų63.513%0.13333%0.333CS..  trans-67.9132.8-176.8460000112.2D2 K9D2-S4 PolarHBondContact O-N 3.06Å; D2-S4 VanDerWaalsContact O-N 3.16Å; D2-S4 PolarHBondContact OD2-OG 3.25Å; D2-S4 VanDerWaalsContact OD2-OG 3.1Å; S4-K9 WeakPolarHBondContact O-CE 3.38Å; S4-K9 WeakPolarHBondContact OG-CE 3.32Å
5T74.3Confident72.3Confident77 Ų7762 Ų6247%0.47233%0.329SS..  trans-64.4156.1174.863.80000110Y7 Q8 K9T5-Y7 PolarHBondContact O-N 3.26Å; T5-Y7 VanDerWaalsContact O-N 3.14Å; T5-Q8 WeakPolarHBondContact O-CB 3.36Å; T5-Q8 PolarHBondContact O-N 2.96Å; T5-Q8 WeakPolarHBondContact OG1-CG 3.45Å; T5-Q8 PolarHBondContact OG1-N 3.21Å; T5-K9 PolarHBondContact O-N 3.27Å; T5-K9 VanDerWaalsContact O-N 3.08Å
6L75.4Confident73.3Confident76 Ų7659.7 Ų59.740%0.39831%0.314SS..Hα-helixtrans-51.1-40.2176.3179.763.5000111.8K9 L10 L55 L64L6-K9 PolarHBondContact O-N 2.98Å; L6-L10 HydrophobicContact CD1-CD1 4.4Å; L6-L10 HydrophobicContact CD1-CG 4.43Å; L6-L10 HydrophobicContact CG-CD1 4.11Å; L6-L10 WeakPolarHBondContact O-CG 3.33Å; L6-L10 PolarHBondContact O-N 2.99Å; L6-L55 HydrophobicContact CD1-CD1 4.2Å; L6-L55 HydrophobicContact CD1-CD2 4.47Å; L6-L55 HydrophobicContact CD2-CD1 3.83Å; L6-L55 HydrophobicContact CD2-CD2 3.95Å; L6-L55 HydrophobicContact CG-CD1 4.33Å; L6-L64 HydrophobicContact CD1-CD2 3.66Å
7Y70.9Confident74Confident80 Ų8056.4 Ų56.431%0.31430%0.297SS..Hα-helixtrans-56.3-50.3174.1173.6-89.9000112.8T5 K9 L10 S11 D37 L40T5-Y7 PolarHBondContact O-N 3.26Å; T5-Y7 VanDerWaalsContact O-N 3.14Å; Y7-K9 VanDerWaalsContact C-N 3.28Å; Y7-K9 PolarHBondContact O-N 3.1Å; Y7-L10 PolarHBondContact O-N 2.83Å; Y7-S11 PolarHBondContact O-N 2.88Å; Y7-S11 PolarHBondContact O-OG 3.22Å; Y7-D37 WeakPolarHBondContact CD2-O 3.37Å; Y7-D37 VanDerWaalsContact CE2-O 3.28Å; Y7-D37 WeakPolarHBondContact CE2-O 3.45Å; Y7-D37 PolarHBondContact OH-OD1 3.17Å; Y7-L40 HydrophobicContact CD2-CB 4.23Å; Y7-L40 HydrophobicContact CD2-CD1 3.99Å; Y7-L40 HydrophobicContact CE2-CD1 3.5Å; Y7-L40 VanDerWaalsContact CE2-CD1 3.5Å
8Q76.2Confident74.7Confident57 Ų5757.6 Ų57.627%0.26630%0.3SS..Hα-helixtrans-63.5-34.9-180-72.8170.2-17.400111.9T5 S11 R12T5-Q8 WeakPolarHBondContact O-CB 3.36Å; T5-Q8 PolarHBondContact O-N 2.96Å; T5-Q8 WeakPolarHBondContact OG1-CG 3.45Å; T5-Q8 PolarHBondContact OG1-N 3.21Å; Q8-S11 PolarHBondContact O-OG 3.34Å; Q8-S11 VanDerWaalsContact O-OG 3.09Å; Q8-R12 WeakPolarHBondContact O-CG 3.27Å; Q8-R12 PolarHBondContact O-N 3.09Å
9K83.7Confident75.2Confident32 Ų3255.1 Ų55.114%0.13929%0.287CS..Hα-helixtrans-67.9-45.7175.1-64.4-178-178.5176.90111.5S4 T5 L6 Y7 R12 Y13 L64 N65 M68S4-K9 WeakPolarHBondContact O-CE 3.38Å; S4-K9 WeakPolarHBondContact OG-CE 3.32Å; T5-K9 PolarHBondContact O-N 3.27Å; T5-K9 VanDerWaalsContact O-N 3.08Å; L6-K9 PolarHBondContact O-N 2.98Å; Y7-K9 VanDerWaalsContact C-N 3.28Å; Y7-K9 PolarHBondContact O-N 3.1Å; K9-R12 PolarHBondContact O-N 3.23Å; K9-Y13 WeakPolarHBondContact O-CB 3.45Å; K9-Y13 PolarHBondContact O-N 2.8Å; K9-L64 HydrophobicContact CB-CD1 4.31Å; K9-L64 HydrophobicContact CB-CD2 3.84Å; K9-L64 HydrophobicContact CB-CG 4.01Å; K9-L64 HydrophobicContact CD-CD2 4.42Å; K9-N65 PolarHBondContact NZ-OD1 2.95Å; K9-M68 HydrophobicContact CB-CE 4.35Å; K9-M68 HydrophobicContact CB-CG 4.18Å; K9-M68 HydrophobicContact CB-SD 3.87Å; K9-M68 HydrophobicContact CD-CG 4.28Å; K9-M68 HydrophobicContact CG-CG 3.97Å; K9-M68 HydrophobicContact CG-SD 4.04Å; K9-M68 WeakPolarHBondContact O-CE 3.4Å
10L80.5Confident75.5Confident3 Ų357.4 Ų57.42%0.01630%0.297CS..Hα-helixtrans-65.2-43-179.5-69.9173.8000112.2L6 Y7 R12 Y13 L14 L40 I41 Y53 L55 L64L6-L10 HydrophobicContact CD1-CD1 4.4Å; L6-L10 HydrophobicContact CD1-CG 4.43Å; L6-L10 HydrophobicContact CG-CD1 4.11Å; L6-L10 WeakPolarHBondContact O-CG 3.33Å; L6-L10 PolarHBondContact O-N 2.99Å; Y7-L10 PolarHBondContact O-N 2.83Å; L10-R12 PolarHBondContact O-N 3.19Å; L10-Y13 PolarHBondContact O-N 2.73Å; L10-L14 HydrophobicContact CB-CD1 4.36Å; L10-L14 WeakPolarHBondContact O-CB 3.33Å; L10-L14 WeakPolarHBondContact O-CG 3.47Å; L10-L14 PolarHBondContact O-N 3.11Å; L10-L40 HydrophobicContact CB-CD2 3.66Å; L10-I41 HydrophobicContact CD1-CG1 4.26Å; L10-Y53 HydrophobicContact CD2-CD1 3.46Å; L10-Y53 VanDerWaalsContact CD2-CD1 3.46Å; L10-Y53 HydrophobicContact CD2-CD2 4.46Å; L10-Y53 HydrophobicContact CD2-CE1 3.5Å; L10-Y53 VanDerWaalsContact CD2-CE1 3.5Å; L10-Y53 HydrophobicContact CD2-CE2 4.46Å; L10-Y53 HydrophobicContact CD2-CG 3.96Å; L10-L55 HydrophobicContact CD1-CD1 4.02Å; L10-L64 HydrophobicContact CD2-CD1 4.19Å; L10-L64 HydrophobicContact CD2-CD2 3.96Å; L10-L64 HydrophobicContact CG-CD2 4.28Å
11S77.8Confident75.9Confident46 Ų4658.1 Ų58.132%0.32230%0.301SS..Hα-helixtrans-62-32.1179.968.30000113Y7 Q8 P15Y7-S11 PolarHBondContact O-N 2.88Å; Y7-S11 PolarHBondContact O-OG 3.22Å; Q8-S11 PolarHBondContact O-OG 3.34Å; Q8-S11 VanDerWaalsContact O-OG 3.09Å; S11-P15 VanDerWaalsContact O-CD 3.28Å; S11-P15 WeakPolarHBondContact O-CD 3.45Å
12R85.8Confident78.1Confident67 Ų6755.9 Ų55.925%0.25329%0.288SS..Hα-helixtrans-79.4-35.4175.1-66-176.874.9-151.4-1.2113.1Q8 K9 L10 Y16 M68 V71 D72 E75Q8-R12 WeakPolarHBondContact O-CG 3.27Å; Q8-R12 PolarHBondContact O-N 3.09Å; K9-R12 PolarHBondContact O-N 3.23Å; L10-R12 PolarHBondContact O-N 3.19Å; R12-Y16 WeakPolarHBondContact O-CD2 3.38Å; R12-Y16 WeakPolarHBondContact O-CE2 3.46Å; R12-M68 HydrophobicContact CB-CE 4.32Å; R12-M68 HydrophobicContact CB-SD 4.24Å; R12-V71 HydrophobicContact CB-CG1 4.4Å; R12-D72 IonicContact CZ-OD1 2.65Å; R12-D72 VanDerWaalsContact CZ-OD1 3.24Å; R12-D72 IonicContact NH1-OD1 3.17Å; R12-D72 PolarHBondContact NH1-OD1 2.94Å; R12-D72 IonicContact NH2-OD1 3.99Å; R12-D72 PolarHBondContact NH2-OD1 3.46Å; R12-E75 IonicContact NH2-OE2 2.71Å; R12-E75 PolarHBondContact NH2-OE2 3.33Å
13Y86.9Confident79.6Confident2 Ų255.5 Ų55.51%0.00831%0.305CS..Hα-helixtrans-78.1-46.7-177.7172.8-116.4000113.8K9 L10 P15 Y16 Y53 W63 L64 A67 L104K9-Y13 WeakPolarHBondContact O-CB 3.45Å; K9-Y13 PolarHBondContact O-N 2.8Å; L10-Y13 PolarHBondContact O-N 2.73Å; Y13-P15 VanDerWaalsContact C-N 3.32Å; Y13-P15 VanDerWaalsContact O-N 3.16Å; Y13-Y16 PolarHBondContact O-N 3.01Å; Y13-Y53 HydrophobicContact CD1-CD2 4.19Å; Y13-Y53 HydrophobicContact CD1-CE2 4.16Å; Y13-Y53 AromaticContact CE1-CD2 3.72Å; Y13-Y53 HydrophobicContact CE1-CD2 3.72Å; Y13-Y53 AromaticContact CE1-CE2 3.69Å; Y13-Y53 HydrophobicContact CE1-CE2 3.69Å; Y13-W63 AromaticContact CZ-NE1 3.87Å; Y13-W63 PolarHBondContact OH-NE1 3.18Å; Y13-L64 HydrophobicContact CD1-CD1 4.03Å; Y13-L64 HydrophobicContact CG-CD1 4.01Å; Y13-A67 HydrophobicContact CD2-CB 3.74Å; Y13-A67 HydrophobicContact CE2-CB 3.83Å; Y13-L104 HydrophobicContact CD2-CD2 4.27Å; Y13-L104 HydrophobicContact CE2-CD2 4.13Å
14L84.8Confident81Confident3 Ų352.8 Ų52.82%0.01629%0.286CS..G310 helixtrans-53.1-37.6-170.7-74.2170.9000114.5L10 Y16 S17 W29 L40 H52L10-L14 HydrophobicContact CB-CD1 4.36Å; L10-L14 WeakPolarHBondContact O-CB 3.33Å; L10-L14 WeakPolarHBondContact O-CG 3.47Å; L10-L14 PolarHBondContact O-N 3.11Å; L14-Y16 PolarHBondContact O-N 3.38Å; L14-S17 PolarHBondContact O-N 3.44Å; L14-S17 PolarHBondContact O-OG 2.88Å; L14-W29 HydrophobicContact CB-CB 4.12Å; L14-W29 HydrophobicContact CB-CD2 3.73Å; L14-W29 HydrophobicContact CB-CE3 3.44Å; L14-W29 VanDerWaalsContact CB-CE3 3.44Å; L14-W29 HydrophobicContact CB-CG 4.07Å; L14-W29 HydrophobicContact CB-CH2 4.48Å; L14-W29 HydrophobicContact CB-CZ3 3.84Å; L14-W29 HydrophobicContact CD1-CD2 4.04Å; L14-W29 HydrophobicContact CD1-CE3 4.07Å; L14-W29 HydrophobicContact CD1-CH2 3.66Å; L14-W29 HydrophobicContact CD1-CZ2 3.75Å; L14-W29 HydrophobicContact CD1-CZ3 3.86Å; L14-W29 HydrophobicContact CG-CD2 4.37Å; L14-W29 HydrophobicContact CG-CE3 4.36Å; L14-W29 VanDerWaalsContact O-CB 3.22Å; L14-W29 WeakPolarHBondContact O-CB 3.34Å; L14-L40 HydrophobicContact CD1-CD2 3.57Å; L14-L40 HydrophobicContact CD1-CG 4.39Å; L14-H52 HydrophobicContact CD2-CB 4.07Å
15P84.7Confident81.8Confident41 Ų4161.6 Ų61.627%0.26632%0.322SS..G310 helixtrans-57.5-14.5174.1-27.136.4000115.2S11 Y13S11-P15 VanDerWaalsContact O-CD 3.28Å; S11-P15 WeakPolarHBondContact O-CD 3.45Å; Y13-P15 VanDerWaalsContact C-N 3.32Å; Y13-P15 VanDerWaalsContact O-N 3.16Å
16Y86.9Confident82.2Confident25 Ų2558.8 Ų58.810%0.09831%0.305CS..G310 helixtrans-109.41.7178.7-53.1-79.8000113.4R12 Y13 L14 V71 V74 L104 M105R12-Y16 WeakPolarHBondContact O-CD2 3.38Å; R12-Y16 WeakPolarHBondContact O-CE2 3.46Å; Y13-Y16 PolarHBondContact O-N 3.01Å; L14-Y16 PolarHBondContact O-N 3.38Å; Y16-V71 HydrophobicContact CD2-CG1 4.39Å; Y16-V71 HydrophobicContact CD2-CG2 3.8Å; Y16-V71 HydrophobicContact CE2-CB 4.47Å; Y16-V71 HydrophobicContact CE2-CG1 3.77Å; Y16-V71 HydrophobicContact CE2-CG2 4.02Å; Y16-V74 HydrophobicContact CE1-CG1 3.78Å; Y16-L104 HydrophobicContact CD1-CD1 4.18Å; Y16-L104 HydrophobicContact CD2-CD1 4.3Å; Y16-L104 HydrophobicContact CG-CD1 3.82Å; Y16-M105 WeakPolarHBondContact O-CA 3.1Å; Y16-M105 WeakPolarHBondContact O-CG 3.24Å; Y16-M105 PolarHBondContact O-N 3.15Å
17S85.2Confident82.3Confident4 Ų458 Ų583%0.02831%0.306CS..PPolyproline II helixtrans-93.3143.7178.973.60000112.2L14 S27 H52L14-S17 PolarHBondContact O-N 3.44Å; L14-S17 PolarHBondContact O-OG 2.88Å; S17-S27 CarbonylContact O-C 3.58Å; S17-H52 PolarHBondContact O-ND1 3.38Å
18K86.5Confident82.6Confident78 Ų7856.9 Ų56.934%0.33931%0.307SS..PPolyproline II helixtrans-86.1156.1168.471.6-175.9176.5-176.60110.1C26 M105 N106K18-C26 WeakPolarHBondContact CA-O 3.49Å; K18-M105 VanDerWaalsContact CD-O 3.27Å; K18-M105 WeakPolarHBondContact CD-O 3.48Å; K18-M105 WeakPolarHBondContact CE-O 3.31Å; K18-M105 WeakPolarHBondContact CG-O 3.23Å; K18-N106 PolarHBondContact NZ-OD1 2.83Å
19C84.9Confident82.6Confident9 Ų954.9 Ų54.96%0.06130%0.297CS..PPolyproline II helixtrans-69.8135.2170.4-172.30000110.1C24 C26 H50 H52C19-C24 HydrophobicContact CB-CB 4.14Å; C19-C24 VanDerWaalsContact CB-SG 3.57Å; C19-C24 PolarHBondContact SG-SG 3.24Å; C19-C26 HydrophobicContact CB-CB 3.79Å; C19-C26 PolarHBondContact N-O 3.41Å; C19-H50 VanDerWaalsContact SG-CB 3.54Å; C19-H50 PolarHBondContact SG-ND1 2.71Å; C19-H52 WeakPolarHBondContact CB-NE2 3.34Å; C19-H52 PolarHBondContact N-CE1 3.44Å
20E82.1Confident82.2Confident102 Ų10257.4 Ų57.448%0.47731%0.309SS..  trans-96-1.8178.6-65-177165.300112.9E22 K107E20-E22 PolarHBondContact O-N 2.92Å; E20-K107 WeakPolarHBondContact OE1-CE 3.44Å; E20-K107 IonicContact OE1-NZ 3.62Å; E20-K107 PolarHBondContact OE1-NZ 3.08Å; E20-K107 IonicContact OE2-NZ 3.87Å
21N83.3Confident81.7Confident73 Ų7360.4 Ų60.439%0.3932%0.324SS..SBendtrans-65134.4174.1-8143.3000111.6G23 C24 H50N21-G23 PolarHBondContact O-N 3.42Å; N21-C24 HydrophobicContact CB-CB 4.08Å; N21-C24 VanDerWaalsContact O-CB 3.23Å; N21-C24 WeakPolarHBondContact O-CB 3.45Å; N21-C24 PolarHBondContact O-N 3.08Å; N21-C24 VanDerWaalsContact O-N 3.07Å; N21-H50 HydrophobicContact CB-CB 4.44Å; N21-H50 PolarHBondContact ND2-CD2 3.23Å; N21-H50 VanDerWaalsContact ND2-CG 3.31Å; N21-H50 PolarHBondContact ND2-NE2 2.98Å
22E81.6Confident80.9Confident199 Ų19960.1 Ų60.193%0.9332%0.322SS*.THydrogen-bonded Turntrans-55.7132.6178.3-66.5-165.8157.300111.9E20 C24E20-E22 PolarHBondContact O-N 2.92Å; E22-C24 PolarHBondContact O-N 3.36Å
23G81.1Confident79.5Confident83 Ų8363.2 Ų63.286%0.85634%0.344SS*.THydrogen-bonded Turntrans77.5-10.9-178.500000115.5N21N21-G23 PolarHBondContact O-N 3.42Å
24C83.5Confident77.7Confident33 Ų3370 Ų7022%0.22338%0.38CS..  trans-76.1133.3178.4-170.90000111.7C19 N21 E22 C26 C48C19-C24 HydrophobicContact CB-CB 4.14Å; C19-C24 VanDerWaalsContact CB-SG 3.57Å; C19-C24 PolarHBondContact SG-SG 3.24Å; N21-C24 HydrophobicContact CB-CB 4.08Å; N21-C24 VanDerWaalsContact O-CB 3.23Å; N21-C24 WeakPolarHBondContact O-CB 3.45Å; N21-C24 PolarHBondContact O-N 3.08Å; N21-C24 VanDerWaalsContact O-N 3.07Å; E22-C24 PolarHBondContact O-N 3.36Å; C24-C26 WeakPolarHBondContact SG-CB 3.16Å; C24-C26 PolarHBondContact SG-N 2.99Å; C24-C48 VanDerWaalsContact SG-CB 3.58Å
25K82.4Confident76Confident203 Ų20372 Ų7288%0.88340%0.397SS*.  trans-102.99.6176.5-64.7-175.7-178.9177.40113.7S27K25-S27 PolarHBondContact O-N 3.45Å
26C81.3Confident74.3Confident18 Ų1877.2 Ų77.212%0.12242%0.421CS..  trans-66.5119.1-178.2-174.50000110.7K18 C19 C24 T28 C48 H52K18-C26 WeakPolarHBondContact CA-O 3.49Å; C19-C26 HydrophobicContact CB-CB 3.79Å; C19-C26 PolarHBondContact N-O 3.41Å; C24-C26 WeakPolarHBondContact SG-CB 3.16Å; C24-C26 PolarHBondContact SG-N 2.99Å; C26-T28 PolarHBondContact SG-O 3.33Å; C26-C48 HydrophobicContact CB-CB 3.61Å; C26-H52 VanDerWaalsContact SG-CE1 3.55Å
27S78.3Confident72.8Confident60 Ų6081.2 Ų81.242%0.4244%0.444SS..  trans-103.3-5.1-17555.70000113.7S17 K25S17-S27 CarbonylContact O-C 3.58Å; K25-S27 PolarHBondContact O-N 3.45Å
28T77Confident71.3Confident56 Ų5690 Ų9034%0.34449%0.485SS..SBendtrans-149.5121.5-174.2-620000108.7C26 N47C26-T28 PolarHBondContact SG-O 3.33Å; T28-N47 PolarHBondContact O-ND2 3.3Å
29W76.2Confident69.9Low15 Ų1592.6 Ų92.66%0.05750%0.496CS..  trans-73.8140.2172.6-175.886.1000111.1L14 L31 L40 A43 H52L14-W29 HydrophobicContact CB-CB 4.12Å; L14-W29 HydrophobicContact CB-CD2 3.73Å; L14-W29 HydrophobicContact CB-CE3 3.44Å; L14-W29 VanDerWaalsContact CB-CE3 3.44Å; L14-W29 HydrophobicContact CB-CG 4.07Å; L14-W29 HydrophobicContact CB-CH2 4.48Å; L14-W29 HydrophobicContact CB-CZ3 3.84Å; L14-W29 HydrophobicContact CD1-CD2 4.04Å; L14-W29 HydrophobicContact CD1-CE3 4.07Å; L14-W29 HydrophobicContact CD1-CH2 3.66Å; L14-W29 HydrophobicContact CD1-CZ2 3.75Å; L14-W29 HydrophobicContact CD1-CZ3 3.86Å; L14-W29 HydrophobicContact CG-CD2 4.37Å; L14-W29 HydrophobicContact CG-CE3 4.36Å; L14-W29 VanDerWaalsContact O-CB 3.22Å; L14-W29 WeakPolarHBondContact O-CB 3.34Å; W29-L31 HydrophobicContact CE3-CB 4.33Å; W29-L31 HydrophobicContact CH2-CB 3.38Å; W29-L31 HydrophobicContact CH2-CD1 3.18Å; W29-L31 HydrophobicContact CH2-CD2 4.14Å; W29-L31 HydrophobicContact CH2-CG 3.68Å; W29-L31 HydrophobicContact CZ2-CB 4.01Å; W29-L31 HydrophobicContact CZ2-CD1 3.39Å; W29-L31 HydrophobicContact CZ2-CG 4.25Å; W29-L31 HydrophobicContact CZ3-CB 3.54Å; W29-L31 HydrophobicContact CZ3-CD1 4.23Å; W29-L31 HydrophobicContact CZ3-CG 4.3Å; W29-L40 HydrophobicContact CH2-CD2 4.35Å; W29-L40 HydrophobicContact CH2-CG 4.45Å; W29-A43 HydrophobicContact CZ2-CB 3.87Å; W29-H52 HydrophobicContact CB-CB 4.36Å; W29-H52 WeakPolarHBondContact CB-ND1 3.43Å; W29-H52 AromaticContact CD1-CD2 3.76Å; W29-H52 AromaticContact CD1-CG 3.59Å; W29-H52 AromaticContact CD1-ND1 4Å; W29-H52 HydrophobicContact CG-CB 4.3Å
30K76.1Confident68.7Low86 Ų8692.9 Ų92.937%0.37450%0.497SS..  trans-127.9122.6175.4-169.8176.2-176.9-122.50108.3E46 N47K30-E46 HydrophobicContact CB-CB 4.17Å; K30-E46 HydrophobicContact CD-CB 4.29Å; K30-E46 VanDerWaalsContact CD-OE2 3.29Å; K30-E46 WeakPolarHBondContact CD-OE2 3.48Å; K30-E46 VanDerWaalsContact CE-OE2 3.25Å; K30-E46 WeakPolarHBondContact CE-OE2 3.36Å; K30-E46 HydrophobicContact CG-CB 4.27Å; K30-E46 WeakPolarHBondContact CG-OE2 3.24Å; K30-E46 IonicContact NZ-OE2 3.74Å; K30-E46 PolarHBondContact NZ-OE2 2.96Å; K30-E46 PolarHBondContact O-N 3.4Å; K30-N47 WeakPolarHBondContact CD-OD1 3.47Å
31L68.9Low67.7Low65 Ų6591.4 Ų91.434%0.3449%0.492SS..  trans-74.2138.4-179.9-172.858.4000110.1W29 A35 L40 A43W29-L31 HydrophobicContact CE3-CB 4.33Å; W29-L31 HydrophobicContact CH2-CB 3.38Å; W29-L31 HydrophobicContact CH2-CD1 3.18Å; W29-L31 HydrophobicContact CH2-CD2 4.14Å; W29-L31 HydrophobicContact CH2-CG 3.68Å; W29-L31 HydrophobicContact CZ2-CB 4.01Å; W29-L31 HydrophobicContact CZ2-CD1 3.39Å; W29-L31 HydrophobicContact CZ2-CG 4.25Å; W29-L31 HydrophobicContact CZ3-CB 3.54Å; W29-L31 HydrophobicContact CZ3-CD1 4.23Å; W29-L31 HydrophobicContact CZ3-CG 4.3Å; L31-A35 HydrophobicContact CD1-CB 3.65Å; L31-A35 HydrophobicContact CG-CB 4.35Å; L31-L40 HydrophobicContact CD1-CD1 4.33Å; L31-A43 HydrophobicContact CD1-CB 4.18Å
32S62Low66.7Low40 Ų4093.5 Ų93.528%0.2850%0.499SS..  trans-79.5141.9171.767.40000112.2N34 A35 E46S32-N34 PolarHBondContact O-N 3.24Å; S32-A35 PolarHBondContact O-N 3.43Å; S32-E46 VanDerWaalsContact CA-OE1 3.27Å; S32-E46 WeakPolarHBondContact CA-OE1 3.36Å
33D55.1Low66Low133 Ų13384.6 Ų84.671%0.71146%0.459SS*.THydrogen-bonded Turntrans-57.6-10.9-177.7-72.4-23.4000114.1
34N49.8Very low65.7Low145 Ų14585.1 Ų85.178%0.77544%0.441SS*.THydrogen-bonded Turntrans-103.64-174.5-69.2-24.5000115S32 I36S32-N34 PolarHBondContact O-N 3.24Å; N34-I36 PolarHBondContact O-N 3.07Å
35A49.1Very low65.6Low44 Ų4483.6 Ų83.636%0.36443%0.431SS..  trans-77.7117.1-177.400000112.4L31 S32L31-A35 HydrophobicContact CD1-CB 3.65Å; L31-A35 HydrophobicContact CG-CB 4.35Å; S32-A35 PolarHBondContact O-N 3.43Å
36I49.8Very low65.5Low151 Ų15177.5 Ų77.577%0.77441%0.406SS*.  trans-81.9139.2176.5-52169.5000109.1N34 E38 K39N34-I36 PolarHBondContact O-N 3.07Å; I36-E38 PolarHBondContact O-N 3.44Å; I36-K39 PolarHBondContact O-N 2.91Å
37D54.5Low65.5Low109 Ų10981.2 Ų81.258%0.58343%0.425SS*.THydrogen-bonded Turntrans-44-16.7-165.6-93.4-30.7000119.1Y7Y7-D37 WeakPolarHBondContact CD2-O 3.37Å; Y7-D37 VanDerWaalsContact CE2-O 3.28Å; Y7-D37 WeakPolarHBondContact CE2-O 3.45Å; Y7-D37 PolarHBondContact OH-OD1 3.17Å
38E53.6Low65.9Low188 Ų18879.5 Ų79.588%0.87941%0.412SS*.THydrogen-bonded Turntrans-104.3-1.5-170.8-70.5-175.7158.500115.4I36I36-E38 PolarHBondContact O-N 3.44Å
39K58.3Low66.2Low132 Ų13281.4 Ų81.457%0.57443%0.427SS*.  trans-128.435.1-172.8-75.8-177163.2-123.70115.9I36 I41 E42 A43I36-K39 PolarHBondContact O-N 2.91Å; K39-I41 PolarHBondContact O-N 3.35Å; K39-E42 IonicContact NZ-OE2 2.79Å; K39-E42 PolarHBondContact NZ-OE2 2.89Å; K39-E42 PolarHBondContact O-N 3.1Å; K39-E42 VanDerWaalsContact O-N 3.08Å; K39-A43 PolarHBondContact O-N 3.28Å
40L59.7Low66.4Low15 Ų1583.5 Ų83.58%0.07944%0.437CS..G310 helixtrans-61.9-25.8177.9-134.195.2000113.6Y7 L10 L14 W29 L31 E42 A43Y7-L40 HydrophobicContact CD2-CB 4.23Å; Y7-L40 HydrophobicContact CD2-CD1 3.99Å; Y7-L40 HydrophobicContact CE2-CD1 3.5Å; Y7-L40 VanDerWaalsContact CE2-CD1 3.5Å; L10-L40 HydrophobicContact CB-CD2 3.66Å; L14-L40 HydrophobicContact CD1-CD2 3.57Å; L14-L40 HydrophobicContact CD1-CG 4.39Å; W29-L40 HydrophobicContact CH2-CD2 4.35Å; W29-L40 HydrophobicContact CH2-CG 4.45Å; L31-L40 HydrophobicContact CD1-CD1 4.33Å; L40-E42 PolarHBondContact O-N 2.98Å; L40-A43 HydrophobicContact CG-CB 4.48Å; L40-A43 WeakPolarHBondContact O-CB 3.42Å; L40-A43 PolarHBondContact O-N 2.73Å
41I59.7Low66.5Low72 Ų7282.1 Ų82.137%0.36944%0.436SS..G310 helixtrans-64.1-26.9177.8-55.9172.3000111.4L10 K39 V51 L55L10-I41 HydrophobicContact CD1-CG1 4.26Å; K39-I41 PolarHBondContact O-N 3.35Å; I41-V51 WeakPolarHBondContact O-CG1 3.05Å; I41-L55 HydrophobicContact CD1-CD1 3.88Å; I41-L55 HydrophobicContact CG1-CD1 3.84Å; I41-L55 HydrophobicContact CG2-CB 4.26Å
42E63.5Low66.9Low117 Ų11779.2 Ų79.255%0.54742%0.42SS..G310 helixtrans-1075.7-179.6-61.5175.2170.500111.6K39 L40 I44K39-E42 IonicContact NZ-OE2 2.79Å; K39-E42 PolarHBondContact NZ-OE2 2.89Å; K39-E42 PolarHBondContact O-N 3.1Å; K39-E42 VanDerWaalsContact O-N 3.08Å; L40-E42 PolarHBondContact O-N 2.98Å; E42-I44 PolarHBondContact O-N 3.35Å
43A66.8Low67.4Low11 Ų1177.7 Ų77.79%0.09141%0.409CS..PPolyproline II helixtrans-71.5120.5-17200000111.7W29 L31 K39 L40W29-A43 HydrophobicContact CZ2-CB 3.87Å; L31-A43 HydrophobicContact CD1-CB 4.18Å; K39-A43 PolarHBondContact O-N 3.28Å; L40-A43 HydrophobicContact CG-CB 4.48Å; L40-A43 WeakPolarHBondContact O-CB 3.42Å; L40-A43 PolarHBondContact O-N 2.73Å
44I75.1Confident68Low94 Ų9473.9 Ų73.948%0.48239%0.392SS..BIsolated β-bridgetrans-77.1128.8-179.6-62.5176.1000109.3E42 C49E42-I44 PolarHBondContact O-N 3.35Å; I44-C49 VanDerWaalsContact CG2-C 3.41Å; I44-C49 VanDerWaalsContact CG2-CA 3.42Å; I44-C49 HydrophobicContact CG2-CB 4.18Å
45C80.8Confident68.7Low1 Ų169.8 Ų69.81%0.00737%0.37CS..PPolyproline II helixtrans-63.6130.7174.1-174.10000111.2N47 C48 C49 H50C45-N47 PolarHBondContact O-N 3.17Å; C45-N47 PolarHBondContact SG-N 2.86Å; C45-N47 VanDerWaalsContact SG-N 3.41Å; C45-C48 VanDerWaalsContact CB-SG 3.58Å; C45-C49 VanDerWaalsContact O-CA 3.23Å; C45-C49 WeakPolarHBondContact O-CA 3.47Å; C45-C49 PolarHBondContact O-N 3.33Å; C45-H50 WeakPolarHBondContact CB-O 3.47Å; C45-H50 PolarHBondContact N-O 3.28Å
46E80.8Confident69.2Low75 Ų7576.9 Ų76.935%0.3539%0.393SS..THydrogen-bonded Turntrans-63.8-28.3174-67-166.1145.200113.3K30 S32K30-E46 HydrophobicContact CB-CB 4.17Å; K30-E46 HydrophobicContact CD-CB 4.29Å; K30-E46 VanDerWaalsContact CD-OE2 3.29Å; K30-E46 WeakPolarHBondContact CD-OE2 3.48Å; K30-E46 VanDerWaalsContact CE-OE2 3.25Å; K30-E46 WeakPolarHBondContact CE-OE2 3.36Å; K30-E46 HydrophobicContact CG-CB 4.27Å; K30-E46 WeakPolarHBondContact CG-OE2 3.24Å; K30-E46 IonicContact NZ-OE2 3.74Å; K30-E46 PolarHBondContact NZ-OE2 2.96Å; K30-E46 PolarHBondContact O-N 3.4Å; S32-E46 VanDerWaalsContact CA-OE1 3.27Å; S32-E46 WeakPolarHBondContact CA-OE1 3.36Å
47N81.3Confident69.9Low97 Ų9773.6 Ų73.652%0.51938%0.377SS..THydrogen-bonded Turntrans-79.8-32.3-174.1-71.11.8000113.1T28 K30 C45T28-N47 PolarHBondContact O-ND2 3.3Å; K30-N47 WeakPolarHBondContact CD-OD1 3.47Å; C45-N47 PolarHBondContact O-N 3.17Å; C45-N47 PolarHBondContact SG-N 2.86Å; C45-N47 VanDerWaalsContact SG-N 3.41Å
48C85.5Confident70.4Confident24 Ų2473.3 Ų73.316%0.16238%0.381CS..THydrogen-bonded Turntrans-134.20.8-172.967.70000114.8C24 C26 C45 H50 H52C24-C48 VanDerWaalsContact SG-CB 3.58Å; C26-C48 HydrophobicContact CB-CB 3.61Å; C45-C48 VanDerWaalsContact CB-SG 3.58Å; C48-H50 PolarHBondContact O-N 3.42Å; C48-H50 PolarHBondContact O-ND1 3.4Å; C48-H52 PolarHBondContact SG-NE2 3.19Å
49C83.3Confident71.2Confident95 Ų9567 Ų6764%0.64236%0.358SS*.SBendtrans57.826.6-178.5-570000114.4I44 C45I44-C49 VanDerWaalsContact CG2-C 3.41Å; I44-C49 VanDerWaalsContact CG2-CA 3.42Å; I44-C49 HydrophobicContact CG2-CB 4.18Å; C45-C49 VanDerWaalsContact O-CA 3.23Å; C45-C49 WeakPolarHBondContact O-CA 3.47Å; C45-C49 PolarHBondContact O-N 3.33Å
50H81.4Confident71.9Confident59 Ų5962.1 Ų62.127%0.27334%0.337SS..SBendtrans-117.9159.8177.8-58.3140.1000112.4C19 N21 C45 C48C19-H50 VanDerWaalsContact SG-CB 3.54Å; C19-H50 PolarHBondContact SG-ND1 2.71Å; N21-H50 HydrophobicContact CB-CB 4.44Å; N21-H50 PolarHBondContact ND2-CD2 3.23Å; N21-H50 VanDerWaalsContact ND2-CG 3.31Å; N21-H50 PolarHBondContact ND2-NE2 2.98Å; C45-H50 WeakPolarHBondContact CB-O 3.47Å; C45-H50 PolarHBondContact N-O 3.28Å; C48-H50 PolarHBondContact O-N 3.42Å; C48-H50 PolarHBondContact O-ND1 3.4Å
51V77.1Confident72.6Confident57 Ų5764.1 Ų64.135%0.34535%0.352SS..BIsolated β-bridgetrans-82.7130.1169.9-179.60000108.6I41 Y53I41-V51 WeakPolarHBondContact O-CG1 3.05Å; V51-Y53 VanDerWaalsContact CG1-O 3.31Å; V51-Y53 WeakPolarHBondContact CG1-O 3.48Å
52H77.9Confident73.5Confident4 Ų464.8 Ų64.82%0.01936%0.36CS..  trans-96.1-6.2-177.2-83.4-140.6000113.9L14 S17 C19 C26 W29 C48L14-H52 HydrophobicContact CD2-CB 4.07Å; S17-H52 PolarHBondContact O-ND1 3.38Å; C19-H52 WeakPolarHBondContact CB-NE2 3.34Å; C19-H52 PolarHBondContact N-CE1 3.44Å; C26-H52 VanDerWaalsContact SG-CE1 3.55Å; W29-H52 HydrophobicContact CB-CB 4.36Å; W29-H52 WeakPolarHBondContact CB-ND1 3.43Å; W29-H52 AromaticContact CD1-CD2 3.76Å; W29-H52 AromaticContact CD1-CG 3.59Å; W29-H52 AromaticContact CD1-ND1 4Å; W29-H52 HydrophobicContact CG-CB 4.3Å; C48-H52 PolarHBondContact SG-NE2 3.19Å
53Y73.4Confident74.6Confident9 Ų961 Ų614%0.03534%0.341CS..  trans-152.5129.6-175.6-162.2-93.4000111.5L10 Y13 V51 L55 E60L10-Y53 HydrophobicContact CD2-CD1 3.46Å; L10-Y53 VanDerWaalsContact CD2-CD1 3.46Å; L10-Y53 HydrophobicContact CD2-CD2 4.46Å; L10-Y53 HydrophobicContact CD2-CE1 3.5Å; L10-Y53 VanDerWaalsContact CD2-CE1 3.5Å; L10-Y53 HydrophobicContact CD2-CE2 4.46Å; L10-Y53 HydrophobicContact CD2-CG 3.96Å; Y13-Y53 HydrophobicContact CD1-CD2 4.19Å; Y13-Y53 HydrophobicContact CD1-CE2 4.16Å; Y13-Y53 AromaticContact CE1-CD2 3.72Å; Y13-Y53 HydrophobicContact CE1-CD2 3.72Å; Y13-Y53 AromaticContact CE1-CE2 3.69Å; Y13-Y53 HydrophobicContact CE1-CE2 3.69Å; V51-Y53 VanDerWaalsContact CG1-O 3.31Å; V51-Y53 WeakPolarHBondContact CG1-O 3.48Å; Y53-L55 HydrophobicContact CD1-CD1 4.13Å; Y53-L55 HydrophobicContact CE1-CD1 3.82Å; Y53-L55 HydrophobicContact CE1-CG 4.08Å; Y53-E60 WeakPolarHBondContact CE2-OE2 3.33Å; Y53-E60 PolarHBondContact OH-O 2.88Å; Y53-E60 VanDerWaalsContact OH-O 3.05Å; Y53-E60 PolarHBondContact OH-OE2 3.03Å
54S66.9Low75.5Confident53 Ų5360.6 Ų60.637%0.37134%0.337SS..  trans-125.3128.1178.774.40000110.6F56S54-F56 VanDerWaalsContact C-N 3.3Å; S54-F56 PolarHBondContact O-N 3.07Å
55L65.2Low75.9Confident59 Ų5960.1 Ų60.131%0.30934%0.336SS..  trans-90.126-170.3-118.9125.8000114.6L6 L10 I41 Y53 D57L6-L55 HydrophobicContact CD1-CD1 4.2Å; L6-L55 HydrophobicContact CD1-CD2 4.47Å; L6-L55 HydrophobicContact CD2-CD1 3.83Å; L6-L55 HydrophobicContact CD2-CD2 3.95Å; L6-L55 HydrophobicContact CG-CD1 4.33Å; L10-L55 HydrophobicContact CD1-CD1 4.02Å; I41-L55 HydrophobicContact CD1-CD1 3.88Å; I41-L55 HydrophobicContact CG1-CD1 3.84Å; I41-L55 HydrophobicContact CG2-CB 4.26Å; Y53-L55 HydrophobicContact CD1-CD1 4.13Å; Y53-L55 HydrophobicContact CE1-CD1 3.82Å; Y53-L55 HydrophobicContact CE1-CG 4.08Å; L55-D57 VanDerWaalsContact C-N 3.3Å; L55-D57 PolarHBondContact O-N 3.1Å
56F59.6Low76.1Confident192 Ų19262.7 Ų62.784%0.84235%0.353SS*.  trans-76.1-13.1-172.2-64.9-71.1000114.5S54S54-F56 VanDerWaalsContact C-N 3.3Å; S54-F56 PolarHBondContact O-N 3.07Å
57D63Low76.5Confident82 Ų8259.1 Ų59.144%0.43934%0.337SS..  trans-120.7127.8-173.6-173-8.2000112.3L55 S59 E60L55-D57 VanDerWaalsContact C-N 3.3Å; L55-D57 PolarHBondContact O-N 3.1Å; D57-S59 PolarHBondContact O-N 2.81Å; D57-S59 VanDerWaalsContact O-N 3.15Å; D57-S59 WeakPolarHBondContact OD1-CB 3.38Å; D57-S59 PolarHBondContact OD1-N 3.05Å; D57-S59 PolarHBondContact OD1-OG 3.5Å; D57-S59 WeakPolarHBondContact OD2-CB 3.5Å; D57-S59 PolarHBondContact OD2-OG 3.01Å; D57-E60 HydrophobicContact CB-CG 4.19Å; D57-E60 WeakPolarHBondContact O-CB 3.38Å; D57-E60 PolarHBondContact O-N 3.43Å
58P65.2Low77Confident104 Ų10454.8 Ų54.868%0.67531%0.314SS*.Hα-helixtrans-49.6-31.7168.4-2834.5000114.5E60 S61P58-E60 VanDerWaalsContact C-N 3.27Å; P58-E60 PolarHBondContact O-N 2.96Å; P58-S61 PolarHBondContact O-N 3.36Å; P58-S61 PolarHBondContact O-OG 3.3Å
59S71.2Confident77.1Confident55 Ų5556.9 Ų56.939%0.38532%0.321SS..Hα-helixtrans-60.5-35.5177.482.20000112.4D57 S61 T62 W63D57-S59 PolarHBondContact O-N 2.81Å; D57-S59 VanDerWaalsContact O-N 3.15Å; D57-S59 WeakPolarHBondContact OD1-CB 3.38Å; D57-S59 PolarHBondContact OD1-N 3.05Å; D57-S59 PolarHBondContact OD1-OG 3.5Å; D57-S59 WeakPolarHBondContact OD2-CB 3.5Å; D57-S59 PolarHBondContact OD2-OG 3.01Å; S59-S61 VanDerWaalsContact C-N 3.3Å; S59-S61 PolarHBondContact O-N 3.37Å; S59-T62 PolarHBondContact O-N 3.2Å; S59-T62 PolarHBondContact O-OG1 3.02Å; S59-W63 PolarHBondContact O-N 2.9Å
60E73.3Confident77.6Confident29 Ų2952.4 Ų52.414%0.13629%0.291CS..Hα-helixtrans-65.1-32.5178.6-71.8-74.9173.400111.7Y53 D57 P58 W63 L64 K107Y53-E60 WeakPolarHBondContact CE2-OE2 3.33Å; Y53-E60 PolarHBondContact OH-O 2.88Å; Y53-E60 VanDerWaalsContact OH-O 3.05Å; Y53-E60 PolarHBondContact OH-OE2 3.03Å; D57-E60 HydrophobicContact CB-CG 4.19Å; D57-E60 WeakPolarHBondContact O-CB 3.38Å; D57-E60 PolarHBondContact O-N 3.43Å; P58-E60 VanDerWaalsContact C-N 3.27Å; P58-E60 PolarHBondContact O-N 2.96Å; E60-W63 PolarHBondContact O-N 3.38Å; E60-L64 VanDerWaalsContact O-CB 3.3Å; E60-L64 WeakPolarHBondContact O-CB 3.44Å; E60-L64 PolarHBondContact O-N 3.03Å; E60-K107 IonicContact OE1-NZ 2.73Å; E60-K107 PolarHBondContact OE1-NZ 3.01Å; E60-K107 IonicContact OE2-NZ 3.21Å; E60-K107 PolarHBondContact OE2-NZ 3.4Å
61S73.4Confident78.1Confident57 Ų5749.6 Ų49.640%0.39928%0.278SS..Hα-helixtrans-67.8-38.7176.475.80000112.6P58 S59 N65P58-S61 PolarHBondContact O-N 3.36Å; P58-S61 PolarHBondContact O-OG 3.3Å; S59-S61 VanDerWaalsContact C-N 3.3Å; S59-S61 PolarHBondContact O-N 3.37Å; S61-N65 PolarHBondContact O-N 3.09Å; S61-N65 PolarHBondContact O-ND2 2.82Å
62T79.4Confident78.7Confident87 Ų8749.5 Ų49.553%0.53428%0.275SS..Hα-helixtrans-71.4-38.7177.1660000111.5S59 S66S59-T62 PolarHBondContact O-N 3.2Å; S59-T62 PolarHBondContact O-OG1 3.02Å; T62-S66 PolarHBondContact O-N 2.71Å; T62-S66 PolarHBondContact O-OG 3.18Å
63W85.9Confident79.4Confident37 Ų3749.5 Ų49.514%0.1428%0.275CS..Hα-helixtrans-62-47.7172.6173.6-105.2000111.2Y13 S59 E60 N65 S66 A67 M70 K107Y13-W63 AromaticContact CZ-NE1 3.87Å; Y13-W63 PolarHBondContact OH-NE1 3.18Å; S59-W63 PolarHBondContact O-N 2.9Å; E60-W63 PolarHBondContact O-N 3.38Å; W63-N65 VanDerWaalsContact C-N 3.28Å; W63-N65 PolarHBondContact O-N 2.91Å; W63-S66 CarbonylContact O-C 3.46Å; W63-S66 WeakPolarHBondContact O-CA 3.39Å; W63-S66 WeakPolarHBondContact O-CB 3.33Å; W63-S66 PolarHBondContact O-N 2.87Å; W63-A67 HydrophobicContact CZ2-CB 4.43Å; W63-A67 WeakPolarHBondContact O-CB 3.37Å; W63-A67 PolarHBondContact O-N 3.45Å; W63-M70 HydrophobicContact CH2-SD 4.15Å; W63-K107 HydrophobicContact CD2-CB 4.42Å; W63-K107 HydrophobicContact CH2-CB 4.47Å; W63-K107 HydrophobicContact CZ2-CB 3.99Å; W63-K107 HydrophobicContact CZ2-CG 4.34Å
64L86Confident80.3Confident2 Ų249.1 Ų49.11%0.0127%0.274CS..Hα-helixtrans-57.5-40.2-178.8-174.462.1000112.3L6 K9 L10 Y13 E60 A67 M68L6-L64 HydrophobicContact CD1-CD2 3.66Å; K9-L64 HydrophobicContact CB-CD1 4.31Å; K9-L64 HydrophobicContact CB-CD2 3.84Å; K9-L64 HydrophobicContact CB-CG 4.01Å; K9-L64 HydrophobicContact CD-CD2 4.42Å; L10-L64 HydrophobicContact CD2-CD1 4.19Å; L10-L64 HydrophobicContact CD2-CD2 3.96Å; L10-L64 HydrophobicContact CG-CD2 4.28Å; Y13-L64 HydrophobicContact CD1-CD1 4.03Å; Y13-L64 HydrophobicContact CG-CD1 4.01Å; E60-L64 VanDerWaalsContact O-CB 3.3Å; E60-L64 WeakPolarHBondContact O-CB 3.44Å; E60-L64 PolarHBondContact O-N 3.03Å; L64-A67 PolarHBondContact O-N 3.38Å; L64-M68 HydrophobicContact CD1-CE 4.13Å; L64-M68 WeakPolarHBondContact O-CG 3.41Å; L64-M68 PolarHBondContact O-N 3.49Å
65N83.1Confident81.4Confident85 Ų8547.9 Ų47.946%0.45526%0.262SS..Hα-helixtrans-62.7-41.2174.5-70.7-35.1000112.2K9 S61 W63 M68K9-N65 PolarHBondContact NZ-OD1 2.95Å; S61-N65 PolarHBondContact O-N 3.09Å; S61-N65 PolarHBondContact O-ND2 2.82Å; W63-N65 VanDerWaalsContact C-N 3.28Å; W63-N65 PolarHBondContact O-N 2.91Å; N65-M68 PolarHBondContact O-N 3.21Å
66S85.1Confident82.7Confident55 Ų5550.1 Ų50.139%0.38527%0.266SS..Hα-helixtrans-68-36.7175.2-57.50000111.9T62 W63 M68 Q69 M70T62-S66 PolarHBondContact O-N 2.71Å; T62-S66 PolarHBondContact O-OG 3.18Å; W63-S66 CarbonylContact O-C 3.46Å; W63-S66 WeakPolarHBondContact O-CA 3.39Å; W63-S66 WeakPolarHBondContact O-CB 3.33Å; W63-S66 PolarHBondContact O-N 2.87Å; S66-M68 VanDerWaalsContact C-N 3.33Å; S66-M68 PolarHBondContact O-N 3.4Å; S66-Q69 PolarHBondContact O-N 3.33Å; S66-M70 PolarHBondContact O-N 3.28Å
67A89.9Confident84.2Confident0 Ų041 Ų410%023%0.227CC..Hα-helixtrans-66.5-32.8178.100000112.1Y13 W63 L64 Q69 M70 V71 L104Y13-A67 HydrophobicContact CD2-CB 3.74Å; Y13-A67 HydrophobicContact CE2-CB 3.83Å; W63-A67 HydrophobicContact CZ2-CB 4.43Å; W63-A67 WeakPolarHBondContact O-CB 3.37Å; W63-A67 PolarHBondContact O-N 3.45Å; L64-A67 PolarHBondContact O-N 3.38Å; A67-Q69 PolarHBondContact O-N 2.92Å; A67-M70 WeakPolarHBondContact O-CB 3.21Å; A67-M70 PolarHBondContact O-N 2.6Å; A67-V71 WeakPolarHBondContact O-CG2 3.46Å; A67-V71 PolarHBondContact O-N 3.39Å; A67-L104 HydrophobicContact CB-CD2 4.04Å
68M90.6Very high85.4Confident6 Ų638.5 Ų38.53%0.0321%0.211CC..Hα-helixtrans-59.3-46.2175-72.8-58.395.400112.4K9 R12 L64 N65 S66 M70 V71 D72K9-M68 HydrophobicContact CB-CE 4.35Å; K9-M68 HydrophobicContact CB-CG 4.18Å; K9-M68 HydrophobicContact CB-SD 3.87Å; K9-M68 HydrophobicContact CD-CG 4.28Å; K9-M68 HydrophobicContact CG-CG 3.97Å; K9-M68 HydrophobicContact CG-SD 4.04Å; K9-M68 WeakPolarHBondContact O-CE 3.4Å; R12-M68 HydrophobicContact CB-CE 4.32Å; R12-M68 HydrophobicContact CB-SD 4.24Å; L64-M68 HydrophobicContact CD1-CE 4.13Å; L64-M68 WeakPolarHBondContact O-CG 3.41Å; L64-M68 PolarHBondContact O-N 3.49Å; N65-M68 PolarHBondContact O-N 3.21Å; S66-M68 VanDerWaalsContact C-N 3.33Å; S66-M68 PolarHBondContact O-N 3.4Å; M68-M70 VanDerWaalsContact C-N 3.27Å; M68-M70 PolarHBondContact O-N 3.41Å; M68-V71 HydrophobicContact CE-CG2 4.3Å; M68-V71 WeakPolarHBondContact O-CB 3.37Å; M68-V71 PolarHBondContact O-N 3.11Å; M68-V71 VanDerWaalsContact O-N 3.1Å; M68-D72 PolarHBondContact O-N 3.29Å
69Q88.9Confident86.5Confident68 Ų6835.1 Ų35.132%0.31819%0.187SC..Hα-helixtrans-60.6-38.9175.7-175.861.875.400111.8S66 A67 D72 D73 N195S66-Q69 PolarHBondContact O-N 3.33Å; A67-Q69 PolarHBondContact O-N 2.92Å; Q69-D72 PolarHBondContact O-N 3.49Å; Q69-D73 PolarHBondContact NE2-OD1 2.91Å; Q69-D73 WeakPolarHBondContact O-CB 3.45Å; Q69-D73 PolarHBondContact O-N 3.44Å; Q69-N195 HydrophobicContact CG-CB 3.74Å; Q69-N195 PolarHBondContact OE1-ND2 3.19Å
70M92.3Very high87.3Confident1 Ų134 Ų341%0.00518%0.176CC..Hα-helixtrans-67.4-35.3175.5-69.6174.870.600112.7W63 S66 A67 M68 D73 V74 A103 L104 P110 A196W63-M70 HydrophobicContact CH2-SD 4.15Å; S66-M70 PolarHBondContact O-N 3.28Å; A67-M70 WeakPolarHBondContact O-CB 3.21Å; A67-M70 PolarHBondContact O-N 2.6Å; M68-M70 VanDerWaalsContact C-N 3.27Å; M68-M70 PolarHBondContact O-N 3.41Å; M70-D73 PolarHBondContact O-N 3.39Å; M70-V74 VanDerWaalsContact O-CG2 3.29Å; M70-V74 WeakPolarHBondContact O-CG2 3.28Å; M70-V74 PolarHBondContact O-N 3.36Å; M70-A103 HydrophobicContact CE-CB 3.4Å; M70-A103 VanDerWaalsContact CE-CB 3.4Å; M70-L104 HydrophobicContact CB-CD1 4.44Å; M70-L104 HydrophobicContact CB-CD2 3.6Å; M70-L104 HydrophobicContact CB-CG 4.01Å; M70-L104 HydrophobicContact CE-CD2 4.14Å; M70-L104 HydrophobicContact CE-CG 3.99Å; M70-L104 HydrophobicContact SD-CD2 4.22Å; M70-P110 HydrophobicContact CE-CG 4.36Å; M70-A196 HydrophobicContact CB-CB 4.38Å; M70-A196 HydrophobicContact CG-CB 3.54Å
71V91.8Very high88Confident0 Ų033.2 Ų33.20%017%0.174CC..Hα-helixtrans-65.6-46.8174.7169.90000110.3R12 Y16 A67 M68 D73 V74 E75 L104R12-V71 HydrophobicContact CB-CG1 4.4Å; Y16-V71 HydrophobicContact CD2-CG1 4.39Å; Y16-V71 HydrophobicContact CD2-CG2 3.8Å; Y16-V71 HydrophobicContact CE2-CB 4.47Å; Y16-V71 HydrophobicContact CE2-CG1 3.77Å; Y16-V71 HydrophobicContact CE2-CG2 4.02Å; A67-V71 WeakPolarHBondContact O-CG2 3.46Å; A67-V71 PolarHBondContact O-N 3.39Å; M68-V71 HydrophobicContact CE-CG2 4.3Å; M68-V71 WeakPolarHBondContact O-CB 3.37Å; M68-V71 PolarHBondContact O-N 3.11Å; M68-V71 VanDerWaalsContact O-N 3.1Å; V71-D73 VanDerWaalsContact C-N 3.26Å; V71-D73 PolarHBondContact O-N 3.49Å; V71-V74 WeakPolarHBondContact O-CB 3.43Å; V71-V74 PolarHBondContact O-N 2.97Å; V71-V74 VanDerWaalsContact O-N 3.15Å; V71-E75 WeakPolarHBondContact O-CG 3.37Å; V71-E75 PolarHBondContact O-N 3.03Å; V71-L104 HydrophobicContact CG2-CD1 3.98Å; V71-L104 HydrophobicContact CG2-CD2 4.18Å
72D91Very high88.5Confident54 Ų5433.9 Ų33.929%0.28918%0.176SC..Hα-helixtrans-56.3-44.1174.7-65.4-27.3000111R12 M68 Q69 E75 R76R12-D72 IonicContact CZ-OD1 2.65Å; R12-D72 VanDerWaalsContact CZ-OD1 3.24Å; R12-D72 IonicContact NH1-OD1 3.17Å; R12-D72 PolarHBondContact NH1-OD1 2.94Å; R12-D72 IonicContact NH2-OD1 3.99Å; R12-D72 PolarHBondContact NH2-OD1 3.46Å; M68-D72 PolarHBondContact O-N 3.29Å; Q69-D72 PolarHBondContact O-N 3.49Å; D72-E75 PolarHBondContact O-N 2.85Å; D72-R76 WeakPolarHBondContact O-CB 3.36Å; D72-R76 PolarHBondContact O-N 2.83Å
73D93.1Very high88.9Confident4 Ų436 Ų362%0.02118%0.178CC..Hα-helixtrans-65.4-38.5178-75.8-5.9000112.7Q69 M70 V71 R76 M77 L100 C194 N195 A196Q69-D73 PolarHBondContact NE2-OD1 2.91Å; Q69-D73 WeakPolarHBondContact O-CB 3.45Å; Q69-D73 PolarHBondContact O-N 3.44Å; M70-D73 PolarHBondContact O-N 3.39Å; V71-D73 VanDerWaalsContact C-N 3.26Å; V71-D73 PolarHBondContact O-N 3.49Å; D73-R76 PolarHBondContact O-N 3.35Å; D73-M77 VanDerWaalsContact O-CB 3.3Å; D73-M77 WeakPolarHBondContact O-CB 3.28Å; D73-M77 VanDerWaalsContact O-CG 3.26Å; D73-M77 WeakPolarHBondContact O-CG 3.47Å; D73-M77 PolarHBondContact O-N 3.31Å; D73-L100 HydrophobicContact CB-CD1 4.11Å; D73-C194 VanDerWaalsContact CB-SG 3.54Å; D73-C194 VanDerWaalsContact OD2-C 3.23Å; D73-C194 PolarHBondContact OD2-SG 3.34Å; D73-N195 PolarHBondContact OD1-N 3.42Å; D73-N195 PolarHBondContact OD2-N 3.13Å; D73-A196 WeakPolarHBondContact OD2-CB 3.44Å; D73-A196 PolarHBondContact OD2-N 3.11Å
74V92Very high89.1Confident2 Ų235.3 Ų35.31%0.01218%0.176CC..Hα-helixtrans-62.1-45.1173.71650000110.7Y16 M70 V71 M77 Y78 L97 L100 R101 L104Y16-V74 HydrophobicContact CE1-CG1 3.78Å; M70-V74 VanDerWaalsContact O-CG2 3.29Å; M70-V74 WeakPolarHBondContact O-CG2 3.28Å; M70-V74 PolarHBondContact O-N 3.36Å; V71-V74 WeakPolarHBondContact O-CB 3.43Å; V71-V74 PolarHBondContact O-N 2.97Å; V71-V74 VanDerWaalsContact O-N 3.15Å; V74-M77 PolarHBondContact O-N 2.95Å; V74-Y78 WeakPolarHBondContact O-CB 3.42Å; V74-Y78 PolarHBondContact O-N 3.15Å; V74-L97 HydrophobicContact CB-CD1 4.49Å; V74-L97 HydrophobicContact CG1-CD1 3.92Å; V74-L97 WeakPolarHBondContact O-CD1 3.44Å; V74-L100 HydrophobicContact CG2-CB 3.53Å; V74-L100 HydrophobicContact CG2-CD1 4.27Å; V74-R101 HydrophobicContact CG1-CG 4.16Å; V74-R101 HydrophobicContact CG2-CG 4.23Å; V74-L104 HydrophobicContact CG2-CD1 3.9Å
75E90Very high89.2Confident26 Ų2644 Ų4412%0.12122%0.216CC..Hα-helixtrans-64.6-42.7178.4-68.4-179.5154.300111R12 V71 D72 Y78 I79 Y849R12-E75 IonicContact NH2-OE2 2.71Å; R12-E75 PolarHBondContact NH2-OE2 3.33Å; V71-E75 WeakPolarHBondContact O-CG 3.37Å; V71-E75 PolarHBondContact O-N 3.03Å; D72-E75 PolarHBondContact O-N 2.85Å; E75-Y78 WeakPolarHBondContact O-CB 3.4Å; E75-Y78 PolarHBondContact O-N 3.19Å; E75-I79 WeakPolarHBondContact O-CG1 3.45Å; E75-I79 PolarHBondContact O-N 2.96Å; E75-Y849 WeakPolarHBondContact OE1-CE2 3.49Å; E75-Y849 PolarHBondContact OE1-OH 3.25Å
76R91.1Very high89.4Confident106 Ų10640.7 Ų40.740%0.420%0.199SC..Hα-helixtrans-62.4-48.9175.7-167.2175.8-152.8163.610.2112.2D72 D73 Y78 I79 L80 F193D72-R76 WeakPolarHBondContact O-CB 3.36Å; D72-R76 PolarHBondContact O-N 2.83Å; D73-R76 PolarHBondContact O-N 3.35Å; R76-Y78 VanDerWaalsContact C-N 3.25Å; R76-Y78 PolarHBondContact O-N 3.47Å; R76-I79 PolarHBondContact O-N 3.45Å; R76-L80 HydrophobicContact CG-CD1 4.49Å; R76-L80 WeakPolarHBondContact O-CG 3.42Å; R76-L80 PolarHBondContact O-N 3.35Å; R76-F193 WeakPolarHBondContact CD-O 3.41Å; R76-F193 PolarHBondContact NH1-O 3.48Å
77M91.9Very high89.5Confident1 Ų143.5 Ų43.51%0.00520%0.202CC..Hα-helixtrans-62.6-34.2178.6-76.6-54-46.300112.3D73 V74 L80 C81 Y93 I96 L97 L100 V190 F193D73-M77 VanDerWaalsContact O-CB 3.3Å; D73-M77 WeakPolarHBondContact O-CB 3.28Å; D73-M77 VanDerWaalsContact O-CG 3.26Å; D73-M77 WeakPolarHBondContact O-CG 3.47Å; D73-M77 PolarHBondContact O-N 3.31Å; V74-M77 PolarHBondContact O-N 2.95Å; M77-L80 PolarHBondContact O-N 3.34Å; M77-L80 HydrophobicContact SD-CD1 3.98Å; M77-C81 PolarHBondContact O-N 3.02Å; M77-C81 PolarHBondContact O-SG 2.91Å; M77-Y93 HydrophobicContact CE-CD1 3.7Å; M77-Y93 HydrophobicContact CE-CG 3.69Å; M77-I96 HydrophobicContact CE-CB 4.17Å; M77-I96 HydrophobicContact CE-CG2 4.2Å; M77-I96 HydrophobicContact CG-CG2 4.17Å; M77-I96 HydrophobicContact SD-CG2 4.22Å; M77-L97 HydrophobicContact CB-CB 4.35Å; M77-L97 HydrophobicContact CB-CD1 3.92Å; M77-L100 HydrophobicContact CB-CD1 4.47Å; M77-L100 HydrophobicContact CG-CD1 3.84Å; M77-V190 HydrophobicContact SD-CG1 3.65Å; M77-F193 HydrophobicContact SD-CE2 4.4Å
78Y88.2Confident89.2Confident30 Ų3045.9 Ų45.912%0.11821%0.213CC..Hα-helixtrans-62.5-45.4175.2-178.9-100.2000111.6V74 E75 R76 C81 T82 L97 A858 R862V74-Y78 WeakPolarHBondContact O-CB 3.42Å; V74-Y78 PolarHBondContact O-N 3.15Å; E75-Y78 WeakPolarHBondContact O-CB 3.4Å; E75-Y78 PolarHBondContact O-N 3.19Å; R76-Y78 VanDerWaalsContact C-N 3.25Å; R76-Y78 PolarHBondContact O-N 3.47Å; Y78-C81 WeakPolarHBondContact O-CB 3.46Å; Y78-C81 PolarHBondContact O-N 3.2Å; Y78-T82 HydrophobicContact CE1-CG2 4.23Å; Y78-T82 PolarHBondContact O-N 2.76Å; Y78-L97 HydrophobicContact CD2-CD2 4.17Å; Y78-A858 HydrophobicContact CD1-CB 4.19Å; Y78-A858 HydrophobicContact CE1-CB 3.81Å; Y78-A858 PolarHBondContact OH-O 3Å; Y78-R862 HydrophobicContact CE2-CG 4.49Å; Y78-R862 WeakPolarHBondContact OH-CB 3.46Å; Y78-R862 WeakPolarHBondContact OH-CD 3.19Å; Y78-R862 WeakPolarHBondContact OH-CG 3.4Å
79I87.5Confident89.2Confident32 Ų3245.6 Ų45.616%0.16421%0.212CC..Hα-helixtrans-63.5-40.9175.9-63.7166.8000111.2E75 R76 C81 T82 K83 L855 A858E75-I79 WeakPolarHBondContact O-CG1 3.45Å; E75-I79 PolarHBondContact O-N 2.96Å; R76-I79 PolarHBondContact O-N 3.45Å; I79-C81 VanDerWaalsContact C-N 3.35Å; I79-C81 PolarHBondContact O-N 2.92Å; I79-T82 PolarHBondContact O-N 3.43Å; I79-T82 PolarHBondContact O-OG1 3.28Å; I79-K83 HydrophobicContact CG2-CD 4.2Å; I79-K83 PolarHBondContact O-N 3.15Å; I79-L855 HydrophobicContact CD1-CD2 4.19Å; I79-A858 HydrophobicContact CG1-CB 4.36Å
80L88.4Confident89.3Confident31 Ų3147.1 Ų47.116%0.16221%0.214CC..Hα-helixtrans-63.9-40.4177-68.7172.6000111.8R76 M77 T82 K83 E84 Y93 F193 M342R76-L80 HydrophobicContact CG-CD1 4.49Å; R76-L80 WeakPolarHBondContact O-CG 3.42Å; R76-L80 PolarHBondContact O-N 3.35Å; M77-L80 PolarHBondContact O-N 3.34Å; M77-L80 HydrophobicContact SD-CD1 3.98Å; L80-T82 VanDerWaalsContact C-N 3.27Å; L80-T82 PolarHBondContact O-N 3.39Å; L80-K83 PolarHBondContact O-N 2.96Å; L80-E84 WeakPolarHBondContact O-CB 3.38Å; L80-E84 PolarHBondContact O-N 3.41Å; L80-Y93 HydrophobicContact CB-CD2 3.96Å; L80-Y93 HydrophobicContact CB-CE2 4.04Å; L80-F193 HydrophobicContact CD1-CD2 4.19Å; L80-F193 HydrophobicContact CD1-CE2 3.38Å; L80-F193 HydrophobicContact CD1-CZ 3.95Å; L80-M342 HydrophobicContact CD2-CE 4.3Å
81C88.1Confident89.1Confident14 Ų1450 Ų5010%0.09523%0.23CC..Hα-helixtrans-60.2-35.5176.3-69.80000113.1M77 Y78 I79 R90 Y93 F94M77-C81 PolarHBondContact O-N 3.02Å; M77-C81 PolarHBondContact O-SG 2.91Å; Y78-C81 WeakPolarHBondContact O-CB 3.46Å; Y78-C81 PolarHBondContact O-N 3.2Å; I79-C81 VanDerWaalsContact C-N 3.35Å; I79-C81 PolarHBondContact O-N 2.92Å; C81-R90 WeakPolarHBondContact O-CD 3.37Å; C81-R90 WeakPolarHBondContact O-CG 3.31Å; C81-Y93 WeakPolarHBondContact SG-CB 3.22Å; C81-F94 PolarHBondContact SG-N 3.29Å
82T85Confident89.1Confident70 Ų7051 Ų5143%0.42924%0.235SC..Hα-helixtrans-80.6-30.5-177.356.40000112.8Y78 I79 L80Y78-T82 HydrophobicContact CE1-CG2 4.23Å; Y78-T82 PolarHBondContact O-N 2.76Å; I79-T82 PolarHBondContact O-N 3.43Å; I79-T82 PolarHBondContact O-OG1 3.28Å; L80-T82 VanDerWaalsContact C-N 3.27Å; L80-T82 PolarHBondContact O-N 3.39Å
83K87.2Confident89.2Confident131 Ų13148.9 Ų48.957%0.5722%0.223SC*.Hα-helixtrans-84.7-22.3178.5-69-172174.6-1670114.2I79 L80 E85I79-K83 HydrophobicContact CG2-CD 4.2Å; I79-K83 PolarHBondContact O-N 3.15Å; L80-K83 PolarHBondContact O-N 2.96Å; K83-E85 PolarHBondContact O-N 2.73Å
84E89.9Confident89Confident24 Ų2452 Ų5211%0.11224%0.237CC..  trans-70.3123-174.8-175.160-106.400112.7L80 D86 T89 R90 Y93 Y163L80-E84 WeakPolarHBondContact O-CB 3.38Å; L80-E84 PolarHBondContact O-N 3.41Å; E84-D86 PolarHBondContact OE1-N 2.65Å; E84-D86 VanDerWaalsContact OE1-N 3.16Å; E84-T89 HydrophobicContact CG-CG2 3.93Å; E84-T89 WeakPolarHBondContact OE2-CG2 3.38Å; E84-R90 HydrophobicContact CB-CB 4.1Å; E84-R90 HydrophobicContact CG-CB 3.92Å; E84-Y93 HydrophobicContact CB-CD2 4.05Å; E84-Y93 HydrophobicContact CB-CE2 4.01Å; E84-Y93 HydrophobicContact CG-CD2 4.18Å; E84-Y93 HydrophobicContact CG-CE2 3.96Å; E84-Y93 VanDerWaalsContact OE2-CE2 3.25Å; E84-Y93 WeakPolarHBondContact OE2-CE2 3.38Å; E84-Y93 PolarHBondContact OE2-OH 2.85Å; E84-Y163 PolarHBondContact OE1-OH 2.89Å
85E87.6Confident88.9Confident183 Ų18355.6 Ų55.686%0.85526%0.261SS*.  trans-84.2-35.8179.6-61.6-170.7168.300111.8K83 Y87K83-E85 PolarHBondContact O-N 2.73Å; E85-Y87 PolarHBondContact O-N 3.38Å
86D87.9Confident89Confident17 Ų1754.4 Ų54.49%0.09126%0.256CS..  trans-72.3119.8-179.4179.169.7000111.1E84 E88 T89 R90 Y163 S165E84-D86 PolarHBondContact OE1-N 2.65Å; E84-D86 VanDerWaalsContact OE1-N 3.16Å; D86-E88 VanDerWaalsContact C-N 3.3Å; D86-E88 PolarHBondContact O-N 2.91Å; D86-E88 PolarHBondContact OD2-N 3.08Å; D86-T89 PolarHBondContact O-N 3.12Å; D86-T89 WeakPolarHBondContact OD2-CB 3.45Å; D86-T89 PolarHBondContact OD2-N 3.47Å; D86-T89 PolarHBondContact OD2-OG1 3.28Å; D86-R90 WeakPolarHBondContact O-CB 3.27Å; D86-R90 PolarHBondContact O-N 2.9Å; D86-Y163 HydrophobicContact CB-CD1 3.82Å; D86-Y163 HydrophobicContact CB-CD2 4.37Å; D86-Y163 HydrophobicContact CB-CE1 3.88Å; D86-Y163 HydrophobicContact CB-CE2 4.44Å; D86-Y163 HydrophobicContact CB-CG 4.08Å; D86-S165 WeakPolarHBondContact OD1-CB 3.44Å; D86-S165 PolarHBondContact OD1-OG 3.1Å
87Y86.9Confident89Confident113 Ų11349.5 Ų49.544%0.44324%0.237SC..Hα-helixtrans-60.3-37.8-175172.5-93.4000112.8E85 N91E85-Y87 PolarHBondContact O-N 3.38Å; Y87-N91 WeakPolarHBondContact CE1-ND2 3.36Å; Y87-N91 VanDerWaalsContact O-CG 3.3Å; Y87-N91 PolarHBondContact O-N 2.86Å; Y87-N91 VanDerWaalsContact O-N 3.17Å; Y87-N91 PolarHBondContact O-ND2 3.34Å; Y87-N91 PolarHBondContact OH-ND2 3.32Å
88E83.4Confident88.9Confident50 Ų5053.9 Ų53.923%0.23426%0.256CS..Hα-helixtrans-71.9-44.8-177.7-60.4-167163.400111D86 N91 I92 P164 K178D86-E88 VanDerWaalsContact C-N 3.3Å; D86-E88 PolarHBondContact O-N 2.91Å; D86-E88 PolarHBondContact OD2-N 3.08Å; E88-N91 WeakPolarHBondContact O-CB 3.02Å; E88-N91 PolarHBondContact O-N 3.24Å; E88-I92 WeakPolarHBondContact O-CG1 3.07Å; E88-I92 PolarHBondContact O-N 3.38Å; E88-I92 VanDerWaalsContact O-N 3.1Å; E88-P164 VanDerWaalsContact OE2-CB 3.23Å; E88-P164 WeakPolarHBondContact OE2-CB 3.25Å; E88-P164 WeakPolarHBondContact OE2-CG 3.21Å; E88-K178 WeakPolarHBondContact OE1-CE 3.4Å; E88-K178 IonicContact OE1-NZ 3.96Å; E88-K178 PolarHBondContact OE1-NZ 2.87Å; E88-K178 WeakPolarHBondContact OE2-CE 3.36Å; E88-K178 IonicContact OE2-NZ 3.96Å
89T91.4Very high89Confident0 Ų056.4 Ų56.40%027%0.265CS..Hα-helixtrans-62.8-44.9177.1-52.50000111.4E84 D86 N91 I92 Y93 Y163 Y181 I185E84-T89 HydrophobicContact CG-CG2 3.93Å; E84-T89 WeakPolarHBondContact OE2-CG2 3.38Å; D86-T89 PolarHBondContact O-N 3.12Å; D86-T89 WeakPolarHBondContact OD2-CB 3.45Å; D86-T89 PolarHBondContact OD2-N 3.47Å; D86-T89 PolarHBondContact OD2-OG1 3.28Å; T89-N91 VanDerWaalsContact C-N 3.29Å; T89-N91 PolarHBondContact O-N 2.8Å; T89-I92 WeakPolarHBondContact O-CB 3.32Å; T89-I92 PolarHBondContact O-N 2.9Å; T89-Y93 HydrophobicContact CG2-CD1 4.39Å; T89-Y93 HydrophobicContact CG2-CD2 4.35Å; T89-Y93 HydrophobicContact CG2-CE1 3.86Å; T89-Y93 HydrophobicContact CG2-CE2 3.8Å; T89-Y93 PolarHBondContact O-N 3.28Å; T89-Y163 HydrophobicContact CG2-CE1 4.19Å; T89-Y163 VanDerWaalsContact OG1-CD1 3.24Å; T89-Y163 WeakPolarHBondContact OG1-CD1 3.46Å; T89-Y163 VanDerWaalsContact OG1-CE1 3.28Å; T89-Y163 WeakPolarHBondContact OG1-CE1 3.28Å; T89-Y181 WeakPolarHBondContact OG1-CE1 3.46Å; T89-Y181 PolarHBondContact OG1-OH 3.34Å; T89-I185 HydrophobicContact CG2-CD1 4.37Å
90R90.2Very high89.2Confident100 Ų10054.9 Ų54.938%0.37726%0.258SS..Hα-helixtrans-59.1-39.8176.1-176.1173.658.6-162.3-9.4112.4C81 E84 D86 I92 Y93 F94C81-R90 WeakPolarHBondContact O-CD 3.37Å; C81-R90 WeakPolarHBondContact O-CG 3.31Å; E84-R90 HydrophobicContact CB-CB 4.1Å; E84-R90 HydrophobicContact CG-CB 3.92Å; D86-R90 WeakPolarHBondContact O-CB 3.27Å; D86-R90 PolarHBondContact O-N 2.9Å; R90-I92 VanDerWaalsContact C-N 3.34Å; R90-Y93 PolarHBondContact O-N 3.16Å; R90-F94 WeakPolarHBondContact O-CB 3.46Å; R90-F94 PolarHBondContact O-N 3.29Å
91N88.8Confident89.3Confident63 Ų6356 Ų5634%0.33726%0.26SS..Hα-helixtrans-63.8-40.3174.9-77.1-23.3000111.9Y87 E88 T89 F94 C95Y87-N91 WeakPolarHBondContact CE1-ND2 3.36Å; Y87-N91 VanDerWaalsContact O-CG 3.3Å; Y87-N91 PolarHBondContact O-N 2.86Å; Y87-N91 VanDerWaalsContact O-N 3.17Å; Y87-N91 PolarHBondContact O-ND2 3.34Å; Y87-N91 PolarHBondContact OH-ND2 3.32Å; E88-N91 WeakPolarHBondContact O-CB 3.02Å; E88-N91 PolarHBondContact O-N 3.24Å; T89-N91 VanDerWaalsContact C-N 3.29Å; T89-N91 PolarHBondContact O-N 2.8Å; N91-F94 PolarHBondContact O-N 3.46Å; N91-C95 PolarHBondContact O-N 3.47Å; N91-C95 PolarHBondContact O-SG 2.9Å; N91-C95 VanDerWaalsContact O-SG 3.37Å
92I91Very high89.4Confident21 Ų2161.8 Ų61.811%0.10828%0.283CS..Hα-helixtrans-65-47.4176.4-60.5161.8000110.1E88 T89 R90 F94 C95 I96 Y181 M182 I185E88-I92 WeakPolarHBondContact O-CG1 3.07Å; E88-I92 PolarHBondContact O-N 3.38Å; E88-I92 VanDerWaalsContact O-N 3.1Å; T89-I92 WeakPolarHBondContact O-CB 3.32Å; T89-I92 PolarHBondContact O-N 2.9Å; R90-I92 VanDerWaalsContact C-N 3.34Å; I92-F94 VanDerWaalsContact C-N 3.28Å; I92-F94 PolarHBondContact O-N 3.2Å; I92-C95 WeakPolarHBondContact O-CA 3.34Å; I92-C95 WeakPolarHBondContact O-CB 3.36Å; I92-C95 PolarHBondContact O-N 2.83Å; I92-I96 HydrophobicContact CG2-CD1 4.18Å; I92-I96 HydrophobicContact CG2-CG1 4.49Å; I92-I96 WeakPolarHBondContact O-CG1 3.11Å; I92-I96 PolarHBondContact O-N 2.98Å; I92-Y181 HydrophobicContact CD1-CD1 3.92Å; I92-Y181 HydrophobicContact CD1-CE1 4.03Å; I92-M182 HydrophobicContact CD1-CB 4.22Å; I92-M182 HydrophobicContact CD1-CG 4.28Å; I92-M182 HydrophobicContact CG1-CG 4.3Å; I92-I185 HydrophobicContact CB-CG2 4.24Å; I92-I185 HydrophobicContact CD1-CG1 4.43Å; I92-I185 HydrophobicContact CG2-CB 4.11Å; I92-I185 HydrophobicContact CG2-CG2 3.37Å
93Y93.7Very high89.7Confident8 Ų858.7 Ų58.73%0.03127%0.265CS..Hα-helixtrans-56.3-42.3175.3-68.8-13000112.3M77 L80 C81 E84 T89 R90 C95 I96 L97 I185 V190M77-Y93 HydrophobicContact CE-CD1 3.7Å; M77-Y93 HydrophobicContact CE-CG 3.69Å; L80-Y93 HydrophobicContact CB-CD2 3.96Å; L80-Y93 HydrophobicContact CB-CE2 4.04Å; C81-Y93 WeakPolarHBondContact SG-CB 3.22Å; E84-Y93 HydrophobicContact CB-CD2 4.05Å; E84-Y93 HydrophobicContact CB-CE2 4.01Å; E84-Y93 HydrophobicContact CG-CD2 4.18Å; E84-Y93 HydrophobicContact CG-CE2 3.96Å; E84-Y93 VanDerWaalsContact OE2-CE2 3.25Å; E84-Y93 WeakPolarHBondContact OE2-CE2 3.38Å; E84-Y93 PolarHBondContact OE2-OH 2.85Å; T89-Y93 HydrophobicContact CG2-CD1 4.39Å; T89-Y93 HydrophobicContact CG2-CD2 4.35Å; T89-Y93 HydrophobicContact CG2-CE1 3.86Å; T89-Y93 HydrophobicContact CG2-CE2 3.8Å; T89-Y93 PolarHBondContact O-N 3.28Å; R90-Y93 PolarHBondContact O-N 3.16Å; Y93-C95 VanDerWaalsContact C-N 3.33Å; Y93-C95 PolarHBondContact O-N 2.58Å; Y93-I96 PolarHBondContact O-N 3.36Å; Y93-L97 WeakPolarHBondContact O-CB 3.4Å; Y93-L97 PolarHBondContact O-N 3.43Å; Y93-I185 HydrophobicContact CD1-CG2 4.42Å; Y93-I185 HydrophobicContact CE1-CD1 4.5Å; Y93-I185 HydrophobicContact CE1-CG2 4.21Å; Y93-V190 HydrophobicContact CD1-CG2 4.22Å; Y93-V190 HydrophobicContact CE1-CG2 3.81Å
94F88.8Confident89.8Confident71 Ų7152.4 Ų52.431%0.31124%0.237SC..Hα-helixtrans-65.1-36.2176.5-174.6-112.5000112.7C81 R90 N91 I92 L97 K98 V833 F834C81-F94 PolarHBondContact SG-N 3.29Å; R90-F94 WeakPolarHBondContact O-CB 3.46Å; R90-F94 PolarHBondContact O-N 3.29Å; N91-F94 PolarHBondContact O-N 3.46Å; I92-F94 VanDerWaalsContact C-N 3.28Å; I92-F94 PolarHBondContact O-N 3.2Å; F94-L97 HydrophobicContact CD2-CD2 4.32Å; F94-K98 HydrophobicContact CD1-CD 4.23Å; F94-K98 HydrophobicContact CE1-CD 3.9Å; F94-K98 HydrophobicContact CZ-CD 4.27Å; F94-K98 WeakPolarHBondContact O-CG 3.32Å; F94-K98 PolarHBondContact O-N 2.87Å; F94-V833 HydrophobicContact CZ-CG2 4.37Å; F94-F834 HydrophobicContact CE2-CE2 4.36Å
95C89.5Confident89.7Confident77 Ų7754 Ų5452%0.5225%0.245SC..Hα-helixtrans-63.9-42172.1-75.20000112.2N91 I92 Y93 K98 R99N91-C95 PolarHBondContact O-N 3.47Å; N91-C95 PolarHBondContact O-SG 2.9Å; N91-C95 VanDerWaalsContact O-SG 3.37Å; I92-C95 WeakPolarHBondContact O-CA 3.34Å; I92-C95 WeakPolarHBondContact O-CB 3.36Å; I92-C95 PolarHBondContact O-N 2.83Å; Y93-C95 VanDerWaalsContact C-N 3.33Å; Y93-C95 PolarHBondContact O-N 2.58Å; C95-K98 PolarHBondContact O-N 2.96Å; C95-R99 PolarHBondContact O-N 3.26Å
96I92.1Very high89.7Confident1 Ų148.3 Ų48.31%0.00522%0.221CC..Hα-helixtrans-63.3-48.7175.9-63.7175.6000110.2M77 I92 Y93 K98 R99 L100 F112 I185 V190 L197M77-I96 HydrophobicContact CE-CB 4.17Å; M77-I96 HydrophobicContact CE-CG2 4.2Å; M77-I96 HydrophobicContact CG-CG2 4.17Å; M77-I96 HydrophobicContact SD-CG2 4.22Å; I92-I96 HydrophobicContact CG2-CD1 4.18Å; I92-I96 HydrophobicContact CG2-CG1 4.49Å; I92-I96 WeakPolarHBondContact O-CG1 3.11Å; I92-I96 PolarHBondContact O-N 2.98Å; Y93-I96 PolarHBondContact O-N 3.36Å; I96-K98 VanDerWaalsContact C-N 3.33Å; I96-K98 PolarHBondContact O-N 3.21Å; I96-R99 WeakPolarHBondContact O-CA 3.46Å; I96-R99 WeakPolarHBondContact O-CB 3.35Å; I96-R99 PolarHBondContact O-N 2.86Å; I96-L100 HydrophobicContact CG2-CD1 4.14Å; I96-L100 HydrophobicContact CG2-CG 4.37Å; I96-L100 WeakPolarHBondContact O-CG 3.46Å; I96-L100 PolarHBondContact O-N 3.47Å; I96-F112 HydrophobicContact CG1-CE1 4.29Å; I96-F112 HydrophobicContact CG1-CZ 3.96Å; I96-I185 HydrophobicContact CD1-CG2 4.14Å; I96-V190 HydrophobicContact CD1-CB 4.07Å; I96-V190 HydrophobicContact CD1-CG1 4Å; I96-V190 HydrophobicContact CD1-CG2 3.83Å; I96-V190 HydrophobicContact CG2-CG1 4.42Å; I96-L197 HydrophobicContact CG2-CD1 3.74Å
97L91.6Very high89.8Confident2 Ų249.9 Ų49.91%0.0123%0.227CC..Hα-helixtrans-53.7-47.8176.4-178.671000111.8V74 M77 Y78 Y93 F94 R99 L100 R101 F834V74-L97 HydrophobicContact CB-CD1 4.49Å; V74-L97 HydrophobicContact CG1-CD1 3.92Å; V74-L97 WeakPolarHBondContact O-CD1 3.44Å; M77-L97 HydrophobicContact CB-CB 4.35Å; M77-L97 HydrophobicContact CB-CD1 3.92Å; Y78-L97 HydrophobicContact CD2-CD2 4.17Å; Y93-L97 WeakPolarHBondContact O-CB 3.4Å; Y93-L97 PolarHBondContact O-N 3.43Å; F94-L97 HydrophobicContact CD2-CD2 4.32Å; L97-R99 VanDerWaalsContact C-N 3.32Å; L97-R99 PolarHBondContact O-N 3.37Å; L97-L100 PolarHBondContact O-N 3.07Å; L97-R101 WeakPolarHBondContact O-CG 3.35Å; L97-R101 PolarHBondContact O-N 2.89Å; L97-R101 VanDerWaalsContact O-N 3.09Å; L97-F834 HydrophobicContact CD2-CE1 4.49Å; L97-F834 HydrophobicContact CD2-CE2 3.75Å; L97-F834 HydrophobicContact CD2-CZ 3.51Å; L97-F834 HydrophobicContact CG-CZ 3.91Å
98K89.4Confident89.9Confident93 Ų9348 Ų4840%0.40423%0.227SC..Hα-helixtrans-61.4-38.9175.8-80.2-177.5168.2178.50112.6F94 C95 I96 K102F94-K98 HydrophobicContact CD1-CD 4.23Å; F94-K98 HydrophobicContact CE1-CD 3.9Å; F94-K98 HydrophobicContact CZ-CD 4.27Å; F94-K98 WeakPolarHBondContact O-CG 3.32Å; F94-K98 PolarHBondContact O-N 2.87Å; C95-K98 PolarHBondContact O-N 2.96Å; I96-K98 VanDerWaalsContact C-N 3.33Å; I96-K98 PolarHBondContact O-N 3.21Å; K98-K102 WeakPolarHBondContact O-CB 3.38Å; K98-K102 PolarHBondContact O-N 2.92Å
99R90.8Very high90.2Very high83 Ų8350.2 Ų50.231%0.31324%0.237SC..Hα-helixtrans-66.2-46.1178.9-172.371.866.3132-6.6110.9C95 I96 L97 K102 A103 P110 V111 D113C95-R99 PolarHBondContact O-N 3.26Å; I96-R99 WeakPolarHBondContact O-CA 3.46Å; I96-R99 WeakPolarHBondContact O-CB 3.35Å; I96-R99 PolarHBondContact O-N 2.86Å; L97-R99 VanDerWaalsContact C-N 3.32Å; L97-R99 PolarHBondContact O-N 3.37Å; R99-K102 PolarHBondContact O-N 2.88Å; R99-A103 WeakPolarHBondContact O-CB 2.96Å; R99-A103 PolarHBondContact O-N 2.85Å; R99-P110 HydrophobicContact CG-CB 4.35Å; R99-V111 PolarHBondContact NH1-O 2.99Å; R99-D113 IonicContact CZ-OD1 3.82Å; R99-D113 IonicContact NH1-OD1 3.82Å; R99-D113 PolarHBondContact NH1-OD1 3.47Å; R99-D113 IonicContact NH2-OD1 2.6Å; R99-D113 IonicContact NH2-OD2 3.35Å
100L92.5Very high90.1Very high0 Ų050.4 Ų50.40%024%0.238CC..Hα-helixtrans-59.8-46.5176.8-68.1172.3000111.9D73 V74 M77 I96 L97 K102 A103 L104 P110 A196 L197D73-L100 HydrophobicContact CB-CD1 4.11Å; V74-L100 HydrophobicContact CG2-CB 3.53Å; V74-L100 HydrophobicContact CG2-CD1 4.27Å; M77-L100 HydrophobicContact CB-CD1 4.47Å; M77-L100 HydrophobicContact CG-CD1 3.84Å; I96-L100 HydrophobicContact CG2-CD1 4.14Å; I96-L100 HydrophobicContact CG2-CG 4.37Å; I96-L100 WeakPolarHBondContact O-CG 3.46Å; I96-L100 PolarHBondContact O-N 3.47Å; L97-L100 PolarHBondContact O-N 3.07Å; L100-K102 PolarHBondContact O-N 3.22Å; L100-A103 WeakPolarHBondContact O-CB 3.25Å; L100-A103 PolarHBondContact O-N 3.04Å; L100-A103 VanDerWaalsContact O-N 3.17Å; L100-L104 PolarHBondContact O-N 3.12Å; L100-P110 HydrophobicContact CD2-CB 3.97Å; L100-P110 HydrophobicContact CD2-CG 3.76Å; L100-A196 HydrophobicContact CD2-CB 3.95Å; L100-L197 HydrophobicContact CD2-CD2 4.02Å; L100-L197 HydrophobicContact CD2-CG 4.35Å
101R89.6Confident89.8Confident54 Ų5448.4 Ų48.420%0.20424%0.237CC..Hα-helixtrans-60.7-45.2175.6-70.2-174.394.9-171.9-138.6112.6V74 L97 A103 L104 M105 V833V74-R101 HydrophobicContact CG1-CG 4.16Å; V74-R101 HydrophobicContact CG2-CG 4.23Å; L97-R101 WeakPolarHBondContact O-CG 3.35Å; L97-R101 PolarHBondContact O-N 2.89Å; L97-R101 VanDerWaalsContact O-N 3.09Å; R101-A103 PolarHBondContact O-N 3.42Å; R101-L104 PolarHBondContact O-N 2.93Å; R101-M105 VanDerWaalsContact O-CG 3.3Å; R101-M105 WeakPolarHBondContact O-CG 3.47Å; R101-M105 PolarHBondContact O-N 3.23Å; R101-V833 PolarHBondContact NH2-O 2.87Å; R101-V833 VanDerWaalsContact NH2-O 3.1Å
102K89.2Confident89.6Confident137 Ų13746.5 Ų46.560%0.59623%0.226SC*.Hα-helixtrans-62.6-33.9177.8-173.5177.5179.5-176.50111.5K98 R99 L100 N106K98-K102 WeakPolarHBondContact O-CB 3.38Å; K98-K102 PolarHBondContact O-N 2.92Å; R99-K102 PolarHBondContact O-N 2.88Å; L100-K102 PolarHBondContact O-N 3.22Å; K102-N106 WeakPolarHBondContact CG-ND2 3.5Å; K102-N106 WeakPolarHBondContact O-CB 3.17Å; K102-N106 PolarHBondContact O-N 3Å; K102-N106 PolarHBondContact O-ND2 3.02Å
103A91.6Very high88.9Confident4 Ų451.5 Ų51.53%0.03325%0.253CS..Hα-helixtrans-68.3-46.7177.100000111.2M70 R99 L100 R101 M105 N106 K107 V108 P110M70-A103 HydrophobicContact CE-CB 3.4Å; M70-A103 VanDerWaalsContact CE-CB 3.4Å; R99-A103 WeakPolarHBondContact O-CB 2.96Å; R99-A103 PolarHBondContact O-N 2.85Å; L100-A103 WeakPolarHBondContact O-CB 3.25Å; L100-A103 PolarHBondContact O-N 3.04Å; L100-A103 VanDerWaalsContact O-N 3.17Å; R101-A103 PolarHBondContact O-N 3.42Å; A103-M105 PolarHBondContact O-N 3.3Å; A103-N106 PolarHBondContact O-N 2.72Å; A103-K107 PolarHBondContact O-N 3.48Å; A103-K107 VanDerWaalsContact O-N 3.11Å; A103-V108 CarbonylContact C-O 3.57Å; A103-V108 HydrophobicContact CB-CG2 4.29Å; A103-V108 VanDerWaalsContact CB-O 3.3Å; A103-V108 WeakPolarHBondContact CB-O 3.43Å; A103-V108 PolarHBondContact O-N 3.28Å; A103-P110 HydrophobicContact CB-CB 3.82Å; A103-P110 HydrophobicContact CB-CG 4.48Å
104L90.8Very high88.2Confident0 Ų054.5 Ų54.50%027%0.27CS..Hα-helixtrans-54.8-52.2170.6-76.8171.8000111.9Y13 Y16 A67 M70 V71 V74 L100 R101 N106 K107Y13-L104 HydrophobicContact CD2-CD2 4.27Å; Y13-L104 HydrophobicContact CE2-CD2 4.13Å; Y16-L104 HydrophobicContact CD1-CD1 4.18Å; Y16-L104 HydrophobicContact CD2-CD1 4.3Å; Y16-L104 HydrophobicContact CG-CD1 3.82Å; A67-L104 HydrophobicContact CB-CD2 4.04Å; M70-L104 HydrophobicContact CB-CD1 4.44Å; M70-L104 HydrophobicContact CB-CD2 3.6Å; M70-L104 HydrophobicContact CB-CG 4.01Å; M70-L104 HydrophobicContact CE-CD2 4.14Å; M70-L104 HydrophobicContact CE-CG 3.99Å; M70-L104 HydrophobicContact SD-CD2 4.22Å; V71-L104 HydrophobicContact CG2-CD1 3.98Å; V71-L104 HydrophobicContact CG2-CD2 4.18Å; V74-L104 HydrophobicContact CG2-CD1 3.9Å; L100-L104 PolarHBondContact O-N 3.12Å; R101-L104 PolarHBondContact O-N 2.93Å; L104-N106 PolarHBondContact O-N 2.95Å; L104-K107 PolarHBondContact O-N 2.93Å
105M87.7Confident88Confident57 Ų5757.5 Ų57.528%0.28128%0.283SS..Hα-helixtrans-60.1-29.7-177.9-73.4176.870.500113.9Y16 K18 R101 A103Y16-M105 WeakPolarHBondContact O-CA 3.1Å; Y16-M105 WeakPolarHBondContact O-CG 3.24Å; Y16-M105 PolarHBondContact O-N 3.15Å; K18-M105 VanDerWaalsContact CD-O 3.27Å; K18-M105 WeakPolarHBondContact CD-O 3.48Å; K18-M105 WeakPolarHBondContact CE-O 3.31Å; K18-M105 WeakPolarHBondContact CG-O 3.23Å; R101-M105 VanDerWaalsContact O-CG 3.3Å; R101-M105 WeakPolarHBondContact O-CG 3.47Å; R101-M105 PolarHBondContact O-N 3.23Å; A103-M105 PolarHBondContact O-N 3.3Å
106N87.3Confident87.9Confident63 Ų6355.5 Ų55.534%0.33727%0.268SS..THydrogen-bonded Turntrans-104.57.5-176.3-67-58.7000113.3K18 K102 A103 L104 V108K18-N106 PolarHBondContact NZ-OD1 2.83Å; K102-N106 WeakPolarHBondContact CG-ND2 3.5Å; K102-N106 WeakPolarHBondContact O-CB 3.17Å; K102-N106 PolarHBondContact O-N 3Å; K102-N106 PolarHBondContact O-ND2 3.02Å; A103-N106 PolarHBondContact O-N 2.72Å; L104-N106 PolarHBondContact O-N 2.95Å; N106-V108 VanDerWaalsContact C-N 3.3Å; N106-V108 HydrophobicContact CB-CG2 4.1Å; N106-V108 PolarHBondContact O-N 3.09Å
107K88.7Confident87.8Confident50 Ų5058 Ų5822%0.21729%0.285CS..THydrogen-bonded Turntrans52.145-175.7-61.4-178.9171.3171.70113.2E20 E60 W63 A103 L104E20-K107 WeakPolarHBondContact OE1-CE 3.44Å; E20-K107 IonicContact OE1-NZ 3.62Å; E20-K107 PolarHBondContact OE1-NZ 3.08Å; E20-K107 IonicContact OE2-NZ 3.87Å; E60-K107 IonicContact OE1-NZ 2.73Å; E60-K107 PolarHBondContact OE1-NZ 3.01Å; E60-K107 IonicContact OE2-NZ 3.21Å; E60-K107 PolarHBondContact OE2-NZ 3.4Å; W63-K107 HydrophobicContact CD2-CB 4.42Å; W63-K107 HydrophobicContact CH2-CB 4.47Å; W63-K107 HydrophobicContact CZ2-CB 3.99Å; W63-K107 HydrophobicContact CZ2-CG 4.34Å; A103-K107 PolarHBondContact O-N 3.48Å; A103-K107 VanDerWaalsContact O-N 3.11Å; L104-K107 PolarHBondContact O-N 2.93Å
108V90.4Very high87.5Confident73 Ų7358.4 Ų58.444%0.44229%0.287SS..  trans-128.8158.2179.6-64.10000111.8A103 N106A103-V108 CarbonylContact C-O 3.57Å; A103-V108 HydrophobicContact CB-CG2 4.29Å; A103-V108 VanDerWaalsContact CB-O 3.3Å; A103-V108 WeakPolarHBondContact CB-O 3.43Å; A103-V108 PolarHBondContact O-N 3.28Å; N106-V108 VanDerWaalsContact C-N 3.3Å; N106-V108 HydrophobicContact CB-CG2 4.1Å; N106-V108 PolarHBondContact O-N 3.09Å
109Q88.7Confident87.2Confident98 Ų9855.7 Ų55.746%0.45828%0.275SS..  trans-72.5141.6170.9-68.7-63-26.700111.1V111Q109-V111 PolarHBondContact O-N 2.9Å
110P90.2Very high86.7Confident3 Ų361.2 Ų61.22%0.01930%0.296CS..  trans-73.7119.8178.631.6-33.3000109.8M70 R99 L100 A103 A196 L197M70-P110 HydrophobicContact CE-CG 4.36Å; R99-P110 HydrophobicContact CG-CB 4.35Å; L100-P110 HydrophobicContact CD2-CB 3.97Å; L100-P110 HydrophobicContact CD2-CG 3.76Å; A103-P110 HydrophobicContact CB-CB 3.82Å; A103-P110 HydrophobicContact CB-CG 4.48Å; P110-A196 HydrophobicContact CG-CB 4.03Å; P110-A196 WeakPolarHBondContact CG-O 3.29Å; P110-L197 HydrophobicContact CB-CD2 3.93Å; P110-L197 HydrophobicContact CG-CD2 3.91Å
111V83.8Confident86.4Confident59 Ų5962 Ų6236%0.35830%0.301SS..  trans-125.8138.6179.6177.50000109.1R99 Q109R99-V111 PolarHBondContact NH1-O 2.99Å; Q109-V111 PolarHBondContact O-N 2.9Å
112F84.6Confident86.4Confident22 Ų2260.8 Ų60.810%0.09630%0.299CS..  trans-87.9147.5167.9-61.2-71.1000110.8I96 C186 H187 L197I96-F112 HydrophobicContact CG1-CE1 4.29Å; I96-F112 HydrophobicContact CG1-CZ 3.96Å; F112-C186 HydrophobicContact CD2-CB 4.11Å; F112-C186 HydrophobicContact CE1-CB 4.32Å; F112-C186 HydrophobicContact CE2-CB 3.84Å; F112-C186 VanDerWaalsContact CE2-O 3.29Å; F112-C186 WeakPolarHBondContact CE2-O 3.42Å; F112-C186 HydrophobicContact CG-CB 4.47Å; F112-C186 HydrophobicContact CZ-CB 3.97Å; F112-H187 AromaticContact CD2-CE1 3.77Å; F112-H187 AromaticContact CD2-NE2 3.87Å; F112-L197 HydrophobicContact CE2-CD1 4.25Å; F112-L197 HydrophobicContact CE2-CD2 3.85Å; F112-L197 HydrophobicContact CZ-CD1 4.29Å; F112-L197 HydrophobicContact CZ-CD2 3.98Å
113D75.3Confident86.5Confident127 Ų12754.2 Ų54.268%0.67927%0.27SS*.SBendtrans-74.3-34.8-172.3-49.9-22.6000111.5R99R99-D113 IonicContact CZ-OD1 3.82Å; R99-D113 IonicContact NH1-OD1 3.82Å; R99-D113 PolarHBondContact NH1-OD1 3.47Å; R99-D113 IonicContact NH2-OD1 2.6Å; R99-D113 IonicContact NH2-OD2 3.35Å
114D78.7Confident86.4Confident70 Ų7054.3 Ų54.337%0.37427%0.27SS..SBendtrans-92.4114.8174.7-169.915.8000108.6R183 H187D114-R183 IonicContact OD1-NH2 3.63Å; D114-R183 IonicContact OD2-CZ 2.78Å; D114-R183 IonicContact OD2-NE 2.64Å; D114-R183 PolarHBondContact OD2-NE 3.34Å; D114-R183 IonicContact OD2-NH2 3.39Å; D114-R183 PolarHBondContact OD2-NH2 3.04Å; D114-H187 PolarHBondContact O-CE1 3.08Å; D114-H187 PolarHBondContact O-NE2 3.33Å
115K85.9Confident86.2Confident135 Ų13556.7 Ų56.759%0.58729%0.285SS*.  trans-114144.6-171.3-65.4-178.3-178.4-178.60110.9
116P88Confident86.3Confident34 Ų3454 Ų5422%0.22127%0.271CS..SBendtrans-66.4157172.327.8-33.4000111.7F118 T200 A205P116-F118 HydrophobicContact CB-CD2 4.34Å; P116-F118 HydrophobicContact CB-CE1 4.43Å; P116-F118 HydrophobicContact CB-CE2 3.96Å; P116-F118 HydrophobicContact CB-CZ 4Å; P116-F118 HydrophobicContact CG-CZ 4.36Å; P116-T200 HydrophobicContact CB-CG2 4.13Å; P116-T200 HydrophobicContact CG-CG2 3.96Å; P116-T200 WeakPolarHBondContact CG-OG1 3.49Å; P116-A205 HydrophobicContact CB-CB 3.8Å
117P89.2Confident86.5Confident53 Ų5351 Ų5134%0.34426%0.256SS..  cis-75.4138.40.230.8-33.9000112R120P117-R120 HydrophobicContact CG-CG 4.36Å
118F85.6Confident86.3Confident12 Ų1252.2 Ų52.25%0.05326%0.259CS..  trans-82.1-26.4180-56.3-58.8000112.2P116 R183 H187 A205 F206 F558P116-F118 HydrophobicContact CB-CD2 4.34Å; P116-F118 HydrophobicContact CB-CE1 4.43Å; P116-F118 HydrophobicContact CB-CE2 3.96Å; P116-F118 HydrophobicContact CB-CZ 4Å; P116-F118 HydrophobicContact CG-CZ 4.36Å; F118-R183 HydrophobicContact CD1-CG 4.28Å; F118-R183 HydrophobicContact CD2-CB 4.21Å; F118-R183 HydrophobicContact CD2-CG 4.5Å; F118-R183 HydrophobicContact CE1-CB 4.44Å; F118-R183 HydrophobicContact CE1-CG 3.99Å; F118-R183 HydrophobicContact CE2-CB 3.8Å; F118-R183 HydrophobicContact CE2-CG 4.23Å; F118-R183 HydrophobicContact CZ-CB 3.94Å; F118-R183 HydrophobicContact CZ-CG 3.98Å; F118-H187 HydrophobicContact CE2-CB 4.39Å; F118-H187 HydrophobicContact CZ-CB 4.27Å; F118-H187 AromaticContact CZ-CD2 3.5Å; F118-H187 AromaticContact CZ-CG 3.76Å; F118-H187 AromaticContact CZ-NE2 3.88Å; F118-A205 WeakPolarHBondContact CB-O 3.32Å; F118-A205 HydrophobicContact CD2-CB 4.07Å; F118-A205 WeakPolarHBondContact CD2-O 3.38Å; F118-A205 HydrophobicContact CE2-CB 3.98Å; F118-A205 PolarHBondContact N-O 2.9Å; F118-F206 HydrophobicContact CB-CD1 4.36Å; F118-F206 AromaticContact CD2-CD1 3.78Å; F118-F206 HydrophobicContact CD2-CD1 3.78Å; F118-F206 HydrophobicContact CD2-CD2 4.44Å; F118-F206 AromaticContact CD2-CE1 3.49Å; F118-F206 HydrophobicContact CD2-CE1 3.49Å; F118-F206 VanDerWaalsContact CD2-CE1 3.49Å; F118-F206 HydrophobicContact CD2-CE2 4.18Å; F118-F206 HydrophobicContact CD2-CG 4.25Å; F118-F206 AromaticContact CD2-CZ 3.71Å; F118-F206 HydrophobicContact CD2-CZ 3.71Å; F118-F206 HydrophobicContact CE2-CE1 4.06Å; F118-F206 HydrophobicContact CE2-CE2 4.22Å; F118-F206 AromaticContact CE2-CZ 3.81Å; F118-F206 HydrophobicContact CE2-CZ 3.81Å; F118-F206 HydrophobicContact CG-CE1 4.32Å; F118-F558 HydrophobicContact CB-CZ 4.13Å; F118-F558 VanDerWaalsContact O-CE1 3.29Å; F118-F558 WeakPolarHBondContact O-CE1 3.41Å; F118-F558 VanDerWaalsContact O-CE2 3.26Å; F118-F558 WeakPolarHBondContact O-CE2 3.22Å; F118-F558 WeakPolarHBondContact O-CZ 3.39Å
119E81.9Confident86.2Confident36 Ų3649.1 Ų49.117%0.16824%0.24CC..SBendtrans-143.2147.2-179.6-175.7173.2-164.900109.4G207 K208 N209E119-G207 WeakPolarHBondContact OE2-CA 3.44Å; E119-G207 PolarHBondContact OE2-N 3Å; E119-K208 PolarHBondContact OE1-N 2.89Å; E119-K208 PolarHBondContact OE2-N 3.35Å; E119-N209 PolarHBondContact OE1-N 3.31Å; E119-N209 PolarHBondContact OE1-ND2 2.67Å; E119-N209 WeakPolarHBondContact OE2-CB 3.39Å; E119-N209 PolarHBondContact OE2-N 2.83Å
120R81.3Confident86.1Confident198 Ų19844.5 Ų44.575%0.74722%0.218SC*.SBendtrans-133.5139174.4-70.7-167.1177.3-145.9-1.7110P117P117-R120 HydrophobicContact CG-CG 4.36Å
121P85.3Confident85.9Confident16 Ų1644.5 Ų44.510%0.10422%0.218CC..SBendcis-61.5147-6.4-22.236.2000112.5T125 G207 W265 P267P121-T125 HydrophobicContact CB-CG2 3.92Å; P121-G207 WeakPolarHBondContact O-CA 3.4Å; P121-W265 WeakPolarHBondContact CD-O 3.26Å; P121-W265 WeakPolarHBondContact CG-O 3.11Å; P121-P267 HydrophobicContact CG-CG 4.24Å
122D89.5Confident85.7Confident29 Ų2942.3 Ų42.316%0.15520%0.204CC..BIsolated β-bridgetrans-76.8168.9173.559.535.3000110.4N124 T125 A126 F206D122-N124 VanDerWaalsContact C-N 3.27Å; D122-N124 PolarHBondContact O-N 3.27Å; D122-N124 WeakPolarHBondContact OD1-CB 3.44Å; D122-N124 PolarHBondContact OD1-N 3.32Å; D122-T125 PolarHBondContact O-N 2.95Å; D122-T125 VanDerWaalsContact OD1-CB 3.27Å; D122-T125 WeakPolarHBondContact OD1-CB 3.39Å; D122-T125 PolarHBondContact OD1-N 2.75Å; D122-T125 PolarHBondContact OD1-OG1 3.42Å; D122-A126 PolarHBondContact O-N 2.69Å; D122-F206 CarbonylContact C-O 3.52Å; D122-F206 WeakPolarHBondContact CA-O 3.48Å
123I91.9Very high85.6Confident0 Ų043.1 Ų43.10%021%0.208CC..Hα-helixtrans-62.1-37.6-177.7-65.2157.3000110.9T125 A126 V127 L153 V156 T203 F206 F210 L211 W265I123-T125 VanDerWaalsContact C-N 3.32Å; I123-T125 PolarHBondContact O-N 3.37Å; I123-A126 PolarHBondContact O-N 3.42Å; I123-V127 HydrophobicContact CG2-CG2 4.09Å; I123-V127 WeakPolarHBondContact O-CB 3.31Å; I123-V127 VanDerWaalsContact O-CG2 3.28Å; I123-V127 WeakPolarHBondContact O-CG2 3.34Å; I123-V127 PolarHBondContact O-N 2.92Å; I123-L153 HydrophobicContact CG2-CD2 4.09Å; I123-V156 HydrophobicContact CD1-CG1 4.34Å; I123-T203 HydrophobicContact CB-CG2 4.36Å; I123-T203 HydrophobicContact CG2-CG2 3.99Å; I123-T203 PolarHBondContact N-O 2.8Å; I123-F206 HydrophobicContact CD1-CB 4.23Å; I123-F206 WeakPolarHBondContact CG1-O 3.41Å; I123-F206 PolarHBondContact N-O 2.89Å; I123-F210 HydrophobicContact CD1-CD1 3.68Å; I123-F210 HydrophobicContact CD1-CE1 4.34Å; I123-L211 HydrophobicContact CD1-CB 4.14Å; I123-L211 HydrophobicContact CD1-CD1 4.15Å; I123-L211 HydrophobicContact CG1-CB 4.12Å; I123-L211 HydrophobicContact CG1-CD1 4.35Å; I123-L211 HydrophobicContact CG2-CD1 4.22Å; I123-L211 HydrophobicContact CG2-CD2 4.46Å; I123-W265 HydrophobicContact CG1-CH2 4.11Å
124N89.8Confident85.8Confident6 Ų637.4 Ų37.43%0.03218%0.178CC..Hα-helixtrans-57.8-45.3175.2-87-15.9000111.9D122 V127 R128 L153 T203 C204 V294D122-N124 VanDerWaalsContact C-N 3.27Å; D122-N124 PolarHBondContact O-N 3.27Å; D122-N124 WeakPolarHBondContact OD1-CB 3.44Å; D122-N124 PolarHBondContact OD1-N 3.32Å; N124-V127 PolarHBondContact O-N 3.21Å; N124-R128 WeakPolarHBondContact O-CB 3.32Å; N124-R128 PolarHBondContact O-N 3.16Å; N124-L153 VanDerWaalsContact OD1-CD2 3.31Å; N124-L153 WeakPolarHBondContact OD1-CD2 3.43Å; N124-T203 PolarHBondContact N-O 2.64Å; N124-T203 VanDerWaalsContact N-O 3.15Å; N124-T203 PolarHBondContact ND2-OG1 3.41Å; N124-T203 WeakPolarHBondContact OD1-CB 3.36Å; N124-T203 PolarHBondContact OD1-OG1 2.49Å; N124-T203 VanDerWaalsContact OD1-OG1 3.11Å; N124-C204 PolarHBondContact ND2-SG 3.14Å; N124-V294 HydrophobicContact CB-CG1 3.95Å
125T87.2Confident85.6Confident50 Ų5034.5 Ų34.531%0.30716%0.164SC..Hα-helixtrans-65.5-44.4178.2-54.60000111P121 D122 I123 R128 N129P121-T125 HydrophobicContact CB-CG2 3.92Å; D122-T125 PolarHBondContact O-N 2.95Å; D122-T125 VanDerWaalsContact OD1-CB 3.27Å; D122-T125 WeakPolarHBondContact OD1-CB 3.39Å; D122-T125 PolarHBondContact OD1-N 2.75Å; D122-T125 PolarHBondContact OD1-OG1 3.42Å; I123-T125 VanDerWaalsContact C-N 3.32Å; I123-T125 PolarHBondContact O-N 3.37Å; T125-R128 WeakPolarHBondContact O-CB 3.39Å; T125-R128 PolarHBondContact O-N 3.31Å; T125-N129 PolarHBondContact O-N 3.16Å; T125-N129 PolarHBondContact O-OD1 3.47Å
126A90Very high85Confident0 Ų028.9 Ų28.90%014%0.14CC..Hα-helixtrans-64.9-40.1177.800000112.6D122 I123 N129 A130 L253 V264 W265D122-A126 PolarHBondContact O-N 2.69Å; I123-A126 PolarHBondContact O-N 3.42Å; A126-N129 PolarHBondContact O-N 2.71Å; A126-A130 WeakPolarHBondContact O-CB 3.23Å; A126-A130 PolarHBondContact O-N 2.73Å; A126-L253 HydrophobicContact CB-CD2 4.1Å; A126-V264 HydrophobicContact CB-CG2 4.48Å; A126-W265 HydrophobicContact CB-CD2 3.81Å; A126-W265 HydrophobicContact CB-CE3 3.55Å; A126-W265 HydrophobicContact CB-CH2 3.52Å; A126-W265 HydrophobicContact CB-CZ2 3.78Å; A126-W265 HydrophobicContact CB-CZ3 3.39Å
127V90Very high84.3Confident1 Ų129 Ų291%0.00614%0.14CC..Hα-helixtrans-66.7-38.9175170.60000111.1I123 N124 A130 L131 C149 F152 L153 L253I123-V127 HydrophobicContact CG2-CG2 4.09Å; I123-V127 WeakPolarHBondContact O-CB 3.31Å; I123-V127 VanDerWaalsContact O-CG2 3.28Å; I123-V127 WeakPolarHBondContact O-CG2 3.34Å; I123-V127 PolarHBondContact O-N 2.92Å; N124-V127 PolarHBondContact O-N 3.21Å; V127-A130 PolarHBondContact O-N 3Å; V127-L131 WeakPolarHBondContact O-CB 3.5Å; V127-L131 PolarHBondContact O-N 3.28Å; V127-C149 HydrophobicContact CG1-CB 3.78Å; V127-F152 HydrophobicContact CG2-CD1 3.95Å; V127-F152 HydrophobicContact CG2-CE1 3.94Å; V127-L153 HydrophobicContact CB-CD2 3.98Å; V127-L153 HydrophobicContact CB-CG 4.41Å; V127-L153 HydrophobicContact CG1-CD1 4.04Å; V127-L153 HydrophobicContact CG1-CD2 4.16Å; V127-L153 HydrophobicContact CG1-CG 4.03Å; V127-L153 HydrophobicContact CG2-CD2 3.73Å; V127-L153 HydrophobicContact CG2-CG 4.42Å; V127-L253 HydrophobicContact CG2-CD1 3.98Å; V127-L253 HydrophobicContact CG2-CD2 3.96Å
128R86Confident83.3Confident74 Ų7429.6 Ų29.628%0.27914%0.14SC..Hα-helixtrans-60.5-43.9171.6173.2176.9168.5-83.11.4111.8N124 T125 L131 L132 I290 V294N124-R128 WeakPolarHBondContact O-CB 3.32Å; N124-R128 PolarHBondContact O-N 3.16Å; T125-R128 WeakPolarHBondContact O-CB 3.39Å; T125-R128 PolarHBondContact O-N 3.31Å; R128-L131 PolarHBondContact O-N 3.17Å; R128-L132 HydrophobicContact CG-CD1 4.5Å; R128-L132 WeakPolarHBondContact O-CG 3.43Å; R128-L132 PolarHBondContact O-N 2.78Å; R128-I290 HydrophobicContact CG-CG2 3.69Å; R128-V294 HydrophobicContact CB-CG2 4.15Å
129N86.6Confident82.5Confident9 Ų933.4 Ų33.45%0.04817%0.166CC..Hα-helixtrans-64.9-41.2177-68.2-10.4000111.3T125 A126 L132 F133 V264 F269T125-N129 PolarHBondContact O-N 3.16Å; T125-N129 PolarHBondContact O-OD1 3.47Å; A126-N129 PolarHBondContact O-N 2.71Å; N129-L132 PolarHBondContact O-N 3.13Å; N129-F133 WeakPolarHBondContact O-CB 3.41Å; N129-F133 PolarHBondContact O-N 2.69Å; N129-V264 HydrophobicContact CB-CB 3.9Å; N129-V264 HydrophobicContact CB-CG1 4.24Å; N129-V264 PolarHBondContact ND2-O 2.88Å; N129-F269 HydrophobicContact CB-CD1 3.67Å; N129-F269 HydrophobicContact CB-CD2 4.41Å; N129-F269 HydrophobicContact CB-CE1 3.8Å; N129-F269 HydrophobicContact CB-CG 3.99Å; N129-F269 HydrophobicContact CB-CZ 4.22Å; N129-F269 VanDerWaalsContact CG-CD1 3.49Å
130A87.3Confident81.7Confident0 Ų039.2 Ų39.20%019%0.193CC..Hα-helixtrans-63.7-40.2174.400000112.3A126 V127 F133 C134 L249 L252 L253 V264A126-A130 WeakPolarHBondContact O-CB 3.23Å; A126-A130 PolarHBondContact O-N 2.73Å; V127-A130 PolarHBondContact O-N 3Å; A130-F133 PolarHBondContact O-N 2.99Å; A130-C134 WeakPolarHBondContact O-CB 3.43Å; A130-C134 PolarHBondContact O-N 2.88Å; A130-C134 PolarHBondContact O-SG 3.16Å; A130-C134 VanDerWaalsContact O-SG 3.35Å; A130-L249 HydrophobicContact CB-CD1 3.8Å; A130-L252 HydrophobicContact CB-CB 4.47Å; A130-L253 HydrophobicContact CB-CD2 4.33Å; A130-V264 HydrophobicContact CB-CG1 4.01Å
131L85.3Confident81Confident3 Ų334.1 Ų34.12%0.01618%0.181CC..Hα-helixtrans-61.2-46.7174.5176.263.1000111.3V127 R128 F133 C134 A135 T145 I146 I290 V293V127-L131 WeakPolarHBondContact O-CB 3.5Å; V127-L131 PolarHBondContact O-N 3.28Å; R128-L131 PolarHBondContact O-N 3.17Å; L131-F133 VanDerWaalsContact C-N 3.32Å; L131-F133 PolarHBondContact O-N 2.86Å; L131-C134 PolarHBondContact O-N 2.88Å; L131-A135 WeakPolarHBondContact O-CB 3.48Å; L131-A135 PolarHBondContact O-N 3.47Å; L131-T145 HydrophobicContact CD1-CG2 3.68Å; L131-I146 HydrophobicContact CD1-CG1 3.91Å; L131-I146 HydrophobicContact CD2-CG1 4.19Å; L131-I290 HydrophobicContact CD2-CG1 4.19Å; L131-V293 HydrophobicContact CD2-CG2 4.09Å
132L80.2Confident80.3Confident13 Ų1334.9 Ų34.97%0.06819%0.186CC..Hα-helixtrans-58.9-44.1175.4-74.8168.4000111.5R128 N129 L136 F269 L285 I290R128-L132 HydrophobicContact CG-CD1 4.5Å; R128-L132 WeakPolarHBondContact O-CG 3.43Å; R128-L132 PolarHBondContact O-N 2.78Å; N129-L132 PolarHBondContact O-N 3.13Å; L132-L136 WeakPolarHBondContact O-CG 3.29Å; L132-L136 PolarHBondContact O-N 2.93Å; L132-F269 HydrophobicContact CB-CE1 4.46Å; L132-L285 HydrophobicContact CD1-CD2 4.46Å; L132-L285 HydrophobicContact CD2-CD2 4.1Å; L132-L285 HydrophobicContact CD2-CG 4.18Å; L132-I290 HydrophobicContact CD2-CD1 3.41Å; L132-I290 VanDerWaalsContact CD2-CD1 3.41Å; L132-I290 HydrophobicContact CG-CD1 4.09Å
133F82.1Confident79.6Confident39 Ų3939.4 Ų39.417%0.17121%0.206CC..Hα-helixtrans-61.9-46.7176.5-174.8-87.8000112N129 A130 L131 L136 T137 L252 F269 P272N129-F133 WeakPolarHBondContact O-CB 3.41Å; N129-F133 PolarHBondContact O-N 2.69Å; A130-F133 PolarHBondContact O-N 2.99Å; L131-F133 VanDerWaalsContact C-N 3.32Å; L131-F133 PolarHBondContact O-N 2.86Å; F133-L136 PolarHBondContact O-N 3.04Å; F133-T137 HydrophobicContact CD1-CG2 4.27Å; F133-T137 HydrophobicContact CE1-CG2 3.92Å; F133-T137 HydrophobicContact CE2-CG2 4.49Å; F133-T137 HydrophobicContact CZ-CG2 4.05Å; F133-T137 WeakPolarHBondContact O-CB 3.38Å; F133-T137 WeakPolarHBondContact O-CG2 3.49Å; F133-T137 PolarHBondContact O-N 3.3Å; F133-T137 VanDerWaalsContact O-N 3.09Å; F133-T137 PolarHBondContact O-OG1 3.21Å; F133-L252 HydrophobicContact CD1-CD1 3.78Å; F133-L252 HydrophobicContact CD1-CD2 3.78Å; F133-L252 HydrophobicContact CD1-CG 4.47Å; F133-L252 HydrophobicContact CE1-CD1 4.33Å; F133-L252 HydrophobicContact CE1-CD2 3.68Å; F133-L252 HydrophobicContact CZ-CD2 4.4Å; F133-F269 HydrophobicContact CB-CZ 4.31Å; F133-P272 HydrophobicContact CD2-CG 3.97Å; F133-P272 HydrophobicContact CE2-CG 3.94Å
134C79.7Confident78.8Confident7 Ų742 Ų425%0.04722%0.219CC..Hα-helixtrans-62.7-46.5177.8-74.60000111.9A130 L131 L136 T137 D138 T145 L252A130-C134 WeakPolarHBondContact O-CB 3.43Å; A130-C134 PolarHBondContact O-N 2.88Å; A130-C134 PolarHBondContact O-SG 3.16Å; A130-C134 VanDerWaalsContact O-SG 3.35Å; L131-C134 PolarHBondContact O-N 2.88Å; C134-L136 VanDerWaalsContact C-N 3.26Å; C134-L136 PolarHBondContact O-N 3.49Å; C134-T137 PolarHBondContact O-N 3.23Å; C134-T137 PolarHBondContact O-OG1 2.94Å; C134-D138 PolarHBondContact O-N 3.4Å; C134-T145 HydrophobicContact CB-CG2 3.84Å; C134-L252 WeakPolarHBondContact SG-CD1 3.09Å
135A74.7Confident78.3Confident10 Ų1043.1 Ų43.18%0.08323%0.226CC..Hα-helixtrans-60.8-34-179.500000112.9L131 L284 I288L131-A135 WeakPolarHBondContact O-CB 3.48Å; L131-A135 PolarHBondContact O-N 3.47Å; A135-L284 HydrophobicContact CB-CD2 4.47Å; A135-I288 HydrophobicContact CB-CD1 4.05Å
136L73.5Confident77.9Confident17 Ų1741.8 Ų41.89%0.08922%0.217CC..Hα-helixtrans-81.2-27.2177.8-72.1168.8000113.9L132 F133 C134 P271 L284L132-L136 WeakPolarHBondContact O-CG 3.29Å; L132-L136 PolarHBondContact O-N 2.93Å; F133-L136 PolarHBondContact O-N 3.04Å; C134-L136 VanDerWaalsContact C-N 3.26Å; C134-L136 PolarHBondContact O-N 3.49Å; L136-P271 HydrophobicContact CD1-CB 3.31Å; L136-P271 HydrophobicContact CD1-CG 4.27Å; L136-L284 HydrophobicContact CD2-CD1 3.46Å; L136-L284 VanDerWaalsContact CD2-CD1 3.46Å; L136-L284 HydrophobicContact CG-CD1 4.3Å
137T72.5Confident77.4Confident36 Ų3644.8 Ų44.822%0.22123%0.231CC..Hα-helixtrans-92.3-25.8-177.350.60000113F133 C134 R248F133-T137 HydrophobicContact CD1-CG2 4.27Å; F133-T137 HydrophobicContact CE1-CG2 3.92Å; F133-T137 HydrophobicContact CE2-CG2 4.49Å; F133-T137 HydrophobicContact CZ-CG2 4.05Å; F133-T137 WeakPolarHBondContact O-CB 3.38Å; F133-T137 WeakPolarHBondContact O-CG2 3.49Å; F133-T137 PolarHBondContact O-N 3.3Å; F133-T137 VanDerWaalsContact O-N 3.09Å; F133-T137 PolarHBondContact O-OG1 3.21Å; C134-T137 PolarHBondContact O-N 3.23Å; C134-T137 PolarHBondContact O-OG1 2.94Å; T137-R248 PolarHBondContact OG1-NH2 3.36Å
138D70Confident77.1Confident65 Ų6545.2 Ų45.235%0.34823%0.233SC..  trans-144.483-178.5-171.3-0.9000111.3C134 Q140 R248C134-D138 PolarHBondContact O-N 3.4Å; D138-Q140 PolarHBondContact O-N 3.47Å; D138-R248 IonicContact OD2-NH1 2.99Å; D138-R248 PolarHBondContact OD2-NH1 3.13Å
139P67.6Low77.1Confident92 Ų9241.7 Ų41.760%0.59722%0.22SC*.THydrogen-bonded Turntrans-76.21.3-174.628.8-33.8000114.1N141P139-N141 VanDerWaalsContact C-N 3.35Å; P139-N141 PolarHBondContact O-N 3.45Å
140Q65.6Low77Confident159 Ų15943 Ų4374%0.74323%0.225SC*.THydrogen-bonded Turntrans-74-19.3-167-65.6-168.2-0.500114.5D138D138-Q140 PolarHBondContact O-N 3.47Å
141N66.6Low76.8Confident91 Ų9143.6 Ų43.649%0.48723%0.228SC..  trans-157.372.4175.8-71.3-67000112.6P139 E143 I144P139-N141 VanDerWaalsContact C-N 3.35Å; P139-N141 PolarHBondContact O-N 3.45Å; N141-E143 VanDerWaalsContact C-N 3.27Å; N141-E143 PolarHBondContact O-N 3.32Å; N141-I144 HydrophobicContact CB-CB 4.33Å; N141-I144 HydrophobicContact CB-CD1 3.82Å; N141-I144 HydrophobicContact CB-CG1 4.1Å; N141-I144 PolarHBondContact O-N 2.96Å
142P70.8Confident77Confident31 Ų3143.4 Ų43.420%0.20123%0.227CC..Hα-helixtrans-62.2-32.9-179.224.5-31.5000112.7I144 T145 I146 I288P142-I144 PolarHBondContact O-N 3.42Å; P142-T145 PolarHBondContact O-N 3.18Å; P142-I146 WeakPolarHBondContact O-CD1 3.35Å; P142-I146 WeakPolarHBondContact O-CG1 3.35Å; P142-I146 PolarHBondContact O-N 2.76Å; P142-I288 HydrophobicContact CB-CD1 4.35Å
143E74.1Confident77.4Confident124 Ų12443.1 Ų43.158%0.57923%0.226SC*.Hα-helixtrans-60.1-42.4-179.4-65.772.6-158.300112.2N141 T145 I146 E147N141-E143 VanDerWaalsContact C-N 3.27Å; N141-E143 PolarHBondContact O-N 3.32Å; E143-T145 VanDerWaalsContact C-N 3.34Å; E143-T145 PolarHBondContact O-N 2.83Å; E143-I146 WeakPolarHBondContact O-CB 3.31Å; E143-I146 PolarHBondContact O-N 3.41Å; E143-E147 WeakPolarHBondContact O-CG 3.43Å; E143-E147 PolarHBondContact O-N 3.47Å
144I76Confident77.5Confident56 Ų5643.1 Ų43.129%0.28723%0.233SC..Hα-helixtrans-64.3-42.7178.3-61.8178.3000110.2N141 P142 I146 E147 L148 L242N141-I144 HydrophobicContact CB-CB 4.33Å; N141-I144 HydrophobicContact CB-CD1 3.82Å; N141-I144 HydrophobicContact CB-CG1 4.1Å; N141-I144 PolarHBondContact O-N 2.96Å; P142-I144 PolarHBondContact O-N 3.42Å; I144-I146 VanDerWaalsContact C-N 3.33Å; I144-I146 PolarHBondContact O-N 2.77Å; I144-E147 PolarHBondContact O-N 2.85Å; I144-L148 HydrophobicContact CG2-CD1 4.03Å; I144-L148 HydrophobicContact CG2-CG 4.5Å; I144-L148 WeakPolarHBondContact O-CB 3.41Å; I144-L148 WeakPolarHBondContact O-CG 3.12Å; I144-L148 PolarHBondContact O-N 3.02Å; I144-L242 HydrophobicContact CG2-CD2 3.54Å
145T78.1Confident77.8Confident28 Ų2843.6 Ų43.617%0.17223%0.234CC..Hα-helixtrans-65.7-39.1179.5-53.90000111.2L131 C134 P142 E143 L148 C149L131-T145 HydrophobicContact CD1-CG2 3.68Å; C134-T145 HydrophobicContact CB-CG2 3.84Å; P142-T145 PolarHBondContact O-N 3.18Å; E143-T145 VanDerWaalsContact C-N 3.34Å; E143-T145 PolarHBondContact O-N 2.83Å; T145-L148 PolarHBondContact O-N 3.21Å; T145-C149 PolarHBondContact O-N 3.4Å; T145-C149 PolarHBondContact O-SG 3.26Å
146I79.6Confident78.6Confident22 Ų2243.2 Ų43.211%0.11323%0.231CC..Hα-helixtrans-60.3-50.6174.9-72.4161.8000110.9L131 P142 E143 I144 L148 C149 K150 I288 V293L131-I146 HydrophobicContact CD1-CG1 3.91Å; L131-I146 HydrophobicContact CD2-CG1 4.19Å; P142-I146 WeakPolarHBondContact O-CD1 3.35Å; P142-I146 WeakPolarHBondContact O-CG1 3.35Å; P142-I146 PolarHBondContact O-N 2.76Å; E143-I146 WeakPolarHBondContact O-CB 3.31Å; E143-I146 PolarHBondContact O-N 3.41Å; I144-I146 VanDerWaalsContact C-N 3.33Å; I144-I146 PolarHBondContact O-N 2.77Å; I146-L148 VanDerWaalsContact C-N 3.33Å; I146-L148 PolarHBondContact O-N 2.94Å; I146-C149 PolarHBondContact O-N 2.98Å; I146-K150 WeakPolarHBondContact O-CG 3.3Å; I146-K150 PolarHBondContact O-N 3.47Å; I146-I288 HydrophobicContact CD1-CG2 3.37Å; I146-I288 HydrophobicContact CG1-CG2 4.03Å; I146-V293 HydrophobicContact CG2-CG2 3.7Å
147E78.7Confident79.3Confident64 Ų6443 Ų4330%0.29923%0.23SC..Hα-helixtrans-65.1-36.9179.7-69.3-53.4126.300111.9E143 I144 K150 L151 V326E143-E147 WeakPolarHBondContact O-CG 3.43Å; E143-E147 PolarHBondContact O-N 3.47Å; I144-E147 PolarHBondContact O-N 2.85Å; E147-K150 PolarHBondContact O-N 3.24Å; E147-K150 IonicContact OE1-NZ 2.87Å; E147-K150 PolarHBondContact OE1-NZ 3.32Å; E147-L151 WeakPolarHBondContact O-CB 2.93Å; E147-L151 PolarHBondContact O-N 2.96Å; E147-V326 HydrophobicContact CB-CG2 4.42Å; E147-V326 HydrophobicContact CG-CG2 4.37Å
148L84.3Confident79.9Confident10 Ų1044 Ų445%0.05224%0.238CC..Hα-helixtrans-65.1-39.2172.8-75.8172.2000112.8I144 T145 I146 L151 F152 F226 L242 P245I144-L148 HydrophobicContact CG2-CD1 4.03Å; I144-L148 HydrophobicContact CG2-CG 4.5Å; I144-L148 WeakPolarHBondContact O-CB 3.41Å; I144-L148 WeakPolarHBondContact O-CG 3.12Å; I144-L148 PolarHBondContact O-N 3.02Å; T145-L148 PolarHBondContact O-N 3.21Å; I146-L148 VanDerWaalsContact C-N 3.33Å; I146-L148 PolarHBondContact O-N 2.94Å; L148-L151 PolarHBondContact O-N 3.43Å; L148-F152 VanDerWaalsContact O-CB 3.27Å; L148-F152 WeakPolarHBondContact O-CB 3.26Å; L148-F152 PolarHBondContact O-N 2.9Å; L148-F226 HydrophobicContact CD2-CE2 4.47Å; L148-F226 HydrophobicContact CD2-CZ 4.07Å; L148-L242 HydrophobicContact CD1-CD2 4.38Å; L148-L242 HydrophobicContact CD2-CB 4.38Å; L148-P245 HydrophobicContact CD1-CB 3.46Å; L148-P245 VanDerWaalsContact CD1-CB 3.46Å; L148-P245 HydrophobicContact CD1-CG 4.4Å
149C86.8Confident80.8Confident0 Ų041.2 Ų41.20%022%0.223CC..Hα-helixtrans-63.5-43.8174.6-69.80000111.2V127 T145 I146 F152 L153 V293V127-C149 HydrophobicContact CG1-CB 3.78Å; T145-C149 PolarHBondContact O-N 3.4Å; T145-C149 PolarHBondContact O-SG 3.26Å; I146-C149 PolarHBondContact O-N 2.98Å; C149-F152 PolarHBondContact O-N 3.48Å; C149-L153 VanDerWaalsContact O-CG 3.31Å; C149-L153 WeakPolarHBondContact O-CG 3.37Å; C149-L153 PolarHBondContact O-N 3.46Å; C149-V293 HydrophobicContact CB-CG1 4.03Å
150K82.8Confident81.9Confident36 Ų3639.8 Ų39.816%0.15721%0.207CC..Hα-helixtrans-61-47175-68.8175.4-173168.30111.7I146 E147 F152 L153 A154 V293I146-K150 WeakPolarHBondContact O-CG 3.3Å; I146-K150 PolarHBondContact O-N 3.47Å; E147-K150 PolarHBondContact O-N 3.24Å; E147-K150 IonicContact OE1-NZ 2.87Å; E147-K150 PolarHBondContact OE1-NZ 3.32Å; K150-F152 VanDerWaalsContact C-N 3.34Å; K150-F152 PolarHBondContact O-N 3.49Å; K150-L153 PolarHBondContact O-N 2.86Å; K150-A154 WeakPolarHBondContact O-CB 3.41Å; K150-A154 PolarHBondContact O-N 3.16Å; K150-V293 HydrophobicContact CG-CG1 4.07Å; K150-V293 HydrophobicContact CG-CG2 4.45Å
151L83.7Confident83.1Confident12 Ų1232.5 Ų32.56%0.06317%0.173CC..Hα-helixtrans-59.3-45.5177179.166.3000111.2E147 L148 A154 Y155 F226 F330E147-L151 WeakPolarHBondContact O-CB 2.93Å; E147-L151 PolarHBondContact O-N 2.96Å; L148-L151 PolarHBondContact O-N 3.43Å; L151-A154 PolarHBondContact O-N 3.3Å; L151-Y155 WeakPolarHBondContact O-CB 3.17Å; L151-Y155 PolarHBondContact O-N 3.46Å; L151-F226 HydrophobicContact CD2-CE1 4.44Å; L151-F226 HydrophobicContact CD2-CE2 4.33Å; L151-F226 HydrophobicContact CD2-CZ 3.59Å; L151-F330 HydrophobicContact CD1-CE1 4.41Å
152F89.7Confident84.2Confident0 Ų030.6 Ų30.60%017%0.165CC..Hα-helixtrans-60.7-50178.3179.6-95.6000111.8V127 L148 C149 K150 A154 Y155 V156 L211 L215 I218 L222 L249 L253V127-F152 HydrophobicContact CG2-CD1 3.95Å; V127-F152 HydrophobicContact CG2-CE1 3.94Å; L148-F152 VanDerWaalsContact O-CB 3.27Å; L148-F152 WeakPolarHBondContact O-CB 3.26Å; L148-F152 PolarHBondContact O-N 2.9Å; C149-F152 PolarHBondContact O-N 3.48Å; K150-F152 VanDerWaalsContact C-N 3.34Å; K150-F152 PolarHBondContact O-N 3.49Å; F152-A154 PolarHBondContact O-N 3.2Å; F152-Y155 PolarHBondContact O-N 2.93Å; F152-V156 HydrophobicContact CD1-CG2 4.17Å; F152-V156 HydrophobicContact CE1-CG2 3.83Å; F152-V156 HydrophobicContact CE2-CG2 4.42Å; F152-V156 HydrophobicContact CZ-CG2 3.98Å; F152-V156 WeakPolarHBondContact O-CG2 3.48Å; F152-V156 PolarHBondContact O-N 2.98Å; F152-L211 HydrophobicContact CE1-CD1 4.24Å; F152-L211 HydrophobicContact CZ-CD1 3.94Å; F152-L211 HydrophobicContact CZ-CD2 4.46Å; F152-L215 HydrophobicContact CE2-CD1 3.75Å; F152-L215 HydrophobicContact CZ-CD1 3.82Å; F152-I218 HydrophobicContact CE2-CG2 4.18Å; F152-L222 HydrophobicContact CD2-CD1 4.08Å; F152-L249 HydrophobicContact CB-CD2 4.17Å; F152-L249 HydrophobicContact CG-CD2 4.28Å; F152-L253 HydrophobicContact CD1-CD1 4.25Å; F152-L253 HydrophobicContact CE1-CD1 3.52Å; F152-L253 HydrophobicContact CE2-CD1 4.4Å; F152-L253 HydrophobicContact CZ-CD1 3.6Å
153L89.3Confident85.1Confident6 Ų631.4 Ų31.43%0.03116%0.164CC..Hα-helixtrans-60.8-44.8178.4-69.8175.3000111.9I123 N124 V127 C149 K150 Y155 V156 N157 T203 V293I123-L153 HydrophobicContact CG2-CD2 4.09Å; N124-L153 VanDerWaalsContact OD1-CD2 3.31Å; N124-L153 WeakPolarHBondContact OD1-CD2 3.43Å; V127-L153 HydrophobicContact CB-CD2 3.98Å; V127-L153 HydrophobicContact CB-CG 4.41Å; V127-L153 HydrophobicContact CG1-CD1 4.04Å; V127-L153 HydrophobicContact CG1-CD2 4.16Å; V127-L153 HydrophobicContact CG1-CG 4.03Å; V127-L153 HydrophobicContact CG2-CD2 3.73Å; V127-L153 HydrophobicContact CG2-CG 4.42Å; C149-L153 VanDerWaalsContact O-CG 3.31Å; C149-L153 WeakPolarHBondContact O-CG 3.37Å; C149-L153 PolarHBondContact O-N 3.46Å; K150-L153 PolarHBondContact O-N 2.86Å; L153-Y155 VanDerWaalsContact C-N 3.3Å; L153-Y155 PolarHBondContact O-N 3.32Å; L153-V156 PolarHBondContact O-N 3.43Å; L153-N157 PolarHBondContact O-N 3.18Å; L153-T203 HydrophobicContact CB-CG2 4.46Å; L153-T203 HydrophobicContact CD2-CG2 3.69Å; L153-V293 HydrophobicContact CD1-CG1 4.35Å
154A83.9Confident85.7Confident40 Ų4026.2 Ų26.233%0.33114%0.142SC..Hα-helixtrans-59.5-41.8176.100000111.7K150 L151 F152 N157 S158 F330K150-A154 WeakPolarHBondContact O-CB 3.41Å; K150-A154 PolarHBondContact O-N 3.16Å; L151-A154 PolarHBondContact O-N 3.3Å; F152-A154 PolarHBondContact O-N 3.2Å; A154-N157 PolarHBondContact O-N 2.76Å; A154-S158 PolarHBondContact O-N 2.65Å; A154-S158 PolarHBondContact O-OG 3.35Å; A154-F330 HydrophobicContact CB-CE1 4.06Å
155Y86.4Confident86.1Confident17 Ų1727.1 Ų27.17%0.06715%0.153CC..Hα-helixtrans-66.7-43.3178.1-159.1-93.8000112.1L151 F152 L153 N157 S158 Y159 I218 R221 L222 L335L151-Y155 WeakPolarHBondContact O-CB 3.17Å; L151-Y155 PolarHBondContact O-N 3.46Å; F152-Y155 PolarHBondContact O-N 2.93Å; L153-Y155 VanDerWaalsContact C-N 3.3Å; L153-Y155 PolarHBondContact O-N 3.32Å; Y155-N157 VanDerWaalsContact C-N 3.27Å; Y155-N157 PolarHBondContact O-N 3.37Å; Y155-S158 PolarHBondContact O-N 3.12Å; Y155-S158 PolarHBondContact O-OG 2.9Å; Y155-S158 VanDerWaalsContact O-OG 3.13Å; Y155-Y159 HydrophobicContact CE1-CD2 4.02Å; Y155-Y159 VanDerWaalsContact O-CB 3.25Å; Y155-Y159 WeakPolarHBondContact O-CB 3.4Å; Y155-Y159 PolarHBondContact O-N 3.04Å; Y155-I218 HydrophobicContact CD1-CB 4.39Å; Y155-I218 HydrophobicContact CD1-CG1 4.18Å; Y155-I218 HydrophobicContact CD1-CG2 3.73Å; Y155-I218 HydrophobicContact CE1-CB 4.45Å; Y155-I218 HydrophobicContact CE1-CG1 4.22Å; Y155-I218 HydrophobicContact CE1-CG2 4.18Å; Y155-R221 HydrophobicContact CE1-CB 4.4Å; Y155-R221 WeakPolarHBondContact OH-CB 3.49Å; Y155-R221 WeakPolarHBondContact OH-CD 3.26Å; Y155-L222 HydrophobicContact CD1-CD1 4.48Å; Y155-L222 HydrophobicContact CD1-CD2 4.27Å; Y155-L222 HydrophobicContact CD1-CG 4.21Å; Y155-L222 HydrophobicContact CD2-CD2 3.86Å; Y155-L222 HydrophobicContact CE1-CG 4.44Å; Y155-L222 HydrophobicContact CE2-CD2 4.28Å; Y155-L222 HydrophobicContact CG-CD2 3.86Å; Y155-L222 HydrophobicContact CG-CG 4.29Å; Y155-L335 HydrophobicContact CD2-CD2 4.14Å; Y155-L335 HydrophobicContact CE2-CD2 3.61Å
156V90Very high86.4Confident1 Ų131.4 Ų31.41%0.00617%0.171CC..Hα-helixtrans-59.4-39.6175.5175.20000111I123 F152 L153 T203 F210 L211 I218I123-V156 HydrophobicContact CD1-CG1 4.34Å; F152-V156 HydrophobicContact CD1-CG2 4.17Å; F152-V156 HydrophobicContact CE1-CG2 3.83Å; F152-V156 HydrophobicContact CE2-CG2 4.42Å; F152-V156 HydrophobicContact CZ-CG2 3.98Å; F152-V156 WeakPolarHBondContact O-CG2 3.48Å; F152-V156 PolarHBondContact O-N 2.98Å; L153-V156 PolarHBondContact O-N 3.43Å; V156-T203 HydrophobicContact CB-CG2 3.77Å; V156-T203 HydrophobicContact CG1-CG2 3.59Å; V156-F210 HydrophobicContact CG1-CE1 4.01Å; V156-L211 HydrophobicContact CG2-CD1 4.19Å; V156-I218 HydrophobicContact CB-CD1 4.47Å; V156-I218 HydrophobicContact CG2-CD1 3.84Å
157N89.9Confident86.3Confident13 Ų1332.3 Ų32.37%0.0717%0.173CC..Hα-helixtrans-73-28.2178.8-76.8-25.7000114.1L153 A154 Y155 K192 E201 A202 T203L153-N157 PolarHBondContact O-N 3.18Å; A154-N157 PolarHBondContact O-N 2.76Å; Y155-N157 VanDerWaalsContact C-N 3.27Å; Y155-N157 PolarHBondContact O-N 3.37Å; N157-K192 PolarHBondContact O-NZ 3.15Å; N157-E201 PolarHBondContact ND2-OE1 3.49Å; N157-E201 PolarHBondContact ND2-OE2 3.36Å; N157-A202 PolarHBondContact OD1-N 3.18Å; N157-T203 PolarHBondContact ND2-OG1 3.47Å; N157-T203 VanDerWaalsContact ND2-OG1 3.11Å; N157-T203 WeakPolarHBondContact OD1-CG2 3.23Å; N157-T203 PolarHBondContact OD1-N 3.02Å; N157-T203 PolarHBondContact OD1-OG1 3.13Å
158S84.6Confident85.5Confident56 Ų5637 Ų3739%0.39220%0.198SC..Hα-helixtrans-88-20.4177.169.40000113.4A154 Y155 K160A154-S158 PolarHBondContact O-N 2.65Å; A154-S158 PolarHBondContact O-OG 3.35Å; Y155-S158 PolarHBondContact O-N 3.12Å; Y155-S158 PolarHBondContact O-OG 2.9Å; Y155-S158 VanDerWaalsContact O-OG 3.13Å; S158-K160 PolarHBondContact O-N 3.3Å
159Y88.5Confident84.6Confident7 Ų742.3 Ų42.33%0.02722%0.223CC..  trans-63.9124.6-173-173.6-104.9000113.6Y155 I161 W184 V214 E217 I218Y155-Y159 HydrophobicContact CE1-CD2 4.02Å; Y155-Y159 VanDerWaalsContact O-CB 3.25Å; Y155-Y159 WeakPolarHBondContact O-CB 3.4Å; Y155-Y159 PolarHBondContact O-N 3.04Å; Y159-I161 HydrophobicContact CD1-CG2 3.83Å; Y159-I161 HydrophobicContact CE1-CB 4.45Å; Y159-I161 HydrophobicContact CE1-CG2 3.95Å; Y159-W184 WeakPolarHBondContact O-CZ2 3.48Å; Y159-V214 HydrophobicContact CD1-CB 4.26Å; Y159-V214 HydrophobicContact CD1-CG1 4.39Å; Y159-V214 HydrophobicContact CE1-CB 4.08Å; Y159-V214 HydrophobicContact CE1-CG1 4.19Å; Y159-E217 HydrophobicContact CE2-CG 4.26Å; Y159-E217 WeakPolarHBondContact OH-CG 3.35Å; Y159-I218 HydrophobicContact CD1-CD1 4.14Å; Y159-I218 HydrophobicContact CD1-CG1 4.13Å; Y159-I218 HydrophobicContact CD2-CG1 4.04Å; Y159-I218 HydrophobicContact CE1-CG1 4.4Å; Y159-I218 HydrophobicContact CE2-CG1 4.32Å; Y159-I218 HydrophobicContact CG-CD1 4.12Å; Y159-I218 HydrophobicContact CG-CG1 3.97Å
160K90.1Very high82.7Confident62 Ų6251.1 Ų51.127%0.2726%0.261SS..  trans-86108.3172.8-169.3-178.3-176-178.40109.1S158 W184 Y189 D339S158-K160 PolarHBondContact O-N 3.3Å; K160-W184 HydrophobicContact CB-CH2 4.46Å; K160-W184 HydrophobicContact CG-CH2 3.98Å; K160-Y189 HydrophobicContact CD-CE2 4.47Å; K160-Y189 WeakPolarHBondContact CE-OH 3.42Å; K160-Y189 HydrophobicContact CG-CE2 4.24Å; K160-D339 IonicContact NZ-OD2 3.42Å; K160-D339 PolarHBondContact NZ-OD2 3.47Å
161I90.6Very high81.2Confident6 Ų659.6 Ų59.63%0.03129%0.294CS..PPolyproline II helixtrans-71.6150.4-179.665.4177.8000111.6Y159 Y181 W184 F210 V214Y159-I161 HydrophobicContact CD1-CG2 3.83Å; Y159-I161 HydrophobicContact CE1-CB 4.45Å; Y159-I161 HydrophobicContact CE1-CG2 3.95Å; I161-Y181 HydrophobicContact CD1-CD2 3.54Å; I161-Y181 HydrophobicContact CD1-CE2 4.21Å; I161-Y181 HydrophobicContact CD1-CG 4.27Å; I161-Y181 HydrophobicContact CG1-CD2 3.72Å; I161-Y181 HydrophobicContact CG1-CE2 3.92Å; I161-W184 HydrophobicContact CD1-CB 3.89Å; I161-W184 HydrophobicContact CD1-CD2 3.52Å; I161-W184 HydrophobicContact CD1-CE3 3.43Å; I161-W184 VanDerWaalsContact CD1-CE3 3.43Å; I161-W184 HydrophobicContact CD1-CG 3.73Å; I161-W184 HydrophobicContact CD1-CZ3 4.14Å; I161-W184 HydrophobicContact CG1-CD2 3.65Å; I161-W184 HydrophobicContact CG1-CE3 3.39Å; I161-W184 HydrophobicContact CG1-CG 4.33Å; I161-W184 HydrophobicContact CG1-CH2 3.98Å; I161-W184 HydrophobicContact CG1-CZ2 4.2Å; I161-W184 HydrophobicContact CG1-CZ3 3.56Å; I161-F210 HydrophobicContact CG2-CE2 4.34Å; I161-F210 HydrophobicContact CG2-CZ 4.18Å; I161-V214 HydrophobicContact CB-CG1 4.45Å; I161-V214 HydrophobicContact CG2-CG1 3.51Å
162T89.9Confident80.3Confident52 Ų5260.8 Ų60.832%0.31930%0.299SS..PPolyproline II helixtrans-69.3149-177.8510000112.7R167 Y177 Y181T162-R167 PolarHBondContact OG1-NE 3.48Å; T162-Y177 PolarHBondContact N-OH 2.92Å; T162-Y177 WeakPolarHBondContact O-CE1 3.34Å; T162-Y177 PolarHBondContact O-OH 2.89Å; T162-Y177 PolarHBondContact OG1-OH 2.59Å; T162-Y181 WeakPolarHBondContact O-CE2 3.42Å
163Y91Very high79.4Confident47 Ų4764.1 Ų64.118%0.18432%0.317CS..PPolyproline II helixtrans-59.2141.2175.7-63.3-61.4000111E84 D86 T89 S165 Q166 R167 Y181E84-Y163 PolarHBondContact OE1-OH 2.89Å; D86-Y163 HydrophobicContact CB-CD1 3.82Å; D86-Y163 HydrophobicContact CB-CD2 4.37Å; D86-Y163 HydrophobicContact CB-CE1 3.88Å; D86-Y163 HydrophobicContact CB-CE2 4.44Å; D86-Y163 HydrophobicContact CB-CG 4.08Å; T89-Y163 HydrophobicContact CG2-CE1 4.19Å; T89-Y163 VanDerWaalsContact OG1-CD1 3.24Å; T89-Y163 WeakPolarHBondContact OG1-CD1 3.46Å; T89-Y163 VanDerWaalsContact OG1-CE1 3.28Å; T89-Y163 WeakPolarHBondContact OG1-CE1 3.28Å; Y163-S165 WeakPolarHBondContact CB-OG 3.36Å; Y163-S165 PolarHBondContact O-N 3.11Å; Y163-Q166 HydrophobicContact CD2-CG 4.42Å; Y163-Q166 PolarHBondContact O-N 2.99Å; Y163-R167 PolarHBondContact O-N 3.39Å; Y163-Y181 HydrophobicContact CD1-CE2 4.32Å; Y163-Y181 AromaticContact CD1-CZ 3.83Å; Y163-Y181 WeakPolarHBondContact CD1-OH 3.36Å; Y163-Y181 VanDerWaalsContact CE1-OH 3.25Å; Y163-Y181 WeakPolarHBondContact CE1-OH 3.45Å
164P86.1Confident78.7Confident16 Ų1670.1 Ų70.110%0.10434%0.342CS..G310 helixtrans-62.4-25.6177.3-1930.6000113E88 Q166 Y177 K178 Y181E88-P164 VanDerWaalsContact OE2-CB 3.23Å; E88-P164 WeakPolarHBondContact OE2-CB 3.25Å; E88-P164 WeakPolarHBondContact OE2-CG 3.21Å; P164-Q166 VanDerWaalsContact C-N 3.27Å; P164-Q166 PolarHBondContact O-N 3.33Å; P164-Y177 HydrophobicContact CB-CD1 4.04Å; P164-Y177 HydrophobicContact CB-CE1 4.28Å; P164-Y177 HydrophobicContact CG-CD1 4.21Å; P164-Y177 HydrophobicContact CG-CE1 4.17Å; P164-K178 HydrophobicContact CB-CG 3.66Å; P164-K178 HydrophobicContact CG-CG 4.05Å; P164-Y181 HydrophobicContact CG-CD1 3.82Å; P164-Y181 HydrophobicContact CG-CD2 4.01Å; P164-Y181 HydrophobicContact CG-CE1 4.44Å; P164-Y181 HydrophobicContact CG-CG 3.6Å
165S84.3Confident78.2Confident74 Ų7471.6 Ų71.652%0.51735%0.348SS..G310 helixtrans-66.5-25.6173.956.80000113.4D86 Y163D86-S165 WeakPolarHBondContact OD1-CB 3.44Å; D86-S165 PolarHBondContact OD1-OG 3.1Å; Y163-S165 WeakPolarHBondContact CB-OG 3.36Å; Y163-S165 PolarHBondContact O-N 3.11Å
166Q84.1Confident77.6Confident119 Ų11971.8 Ų71.856%0.55635%0.354SS*.G310 helixtrans-96.4-4-178.3-66.6177.7-17.700113.4Y163 P164 I168Y163-Q166 HydrophobicContact CD2-CG 4.42Å; Y163-Q166 PolarHBondContact O-N 2.99Å; P164-Q166 VanDerWaalsContact C-N 3.27Å; P164-Q166 PolarHBondContact O-N 3.33Å; Q166-I168 PolarHBondContact O-N 3.29Å
167R78.9Confident77.4Confident40 Ų4072 Ų7215%0.15136%0.355CS..  trans-80.1113.4177.2-74.7-133175.7-165.4-1.3111.5T162 Y163 E172 Y177 A213T162-R167 PolarHBondContact OG1-NE 3.48Å; Y163-R167 PolarHBondContact O-N 3.39Å; R167-E172 VanDerWaalsContact CD-CD 3.47Å; R167-E172 VanDerWaalsContact CD-OE1 3.26Å; R167-E172 WeakPolarHBondContact CD-OE1 3.48Å; R167-E172 WeakPolarHBondContact CD-OE2 3.37Å; R167-E172 IonicContact CZ-OE1 3.76Å; R167-E172 IonicContact NE-OE1 3.34Å; R167-E172 IonicContact NE-OE2 3Å; R167-E172 IonicContact NH1-OE1 2.58Å; R167-E172 PolarHBondContact NH1-OE1 3.16Å; R167-E172 IonicContact NH1-OE2 3.85Å; R167-Y177 HydrophobicContact CG-CD1 4.18Å; R167-Y177 HydrophobicContact CG-CE1 3.83Å; R167-Y177 VanDerWaalsContact CZ-CZ 3.43Å; R167-Y177 PolarHBondContact NE-OH 3Å; R167-Y177 PolarHBondContact NH2-OH 3.29Å; R167-A213 VanDerWaalsContact CZ-O 3.31Å; R167-A213 PolarHBondContact NH1-O 3.31Å; R167-A213 PolarHBondContact NH2-O 2.91Å
168I61.8Low77.2Confident162 Ų16275.5 Ų75.583%0.83137%0.37SS*.  trans-97.9-9-173.8-59.4170.6000112.6Q166 K170Q166-I168 PolarHBondContact O-N 3.29Å; I168-K170 PolarHBondContact O-N 3.2Å
169Q64Low77.2Confident123 Ų12374.3 Ų74.358%0.57536%0.359SS*.  trans-62.2126.2-172.9-70.1-175.76.200112.8Y171 E172Q169-Y171 VanDerWaalsContact C-N 3.29Å; Q169-Y171 PolarHBondContact O-N 2.8Å; Q169-E172 HydrophobicContact CB-CB 4.03Å
170K47.4Very low77.2Confident185 Ų18575 Ų7580%0.80436%0.363SS*.THydrogen-bonded Turntrans-68.5-24.6-170.1-157177.7-177.8-176.80113.7I168I168-K170 PolarHBondContact O-N 3.2Å
171Y52.2Low77.3Confident214 Ų21472.3 Ų72.384%0.83935%0.351SS*.THydrogen-bonded Turntrans-1137.2-173.8-58.5-77.6000113.6Q169Q169-Y171 VanDerWaalsContact C-N 3.29Å; Q169-Y171 PolarHBondContact O-N 2.8Å
172E63.9Low77.4Confident36 Ų3676.4 Ų76.417%0.16837%0.371CS..SBendtrans-80.4136.7-179-171.6176-171.700111.6R167 Q169 K174 Y177R167-E172 VanDerWaalsContact CD-CD 3.47Å; R167-E172 VanDerWaalsContact CD-OE1 3.26Å; R167-E172 WeakPolarHBondContact CD-OE1 3.48Å; R167-E172 WeakPolarHBondContact CD-OE2 3.37Å; R167-E172 IonicContact CZ-OE1 3.76Å; R167-E172 IonicContact NE-OE1 3.34Å; R167-E172 IonicContact NE-OE2 3Å; R167-E172 IonicContact NH1-OE1 2.58Å; R167-E172 PolarHBondContact NH1-OE1 3.16Å; R167-E172 IonicContact NH1-OE2 3.85Å; Q169-E172 HydrophobicContact CB-CB 4.03Å; E172-K174 VanDerWaalsContact C-N 3.28Å; E172-K174 PolarHBondContact O-N 3.4Å; E172-Y177 WeakPolarHBondContact OE1-CD2 3.13Å
173N70.9Confident77.6Confident70 Ų7075 Ų7537%0.37436%0.36SS..  trans-67.184.8171.4178.53.7000110.3T175 G176 Y177N173-T175 PolarHBondContact O-N 3.3Å; N173-T175 PolarHBondContact OD1-N 3.06Å; N173-G176 WeakPolarHBondContact O-CA 3.12Å; N173-G176 PolarHBondContact O-N 3.27Å; N173-G176 PolarHBondContact OD1-N 3.21Å; N173-Y177 PolarHBondContact O-N 3.26Å
174K74.5Confident77.8Confident132 Ų13273 Ų7357%0.57435%0.352SS*.Hα-helixtrans-53.4-40.1-177.9-65.4-172178.5-173.60113E172 Y177 K178E172-K174 VanDerWaalsContact C-N 3.28Å; E172-K174 PolarHBondContact O-N 3.4Å; K174-Y177 PolarHBondContact O-N 2.7Å; K174-K178 WeakPolarHBondContact O-CB 3.44Å; K174-K178 VanDerWaalsContact O-CG 3.29Å; K174-K178 WeakPolarHBondContact O-CG 3.46Å; K174-K178 PolarHBondContact O-N 2.74Å
175T73.6Confident78.2Confident72 Ų7272.2 Ų72.244%0.44235%0.347SS..Hα-helixtrans-67.8-43.2178.6-56.20000111.2N173 K178 L179N173-T175 PolarHBondContact O-N 3.3Å; N173-T175 PolarHBondContact OD1-N 3.06Å; T175-K178 PolarHBondContact O-N 2.68Å; T175-L179 PolarHBondContact O-N 3.03Å; T175-L179 VanDerWaalsContact O-N 3.08Å
176G73.6Confident78.7Confident20 Ų2069.2 Ų69.221%0.20633%0.326CS..Hα-helixtrans-60.7-46.2174.300000111.9N173 K178 L179 I180N173-G176 WeakPolarHBondContact O-CA 3.12Å; N173-G176 PolarHBondContact O-N 3.27Å; N173-G176 PolarHBondContact OD1-N 3.21Å; G176-K178 PolarHBondContact O-N 2.95Å; G176-L179 PolarHBondContact O-N 3.39Å; G176-I180 WeakPolarHBondContact O-CG1 3.37Å; G176-I180 PolarHBondContact O-N 3.35Å
177Y84.7Confident79.2Confident7 Ų764.1 Ų64.13%0.02730%0.302CS..Hα-helixtrans-63-41.5176.9-172-101.5000112.5T162 P164 R167 E172 N173 K174 L179 I180 Y181 A213T162-Y177 PolarHBondContact N-OH 2.92Å; T162-Y177 WeakPolarHBondContact O-CE1 3.34Å; T162-Y177 PolarHBondContact O-OH 2.89Å; T162-Y177 PolarHBondContact OG1-OH 2.59Å; P164-Y177 HydrophobicContact CB-CD1 4.04Å; P164-Y177 HydrophobicContact CB-CE1 4.28Å; P164-Y177 HydrophobicContact CG-CD1 4.21Å; P164-Y177 HydrophobicContact CG-CE1 4.17Å; R167-Y177 HydrophobicContact CG-CD1 4.18Å; R167-Y177 HydrophobicContact CG-CE1 3.83Å; R167-Y177 VanDerWaalsContact CZ-CZ 3.43Å; R167-Y177 PolarHBondContact NE-OH 3Å; R167-Y177 PolarHBondContact NH2-OH 3.29Å; E172-Y177 WeakPolarHBondContact OE1-CD2 3.13Å; N173-Y177 PolarHBondContact O-N 3.26Å; K174-Y177 PolarHBondContact O-N 2.7Å; Y177-L179 VanDerWaalsContact C-N 3.29Å; Y177-L179 PolarHBondContact O-N 2.86Å; Y177-I180 WeakPolarHBondContact O-CB 3.47Å; Y177-I180 PolarHBondContact O-N 3.3Å; Y177-Y181 HydrophobicContact CE1-CD2 4.43Å; Y177-Y181 VanDerWaalsContact O-CB 3.31Å; Y177-Y181 WeakPolarHBondContact O-CB 2.84Å; Y177-Y181 PolarHBondContact O-N 3.34Å; Y177-A213 HydrophobicContact CD2-CB 4.04Å; Y177-A213 HydrophobicContact CE2-CB 4.19Å
178K86Confident79.9Confident86 Ų8662.3 Ų62.337%0.37430%0.296SS..Hα-helixtrans-60.2-38.1174.1-76-179.5-173-1620112.9E88 P164 K174 T175 G176 Y181 M182E88-K178 WeakPolarHBondContact OE1-CE 3.4Å; E88-K178 IonicContact OE1-NZ 3.96Å; E88-K178 PolarHBondContact OE1-NZ 2.87Å; E88-K178 WeakPolarHBondContact OE2-CE 3.36Å; E88-K178 IonicContact OE2-NZ 3.96Å; P164-K178 HydrophobicContact CB-CG 3.66Å; P164-K178 HydrophobicContact CG-CG 4.05Å; K174-K178 WeakPolarHBondContact O-CB 3.44Å; K174-K178 VanDerWaalsContact O-CG 3.29Å; K174-K178 WeakPolarHBondContact O-CG 3.46Å; K174-K178 PolarHBondContact O-N 2.74Å; T175-K178 PolarHBondContact O-N 2.68Å; G176-K178 PolarHBondContact O-N 2.95Å; K178-Y181 PolarHBondContact O-N 2.94Å; K178-M182 WeakPolarHBondContact O-CB 3.21Å; K178-M182 PolarHBondContact O-N 3.23Å
179L85.5Confident81.5Confident31 Ų3156 Ų5616%0.16226%0.262CS..Hα-helixtrans-68.4-43.8176.3-177.462.1000111.4T175 G176 Y177 Y181 M182 R183 V562T175-L179 PolarHBondContact O-N 3.03Å; T175-L179 VanDerWaalsContact O-N 3.08Å; G176-L179 PolarHBondContact O-N 3.39Å; Y177-L179 VanDerWaalsContact C-N 3.29Å; Y177-L179 PolarHBondContact O-N 2.86Å; L179-Y181 VanDerWaalsContact C-N 3.33Å; L179-M182 PolarHBondContact O-N 3.04Å; L179-R183 WeakPolarHBondContact O-CB 3.23Å; L179-R183 WeakPolarHBondContact O-CG 3.37Å; L179-R183 PolarHBondContact O-N 2.92Å; L179-V562 HydrophobicContact CD2-CB 4.42Å; L179-V562 HydrophobicContact CD2-CG2 4.12Å
180I88.4Confident82.9Confident21 Ų2150.1 Ų50.111%0.10823%0.234CC..Hα-helixtrans-56-49.7171.8-74.4164.6000110.2G176 Y177 M182 R183 W184 N209 F210G176-I180 WeakPolarHBondContact O-CG1 3.37Å; G176-I180 PolarHBondContact O-N 3.35Å; Y177-I180 WeakPolarHBondContact O-CB 3.47Å; Y177-I180 PolarHBondContact O-N 3.3Å; I180-M182 PolarHBondContact O-N 2.78Å; I180-R183 PolarHBondContact O-N 3.09Å; I180-W184 WeakPolarHBondContact O-CB 3.27Å; I180-W184 PolarHBondContact O-N 2.68Å; I180-N209 HydrophobicContact CD1-CB 4.46Å; I180-F210 HydrophobicContact CG2-CD2 3.51Å; I180-F210 HydrophobicContact CG2-CE2 4.13Å; I180-F210 HydrophobicContact CG2-CG 4.44Å
181Y93Very high85Confident6 Ų641.6 Ų41.62%0.02420%0.198CC..Hα-helixtrans-58.6-48.3-179.5-172.8-90.9000111.9T89 I92 I161 T162 Y163 P164 Y177 K178 L179 R183 W184 I185T89-Y181 WeakPolarHBondContact OG1-CE1 3.46Å; T89-Y181 PolarHBondContact OG1-OH 3.34Å; I92-Y181 HydrophobicContact CD1-CD1 3.92Å; I92-Y181 HydrophobicContact CD1-CE1 4.03Å; I161-Y181 HydrophobicContact CD1-CD2 3.54Å; I161-Y181 HydrophobicContact CD1-CE2 4.21Å; I161-Y181 HydrophobicContact CD1-CG 4.27Å; I161-Y181 HydrophobicContact CG1-CD2 3.72Å; I161-Y181 HydrophobicContact CG1-CE2 3.92Å; T162-Y181 WeakPolarHBondContact O-CE2 3.42Å; Y163-Y181 HydrophobicContact CD1-CE2 4.32Å; Y163-Y181 AromaticContact CD1-CZ 3.83Å; Y163-Y181 WeakPolarHBondContact CD1-OH 3.36Å; Y163-Y181 VanDerWaalsContact CE1-OH 3.25Å; Y163-Y181 WeakPolarHBondContact CE1-OH 3.45Å; P164-Y181 HydrophobicContact CG-CD1 3.82Å; P164-Y181 HydrophobicContact CG-CD2 4.01Å; P164-Y181 HydrophobicContact CG-CE1 4.44Å; P164-Y181 HydrophobicContact CG-CG 3.6Å; Y177-Y181 HydrophobicContact CE1-CD2 4.43Å; Y177-Y181 VanDerWaalsContact O-CB 3.31Å; Y177-Y181 WeakPolarHBondContact O-CB 2.84Å; Y177-Y181 PolarHBondContact O-N 3.34Å; K178-Y181 PolarHBondContact O-N 2.94Å; L179-Y181 VanDerWaalsContact C-N 3.33Å; Y181-R183 PolarHBondContact O-N 3.29Å; Y181-W184 HydrophobicContact CE2-CZ3 4.31Å; Y181-W184 PolarHBondContact O-N 2.93Å; Y181-I185 HydrophobicContact CD1-CG1 3.98Å; Y181-I185 HydrophobicContact CE1-CD1 4.03Å; Y181-I185 HydrophobicContact CE1-CG1 3.57Å; Y181-I185 WeakPolarHBondContact O-CG1 3.36Å; Y181-I185 PolarHBondContact O-N 3.13Å
182M92.6Very high86.8Confident92 Ų9235.5 Ų35.545%0.45318%0.176SC..Hα-helixtrans-60.4-47.1177.6-173.5-166.3-45.100112.5I92 K178 L179 I180 W184 I185 C186I92-M182 HydrophobicContact CD1-CB 4.22Å; I92-M182 HydrophobicContact CD1-CG 4.28Å; I92-M182 HydrophobicContact CG1-CG 4.3Å; K178-M182 WeakPolarHBondContact O-CB 3.21Å; K178-M182 PolarHBondContact O-N 3.23Å; L179-M182 PolarHBondContact O-N 3.04Å; I180-M182 PolarHBondContact O-N 2.78Å; M182-W184 VanDerWaalsContact C-N 3.34Å; M182-I185 PolarHBondContact O-N 3.43Å; M182-C186 WeakPolarHBondContact O-CB 3.23Å; M182-C186 PolarHBondContact O-N 2.9Å; M182-C186 PolarHBondContact O-SG 3.35Å
183R93.6Very high88Confident22 Ų2234.9 Ų34.98%0.08317%0.172CC..Hα-helixtrans-62.8-42.2177.9-75.9170.5170.9163.5-8.1111.3D114 F118 L179 I180 Y181 C186 H187 F206D114-R183 IonicContact OD1-NH2 3.63Å; D114-R183 IonicContact OD2-CZ 2.78Å; D114-R183 IonicContact OD2-NE 2.64Å; D114-R183 PolarHBondContact OD2-NE 3.34Å; D114-R183 IonicContact OD2-NH2 3.39Å; D114-R183 PolarHBondContact OD2-NH2 3.04Å; F118-R183 HydrophobicContact CD1-CG 4.28Å; F118-R183 HydrophobicContact CD2-CB 4.21Å; F118-R183 HydrophobicContact CD2-CG 4.5Å; F118-R183 HydrophobicContact CE1-CB 4.44Å; F118-R183 HydrophobicContact CE1-CG 3.99Å; F118-R183 HydrophobicContact CE2-CB 3.8Å; F118-R183 HydrophobicContact CE2-CG 4.23Å; F118-R183 HydrophobicContact CZ-CB 3.94Å; F118-R183 HydrophobicContact CZ-CG 3.98Å; L179-R183 WeakPolarHBondContact O-CB 3.23Å; L179-R183 WeakPolarHBondContact O-CG 3.37Å; L179-R183 PolarHBondContact O-N 2.92Å; I180-R183 PolarHBondContact O-N 3.09Å; Y181-R183 PolarHBondContact O-N 3.29Å; R183-C186 PolarHBondContact O-N 2.81Å; R183-H187 WeakPolarHBondContact O-CB 3.37Å; R183-H187 PolarHBondContact O-CD2 3.35Å; R183-H187 PolarHBondContact O-N 3.44Å; R183-F206 HydrophobicContact CB-CE1 3.83Å; R183-F206 HydrophobicContact CB-CZ 3.62Å
184W95.5Very high89Confident4 Ų431.6 Ų31.62%0.01516%0.155CC..Hα-helixtrans-65.4-43.7178.9172.685.4000111.1Y159 K160 I161 I180 Y181 M182 C186 C188 Y189 F206 F210Y159-W184 WeakPolarHBondContact O-CZ2 3.48Å; K160-W184 HydrophobicContact CB-CH2 4.46Å; K160-W184 HydrophobicContact CG-CH2 3.98Å; I161-W184 HydrophobicContact CD1-CB 3.89Å; I161-W184 HydrophobicContact CD1-CD2 3.52Å; I161-W184 HydrophobicContact CD1-CE3 3.43Å; I161-W184 VanDerWaalsContact CD1-CE3 3.43Å; I161-W184 HydrophobicContact CD1-CG 3.73Å; I161-W184 HydrophobicContact CD1-CZ3 4.14Å; I161-W184 HydrophobicContact CG1-CD2 3.65Å; I161-W184 HydrophobicContact CG1-CE3 3.39Å; I161-W184 HydrophobicContact CG1-CG 4.33Å; I161-W184 HydrophobicContact CG1-CH2 3.98Å; I161-W184 HydrophobicContact CG1-CZ2 4.2Å; I161-W184 HydrophobicContact CG1-CZ3 3.56Å; I180-W184 WeakPolarHBondContact O-CB 3.27Å; I180-W184 PolarHBondContact O-N 2.68Å; Y181-W184 HydrophobicContact CE2-CZ3 4.31Å; Y181-W184 PolarHBondContact O-N 2.93Å; M182-W184 VanDerWaalsContact C-N 3.34Å; W184-C186 PolarHBondContact O-N 3.18Å; W184-C188 HydrophobicContact CG-CB 4.33Å; W184-C188 CarbonylContact O-C 3.57Å; W184-C188 WeakPolarHBondContact O-CA 3.35Å; W184-C188 WeakPolarHBondContact O-CB 3.3Å; W184-C188 PolarHBondContact O-N 3Å; W184-Y189 HydrophobicContact CH2-CD1 4.26Å; W184-Y189 AromaticContact CH2-CD2 3.38Å; W184-Y189 HydrophobicContact CH2-CD2 3.38Å; W184-Y189 HydrophobicContact CH2-CE2 4.01Å; W184-Y189 AromaticContact CH2-CG 3.53Å; W184-Y189 HydrophobicContact CH2-CG 3.53Å; W184-Y189 AromaticContact CZ2-CD2 3.59Å; W184-Y189 HydrophobicContact CZ2-CD2 3.59Å; W184-Y189 HydrophobicContact CZ2-CE2 4.45Å; W184-Y189 AromaticContact CZ2-CG 3.92Å; W184-Y189 HydrophobicContact CZ2-CG 3.92Å; W184-Y189 HydrophobicContact CZ3-CD1 4.35Å; W184-Y189 HydrophobicContact CZ3-CD2 4.22Å; W184-Y189 AromaticContact CZ3-CG 3.9Å; W184-Y189 HydrophobicContact CZ3-CG 3.9Å; W184-Y189 PolarHBondContact O-N 2.84Å; W184-F206 HydrophobicContact CB-CE2 4.05Å; W184-F206 HydrophobicContact CB-CZ 3.95Å; W184-F210 HydrophobicContact CB-CE2 4.32Å; W184-F210 AromaticContact CD1-CE2 3.82Å; W184-F210 HydrophobicContact CG-CE2 4.24Å
185I94.7Very high89.6Confident0 Ų030 Ų300%015%0.153CC..Iπ-helixtrans-56.5-51.4173.1-71.5-72.8000110.7T89 I92 Y93 I96 Y181 M182 Y189 V190T89-I185 HydrophobicContact CG2-CD1 4.37Å; I92-I185 HydrophobicContact CB-CG2 4.24Å; I92-I185 HydrophobicContact CD1-CG1 4.43Å; I92-I185 HydrophobicContact CG2-CB 4.11Å; I92-I185 HydrophobicContact CG2-CG2 3.37Å; Y93-I185 HydrophobicContact CD1-CG2 4.42Å; Y93-I185 HydrophobicContact CE1-CD1 4.5Å; Y93-I185 HydrophobicContact CE1-CG2 4.21Å; I96-I185 HydrophobicContact CD1-CG2 4.14Å; Y181-I185 HydrophobicContact CD1-CG1 3.98Å; Y181-I185 HydrophobicContact CE1-CD1 4.03Å; Y181-I185 HydrophobicContact CE1-CG1 3.57Å; Y181-I185 WeakPolarHBondContact O-CG1 3.36Å; Y181-I185 PolarHBondContact O-N 3.13Å; M182-I185 PolarHBondContact O-N 3.43Å; I185-Y189 HydrophobicContact CD1-CD1 3.85Å; I185-Y189 HydrophobicContact CD1-CG 4.46Å; I185-V190 HydrophobicContact CG2-CG2 3.71Å; I185-V190 VanDerWaalsContact O-CB 3.28Å; I185-V190 WeakPolarHBondContact O-CB 3.39Å; I185-V190 WeakPolarHBondContact O-CG2 3.43Å; I185-V190 PolarHBondContact O-N 2.95Å
186C93.7Very high90.4Very high12 Ų1227.1 Ų27.18%0.08114%0.136CC..Iπ-helixtrans-72.1-33.3-172.6-70.60000114.6F112 M182 R183 W184 P191F112-C186 HydrophobicContact CD2-CB 4.11Å; F112-C186 HydrophobicContact CE1-CB 4.32Å; F112-C186 HydrophobicContact CE2-CB 3.84Å; F112-C186 VanDerWaalsContact CE2-O 3.29Å; F112-C186 WeakPolarHBondContact CE2-O 3.42Å; F112-C186 HydrophobicContact CG-CB 4.47Å; F112-C186 HydrophobicContact CZ-CB 3.97Å; M182-C186 WeakPolarHBondContact O-CB 3.23Å; M182-C186 PolarHBondContact O-N 2.9Å; M182-C186 PolarHBondContact O-SG 3.35Å; R183-C186 PolarHBondContact O-N 2.81Å; W184-C186 PolarHBondContact O-N 3.18Å; C186-P191 WeakPolarHBondContact O-CD 3.39Å; C186-P191 WeakPolarHBondContact O-CG 3.24Å
187H94.5Very high91.3Very high11 Ų1126.4 Ų26.45%0.05113%0.127CC..Iπ-helixtrans-113.5-22.6-170.3-65.7-89.5000114.5F112 D114 F118 R183 T200F112-H187 AromaticContact CD2-CE1 3.77Å; F112-H187 AromaticContact CD2-NE2 3.87Å; D114-H187 PolarHBondContact O-CE1 3.08Å; D114-H187 PolarHBondContact O-NE2 3.33Å; F118-H187 HydrophobicContact CE2-CB 4.39Å; F118-H187 HydrophobicContact CZ-CB 4.27Å; F118-H187 AromaticContact CZ-CD2 3.5Å; F118-H187 AromaticContact CZ-CG 3.76Å; F118-H187 AromaticContact CZ-NE2 3.88Å; R183-H187 WeakPolarHBondContact O-CB 3.37Å; R183-H187 PolarHBondContact O-CD2 3.35Å; R183-H187 PolarHBondContact O-N 3.44Å; H187-T200 PolarHBondContact O-N 2.84Å; H187-T200 VanDerWaalsContact O-O 3.12Å
188C93.9Very high91.5Very high3 Ų329 Ų292%0.0215%0.145CC..Iπ-helixtrans-119.1-43.2-172.8-52.60000112.6W184 K192 Y199 T200W184-C188 HydrophobicContact CG-CB 4.33Å; W184-C188 CarbonylContact O-C 3.57Å; W184-C188 WeakPolarHBondContact O-CA 3.35Å; W184-C188 WeakPolarHBondContact O-CB 3.3Å; W184-C188 PolarHBondContact O-N 3Å; C188-K192 WeakPolarHBondContact O-CE 3.42Å; C188-K192 WeakPolarHBondContact O-CG 3.35Å; C188-Y199 VanDerWaalsContact O-CE2 3.32Å; C188-Y199 WeakPolarHBondContact O-CE2 3.45Å; C188-T200 WeakPolarHBondContact CA-O 3.36Å; C188-T200 PolarHBondContact SG-O 3.49Å
189Y94.4Very high91.8Very high29 Ų2927.6 Ų27.611%0.11414%0.138CC..Iπ-helixtrans-88.1-60.4-173.9-176.6-106.9000112.7K160 W184 I185 K192 F193K160-Y189 HydrophobicContact CD-CE2 4.47Å; K160-Y189 WeakPolarHBondContact CE-OH 3.42Å; K160-Y189 HydrophobicContact CG-CE2 4.24Å; W184-Y189 HydrophobicContact CH2-CD1 4.26Å; W184-Y189 AromaticContact CH2-CD2 3.38Å; W184-Y189 HydrophobicContact CH2-CD2 3.38Å; W184-Y189 HydrophobicContact CH2-CE2 4.01Å; W184-Y189 AromaticContact CH2-CG 3.53Å; W184-Y189 HydrophobicContact CH2-CG 3.53Å; W184-Y189 AromaticContact CZ2-CD2 3.59Å; W184-Y189 HydrophobicContact CZ2-CD2 3.59Å; W184-Y189 HydrophobicContact CZ2-CE2 4.45Å; W184-Y189 AromaticContact CZ2-CG 3.92Å; W184-Y189 HydrophobicContact CZ2-CG 3.92Å; W184-Y189 HydrophobicContact CZ3-CD1 4.35Å; W184-Y189 HydrophobicContact CZ3-CD2 4.22Å; W184-Y189 AromaticContact CZ3-CG 3.9Å; W184-Y189 HydrophobicContact CZ3-CG 3.9Å; W184-Y189 PolarHBondContact O-N 2.84Å; I185-Y189 HydrophobicContact CD1-CD1 3.85Å; I185-Y189 HydrophobicContact CD1-CG 4.46Å; Y189-K192 VanDerWaalsContact O-CB 3.28Å; Y189-K192 WeakPolarHBondContact O-CB 3.42Å; Y189-K192 PolarHBondContact O-N 2.95Å; Y189-K192 VanDerWaalsContact O-N 3.12Å; Y189-F193 HydrophobicContact CD1-CE1 4.03Å; Y189-F193 HydrophobicContact CD1-CZ 4.23Å; Y189-F193 AromaticContact CE1-CE1 3.8Å; Y189-F193 HydrophobicContact CE1-CE1 3.8Å; Y189-F193 HydrophobicContact CE1-CZ 4.04Å; Y189-F193 WeakPolarHBondContact O-CE1 3.14Å
190V93.4Very high92.1Very high0 Ų027.8 Ų27.80%014%0.141CC..G310 helixtrans-62.6-40.4-177.8175.80000112.6M77 Y93 I96 I185 K192 F193 C194 L197M77-V190 HydrophobicContact SD-CG1 3.65Å; Y93-V190 HydrophobicContact CD1-CG2 4.22Å; Y93-V190 HydrophobicContact CE1-CG2 3.81Å; I96-V190 HydrophobicContact CD1-CB 4.07Å; I96-V190 HydrophobicContact CD1-CG1 4Å; I96-V190 HydrophobicContact CD1-CG2 3.83Å; I96-V190 HydrophobicContact CG2-CG1 4.42Å; I185-V190 HydrophobicContact CG2-CG2 3.71Å; I185-V190 VanDerWaalsContact O-CB 3.28Å; I185-V190 WeakPolarHBondContact O-CB 3.39Å; I185-V190 WeakPolarHBondContact O-CG2 3.43Å; I185-V190 PolarHBondContact O-N 2.95Å; V190-K192 PolarHBondContact O-N 3.29Å; V190-F193 HydrophobicContact CB-CE2 4.28Å; V190-F193 HydrophobicContact CB-CZ 4.15Å; V190-F193 HydrophobicContact CG1-CE2 3.88Å; V190-F193 HydrophobicContact CG1-CZ 4.26Å; V190-F193 HydrophobicContact CG2-CE2 4.34Å; V190-F193 HydrophobicContact CG2-CZ 3.94Å; V190-F193 PolarHBondContact O-N 3.42Å; V190-C194 HydrophobicContact CG1-CB 3.72Å; V190-C194 VanDerWaalsContact O-CB 3.32Å; V190-C194 WeakPolarHBondContact O-CB 3.49Å; V190-C194 PolarHBondContact O-N 3.11Å; V190-L197 HydrophobicContact CG1-CD1 3.83Å
191P93.4Very high92.3Very high5 Ų528.1 Ų28.13%0.03214%0.142CC..G310 helixtrans-64.4-7.4176.7-22.835.3000115.1C186 F193 L197 Y199C186-P191 WeakPolarHBondContact O-CD 3.39Å; C186-P191 WeakPolarHBondContact O-CG 3.24Å; P191-F193 PolarHBondContact O-N 3.29Å; P191-L197 HydrophobicContact CB-CB 4.05Å; P191-L197 HydrophobicContact CG-CB 3.85Å; P191-L197 HydrophobicContact CG-CD1 4.36Å; P191-Y199 HydrophobicContact CB-CD2 4.08Å; P191-Y199 HydrophobicContact CB-CG 4.44Å
192K88.9Confident92.3Very high87 Ų8727.9 Ų27.938%0.37814%0.141SC..G310 helixtrans-67.4-25.8169.3-68.7179.6178.4-1730112.8N157 C188 Y189 V190 Y199N157-K192 PolarHBondContact O-NZ 3.15Å; C188-K192 WeakPolarHBondContact O-CE 3.42Å; C188-K192 WeakPolarHBondContact O-CG 3.35Å; Y189-K192 VanDerWaalsContact O-CB 3.28Å; Y189-K192 WeakPolarHBondContact O-CB 3.42Å; Y189-K192 PolarHBondContact O-N 2.95Å; Y189-K192 VanDerWaalsContact O-N 3.12Å; V190-K192 PolarHBondContact O-N 3.29Å; K192-Y199 HydrophobicContact CG-CD2 4.22Å; K192-Y199 HydrophobicContact CG-CE2 3.69Å
193F89.8Confident92.3Very high22 Ų2223.5 Ų23.510%0.09612%0.12CC..THydrogen-bonded Turntrans-132.40.5-175.456-106.3000113.6R76 M77 L80 Y189 V190 P191 M342R76-F193 WeakPolarHBondContact CD-O 3.41Å; R76-F193 PolarHBondContact NH1-O 3.48Å; M77-F193 HydrophobicContact SD-CE2 4.4Å; L80-F193 HydrophobicContact CD1-CD2 4.19Å; L80-F193 HydrophobicContact CD1-CE2 3.38Å; L80-F193 HydrophobicContact CD1-CZ 3.95Å; Y189-F193 HydrophobicContact CD1-CE1 4.03Å; Y189-F193 HydrophobicContact CD1-CZ 4.23Å; Y189-F193 AromaticContact CE1-CE1 3.8Å; Y189-F193 HydrophobicContact CE1-CE1 3.8Å; Y189-F193 HydrophobicContact CE1-CZ 4.04Å; Y189-F193 WeakPolarHBondContact O-CE1 3.14Å; V190-F193 HydrophobicContact CB-CE2 4.28Å; V190-F193 HydrophobicContact CB-CZ 4.15Å; V190-F193 HydrophobicContact CG1-CE2 3.88Å; V190-F193 HydrophobicContact CG1-CZ 4.26Å; V190-F193 HydrophobicContact CG2-CE2 4.34Å; V190-F193 HydrophobicContact CG2-CZ 3.94Å; V190-F193 PolarHBondContact O-N 3.42Å; P191-F193 PolarHBondContact O-N 3.29Å; F193-M342 HydrophobicContact CD1-CE 4.35Å; F193-M342 HydrophobicContact CE1-CE 4.44Å
194C91.4Very high92.2Very high1 Ų124.3 Ų24.31%0.00713%0.128CC..  trans-120.190.9173.9-176.90000108.1D73 V190 A196 L197D73-C194 VanDerWaalsContact CB-SG 3.54Å; D73-C194 VanDerWaalsContact OD2-C 3.23Å; D73-C194 PolarHBondContact OD2-SG 3.34Å; V190-C194 HydrophobicContact CG1-CB 3.72Å; V190-C194 VanDerWaalsContact O-CB 3.32Å; V190-C194 WeakPolarHBondContact O-CB 3.49Å; V190-C194 PolarHBondContact O-N 3.11Å; C194-A196 PolarHBondContact O-N 3.11Å; C194-L197 HydrophobicContact CB-CD1 4.1Å; C194-L197 HydrophobicContact CB-CG 4.46Å; C194-L197 PolarHBondContact O-N 2.94Å; C194-L197 VanDerWaalsContact O-N 3.16Å
195N88Confident92Very high100 Ų10024.1 Ų24.154%0.53513%0.127SC..THydrogen-bonded Turntrans-70.2-19.2-167.2-67-22.3000113.7Q69 D73 L197Q69-N195 HydrophobicContact CG-CB 3.74Å; Q69-N195 PolarHBondContact OE1-ND2 3.19Å; D73-N195 PolarHBondContact OD1-N 3.42Å; D73-N195 PolarHBondContact OD2-N 3.13Å; N195-L197 PolarHBondContact O-N 2.98Å
196A90.2Very high92Very high11 Ų1124.3 Ų24.39%0.09113%0.128CC..THydrogen-bonded Turntrans-68.7-22.3174.700000113M70 D73 L100 P110 C194M70-A196 HydrophobicContact CB-CB 4.38Å; M70-A196 HydrophobicContact CG-CB 3.54Å; D73-A196 WeakPolarHBondContact OD2-CB 3.44Å; D73-A196 PolarHBondContact OD2-N 3.11Å; L100-A196 HydrophobicContact CD2-CB 3.95Å; P110-A196 HydrophobicContact CG-CB 4.03Å; P110-A196 WeakPolarHBondContact CG-O 3.29Å; C194-A196 PolarHBondContact O-N 3.11Å
197L91Very high91.8Very high4 Ų423.8 Ų23.82%0.02112%0.124CC..SBendtrans-89.6143.4-178.5-62.5174.8000111.4I96 L100 P110 F112 V190 P191 C194 N195 Y199I96-L197 HydrophobicContact CG2-CD1 3.74Å; L100-L197 HydrophobicContact CD2-CD2 4.02Å; L100-L197 HydrophobicContact CD2-CG 4.35Å; P110-L197 HydrophobicContact CB-CD2 3.93Å; P110-L197 HydrophobicContact CG-CD2 3.91Å; F112-L197 HydrophobicContact CE2-CD1 4.25Å; F112-L197 HydrophobicContact CE2-CD2 3.85Å; F112-L197 HydrophobicContact CZ-CD1 4.29Å; F112-L197 HydrophobicContact CZ-CD2 3.98Å; V190-L197 HydrophobicContact CG1-CD1 3.83Å; P191-L197 HydrophobicContact CB-CB 4.05Å; P191-L197 HydrophobicContact CG-CB 3.85Å; P191-L197 HydrophobicContact CG-CD1 4.36Å; C194-L197 HydrophobicContact CB-CD1 4.1Å; C194-L197 HydrophobicContact CB-CG 4.46Å; C194-L197 PolarHBondContact O-N 2.94Å; C194-L197 VanDerWaalsContact O-N 3.16Å; N195-L197 PolarHBondContact O-N 2.98Å; L197-Y199 PolarHBondContact O-N 3.22Å; L197-Y199 VanDerWaalsContact O-N 3.14Å
198P90.4Very high91.6Very high63 Ų6325.9 Ų25.941%0.40913%0.134SC..PPolyproline II helixtrans-62.6116.6171.8-2132.5000111.3
199Y92.4Very high91.1Very high55 Ų5529.2 Ų29.222%0.21615%0.151CC..PPolyproline II helixtrans-83135.6171.8175.6-106.4000110.9C188 P191 K192 L197 E201C188-Y199 VanDerWaalsContact O-CE2 3.32Å; C188-Y199 WeakPolarHBondContact O-CE2 3.45Å; P191-Y199 HydrophobicContact CB-CD2 4.08Å; P191-Y199 HydrophobicContact CB-CG 4.44Å; K192-Y199 HydrophobicContact CG-CD2 4.22Å; K192-Y199 HydrophobicContact CG-CE2 3.69Å; L197-Y199 PolarHBondContact O-N 3.22Å; L197-Y199 VanDerWaalsContact O-N 3.14Å; Y199-E201 HydrophobicContact CE1-CG 3.75Å
200T91.6Very high91Very high36 Ų3627.9 Ų27.922%0.22115%0.146CC..  trans-137.5134.7166.9-52.50000107.9P116 H187 C188 C204 A205P116-T200 HydrophobicContact CB-CG2 4.13Å; P116-T200 HydrophobicContact CG-CG2 3.96Å; P116-T200 WeakPolarHBondContact CG-OG1 3.49Å; H187-T200 PolarHBondContact O-N 2.84Å; H187-T200 VanDerWaalsContact O-O 3.12Å; C188-T200 WeakPolarHBondContact CA-O 3.36Å; C188-T200 PolarHBondContact SG-O 3.49Å; T200-C204 HydrophobicContact CG2-CB 4.03Å; T200-A205 HydrophobicContact CG2-CB 3.94Å
201E91.1Very high90.9Very high27 Ų2727.9 Ų27.913%0.12615%0.146CC..  trans-63148.8175.4-69.2-165.8133.700112.2N157 Y199 T203 C204 A205 S297N157-E201 PolarHBondContact ND2-OE1 3.49Å; N157-E201 PolarHBondContact ND2-OE2 3.36Å; Y199-E201 HydrophobicContact CE1-CG 3.75Å; E201-T203 VanDerWaalsContact C-N 3.26Å; E201-T203 PolarHBondContact O-N 3.48Å; E201-C204 HydrophobicContact CB-CB 4.42Å; E201-C204 PolarHBondContact O-N 3.36Å; E201-A205 VanDerWaalsContact O-CB 3.23Å; E201-A205 WeakPolarHBondContact O-CB 3.5Å; E201-A205 PolarHBondContact O-N 2.94Å; E201-S297 WeakPolarHBondContact OE2-CB 3.26Å; E201-S297 PolarHBondContact OE2-OG 2.92Å
202A93.4Very high90.7Very high2 Ų231 Ų312%0.01716%0.162CC..Hα-helixtrans-62.1-37.2-178.900000111.5N157 C204 A205 F206 F210N157-A202 PolarHBondContact OD1-N 3.18Å; A202-C204 VanDerWaalsContact C-N 3.31Å; A202-C204 PolarHBondContact O-N 3.21Å; A202-A205 PolarHBondContact O-N 2.66Å; A202-F206 HydrophobicContact CB-CD2 4.36Å; A202-F206 WeakPolarHBondContact O-CD2 3.49Å; A202-F206 PolarHBondContact O-N 3.45Å; A202-F210 HydrophobicContact CB-CE1 4.3Å; A202-F210 HydrophobicContact CB-CZ 4.09Å
203T93.7Very high90.6Very high0 Ų027.8 Ų27.80%015%0.152CC..Hα-helixtrans-70.3-25-179.758.30000114.1I123 N124 L153 V156 N157 E201I123-T203 HydrophobicContact CB-CG2 4.36Å; I123-T203 HydrophobicContact CG2-CG2 3.99Å; I123-T203 PolarHBondContact N-O 2.8Å; N124-T203 PolarHBondContact N-O 2.64Å; N124-T203 VanDerWaalsContact N-O 3.15Å; N124-T203 PolarHBondContact ND2-OG1 3.41Å; N124-T203 WeakPolarHBondContact OD1-CB 3.36Å; N124-T203 PolarHBondContact OD1-OG1 2.49Å; N124-T203 VanDerWaalsContact OD1-OG1 3.11Å; L153-T203 HydrophobicContact CB-CG2 4.46Å; L153-T203 HydrophobicContact CD2-CG2 3.69Å; V156-T203 HydrophobicContact CB-CG2 3.77Å; V156-T203 HydrophobicContact CG1-CG2 3.59Å; N157-T203 PolarHBondContact ND2-OG1 3.47Å; N157-T203 VanDerWaalsContact ND2-OG1 3.11Å; N157-T203 WeakPolarHBondContact OD1-CG2 3.23Å; N157-T203 PolarHBondContact OD1-N 3.02Å; N157-T203 PolarHBondContact OD1-OG1 3.13Å; E201-T203 VanDerWaalsContact C-N 3.26Å; E201-T203 PolarHBondContact O-N 3.48Å
204C91.2Very high90.5Very high38 Ų3826.8 Ų26.826%0.25715%0.147SC..Hα-helixtrans-87.4-29.9172.4-62.30000112.4N124 T200 E201 A202N124-C204 PolarHBondContact ND2-SG 3.14Å; T200-C204 HydrophobicContact CG2-CB 4.03Å; E201-C204 HydrophobicContact CB-CB 4.42Å; E201-C204 PolarHBondContact O-N 3.36Å; A202-C204 VanDerWaalsContact C-N 3.31Å; A202-C204 PolarHBondContact O-N 3.21Å
205A91.8Very high90.5Very high0 Ų026.8 Ų26.80%015%0.147CC..Hα-helixtrans-84.1-32.5-174.800000112.6P116 F118 T200 E201 A202P116-A205 HydrophobicContact CB-CB 3.8Å; F118-A205 WeakPolarHBondContact CB-O 3.32Å; F118-A205 HydrophobicContact CD2-CB 4.07Å; F118-A205 WeakPolarHBondContact CD2-O 3.38Å; F118-A205 HydrophobicContact CE2-CB 3.98Å; F118-A205 PolarHBondContact N-O 2.9Å; T200-A205 HydrophobicContact CG2-CB 3.94Å; E201-A205 VanDerWaalsContact O-CB 3.23Å; E201-A205 WeakPolarHBondContact O-CB 3.5Å; E201-A205 PolarHBondContact O-N 2.94Å; A202-A205 PolarHBondContact O-N 2.66Å
206F93.8Very high90.4Very high5 Ų526 Ų262%0.02215%0.147CC..  trans-122.3163.1-171.7-62.7-84.9000113.2F118 D122 I123 R183 W184 A202 F210F118-F206 HydrophobicContact CB-CD1 4.36Å; F118-F206 AromaticContact CD2-CD1 3.78Å; F118-F206 HydrophobicContact CD2-CD1 3.78Å; F118-F206 HydrophobicContact CD2-CD2 4.44Å; F118-F206 AromaticContact CD2-CE1 3.49Å; F118-F206 HydrophobicContact CD2-CE1 3.49Å; F118-F206 VanDerWaalsContact CD2-CE1 3.49Å; F118-F206 HydrophobicContact CD2-CE2 4.18Å; F118-F206 HydrophobicContact CD2-CG 4.25Å; F118-F206 AromaticContact CD2-CZ 3.71Å; F118-F206 HydrophobicContact CD2-CZ 3.71Å; F118-F206 HydrophobicContact CE2-CE1 4.06Å; F118-F206 HydrophobicContact CE2-CE2 4.22Å; F118-F206 AromaticContact CE2-CZ 3.81Å; F118-F206 HydrophobicContact CE2-CZ 3.81Å; F118-F206 HydrophobicContact CG-CE1 4.32Å; D122-F206 CarbonylContact C-O 3.52Å; D122-F206 WeakPolarHBondContact CA-O 3.48Å; I123-F206 HydrophobicContact CD1-CB 4.23Å; I123-F206 WeakPolarHBondContact CG1-O 3.41Å; I123-F206 PolarHBondContact N-O 2.89Å; R183-F206 HydrophobicContact CB-CE1 3.83Å; R183-F206 HydrophobicContact CB-CZ 3.62Å; W184-F206 HydrophobicContact CB-CE2 4.05Å; W184-F206 HydrophobicContact CB-CZ 3.95Å; A202-F206 HydrophobicContact CB-CD2 4.36Å; A202-F206 WeakPolarHBondContact O-CD2 3.49Å; A202-F206 PolarHBondContact O-N 3.45Å; F206-F210 HydrophobicContact CB-CB 3.34Å; F206-F210 HydrophobicContact CB-CD1 4.15Å; F206-F210 HydrophobicContact CB-CD2 4.07Å; F206-F210 HydrophobicContact CB-CG 3.61Å; F206-F210 HydrophobicContact CD1-CB 3.83Å; F206-F210 AromaticContact CD1-CD2 3.83Å; F206-F210 HydrophobicContact CD1-CD2 3.83Å; F206-F210 HydrophobicContact CD1-CG 4.11Å; F206-F210 AromaticContact CD2-CD2 3.67Å; F206-F210 HydrophobicContact CD2-CD2 3.67Å; F206-F210 HydrophobicContact CD2-CE2 4.02Å; F206-F210 HydrophobicContact CD2-CG 4.07Å; F206-F210 HydrophobicContact CE1-CD2 4.13Å; F206-F210 AromaticContact CE2-CD2 3.99Å; F206-F210 HydrophobicContact CE2-CD2 3.99Å; F206-F210 HydrophobicContact CE2-CE2 4.11Å; F206-F210 HydrophobicContact CG-CB 3.69Å; F206-F210 HydrophobicContact CG-CD1 4.5Å; F206-F210 AromaticContact CG-CD2 3.59Å; F206-F210 HydrophobicContact CG-CD2 3.59Å; F206-F210 HydrophobicContact CG-CE2 4.39Å; F206-F210 AromaticContact CG-CG 3.69Å; F206-F210 HydrophobicContact CG-CG 3.69Å; F206-F210 HydrophobicContact CZ-CD2 4.21Å
207G89.9Confident90.2Very high0 Ų028.1 Ų28.10%016%0.155CC..BIsolated β-bridgetrans-123.1-146.2177.300000112.2E119 P121 N209 F210 L211E119-G207 WeakPolarHBondContact OE2-CA 3.44Å; E119-G207 PolarHBondContact OE2-N 3Å; P121-G207 WeakPolarHBondContact O-CA 3.4Å; G207-N209 VanDerWaalsContact C-N 3.32Å; G207-N209 PolarHBondContact O-N 3.35Å; G207-F210 PolarHBondContact O-N 3.47Å; G207-L211 PolarHBondContact O-N 2.93Å; G207-L211 VanDerWaalsContact O-N 3.16Å
208K89.1Confident90Very high56 Ų5627.9 Ų27.924%0.24315%0.154CC..Hα-helixtrans-53-43.2-171.2-170.1176.1177.4-176.80113.7E119 F210 L211 L212 D255 W265E119-K208 PolarHBondContact OE1-N 2.89Å; E119-K208 PolarHBondContact OE2-N 3.35Å; K208-F210 PolarHBondContact O-N 3.46Å; K208-L211 PolarHBondContact O-N 3.26Å; K208-L212 HydrophobicContact CD-CD1 4.46Å; K208-L212 HydrophobicContact CG-CD1 3.93Å; K208-L212 HydrophobicContact CG-CG 4.14Å; K208-L212 WeakPolarHBondContact O-CB 3.47Å; K208-L212 WeakPolarHBondContact O-CG 3.31Å; K208-L212 PolarHBondContact O-N 3.27Å; K208-D255 IonicContact NZ-OD2 2.99Å; K208-D255 PolarHBondContact NZ-OD2 3.5Å; K208-W265 VanDerWaalsContact CA-CH2 3.49Å; K208-W265 HydrophobicContact CB-CD2 3.73Å; K208-W265 HydrophobicContact CB-CE3 3.73Å; K208-W265 HydrophobicContact CB-CG 4.37Å; K208-W265 HydrophobicContact CB-CH2 4.04Å; K208-W265 HydrophobicContact CB-CZ2 4.02Å; K208-W265 HydrophobicContact CB-CZ3 3.9Å; K208-W265 HydrophobicContact CD-CD2 4.14Å; K208-W265 HydrophobicContact CD-CG 3.93Å; K208-W265 HydrophobicContact CG-CD2 4Å; K208-W265 HydrophobicContact CG-CG 4.32Å; K208-W265 HydrophobicContact CG-CZ2 4.15Å
209N85.2Confident89.9Confident72 Ų7226.9 Ų26.939%0.38514%0.143SC..Hα-helixtrans-66-41.2-174.7-74.9-73.2000112.8E119 I180 G207 A213E119-N209 PolarHBondContact OE1-N 3.31Å; E119-N209 PolarHBondContact OE1-ND2 2.67Å; E119-N209 WeakPolarHBondContact OE2-CB 3.39Å; E119-N209 PolarHBondContact OE2-N 2.83Å; I180-N209 HydrophobicContact CD1-CB 4.46Å; G207-N209 VanDerWaalsContact C-N 3.32Å; G207-N209 PolarHBondContact O-N 3.35Å; N209-A213 PolarHBondContact O-N 3.06Å
210F91.7Very high89.7Confident2 Ų229 Ų291%0.00915%0.151CC..Hα-helixtrans-63.5-47.7173.2175.2-84.7000110.1I123 V156 I161 I180 W184 A202 F206 G207 K208 L212 A213 V214I123-F210 HydrophobicContact CD1-CD1 3.68Å; I123-F210 HydrophobicContact CD1-CE1 4.34Å; V156-F210 HydrophobicContact CG1-CE1 4.01Å; I161-F210 HydrophobicContact CG2-CE2 4.34Å; I161-F210 HydrophobicContact CG2-CZ 4.18Å; I180-F210 HydrophobicContact CG2-CD2 3.51Å; I180-F210 HydrophobicContact CG2-CE2 4.13Å; I180-F210 HydrophobicContact CG2-CG 4.44Å; W184-F210 HydrophobicContact CB-CE2 4.32Å; W184-F210 AromaticContact CD1-CE2 3.82Å; W184-F210 HydrophobicContact CG-CE2 4.24Å; A202-F210 HydrophobicContact CB-CE1 4.3Å; A202-F210 HydrophobicContact CB-CZ 4.09Å; F206-F210 HydrophobicContact CB-CB 3.34Å; F206-F210 HydrophobicContact CB-CD1 4.15Å; F206-F210 HydrophobicContact CB-CD2 4.07Å; F206-F210 HydrophobicContact CB-CG 3.61Å; F206-F210 HydrophobicContact CD1-CB 3.83Å; F206-F210 AromaticContact CD1-CD2 3.83Å; F206-F210 HydrophobicContact CD1-CD2 3.83Å; F206-F210 HydrophobicContact CD1-CG 4.11Å; F206-F210 AromaticContact CD2-CD2 3.67Å; F206-F210 HydrophobicContact CD2-CD2 3.67Å; F206-F210 HydrophobicContact CD2-CE2 4.02Å; F206-F210 HydrophobicContact CD2-CG 4.07Å; F206-F210 HydrophobicContact CE1-CD2 4.13Å; F206-F210 AromaticContact CE2-CD2 3.99Å; F206-F210 HydrophobicContact CE2-CD2 3.99Å; F206-F210 HydrophobicContact CE2-CE2 4.11Å; F206-F210 HydrophobicContact CG-CB 3.69Å; F206-F210 HydrophobicContact CG-CD1 4.5Å; F206-F210 AromaticContact CG-CD2 3.59Å; F206-F210 HydrophobicContact CG-CD2 3.59Å; F206-F210 HydrophobicContact CG-CE2 4.39Å; F206-F210 AromaticContact CG-CG 3.69Å; F206-F210 HydrophobicContact CG-CG 3.69Å; F206-F210 HydrophobicContact CZ-CD2 4.21Å; G207-F210 PolarHBondContact O-N 3.47Å; K208-F210 PolarHBondContact O-N 3.46Å; F210-L212 PolarHBondContact O-N 3.25Å; F210-A213 WeakPolarHBondContact O-CB 3.46Å; F210-A213 PolarHBondContact O-N 3.4Å; F210-A213 VanDerWaalsContact O-N 3.13Å; F210-V214 HydrophobicContact CD1-CG2 4.08Å; F210-V214 HydrophobicContact CE1-CG1 4.36Å; F210-V214 HydrophobicContact CE1-CG2 3.8Å; F210-V214 HydrophobicContact CZ-CG1 4.29Å; F210-V214 HydrophobicContact CZ-CG2 4.48Å; F210-V214 WeakPolarHBondContact O-CG2 3.36Å; F210-V214 PolarHBondContact O-N 3.25Å
211L91.7Very high89.3Confident0 Ų030.1 Ų30.10%015%0.151CC..Hα-helixtrans-60.7-51-175.2-166.267.1000110.6I123 F152 V156 G207 K208 A213 V214 L215 L253 W265I123-L211 HydrophobicContact CD1-CB 4.14Å; I123-L211 HydrophobicContact CD1-CD1 4.15Å; I123-L211 HydrophobicContact CG1-CB 4.12Å; I123-L211 HydrophobicContact CG1-CD1 4.35Å; I123-L211 HydrophobicContact CG2-CD1 4.22Å; I123-L211 HydrophobicContact CG2-CD2 4.46Å; F152-L211 HydrophobicContact CE1-CD1 4.24Å; F152-L211 HydrophobicContact CZ-CD1 3.94Å; F152-L211 HydrophobicContact CZ-CD2 4.46Å; V156-L211 HydrophobicContact CG2-CD1 4.19Å; G207-L211 PolarHBondContact O-N 2.93Å; G207-L211 VanDerWaalsContact O-N 3.16Å; K208-L211 PolarHBondContact O-N 3.26Å; L211-A213 PolarHBondContact O-N 3.34Å; L211-A213 VanDerWaalsContact O-N 3.16Å; L211-V214 WeakPolarHBondContact O-CG2 3.36Å; L211-V214 PolarHBondContact O-N 2.86Å; L211-L215 HydrophobicContact CD2-CD2 4.36Å; L211-L215 HydrophobicContact CG-CB 4.35Å; L211-L215 HydrophobicContact CG-CD2 4.27Å; L211-L215 WeakPolarHBondContact O-CA 3.22Å; L211-L215 WeakPolarHBondContact O-CB 3.32Å; L211-L215 PolarHBondContact O-N 3.49Å; L211-L253 HydrophobicContact CD2-CB 3.91Å; L211-L253 HydrophobicContact CD2-CD1 4.26Å; L211-L253 HydrophobicContact CD2-CD2 4.38Å; L211-L253 HydrophobicContact CD2-CG 4.42Å; L211-W265 HydrophobicContact CB-CH2 4.39Å; L211-W265 HydrophobicContact CB-CZ2 4.49Å; L211-W265 HydrophobicContact CD2-CH2 3.98Å; L211-W265 HydrophobicContact CD2-CZ2 3.68Å
212L88.7Confident89Confident71 Ų7128.9 Ų28.937%0.37215%0.145SC..Hα-helixtrans-57.8-32.3177.9-69.7-179.5000113.1K208 F210 V214 P216K208-L212 HydrophobicContact CD-CD1 4.46Å; K208-L212 HydrophobicContact CG-CD1 3.93Å; K208-L212 HydrophobicContact CG-CG 4.14Å; K208-L212 WeakPolarHBondContact O-CB 3.47Å; K208-L212 WeakPolarHBondContact O-CG 3.31Å; K208-L212 PolarHBondContact O-N 3.27Å; F210-L212 PolarHBondContact O-N 3.25Å; L212-V214 VanDerWaalsContact C-N 3.32Å; L212-V214 PolarHBondContact O-N 2.87Å; L212-P216 WeakPolarHBondContact O-CD 3.35Å
213A85.7Confident88.6Confident19 Ų1930 Ų3016%0.15715%0.152CC..Hα-helixtrans-68.8-29.5177.200000113R167 Y177 N209 F210 L211R167-A213 VanDerWaalsContact CZ-O 3.31Å; R167-A213 PolarHBondContact NH1-O 3.31Å; R167-A213 PolarHBondContact NH2-O 2.91Å; Y177-A213 HydrophobicContact CD2-CB 4.04Å; Y177-A213 HydrophobicContact CE2-CB 4.19Å; N209-A213 PolarHBondContact O-N 3.06Å; F210-A213 WeakPolarHBondContact O-CB 3.46Å; F210-A213 PolarHBondContact O-N 3.4Å; F210-A213 VanDerWaalsContact O-N 3.13Å; L211-A213 PolarHBondContact O-N 3.34Å; L211-A213 VanDerWaalsContact O-N 3.16Å
214V89.5Confident88Confident1 Ų133.8 Ų33.81%0.00617%0.169CC..Hα-helixtrans-110-21.3-174.8-57.60000113.8Y159 I161 F210 L211 L212 E217 I218Y159-V214 HydrophobicContact CD1-CB 4.26Å; Y159-V214 HydrophobicContact CD1-CG1 4.39Å; Y159-V214 HydrophobicContact CE1-CB 4.08Å; Y159-V214 HydrophobicContact CE1-CG1 4.19Å; I161-V214 HydrophobicContact CB-CG1 4.45Å; I161-V214 HydrophobicContact CG2-CG1 3.51Å; F210-V214 HydrophobicContact CD1-CG2 4.08Å; F210-V214 HydrophobicContact CE1-CG1 4.36Å; F210-V214 HydrophobicContact CE1-CG2 3.8Å; F210-V214 HydrophobicContact CZ-CG1 4.29Å; F210-V214 HydrophobicContact CZ-CG2 4.48Å; F210-V214 WeakPolarHBondContact O-CG2 3.36Å; F210-V214 PolarHBondContact O-N 3.25Å; L211-V214 WeakPolarHBondContact O-CG2 3.36Å; L211-V214 PolarHBondContact O-N 2.86Å; L212-V214 VanDerWaalsContact C-N 3.32Å; L212-V214 PolarHBondContact O-N 2.87Å; V214-E217 PolarHBondContact O-N 3.46Å; V214-E217 VanDerWaalsContact O-N 3.16Å; V214-I218 HydrophobicContact CB-CD1 4.04Å; V214-I218 HydrophobicContact CB-CG1 4.47Å; V214-I218 HydrophobicContact CG2-CD1 3.58Å; V214-I218 HydrophobicContact CG2-CG1 4.47Å; V214-I218 WeakPolarHBondContact O-CG1 3.24Å; V214-I218 PolarHBondContact O-N 3.33Å
215L90.1Very high87.4Confident1 Ų132.5 Ų32.51%0.00516%0.16CC..Hα-helixtrans-59.5-41.3-170.6-176.357000113.8F152 L211 E217 I218 K219 C250 L253 E254F152-L215 HydrophobicContact CE2-CD1 3.75Å; F152-L215 HydrophobicContact CZ-CD1 3.82Å; L211-L215 HydrophobicContact CD2-CD2 4.36Å; L211-L215 HydrophobicContact CG-CB 4.35Å; L211-L215 HydrophobicContact CG-CD2 4.27Å; L211-L215 WeakPolarHBondContact O-CA 3.22Å; L211-L215 WeakPolarHBondContact O-CB 3.32Å; L211-L215 PolarHBondContact O-N 3.49Å; L215-E217 VanDerWaalsContact C-N 3.26Å; L215-E217 PolarHBondContact O-N 2.98Å; L215-I218 PolarHBondContact O-N 3.44Å; L215-K219 WeakPolarHBondContact O-CB 3.41Å; L215-K219 PolarHBondContact O-N 2.96Å; L215-C250 HydrophobicContact CD1-CB 4.43Å; L215-L253 HydrophobicContact CD2-CB 4.43Å; L215-E254 HydrophobicContact CD2-CG 3.42Å; L215-E254 VanDerWaalsContact CD2-CG 3.42Å; L215-E254 HydrophobicContact CG-CG 4.33Å
216P86.6Confident86.7Confident82 Ų8232.6 Ų32.653%0.53216%0.16SC..Hα-helixtrans-57.1-41177.2-26.835.7000112.9L212 R220L212-P216 WeakPolarHBondContact O-CD 3.35Å; P216-R220 WeakPolarHBondContact O-CB 3.49Å; P216-R220 PolarHBondContact O-N 3.25Å; P216-R220 VanDerWaalsContact O-N 3.12Å
217E85.4Confident85.7Confident56 Ų5638.5 Ų38.526%0.26219%0.186SC..Hα-helixtrans-78.7-36-178.4-177.757.4-166.600111.8Y159 V214 L215 R220 R221Y159-E217 HydrophobicContact CE2-CG 4.26Å; Y159-E217 WeakPolarHBondContact OH-CG 3.35Å; V214-E217 PolarHBondContact O-N 3.46Å; V214-E217 VanDerWaalsContact O-N 3.16Å; L215-E217 VanDerWaalsContact C-N 3.26Å; L215-E217 PolarHBondContact O-N 2.98Å; E217-R220 IonicContact OE1-CZ 3.76Å; E217-R220 IonicContact OE1-NE 3.74Å; E217-R220 IonicContact OE1-NH2 2.64Å; E217-R220 PolarHBondContact OE1-NH2 3.14Å; E217-R220 IonicContact OE2-CZ 2.65Å; E217-R220 IonicContact OE2-NE 3.62Å; E217-R220 PolarHBondContact OE2-NE 2.98Å; E217-R220 IonicContact OE2-NH2 3.53Å; E217-R220 PolarHBondContact OE2-NH2 2.94Å; E217-R221 WeakPolarHBondContact O-CB 3.42Å; E217-R221 VanDerWaalsContact O-CG 3.28Å; E217-R221 WeakPolarHBondContact O-CG 3.47Å; E217-R221 PolarHBondContact O-N 3.17Å; E217-R221 VanDerWaalsContact O-N 3.08Å; E217-R221 IonicContact OE1-CZ 3.92Å; E217-R221 IonicContact OE1-NE 2.72Å; E217-R221 PolarHBondContact OE1-NE 3.2Å; E217-R221 IonicContact OE1-NH2 3.6Å; E217-R221 PolarHBondContact OE1-NH2 2.61Å
218I87.9Confident84.7Confident0 Ų043.6 Ų43.60%021%0.209CC..Hα-helixtrans-63.2-48.5172.2-71.4178.9000110.9F152 Y155 V156 Y159 V214 L215 R220 R221 L222F152-I218 HydrophobicContact CE2-CG2 4.18Å; Y155-I218 HydrophobicContact CD1-CB 4.39Å; Y155-I218 HydrophobicContact CD1-CG1 4.18Å; Y155-I218 HydrophobicContact CD1-CG2 3.73Å; Y155-I218 HydrophobicContact CE1-CB 4.45Å; Y155-I218 HydrophobicContact CE1-CG1 4.22Å; Y155-I218 HydrophobicContact CE1-CG2 4.18Å; V156-I218 HydrophobicContact CB-CD1 4.47Å; V156-I218 HydrophobicContact CG2-CD1 3.84Å; Y159-I218 HydrophobicContact CD1-CD1 4.14Å; Y159-I218 HydrophobicContact CD1-CG1 4.13Å; Y159-I218 HydrophobicContact CD2-CG1 4.04Å; Y159-I218 HydrophobicContact CE1-CG1 4.4Å; Y159-I218 HydrophobicContact CE2-CG1 4.32Å; Y159-I218 HydrophobicContact CG-CD1 4.12Å; Y159-I218 HydrophobicContact CG-CG1 3.97Å; V214-I218 HydrophobicContact CB-CD1 4.04Å; V214-I218 HydrophobicContact CB-CG1 4.47Å; V214-I218 HydrophobicContact CG2-CD1 3.58Å; V214-I218 HydrophobicContact CG2-CG1 4.47Å; V214-I218 WeakPolarHBondContact O-CG1 3.24Å; V214-I218 PolarHBondContact O-N 3.33Å; L215-I218 PolarHBondContact O-N 3.44Å; I218-R220 PolarHBondContact O-N 3.28Å; I218-R221 PolarHBondContact O-N 3.48Å; I218-L222 HydrophobicContact CG2-CD1 3.71Å; I218-L222 HydrophobicContact CG2-CG 4.3Å; I218-L222 WeakPolarHBondContact O-CB 3.21Å; I218-L222 WeakPolarHBondContact O-CG 3.37Å; I218-L222 PolarHBondContact O-N 3.31Å
219K88.3Confident82.9Confident41 Ų4148.2 Ų48.218%0.17824%0.237CC..Hα-helixtrans-57.7-48.2178.4-174.1-179-166.1169.10110.6L215 R221 L222 V223 C250 N251 E254L215-K219 WeakPolarHBondContact O-CB 3.41Å; L215-K219 PolarHBondContact O-N 2.96Å; K219-R221 PolarHBondContact O-N 3.42Å; K219-L222 PolarHBondContact O-N 2.75Å; K219-V223 WeakPolarHBondContact O-CB 3.43Å; K219-V223 VanDerWaalsContact O-CG2 3.24Å; K219-V223 WeakPolarHBondContact O-CG2 3.23Å; K219-V223 PolarHBondContact O-N 2.76Å; K219-C250 HydrophobicContact CD-CB 4.03Å; K219-C250 HydrophobicContact CG-CB 4.32Å; K219-N251 PolarHBondContact NZ-OD1 2.89Å; K219-E254 IonicContact NZ-OE1 3.35Å; K219-E254 PolarHBondContact NZ-OE1 2.73Å; K219-E254 IonicContact NZ-OE2 2.9Å
220R86.6Confident81.3Confident101 Ų10146.1 Ų46.138%0.38123%0.228SC..Hα-helixtrans-56-50.8176.7-172.8-171.768.774.23.8111.7P216 E217 I218 V223 E224P216-R220 WeakPolarHBondContact O-CB 3.49Å; P216-R220 PolarHBondContact O-N 3.25Å; P216-R220 VanDerWaalsContact O-N 3.12Å; E217-R220 IonicContact OE1-CZ 3.76Å; E217-R220 IonicContact OE1-NE 3.74Å; E217-R220 IonicContact OE1-NH2 2.64Å; E217-R220 PolarHBondContact OE1-NH2 3.14Å; E217-R220 IonicContact OE2-CZ 2.65Å; E217-R220 IonicContact OE2-NE 3.62Å; E217-R220 PolarHBondContact OE2-NE 2.98Å; E217-R220 IonicContact OE2-NH2 3.53Å; E217-R220 PolarHBondContact OE2-NH2 2.94Å; I218-R220 PolarHBondContact O-N 3.28Å; R220-V223 PolarHBondContact O-N 3.42Å; R220-E224 IonicContact CZ-OE1 2.81Å; R220-E224 IonicContact CZ-OE2 3.55Å; R220-E224 IonicContact NH1-OE1 2.73Å; R220-E224 PolarHBondContact NH1-OE1 3.32Å; R220-E224 IonicContact NH1-OE2 3.73Å; R220-E224 PolarHBondContact NH1-OE2 3.49Å; R220-E224 WeakPolarHBondContact O-CG 3.47Å; R220-E224 PolarHBondContact O-N 3.01Å
221R85.1Confident79.3Confident58 Ų5854.1 Ų54.122%0.21927%0.269CS..Hα-helixtrans-67.1-40.5-177.9-72.4171173.3-120.2-1.3113.5Y155 E217 I218 K219 V223 E224 F225 N337Y155-R221 HydrophobicContact CE1-CB 4.4Å; Y155-R221 WeakPolarHBondContact OH-CB 3.49Å; Y155-R221 WeakPolarHBondContact OH-CD 3.26Å; E217-R221 WeakPolarHBondContact O-CB 3.42Å; E217-R221 VanDerWaalsContact O-CG 3.28Å; E217-R221 WeakPolarHBondContact O-CG 3.47Å; E217-R221 PolarHBondContact O-N 3.17Å; E217-R221 VanDerWaalsContact O-N 3.08Å; E217-R221 IonicContact OE1-CZ 3.92Å; E217-R221 IonicContact OE1-NE 2.72Å; E217-R221 PolarHBondContact OE1-NE 3.2Å; E217-R221 IonicContact OE1-NH2 3.6Å; E217-R221 PolarHBondContact OE1-NH2 2.61Å; I218-R221 PolarHBondContact O-N 3.48Å; K219-R221 PolarHBondContact O-N 3.42Å; R221-V223 VanDerWaalsContact C-N 3.35Å; R221-E224 PolarHBondContact O-N 2.81Å; R221-F225 WeakPolarHBondContact O-CB 2.82Å; R221-F225 PolarHBondContact O-N 2.92Å; R221-N337 PolarHBondContact NH1-ND2 3.48Å; R221-N337 PolarHBondContact NH1-OD1 2.95Å
222L84Confident77.3Confident1 Ų158.4 Ų58.41%0.00529%0.291CS..Hα-helixtrans-64.8-40.6176.1-74.7172.9000111.2F152 Y155 I218 K219 F225 F226 L246F152-L222 HydrophobicContact CD2-CD1 4.08Å; Y155-L222 HydrophobicContact CD1-CD1 4.48Å; Y155-L222 HydrophobicContact CD1-CD2 4.27Å; Y155-L222 HydrophobicContact CD1-CG 4.21Å; Y155-L222 HydrophobicContact CD2-CD2 3.86Å; Y155-L222 HydrophobicContact CE1-CG 4.44Å; Y155-L222 HydrophobicContact CE2-CD2 4.28Å; Y155-L222 HydrophobicContact CG-CD2 3.86Å; Y155-L222 HydrophobicContact CG-CG 4.29Å; I218-L222 HydrophobicContact CG2-CD1 3.71Å; I218-L222 HydrophobicContact CG2-CG 4.3Å; I218-L222 WeakPolarHBondContact O-CB 3.21Å; I218-L222 WeakPolarHBondContact O-CG 3.37Å; I218-L222 PolarHBondContact O-N 3.31Å; K219-L222 PolarHBondContact O-N 2.75Å; L222-F225 WeakPolarHBondContact O-CB 3.29Å; L222-F225 PolarHBondContact O-N 3.39Å; L222-F226 WeakPolarHBondContact O-CD2 3.2Å; L222-F226 PolarHBondContact O-N 3.5Å; L222-F226 VanDerWaalsContact O-N 3.09Å; L222-L246 HydrophobicContact CB-CD2 3.62Å; L222-L246 HydrophobicContact CD1-CD1 4.01Å; L222-L246 HydrophobicContact CD1-CD2 4.38Å
223V84.1Confident75.5Confident25 Ų2559.4 Ų59.415%0.15230%0.302CS..Hα-helixtrans-64.8-41.7175.1172.10000111.4K219 R220 R221 F226 K227 I243 L246K219-V223 WeakPolarHBondContact O-CB 3.43Å; K219-V223 VanDerWaalsContact O-CG2 3.24Å; K219-V223 WeakPolarHBondContact O-CG2 3.23Å; K219-V223 PolarHBondContact O-N 2.76Å; R220-V223 PolarHBondContact O-N 3.42Å; R221-V223 VanDerWaalsContact C-N 3.35Å; V223-F226 PolarHBondContact O-N 3.3Å; V223-K227 HydrophobicContact CG1-CD 4.27Å; V223-K227 WeakPolarHBondContact O-CG 3.5Å; V223-K227 PolarHBondContact O-N 2.76Å; V223-I243 HydrophobicContact CG1-CG2 4.38Å; V223-I243 HydrophobicContact CG2-CG2 4.36Å; V223-L246 HydrophobicContact CG2-CD2 4.16Å
224E82.5Confident73.9Confident80 Ų8062.4 Ų62.437%0.37432%0.321SS..Hα-helixtrans-62.5-42174-77.4169.2-170.200112R220 R221 F226 K227 Q228R220-E224 IonicContact CZ-OE1 2.81Å; R220-E224 IonicContact CZ-OE2 3.55Å; R220-E224 IonicContact NH1-OE1 2.73Å; R220-E224 PolarHBondContact NH1-OE1 3.32Å; R220-E224 IonicContact NH1-OE2 3.73Å; R220-E224 PolarHBondContact NH1-OE2 3.49Å; R220-E224 WeakPolarHBondContact O-CG 3.47Å; R220-E224 PolarHBondContact O-N 3.01Å; R221-E224 PolarHBondContact O-N 2.81Å; E224-F226 VanDerWaalsContact C-N 3.31Å; E224-F226 PolarHBondContact O-N 3.04Å; E224-K227 PolarHBondContact O-N 3.33Å; E224-Q228 WeakPolarHBondContact O-CG 3.38Å; E224-Q228 PolarHBondContact O-N 3.08Å
225F77.9Confident72.4Confident12 Ų1265.4 Ų65.45%0.05334%0.337CS..Hα-helixtrans-59.1-40.7176.1173.4-104.6000112.6R221 L222 K227 Q228 L329 L335R221-F225 WeakPolarHBondContact O-CB 2.82Å; R221-F225 PolarHBondContact O-N 2.92Å; L222-F225 WeakPolarHBondContact O-CB 3.29Å; L222-F225 PolarHBondContact O-N 3.39Å; F225-K227 VanDerWaalsContact C-N 3.27Å; F225-K227 PolarHBondContact O-N 3.19Å; F225-Q228 PolarHBondContact O-N 3.37Å; F225-L329 HydrophobicContact CE1-CD2 3.9Å; F225-L329 HydrophobicContact CZ-CD2 3.67Å; F225-L335 HydrophobicContact CB-CD2 4.06Å; F225-L335 HydrophobicContact CD1-CD1 4.48Å; F225-L335 HydrophobicContact CD1-CD2 4.07Å; F225-L335 HydrophobicContact CD2-CD1 3.94Å; F225-L335 HydrophobicContact CD2-CD2 3.42Å; F225-L335 VanDerWaalsContact CD2-CD2 3.42Å; F225-L335 HydrophobicContact CD2-CG 3.56Å; F225-L335 HydrophobicContact CE1-CD1 3.97Å; F225-L335 HydrophobicContact CE1-CD2 4.38Å; F225-L335 HydrophobicContact CE2-CD1 3.36Å; F225-L335 HydrophobicContact CE2-CD2 3.78Å; F225-L335 HydrophobicContact CE2-CG 3.43Å; F225-L335 VanDerWaalsContact CE2-CG 3.43Å; F225-L335 HydrophobicContact CG-CD1 4.46Å; F225-L335 HydrophobicContact CG-CD2 3.57Å; F225-L335 HydrophobicContact CG-CG 4.2Å; F225-L335 HydrophobicContact CZ-CD1 3.38Å; F225-L335 HydrophobicContact CZ-CD2 4.25Å; F225-L335 HydrophobicContact CZ-CG 3.98Å
226F76.1Confident70.8Confident1 Ų167.4 Ų67.40%0.00435%0.347CS..Hα-helixtrans-70.8-22.1175.4-72.2-58.4000113.6L148 L151 L222 V223 E224 K239 L242 I243 L246L148-F226 HydrophobicContact CD2-CE2 4.47Å; L148-F226 HydrophobicContact CD2-CZ 4.07Å; L151-F226 HydrophobicContact CD2-CE1 4.44Å; L151-F226 HydrophobicContact CD2-CE2 4.33Å; L151-F226 HydrophobicContact CD2-CZ 3.59Å; L222-F226 WeakPolarHBondContact O-CD2 3.2Å; L222-F226 PolarHBondContact O-N 3.5Å; L222-F226 VanDerWaalsContact O-N 3.09Å; V223-F226 PolarHBondContact O-N 3.3Å; E224-F226 VanDerWaalsContact C-N 3.31Å; E224-F226 PolarHBondContact O-N 3.04Å; F226-K239 HydrophobicContact CD1-CB 4.23Å; F226-K239 HydrophobicContact CD1-CG 4.31Å; F226-L242 HydrophobicContact CD1-CB 4.33Å; F226-L242 HydrophobicContact CD1-CD1 4.11Å; F226-L242 HydrophobicContact CE1-CB 4.12Å; F226-L242 HydrophobicContact CE1-CD1 3.54Å; F226-L242 HydrophobicContact CE1-CG 4.49Å; F226-L242 HydrophobicContact CZ-CB 4.25Å; F226-L242 HydrophobicContact CZ-CD1 4.15Å; F226-I243 HydrophobicContact CB-CD1 4.3Å; F226-I243 HydrophobicContact CB-CG1 3.92Å; F226-L246 HydrophobicContact CD2-CD2 4.16Å; F226-L246 HydrophobicContact CE2-CD2 3.96Å
227K74.7Confident69.6Low129 Ų12968 Ų6856%0.56135%0.346SS*.Hα-helixtrans-87.4-19.4177.3-71.7177.2178.4-175.70114.1V223 E224 F225 I243V223-K227 HydrophobicContact CG1-CD 4.27Å; V223-K227 WeakPolarHBondContact O-CG 3.5Å; V223-K227 PolarHBondContact O-N 2.76Å; E224-K227 PolarHBondContact O-N 3.33Å; F225-K227 VanDerWaalsContact C-N 3.27Å; F225-K227 PolarHBondContact O-N 3.19Å; K227-I243 HydrophobicContact CG-CD1 4.08Å
228Q68.1Low68.6Low107 Ų10766.9 Ų66.950%0.535%0.346SS..SBendtrans-69.6140.5-175-83.2176.5-7.200113.3E224 F225 S230E224-Q228 WeakPolarHBondContact O-CG 3.38Å; E224-Q228 PolarHBondContact O-N 3.08Å; F225-Q228 PolarHBondContact O-N 3.37Å; Q228-S230 PolarHBondContact O-N 3.48Å
229D52Low67.7Low154 Ų15467.9 Ų67.982%0.82435%0.351SS*.  trans-50.7103.3-169-74.9-37000113.2
230S51.1Low66.9Low27 Ų2769.8 Ų69.819%0.18936%0.362CS..  trans-87.6124155.8-52.20000105.9Q228 I232 K239Q228-S230 PolarHBondContact O-N 3.48Å; S230-I232 PolarHBondContact O-N 3.4Å; S230-K239 PolarHBondContact OG-NZ 2.9Å
231I48.4Very low66.4Low171 Ų17171.6 Ų71.688%0.87738%0.375SS*.SBendtrans-55.4-11.3-176.1-59.9168.8000112.7
232I49.6Very low66.2Low89 Ų8970.1 Ų70.146%0.45637%0.371SS..SBendtrans-113.4112.9-176.1-53174.3000109.2S230 S234 I235 L236S230-I232 PolarHBondContact O-N 3.4Å; I232-S234 VanDerWaalsContact C-N 3.27Å; I232-S234 VanDerWaalsContact CG2-OG 3.27Å; I232-S234 WeakPolarHBondContact CG2-OG 3.34Å; I232-S234 PolarHBondContact O-N 3.25Å; I232-I235 HydrophobicContact CB-CD1 4.04Å; I232-I235 HydrophobicContact CB-CG1 4.18Å; I232-I235 HydrophobicContact CD1-CD1 3.88Å; I232-I235 HydrophobicContact CG1-CD1 4.45Å; I232-I235 HydrophobicContact CG2-CD1 4.43Å; I232-I235 HydrophobicContact CG2-CG1 4.27Å; I232-I235 PolarHBondContact O-N 2.93Å; I232-I235 VanDerWaalsContact O-N 3.08Å; I232-L236 PolarHBondContact O-N 3.3Å
233P52.2Low66.1Low93 Ų9371.6 Ų71.660%0.60438%0.378SS*.Hα-helixtrans-54.1-36.8-179.1-2935.2000114.6I235 L236 D237P233-I235 VanDerWaalsContact C-N 3.26Å; P233-I235 PolarHBondContact O-N 2.95Å; P233-L236 WeakPolarHBondContact O-CB 3.43Å; P233-L236 PolarHBondContact O-N 2.78Å; P233-L236 VanDerWaalsContact O-N 3.1Å; P233-D237 PolarHBondContact O-N 3.47Å
234S50.9Low66Low81 Ų8178 Ų7857%0.56641%0.406SS*.Hα-helixtrans-64-28.5179.660.60000113.9I232 A238I232-S234 VanDerWaalsContact C-N 3.27Å; I232-S234 VanDerWaalsContact CG2-OG 3.27Å; I232-S234 WeakPolarHBondContact CG2-OG 3.34Å; I232-S234 PolarHBondContact O-N 3.25Å; S234-A238 PolarHBondContact O-N 3.37Å
235I58.1Low66Low64 Ų6476.1 Ų76.133%0.32840%0.402SS..Hα-helixtrans-78.6-36.1175.4-61.3178.8000110.2I232 P233 A238 K239I232-I235 HydrophobicContact CB-CD1 4.04Å; I232-I235 HydrophobicContact CB-CG1 4.18Å; I232-I235 HydrophobicContact CD1-CD1 3.88Å; I232-I235 HydrophobicContact CG1-CD1 4.45Å; I232-I235 HydrophobicContact CG2-CD1 4.43Å; I232-I235 HydrophobicContact CG2-CG1 4.27Å; I232-I235 PolarHBondContact O-N 2.93Å; I232-I235 VanDerWaalsContact O-N 3.08Å; P233-I235 VanDerWaalsContact C-N 3.26Å; P233-I235 PolarHBondContact O-N 2.95Å; I235-A238 PolarHBondContact O-N 3.33Å; I235-K239 HydrophobicContact CG2-CD 4.24Å; I235-K239 HydrophobicContact CG2-CG 4.43Å; I235-K239 WeakPolarHBondContact O-CB 3.28Å; I235-K239 WeakPolarHBondContact O-CG 2.92Å; I235-K239 PolarHBondContact O-N 3.08Å
236L57Low66.4Low44 Ų4475.7 Ų75.723%0.2340%0.4CS..Hα-helixtrans-64.5-44.7176.9-175.464000110.9I232 P233 A238 K239 I240I232-L236 PolarHBondContact O-N 3.3Å; P233-L236 WeakPolarHBondContact O-CB 3.43Å; P233-L236 PolarHBondContact O-N 2.78Å; P233-L236 VanDerWaalsContact O-N 3.1Å; L236-A238 VanDerWaalsContact C-N 3.34Å; L236-A238 PolarHBondContact O-N 2.87Å; L236-K239 PolarHBondContact O-N 3.02Å; L236-K239 VanDerWaalsContact O-N 3.15Å; L236-I240 HydrophobicContact CD1-CD1 4.38Å; L236-I240 HydrophobicContact CD1-CG1 4.5Å; L236-I240 HydrophobicContact CG-CD1 3.99Å; L236-I240 WeakPolarHBondContact O-CG1 3.34Å; L236-I240 PolarHBondContact O-N 3.14Å
237D61.4Low66.8Low93 Ų9377.8 Ų77.850%0.49741%0.413SS..Hα-helixtrans-57.9-48175.2-70.1-27.4000110.8P233 K239 I240 H241P233-D237 PolarHBondContact O-N 3.47Å; D237-K239 VanDerWaalsContact C-N 3.32Å; D237-K239 PolarHBondContact O-N 2.73Å; D237-I240 PolarHBondContact O-N 2.78Å; D237-H241 PolarHBondContact O-CD2 2.84Å; D237-H241 PolarHBondContact O-N 3.27Å
238A65.1Low67.3Low33 Ų3375.9 Ų75.927%0.27340%0.402SS..Hα-helixtrans-60-38176.200000113.1S234 I235 L236 L324S234-A238 PolarHBondContact O-N 3.37Å; I235-A238 PolarHBondContact O-N 3.33Å; L236-A238 VanDerWaalsContact C-N 3.34Å; L236-A238 PolarHBondContact O-N 2.87Å; A238-L324 HydrophobicContact CB-CD1 4.17Å
239K69.1Low68.2Low22 Ų2271 Ų7110%0.09638%0.379CS..Hα-helixtrans-70.5-39.1176.7-77.8178172-174.60112.8F226 S230 I235 L236 D237 H241 L242F226-K239 HydrophobicContact CD1-CB 4.23Å; F226-K239 HydrophobicContact CD1-CG 4.31Å; S230-K239 PolarHBondContact OG-NZ 2.9Å; I235-K239 HydrophobicContact CG2-CD 4.24Å; I235-K239 HydrophobicContact CG2-CG 4.43Å; I235-K239 WeakPolarHBondContact O-CB 3.28Å; I235-K239 WeakPolarHBondContact O-CG 2.92Å; I235-K239 PolarHBondContact O-N 3.08Å; L236-K239 PolarHBondContact O-N 3.02Å; L236-K239 VanDerWaalsContact O-N 3.15Å; D237-K239 VanDerWaalsContact C-N 3.32Å; D237-K239 PolarHBondContact O-N 2.73Å; K239-H241 PolarHBondContact O-N 2.77Å; K239-L242 WeakPolarHBondContact O-CB 3.34Å; K239-L242 PolarHBondContact O-N 3.24Å
240I71.6Confident70Confident80 Ų8063.7 Ų63.741%0.4134%0.34SS..Hα-helixtrans-61.8-37.3177.3-71.2168.5000110.2L236 D237 L242 I243L236-I240 HydrophobicContact CD1-CD1 4.38Å; L236-I240 HydrophobicContact CD1-CG1 4.5Å; L236-I240 HydrophobicContact CG-CD1 3.99Å; L236-I240 WeakPolarHBondContact O-CG1 3.34Å; L236-I240 PolarHBondContact O-N 3.14Å; D237-I240 PolarHBondContact O-N 2.78Å; I240-L242 PolarHBondContact O-N 2.78Å; I240-I243 WeakPolarHBondContact O-CB 3.4Å; I240-I243 PolarHBondContact O-N 2.84Å; I240-I243 VanDerWaalsContact O-N 3.11Å
241H75.9Confident71.7Confident140 Ų14065.5 Ų65.565%0.64835%0.348SS*.Hα-helixtrans-62.1-19.5174.2-71-62.6000114.1D237 K239 P245D237-H241 PolarHBondContact O-CD2 2.84Å; D237-H241 PolarHBondContact O-N 3.27Å; K239-H241 PolarHBondContact O-N 2.77Å; H241-P245 WeakPolarHBondContact O-CD 3.45Å
242L79.7Confident73.5Confident27 Ų2758.2 Ų58.214%0.14131%0.311CS..Hα-helixtrans-81.1-18.1175.8-60.7175.7000113.7I144 L148 F226 K239 I240 Q244 P245 L246I144-L242 HydrophobicContact CG2-CD2 3.54Å; L148-L242 HydrophobicContact CD1-CD2 4.38Å; L148-L242 HydrophobicContact CD2-CB 4.38Å; F226-L242 HydrophobicContact CD1-CB 4.33Å; F226-L242 HydrophobicContact CD1-CD1 4.11Å; F226-L242 HydrophobicContact CE1-CB 4.12Å; F226-L242 HydrophobicContact CE1-CD1 3.54Å; F226-L242 HydrophobicContact CE1-CG 4.49Å; F226-L242 HydrophobicContact CZ-CB 4.25Å; F226-L242 HydrophobicContact CZ-CD1 4.15Å; K239-L242 WeakPolarHBondContact O-CB 3.34Å; K239-L242 PolarHBondContact O-N 3.24Å; I240-L242 PolarHBondContact O-N 2.78Å; L242-Q244 VanDerWaalsContact C-N 3.34Å; L242-Q244 PolarHBondContact O-N 3.1Å; L242-P245 WeakPolarHBondContact O-CD 3.3Å; L242-L246 WeakPolarHBondContact O-CB 3.3Å; L242-L246 PolarHBondContact O-N 3.43Å
243I82.2Confident75.3Confident31 Ų3154 Ų5416%0.15929%0.289CS..Hα-helixtrans-64.5-40-177.7-63.4176.1000111V223 F226 K227 I240 T247V223-I243 HydrophobicContact CG1-CG2 4.38Å; V223-I243 HydrophobicContact CG2-CG2 4.36Å; F226-I243 HydrophobicContact CB-CD1 4.3Å; F226-I243 HydrophobicContact CB-CG1 3.92Å; K227-I243 HydrophobicContact CG-CD1 4.08Å; I240-I243 WeakPolarHBondContact O-CB 3.4Å; I240-I243 PolarHBondContact O-N 2.84Å; I240-I243 VanDerWaalsContact O-N 3.11Å; I243-T247 WeakPolarHBondContact O-CB 3.44Å; I243-T247 PolarHBondContact O-N 2.8Å; I243-T247 PolarHBondContact O-OG1 2.94Å
244Q82.2Confident76.9Confident159 Ų15952.2 Ų52.274%0.74327%0.272SS*.Hα-helixtrans-67.4-51.3-179172.1-176.1-0.600112L242 L246 T247 R248L242-Q244 VanDerWaalsContact C-N 3.34Å; L242-Q244 PolarHBondContact O-N 3.1Å; Q244-L246 PolarHBondContact O-N 2.89Å; Q244-T247 PolarHBondContact O-N 2.89Å; Q244-R248 PolarHBondContact O-N 3.1Å
245P83.5Confident77.8Confident42 Ų4250.2 Ų50.227%0.27326%0.256SS..Hα-helixtrans-57.8-41.5172.6-2835.8000113.9L148 H241 L242 T247 R248 L249L148-P245 HydrophobicContact CD1-CB 3.46Å; L148-P245 VanDerWaalsContact CD1-CB 3.46Å; L148-P245 HydrophobicContact CD1-CG 4.4Å; H241-P245 WeakPolarHBondContact O-CD 3.45Å; L242-P245 WeakPolarHBondContact O-CD 3.3Å; P245-T247 PolarHBondContact O-N 3.29Å; P245-R248 PolarHBondContact O-N 2.81Å; P245-L249 PolarHBondContact O-N 2.9Å
246L85.5Confident77.6Confident2 Ų253 Ų531%0.0127%0.271CS..Hα-helixtrans-60.1-46.7174.9175.270.3000111.5L222 V223 F226 L242 Q244 R248 L249 C250L222-L246 HydrophobicContact CB-CD2 3.62Å; L222-L246 HydrophobicContact CD1-CD1 4.01Å; L222-L246 HydrophobicContact CD1-CD2 4.38Å; V223-L246 HydrophobicContact CG2-CD2 4.16Å; F226-L246 HydrophobicContact CD2-CD2 4.16Å; F226-L246 HydrophobicContact CE2-CD2 3.96Å; L242-L246 WeakPolarHBondContact O-CB 3.3Å; L242-L246 PolarHBondContact O-N 3.43Å; Q244-L246 PolarHBondContact O-N 2.89Å; L246-R248 VanDerWaalsContact C-N 3.29Å; L246-R248 PolarHBondContact O-N 2.97Å; L246-L249 WeakPolarHBondContact O-CB 3.37Å; L246-L249 PolarHBondContact O-N 2.86Å; L246-C250 PolarHBondContact O-N 3Å; L246-C250 PolarHBondContact O-SG 3.03Å; L246-C250 VanDerWaalsContact O-SG 3.38Å
247T85.4Confident77.4Confident46 Ų4653.6 Ų53.628%0.28227%0.274SS..Hα-helixtrans-62-40.2-179.8-58.50000110.9I243 Q244 P245 C250 N251I243-T247 WeakPolarHBondContact O-CB 3.44Å; I243-T247 PolarHBondContact O-N 2.8Å; I243-T247 PolarHBondContact O-OG1 2.94Å; Q244-T247 PolarHBondContact O-N 2.89Å; P245-T247 PolarHBondContact O-N 3.29Å; T247-C250 PolarHBondContact O-N 2.84Å; T247-N251 WeakPolarHBondContact O-CB 3.35Å; T247-N251 PolarHBondContact O-N 3.32Å; T247-N251 PolarHBondContact O-ND2 2.84Å; T247-N251 PolarHBondContact O-OD1 3.25Å
248R84.8Confident76.8Confident89 Ų8957.5 Ų57.534%0.33630%0.295SS..Hα-helixtrans-61.5-46.1174.4-175.6177.6177.8-178.5-1.9111.7T137 D138 Q244 P245 L246 N251 L252T137-R248 PolarHBondContact OG1-NH2 3.36Å; D138-R248 IonicContact OD2-NH1 2.99Å; D138-R248 PolarHBondContact OD2-NH1 3.13Å; Q244-R248 PolarHBondContact O-N 3.1Å; P245-R248 PolarHBondContact O-N 2.81Å; L246-R248 VanDerWaalsContact C-N 3.29Å; L246-R248 PolarHBondContact O-N 2.97Å; R248-N251 PolarHBondContact O-N 3.03Å; R248-L252 WeakPolarHBondContact O-CG 3.35Å; R248-L252 PolarHBondContact O-N 3.26Å; R248-L252 VanDerWaalsContact O-N 3.1Å
249L87.6Confident76.3Confident4 Ų459.8 Ų59.82%0.02130%0.302CS..Hα-helixtrans-58.5-49.1175.2176.463.9000111.5A130 F152 P245 L246 N251 L252 L253A130-L249 HydrophobicContact CB-CD1 3.8Å; F152-L249 HydrophobicContact CB-CD2 4.17Å; F152-L249 HydrophobicContact CG-CD2 4.28Å; P245-L249 PolarHBondContact O-N 2.9Å; L246-L249 WeakPolarHBondContact O-CB 3.37Å; L246-L249 PolarHBondContact O-N 2.86Å; L249-N251 VanDerWaalsContact C-N 3.33Å; L249-N251 PolarHBondContact O-N 2.69Å; L249-L252 PolarHBondContact O-N 3.16Å; L249-L253 HydrophobicContact CD1-CD1 4.1Å; L249-L253 HydrophobicContact CD1-CG 4.44Å; L249-L253 HydrophobicContact CG-CD1 4.05Å; L249-L253 WeakPolarHBondContact O-CG 3.38Å; L249-L253 PolarHBondContact O-N 3.21Å; L249-L253 VanDerWaalsContact O-N 3.11Å
250C88.4Confident75.6Confident0 Ų067.2 Ų67.20%034%0.335CS..Hα-helixtrans-60.3-41.7178.3-66.40000112.1L215 K219 L246 T247 L252 L253 E254L215-C250 HydrophobicContact CD1-CB 4.43Å; K219-C250 HydrophobicContact CD-CB 4.03Å; K219-C250 HydrophobicContact CG-CB 4.32Å; L246-C250 PolarHBondContact O-N 3Å; L246-C250 PolarHBondContact O-SG 3.03Å; L246-C250 VanDerWaalsContact O-SG 3.38Å; T247-C250 PolarHBondContact O-N 2.84Å; C250-L252 VanDerWaalsContact C-N 3.34Å; C250-L252 PolarHBondContact O-N 3.46Å; C250-L253 PolarHBondContact O-N 2.97Å; C250-E254 WeakPolarHBondContact O-CG 3.25Å; C250-E254 PolarHBondContact O-N 3.16Å
251N86.5Confident74.9Confident66 Ų6667.5 Ų67.535%0.35334%0.34SS..Hα-helixtrans-66.5-34.7-179.8-67.3-6.6000112.6K219 T247 R248 L249K219-N251 PolarHBondContact NZ-OD1 2.89Å; T247-N251 WeakPolarHBondContact O-CB 3.35Å; T247-N251 PolarHBondContact O-N 3.32Å; T247-N251 PolarHBondContact O-ND2 2.84Å; T247-N251 PolarHBondContact O-OD1 3.25Å; R248-N251 PolarHBondContact O-N 3.03Å; L249-N251 VanDerWaalsContact C-N 3.33Å; L249-N251 PolarHBondContact O-N 2.69Å
252L86.7Confident74.3Confident18 Ų1862.5 Ų62.59%0.09432%0.319CS..Hα-helixtrans-65.3-40172.2-71.1170.1000111.5A130 F133 C134 R248 L249 C250 D255 I257 V264A130-L252 HydrophobicContact CB-CB 4.47Å; F133-L252 HydrophobicContact CD1-CD1 3.78Å; F133-L252 HydrophobicContact CD1-CD2 3.78Å; F133-L252 HydrophobicContact CD1-CG 4.47Å; F133-L252 HydrophobicContact CE1-CD1 4.33Å; F133-L252 HydrophobicContact CE1-CD2 3.68Å; F133-L252 HydrophobicContact CZ-CD2 4.4Å; C134-L252 WeakPolarHBondContact SG-CD1 3.09Å; R248-L252 WeakPolarHBondContact O-CG 3.35Å; R248-L252 PolarHBondContact O-N 3.26Å; R248-L252 VanDerWaalsContact O-N 3.1Å; L249-L252 PolarHBondContact O-N 3.16Å; C250-L252 VanDerWaalsContact C-N 3.34Å; C250-L252 PolarHBondContact O-N 3.46Å; L252-D255 PolarHBondContact O-N 3.21Å; L252-I257 HydrophobicContact CD2-CD1 4.33Å; L252-V264 WeakPolarHBondContact O-CG2 3.5Å
253L88.4Confident74.4Confident0 Ų061.6 Ų61.60%032%0.316CS..Hα-helixtrans-73.9-27.8178.8-66.7169.4000113.3A126 V127 A130 F152 L211 L215 L249 C250 D255 V264 W265A126-L253 HydrophobicContact CB-CD2 4.1Å; V127-L253 HydrophobicContact CG2-CD1 3.98Å; V127-L253 HydrophobicContact CG2-CD2 3.96Å; A130-L253 HydrophobicContact CB-CD2 4.33Å; F152-L253 HydrophobicContact CD1-CD1 4.25Å; F152-L253 HydrophobicContact CE1-CD1 3.52Å; F152-L253 HydrophobicContact CE2-CD1 4.4Å; F152-L253 HydrophobicContact CZ-CD1 3.6Å; L211-L253 HydrophobicContact CD2-CB 3.91Å; L211-L253 HydrophobicContact CD2-CD1 4.26Å; L211-L253 HydrophobicContact CD2-CD2 4.38Å; L211-L253 HydrophobicContact CD2-CG 4.42Å; L215-L253 HydrophobicContact CD2-CB 4.43Å; L249-L253 HydrophobicContact CD1-CD1 4.1Å; L249-L253 HydrophobicContact CD1-CG 4.44Å; L249-L253 HydrophobicContact CG-CD1 4.05Å; L249-L253 WeakPolarHBondContact O-CG 3.38Å; L249-L253 PolarHBondContact O-N 3.21Å; L249-L253 VanDerWaalsContact O-N 3.11Å; C250-L253 PolarHBondContact O-N 2.97Å; L253-D255 PolarHBondContact O-N 3.44Å; L253-V264 HydrophobicContact CD2-CG2 4.34Å; L253-W265 HydrophobicContact CD2-CZ2 4.41Å; L253-W265 PolarHBondContact O-NE1 3.32Å
254E84.3Confident74.5Confident55 Ų5560.2 Ų60.226%0.25731%0.308SS..Hα-helixtrans-68.1-18.1174.2-76.3169.9-153.700112.8L215 K219 C250L215-E254 HydrophobicContact CD2-CG 3.42Å; L215-E254 VanDerWaalsContact CD2-CG 3.42Å; L215-E254 HydrophobicContact CG-CG 4.33Å; K219-E254 IonicContact NZ-OE1 3.35Å; K219-E254 PolarHBondContact NZ-OE1 2.73Å; K219-E254 IonicContact NZ-OE2 2.9Å; C250-E254 WeakPolarHBondContact O-CG 3.25Å; C250-E254 PolarHBondContact O-N 3.16Å
255D70.4Confident74.6Confident40 Ų4053.5 Ų53.521%0.21428%0.276CS..THydrogen-bonded Turntrans69.852.9175.6-143.129.8000113.9K208 L252 L253 I257 S263K208-D255 IonicContact NZ-OD2 2.99Å; K208-D255 PolarHBondContact NZ-OD2 3.5Å; L252-D255 PolarHBondContact O-N 3.21Å; L253-D255 PolarHBondContact O-N 3.44Å; D255-I257 VanDerWaalsContact C-N 3.27Å; D255-I257 PolarHBondContact O-N 3.4Å; D255-S263 VanDerWaalsContact CG-OG 3.29Å; D255-S263 WeakPolarHBondContact OD1-CB 3.49Å; D255-S263 PolarHBondContact OD1-OG 3.27Å; D255-S263 PolarHBondContact OD2-OG 3.49Å
256N54.3Low74.3Confident123 Ų12353.4 Ų53.466%0.65827%0.273SS*.  trans-87.937.2173.9-72-58.1000113.1
257I53.3Low73.7Confident56 Ų5658 Ų5829%0.28730%0.303SS..  trans-115.8122.3-177.5-46.3174.1000110.1L252 D255 D259 T262L252-I257 HydrophobicContact CD2-CD1 4.33Å; D255-I257 VanDerWaalsContact C-N 3.27Å; D255-I257 PolarHBondContact O-N 3.4Å; I257-D259 HydrophobicContact CG2-CB 4.44Å; I257-D259 PolarHBondContact O-N 2.63Å; I257-T262 WeakPolarHBondContact CG2-OG1 3.28Å
258D47.3Very low73.1Confident174 Ų17464 Ų6493%0.9332%0.322SS*.SBendtrans-62.9-25.9179.3-69.3-41.3000112.8
259D55.1Low72.6Confident81 Ų8160.9 Ų60.943%0.43331%0.311SS..  trans-94.7106.9179.5-169.9-12.5000111.9I257 T261 T262I257-D259 HydrophobicContact CG2-CB 4.44Å; I257-D259 PolarHBondContact O-N 2.63Å; D259-T261 PolarHBondContact O-N 2.97Å; D259-T261 VanDerWaalsContact O-N 3.11Å; D259-T261 WeakPolarHBondContact OD1-CB 3.24Å; D259-T261 PolarHBondContact OD1-N 3.31Å; D259-T261 PolarHBondContact OD1-OG1 2.87Å; D259-T261 PolarHBondContact OD2-OG1 3.4Å; D259-T262 PolarHBondContact O-N 3.48Å; D259-T262 VanDerWaalsContact O-N 3.13Å; D259-T262 PolarHBondContact O-OG1 2.94Å
260K55.6Low71.7Confident179 Ų17968 Ų6878%0.77834%0.344SS*.G310 helixtrans-55.4-27.1178.4-68.8-176.9-179.9176.10113.8T262 S263K260-T262 VanDerWaalsContact C-N 3.32Å; K260-S263 WeakPolarHBondContact O-CB 3.34Å; K260-S263 PolarHBondContact O-N 2.86Å
261T55.9Low70.6Confident85 Ų8569.1 Ų69.152%0.52135%0.352SS..G310 helixtrans-75.2-23.1-177.464.70000113.3D259D259-T261 PolarHBondContact O-N 2.97Å; D259-T261 VanDerWaalsContact O-N 3.11Å; D259-T261 WeakPolarHBondContact OD1-CB 3.24Å; D259-T261 PolarHBondContact OD1-N 3.31Å; D259-T261 PolarHBondContact OD1-OG1 2.87Å; D259-T261 PolarHBondContact OD2-OG1 3.4Å
262T62.9Low69.6Low35 Ų3568.4 Ų68.422%0.21535%0.35CS..G310 helixtrans-95.4-3.1177.862.70000112.9I257 D259 K260 V264I257-T262 WeakPolarHBondContact CG2-OG1 3.28Å; D259-T262 PolarHBondContact O-N 3.48Å; D259-T262 VanDerWaalsContact O-N 3.13Å; D259-T262 PolarHBondContact O-OG1 2.94Å; K260-T262 VanDerWaalsContact C-N 3.32Å; T262-V264 PolarHBondContact O-N 3.44Å
263S81.2Confident68.4Low9 Ų973.8 Ų73.86%0.06338%0.378CS..  trans-63.8127.7177178.10000110.3D255 K260 W265 D266 F269D255-S263 VanDerWaalsContact CG-OG 3.29Å; D255-S263 WeakPolarHBondContact OD1-CB 3.49Å; D255-S263 PolarHBondContact OD1-OG 3.27Å; D255-S263 PolarHBondContact OD2-OG 3.49Å; K260-S263 WeakPolarHBondContact O-CB 3.34Å; K260-S263 PolarHBondContact O-N 2.86Å; S263-W265 PolarHBondContact O-N 3.33Å; S263-W265 PolarHBondContact OG-N 3.45Å; S263-D266 WeakPolarHBondContact O-CB 3.25Å; S263-D266 PolarHBondContact O-N 2.94Å; S263-F269 WeakPolarHBondContact O-CD2 3.28Å
264V85.2Confident66.9Low1 Ų180.2 Ų80.21%0.00640%0.403CS..THydrogen-bonded Turntrans-61.8-14.4174.6-61.50000112.6A126 N129 A130 L252 L253 T262 F269A126-V264 HydrophobicContact CB-CG2 4.48Å; N129-V264 HydrophobicContact CB-CB 3.9Å; N129-V264 HydrophobicContact CB-CG1 4.24Å; N129-V264 PolarHBondContact ND2-O 2.88Å; A130-V264 HydrophobicContact CB-CG1 4.01Å; L252-V264 WeakPolarHBondContact O-CG2 3.5Å; L253-V264 HydrophobicContact CD2-CG2 4.34Å; T262-V264 PolarHBondContact O-N 3.44Å; V264-F269 HydrophobicContact CG1-CE2 4.37Å
265W85.1Confident65.3Low19 Ų1984 Ų847%0.07243%0.432CS..THydrogen-bonded Turntrans-92.6-0.3176.6-60.9102.3000113.9P121 I123 A126 K208 L211 L253 S263 P267P121-W265 WeakPolarHBondContact CD-O 3.26Å; P121-W265 WeakPolarHBondContact CG-O 3.11Å; I123-W265 HydrophobicContact CG1-CH2 4.11Å; A126-W265 HydrophobicContact CB-CD2 3.81Å; A126-W265 HydrophobicContact CB-CE3 3.55Å; A126-W265 HydrophobicContact CB-CH2 3.52Å; A126-W265 HydrophobicContact CB-CZ2 3.78Å; A126-W265 HydrophobicContact CB-CZ3 3.39Å; K208-W265 VanDerWaalsContact CA-CH2 3.49Å; K208-W265 HydrophobicContact CB-CD2 3.73Å; K208-W265 HydrophobicContact CB-CE3 3.73Å; K208-W265 HydrophobicContact CB-CG 4.37Å; K208-W265 HydrophobicContact CB-CH2 4.04Å; K208-W265 HydrophobicContact CB-CZ2 4.02Å; K208-W265 HydrophobicContact CB-CZ3 3.9Å; K208-W265 HydrophobicContact CD-CD2 4.14Å; K208-W265 HydrophobicContact CD-CG 3.93Å; K208-W265 HydrophobicContact CG-CD2 4Å; K208-W265 HydrophobicContact CG-CG 4.32Å; K208-W265 HydrophobicContact CG-CZ2 4.15Å; L211-W265 HydrophobicContact CB-CH2 4.39Å; L211-W265 HydrophobicContact CB-CZ2 4.49Å; L211-W265 HydrophobicContact CD2-CH2 3.98Å; L211-W265 HydrophobicContact CD2-CZ2 3.68Å; L253-W265 HydrophobicContact CD2-CZ2 4.41Å; L253-W265 PolarHBondContact O-NE1 3.32Å; S263-W265 PolarHBondContact O-N 3.33Å; S263-W265 PolarHBondContact OG-N 3.45Å; W265-P267 WeakPolarHBondContact O-CD 3.11Å
266D76.5Confident64.4Low39 Ų3989 Ų8921%0.20946%0.458CS..  trans-69.4122.4172.6-171.9-12.1000109.9S263 Y268 F269S263-D266 WeakPolarHBondContact O-CB 3.25Å; S263-D266 PolarHBondContact O-N 2.94Å; D266-Y268 PolarHBondContact O-N 3.5Å; D266-Y268 VanDerWaalsContact O-N 3.08Å; D266-Y268 PolarHBondContact OD1-N 3.27Å; D266-F269 HydrophobicContact CB-CB 4.35Å; D266-F269 VanDerWaalsContact O-CB 3.32Å; D266-F269 WeakPolarHBondContact O-CB 3.37Å; D266-F269 PolarHBondContact O-N 2.98Å
267P73Confident64.4Low98 Ų9886.5 Ų86.564%0.63645%0.445SS*.THydrogen-bonded Turntrans-54.7-23171.4-24.834.1000114.3P121 W265P121-P267 HydrophobicContact CG-CG 4.24Å; W265-P267 WeakPolarHBondContact O-CD 3.11Å
268Y73.2Confident64.2Low173 Ų17390.7 Ų90.768%0.67847%0.473SS*.THydrogen-bonded Turntrans-107.117.9178.8-54.7-73.2000113.1D266 Q270D266-Y268 PolarHBondContact O-N 3.5Å; D266-Y268 VanDerWaalsContact O-N 3.08Å; D266-Y268 PolarHBondContact OD1-N 3.27Å; Y268-Q270 WeakPolarHBondContact O-CG 3.32Å; Y268-Q270 PolarHBondContact O-N 3.36Å
269F74Confident64.4Low24 Ų2487 Ų8711%0.10545%0.453CS..  trans-39.9122.5-177.7174-100000112.6N129 L132 F133 S263 V264 D266 P271N129-F269 HydrophobicContact CB-CD1 3.67Å; N129-F269 HydrophobicContact CB-CD2 4.41Å; N129-F269 HydrophobicContact CB-CE1 3.8Å; N129-F269 HydrophobicContact CB-CG 3.99Å; N129-F269 HydrophobicContact CB-CZ 4.22Å; N129-F269 VanDerWaalsContact CG-CD1 3.49Å; L132-F269 HydrophobicContact CB-CE1 4.46Å; F133-F269 HydrophobicContact CB-CZ 4.31Å; S263-F269 WeakPolarHBondContact O-CD2 3.28Å; V264-F269 HydrophobicContact CG1-CE2 4.37Å; D266-F269 HydrophobicContact CB-CB 4.35Å; D266-F269 VanDerWaalsContact O-CB 3.32Å; D266-F269 WeakPolarHBondContact O-CB 3.37Å; D266-F269 PolarHBondContact O-N 2.98Å; F269-P271 HydrophobicContact CE1-CB 4.42Å
270Q67.6Low64.3Low152 Ų15287.4 Ų87.471%0.7146%0.458SS*.  trans-113.5126.9171.9-64.1-162-18.900109.3Y268Y268-Q270 WeakPolarHBondContact O-CG 3.32Å; Y268-Q270 PolarHBondContact O-N 3.36Å
271P66.5Low64Low25 Ų2580.8 Ų80.816%0.16243%0.434CS..  trans-63.6146.1176.722.9-29.4000111L136 F269 L273 P281L136-P271 HydrophobicContact CD1-CB 3.31Å; L136-P271 HydrophobicContact CD1-CG 4.27Å; F269-P271 HydrophobicContact CE1-CB 4.42Å; P271-L273 PolarHBondContact O-N 3.24Å; P271-P281 HydrophobicContact CG-CB 4.12Å; P271-P281 HydrophobicContact CG-CG 4Å
272P65.5Low63.8Low50 Ų5080.6 Ų80.633%0.32544%0.435SS..  trans-62.9114175.125-32.1000110F133F133-P272 HydrophobicContact CD2-CG 3.97Å; F133-P272 HydrophobicContact CE2-CG 3.94Å
273L60.3Low63.2Low131 Ų13179.9 Ų79.969%0.68644%0.435SS*.  trans-81.5115.3173.8-64.7172.2000108.8P271 P281P271-L273 PolarHBondContact O-N 3.24Å; L273-P281 HydrophobicContact CD2-CG 3.79Å
274R57.1Low61.9Low136 Ų13680.6 Ų80.651%0.51344%0.438SS..  trans-81.1141.1166.3-69.8-173.4-178.8169.33.9109.4D276 N277R274-D276 PolarHBondContact O-N 3.46Å; R274-N277 PolarHBondContact O-N 3.47Å
275P50.9Low60.3Low133 Ų13382.7 Ų82.786%0.86445%0.449SS*.THydrogen-bonded Turntrans-54.9-25.7179.1-24.432.3000114.6
276D52.7Low58.6Low145 Ų14590 Ų9078%0.77548%0.484SS*.THydrogen-bonded Turntrans-98.72.7-173.4-57.3-35.6000114.5R274 V278R274-D276 PolarHBondContact O-N 3.46Å; D276-V278 PolarHBondContact O-N 2.78Å
277N52.9Low57.2Low71 Ų7192.2 Ų92.238%0.3850%0.503SS..  trans-83.2103.1-178.4-77.7-4.2000111.1R274 I279R274-N277 PolarHBondContact O-N 3.47Å; N277-I279 PolarHBondContact O-N 3.12Å
278V49.2Very low56.2Low145 Ų14588.4 Ų88.488%0.87948%0.477SS*.  trans-65-14.5173.8-177.10000112.5D276D276-V278 PolarHBondContact O-N 2.78Å
279I51.8Low55.2Low96 Ų9683.4 Ų83.449%0.49247%0.467SS..SBendtrans-95.3112.6-178.1-49.9173000109.5N277 L284N277-I279 PolarHBondContact O-N 3.12Å; I279-L284 HydrophobicContact CB-CD1 4.27Å; I279-L284 HydrophobicContact CG2-CB 4.17Å; I279-L284 HydrophobicContact CG2-CD1 3.94Å; I279-L284 HydrophobicContact CG2-CG 3.73Å
280T52.5Low54.3Low89 Ų8982.3 Ų82.355%0.54646%0.462SS..  trans-61.4147.2169.854.50000109.8S282 G283 L284T280-S282 PolarHBondContact O-N 3.05Å; T280-G283 WeakPolarHBondContact O-CA 3.5Å; T280-G283 PolarHBondContact O-N 3.48Å; T280-G283 PolarHBondContact OG1-N 3.28Å; T280-L284 PolarHBondContact O-N 3.4Å; T280-L284 VanDerWaalsContact O-N 3.1Å
281P49.8Very low53.6Low41 Ų4179.9 Ų79.927%0.26645%0.454SS..Hα-helixtrans-50.4-35174.4-27.433.9000112.5P271 L273 L284 L285P271-P281 HydrophobicContact CG-CB 4.12Å; P271-P281 HydrophobicContact CG-CG 4Å; L273-P281 HydrophobicContact CD2-CG 3.79Å; P281-L284 PolarHBondContact O-N 2.94Å; P281-L285 WeakPolarHBondContact O-CB 3.15Å; P281-L285 WeakPolarHBondContact O-CD1 3.24Å; P281-L285 VanDerWaalsContact O-CG 3.25Å; P281-L285 WeakPolarHBondContact O-CG 3.47Å; P281-L285 PolarHBondContact O-N 3.35Å
282S51.4Low53.1Low80 Ų8084.1 Ų84.156%0.55947%0.472SS*.Hα-helixtrans-62.6-37.8173.2-540000113.8T280 Q286T280-S282 PolarHBondContact O-N 3.05Å; S282-Q286 PolarHBondContact O-N 3.11Å; S282-Q286 VanDerWaalsContact O-N 3.15Å
283G51.5Low52.6Low21 Ų2181.9 Ų81.922%0.21646%0.457CS..Hα-helixtrans-72.3-34.817500000113.3T280 Q286 S287T280-G283 WeakPolarHBondContact O-CA 3.5Å; T280-G283 PolarHBondContact O-N 3.48Å; T280-G283 PolarHBondContact OG1-N 3.28Å; G283-Q286 PolarHBondContact O-N 3.01Å; G283-S287 WeakPolarHBondContact O-CB 3.4Å; G283-S287 PolarHBondContact O-N 3.42Å; G283-S287 PolarHBondContact O-OG 2.85Å
284L53.3Low52.2Low23 Ų2377.2 Ų77.212%0.1243%0.434CS..Hα-helixtrans-67.6-38.8171.1-103.6152.4000111.9A135 L136 I279 T280 P281 Q286 S287 I288A135-L284 HydrophobicContact CB-CD2 4.47Å; L136-L284 HydrophobicContact CD2-CD1 3.46Å; L136-L284 VanDerWaalsContact CD2-CD1 3.46Å; L136-L284 HydrophobicContact CG-CD1 4.3Å; I279-L284 HydrophobicContact CB-CD1 4.27Å; I279-L284 HydrophobicContact CG2-CB 4.17Å; I279-L284 HydrophobicContact CG2-CD1 3.94Å; I279-L284 HydrophobicContact CG2-CG 3.73Å; T280-L284 PolarHBondContact O-N 3.4Å; T280-L284 VanDerWaalsContact O-N 3.1Å; P281-L284 PolarHBondContact O-N 2.94Å; L284-Q286 VanDerWaalsContact C-N 3.3Å; L284-Q286 PolarHBondContact O-N 3.47Å; L284-S287 WeakPolarHBondContact CA-OG 3.42Å; L284-S287 PolarHBondContact O-OG 2.93Å; L284-I288 HydrophobicContact CD2-CD1 3.37Å; L284-I288 HydrophobicContact CD2-CG1 4.06Å; L284-I288 VanDerWaalsContact O-CB 3.28Å; L284-I288 WeakPolarHBondContact O-CB 3.44Å; L284-I288 PolarHBondContact O-N 3.34Å
285L50.6Low51.8Low46 Ų4675.2 Ų75.224%0.24143%0.434CS..Hα-helixtrans-65.6-27.5174.2-78.9159.6000113.8L132 P281 I288 I290L132-L285 HydrophobicContact CD1-CD2 4.46Å; L132-L285 HydrophobicContact CD2-CD2 4.1Å; L132-L285 HydrophobicContact CD2-CG 4.18Å; P281-L285 WeakPolarHBondContact O-CB 3.15Å; P281-L285 WeakPolarHBondContact O-CD1 3.24Å; P281-L285 VanDerWaalsContact O-CG 3.25Å; P281-L285 WeakPolarHBondContact O-CG 3.47Å; P281-L285 PolarHBondContact O-N 3.35Å; L285-I288 CarbonylContact C-O 3.53Å; L285-I290 HydrophobicContact CD2-CB 4.24Å; L285-I290 HydrophobicContact CD2-CD1 3.86Å; L285-I290 HydrophobicContact CD2-CG2 4.11Å; L285-I290 HydrophobicContact CG-CD1 4.43Å
286Q50.5Low51.4Low171 Ų17175.3 Ų75.380%0.79942%0.421SS*.Hα-helixtrans-87.5-36.4175.7-81.7177.9-9.400113S282 G283 L284S282-Q286 PolarHBondContact O-N 3.11Å; S282-Q286 VanDerWaalsContact O-N 3.15Å; G283-Q286 PolarHBondContact O-N 3.01Å; L284-Q286 VanDerWaalsContact C-N 3.3Å; L284-Q286 PolarHBondContact O-N 3.47Å
287S46.9Very low50.9Low87 Ų8769.4 Ų69.461%0.60839%0.391SS*.Hα-helixtrans-77.9-38.6-179.352.10000112.4G283 L284G283-S287 WeakPolarHBondContact O-CB 3.4Å; G283-S287 PolarHBondContact O-N 3.42Å; G283-S287 PolarHBondContact O-OG 2.85Å; L284-S287 WeakPolarHBondContact CA-OG 3.42Å; L284-S287 PolarHBondContact O-OG 2.93Å
288I52Low50.1Low18 Ų1870.4 Ų70.49%0.09240%0.4CS..SBendtrans-88.6123.9169.5-56.5177.7000106.5A135 P142 I146 L284 L285 I290A135-I288 HydrophobicContact CB-CD1 4.05Å; P142-I288 HydrophobicContact CB-CD1 4.35Å; I146-I288 HydrophobicContact CD1-CG2 3.37Å; I146-I288 HydrophobicContact CG1-CG2 4.03Å; L284-I288 HydrophobicContact CD2-CD1 3.37Å; L284-I288 HydrophobicContact CD2-CG1 4.06Å; L284-I288 VanDerWaalsContact O-CB 3.28Å; L284-I288 WeakPolarHBondContact O-CB 3.44Å; L284-I288 PolarHBondContact O-N 3.34Å; L285-I288 CarbonylContact C-O 3.53Å; I288-I290 HydrophobicContact CB-CD1 4.1Å; I288-I290 HydrophobicContact CB-CG1 3.71Å; I288-I290 HydrophobicContact CG2-CD1 4.14Å; I288-I290 HydrophobicContact CG2-CG1 3.4Å; I288-I290 VanDerWaalsContact CG2-CG1 3.4Å; I288-I290 PolarHBondContact O-N 2.98Å
289S52.8Low49.5Very low67 Ų6771.8 Ų71.847%0.46940%0.396SS..  trans-66.556.1171.2-97.20000111.8D291 H292 V293S289-D291 PolarHBondContact O-N 3.32Å; S289-H292 WeakPolarHBondContact CB-ND1 3.48Å; S289-H292 WeakPolarHBondContact O-CA 3.32Å; S289-H292 WeakPolarHBondContact O-CB 3.34Å; S289-H292 PolarHBondContact O-N 2.96Å; S289-H292 PolarHBondContact OG-CE1 3.11Å; S289-H292 PolarHBondContact OG-ND1 3.02Å; S289-V293 PolarHBondContact O-N 3.12Å
290I54.4Low48.8Very low1 Ų173.7 Ų73.71%0.00540%0.403CS..Hα-helixtrans-60.1-36-179.3-66.7-174.8000109.5R128 L131 L132 L285 I288 H292 V293 V294R128-I290 HydrophobicContact CG-CG2 3.69Å; L131-I290 HydrophobicContact CD2-CG1 4.19Å; L132-I290 HydrophobicContact CD2-CD1 3.41Å; L132-I290 VanDerWaalsContact CD2-CD1 3.41Å; L132-I290 HydrophobicContact CG-CD1 4.09Å; L285-I290 HydrophobicContact CD2-CB 4.24Å; L285-I290 HydrophobicContact CD2-CD1 3.86Å; L285-I290 HydrophobicContact CD2-CG2 4.11Å; L285-I290 HydrophobicContact CG-CD1 4.43Å; I288-I290 HydrophobicContact CB-CD1 4.1Å; I288-I290 HydrophobicContact CB-CG1 3.71Å; I288-I290 HydrophobicContact CG2-CD1 4.14Å; I288-I290 HydrophobicContact CG2-CG1 3.4Å; I288-I290 VanDerWaalsContact CG2-CG1 3.4Å; I288-I290 PolarHBondContact O-N 2.98Å; I290-H292 PolarHBondContact O-N 3.47Å; I290-V293 WeakPolarHBondContact O-CB 3.28Å; I290-V293 PolarHBondContact O-N 2.89Å; I290-V293 VanDerWaalsContact O-N 3.08Å; I290-V294 PolarHBondContact O-N 3.34Å
291D53.3Low48Very low102 Ų10278.3 Ų78.355%0.54541%0.41SS..Hα-helixtrans-62.4-31173.4-66.5-26.5000112S289 N295S289-D291 PolarHBondContact O-N 3.32Å; D291-N295 WeakPolarHBondContact O-CB 3.44Å; D291-N295 PolarHBondContact O-N 2.74Å; D291-N295 PolarHBondContact O-ND2 3.01Å; D291-N295 VanDerWaalsContact O-ND2 3.11Å
292H55.2Low47Very low114 Ų11483.2 Ų83.253%0.52843%0.434SS..Hα-helixtrans-74.5-23.7173.9-66.4138.2000113.6S289 I290 V294 F296S289-H292 WeakPolarHBondContact CB-ND1 3.48Å; S289-H292 WeakPolarHBondContact O-CA 3.32Å; S289-H292 WeakPolarHBondContact O-CB 3.34Å; S289-H292 PolarHBondContact O-N 2.96Å; S289-H292 PolarHBondContact OG-CE1 3.11Å; S289-H292 PolarHBondContact OG-ND1 3.02Å; I290-H292 PolarHBondContact O-N 3.47Å; H292-V294 VanDerWaalsContact C-N 3.33Å; H292-F296 WeakPolarHBondContact O-CB 3.28Å; H292-F296 PolarHBondContact O-N 2.96Å; H292-F296 VanDerWaalsContact O-N 3.1Å
293V55.4Low45.9Very low3 Ų385 Ų852%0.01844%0.436CS..Hα-helixtrans-67.6-39.1175.7179.10000110.7L131 I146 C149 K150 L153 S289 I290L131-V293 HydrophobicContact CD2-CG2 4.09Å; I146-V293 HydrophobicContact CG2-CG2 3.7Å; C149-V293 HydrophobicContact CB-CG1 4.03Å; K150-V293 HydrophobicContact CG-CG1 4.07Å; K150-V293 HydrophobicContact CG-CG2 4.45Å; L153-V293 HydrophobicContact CD1-CG1 4.35Å; S289-V293 PolarHBondContact O-N 3.12Å; I290-V293 WeakPolarHBondContact O-CB 3.28Å; I290-V293 PolarHBondContact O-N 2.89Å; I290-V293 VanDerWaalsContact O-N 3.08Å
294V52.5Low44.7Very low32 Ų3290 Ų9019%0.19446%0.457CS..Hα-helixtrans-88.6-34.5-177.7-174.40000111.5N124 R128 I290 H292 F296 S297N124-V294 HydrophobicContact CB-CG1 3.95Å; R128-V294 HydrophobicContact CB-CG2 4.15Å; I290-V294 PolarHBondContact O-N 3.34Å; H292-V294 VanDerWaalsContact C-N 3.33Å; V294-F296 VanDerWaalsContact C-N 3.32Å; V294-F296 PolarHBondContact O-N 3.07Å; V294-S297 WeakPolarHBondContact O-CB 3.45Å; V294-S297 PolarHBondContact O-OG 3.14Å
295N48.8Very low43.4Very low95 Ų9595.7 Ų95.751%0.50849%0.486SS..Hα-helixtrans-81-5.6176.6-65.2-27.5000113.9D291 S297 T298D291-N295 WeakPolarHBondContact O-CB 3.44Å; D291-N295 PolarHBondContact O-N 2.74Å; D291-N295 PolarHBondContact O-ND2 3.01Å; D291-N295 VanDerWaalsContact O-ND2 3.11Å; N295-S297 PolarHBondContact O-N 3.15Å; N295-S297 VanDerWaalsContact O-N 3.13Å; N295-T298 PolarHBondContact O-N 3.48Å; N295-T298 PolarHBondContact O-OG1 2.75Å
296F42.2Very low42.2Very low135 Ų13597.8 Ų97.859%0.59250%0.504SS*.G310 helixtrans-62.9-16.8170.9-131.3-96.2000112.5H292 V294 T298H292-F296 WeakPolarHBondContact O-CB 3.28Å; H292-F296 PolarHBondContact O-N 2.96Å; H292-F296 VanDerWaalsContact O-N 3.1Å; V294-F296 VanDerWaalsContact C-N 3.32Å; V294-F296 PolarHBondContact O-N 3.07Å; F296-T298 VanDerWaalsContact C-N 3.31Å; F296-T298 PolarHBondContact O-N 2.98Å
297S43Very low41Very low21 Ų2194.7 Ų94.715%0.14750%0.501CS..G310 helixtrans-82.4-1.1-173.3110.20000113.9E201 V294 N295E201-S297 WeakPolarHBondContact OE2-CB 3.26Å; E201-S297 PolarHBondContact OE2-OG 2.92Å; V294-S297 WeakPolarHBondContact O-CB 3.45Å; V294-S297 PolarHBondContact O-OG 3.14Å; N295-S297 PolarHBondContact O-N 3.15Å; N295-S297 VanDerWaalsContact O-N 3.13Å
298T34.6Very low39.9Very low92 Ų9295.5 Ų95.556%0.56451%0.507SS*.G310 helixtrans-102.78.5-17149.90000116.9N295 F296N295-T298 PolarHBondContact O-N 3.48Å; N295-T298 PolarHBondContact O-OG1 2.75Å; F296-T298 VanDerWaalsContact C-N 3.31Å; F296-T298 PolarHBondContact O-N 2.98Å
299H36.3Very low38.6Very low174 Ų17499.9 Ų99.981%0.80654%0.54SS*.  trans-130.56.9-173.5-86.5-56.4000120.3
300Q38.8Very low37.4Very low136 Ų136105.5 Ų105.564%0.63656%0.558SS**  trans-105.771.4178.9-70.8-176.8-3.700113.8I303Q300-I303 HydrophobicContact CG-CD1 3.99Å; Q300-I303 HydrophobicContact CG-CG1 4.23Å; Q300-I303 VanDerWaalsContact NE2-CD1 3.32Å
301R35.8Very low36.1Very low186 Ų186114 Ų11470%0.70260%0.603SS**SBendtrans-84-8.4163.1-98.7-177.2176.6147.7-0.9113.7
302N27.7Very low34.8Very low143 Ų143118.6 Ų118.677%0.76562%0.618SS**  trans-135.836.3-167.6-75.6-20.6000115.4I304N302-I304 PolarHBondContact O-N 2.85Å; N302-I304 VanDerWaalsContact O-N 3.11Å
303I29.1Very low33.6Very low119 Ų119117.9 Ų117.961%0.6163%0.626SS**  trans-86.274.8159.8-55.2-171.1000107.9Q300Q300-I303 HydrophobicContact CG-CD1 3.99Å; Q300-I303 HydrophobicContact CG-CG1 4.23Å; Q300-I303 VanDerWaalsContact NE2-CD1 3.32Å
304I26.1Very low32.4Very low125 Ų125124.6 Ų124.664%0.64166%0.662SS**  trans-64.2129.5150.3-64.9174.2000104.9N302 S306N302-I304 PolarHBondContact O-N 2.85Å; N302-I304 VanDerWaalsContact O-N 3.11Å; I304-S306 PolarHBondContact O-N 2.88Å
305I25.9Very low31.2Very low142 Ų142127.9 Ų127.973%0.72869%0.686SS**  trans-64.578.2168.2-58.7170.9000106.5
306S24.8Very low30.3Very low90 Ų90130.3 Ų130.363%0.62970%0.704SS**  trans-93.4111.9169.6-51.10000106.2I304 S308I304-S306 PolarHBondContact O-N 2.88Å; S306-S308 PolarHBondContact O-N 3.18Å
307S25Very low29.4Very low106 Ų106130 Ų13074%0.74171%0.713SS**  trans-46.8126.6166.948.80000111.6
308S24.1Very low28.6Very low105 Ų105134.9 Ų134.973%0.73474%0.742SS**  trans37.2115.314760.30000118.6S306S306-S308 PolarHBondContact O-N 3.18Å
309S25.9Very low28.1Very low110 Ų110136.1 Ų136.177%0.76975%0.751SS**  170.4140.3115.258.90000112.3
310E27Very low27.6Very low184 Ų184132 Ų13286%0.8675%0.748SS**  trans92.6102.8156.4-51-169.2166.600119.6
311L25.8Very low27.2Very low180 Ų180132.9 Ų132.994%0.94276%0.756SS**  trans-134.4122.7147.8-91.5158.9000108
312K27Very low26.9Very low199 Ų199128.9 Ų128.987%0.86575%0.752SS**  trans-119.5121.8163.9-83.3-173.8177.6178.50109.8
313S29.5Very low27.1Very low99 Ų99129.5 Ų129.569%0.69276%0.755SS**  trans75141.4134.297.80000117.1
314D30.5Very low27.6Very low144 Ų144127.8 Ų127.877%0.7775%0.747SS**  cis-152.6166.420.1-90-54.2000112.9
315S26.8Very low28.1Very low101 Ų101128.2 Ų128.271%0.70675%0.745SS**  trans-31149.817657.30000121.6
316V29.6Very low28.8Very low145 Ų145122.8 Ų122.888%0.87972%0.718SS**  -172149.1109.3157.30000110.1
317V24.6Very low29.4Very low128 Ų128124.7 Ų124.778%0.77672%0.717SS**  trans-83.6139.2-159173.90000114.9
318T25Very low29.9Very low124 Ų124129 Ų12976%0.76172%0.717SS**  trans-172.8151.9140.619.60000111.3
319P24.5Very low30.7Very low118 Ų118125 Ų12577%0.76669%0.687SS**  trans-100.8156.4-140.536.9-34.7000117.2
320A26.2Very low31.3Very low88 Ų88124.3 Ų124.373%0.72767%0.67SS**SBendtrans71.748.1151.200000120.2
321L30.1Very low31.7Very low154 Ų154119.5 Ų119.581%0.80666%0.657SS**SBendtrans-163.114.8147.5-132.498.5000113.1
322T29.6Very low32.3Very low102 Ų102113.4 Ų113.463%0.62663%0.626SS**THydrogen-bonded Turntrans-94.9-1.8-162.134.70000115.1
323D32.1Very low32.7Very low156 Ų156108 Ų10883%0.83461%0.61SS**THydrogen-bonded Turntrans-85.2-7.2179.3-81.1-33.2000114.5K325D323-K325 PolarHBondContact O-N 2.8Å
324L40.2Very low33.1Very low83 Ų83109.3 Ų109.344%0.43561%0.61SS.*  trans-98.256.1168.4-89152.6000110.4A238 V326A238-L324 HydrophobicContact CB-CD1 4.17Å; L324-V326 PolarHBondContact O-N 2.79Å
325K35.5Very low33.5Very low135 Ų135103.6 Ų103.659%0.58758%0.579SS**  trans-63.9102.5164.2-84.4-169.4172.5-163.10108.4D323 E327 R328D323-K325 PolarHBondContact O-N 2.8Å; K325-E327 HydrophobicContact CB-CB 4.46Å; K325-E327 IonicContact NZ-OE2 3.92Å; K325-E327 PolarHBondContact O-N 3.21Å; K325-R328 PolarHBondContact O-N 3.29Å
326V41Very low34Very low27 Ų27102.4 Ų102.416%0.16457%0.567CS.*G310 helixtrans-51.8-22.8174.9-169.40000111.3E147 L324 R328 L329 F330E147-V326 HydrophobicContact CB-CG2 4.42Å; E147-V326 HydrophobicContact CG-CG2 4.37Å; L324-V326 PolarHBondContact O-N 2.79Å; V326-R328 PolarHBondContact O-N 3.35Å; V326-L329 HydrophobicContact CG1-CB 4.4Å; V326-L329 HydrophobicContact CG1-CD1 4.16Å; V326-L329 WeakPolarHBondContact O-CA 3.48Å; V326-L329 WeakPolarHBondContact O-CB 3.16Å; V326-L329 PolarHBondContact O-N 3.17Å; V326-F330 VanDerWaalsContact C-CD2 3.49Å; V326-F330 HydrophobicContact CB-CD2 4.42Å; V326-F330 HydrophobicContact CB-CE2 3.94Å; V326-F330 HydrophobicContact CG1-CD2 3.89Å; V326-F330 HydrophobicContact CG1-CE2 3.25Å; V326-F330 HydrophobicContact CG1-CZ 3.66Å; V326-F330 WeakPolarHBondContact O-CD2 3.42Å; V326-F330 PolarHBondContact O-N 3.31Å
327E36.5Very low34.3Very low131 Ų13198.7 Ų98.761%0.61254%0.543SS*.G310 helixtrans-49.3-35.7166.8-66.9-180156.800114.3K325 S331K325-E327 HydrophobicContact CB-CB 4.46Å; K325-E327 IonicContact NZ-OE2 3.92Å; K325-E327 PolarHBondContact O-N 3.21Å; E327-S331 PolarHBondContact O-OG 3.37Å
328R37.2Very low34.4Very low195 Ų19595.9 Ų95.974%0.73654%0.54SS*.G310 helixtrans-77.8-23.5173.8-71.9-173.8-178.5166.21.5113.4K325 V326 S331K325-R328 PolarHBondContact O-N 3.29Å; V326-R328 PolarHBondContact O-N 3.35Å; R328-S331 WeakPolarHBondContact CA-OG 3.46Å; R328-S331 PolarHBondContact O-OG 3.39Å
329L40.5Very low34.7Very low23 Ų2393.7 Ų93.712%0.1252%0.523CS..THydrogen-bonded Turntrans-74.8-35.8171.8-62170.7000110.4F225 V326 S331 L335F225-L329 HydrophobicContact CE1-CD2 3.9Å; F225-L329 HydrophobicContact CZ-CD2 3.67Å; V326-L329 HydrophobicContact CG1-CB 4.4Å; V326-L329 HydrophobicContact CG1-CD1 4.16Å; V326-L329 WeakPolarHBondContact O-CA 3.48Å; V326-L329 WeakPolarHBondContact O-CB 3.16Å; V326-L329 PolarHBondContact O-N 3.17Å; L329-S331 PolarHBondContact O-N 2.93Å; L329-L335 VanDerWaalsContact O-CD1 3.31Å; L329-L335 WeakPolarHBondContact O-CD1 3.43Å
330F38.8Very low35Very low94 Ų9499.6 Ų99.641%0.41253%0.53SS..THydrogen-bonded Turntrans-70-15.2177-68.3-62000114.5L151 A154 V326L151-F330 HydrophobicContact CD1-CE1 4.41Å; A154-F330 HydrophobicContact CB-CE1 4.06Å; V326-F330 VanDerWaalsContact C-CD2 3.49Å; V326-F330 HydrophobicContact CB-CD2 4.42Å; V326-F330 HydrophobicContact CB-CE2 3.94Å; V326-F330 HydrophobicContact CG1-CD2 3.89Å; V326-F330 HydrophobicContact CG1-CE2 3.25Å; V326-F330 HydrophobicContact CG1-CZ 3.66Å; V326-F330 WeakPolarHBondContact O-CD2 3.42Å; V326-F330 PolarHBondContact O-N 3.31Å
331S34.1Very low35.1Very low83 Ų83101.8 Ų101.858%0.5853%0.53SS*.THydrogen-bonded Turntrans-99.83.9-177.824.50000113.9E327 R328 L329 P333E327-S331 PolarHBondContact O-OG 3.37Å; R328-S331 WeakPolarHBondContact CA-OG 3.46Å; R328-S331 PolarHBondContact O-OG 3.39Å; L329-S331 PolarHBondContact O-N 2.93Å; S331-P333 WeakPolarHBondContact O-CD 3.48Å
332N38.9Very low35.2Very low53 Ų5397.8 Ų97.828%0.28351%0.508SS..  trans-81.3112179.1-163.6-13.2000111.4D334 L335N332-D334 PolarHBondContact O-N 2.99Å; N332-D334 VanDerWaalsContact O-N 3.16Å; N332-D334 PolarHBondContact OD1-N 3.11Å; N332-L335 HydrophobicContact CB-CD1 4.39Å; N332-L335 PolarHBondContact O-N 3.4Å; N332-L335 VanDerWaalsContact O-N 3.17Å
333P36Very low35.1Very low84 Ų8498.4 Ų98.455%0.54551%0.511SS..G310 helixtrans-61.8-20.8179.124.6-33000113.2S331 L335 V336S331-P333 WeakPolarHBondContact O-CD 3.48Å; P333-L335 VanDerWaalsContact C-N 3.25Å; P333-L335 PolarHBondContact O-N 3.05Å; P333-V336 CarbonylContact O-C 3.57Å; P333-V336 PolarHBondContact O-N 2.81Å
334D37.9Very low34.9Very low128 Ų12894.5 Ų94.568%0.68449%0.493SS*.G310 helixtrans-71.7-17.6178.5-64.2-29.8000113.6N332 V336N332-D334 PolarHBondContact O-N 2.99Å; N332-D334 VanDerWaalsContact O-N 3.16Å; N332-D334 PolarHBondContact OD1-N 3.11Å; D334-V336 VanDerWaalsContact C-N 3.34Å
335L38.8Very low34.1Very low23 Ų2396.5 Ų96.512%0.1250%0.504CS..G310 helixtrans-80.7-17.2170.4-80.2168.6000112.8Y155 F225 L329 N332 P333Y155-L335 HydrophobicContact CD2-CD2 4.14Å; Y155-L335 HydrophobicContact CE2-CD2 3.61Å; F225-L335 HydrophobicContact CB-CD2 4.06Å; F225-L335 HydrophobicContact CD1-CD1 4.48Å; F225-L335 HydrophobicContact CD1-CD2 4.07Å; F225-L335 HydrophobicContact CD2-CD1 3.94Å; F225-L335 HydrophobicContact CD2-CD2 3.42Å; F225-L335 VanDerWaalsContact CD2-CD2 3.42Å; F225-L335 HydrophobicContact CD2-CG 3.56Å; F225-L335 HydrophobicContact CE1-CD1 3.97Å; F225-L335 HydrophobicContact CE1-CD2 4.38Å; F225-L335 HydrophobicContact CE2-CD1 3.36Å; F225-L335 HydrophobicContact CE2-CD2 3.78Å; F225-L335 HydrophobicContact CE2-CG 3.43Å; F225-L335 VanDerWaalsContact CE2-CG 3.43Å; F225-L335 HydrophobicContact CG-CD1 4.46Å; F225-L335 HydrophobicContact CG-CD2 3.57Å; F225-L335 HydrophobicContact CG-CG 4.2Å; F225-L335 HydrophobicContact CZ-CD1 3.38Å; F225-L335 HydrophobicContact CZ-CD2 4.25Å; F225-L335 HydrophobicContact CZ-CG 3.98Å; L329-L335 VanDerWaalsContact O-CD1 3.31Å; L329-L335 WeakPolarHBondContact O-CD1 3.43Å; N332-L335 HydrophobicContact CB-CD1 4.39Å; N332-L335 PolarHBondContact O-N 3.4Å; N332-L335 VanDerWaalsContact O-N 3.17Å; P333-L335 VanDerWaalsContact C-N 3.25Å; P333-L335 PolarHBondContact O-N 3.05Å
336V36.7Very low33.7Very low76 Ų7696.9 Ų96.946%0.46152%0.518SS..SBendtrans-98.3100.2177.1-174.70000106.8P333 D334 G338P333-V336 CarbonylContact O-C 3.57Å; P333-V336 PolarHBondContact O-N 2.81Å; D334-V336 VanDerWaalsContact C-N 3.34Å; V336-G338 PolarHBondContact O-N 2.97Å
337N36.2Very low33.1Very low68 Ų68100 Ų10036%0.36454%0.539SS..  trans-41.3132.6178.2-106.7-19.4000112.5R221 D339R221-N337 PolarHBondContact NH1-ND2 3.48Å; R221-N337 PolarHBondContact NH1-OD1 2.95Å; N337-D339 PolarHBondContact O-N 3.29Å
338G27.4Very low32.6Very low69 Ų6998.2 Ų98.271%0.71153%0.532SS*.  trans-58.3119.2-175.300000113.3V336V336-G338 PolarHBondContact O-N 2.97Å
339D31.4Very low32.1Very low77 Ų7799 Ų9941%0.41254%0.541SS..  trans-139.192.8141.1-102.8-38.9000105.5K160 N337 D341 M342K160-D339 IonicContact NZ-OD2 3.42Å; K160-D339 PolarHBondContact NZ-OD2 3.47Å; N337-D339 PolarHBondContact O-N 3.29Å; D339-D341 PolarHBondContact O-N 3.22Å; D339-D341 VanDerWaalsContact O-N 3.16Å; D339-M342 HydrophobicContact CB-CG 4.44Å
340R29.4Very low31.4Very low243 Ų243102.7 Ų102.792%0.91757%0.568SS**G310 helixtrans-64.5-2.5161.5-79.1-174.6175.6177.70.2111.5
341D29.2Very low30.9Very low133 Ų133106.6 Ų106.671%0.71159%0.588SS**G310 helixtrans-94.96.8-173.5-68.4-22.1000115.5D339D339-D341 PolarHBondContact O-N 3.22Å; D339-D341 VanDerWaalsContact O-N 3.16Å
342M32.1Very low30.5Very low70 Ų70108.4 Ų108.435%0.34560%0.598SS.*G310 helixtrans-105.47.4177.4-70.1-158.673.700115.9L80 F193 D339L80-M342 HydrophobicContact CD2-CE 4.3Å; F193-M342 HydrophobicContact CD1-CE 4.35Å; F193-M342 HydrophobicContact CE1-CE 4.44Å; D339-M342 HydrophobicContact CB-CG 4.44Å
343V27.6Very low29.8Very low115 Ų115115 Ų11570%0.69763%0.627SS**  trans-98.594.2167.2-175.70000109N345V343-N345 HydrophobicContact CG1-CB 4.48Å; V343-N345 PolarHBondContact O-N 3.4Å
344V26.8Very low29.4Very low74 Ų74120.4 Ų120.445%0.44865%0.645SS.*  trans-74.380.8166.3-179.10000107T852V344-T852 HydrophobicContact CG1-CG2 4.42Å
345N24.4Very low28.7Very low126 Ų126118.9 Ų118.967%0.67464%0.644SS**SBendtrans-176.977.6161.6-87.3-20.7000110.6V343V343-N345 HydrophobicContact CG1-CB 4.48Å; V343-N345 PolarHBondContact O-N 3.4Å
346T27.8Very low28.2Very low142 Ų142127 Ų12787%0.87168%0.679SS**  trans163.1153.2145.632.30000112.9
347P27.2Very low27.8Very low94 Ų94129.3 Ų129.361%0.6169%0.694SS**  trans-100.7133.6-17435.5-27.9000116.5
348I25.8Very low27.1Very low92 Ų92135.8 Ų135.847%0.47272%0.718SS.*  trans27.6127.5145.5-44.6171.5000121.2W898 P899I348-W898 WeakPolarHBondContact CD1-O 3.27Å; I348-P899 WeakPolarHBondContact CD1-OXT 3.45Å
349K28.3Very low27.1Very low213 Ų213138.4 Ų138.493%0.92672%0.723SS**  trans-140.3150133.2-84.3-167.1179.8179.50111
350S25.7Very low26.9Very low99 Ų99139.3 Ų139.369%0.69274%0.741SS**  trans-95.5168.7-155.145.20000117.2
351E26.8Very low26.6Very low177 Ų177137.4 Ų137.483%0.82774%0.739SS**  trans106156.2152.5-57.3-162.9166.500118.5
352P26.8Very low26.5Very low120 Ų120138.8 Ų138.878%0.77975%0.745SS**  -132.4-179.9-63.137.2-18.8000113.5
353E22.9Very low26.2Very low191 Ų191140.7 Ų140.789%0.89376%0.761SS**  trans-64.1144.6-172.4-57.5179.9151.100116.6
354E28Very low26.2Very low199 Ų199142.7 Ų142.793%0.9377%0.768SS**  trans-138.7128.3148.3-98.9-173.317600112.1
355S22.9Very low26.2Very low96 Ų96147 Ų14767%0.67178%0.782SS**  trans-76.9148.4-179.554.10000113.5
356F28.1Very low26.5Very low193 Ų193146 Ų14685%0.84679%0.786SS**  trans-164110.9139.3-97.3-70.7000113.4
357T28.1Very low26.5Very low125 Ų125144.6 Ų144.677%0.76778%0.777SS**  trans37.5129.6136.950.60000124.3
358K22.2Very low26.5Very low204 Ų204148.4 Ų148.489%0.88779%0.786SS**  trans-76.2157.6159.6-67.5174.4176.9172.40113
359P27.7Very low26.6Very low123 Ų123155.5 Ų155.580%0.79981%0.807SS**  trans-123.9125.914031.1-16.5000110.6
360A27.2Very low26.5Very low96 Ų96156.6 Ų156.679%0.79381%0.805SS**  84.2117.682.800000113
361K23.4Very low26.5Very low204 Ų204158.6 Ų158.689%0.88781%0.814SS**  trans-71.5138176.9-72.9172.3174.2175.90110.3
362I27.6Very low26.4Very low161 Ų161155.5 Ų155.583%0.82681%0.811SS**  trans-114.1113.1158.3-62.9175.4000107.3
363T24.3Very low26.4Very low110 Ų110157.8 Ų157.868%0.67582%0.815SS**  trans-78.1137.5162.440.90000108.6
364D27.8Very low26.7Very low158 Ų158159.4 Ų159.485%0.84581%0.813SS**  trans-146.6144.2149-118.3-22.8000113.7
365H26.8Very low26.7Very low163 Ų163158.9 Ų158.976%0.75582%0.816SS**  trans-95.9140.1-167.4-75.8-93000112.1
366S30.1Very low26.9Very low107 Ų107164.1 Ų164.175%0.74882%0.821SS**  trans-175.797.3144.756.90000109.2
367T28.8Very low26.8Very low111 Ų111160.4 Ų160.468%0.68182%0.819SS**  61.8114.984.560.90000117.1
368H28.1Very low26.9Very low175 Ų175162 Ų16281%0.8182%0.817SS**  trans71.6136.6151.1-61.8-54.4000117
369R28.1Very low27.2Very low240 Ų240160.2 Ų160.291%0.90682%0.817SS**  cis-166149.540.1-131.4166.8-163.9-171.34.5110.1
370R24.3Very low26.9Very low237 Ų237159.9 Ų159.989%0.89482%0.818SS**  trans-56144.2172.1-75.9170.5165150.6-5.4113
371T27.1Very low26.9Very low141 Ų141162 Ų16287%0.86582%0.821SS**  -163128.8127.725.80000111.8
372S24.8Very low27Very low111 Ų111159.7 Ų159.778%0.77682%0.818SS**  trans-73.9141.6172.1500000112.8
373I26.9Very low27Very low169 Ų169159.1 Ų159.187%0.86782%0.822SS**  trans-135.6118.9159.3-61.1-177.7000110.6
374R28.2Very low26.9Very low224 Ų224162.8 Ų162.885%0.84583%0.832SS**  trans-65.1140.7168.3-83.5169156.8147.5-8.7110.7R376R374-R376 PolarHBondContact O-N 2.86Å
375L28.7Very low27Very low188 Ų188160.9 Ų160.998%0.98483%0.831SS**  trans-72.8110.2150.1-79.8162.9000108.1
376R27Very low26.9Very low207 Ų207158.5 Ų158.578%0.78183%0.832SS**  trans-90.9136.7-176-155.8-177.1-143.4-176.34.6109R374R374-R376 PolarHBondContact O-N 2.86Å
377S26Very low26.9Very low115 Ų115160 Ų16080%0.80484%0.837SS**  trans-66.9135.6163.163.50000110.4
378Q29.1Very low26.7Very low157 Ų157159.3 Ų159.373%0.73484%0.836SS**  trans-135.1125.9155.4-59.6-163.910.300103
379L28.4Very low26.8Very low167 Ų167158.6 Ų158.687%0.87484%0.838SS**  -145.3142.857.2-67.7107.9000112.2
380S22.3Very low26.7Very low117 Ų117152.2 Ų152.282%0.81883%0.831SS**  trans-130.8123156.424.60000107.2
381T27.7Very low26.9Very low140 Ų140150.3 Ų150.386%0.85983%0.832SS**  trans-154.3128.2152.241.20000109.7
382N24.3Very low26.8Very low156 Ų156153.2 Ų153.283%0.83483%0.833SS**  trans-49144.1-178.5-66-34.6000115.8
383T27.7Very low27.1Very low148 Ų148154.3 Ų154.391%0.90884%0.837SS**  trans-152.7127.1130.4-24.30000110.2
384Q24Very low27Very low188 Ų188153 Ų15388%0.87983%0.832SS**  trans-76.1135.5176-68.1166.4-19.500110
385S29.3Very low26.9Very low117 Ų117148 Ų14882%0.81883%0.83SS**  trans-165.9111.6145.2540000109.8
386S24.8Very low26.9Very low113 Ų113147.5 Ų147.579%0.7982%0.82SS**  trans-48.1141.6163.548.10000113.4
387V29.2Very low26.9Very low139 Ų139142.3 Ų142.384%0.84282%0.815SS**  -160.1121.2124.2173.30000107.4
388S24.8Very low27.1Very low96 Ų96145.6 Ų145.667%0.67182%0.818SS**  trans-70.8142.1164.344.80000110.5
389D29.7Very low27.1Very low160 Ų160145.3 Ų145.386%0.85682%0.822SS**  -164.2131.4129.4-91.6-25.5000111.4
390S25.6Very low27.2Very low107 Ų107147.3 Ų147.375%0.74882%0.823SS**  trans-94.1136178.639.50000109.8
391E30.5Very low27.5Very low197 Ų197146.4 Ų146.492%0.92182%0.823SS**  trans-162.8120.2151.2-111.9168.6-157.300111.6
392K24.6Very low27.3Very low202 Ų202145.8 Ų145.888%0.87882%0.819SS**  trans-87.1156.7158.2-79.5180175.7176.80107.8
393P31.4Very low27.5Very low134 Ų134144.5 Ų144.587%0.8782%0.816SS**  -132.9161128.327.1-9.9000113.9
394N24.7Very low27.4Very low141 Ų141142.2 Ų142.275%0.75480%0.802SS**  trans-117.8134.3-169.5-173.422.7000107.5
395C26.3Very low27.6Very low119 Ų119139.8 Ų139.880%0.80480%0.795SS**  trans-164.5108.3158.6-99.50000107.1
396K28.3Very low27.5Very low178 Ų178138.2 Ų138.277%0.77478%0.784SS**  50.7111.285.4-67.4-171.2179.1-177.90110.4
397S26.3Very low27.7Very low98 Ų98138.8 Ų138.869%0.68578%0.778SS**  cis131.4124.336.647.20000103.8
398E29.7Very low27.7Very low184 Ų184140.2 Ų140.286%0.8678%0.778SS**  trans173.7104.5138.9-95.9172-162.800111.2
399D28.6Very low27.9Very low151 Ų151145.5 Ų145.581%0.80779%0.789SS**  trans23.4117.2140.6-59.4-30.6000120.2
400K31Very low27.8Very low209 Ų209146.9 Ų146.991%0.90979%0.787SS**  -168.9130.7124.5-102.5158-171.4178.60113
401A28Very low27.8Very low98 Ų98146.2 Ų146.281%0.8178%0.782SS**  trans6979.1161.300000117.9V403A401-V403 PolarHBondContact O-N 3.06Å
402V24.8Very low27.8Very low127 Ų127145.2 Ų145.277%0.7778%0.782SS**  trans-62.8108.7153.8176.70000109.2T404V402-T404 HydrophobicContact CG1-CG2 3.77Å
403V27.9Very low27.9Very low129 Ų129143.3 Ų143.378%0.78278%0.782SS**  trans-112.890.1148.9179.40000105.6A401 D405A401-V403 PolarHBondContact O-N 3.06Å; V403-D405 VanDerWaalsContact C-N 3.33Å; V403-D405 PolarHBondContact O-N 3.34Å
404T25.8Very low27.7Very low100 Ų100143.3 Ų143.361%0.61378%0.775SS**  trans-62.699.3160.941.70000107.3V402 S406V402-T404 HydrophobicContact CG1-CG2 3.77Å; T404-S406 PolarHBondContact O-N 3.06Å
405D29.2Very low27.9Very low136 Ų136144.3 Ų144.373%0.72778%0.78SS**  trans-7858.1159.5-136.1-10000108.8V403 N407V403-D405 VanDerWaalsContact C-N 3.33Å; V403-D405 PolarHBondContact O-N 3.34Å; D405-N407 PolarHBondContact O-N 3.14Å
406S27.2Very low28.1Very low84 Ų84145.6 Ų145.659%0.58778%0.778SS**  trans-82.453.7163.856.10000108.1T404T404-S406 PolarHBondContact O-N 3.06Å
407N28.2Very low28.1Very low126 Ų126145.3 Ų145.367%0.67479%0.785SS**SBendtrans-155.436.2178.5-93.8-18.6000113.2D405D405-N407 PolarHBondContact O-N 3.14Å
408M29.3Very low28.6Very low169 Ų169146.8 Ų146.883%0.83378%0.784SS**SBendtrans-139.414.2155.7-77.8-150.492.400114.1
409K28.8Very low29.5Very low207 Ų207144.4 Ų144.490%0.978%0.776SS**SBendtrans-108.719170.7-78.6-176.4175.8176.40113.5
410K27.1Very low30.8Very low188 Ų188144.5 Ų144.582%0.81778%0.777SS**SBendtrans-137.949.6-177.1-102.6-176.5176.4-179.80112
411S26.9Very low32.2Very low93 Ų93137.7 Ų137.765%0.6575%0.753SS**SBendtrans-167.574.4161.766.70000111
412L29.2Very low34.2Very low176 Ų176137.2 Ų137.292%0.92174%0.736SS**SBendtrans175.8-4.1161.1-99.1149.9000111.9
413N27.3Very low36.7Very low162 Ų162134.9 Ų134.987%0.86673%0.726SS**SBendtrans-95.74176.9-126.526.4000114.8
414D27.4Very low39.1Very low135 Ų135132 Ų13272%0.72271%0.709SS**SBendtrans-123.495.7174.2-65.4-40.1000107.1
415N28.8Very low41.5Very low161 Ų161128.9 Ų128.986%0.86169%0.687SS**SBendtrans167.616.4155-84.4-28000116
416L30.2Very low44Very low146 Ų146125.3 Ų125.376%0.76467%0.667SS**  trans-136.571.2161.2-79.3169000109.9I418L416-I418 HydrophobicContact CB-CD1 4.42Å; L416-I418 HydrophobicContact CB-CG1 4.19Å; L416-I418 HydrophobicContact CD2-CD1 3.96Å; L416-I418 HydrophobicContact CD2-CG1 3.9Å; L416-I418 PolarHBondContact O-N 3.1Å
417N28Very low46.5Very low172 Ų172127.3 Ų127.392%0.9267%0.668SS**  trans-6673.1152.5-85.4-9.4000107.8L419N417-L419 PolarHBondContact O-N 3.26Å
418I37.2Very low49.1Very low130 Ų130126.1 Ų126.167%0.66766%0.658SS**  trans-7685.9163.4-65.1175.5000105.4L416 D420L416-I418 HydrophobicContact CB-CD1 4.42Å; L416-I418 HydrophobicContact CB-CG1 4.19Å; L416-I418 HydrophobicContact CD2-CD1 3.96Å; L416-I418 HydrophobicContact CD2-CG1 3.9Å; L416-I418 PolarHBondContact O-N 3.1Å; I418-D420 PolarHBondContact O-N 3.04Å
419L48.6Very low51.6Low133 Ų133118.2 Ų118.270%0.69662%0.619SS**  trans23.894.3149-65.1164.1000114.4N417 V421N417-L419 PolarHBondContact O-N 3.26Å; L419-V421 PolarHBondContact O-N 3.32Å
420D55.7Low54.1Low154 Ų154111.8 Ų111.882%0.82459%0.594SS**  trans-36.9122.7169.9-79.4-39.8000111.2I418 N422I418-D420 PolarHBondContact O-N 3.04Å; D420-N422 PolarHBondContact O-N 2.87Å; D420-N422 VanDerWaalsContact O-N 3.15Å
421V61.7Low56.7Low66 Ų66107.9 Ų107.940%0.458%0.579SS.*  trans-66.3111.5159.7178.90000105.3L419 S423 L426 L653L419-V421 PolarHBondContact O-N 3.32Å; V421-S423 PolarHBondContact O-N 2.91Å; V421-L426 HydrophobicContact CG1-CB 3.95Å; V421-L653 HydrophobicContact CG1-CD1 3.84Å; V421-L653 HydrophobicContact CG1-CD2 3.94Å; V421-L653 HydrophobicContact CG2-CD1 4.04Å
422N69.9Low59.2Low87 Ų87107.4 Ų107.447%0.46557%0.566SS.*  trans-56.2126.8177.2-178.6-12.7000108.7D420 T424 E425 L426D420-N422 PolarHBondContact O-N 2.87Å; D420-N422 VanDerWaalsContact O-N 3.15Å; N422-T424 PolarHBondContact ND2-OG1 2.64Å; N422-T424 PolarHBondContact O-N 3.08Å; N422-T424 PolarHBondContact OD1-N 3.11Å; N422-T424 VanDerWaalsContact OD1-N 3.15Å; N422-T424 PolarHBondContact OD1-OG1 3.44Å; N422-E425 HydrophobicContact CB-CB 4.1Å; N422-E425 WeakPolarHBondContact O-CB 3.45Å; N422-E425 PolarHBondContact O-N 2.95Å; N422-L426 PolarHBondContact O-N 3.23Å
423S75.7Confident61.4Low79 Ų79100.6 Ų100.655%0.55253%0.53SS*.Hα-helixtrans-53.7-38.4-177.753.40000112V421 L426 E427V421-S423 PolarHBondContact O-N 2.91Å; S423-L426 PolarHBondContact O-N 3.05Å; S423-E427 WeakPolarHBondContact O-CG 3.43Å; S423-E427 PolarHBondContact O-N 3.28Å
424T78Confident63.8Low69 Ų6999.5 Ų99.542%0.42352%0.518SS..Hα-helixtrans-67.3-35.8176.148.30000113.3N422 E427 Q428N422-T424 PolarHBondContact ND2-OG1 2.64Å; N422-T424 PolarHBondContact O-N 3.08Å; N422-T424 PolarHBondContact OD1-N 3.11Å; N422-T424 VanDerWaalsContact OD1-N 3.15Å; N422-T424 PolarHBondContact OD1-OG1 3.44Å; T424-E427 PolarHBondContact O-N 2.63Å; T424-Q428 VanDerWaalsContact O-CG 3.27Å; T424-Q428 WeakPolarHBondContact O-CG 3.47Å; T424-Q428 PolarHBondContact O-N 3.13Å
425E77.7Confident65.8Low34 Ų3498.9 Ų98.916%0.15952%0.515CS..Hα-helixtrans-67.8-40.3176.5-171.1-179.1-162.800110.8N422 I429 L653 K656 R657N422-E425 HydrophobicContact CB-CB 4.1Å; N422-E425 WeakPolarHBondContact O-CB 3.45Å; N422-E425 PolarHBondContact O-N 2.95Å; E425-I429 HydrophobicContact CG-CD1 4.41Å; E425-I429 WeakPolarHBondContact O-CG1 3.25Å; E425-I429 PolarHBondContact O-N 3.05Å; E425-I429 VanDerWaalsContact O-N 3.14Å; E425-L653 HydrophobicContact CG-CD2 3.96Å; E425-K656 HydrophobicContact CG-CD 4.26Å; E425-R657 IonicContact OE2-NH2 3.03Å
426L80.2Confident67.3Low60 Ų6096.2 Ų96.231%0.31450%0.5SS..Hα-helixtrans-64.3-46.1174.6-178.761.3000111.7V421 N422 S423 Q428 I429 L430 V649V421-L426 HydrophobicContact CG1-CB 3.95Å; N422-L426 PolarHBondContact O-N 3.23Å; S423-L426 PolarHBondContact O-N 3.05Å; L426-Q428 VanDerWaalsContact C-N 3.33Å; L426-Q428 PolarHBondContact O-N 3.01Å; L426-I429 PolarHBondContact O-N 3.31Å; L426-L430 HydrophobicContact CD1-CD1 4.24Å; L426-L430 HydrophobicContact CD1-CG 4.26Å; L426-L430 HydrophobicContact CG-CD1 4.01Å; L426-L430 HydrophobicContact CG-CG 4.44Å; L426-L430 WeakPolarHBondContact O-CB 3.48Å; L426-L430 VanDerWaalsContact O-CG 3.26Å; L426-L430 WeakPolarHBondContact O-CG 3.25Å; L426-L430 PolarHBondContact O-N 3.42Å; L426-V649 HydrophobicContact CD1-CG1 3.54Å
427E81.7Confident68.1Low127 Ų12797 Ų9759%0.59350%0.5SS*.Hα-helixtrans-59.5-42.4177.6-78.4175.1-175.900112.2S423 T424 L430 Q431S423-E427 WeakPolarHBondContact O-CG 3.43Å; S423-E427 PolarHBondContact O-N 3.28Å; T424-E427 PolarHBondContact O-N 2.63Å; E427-L430 PolarHBondContact O-N 2.75Å; E427-Q431 WeakPolarHBondContact O-CB 3.4Å; E427-Q431 PolarHBondContact O-N 3.49Å
428Q82.4Confident68.1Low101 Ų10193.8 Ų93.847%0.47249%0.491SS..Hα-helixtrans-60.2-49175.3-74.11725.800111.9T424 L426 L430 Q431 E432T424-Q428 VanDerWaalsContact O-CG 3.27Å; T424-Q428 WeakPolarHBondContact O-CG 3.47Å; T424-Q428 PolarHBondContact O-N 3.13Å; L426-Q428 VanDerWaalsContact C-N 3.33Å; L426-Q428 PolarHBondContact O-N 3.01Å; Q428-L430 VanDerWaalsContact C-N 3.32Å; Q428-L430 PolarHBondContact O-N 2.96Å; Q428-Q431 WeakPolarHBondContact O-CB 3.17Å; Q428-Q431 PolarHBondContact O-N 3.03Å; Q428-Q431 VanDerWaalsContact O-N 3.13Å; Q428-E432 WeakPolarHBondContact O-CG 3.36Å; Q428-E432 PolarHBondContact O-N 3.49Å
429I80.9Confident67.7Low2 Ų293.4 Ų93.41%0.0150%0.497CS..Hα-helixtrans-63-41179.8-70.7171.1000110.9E425 L426 Q431 E432 M433 R652 L653 K656E425-I429 HydrophobicContact CG-CD1 4.41Å; E425-I429 WeakPolarHBondContact O-CG1 3.25Å; E425-I429 PolarHBondContact O-N 3.05Å; E425-I429 VanDerWaalsContact O-N 3.14Å; L426-I429 PolarHBondContact O-N 3.31Å; I429-Q431 VanDerWaalsContact C-N 3.29Å; I429-Q431 PolarHBondContact O-N 3.41Å; I429-E432 PolarHBondContact O-N 3.37Å; I429-M433 HydrophobicContact CG2-CG 4.42Å; I429-M433 HydrophobicContact CG2-SD 4Å; I429-M433 WeakPolarHBondContact O-CB 3.3Å; I429-M433 VanDerWaalsContact O-CG 3.22Å; I429-M433 WeakPolarHBondContact O-CG 3.14Å; I429-M433 PolarHBondContact O-N 3.45Å; I429-R652 HydrophobicContact CD1-CB 4.46Å; I429-R652 HydrophobicContact CG2-CB 3.79Å; I429-R652 HydrophobicContact CG2-CG 4.44Å; I429-L653 HydrophobicContact CD1-CB 4.35Å; I429-L653 HydrophobicContact CD1-CD2 3.3Å; I429-L653 HydrophobicContact CD1-CG 3.56Å; I429-K656 HydrophobicContact CD1-CD 4.37Å; I429-K656 HydrophobicContact CG1-CD 4.5Å
430L82.3Confident66.5Low73 Ų7392.7 Ų92.738%0.38250%0.501SS..Hα-helixtrans-63.9-35.6176.3-70174000111.9L426 E427 Q428 K434 V649L426-L430 HydrophobicContact CD1-CD1 4.24Å; L426-L430 HydrophobicContact CD1-CG 4.26Å; L426-L430 HydrophobicContact CG-CD1 4.01Å; L426-L430 HydrophobicContact CG-CG 4.44Å; L426-L430 WeakPolarHBondContact O-CB 3.48Å; L426-L430 VanDerWaalsContact O-CG 3.26Å; L426-L430 WeakPolarHBondContact O-CG 3.25Å; L426-L430 PolarHBondContact O-N 3.42Å; E427-L430 PolarHBondContact O-N 2.75Å; Q428-L430 VanDerWaalsContact C-N 3.32Å; Q428-L430 PolarHBondContact O-N 2.96Å; L430-K434 WeakPolarHBondContact O-CG 3.05Å; L430-K434 PolarHBondContact O-N 2.93Å; L430-K434 VanDerWaalsContact O-N 3.13Å; L430-V649 HydrophobicContact CD2-CG2 4.03Å
431Q81.8Confident65.1Low106 Ų10695.6 Ų95.650%0.49551%0.507SS..Hα-helixtrans-71.2-42.8176.1-160.771.7-1.500112E427 Q428 I429 M433 K434 N435E427-Q431 WeakPolarHBondContact O-CB 3.4Å; E427-Q431 PolarHBondContact O-N 3.49Å; Q428-Q431 WeakPolarHBondContact O-CB 3.17Å; Q428-Q431 PolarHBondContact O-N 3.03Å; Q428-Q431 VanDerWaalsContact O-N 3.13Å; I429-Q431 VanDerWaalsContact C-N 3.29Å; I429-Q431 PolarHBondContact O-N 3.41Å; Q431-M433 VanDerWaalsContact C-N 3.28Å; Q431-M433 PolarHBondContact O-N 3.32Å; Q431-K434 PolarHBondContact O-N 3.12Å; Q431-N435 PolarHBondContact O-N 3.34Å; Q431-N435 VanDerWaalsContact O-N 3.12Å
432E79.1Confident63.5Low82 Ų8295.3 Ų95.338%0.38352%0.518SS..Hα-helixtrans-60.6-38173.6-73.2171.6-159.400112.1Q428 I429 N435 N436Q428-E432 WeakPolarHBondContact O-CG 3.36Å; Q428-E432 PolarHBondContact O-N 3.49Å; I429-E432 PolarHBondContact O-N 3.37Å; E432-N435 PolarHBondContact O-N 2.94Å; E432-N436 PolarHBondContact O-N 3.02Å; E432-N436 PolarHBondContact O-ND2 3.26Å
433M75.2Confident61.4Low33 Ų33101.3 Ų101.316%0.16354%0.54CS..Hα-helixtrans-66.9-40.4176.2-75.317960.700111.9I429 Q431 N435 N436 Q648 V649I429-M433 HydrophobicContact CG2-CG 4.42Å; I429-M433 HydrophobicContact CG2-SD 4Å; I429-M433 WeakPolarHBondContact O-CB 3.3Å; I429-M433 VanDerWaalsContact O-CG 3.22Å; I429-M433 WeakPolarHBondContact O-CG 3.14Å; I429-M433 PolarHBondContact O-N 3.45Å; Q431-M433 VanDerWaalsContact C-N 3.28Å; Q431-M433 PolarHBondContact O-N 3.32Å; M433-N435 VanDerWaalsContact C-N 3.31Å; M433-N435 PolarHBondContact O-N 2.79Å; M433-N436 PolarHBondContact O-N 3.47Å; M433-Q648 HydrophobicContact CE-CB 4.24Å; M433-Q648 VanDerWaalsContact CE-CD 3.41Å; M433-Q648 HydrophobicContact CE-CG 3.83Å; M433-Q648 HydrophobicContact SD-CG 4.47Å; M433-V649 HydrophobicContact CE-CG2 4.3Å; M433-V649 HydrophobicContact SD-CG2 3.85Å
434K76.3Confident59.1Low140 Ų140107 Ų10761%0.60955%0.551SS**Hα-helixtrans-63-36.1175.2-75.8175.5-177.1173.30112.6L430 Q431 N436L430-K434 WeakPolarHBondContact O-CG 3.05Å; L430-K434 PolarHBondContact O-N 2.93Å; L430-K434 VanDerWaalsContact O-N 3.13Å; Q431-K434 PolarHBondContact O-N 3.12Å; K434-N436 VanDerWaalsContact C-N 3.35Å
435N70.9Confident56.8Low122 Ų122107.4 Ų107.465%0.65255%0.554SS**Hα-helixtrans-75.9-21.1-177.8-68.3-12.8000113.6Q431 E432 M433Q431-N435 PolarHBondContact O-N 3.34Å; Q431-N435 VanDerWaalsContact O-N 3.12Å; E432-N435 PolarHBondContact O-N 2.94Å; M433-N435 VanDerWaalsContact C-N 3.31Å; M433-N435 PolarHBondContact O-N 2.79Å
436N59.4Low54.5Low105 Ų105112 Ų11256%0.56157%0.574SS**THydrogen-bonded Turntrans-96.69.2-176.1-76.6-50.7000114.4E432 M433 K434 S438E432-N436 PolarHBondContact O-N 3.02Å; E432-N436 PolarHBondContact O-ND2 3.26Å; M433-N436 PolarHBondContact O-N 3.47Å; K434-N436 VanDerWaalsContact C-N 3.35Å; N436-S438 PolarHBondContact O-N 3.05Å
437E46.4Very low52.1Low163 Ų163114 Ų11476%0.76258%0.582SS**  trans-72.273.4177.4-70.6-167.7162.600111.9
438S28.8Very low49.7Very low103 Ų103112.2 Ų112.272%0.7258%0.58SS**  trans-93.3135163.6-51.60000109.7N436N436-S438 PolarHBondContact O-N 3.05Å
439P29.2Very low47.2Very low122 Ų122114 Ų11479%0.79259%0.592SS**  trans-77.9137-178.830.4-31.7000111.7
440C23.8Very low45Very low118 Ų118122.1 Ų122.180%0.79763%0.629SS**  trans84.7108169.9-590000118.9
441K26.5Very low42.7Very low215 Ų215120.6 Ų120.694%0.93563%0.625SS**  165.1129.2109.1-88.1166.7-175.81770111.7
442G26.4Very low40.4Very low61 Ų61119.5 Ų119.563%0.62962%0.622SS**  trans111.765.1155.700000117.5Y444G442-Y444 PolarHBondContact O-N 3.43Å
443F26.4Very low38.4Very low212 Ų212118.7 Ų118.793%0.9362%0.62SS**  trans-74.899.8161.4-114.8-96.1000108.7
444Y26.9Very low36.9Very low200 Ų200119.3 Ų119.378%0.78463%0.63SS**  trans-95.7110.1164.1-75-78.5000108.8G442 F446G442-Y444 PolarHBondContact O-N 3.43Å; Y444-F446 PolarHBondContact O-N 3.42Å
445P31.2Very low35.9Very low77 Ų77115.9 Ų115.950%0.562%0.622SS.*  trans-83.7104.1-176.532.7-32.2000110Q447P445-Q447 VanDerWaalsContact C-N 3.32Å; P445-Q447 HydrophobicContact CB-CG 4.08Å; P445-Q447 PolarHBondContact O-N 3.27Å
446F28.9Very low35.5Very low131 Ų131113.8 Ų113.858%0.57560%0.604SS**  trans-68.492.9160.8-137.2-74.9000108Y444 T448 R742Y444-F446 PolarHBondContact O-N 3.42Å; F446-T448 PolarHBondContact O-N 3.37Å; F446-T448 VanDerWaalsContact O-N 3.16Å; F446-R742 VanDerWaalsContact CD1-NH2 3.28Å; F446-R742 VanDerWaalsContact CE1-CZ 3.46Å; F446-R742 VanDerWaalsContact CG-NH2 3.33Å; F446-R742 VanDerWaalsContact CZ-CZ 3.41Å
447Q30.4Very low36Very low101 Ų101109 Ų10947%0.47258%0.579SS.*  trans-8674.3-179-73.3171.2-17.500110.8P445P445-Q447 VanDerWaalsContact C-N 3.32Å; P445-Q447 HydrophobicContact CB-CG 4.08Å; P445-Q447 PolarHBondContact O-N 3.27Å
448T30.9Very low37.3Very low89 Ų89103.1 Ų103.155%0.54656%0.558SS.*  trans-83.8143.6152.310.40000108.2F446 H450 S451F446-T448 PolarHBondContact O-N 3.37Å; F446-T448 VanDerWaalsContact O-N 3.16Å; T448-H450 PolarHBondContact O-N 3.08Å; T448-S451 WeakPolarHBondContact O-CB 3.33Å; T448-S451 PolarHBondContact O-N 3.48Å
449L30.3Very low39.6Very low140 Ų140100.1 Ų100.173%0.73354%0.539SS*.THydrogen-bonded Turntrans-43.9-15.5-172.8-110.1133.1000117.5
450H33.4Very low42.4Very low172 Ų17294.3 Ų94.380%0.79650%0.502SS*.THydrogen-bonded Turntrans-83.7-25.4173.4-74.33.5000114.4T448T448-H450 PolarHBondContact O-N 3.08Å
451S35.4Very low45.3Very low41 Ų4190.6 Ų90.629%0.28747%0.471SS..Hα-helixtrans-72.7-27.9177.9-172.40000112.9T448 N453 A454 T455T448-S451 WeakPolarHBondContact O-CB 3.33Å; T448-S451 PolarHBondContact O-N 3.48Å; S451-N453 PolarHBondContact O-N 2.96Å; S451-N453 VanDerWaalsContact O-N 3.14Å; S451-A454 PolarHBondContact O-N 3.05Å; S451-T455 PolarHBondContact O-N 3.18Å; S451-T455 PolarHBondContact O-OG1 3.07Å
452L31.8Very low48.1Very low82 Ų8287.1 Ų87.143%0.42946%0.458SS..Hα-helixtrans-60.4-25.9178.3-81.8159.8000113.3T455 R456L452-T455 VanDerWaalsContact C-OG1 3.31Å; L452-T455 WeakPolarHBondContact CA-OG1 3.48Å; L452-T455 PolarHBondContact O-OG1 2.85Å; L452-R456 WeakPolarHBondContact O-CD 3.35Å; L452-R456 WeakPolarHBondContact O-CG 3.23Å
453N38.5Very low51Low65 Ų6586.6 Ų86.635%0.34844%0.439SS..Hα-helixtrans-78.7-39.4174.8-71.3-18.7000111.8S451 T455 R456 D457S451-N453 PolarHBondContact O-N 2.96Å; S451-N453 VanDerWaalsContact O-N 3.14Å; N453-T455 PolarHBondContact O-N 3.09Å; N453-R456 PolarHBondContact O-N 3.35Å; N453-D457 PolarHBondContact O-N 3.4Å
454A43Very low54.1Low46 Ų4679.2 Ų79.238%0.3841%0.408SS..Hα-helixtrans-65.9-24.2176.300000112.8S451 D457 A458S451-A454 PolarHBondContact O-N 3.05Å; A454-D457 VanDerWaalsContact C-OD1 3.28Å; A454-D457 VanDerWaalsContact CA-OD1 3.29Å; A454-D457 WeakPolarHBondContact CA-OD1 3.32Å; A454-A458 WeakPolarHBondContact O-CB 3.29Å
455T55.3Low57.1Low69 Ų6974.5 Ų74.542%0.42340%0.404SS..Hα-helixtrans-78.5-20171.550.80000113.2S451 L452 N453 A459S451-T455 PolarHBondContact O-N 3.18Å; S451-T455 PolarHBondContact O-OG1 3.07Å; L452-T455 VanDerWaalsContact C-OG1 3.31Å; L452-T455 WeakPolarHBondContact CA-OG1 3.48Å; L452-T455 PolarHBondContact O-OG1 2.85Å; N453-T455 PolarHBondContact O-N 3.09Å; T455-A459 PolarHBondContact O-N 2.95Å
456R63.2Low59.9Low78 Ų7873.9 Ų73.929%0.29441%0.405SS..Hα-helixtrans-88.6-44.6-172.2-73.5164.886.1177.28.4112.6L452 N453 A458 A459 A460 V562L452-R456 WeakPolarHBondContact O-CD 3.35Å; L452-R456 WeakPolarHBondContact O-CG 3.23Å; N453-R456 PolarHBondContact O-N 3.35Å; R456-A458 PolarHBondContact O-N 2.9Å; R456-A459 PolarHBondContact O-N 3.44Å; R456-A460 PolarHBondContact O-N 3.41Å; R456-V562 PolarHBondContact NE-O 2.91Å; R456-V562 VanDerWaalsContact NH2-CB 3.31Å; R456-V562 PolarHBondContact NH2-O 2.93Å
457D69.6Low62.7Low4 Ų469.3 Ų69.32%0.02140%0.395CS..Hα-helixtrans-64.4-31.2171.868.7-64.7000111N453 A454 A459 A460 R461 T567 S640N453-D457 PolarHBondContact O-N 3.4Å; A454-D457 VanDerWaalsContact C-OD1 3.28Å; A454-D457 VanDerWaalsContact CA-OD1 3.29Å; A454-D457 WeakPolarHBondContact CA-OD1 3.32Å; D457-A459 VanDerWaalsContact C-N 3.34Å; D457-A459 PolarHBondContact O-N 3.26Å; D457-A460 PolarHBondContact O-N 3.31Å; D457-R461 WeakPolarHBondContact O-CB 3.45Å; D457-R461 VanDerWaalsContact O-CG 3.26Å; D457-R461 WeakPolarHBondContact O-CG 3.38Å; D457-R461 PolarHBondContact O-N 3.28Å; D457-R461 IonicContact OD2-CZ 3.61Å; D457-R461 IonicContact OD2-NE 3.9Å; D457-R461 PolarHBondContact OD2-NE 3.14Å; D457-R461 IonicContact OD2-NH2 3.09Å; D457-R461 PolarHBondContact OD2-NH2 3.18Å; D457-T567 HydrophobicContact CB-CG2 4.07Å; D457-S640 PolarHBondContact OD1-OG 3.15Å; D457-S640 VanDerWaalsContact OD1-OG 3.13Å; D457-S640 VanDerWaalsContact OD2-CB 3.23Å; D457-S640 WeakPolarHBondContact OD2-CB 3.42Å; D457-S640 PolarHBondContact OD2-OG 2.77Å
458A72.8Confident65.5Low39 Ų3968.4 Ų68.432%0.32239%0.393SS..Hα-helixtrans-60-40.7174.300000112.7A454 R456 R461 Q462A454-A458 WeakPolarHBondContact O-CB 3.29Å; R456-A458 PolarHBondContact O-N 2.9Å; A458-R461 PolarHBondContact O-N 2.76Å; A458-Q462 WeakPolarHBondContact O-CB 3.46Å; A458-Q462 PolarHBondContact O-N 2.87Å
459A78.2Confident68.5Low40 Ų4064.2 Ų64.233%0.33137%0.368SS..Hα-helixtrans-65.8-47.8176.700000111.9T455 R456 D457 R461 Q462 E463T455-A459 PolarHBondContact O-N 2.95Å; R456-A459 PolarHBondContact O-N 3.44Å; D457-A459 VanDerWaalsContact C-N 3.34Å; D457-A459 PolarHBondContact O-N 3.26Å; A459-R461 VanDerWaalsContact C-N 3.33Å; A459-R461 PolarHBondContact O-N 3.16Å; A459-Q462 WeakPolarHBondContact O-CB 3.45Å; A459-Q462 PolarHBondContact O-N 2.87Å; A459-Q462 VanDerWaalsContact O-N 3.14Å; A459-E463 PolarHBondContact O-N 2.81Å
460A86.4Confident71.5Confident0 Ų060 Ų600%034%0.344CS..Hα-helixtrans-60.6-41.417600000112.3R456 D457 Q462 E463 E464 I469 Y565 Q568R456-A460 PolarHBondContact O-N 3.41Å; D457-A460 PolarHBondContact O-N 3.31Å; A460-Q462 VanDerWaalsContact C-N 3.32Å; A460-Q462 PolarHBondContact O-N 2.87Å; A460-E463 PolarHBondContact O-N 3.02Å; A460-E464 PolarHBondContact O-N 3.16Å; A460-I469 WeakPolarHBondContact O-CD1 3.34Å; A460-Y565 HydrophobicContact CB-CD1 3.73Å; A460-Y565 HydrophobicContact CB-CE1 4.22Å; A460-Q568 HydrophobicContact CB-CB 3.95Å; A460-Q568 HydrophobicContact CB-CG 4.34Å
461R86Confident74.5Confident41 Ų4153.2 Ų53.216%0.15531%0.313CS..Hα-helixtrans-63.3-37.7174.4-75.5-173.3-60.7128.3-0.1112.5D457 A458 A459 E464 S465 Q568 T637 E641D457-R461 WeakPolarHBondContact O-CB 3.45Å; D457-R461 VanDerWaalsContact O-CG 3.26Å; D457-R461 WeakPolarHBondContact O-CG 3.38Å; D457-R461 PolarHBondContact O-N 3.28Å; D457-R461 IonicContact OD2-CZ 3.61Å; D457-R461 IonicContact OD2-NE 3.9Å; D457-R461 PolarHBondContact OD2-NE 3.14Å; D457-R461 IonicContact OD2-NH2 3.09Å; D457-R461 PolarHBondContact OD2-NH2 3.18Å; A458-R461 PolarHBondContact O-N 2.76Å; A459-R461 VanDerWaalsContact C-N 3.33Å; A459-R461 PolarHBondContact O-N 3.16Å; R461-E464 PolarHBondContact O-N 3.19Å; R461-S465 WeakPolarHBondContact O-CB 3.19Å; R461-S465 PolarHBondContact O-N 3.41Å; R461-S465 PolarHBondContact O-OG 3.23Å; R461-Q568 VanDerWaalsContact CG-CD 3.4Å; R461-Q568 HydrophobicContact CG-CG 4.45Å; R461-Q568 VanDerWaalsContact CG-NE2 3.35Å; R461-T637 WeakPolarHBondContact CD-O 3.49Å; R461-E641 IonicContact CZ-OE1 3.73Å; R461-E641 IonicContact NH1-OE1 3.75Å; R461-E641 PolarHBondContact NH1-OE1 2.72Å
462Q84.3Confident77.3Confident141 Ų14154.2 Ų54.266%0.65931%0.312SS*.Hα-helixtrans-64.6-45175.4-173.5176.26.500111A458 A459 A460 E464 S465 A466A458-Q462 WeakPolarHBondContact O-CB 3.46Å; A458-Q462 PolarHBondContact O-N 2.87Å; A459-Q462 WeakPolarHBondContact O-CB 3.45Å; A459-Q462 PolarHBondContact O-N 2.87Å; A459-Q462 VanDerWaalsContact O-N 3.14Å; A460-Q462 VanDerWaalsContact C-N 3.32Å; A460-Q462 PolarHBondContact O-N 2.87Å; Q462-E464 VanDerWaalsContact C-N 3.35Å; Q462-E464 PolarHBondContact O-N 2.91Å; Q462-S465 WeakPolarHBondContact CA-OG 3.07Å; Q462-S465 PolarHBondContact O-N 3.34Å; Q462-S465 PolarHBondContact O-OG 3.13Å; Q462-A466 WeakPolarHBondContact O-CB 3.48Å; Q462-A466 PolarHBondContact O-N 3.2Å
463E88.8Confident80.4Confident50 Ų5053.2 Ų53.223%0.23431%0.307CS..Hα-helixtrans-61.9-40.4174.9-72-173.3-127.900112.4A459 A460 A466 G467 N468 I469 Y565A459-E463 PolarHBondContact O-N 2.81Å; A460-E463 PolarHBondContact O-N 3.02Å; E463-A466 PolarHBondContact O-N 3.35Å; E463-G467 PolarHBondContact O-N 2.92Å; E463-G467 VanDerWaalsContact O-N 3.16Å; E463-N468 HydrophobicContact CB-CB 4.24Å; E463-N468 PolarHBondContact O-N 3.16Å; E463-I469 HydrophobicContact CB-CD1 4.16Å; E463-I469 HydrophobicContact CB-CG1 4.13Å; E463-Y565 VanDerWaalsContact CD-OH 3.27Å; E463-Y565 PolarHBondContact OE1-OH 3.43Å; E463-Y565 PolarHBondContact OE2-OH 3.01Å
464E91.7Very high83.1Confident58 Ų5850.8 Ų50.827%0.27129%0.294SS..Hα-helixtrans-62.4-46.3174.2-177.6-179.4-175.700111A460 R461 Q462 A466 G467 I469 F471 Q568 H572A460-E464 PolarHBondContact O-N 3.16Å; R461-E464 PolarHBondContact O-N 3.19Å; Q462-E464 VanDerWaalsContact C-N 3.35Å; Q462-E464 PolarHBondContact O-N 2.91Å; E464-A466 PolarHBondContact O-N 3.36Å; E464-G467 PolarHBondContact O-N 2.97Å; E464-I469 HydrophobicContact CB-CD1 4.13Å; E464-I469 HydrophobicContact CB-CG1 3.84Å; E464-F471 HydrophobicContact CB-CE2 4.38Å; E464-F471 HydrophobicContact CG-CD2 4.28Å; E464-F471 HydrophobicContact CG-CE2 4.09Å; E464-F471 WeakPolarHBondContact OE2-CE2 3.43Å; E464-Q568 PolarHBondContact OE2-NE2 3.43Å; E464-H572 VanDerWaalsContact CD-NE2 3.27Å; E464-H572 IonicContact OE1-CE1 2.95Å; E464-H572 PolarHBondContact OE1-CE1 2.87Å; E464-H572 IonicContact OE1-NE2 3.74Å; E464-H572 PolarHBondContact OE1-NE2 3.12Å; E464-H572 IonicContact OE2-CE1 2.82Å; E464-H572 IonicContact OE2-NE2 3.73Å; E464-H572 PolarHBondContact OE2-NE2 3.45Å
465S89.1Confident85.5Confident101 Ų10151.1 Ų51.171%0.70629%0.29SS*.Hα-helixtrans-66.5-25.1177.871.70000113.7R461 Q462 G467R461-S465 WeakPolarHBondContact O-CB 3.19Å; R461-S465 PolarHBondContact O-N 3.41Å; R461-S465 PolarHBondContact O-OG 3.23Å; Q462-S465 WeakPolarHBondContact CA-OG 3.07Å; Q462-S465 PolarHBondContact O-N 3.34Å; Q462-S465 PolarHBondContact O-OG 3.13Å; S465-G467 VanDerWaalsContact C-N 3.3Å
466A88.9Confident87.2Confident64 Ų6448.5 Ų48.553%0.52927%0.273SS..THydrogen-bonded Turntrans-81.9-10.4173.900000112.5Q462 E463 E464 N468Q462-A466 WeakPolarHBondContact O-CB 3.48Å; Q462-A466 PolarHBondContact O-N 3.2Å; E463-A466 PolarHBondContact O-N 3.35Å; E464-A466 PolarHBondContact O-N 3.36Å; A466-N468 VanDerWaalsContact C-N 3.33Å
467G89Confident88.3Confident35 Ų3547.3 Ų47.336%0.36128%0.277SS..THydrogen-bonded Turntrans7912.5-175.800000114.2E463 E464 S465 I469 V526E463-G467 PolarHBondContact O-N 2.92Å; E463-G467 VanDerWaalsContact O-N 3.16Å; E464-G467 PolarHBondContact O-N 2.97Å; S465-G467 VanDerWaalsContact C-N 3.3Å; G467-I469 VanDerWaalsContact C-N 3.3Å; G467-V526 VanDerWaalsContact O-CG2 3.23Å; G467-V526 WeakPolarHBondContact O-CG2 3.24Å
468N89.1Confident89Confident81 Ų8152.5 Ų52.543%0.43330%0.304SS..SBendtrans-76.7-21.8178.7-64.2-12.2000112.1E463 A466 V526E463-N468 HydrophobicContact CB-CB 4.24Å; E463-N468 PolarHBondContact O-N 3.16Å; A466-N468 VanDerWaalsContact C-N 3.33Å; N468-V526 PolarHBondContact O-N 3.3Å
469I93.5Very high89.6Confident1 Ų154.2 Ų54.21%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-136.4152.7175.164.9174.8000110.7A460 E463 E464 G467 F471 L523 L524 K525 Y565A460-I469 WeakPolarHBondContact O-CD1 3.34Å; E463-I469 HydrophobicContact CB-CD1 4.16Å; E463-I469 HydrophobicContact CB-CG1 4.13Å; E464-I469 HydrophobicContact CB-CD1 4.13Å; E464-I469 HydrophobicContact CB-CG1 3.84Å; G467-I469 VanDerWaalsContact C-N 3.3Å; I469-F471 HydrophobicContact CD1-CE2 4.1Å; I469-F471 HydrophobicContact CD1-CZ 4.05Å; I469-F471 HydrophobicContact CG1-CE2 4.48Å; I469-L523 HydrophobicContact CB-CD1 3.94Å; I469-L523 HydrophobicContact CD1-CD1 4.11Å; I469-L523 HydrophobicContact CG1-CD1 4.47Å; I469-L523 HydrophobicContact CG2-CD1 4.37Å; I469-L524 CarbonylContact C-O 3.53Å; I469-L524 WeakPolarHBondContact CA-O 3.38Å; I469-L524 WeakPolarHBondContact CB-O 3.47Å; I469-K525 HydrophobicContact CG2-CG 4.42Å; I469-Y565 HydrophobicContact CD1-CD1 3.75Å; I469-Y565 HydrophobicContact CD1-CE1 3.65Å; I469-Y565 HydrophobicContact CG2-CE1 4.09Å
470E93.9Very high89.6Confident51 Ų5158.2 Ų58.224%0.23833%0.33CS..EExtended strand (participates in β ladder)trans-138.5150.5178.4-62.8-179.4-166.900111.6H472 L524 K532E470-H472 IonicContact OE2-CD2 3.96Å; E470-H472 IonicContact OE2-CE1 3.73Å; E470-H472 IonicContact OE2-NE2 3.22Å; E470-H472 PolarHBondContact OE2-NE2 3.28Å; E470-L524 HydrophobicContact CB-CB 4.43Å; E470-L524 PolarHBondContact N-O 3.4Å; E470-L524 PolarHBondContact O-N 3.18Å; E470-K532 VanDerWaalsContact OE1-CE 3.24Å; E470-K532 WeakPolarHBondContact OE1-CE 3.34Å; E470-K532 IonicContact OE1-NZ 3.37Å; E470-K532 PolarHBondContact OE1-NZ 3.19Å; E470-K532 IonicContact OE2-NZ 2.75Å; E470-K532 PolarHBondContact OE2-NZ 3.39Å
471F95.7Very high89.5Confident31 Ų3165 Ų6514%0.13637%0.367CS..EExtended strand (participates in β ladder)trans-116.9125.3177.4-61.4-81.9000110.6E464 I469 L521 I522 L523 Q568 M569 H572E464-F471 HydrophobicContact CB-CE2 4.38Å; E464-F471 HydrophobicContact CG-CD2 4.28Å; E464-F471 HydrophobicContact CG-CE2 4.09Å; E464-F471 WeakPolarHBondContact OE2-CE2 3.43Å; I469-F471 HydrophobicContact CD1-CE2 4.1Å; I469-F471 HydrophobicContact CD1-CZ 4.05Å; I469-F471 HydrophobicContact CG1-CE2 4.48Å; F471-L521 HydrophobicContact CB-CD1 4.23Å; F471-I522 WeakPolarHBondContact CA-O 3.4Å; F471-L523 HydrophobicContact CD1-CB 4.31Å; F471-L523 HydrophobicContact CD1-CD1 4.11Å; F471-L523 HydrophobicContact CE1-CB 4.09Å; F471-L523 HydrophobicContact CE1-CD1 3.44Å; F471-L523 VanDerWaalsContact CE1-CD1 3.44Å; F471-L523 HydrophobicContact CE1-CG 4.24Å; F471-L523 HydrophobicContact CE2-CD1 4.44Å; F471-L523 HydrophobicContact CZ-CD1 3.64Å; F471-Q568 HydrophobicContact CE2-CG 3.74Å; F471-Q568 HydrophobicContact CZ-CB 4.05Å; F471-Q568 HydrophobicContact CZ-CG 3.55Å; F471-M569 HydrophobicContact CD1-CG 4.08Å; F471-M569 HydrophobicContact CE1-CB 4.3Å; F471-M569 HydrophobicContact CE1-CG 3.46Å; F471-M569 VanDerWaalsContact CE1-CG 3.46Å; F471-M569 HydrophobicContact CZ-CG 4.49Å; F471-H572 AromaticContact CD2-CD2 3.36Å; F471-H572 WeakPolarHBondContact CD2-CD2 3.46Å; F471-H572 AromaticContact CD2-NE2 3.24Å; F471-H572 WeakPolarHBondContact CD2-NE2 3.29Å; F471-H572 AromaticContact CE2-CD2 3.58Å; F471-H572 AromaticContact CE2-NE2 3.53Å; F471-H572 AromaticContact CG-CD2 3.62Å; F471-H572 AromaticContact CG-NE2 3.91Å
472H95.1Very high89.4Confident61 Ų6164 Ų6428%0.28236%0.364SS..EExtended strand (participates in β ladder)trans-131.7135.1-179.1-68.6-92.4000110.9E470 W489 L521 I522E470-H472 IonicContact OE2-CD2 3.96Å; E470-H472 IonicContact OE2-CE1 3.73Å; E470-H472 IonicContact OE2-NE2 3.22Å; E470-H472 PolarHBondContact OE2-NE2 3.28Å; H472-W489 HydrophobicContact CB-CZ3 4.11Å; H472-L521 CarbonylContact O-C 3.56Å; H472-L521 WeakPolarHBondContact O-CA 3.15Å; H472-I522 PolarHBondContact N-O 3.32Å; H472-I522 PolarHBondContact O-N 3.3Å
473I96Very high89.6Confident62 Ų6261 Ų6132%0.31836%0.356SS..EExtended strand (participates in β ladder)trans-95.8118.3171.6-65.2174.2000108.3K519 N520 L521 F540 Y576I473-K519 HydrophobicContact CG2-CB 4.36Å; I473-K519 HydrophobicContact CG2-CD 4.43Å; I473-N520 CarbonylContact C-O 3.57Å; I473-N520 WeakPolarHBondContact CA-O 3.3Å; I473-L521 HydrophobicContact CD1-CD1 4.41Å; I473-L521 HydrophobicContact CG1-CB 4.42Å; I473-L521 HydrophobicContact CG1-CD1 3.67Å; I473-F540 HydrophobicContact CG2-CZ 4.41Å; I473-Y576 HydrophobicContact CD1-CD1 3.76Å; I473-Y576 HydrophobicContact CD1-CD2 3.11Å; I473-Y576 HydrophobicContact CD1-CE1 4.01Å; I473-Y576 HydrophobicContact CD1-CE2 3.35Å; I473-Y576 HydrophobicContact CD1-CG 3.31Å
474V94.4Very high89.5Confident13 Ų1363.4 Ų63.48%0.07938%0.376CS..EExtended strand (participates in β ladder)trans-129.7152.3179.9-62.60000111.9T486 W489 L490 N520 I522V474-T486 HydrophobicContact CB-CG2 4.05Å; V474-T486 HydrophobicContact CG1-CG2 4.34Å; V474-W489 HydrophobicContact CG1-CE3 3.85Å; V474-W489 HydrophobicContact CG1-CZ3 4.14Å; V474-L490 HydrophobicContact CG2-CD2 3.85Å; V474-L490 HydrophobicContact CG2-CG 4.36Å; V474-N520 HydrophobicContact CG2-CB 4.21Å; V474-N520 PolarHBondContact N-O 2.89Å; V474-N520 WeakPolarHBondContact O-CA 3.32Å; V474-N520 WeakPolarHBondContact O-CB 3.39Å; V474-N520 PolarHBondContact O-N 2.8Å; V474-I522 HydrophobicContact CG2-CD1 3.24Å; V474-I522 HydrophobicContact CG2-CG1 3.82Å
475N93.4Very high89.4Confident53 Ų5364.6 Ų64.628%0.28338%0.382SS..  trans-145.3160.5173.765.7-48000109.7S477 Q482 H518 K519N475-S477 PolarHBondContact O-N 3.03Å; N475-S477 VanDerWaalsContact O-N 3.14Å; N475-Q482 PolarHBondContact O-OE1 3.12Å; N475-Q482 VanDerWaalsContact O-OE1 3.12Å; N475-H518 WeakPolarHBondContact CB-O 3.41Å; N475-K519 HydrophobicContact CB-CG 4.09Å
476N91.8Very high89.5Confident14 Ų1460.7 Ų60.78%0.07535%0.354CS..  trans-7797.3168.4-175.714.9000108.8L478 L490 F514 P516N476-L478 VanDerWaalsContact ND2-CD2 3.35Å; N476-L478 WeakPolarHBondContact ND2-CD2 3.25Å; N476-L478 PolarHBondContact O-N 3.17Å; N476-L478 PolarHBondContact OD1-N 3.37Å; N476-L490 HydrophobicContact CB-CD1 4.26Å; N476-F514 WeakPolarHBondContact CB-O 3.39Å; N476-F514 PolarHBondContact ND2-O 3.42Å; N476-P516 WeakPolarHBondContact O-CA 3.45Å; N476-P516 WeakPolarHBondContact O-CB 3.43Å
477S86.2Confident89.6Confident54 Ų5461.6 Ų61.638%0.37834%0.344SS..  trans-71.4-9.3-179.964.30000113.7N475 N479 Q482N475-S477 PolarHBondContact O-N 3.03Å; N475-S477 VanDerWaalsContact O-N 3.14Å; S477-N479 PolarHBondContact O-N 2.81Å; S477-N479 WeakPolarHBondContact OG-CB 3.43Å; S477-N479 PolarHBondContact OG-N 2.93Å; S477-Q482 PolarHBondContact OG-OE1 3.5Å
478L84.3Confident89.7Confident112 Ų11263.7 Ų63.759%0.58635%0.346SS*.  trans54.711.6-169-57.8175.3000113.6N476 P516N476-L478 VanDerWaalsContact ND2-CD2 3.35Å; N476-L478 WeakPolarHBondContact ND2-CD2 3.25Å; N476-L478 PolarHBondContact O-N 3.17Å; N476-L478 PolarHBondContact OD1-N 3.37Å; L478-P516 HydrophobicContact CD1-CB 4.09Å; L478-P516 HydrophobicContact CD1-CG 3.77Å; L478-P516 HydrophobicContact CG-CB 4.28Å; L478-P516 HydrophobicContact CG-CG 4.4Å
479N85.2Confident90Very high76 Ų7661.3 Ų61.341%0.40633%0.331SS..  trans-80.3125.9176.6-172.5-23.5000108.9S477 N481 Q482S477-N479 PolarHBondContact O-N 2.81Å; S477-N479 WeakPolarHBondContact OG-CB 3.43Å; S477-N479 PolarHBondContact OG-N 2.93Å; N479-N481 PolarHBondContact O-N 2.73Å; N479-N481 VanDerWaalsContact O-N 3.09Å; N479-N481 PolarHBondContact OD1-N 2.94Å; N479-Q482 VanDerWaalsContact O-CB 3.31Å; N479-Q482 WeakPolarHBondContact O-CB 3.37Å; N479-Q482 PolarHBondContact O-N 3.42Å
480P79.4Confident90Very high123 Ų12361.2 Ų61.280%0.79933%0.331SS*.THydrogen-bonded Turntrans-59.2-20.8176.921.8-32.2000113.7Q482P480-Q482 VanDerWaalsContact C-N 3.35Å
481N82.8Confident89.9Confident143 Ų14363 Ų6377%0.76534%0.342SS*.THydrogen-bonded Turntrans-90.711.4177.3-63.3-25000113.9N479N479-N481 PolarHBondContact O-N 2.73Å; N479-N481 VanDerWaalsContact O-N 3.09Å; N479-N481 PolarHBondContact OD1-N 2.94Å
482Q83.9Confident89.8Confident21 Ų2163.5 Ų63.510%0.09834%0.344CS..SBendtrans-65.2133.8177.5-174.7172.5-79.200110.6N475 S477 N479 P480 T486 Y487N475-Q482 PolarHBondContact O-OE1 3.12Å; N475-Q482 VanDerWaalsContact O-OE1 3.12Å; S477-Q482 PolarHBondContact OG-OE1 3.5Å; N479-Q482 VanDerWaalsContact O-CB 3.31Å; N479-Q482 WeakPolarHBondContact O-CB 3.37Å; N479-Q482 PolarHBondContact O-N 3.42Å; P480-Q482 VanDerWaalsContact C-N 3.35Å; Q482-T486 HydrophobicContact CG-CG2 4.05Å; Q482-Y487 HydrophobicContact CB-CE2 4.09Å; Q482-Y487 HydrophobicContact CG-CE2 4.22Å; Q482-Y487 VanDerWaalsContact NE2-CE2 3.34Å; Q482-Y487 VanDerWaalsContact NE2-CZ 3.28Å
483P88.8Confident89.8Confident77 Ų7760.6 Ų60.650%0.533%0.331SS..  trans-55.4135179.1-25.734.1000111.7Q485 T486P483-Q485 PolarHBondContact O-N 3.2Å; P483-T486 WeakPolarHBondContact O-CB 3.46Å; P483-T486 PolarHBondContact O-N 3.32Å; P483-T486 PolarHBondContact O-OG1 2.95Å
484P88.2Confident89.7Confident101 Ų10158.8 Ų58.866%0.65632%0.322SS*.Hα-helixtrans-53.3-32.6176.7-28.135000113T486 Y487 I488P484-T486 PolarHBondContact O-N 3.49Å; P484-Y487 PolarHBondContact O-N 3.38Å; P484-I488 PolarHBondContact O-N 3.03Å; P484-I488 VanDerWaalsContact O-N 3.12Å
485Q89.3Confident89.5Confident83 Ų8362.9 Ų62.939%0.38834%0.343SS..Hα-helixtrans-55.5-35.7176.2-166.561.651.500113.2P483 Y487 I488 W489P483-Q485 PolarHBondContact O-N 3.2Å; Q485-Y487 VanDerWaalsContact C-N 3.33Å; Q485-Y487 PolarHBondContact O-N 3.2Å; Q485-I488 PolarHBondContact O-N 3.37Å; Q485-W489 HydrophobicContact CG-CD2 4.03Å; Q485-W489 HydrophobicContact CG-CH2 4.15Å; Q485-W489 HydrophobicContact CG-CZ2 3.61Å; Q485-W489 VanDerWaalsContact NE2-CD1 3.34Å; Q485-W489 PolarHBondContact O-N 3Å
486T91.1Very high89.5Confident18 Ų1860.8 Ų60.811%0.1133%0.332CS..Hα-helixtrans-63.1-41.5177.5-550000111V474 Q482 P483 P484 W489 L490V474-T486 HydrophobicContact CB-CG2 4.05Å; V474-T486 HydrophobicContact CG1-CG2 4.34Å; Q482-T486 HydrophobicContact CG-CG2 4.05Å; P483-T486 WeakPolarHBondContact O-CB 3.46Å; P483-T486 PolarHBondContact O-N 3.32Å; P483-T486 PolarHBondContact O-OG1 2.95Å; P484-T486 PolarHBondContact O-N 3.49Å; T486-W489 PolarHBondContact O-N 3.4Å; T486-L490 HydrophobicContact CG2-CD1 4.22Å; T486-L490 WeakPolarHBondContact O-CB 3.37Å; T486-L490 VanDerWaalsContact O-CG 3.23Å; T486-L490 WeakPolarHBondContact O-CG 3.39Å; T486-L490 PolarHBondContact O-N 2.87Å
487Y90.5Very high89.6Confident83 Ų8360.1 Ų60.133%0.32533%0.328SS..Hα-helixtrans-68.1-39.9176.8-70.1-74.7000112Q482 P484 Q485 W489 L490 L491 F514Q482-Y487 HydrophobicContact CB-CE2 4.09Å; Q482-Y487 HydrophobicContact CG-CE2 4.22Å; Q482-Y487 VanDerWaalsContact NE2-CE2 3.34Å; Q482-Y487 VanDerWaalsContact NE2-CZ 3.28Å; P484-Y487 PolarHBondContact O-N 3.38Å; Q485-Y487 VanDerWaalsContact C-N 3.33Å; Q485-Y487 PolarHBondContact O-N 3.2Å; Y487-W489 PolarHBondContact O-N 3.02Å; Y487-L490 PolarHBondContact O-N 3.35Å; Y487-L491 WeakPolarHBondContact O-CB 3.33Å; Y487-L491 VanDerWaalsContact O-CG 3.3Å; Y487-L491 WeakPolarHBondContact O-CG 3.36Å; Y487-L491 PolarHBondContact O-N 3.44Å; Y487-F514 HydrophobicContact CD1-CE1 4.41Å
488I91.3Very high89.8Confident80 Ų8058.2 Ų58.241%0.4132%0.316SS..Hα-helixtrans-58.1-50174.9-63.9171.3000109.8P484 Q485 L490 L491 E492P484-I488 PolarHBondContact O-N 3.03Å; P484-I488 VanDerWaalsContact O-N 3.12Å; Q485-I488 PolarHBondContact O-N 3.37Å; I488-L490 PolarHBondContact O-N 2.85Å; I488-L491 PolarHBondContact O-N 3.21Å; I488-E492 HydrophobicContact CG2-CG 4.44Å; I488-E492 WeakPolarHBondContact O-CG 3.25Å; I488-E492 PolarHBondContact O-N 3.45Å
489W94.4Very high89.9Confident30 Ų3058.9 Ų58.911%0.11432%0.319CS..Hα-helixtrans-64.4-38178.8-66.7-22.1000113.2H472 V474 Q485 T486 Y487 L491 E492 L493 I522 L524H472-W489 HydrophobicContact CB-CZ3 4.11Å; V474-W489 HydrophobicContact CG1-CE3 3.85Å; V474-W489 HydrophobicContact CG1-CZ3 4.14Å; Q485-W489 HydrophobicContact CG-CD2 4.03Å; Q485-W489 HydrophobicContact CG-CH2 4.15Å; Q485-W489 HydrophobicContact CG-CZ2 3.61Å; Q485-W489 VanDerWaalsContact NE2-CD1 3.34Å; Q485-W489 PolarHBondContact O-N 3Å; T486-W489 PolarHBondContact O-N 3.4Å; Y487-W489 PolarHBondContact O-N 3.02Å; W489-L491 VanDerWaalsContact C-N 3.34Å; W489-E492 PolarHBondContact O-N 3.35Å; W489-L493 VanDerWaalsContact O-CB 3.29Å; W489-L493 WeakPolarHBondContact O-CB 3.48Å; W489-L493 PolarHBondContact O-N 2.97Å; W489-I522 HydrophobicContact CB-CD1 3.66Å; W489-L524 HydrophobicContact CD2-CD1 4.16Å; W489-L524 HydrophobicContact CD2-CD2 4.45Å; W489-L524 HydrophobicContact CG-CD2 4.24Å; W489-L524 HydrophobicContact CH2-CD1 4.03Å; W489-L524 HydrophobicContact CZ2-CD1 3.46Å; W489-L524 VanDerWaalsContact CZ2-CD1 3.46Å
490L94.2Very high90.1Very high0 Ų057.8 Ų57.80%031%0.312CS..Hα-helixtrans-64.8-38.1174.6-70.3172.8000111.9V474 N476 T486 Y487 I488 L494 I513 F514 N520V474-L490 HydrophobicContact CG2-CD2 3.85Å; V474-L490 HydrophobicContact CG2-CG 4.36Å; N476-L490 HydrophobicContact CB-CD1 4.26Å; T486-L490 HydrophobicContact CG2-CD1 4.22Å; T486-L490 WeakPolarHBondContact O-CB 3.37Å; T486-L490 VanDerWaalsContact O-CG 3.23Å; T486-L490 WeakPolarHBondContact O-CG 3.39Å; T486-L490 PolarHBondContact O-N 2.87Å; Y487-L490 PolarHBondContact O-N 3.35Å; I488-L490 PolarHBondContact O-N 2.85Å; L490-L494 WeakPolarHBondContact O-CB 3.49Å; L490-L494 PolarHBondContact O-N 3.49Å; L490-I513 HydrophobicContact CB-CG2 4.14Å; L490-I513 HydrophobicContact CD2-CG2 3.79Å; L490-F514 HydrophobicContact CB-CD1 4.5Å; L490-F514 HydrophobicContact CB-CE1 3.76Å; L490-F514 HydrophobicContact CB-CZ 4.16Å; L490-F514 HydrophobicContact CD1-CD1 4.18Å; L490-F514 HydrophobicContact CD1-CE1 4.07Å; L490-N520 HydrophobicContact CD2-CB 4.3Å; L490-N520 WeakPolarHBondContact CD2-ND2 3.46Å
491L92.2Very high90.5Very high89 Ų8953.5 Ų53.547%0.46628%0.282SS..Hα-helixtrans-69.1-42.9175.5-73.9169.1000112.2Y487 I488 W489 L493 L494 N495 F514Y487-L491 WeakPolarHBondContact O-CB 3.33Å; Y487-L491 VanDerWaalsContact O-CG 3.3Å; Y487-L491 WeakPolarHBondContact O-CG 3.36Å; Y487-L491 PolarHBondContact O-N 3.44Å; I488-L491 PolarHBondContact O-N 3.21Å; W489-L491 VanDerWaalsContact C-N 3.34Å; L491-L493 VanDerWaalsContact C-N 3.32Å; L491-L493 PolarHBondContact O-N 3Å; L491-L494 WeakPolarHBondContact O-CB 3.41Å; L491-L494 PolarHBondContact O-N 2.88Å; L491-N495 PolarHBondContact O-N 2.96Å; L491-N495 PolarHBondContact O-ND2 3.22Å; L491-F514 HydrophobicContact CD2-CE2 4.34Å; L491-F514 HydrophobicContact CD2-CZ 3.79Å; L491-F514 HydrophobicContact CG-CZ 4.12Å
492E93.4Very high90.4Very high40 Ų4052 Ų5219%0.18728%0.281CS..Hα-helixtrans-62.1-42.9174-69.6-173.2150.700110.7I488 W489 L494 N495 V496 H533 A534I488-E492 HydrophobicContact CG2-CG 4.44Å; I488-E492 WeakPolarHBondContact O-CG 3.25Å; I488-E492 PolarHBondContact O-N 3.45Å; W489-E492 PolarHBondContact O-N 3.35Å; E492-L494 PolarHBondContact O-N 3.06Å; E492-N495 WeakPolarHBondContact O-CB 3.12Å; E492-N495 PolarHBondContact O-N 3.46Å; E492-N495 VanDerWaalsContact O-N 3.16Å; E492-V496 WeakPolarHBondContact O-CG2 3.39Å; E492-V496 PolarHBondContact O-N 2.91Å; E492-H533 IonicContact OE1-CE1 2.9Å; E492-H533 IonicContact OE1-CG 3.82Å; E492-H533 IonicContact OE1-ND1 3.75Å; E492-H533 PolarHBondContact OE1-ND1 3.39Å; E492-A534 HydrophobicContact CB-CB 3.66Å; E492-A534 PolarHBondContact OE2-N 3.41Å
493L94.7Very high90.3Very high0 Ų060.2 Ų60.20%031%0.311CS..Hα-helixtrans-64.3-38.5176.3-172.970.3000112.5W489 L491 N495 V496 F497 N520 I522W489-L493 VanDerWaalsContact O-CB 3.29Å; W489-L493 WeakPolarHBondContact O-CB 3.48Å; W489-L493 PolarHBondContact O-N 2.97Å; L491-L493 VanDerWaalsContact C-N 3.32Å; L491-L493 PolarHBondContact O-N 3Å; L493-N495 VanDerWaalsContact C-N 3.29Å; L493-N495 PolarHBondContact O-N 3.21Å; L493-V496 PolarHBondContact O-N 2.76Å; L493-F497 HydrophobicContact CD1-CD2 4.49Å; L493-F497 HydrophobicContact CD1-CE1 4.17Å; L493-F497 HydrophobicContact CD1-CE2 3.92Å; L493-F497 HydrophobicContact CD1-CZ 3.74Å; L493-F497 HydrophobicContact CD2-CD2 4.39Å; L493-F497 HydrophobicContact CD2-CE2 3.58Å; L493-F497 HydrophobicContact CD2-CZ 4.02Å; L493-F497 HydrophobicContact CG-CD2 4Å; L493-F497 HydrophobicContact CG-CE2 3.55Å; L493-F497 HydrophobicContact CG-CZ 3.92Å; L493-F497 PolarHBondContact O-N 3.04Å; L493-N520 HydrophobicContact CD2-CB 3.62Å; L493-I522 HydrophobicContact CB-CD1 4.18Å; L493-I522 HydrophobicContact CD1-CG1 4.46Å; L493-I522 HydrophobicContact CD2-CD1 4.14Å; L493-I522 HydrophobicContact CD2-CG1 3.9Å
494L94Very high90.1Very high25 Ų2559.1 Ų59.113%0.13130%0.299CS..Hα-helixtrans-56-46.6171.6172.860000110.9L490 L491 E492 V496 F497 A498 I509 A510 I513 F514L490-L494 WeakPolarHBondContact O-CB 3.49Å; L490-L494 PolarHBondContact O-N 3.49Å; L491-L494 WeakPolarHBondContact O-CB 3.41Å; L491-L494 PolarHBondContact O-N 2.88Å; E492-L494 PolarHBondContact O-N 3.06Å; L494-V496 VanDerWaalsContact C-N 3.34Å; L494-V496 PolarHBondContact O-N 2.96Å; L494-F497 PolarHBondContact O-N 3.27Å; L494-A498 WeakPolarHBondContact O-CB 3.02Å; L494-A498 PolarHBondContact O-N 3.3Å; L494-I509 HydrophobicContact CD1-CB 4.04Å; L494-I509 HydrophobicContact CD1-CG2 3.55Å; L494-A510 HydrophobicContact CD1-CB 3.85Å; L494-A510 HydrophobicContact CD2-CB 3.87Å; L494-I513 HydrophobicContact CB-CD1 3.69Å; L494-I513 HydrophobicContact CD1-CD1 3.86Å; L494-I513 HydrophobicContact CG-CD1 4.39Å; L494-F514 HydrophobicContact CD2-CE2 4.14Å
495N91.5Very high90.1Very high99 Ų9957.9 Ų57.953%0.52929%0.291SS..Hα-helixtrans-63-42177.5-69.6-25.3000111.5L491 E492 L493 A498 L499L491-N495 PolarHBondContact O-N 2.96Å; L491-N495 PolarHBondContact O-ND2 3.22Å; E492-N495 WeakPolarHBondContact O-CB 3.12Å; E492-N495 PolarHBondContact O-N 3.46Å; E492-N495 VanDerWaalsContact O-N 3.16Å; L493-N495 VanDerWaalsContact C-N 3.29Å; L493-N495 PolarHBondContact O-N 3.21Å; N495-A498 PolarHBondContact O-N 3.17Å; N495-L499 WeakPolarHBondContact O-CB 3.29Å; N495-L499 WeakPolarHBondContact O-CD1 3.39Å; N495-L499 VanDerWaalsContact O-CG 3.23Å; N495-L499 WeakPolarHBondContact O-CG 3.39Å; N495-L499 PolarHBondContact O-N 2.99Å
496V92.4Very high90Very high8 Ų859.3 Ų59.35%0.04830%0.296CS..Hα-helixtrans-58.7-51.1174.6174.40000111.1E492 L493 L494 L499 Q500 A534 I557E492-V496 WeakPolarHBondContact O-CG2 3.39Å; E492-V496 PolarHBondContact O-N 2.91Å; L493-V496 PolarHBondContact O-N 2.76Å; L494-V496 VanDerWaalsContact C-N 3.34Å; L494-V496 PolarHBondContact O-N 2.96Å; V496-L499 PolarHBondContact O-N 3.44Å; V496-Q500 HydrophobicContact CG1-CG 4.25Å; V496-Q500 WeakPolarHBondContact O-CB 3.29Å; V496-Q500 VanDerWaalsContact O-CG 3.23Å; V496-Q500 WeakPolarHBondContact O-CG 3.2Å; V496-Q500 PolarHBondContact O-N 3.25Å; V496-A534 WeakPolarHBondContact CG2-O 3.1Å; V496-I557 HydrophobicContact CB-CG2 4.3Å; V496-I557 HydrophobicContact CG1-CG2 3.83Å; V496-I557 HydrophobicContact CG2-CG2 3.72Å
497F94.6Very high89.9Confident0 Ų065.3 Ų65.30%032%0.323CS..Hα-helixtrans-66.3-41.2179.9-69.5-30.4000112.8L493 L494 L499 Q500 L501 I509 I513 G537 C539 F553 A555L493-F497 HydrophobicContact CD1-CD2 4.49Å; L493-F497 HydrophobicContact CD1-CE1 4.17Å; L493-F497 HydrophobicContact CD1-CE2 3.92Å; L493-F497 HydrophobicContact CD1-CZ 3.74Å; L493-F497 HydrophobicContact CD2-CD2 4.39Å; L493-F497 HydrophobicContact CD2-CE2 3.58Å; L493-F497 HydrophobicContact CD2-CZ 4.02Å; L493-F497 HydrophobicContact CG-CD2 4Å; L493-F497 HydrophobicContact CG-CE2 3.55Å; L493-F497 HydrophobicContact CG-CZ 3.92Å; L493-F497 PolarHBondContact O-N 3.04Å; L494-F497 PolarHBondContact O-N 3.27Å; F497-L499 VanDerWaalsContact C-N 3.26Å; F497-L499 PolarHBondContact O-N 3.39Å; F497-Q500 PolarHBondContact O-N 2.74Å; F497-L501 HydrophobicContact CB-CD1 4.47Å; F497-L501 HydrophobicContact CD1-CD1 4.46Å; F497-L501 VanDerWaalsContact O-CB 3.3Å; F497-L501 WeakPolarHBondContact O-CB 3.42Å; F497-L501 PolarHBondContact O-N 2.98Å; F497-I509 HydrophobicContact CB-CD1 4.4Å; F497-I509 HydrophobicContact CB-CG2 3.7Å; F497-I509 HydrophobicContact CD2-CG2 4.33Å; F497-I513 HydrophobicContact CD2-CD1 3.63Å; F497-I513 HydrophobicContact CD2-CG1 4.07Å; F497-I513 HydrophobicContact CE2-CD1 4.25Å; F497-I513 HydrophobicContact CE2-CG1 4.37Å; F497-G537 VanDerWaalsContact CE1-O 3.28Å; F497-G537 WeakPolarHBondContact CE1-O 3.43Å; F497-G537 WeakPolarHBondContact CZ-O 3.39Å; F497-C539 HydrophobicContact CE2-CB 3.85Å; F497-C539 HydrophobicContact CZ-CB 4.3Å; F497-F553 HydrophobicContact CD1-CB 4.07Å; F497-F553 HydrophobicContact CD2-CB 3.95Å; F497-F553 AromaticContact CD2-CD2 3.89Å; F497-F553 HydrophobicContact CD2-CD2 3.89Å; F497-F553 HydrophobicContact CD2-CG 4.26Å; F497-F553 HydrophobicContact CE1-CB 3.94Å; F497-F553 HydrophobicContact CE2-CB 3.83Å; F497-F553 HydrophobicContact CE2-CD2 4.16Å; F497-F553 HydrophobicContact CE2-CG 4.47Å; F497-F553 HydrophobicContact CG-CB 4.11Å; F497-F553 HydrophobicContact CG-CD2 4.49Å; F497-F553 HydrophobicContact CZ-CB 3.82Å; F497-A555 HydrophobicContact CD1-CB 3.77Å; F497-A555 HydrophobicContact CE1-CB 3.98Å
498A89.6Confident90.1Very high14 Ų1463.4 Ų63.412%0.11632%0.315CS..Hα-helixtrans-61.1-35.4177.100000112.6L494 N495 K506 I509L494-A498 WeakPolarHBondContact O-CB 3.02Å; L494-A498 PolarHBondContact O-N 3.3Å; N495-A498 PolarHBondContact O-N 3.17Å; A498-K506 HydrophobicContact CB-CD 4.25Å; A498-K506 HydrophobicContact CB-CG 3.98Å; A498-I509 HydrophobicContact CB-CD1 4.46Å
499L86.4Confident90.2Very high126 Ų12659.6 Ų59.666%0.6630%0.296SS*.Hα-helixtrans-76.9-41.5176.2-72168.6000112.5N495 V496 F497N495-L499 WeakPolarHBondContact O-CB 3.29Å; N495-L499 WeakPolarHBondContact O-CD1 3.39Å; N495-L499 VanDerWaalsContact O-CG 3.23Å; N495-L499 WeakPolarHBondContact O-CG 3.39Å; N495-L499 PolarHBondContact O-N 2.99Å; V496-L499 PolarHBondContact O-N 3.44Å; F497-L499 VanDerWaalsContact C-N 3.26Å; F497-L499 PolarHBondContact O-N 3.39Å
500Q89.3Confident90.2Very high53 Ų5359.4 Ų59.425%0.24830%0.3CS..Hα-helixtrans-86.4-17.4-173.6-61.1-56.7-57.700113.8V496 F497 P502 A555 V556 Q561V496-Q500 HydrophobicContact CG1-CG 4.25Å; V496-Q500 WeakPolarHBondContact O-CB 3.29Å; V496-Q500 VanDerWaalsContact O-CG 3.23Å; V496-Q500 WeakPolarHBondContact O-CG 3.2Å; V496-Q500 PolarHBondContact O-N 3.25Å; F497-Q500 PolarHBondContact O-N 2.74Å; Q500-P502 VanDerWaalsContact C-CD 3.43Å; Q500-P502 WeakPolarHBondContact O-CD 3.36Å; Q500-A555 HydrophobicContact CB-CB 3.61Å; Q500-A555 HydrophobicContact CG-CB 4.07Å; Q500-V556 PolarHBondContact OE1-O 3.33Å; Q500-Q561 VanDerWaalsContact OE1-NE2 3.12Å
501L87.5Confident90.2Very high34 Ų3465.9 Ų65.918%0.17833%0.325CS..  trans-122.664.7-179.2-57.7174.6000111.4F497 R503 M504 F553F497-L501 HydrophobicContact CB-CD1 4.47Å; F497-L501 HydrophobicContact CD1-CD1 4.46Å; F497-L501 VanDerWaalsContact O-CB 3.3Å; F497-L501 WeakPolarHBondContact O-CB 3.42Å; F497-L501 PolarHBondContact O-N 2.98Å; L501-R503 PolarHBondContact O-N 3.12Å; L501-M504 HydrophobicContact CB-CB 4.34Å; L501-M504 HydrophobicContact CB-CG 4.24Å; L501-M504 PolarHBondContact O-N 3.36Å; L501-F553 HydrophobicContact CD1-CB 4.02Å; L501-F553 HydrophobicContact CD1-CD1 3.74Å; L501-F553 HydrophobicContact CD1-CG 4.1Å
502P80.2Confident90.3Very high112 Ų11262.1 Ų62.173%0.72731%0.305SS*.THydrogen-bonded Turntrans-64.6-15.6-172.127-36.6000114.5Q500 M504Q500-P502 VanDerWaalsContact C-CD 3.43Å; Q500-P502 WeakPolarHBondContact O-CD 3.36Å; P502-M504 VanDerWaalsContact C-N 3.34Å
503R82Confident90.4Very high193 Ų19360.2 Ų60.273%0.72830%0.296SS*.THydrogen-bonded Turntrans-79.8-15.2175.2-67.4-174.6175.2-177.1-1.9113.4L501L501-R503 PolarHBondContact O-N 3.12Å
504M85Confident90.4Very high54 Ų5462.8 Ų62.827%0.26631%0.308SS..SBendtrans-96.1126.8179.4-65.9-64.3-179.600109.4L501 P502 K506 Y508 I509 F553 Y620L501-M504 HydrophobicContact CB-CB 4.34Å; L501-M504 HydrophobicContact CB-CG 4.24Å; L501-M504 PolarHBondContact O-N 3.36Å; P502-M504 VanDerWaalsContact C-N 3.34Å; M504-K506 PolarHBondContact O-N 3.01Å; M504-Y508 HydrophobicContact SD-CE1 4.44Å; M504-I509 HydrophobicContact CB-CD1 3.84Å; M504-I509 HydrophobicContact CB-CG1 3.83Å; M504-F553 HydrophobicContact CG-CE1 4.38Å; M504-Y620 HydrophobicContact CE-CD1 3.53Å; M504-Y620 HydrophobicContact CE-CE1 3.66Å; M504-Y620 HydrophobicContact CE-CG 4.32Å; M504-Y620 HydrophobicContact SD-CD1 4.16Å; M504-Y620 HydrophobicContact SD-CE1 4.03Å
505P88.7Confident90.3Very high74 Ų7463.3 Ų63.348%0.48131%0.31SS..  trans-57.8137.2177.3-24.733.7000111.8E507 Y508 I509P505-E507 PolarHBondContact O-N 2.98Å; P505-Y508 WeakPolarHBondContact O-CB 3.3Å; P505-Y508 PolarHBondContact O-N 2.97Å; P505-I509 WeakPolarHBondContact O-CG1 3.39Å; P505-I509 PolarHBondContact O-N 3Å
506K86.9Confident90.4Very high113 Ų11361.5 Ų61.549%0.49130%0.304SS..Hα-helixtrans-59.4-37.4-177.7-68.1-171-179.8179.30111.6A498 M504 Y508 I509 A510A498-K506 HydrophobicContact CB-CD 4.25Å; A498-K506 HydrophobicContact CB-CG 3.98Å; M504-K506 PolarHBondContact O-N 3.01Å; K506-Y508 VanDerWaalsContact C-N 3.32Å; K506-Y508 PolarHBondContact O-N 3.39Å; K506-I509 PolarHBondContact O-N 3.29Å; K506-A510 WeakPolarHBondContact O-CB 3.46Å; K506-A510 PolarHBondContact O-N 3.34Å
507E89.3Confident90.5Very high144 Ų14467.7 Ų67.767%0.67333%0.33SS*.Hα-helixtrans-65.5-38.2177.9-5669.8-149.100110.9P505 R511P505-E507 PolarHBondContact O-N 2.98Å; E507-R511 VanDerWaalsContact O-CB 3.3Å; E507-R511 WeakPolarHBondContact O-CB 3.47Å; E507-R511 PolarHBondContact O-N 2.87Å
508Y93.8Very high90.6Very high44 Ų4468 Ų6817%0.17333%0.332CS..Hα-helixtrans-67.1-44.4175.9177.3-95.9000111.3M504 P505 K506 R511 L512 F553 Y620M504-Y508 HydrophobicContact SD-CE1 4.44Å; P505-Y508 WeakPolarHBondContact O-CB 3.3Å; P505-Y508 PolarHBondContact O-N 2.97Å; K506-Y508 VanDerWaalsContact C-N 3.32Å; K506-Y508 PolarHBondContact O-N 3.39Å; Y508-R511 PolarHBondContact O-N 2.87Å; Y508-L512 HydrophobicContact CD1-CD1 4.44Å; Y508-L512 HydrophobicContact CE1-CD1 3.68Å; Y508-L512 HydrophobicContact CE1-CG 4.48Å; Y508-L512 HydrophobicContact CE2-CD1 4.3Å; Y508-L512 PolarHBondContact O-N 3.06Å; Y508-F553 HydrophobicContact CD1-CZ 4Å; Y508-F553 HydrophobicContact CE1-CE1 4.11Å; Y508-F553 AromaticContact CE1-CZ 3.8Å; Y508-F553 HydrophobicContact CE1-CZ 3.8Å; Y508-Y620 AromaticContact CE1-CE1 3.98Å; Y508-Y620 HydrophobicContact CE1-CE1 3.98Å; Y508-Y620 WeakPolarHBondContact OH-CE1 3.46Å; Y508-Y620 PolarHBondContact OH-OH 2.85Å
509I93.7Very high90.9Very high0 Ų070.1 Ų70.10%034%0.338CS..Hα-helixtrans-60.8-51.1175.9-61.9172.1000109.9L494 F497 A498 M504 P505 K506 R511 L512 I513 F553L494-I509 HydrophobicContact CD1-CB 4.04Å; L494-I509 HydrophobicContact CD1-CG2 3.55Å; F497-I509 HydrophobicContact CB-CD1 4.4Å; F497-I509 HydrophobicContact CB-CG2 3.7Å; F497-I509 HydrophobicContact CD2-CG2 4.33Å; A498-I509 HydrophobicContact CB-CD1 4.46Å; M504-I509 HydrophobicContact CB-CD1 3.84Å; M504-I509 HydrophobicContact CB-CG1 3.83Å; P505-I509 WeakPolarHBondContact O-CG1 3.39Å; P505-I509 PolarHBondContact O-N 3Å; K506-I509 PolarHBondContact O-N 3.29Å; I509-R511 VanDerWaalsContact C-N 3.31Å; I509-R511 PolarHBondContact O-N 2.69Å; I509-L512 PolarHBondContact O-N 3.04Å; I509-L512 VanDerWaalsContact O-N 3.13Å; I509-I513 HydrophobicContact CG2-CD1 3.67Å; I509-I513 HydrophobicContact CG2-CG1 4.2Å; I509-I513 WeakPolarHBondContact O-CG1 3.49Å; I509-I513 PolarHBondContact O-N 3.24Å; I509-F553 HydrophobicContact CB-CE2 4.21Å; I509-F553 HydrophobicContact CB-CZ 4.3Å; I509-F553 HydrophobicContact CG1-CE1 4.44Å; I509-F553 HydrophobicContact CG1-CE2 4.29Å; I509-F553 HydrophobicContact CG1-CZ 3.97Å; I509-F553 HydrophobicContact CG2-CD2 4.33Å; I509-F553 HydrophobicContact CG2-CE2 3.93Å; I509-F553 HydrophobicContact CG2-CZ 4.45Å
510A94.3Very high91.5Very high25 Ų2564.1 Ų64.121%0.20731%0.307CS..Hα-helixtrans-55.6-46.9178.900000111.4L494 K506 L512 I513 F514L494-A510 HydrophobicContact CD1-CB 3.85Å; L494-A510 HydrophobicContact CD2-CB 3.87Å; K506-A510 WeakPolarHBondContact O-CB 3.46Å; K506-A510 PolarHBondContact O-N 3.34Å; A510-L512 VanDerWaalsContact C-N 3.26Å; A510-L512 PolarHBondContact O-N 2.85Å; A510-I513 PolarHBondContact O-N 3.45Å; A510-F514 VanDerWaalsContact O-CD2 3.24Å; A510-F514 WeakPolarHBondContact O-CD2 3.44Å; A510-F514 PolarHBondContact O-N 3.39Å
511R94.5Very high91.9Very high136 Ų13661.8 Ų61.851%0.51330%0.296SS..Hα-helixtrans-56.8-38.5178.9-172.7-179.460.876.111.6112.6E507 Y508 I509 D515E507-R511 VanDerWaalsContact O-CB 3.3Å; E507-R511 WeakPolarHBondContact O-CB 3.47Å; E507-R511 PolarHBondContact O-N 2.87Å; Y508-R511 PolarHBondContact O-N 2.87Å; I509-R511 VanDerWaalsContact C-N 3.31Å; I509-R511 PolarHBondContact O-N 2.69Å; R511-D515 WeakPolarHBondContact O-CB 3.4Å; R511-D515 PolarHBondContact O-N 3.44Å
512L95.3Very high92.4Very high10 Ų1060.1 Ų60.15%0.05229%0.288CS..Hα-helixtrans-82-37.9-179.6-63.1-170.8000113.2Y508 I509 A510 F514 D515 H518 V552 F553Y508-L512 HydrophobicContact CD1-CD1 4.44Å; Y508-L512 HydrophobicContact CE1-CD1 3.68Å; Y508-L512 HydrophobicContact CE1-CG 4.48Å; Y508-L512 HydrophobicContact CE2-CD1 4.3Å; Y508-L512 PolarHBondContact O-N 3.06Å; I509-L512 PolarHBondContact O-N 3.04Å; I509-L512 VanDerWaalsContact O-N 3.13Å; A510-L512 VanDerWaalsContact C-N 3.26Å; A510-L512 PolarHBondContact O-N 2.85Å; L512-F514 VanDerWaalsContact C-N 3.28Å; L512-F514 PolarHBondContact O-N 3.23Å; L512-D515 PolarHBondContact O-N 3.04Å; L512-H518 VanDerWaalsContact O-CB 3.3Å; L512-H518 WeakPolarHBondContact O-CB 3.47Å; L512-V552 HydrophobicContact CD1-CG1 3.47Å; L512-V552 VanDerWaalsContact CD1-CG1 3.47Å; L512-F553 HydrophobicContact CB-CE2 3.97Å; L512-F553 HydrophobicContact CB-CZ 4.44Å; L512-F553 HydrophobicContact CD1-CE2 4.13Å; L512-F553 HydrophobicContact CD1-CZ 3.84Å
513I94.7Very high93.2Very high0 Ų054.8 Ų54.80%025%0.253CS..Hα-helixtrans-61.3-40.3176.3-68176.6000111.1L490 L494 F497 I509 A510 N520L490-I513 HydrophobicContact CB-CG2 4.14Å; L490-I513 HydrophobicContact CD2-CG2 3.79Å; L494-I513 HydrophobicContact CB-CD1 3.69Å; L494-I513 HydrophobicContact CD1-CD1 3.86Å; L494-I513 HydrophobicContact CG-CD1 4.39Å; F497-I513 HydrophobicContact CD2-CD1 3.63Å; F497-I513 HydrophobicContact CD2-CG1 4.07Å; F497-I513 HydrophobicContact CE2-CD1 4.25Å; F497-I513 HydrophobicContact CE2-CG1 4.37Å; I509-I513 HydrophobicContact CG2-CD1 3.67Å; I509-I513 HydrophobicContact CG2-CG1 4.2Å; I509-I513 WeakPolarHBondContact O-CG1 3.49Å; I509-I513 PolarHBondContact O-N 3.24Å; A510-I513 PolarHBondContact O-N 3.45Å; I513-N520 PolarHBondContact O-ND2 3.04Å
514F94Very high93.8Very high55 Ų5545.6 Ų45.624%0.24122%0.218CC..THydrogen-bonded Turntrans-89.60.4-179.7-68.5-68.9000114.1N476 Y487 L490 L491 L494 A510 L512N476-F514 WeakPolarHBondContact CB-O 3.39Å; N476-F514 PolarHBondContact ND2-O 3.42Å; Y487-F514 HydrophobicContact CD1-CE1 4.41Å; L490-F514 HydrophobicContact CB-CD1 4.5Å; L490-F514 HydrophobicContact CB-CE1 3.76Å; L490-F514 HydrophobicContact CB-CZ 4.16Å; L490-F514 HydrophobicContact CD1-CD1 4.18Å; L490-F514 HydrophobicContact CD1-CE1 4.07Å; L491-F514 HydrophobicContact CD2-CE2 4.34Å; L491-F514 HydrophobicContact CD2-CZ 3.79Å; L491-F514 HydrophobicContact CG-CZ 4.12Å; L494-F514 HydrophobicContact CD2-CE2 4.14Å; A510-F514 VanDerWaalsContact O-CD2 3.24Å; A510-F514 WeakPolarHBondContact O-CD2 3.44Å; A510-F514 PolarHBondContact O-N 3.39Å; L512-F514 VanDerWaalsContact C-N 3.28Å; L512-F514 PolarHBondContact O-N 3.23Å
515D93.7Very high94.2Very high35 Ų3545.7 Ų45.719%0.18722%0.217CC..  trans-73.4124.9175.1-175.3-33.5000109.7R511 L512 K517 H518R511-D515 WeakPolarHBondContact O-CB 3.4Å; R511-D515 PolarHBondContact O-N 3.44Å; L512-D515 PolarHBondContact O-N 3.04Å; D515-K517 PolarHBondContact O-N 3.04Å; D515-K517 VanDerWaalsContact O-N 3.1Å; D515-K517 VanDerWaalsContact OD1-CB 3.25Å; D515-K517 WeakPolarHBondContact OD1-CB 3.49Å; D515-K517 WeakPolarHBondContact OD1-CG 3.47Å; D515-K517 PolarHBondContact OD1-N 2.96Å; D515-H518 WeakPolarHBondContact CB-ND1 3.26Å; D515-H518 PolarHBondContact O-N 2.83Å; D515-H518 IonicContact OD1-ND1 2.86Å; D515-H518 IonicContact OD2-CE1 2.68Å; D515-H518 IonicContact OD2-ND1 2.69Å
516P93.3Very high94.3Very high62 Ų6243.8 Ų43.840%0.40320%0.204SC..THydrogen-bonded Turntrans-61.6-19.3-179.526.5-37.2000114.2N476 L478 H518N476-P516 WeakPolarHBondContact O-CA 3.45Å; N476-P516 WeakPolarHBondContact O-CB 3.43Å; L478-P516 HydrophobicContact CD1-CB 4.09Å; L478-P516 HydrophobicContact CD1-CG 3.77Å; L478-P516 HydrophobicContact CG-CB 4.28Å; L478-P516 HydrophobicContact CG-CG 4.4Å; P516-H518 VanDerWaalsContact C-N 3.28Å
517K93.6Very high94Very high137 Ų13740.2 Ų40.260%0.59619%0.194SC*.THydrogen-bonded Turntrans-77.5-14.3175.1-60.9177.3-178.8174.50112.7D515D515-K517 PolarHBondContact O-N 3.04Å; D515-K517 VanDerWaalsContact O-N 3.1Å; D515-K517 VanDerWaalsContact OD1-CB 3.25Å; D515-K517 WeakPolarHBondContact OD1-CB 3.49Å; D515-K517 WeakPolarHBondContact OD1-CG 3.47Å; D515-K517 PolarHBondContact OD1-N 2.96Å
518H96.5Very high93.5Very high6 Ų641.8 Ų41.83%0.02821%0.207CC..  trans-100.4147.6178.2-65.771.3000110.5N475 L512 D515 P516 F540N475-H518 WeakPolarHBondContact CB-O 3.41Å; L512-H518 VanDerWaalsContact O-CB 3.3Å; L512-H518 WeakPolarHBondContact O-CB 3.47Å; D515-H518 WeakPolarHBondContact CB-ND1 3.26Å; D515-H518 PolarHBondContact O-N 2.83Å; D515-H518 IonicContact OD1-ND1 2.86Å; D515-H518 IonicContact OD2-CE1 2.68Å; D515-H518 IonicContact OD2-ND1 2.69Å; P516-H518 VanDerWaalsContact C-N 3.28Å; H518-F540 WeakPolarHBondContact CA-O 3.16Å
519K97.2Very high92.7Very high59 Ų5943.3 Ų43.326%0.25722%0.224SC..EExtended strand (participates in β ladder)trans-121.5150.4172.3-67.5-176.9174-178.50108.7I473 N475 F540 M542 Y576I473-K519 HydrophobicContact CG2-CB 4.36Å; I473-K519 HydrophobicContact CG2-CD 4.43Å; N475-K519 HydrophobicContact CB-CG 4.09Å; K519-F540 HydrophobicContact CB-CD2 4.33Å; K519-F540 HydrophobicContact CB-CE1 3.91Å; K519-F540 HydrophobicContact CB-CE2 3.71Å; K519-F540 HydrophobicContact CB-CZ 3.48Å; K519-F540 VanDerWaalsContact CB-CZ 3.48Å; K519-F540 HydrophobicContact CD-CE2 4.25Å; K519-F540 HydrophobicContact CD-CZ 4.33Å; K519-F540 PolarHBondContact N-O 3.37Å; K519-F540 VanDerWaalsContact O-CD1 3.27Å; K519-F540 WeakPolarHBondContact O-CD1 3.37Å; K519-F540 PolarHBondContact O-N 2.88Å; K519-M542 HydrophobicContact CD-SD 4.11Å; K519-Y576 PolarHBondContact NZ-OH 3.1Å
520N98Very high91.9Very high0 Ų048.3 Ų48.30%026%0.257CS..EExtended strand (participates in β ladder)trans-125.8116.3-175.3-57.3-80.7000109.1I473 V474 L490 L493 I513 I522 I538 C539I473-N520 CarbonylContact C-O 3.57Å; I473-N520 WeakPolarHBondContact CA-O 3.3Å; V474-N520 HydrophobicContact CG2-CB 4.21Å; V474-N520 PolarHBondContact N-O 2.89Å; V474-N520 WeakPolarHBondContact O-CA 3.32Å; V474-N520 WeakPolarHBondContact O-CB 3.39Å; V474-N520 PolarHBondContact O-N 2.8Å; L490-N520 HydrophobicContact CD2-CB 4.3Å; L490-N520 WeakPolarHBondContact CD2-ND2 3.46Å; L493-N520 HydrophobicContact CD2-CB 3.62Å; I513-N520 PolarHBondContact O-ND2 3.04Å; N520-I522 HydrophobicContact CB-CG1 4.34Å; N520-I538 CarbonylContact C-O 3.59Å; N520-I538 WeakPolarHBondContact CA-O 3.34Å; N520-C539 WeakPolarHBondContact OD1-CB 3.19Å; N520-C539 PolarHBondContact OD1-SG 2.92Å
521L98.1Very high91.4Very high4 Ų452.4 Ų52.42%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-81.3116.5164.5177.668.7000107.7F471 H472 I473 G537 I538 F540 M569 H572 L573F471-L521 HydrophobicContact CB-CD1 4.23Å; H472-L521 CarbonylContact O-C 3.56Å; H472-L521 WeakPolarHBondContact O-CA 3.15Å; I473-L521 HydrophobicContact CD1-CD1 4.41Å; I473-L521 HydrophobicContact CG1-CB 4.42Å; I473-L521 HydrophobicContact CG1-CD1 3.67Å; L521-G537 CarbonylContact O-C 3.59Å; L521-G537 WeakPolarHBondContact O-CA 3.39Å; L521-I538 HydrophobicContact CB-CB 4.36Å; L521-I538 HydrophobicContact CD2-CD1 4.45Å; L521-I538 PolarHBondContact N-O 2.82Å; L521-I538 PolarHBondContact O-N 2.67Å; L521-F540 HydrophobicContact CB-CE1 4.34Å; L521-M569 HydrophobicContact CD2-CB 4.25Å; L521-M569 WeakPolarHBondContact CD2-O 3.28Å; L521-H572 HydrophobicContact CD2-CB 4.3Å; L521-L573 HydrophobicContact CB-CD1 4.4Å; L521-L573 HydrophobicContact CD2-CB 4.05Å; L521-L573 HydrophobicContact CD2-CD1 4.35Å
522I97.4Very high91.2Very high0 Ų049.7 Ų49.70%026%0.264CS..EExtended strand (participates in β ladder)trans-106.2132.7-178.8-59-173.8000109.4F471 H472 V474 W489 L493 N520 L524 A534F471-I522 WeakPolarHBondContact CA-O 3.4Å; H472-I522 PolarHBondContact N-O 3.32Å; H472-I522 PolarHBondContact O-N 3.3Å; V474-I522 HydrophobicContact CG2-CD1 3.24Å; V474-I522 HydrophobicContact CG2-CG1 3.82Å; W489-I522 HydrophobicContact CB-CD1 3.66Å; L493-I522 HydrophobicContact CB-CD1 4.18Å; L493-I522 HydrophobicContact CD1-CG1 4.46Å; L493-I522 HydrophobicContact CD2-CD1 4.14Å; L493-I522 HydrophobicContact CD2-CG1 3.9Å; N520-I522 HydrophobicContact CB-CG1 4.34Å; I522-L524 HydrophobicContact CG2-CD2 3.65Å; I522-L524 HydrophobicContact CG2-CG 4.08Å; I522-A534 HydrophobicContact CG2-CB 3.72Å
523L96.9Very high91Very high0 Ų053.2 Ų53.20%028%0.28CS..EExtended strand (participates in β ladder)trans-96.8113.4168.2167.568.1000108.4I469 F471 A534 I535 G536 Y565 M569I469-L523 HydrophobicContact CB-CD1 3.94Å; I469-L523 HydrophobicContact CD1-CD1 4.11Å; I469-L523 HydrophobicContact CG1-CD1 4.47Å; I469-L523 HydrophobicContact CG2-CD1 4.37Å; F471-L523 HydrophobicContact CD1-CB 4.31Å; F471-L523 HydrophobicContact CD1-CD1 4.11Å; F471-L523 HydrophobicContact CE1-CB 4.09Å; F471-L523 HydrophobicContact CE1-CD1 3.44Å; F471-L523 VanDerWaalsContact CE1-CD1 3.44Å; F471-L523 HydrophobicContact CE1-CG 4.24Å; F471-L523 HydrophobicContact CE2-CD1 4.44Å; F471-L523 HydrophobicContact CZ-CD1 3.64Å; L523-A534 WeakPolarHBondContact O-CA 3.48Å; L523-I535 HydrophobicContact CB-CG1 4.46Å; L523-I535 HydrophobicContact CD1-CD1 4.46Å; L523-I535 HydrophobicContact CD2-CD1 3.61Å; L523-I535 HydrophobicContact CD2-CG1 3.64Å; L523-I535 HydrophobicContact CG-CD1 3.84Å; L523-I535 HydrophobicContact CG-CG1 3.56Å; L523-I535 PolarHBondContact O-N 3.13Å; L523-G536 PolarHBondContact N-O 3.26Å; L523-G536 PolarHBondContact O-N 3.42Å; L523-Y565 HydrophobicContact CD2-CD2 4.01Å; L523-Y565 HydrophobicContact CD2-CG 3.84Å; L523-M569 HydrophobicContact CB-CG 4.15Å; L523-M569 HydrophobicContact CB-SD 3.89Å; L523-M569 HydrophobicContact CD2-CG 4.38Å; L523-M569 HydrophobicContact CD2-SD 3.78Å; L523-M569 HydrophobicContact CG-SD 4.48Å
524L95.4Very high91Very high0 Ų053.7 Ų53.70%028%0.284CS..EExtended strand (participates in β ladder)trans-99141.3175.2-59174.3000109.6I469 E470 W489 I522 K532 H533 A534I469-L524 CarbonylContact C-O 3.53Å; I469-L524 WeakPolarHBondContact CA-O 3.38Å; I469-L524 WeakPolarHBondContact CB-O 3.47Å; E470-L524 HydrophobicContact CB-CB 4.43Å; E470-L524 PolarHBondContact N-O 3.4Å; E470-L524 PolarHBondContact O-N 3.18Å; W489-L524 HydrophobicContact CD2-CD1 4.16Å; W489-L524 HydrophobicContact CD2-CD2 4.45Å; W489-L524 HydrophobicContact CG-CD2 4.24Å; W489-L524 HydrophobicContact CH2-CD1 4.03Å; W489-L524 HydrophobicContact CZ2-CD1 3.46Å; W489-L524 VanDerWaalsContact CZ2-CD1 3.46Å; I522-L524 HydrophobicContact CG2-CD2 3.65Å; I522-L524 HydrophobicContact CG2-CG 4.08Å; L524-K532 HydrophobicContact CB-CB 4.41Å; L524-K532 HydrophobicContact CD1-CB 4.29Å; L524-K532 HydrophobicContact CD1-CD 4.33Å; L524-H533 CarbonylContact C-O 3.57Å; L524-H533 VanDerWaalsContact CA-O 3.32Å; L524-H533 WeakPolarHBondContact CA-O 3.48Å; L524-A534 HydrophobicContact CD2-CB 4.09Å
525K92.7Very high91Very high56 Ų5651.5 Ų51.524%0.24328%0.275CS..EExtended strand (participates in β ladder)trans-110.3134.4167.8-174.4167.2179.1169.40109.3I469 K532 H533 I535 E560I469-K525 HydrophobicContact CG2-CG 4.42Å; K525-K532 WeakPolarHBondContact O-CA 3.38Å; K525-H533 PolarHBondContact N-O 3.41Å; K525-H533 PolarHBondContact O-N 3.04Å; K525-I535 HydrophobicContact CB-CD1 3.84Å; K525-I535 HydrophobicContact CB-CG1 4.05Å; K525-I535 HydrophobicContact CB-CG2 3.7Å; K525-I535 HydrophobicContact CD-CD1 4.15Å; K525-I535 HydrophobicContact CD-CG2 4.41Å; K525-E560 IonicContact NZ-OE1 2.67Å; K525-E560 PolarHBondContact NZ-OE1 3.18Å; K525-E560 IonicContact NZ-OE2 3.22Å; K525-E560 PolarHBondContact NZ-OE2 2.99Å; K525-E560 VanDerWaalsContact NZ-OE2 3.09Å
526V90.2Very high91.1Very high34 Ų3449.9 Ų49.921%0.20627%0.266CS..EExtended strand (participates in β ladder)trans-86.8120.9176.5-171.20000108.1G467 N468 E531 K532G467-V526 VanDerWaalsContact O-CG2 3.23Å; G467-V526 WeakPolarHBondContact O-CG2 3.24Å; N468-V526 PolarHBondContact O-N 3.3Å; V526-E531 CarbonylContact C-O 3.46Å; V526-E531 WeakPolarHBondContact CA-O 3.42Å; V526-K532 HydrophobicContact CG2-CG 4.31Å
527S81.3Confident91.2Very high38 Ų3846.9 Ų46.927%0.26625%0.247SC..  trans-74.6167.817465.90000111.1S529 C530 E531S527-S529 PolarHBondContact O-N 3.43Å; S527-S529 PolarHBondContact OG-N 3.26Å; S527-S529 PolarHBondContact OG-OG 3.16Å; S527-C530 WeakPolarHBondContact O-CA 3.42Å; S527-C530 PolarHBondContact O-N 3.04Å; S527-E531 PolarHBondContact N-O 3.49Å; S527-E531 WeakPolarHBondContact OG-CB 3.35Å; S527-E531 PolarHBondContact OG-N 3.33Å; S527-E531 PolarHBondContact OG-O 3.41Å
528D78.4Confident91.5Very high177 Ų17740.4 Ų40.495%0.94722%0.218SC*.THydrogen-bonded Turntrans-61.2-26.5172.3-61.3-34.7000112C530D528-C530 PolarHBondContact O-N 3.4Å
529S76.7Confident91.5Very high76 Ų7640.1 Ų40.153%0.53122%0.217SC..THydrogen-bonded Turntrans-76.64.617255.60000114S527 E531S527-S529 PolarHBondContact O-N 3.43Å; S527-S529 PolarHBondContact OG-N 3.26Å; S527-S529 PolarHBondContact OG-OG 3.16Å; S529-E531 PolarHBondContact O-N 2.93Å; S529-E531 PolarHBondContact OG-OE2 2.9Å
530C77.8Confident91.6Very high104 Ų10437.3 Ų37.370%0.70321%0.205SC*.SBendtrans63.416.9-174.6-61.70000114.6S527 D528S527-C530 WeakPolarHBondContact O-CA 3.42Å; S527-C530 PolarHBondContact O-N 3.04Å; D528-C530 PolarHBondContact O-N 3.4Å
531E84.2Confident91.5Very high111 Ų11140.7 Ų40.752%0.51922%0.218SC..  trans-83.6148172.6-65.1173.9137.100110.3V526 S527 S529V526-E531 CarbonylContact C-O 3.46Å; V526-E531 WeakPolarHBondContact CA-O 3.42Å; S527-E531 PolarHBondContact N-O 3.49Å; S527-E531 WeakPolarHBondContact OG-CB 3.35Å; S527-E531 PolarHBondContact OG-N 3.33Å; S527-E531 PolarHBondContact OG-O 3.41Å; S529-E531 PolarHBondContact O-N 2.93Å; S529-E531 PolarHBondContact OG-OE2 2.9Å
532K90.1Very high91.4Very high79 Ų7942 Ų4234%0.34322%0.224SC..EExtended strand (participates in β ladder)trans-112.6119.2-176.2-59.3-174.6-178.3-175.30109.7E470 L524 K525 V526E470-K532 VanDerWaalsContact OE1-CE 3.24Å; E470-K532 WeakPolarHBondContact OE1-CE 3.34Å; E470-K532 IonicContact OE1-NZ 3.37Å; E470-K532 PolarHBondContact OE1-NZ 3.19Å; E470-K532 IonicContact OE2-NZ 2.75Å; E470-K532 PolarHBondContact OE2-NZ 3.39Å; L524-K532 HydrophobicContact CB-CB 4.41Å; L524-K532 HydrophobicContact CD1-CB 4.29Å; L524-K532 HydrophobicContact CD1-CD 4.33Å; K525-K532 WeakPolarHBondContact O-CA 3.38Å; V526-K532 HydrophobicContact CG2-CG 4.31Å
533H91.3Very high91.4Very high84 Ų8442.7 Ų42.739%0.38923%0.227SC..EExtended strand (participates in β ladder)trans-120.5138.2178.9-66.4-61.6000112E492 L524 K525 I535E492-H533 IonicContact OE1-CE1 2.9Å; E492-H533 IonicContact OE1-CG 3.82Å; E492-H533 IonicContact OE1-ND1 3.75Å; E492-H533 PolarHBondContact OE1-ND1 3.39Å; L524-H533 CarbonylContact C-O 3.57Å; L524-H533 VanDerWaalsContact CA-O 3.32Å; L524-H533 WeakPolarHBondContact CA-O 3.48Å; K525-H533 PolarHBondContact N-O 3.41Å; K525-H533 PolarHBondContact O-N 3.04Å; H533-I535 PolarHBondContact O-N 2.89Å
534A93.6Very high91.2Very high10 Ų1047.1 Ų47.18%0.08326%0.256CS..EExtended strand (participates in β ladder)trans-68.1117.9173.900000110.9E492 V496 I522 L523 L524E492-A534 HydrophobicContact CB-CB 3.66Å; E492-A534 PolarHBondContact OE2-N 3.41Å; V496-A534 WeakPolarHBondContact CG2-O 3.1Å; I522-A534 HydrophobicContact CG2-CB 3.72Å; L523-A534 WeakPolarHBondContact O-CA 3.48Å; L524-A534 HydrophobicContact CD2-CB 4.09Å
535I93.7Very high91Very high10 Ų1052.1 Ų52.15%0.05129%0.291CS..EExtended strand (participates in β ladder)trans-108.8-5.5176.261.8157.2000111.9L523 K525 H533 V556 I557 E560 Y565L523-I535 HydrophobicContact CB-CG1 4.46Å; L523-I535 HydrophobicContact CD1-CD1 4.46Å; L523-I535 HydrophobicContact CD2-CD1 3.61Å; L523-I535 HydrophobicContact CD2-CG1 3.64Å; L523-I535 HydrophobicContact CG-CD1 3.84Å; L523-I535 HydrophobicContact CG-CG1 3.56Å; L523-I535 PolarHBondContact O-N 3.13Å; K525-I535 HydrophobicContact CB-CD1 3.84Å; K525-I535 HydrophobicContact CB-CG1 4.05Å; K525-I535 HydrophobicContact CB-CG2 3.7Å; K525-I535 HydrophobicContact CD-CD1 4.15Å; K525-I535 HydrophobicContact CD-CG2 4.41Å; H533-I535 PolarHBondContact O-N 2.89Å; I535-V556 CarbonylContact O-C 3.55Å; I535-V556 WeakPolarHBondContact O-CA 3.39Å; I535-I557 HydrophobicContact CB-CD1 3.63Å; I535-I557 HydrophobicContact CB-CG1 3.85Å; I535-I557 HydrophobicContact CG2-CD1 3.59Å; I535-I557 HydrophobicContact CG2-CG1 4.37Å; I535-I557 WeakPolarHBondContact O-CG1 3.39Å; I535-I557 PolarHBondContact O-N 2.97Å; I535-E560 HydrophobicContact CB-CG 4.21Å; I535-E560 HydrophobicContact CD1-CB 4.01Å; I535-E560 HydrophobicContact CD1-CG 3.88Å; I535-E560 HydrophobicContact CG2-CG 4.39Å; I535-Y565 HydrophobicContact CD1-CD2 3.94Å; I535-Y565 HydrophobicContact CD1-CE2 3.75Å
536G95.8Very high91.1Very high0 Ų051.4 Ų51.40%029%0.288CS..EExtended strand (participates in β ladder)trans-174.8168.8179.600000112.3L523 A555L523-G536 PolarHBondContact N-O 3.26Å; L523-G536 PolarHBondContact O-N 3.42Å; G536-A555 CarbonylContact C-O 3.43Å; G536-A555 WeakPolarHBondContact CA-O 3.5Å
537G97.4Very high91.2Very high0 Ų050.9 Ų50.90%029%0.29CS..EExtended strand (participates in β ladder)trans-176.3175169.400000114.8F497 L521 A555 M569F497-G537 VanDerWaalsContact CE1-O 3.28Å; F497-G537 WeakPolarHBondContact CE1-O 3.43Å; F497-G537 WeakPolarHBondContact CZ-O 3.39Å; L521-G537 CarbonylContact O-C 3.59Å; L521-G537 WeakPolarHBondContact O-CA 3.39Å; G537-A555 PolarHBondContact N-O 2.91Å; G537-A555 PolarHBondContact O-N 3.22Å; G537-A555 VanDerWaalsContact O-N 3.1Å; G537-M569 WeakPolarHBondContact O-CE 3.25Å
538I98.2Very high91.9Very high0 Ų049.1 Ų49.10%028%0.278CS..EExtended strand (participates in β ladder)trans-127.3118.5173.8-52.2-176.7000108.3N520 L521 I551 F553 C554 M569 M570 L573N520-I538 CarbonylContact C-O 3.59Å; N520-I538 WeakPolarHBondContact CA-O 3.34Å; L521-I538 HydrophobicContact CB-CB 4.36Å; L521-I538 HydrophobicContact CD2-CD1 4.45Å; L521-I538 PolarHBondContact N-O 2.82Å; L521-I538 PolarHBondContact O-N 2.67Å; I538-I551 HydrophobicContact CG2-CG1 4.48Å; I538-I551 HydrophobicContact CG2-CG2 3.67Å; I538-F553 CarbonylContact C-O 3.59Å; I538-F553 VanDerWaalsContact CA-O 3.25Å; I538-F553 WeakPolarHBondContact CA-O 3.32Å; I538-F553 WeakPolarHBondContact CG2-O 3.41Å; I538-C554 HydrophobicContact CG1-CB 4.35Å; I538-C554 HydrophobicContact CG2-CB 4.46Å; I538-M569 HydrophobicContact CD1-CB 4.1Å; I538-M569 HydrophobicContact CD1-CE 4.18Å; I538-M569 HydrophobicContact CG1-CE 3.5Å; I538-M570 HydrophobicContact CD1-CE 4.26Å; I538-L573 HydrophobicContact CD1-CB 4.42Å; I538-L573 HydrophobicContact CD1-CD2 3.92Å; I538-L573 HydrophobicContact CG2-CD2 3.97Å
539C98Very high92.8Very high0 Ų040.7 Ų40.70%023%0.233CC..EExtended strand (participates in β ladder)trans-91.5128.2167.9179.30000108.9F497 N520 V552 F553F497-C539 HydrophobicContact CE2-CB 3.85Å; F497-C539 HydrophobicContact CZ-CB 4.3Å; N520-C539 WeakPolarHBondContact OD1-CB 3.19Å; N520-C539 PolarHBondContact OD1-SG 2.92Å; C539-V552 PolarHBondContact O-N 2.97Å; C539-F553 HydrophobicContact CB-CB 3.99Å; C539-F553 HydrophobicContact CB-CD2 3.83Å; C539-F553 HydrophobicContact CB-CG 4.31Å; C539-F553 PolarHBondContact N-O 2.91Å; C539-F553 PolarHBondContact O-N 3.32Å
540F98Very high93.8Very high1 Ų137.4 Ų37.40%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-143.3156-176.164.7-86.9000112.3I473 H518 K519 L521 M542 T549 E550 L573 Y576 H577I473-F540 HydrophobicContact CG2-CZ 4.41Å; H518-F540 WeakPolarHBondContact CA-O 3.16Å; K519-F540 HydrophobicContact CB-CD2 4.33Å; K519-F540 HydrophobicContact CB-CE1 3.91Å; K519-F540 HydrophobicContact CB-CE2 3.71Å; K519-F540 HydrophobicContact CB-CZ 3.48Å; K519-F540 VanDerWaalsContact CB-CZ 3.48Å; K519-F540 HydrophobicContact CD-CE2 4.25Å; K519-F540 HydrophobicContact CD-CZ 4.33Å; K519-F540 PolarHBondContact N-O 3.37Å; K519-F540 VanDerWaalsContact O-CD1 3.27Å; K519-F540 WeakPolarHBondContact O-CD1 3.37Å; K519-F540 PolarHBondContact O-N 2.88Å; L521-F540 HydrophobicContact CB-CE1 4.34Å; F540-M542 HydrophobicContact CD2-CG 3.87Å; F540-M542 HydrophobicContact CE2-CG 3.77Å; F540-M542 HydrophobicContact CE2-SD 3.9Å; F540-T549 HydrophobicContact CB-CG2 3.85Å; F540-T549 HydrophobicContact CD2-CG2 3.75Å; F540-T549 HydrophobicContact CG-CG2 4.21Å; F540-E550 CarbonylContact C-O 3.51Å; F540-E550 WeakPolarHBondContact CA-O 3.48Å; F540-E550 VanDerWaalsContact CB-O 3.3Å; F540-E550 WeakPolarHBondContact CB-O 3.48Å; F540-L573 HydrophobicContact CD1-CD1 3.57Å; F540-L573 HydrophobicContact CE1-CD1 3.49Å; F540-L573 VanDerWaalsContact CE1-CD1 3.49Å; F540-L573 HydrophobicContact CG-CD1 4.15Å; F540-L573 HydrophobicContact CZ-CD1 3.99Å; F540-Y576 HydrophobicContact CE2-CE1 4.07Å; F540-Y576 HydrophobicContact CZ-CD1 4.35Å; F540-Y576 AromaticContact CZ-CE1 3.97Å; F540-Y576 HydrophobicContact CZ-CE1 3.97Å; F540-H577 AromaticContact CD2-CE1 3.64Å; F540-H577 AromaticContact CD2-NE2 3.54Å; F540-H577 AromaticContact CE2-CE1 3.43Å; F540-H577 VanDerWaalsContact CE2-CE1 3.43Å; F540-H577 WeakPolarHBondContact CE2-CE1 3.22Å; F540-H577 AromaticContact CE2-NE2 3.48Å; F540-H577 WeakPolarHBondContact CE2-NE2 3.36Å; F540-H577 AromaticContact CZ-CE1 3.92Å
541R97.3Very high94.8Very high70 Ų7032.6 Ų32.626%0.26418%0.176SC..EExtended strand (participates in β ladder)trans-126.3121.6176.8-176.9175.3178.6-164.3-4110.4F543 T549 E550R541-F543 HydrophobicContact CB-CE2 4.27Å; R541-F543 HydrophobicContact CG-CE2 3.91Å; R541-F543 HydrophobicContact CG-CZ 3.91Å; R541-T549 WeakPolarHBondContact O-CA 3.23Å; R541-T549 WeakPolarHBondContact O-CG2 3.37Å; R541-E550 HydrophobicContact CB-CB 4.49Å; R541-E550 PolarHBondContact N-O 2.97Å; R541-E550 PolarHBondContact O-N 3.39Å
542M96Very high95.3Very high33 Ų3328 Ų2816%0.16316%0.156CC..EExtended strand (participates in β ladder)trans-87.5139.1-177.1-57.9172.27600110.9K519 F540 T549 Y576 H580 I582K519-M542 HydrophobicContact CD-SD 4.11Å; F540-M542 HydrophobicContact CD2-CG 3.87Å; F540-M542 HydrophobicContact CE2-CG 3.77Å; F540-M542 HydrophobicContact CE2-SD 3.9Å; M542-T549 WeakPolarHBondContact CA-OG1 3.43Å; M542-T549 HydrophobicContact CG-CG2 4.34Å; M542-Y576 HydrophobicContact CE-CE1 4.16Å; M542-Y576 HydrophobicContact SD-CE1 3.99Å; M542-H580 HydrophobicContact CE-CB 3.68Å; M542-I582 HydrophobicContact CB-CD1 4.03Å; M542-I582 HydrophobicContact CE-CD1 3.51Å; M542-I582 HydrophobicContact CG-CD1 4.4Å
543F95.9Very high95.6Very high13 Ų1324.4 Ų24.46%0.05714%0.14CC..EExtended strand (participates in β ladder)trans-124.574172.5-62.6-86.3000109.9R541 S545 Q546 G547 F548 E550 Y616R541-F543 HydrophobicContact CB-CE2 4.27Å; R541-F543 HydrophobicContact CG-CE2 3.91Å; R541-F543 HydrophobicContact CG-CZ 3.91Å; F543-S545 VanDerWaalsContact C-N 3.3Å; F543-S545 PolarHBondContact O-N 3.43Å; F543-Q546 HydrophobicContact CB-CB 4.1Å; F543-Q546 CarbonylContact O-C 3.5Å; F543-Q546 PolarHBondContact O-N 3.21Å; F543-G547 PolarHBondContact O-N 3.32Å; F543-F548 CarbonylContact C-O 3.6Å; F543-F548 WeakPolarHBondContact CA-O 3.44Å; F543-F548 HydrophobicContact CB-CD1 4.11Å; F543-F548 HydrophobicContact CB-CE1 3.87Å; F543-F548 HydrophobicContact CB-CZ 4.14Å; F543-F548 WeakPolarHBondContact CB-O 3.48Å; F543-F548 HydrophobicContact CD2-CD2 4.15Å; F543-F548 HydrophobicContact CD2-CE1 4.04Å; F543-F548 AromaticContact CD2-CE2 3.48Å; F543-F548 HydrophobicContact CD2-CE2 3.48Å; F543-F548 VanDerWaalsContact CD2-CE2 3.48Å; F543-F548 AromaticContact CD2-CZ 3.41Å; F543-F548 HydrophobicContact CD2-CZ 3.41Å; F543-F548 VanDerWaalsContact CD2-CZ 3.41Å; F543-F548 AromaticContact CE2-CE2 3.87Å; F543-F548 HydrophobicContact CE2-CE2 3.87Å; F543-F548 AromaticContact CE2-CZ 3.86Å; F543-F548 HydrophobicContact CE2-CZ 3.86Å; F543-F548 HydrophobicContact CG-CE1 4.02Å; F543-F548 HydrophobicContact CG-CE2 4.28Å; F543-F548 AromaticContact CG-CZ 3.81Å; F543-F548 HydrophobicContact CG-CZ 3.81Å; F543-F548 PolarHBondContact N-O 3.32Å; F543-F548 PolarHBondContact O-N 3.08Å; F543-E550 HydrophobicContact CE2-CB 4.01Å; F543-Y616 AromaticContact CD1-CD1 3.72Å; F543-Y616 HydrophobicContact CD1-CD1 3.72Å; F543-Y616 HydrophobicContact CD1-CG 4.42Å; F543-Y616 AromaticContact CE1-CD1 3.76Å; F543-Y616 HydrophobicContact CE1-CD1 3.76Å; F543-Y616 HydrophobicContact CE1-CG 4.38Å; F543-Y616 WeakPolarHBondContact CZ-O 3.49Å
544P93.4Very high95.9Very high93 Ų9322 Ų2260%0.60413%0.132SC*.G310 helixtrans-57.4-38.6-172.4-24.333.6000113.8Q546 G547 I582P544-Q546 VanDerWaalsContact C-N 3.29Å; P544-Q546 PolarHBondContact O-N 2.87Å; P544-G547 PolarHBondContact O-N 3.26Å; P544-I582 HydrophobicContact CB-CD1 4.41Å; P544-I582 HydrophobicContact CG-CD1 4.21Å
545S92.1Very high95.9Very high105 Ų10522 Ų2273%0.73413%0.132SC*.G310 helixtrans-65.1-29.4177.736.60000113.8F543F543-S545 VanDerWaalsContact C-N 3.3Å; F543-S545 PolarHBondContact O-N 3.43Å
546Q92.9Very high95.9Very high41 Ų4122.2 Ų22.219%0.19213%0.134CC..G310 helixtrans-94.9-5.9179.3-67.570.12200111.8F543 P544 F548 A612 Y616F543-Q546 HydrophobicContact CB-CB 4.1Å; F543-Q546 CarbonylContact O-C 3.5Å; F543-Q546 PolarHBondContact O-N 3.21Å; P544-Q546 VanDerWaalsContact C-N 3.29Å; P544-Q546 PolarHBondContact O-N 2.87Å; Q546-F548 VanDerWaalsContact C-N 3.33Å; Q546-F548 HydrophobicContact CB-CD1 3.56Å; Q546-F548 HydrophobicContact CB-CE1 3.6Å; Q546-F548 HydrophobicContact CG-CE1 4.22Å; Q546-F548 PolarHBondContact O-N 3.24Å; Q546-A612 WeakPolarHBondContact CB-O 3.48Å; Q546-A612 VanDerWaalsContact CG-O 3.23Å; Q546-A612 WeakPolarHBondContact CG-O 3.43Å; Q546-Y616 HydrophobicContact CG-CD1 4.38Å; Q546-Y616 HydrophobicContact CG-CD2 4.34Å; Q546-Y616 HydrophobicContact CG-CE1 4.09Å; Q546-Y616 HydrophobicContact CG-CE2 4.06Å; Q546-Y616 HydrophobicContact CG-CG 4.5Å; Q546-Y616 VanDerWaalsContact NE2-CE1 3.28Å; Q546-Y616 PolarHBondContact NE2-OH 2.91Å
547G92.6Very high95.5Very high24 Ų2423.7 Ų23.725%0.24714%0.142CC..THydrogen-bonded Turntrans74.415.617700000115.2F543 P544 H584F543-G547 PolarHBondContact O-N 3.32Å; P544-G547 PolarHBondContact O-N 3.26Å; G547-H584 PolarHBondContact O-N 2.78Å
548F96.6Very high94.5Very high0 Ų026.5 Ų26.50%015%0.154CC..EExtended strand (participates in β ladder)trans-133.6167.5-179.584.1-85.7000114.1F543 Q546 E550 H584 L586 L608F543-F548 CarbonylContact C-O 3.6Å; F543-F548 WeakPolarHBondContact CA-O 3.44Å; F543-F548 HydrophobicContact CB-CD1 4.11Å; F543-F548 HydrophobicContact CB-CE1 3.87Å; F543-F548 HydrophobicContact CB-CZ 4.14Å; F543-F548 WeakPolarHBondContact CB-O 3.48Å; F543-F548 HydrophobicContact CD2-CD2 4.15Å; F543-F548 HydrophobicContact CD2-CE1 4.04Å; F543-F548 AromaticContact CD2-CE2 3.48Å; F543-F548 HydrophobicContact CD2-CE2 3.48Å; F543-F548 VanDerWaalsContact CD2-CE2 3.48Å; F543-F548 AromaticContact CD2-CZ 3.41Å; F543-F548 HydrophobicContact CD2-CZ 3.41Å; F543-F548 VanDerWaalsContact CD2-CZ 3.41Å; F543-F548 AromaticContact CE2-CE2 3.87Å; F543-F548 HydrophobicContact CE2-CE2 3.87Å; F543-F548 AromaticContact CE2-CZ 3.86Å; F543-F548 HydrophobicContact CE2-CZ 3.86Å; F543-F548 HydrophobicContact CG-CE1 4.02Å; F543-F548 HydrophobicContact CG-CE2 4.28Å; F543-F548 AromaticContact CG-CZ 3.81Å; F543-F548 HydrophobicContact CG-CZ 3.81Å; F543-F548 PolarHBondContact N-O 3.32Å; F543-F548 PolarHBondContact O-N 3.08Å; Q546-F548 VanDerWaalsContact C-N 3.33Å; Q546-F548 HydrophobicContact CB-CD1 3.56Å; Q546-F548 HydrophobicContact CB-CE1 3.6Å; Q546-F548 HydrophobicContact CG-CE1 4.22Å; Q546-F548 PolarHBondContact O-N 3.24Å; F548-E550 HydrophobicContact CE2-CB 4.42Å; F548-H584 CarbonylContact C-O 3.5Å; F548-H584 WeakPolarHBondContact CA-O 3.21Å; F548-H584 HydrophobicContact CB-CB 3.82Å; F548-H584 WeakPolarHBondContact CB-O 3.45Å; F548-L586 HydrophobicContact CD2-CB 4.24Å; F548-L586 HydrophobicContact CD2-CD1 3.71Å; F548-L586 HydrophobicContact CD2-CG 4.01Å; F548-L586 HydrophobicContact CE2-CD1 3.96Å; F548-L586 HydrophobicContact CG-CD1 4.16Å; F548-L608 HydrophobicContact CB-CD2 3.72Å; F548-L608 HydrophobicContact CD1-CD2 4.07Å; F548-L608 HydrophobicContact CG-CD2 4.08Å
549T97.7Very high93.5Very high0 Ų029.9 Ų29.90%017%0.172CC..EExtended strand (participates in β ladder)trans-129.9135.7169.7-71.70000109.9F540 R541 M542 H577 H584 F585 L586F540-T549 HydrophobicContact CB-CG2 3.85Å; F540-T549 HydrophobicContact CD2-CG2 3.75Å; F540-T549 HydrophobicContact CG-CG2 4.21Å; R541-T549 WeakPolarHBondContact O-CA 3.23Å; R541-T549 WeakPolarHBondContact O-CG2 3.37Å; M542-T549 WeakPolarHBondContact CA-OG1 3.43Å; M542-T549 HydrophobicContact CG-CG2 4.34Å; T549-H577 WeakPolarHBondContact CG2-NE2 3.21Å; T549-H577 PolarHBondContact OG1-CD2 2.77Å; T549-H577 PolarHBondContact OG1-NE2 2.93Å; T549-H584 PolarHBondContact N-O 3.28Å; T549-F585 HydrophobicContact CG2-CD1 3.97Å; T549-F585 HydrophobicContact CG2-CE1 3.9Å; T549-F585 WeakPolarHBondContact O-CA 3.4Å; T549-L586 PolarHBondContact O-N 3.19Å
550E97.7Very high92.7Very high7 Ų730.6 Ų30.63%0.03318%0.175CC..EExtended strand (participates in β ladder)trans-85.3123.6171.2176-178.8-148.900109.5F540 R541 F543 F548 V552 L586 I617 K618F540-E550 CarbonylContact C-O 3.51Å; F540-E550 WeakPolarHBondContact CA-O 3.48Å; F540-E550 VanDerWaalsContact CB-O 3.3Å; F540-E550 WeakPolarHBondContact CB-O 3.48Å; R541-E550 HydrophobicContact CB-CB 4.49Å; R541-E550 PolarHBondContact N-O 2.97Å; R541-E550 PolarHBondContact O-N 3.39Å; F543-E550 HydrophobicContact CE2-CB 4.01Å; F548-E550 HydrophobicContact CE2-CB 4.42Å; E550-V552 HydrophobicContact CG-CG2 3.86Å; E550-L586 CarbonylContact C-O 3.55Å; E550-L586 WeakPolarHBondContact CA-O 3.49Å; E550-I617 HydrophobicContact CB-CG1 4.48Å; E550-I617 HydrophobicContact CG-CD1 4.24Å; E550-I617 HydrophobicContact CG-CG1 3.89Å; E550-I617 VanDerWaalsContact OE1-CG1 3.29Å; E550-I617 WeakPolarHBondContact OE1-CG1 3.48Å; E550-K618 PolarHBondContact OE1-N 2.94Å
551I97.8Very high91.8Very high3 Ų334.1 Ų34.12%0.01519%0.192CC..EExtended strand (participates in β ladder)trans-90.3112.8165.6-62.3177.1000107.5I538 C554 M570 L573 F585 L586 T587 F597 F602I538-I551 HydrophobicContact CG2-CG1 4.48Å; I538-I551 HydrophobicContact CG2-CG2 3.67Å; I551-C554 HydrophobicContact CG2-CB 4.26Å; I551-M570 HydrophobicContact CD1-CE 3.88Å; I551-M570 HydrophobicContact CD1-SD 4.22Å; I551-L573 HydrophobicContact CD1-CD2 3.73Å; I551-L573 HydrophobicContact CG1-CD2 4.15Å; I551-F585 HydrophobicContact CD1-CB 4.37Å; I551-F585 HydrophobicContact CD1-CD1 4.35Å; I551-F585 HydrophobicContact CD1-CD2 4.46Å; I551-F585 HydrophobicContact CD1-CG 4.18Å; I551-F585 HydrophobicContact CG1-CD1 4.36Å; I551-L586 PolarHBondContact N-O 2.97Å; I551-T587 PolarHBondContact O-OG1 3.3Å; I551-F597 HydrophobicContact CD1-CE1 4.47Å; I551-F597 HydrophobicContact CG2-CE1 4.44Å; I551-F597 HydrophobicContact CG2-CZ 4.38Å; I551-F602 HydrophobicContact CD1-CE1 4.39Å; I551-F602 HydrophobicContact CD1-CZ 3.75Å
552V96.1Very high90.7Very high15 Ų1533.6 Ų33.69%0.09120%0.196CC..EExtended strand (participates in β ladder)trans-89.3-53.9-173.9179.10000110.4L512 C539 E550L512-V552 HydrophobicContact CD1-CG1 3.47Å; L512-V552 VanDerWaalsContact CD1-CG1 3.47Å; C539-V552 PolarHBondContact O-N 2.97Å; E550-V552 HydrophobicContact CG-CG2 3.86Å
553F96.3Very high89.9Confident4 Ų433.3 Ų33.32%0.01819%0.194CC..EExtended strand (participates in β ladder)trans-129.4142.3178.1-52.6-47.6000110.2F497 L501 M504 Y508 I509 L512 I538 C539F497-F553 HydrophobicContact CD1-CB 4.07Å; F497-F553 HydrophobicContact CD2-CB 3.95Å; F497-F553 AromaticContact CD2-CD2 3.89Å; F497-F553 HydrophobicContact CD2-CD2 3.89Å; F497-F553 HydrophobicContact CD2-CG 4.26Å; F497-F553 HydrophobicContact CE1-CB 3.94Å; F497-F553 HydrophobicContact CE2-CB 3.83Å; F497-F553 HydrophobicContact CE2-CD2 4.16Å; F497-F553 HydrophobicContact CE2-CG 4.47Å; F497-F553 HydrophobicContact CG-CB 4.11Å; F497-F553 HydrophobicContact CG-CD2 4.49Å; F497-F553 HydrophobicContact CZ-CB 3.82Å; L501-F553 HydrophobicContact CD1-CB 4.02Å; L501-F553 HydrophobicContact CD1-CD1 3.74Å; L501-F553 HydrophobicContact CD1-CG 4.1Å; M504-F553 HydrophobicContact CG-CE1 4.38Å; Y508-F553 HydrophobicContact CD1-CZ 4Å; Y508-F553 HydrophobicContact CE1-CE1 4.11Å; Y508-F553 AromaticContact CE1-CZ 3.8Å; Y508-F553 HydrophobicContact CE1-CZ 3.8Å; I509-F553 HydrophobicContact CB-CE2 4.21Å; I509-F553 HydrophobicContact CB-CZ 4.3Å; I509-F553 HydrophobicContact CG1-CE1 4.44Å; I509-F553 HydrophobicContact CG1-CE2 4.29Å; I509-F553 HydrophobicContact CG1-CZ 3.97Å; I509-F553 HydrophobicContact CG2-CD2 4.33Å; I509-F553 HydrophobicContact CG2-CE2 3.93Å; I509-F553 HydrophobicContact CG2-CZ 4.45Å; L512-F553 HydrophobicContact CB-CE2 3.97Å; L512-F553 HydrophobicContact CB-CZ 4.44Å; L512-F553 HydrophobicContact CD1-CE2 4.13Å; L512-F553 HydrophobicContact CD1-CZ 3.84Å; I538-F553 CarbonylContact C-O 3.59Å; I538-F553 VanDerWaalsContact CA-O 3.25Å; I538-F553 WeakPolarHBondContact CA-O 3.32Å; I538-F553 WeakPolarHBondContact CG2-O 3.41Å; C539-F553 HydrophobicContact CB-CB 3.99Å; C539-F553 HydrophobicContact CB-CD2 3.83Å; C539-F553 HydrophobicContact CB-CG 4.31Å; C539-F553 PolarHBondContact N-O 2.91Å; C539-F553 PolarHBondContact O-N 3.32Å
554C96.2Very high89.5Confident32 Ų3233 Ų3322%0.21620%0.195CC..EExtended strand (participates in β ladder)trans-148.2113.6174.4176.40000108.5I538 I551 F597I538-C554 HydrophobicContact CG1-CB 4.35Å; I538-C554 HydrophobicContact CG2-CB 4.46Å; I551-C554 HydrophobicContact CG2-CB 4.26Å; C554-F597 HydrophobicContact CB-CZ 4.21Å
555A94.6Very high89.4Confident11 Ų1128.6 Ų28.69%0.09117%0.166CC..EExtended strand (participates in β ladder)trans-152.4155.6-179.900000112.4F497 Q500 G536 G537F497-A555 HydrophobicContact CD1-CB 3.77Å; F497-A555 HydrophobicContact CE1-CB 3.98Å; Q500-A555 HydrophobicContact CB-CB 3.61Å; Q500-A555 HydrophobicContact CG-CB 4.07Å; G536-A555 CarbonylContact C-O 3.43Å; G536-A555 WeakPolarHBondContact CA-O 3.5Å; G537-A555 PolarHBondContact N-O 2.91Å; G537-A555 PolarHBondContact O-N 3.22Å; G537-A555 VanDerWaalsContact O-N 3.1Å
556V92.7Very high89.5Confident14 Ų1424.4 Ų24.49%0.08514%0.14CC..EExtended strand (participates in β ladder)trans-131.8140.9170.11780000106.5Q500 I535 E560 Q561 Y565 M569Q500-V556 PolarHBondContact OE1-O 3.33Å; I535-V556 CarbonylContact O-C 3.55Å; I535-V556 WeakPolarHBondContact O-CA 3.39Å; V556-E560 HydrophobicContact CG1-CB 3.85Å; V556-Q561 HydrophobicContact CB-CG 4.09Å; V556-Q561 HydrophobicContact CG1-CG 4.33Å; V556-Q561 WeakPolarHBondContact O-CG 3.42Å; V556-Q561 PolarHBondContact O-NE2 3.48Å; V556-Y565 HydrophobicContact CG1-CD2 4.4Å; V556-M569 HydrophobicContact CG2-CE 4.34Å; V556-M569 HydrophobicContact CG2-SD 3.6Å; V556-M569 VanDerWaalsContact CG2-SD 3.6Å
557I87.3Confident89.5Confident31 Ų3124.5 Ų24.516%0.15914%0.143CC..  trans-57.2143.1177.261.8176000110.9V496 I535 N559 E560 Q561V496-I557 HydrophobicContact CB-CG2 4.3Å; V496-I557 HydrophobicContact CG1-CG2 3.83Å; V496-I557 HydrophobicContact CG2-CG2 3.72Å; I535-I557 HydrophobicContact CB-CD1 3.63Å; I535-I557 HydrophobicContact CB-CG1 3.85Å; I535-I557 HydrophobicContact CG2-CD1 3.59Å; I535-I557 HydrophobicContact CG2-CG1 4.37Å; I535-I557 WeakPolarHBondContact O-CG1 3.39Å; I535-I557 PolarHBondContact O-N 2.97Å; I557-N559 VanDerWaalsContact C-N 3.33Å; I557-N559 WeakPolarHBondContact CD1-OD1 3.44Å; I557-N559 WeakPolarHBondContact CG1-OD1 3.49Å; I557-N559 PolarHBondContact O-N 3.3Å; I557-E560 HydrophobicContact CD1-CB 4.41Å; I557-E560 HydrophobicContact CD1-CG 3.68Å; I557-E560 HydrophobicContact CG1-CB 3.76Å; I557-E560 HydrophobicContact CG1-CG 3.6Å; I557-E560 CarbonylContact O-C 3.49Å; I557-E560 PolarHBondContact O-N 2.96Å; I557-Q561 WeakPolarHBondContact O-CG 3.02Å; I557-Q561 PolarHBondContact O-N 3.42Å; I557-Q561 VanDerWaalsContact O-N 3.08Å
558F78.4Confident89.5Confident59 Ų5923.5 Ų23.526%0.25913%0.132SC..G310 helixtrans-53-42.3-167.4179.9-99.4000115F118 E560 Q561F118-F558 HydrophobicContact CB-CZ 4.13Å; F118-F558 VanDerWaalsContact O-CE1 3.29Å; F118-F558 WeakPolarHBondContact O-CE1 3.41Å; F118-F558 VanDerWaalsContact O-CE2 3.26Å; F118-F558 WeakPolarHBondContact O-CE2 3.22Å; F118-F558 WeakPolarHBondContact O-CZ 3.39Å; F558-E560 PolarHBondContact O-N 3.44Å; F558-Q561 PolarHBondContact O-N 3.38Å
559N75.2Confident89.5Confident72 Ų7223.5 Ų23.539%0.38513%0.132SC..G310 helixtrans-70.4-17179.761-27.2000114.2I557 K563I557-N559 VanDerWaalsContact C-N 3.33Å; I557-N559 WeakPolarHBondContact CD1-OD1 3.44Å; I557-N559 WeakPolarHBondContact CG1-OD1 3.49Å; I557-N559 PolarHBondContact O-N 3.3Å; N559-K563 WeakPolarHBondContact O-CE 3.43Å
560E82.9Confident89.4Confident14 Ų1423.5 Ų23.57%0.06513%0.132CC..G310 helixtrans-106.3-6.5178.6-59.8-58.8159.800112.4K525 I535 V556 I557 F558 K563 Y565K525-E560 IonicContact NZ-OE1 2.67Å; K525-E560 PolarHBondContact NZ-OE1 3.18Å; K525-E560 IonicContact NZ-OE2 3.22Å; K525-E560 PolarHBondContact NZ-OE2 2.99Å; K525-E560 VanDerWaalsContact NZ-OE2 3.09Å; I535-E560 HydrophobicContact CB-CG 4.21Å; I535-E560 HydrophobicContact CD1-CB 4.01Å; I535-E560 HydrophobicContact CD1-CG 3.88Å; I535-E560 HydrophobicContact CG2-CG 4.39Å; V556-E560 HydrophobicContact CG1-CB 3.85Å; I557-E560 HydrophobicContact CD1-CB 4.41Å; I557-E560 HydrophobicContact CD1-CG 3.68Å; I557-E560 HydrophobicContact CG1-CB 3.76Å; I557-E560 HydrophobicContact CG1-CG 3.6Å; I557-E560 CarbonylContact O-C 3.49Å; I557-E560 PolarHBondContact O-N 2.96Å; F558-E560 PolarHBondContact O-N 3.44Å; E560-K563 IonicContact OE1-NZ 3.51Å; E560-K563 WeakPolarHBondContact OE2-CD 3.22Å; E560-K563 WeakPolarHBondContact OE2-CE 3.37Å; E560-K563 IonicContact OE2-NZ 2.69Å; E560-K563 PolarHBondContact OE2-NZ 3.36Å; E560-Y565 HydrophobicContact CB-CD2 3.96Å; E560-Y565 HydrophobicContact CB-CE2 3.82Å; E560-Y565 HydrophobicContact CG-CE2 4.41Å; E560-Y565 VanDerWaalsContact O-CD2 3.22Å; E560-Y565 WeakPolarHBondContact O-CD2 3.39Å; E560-Y565 WeakPolarHBondContact OE2-CE2 3.46Å
561Q78.7Confident89.3Confident75 Ų7523.6 Ų23.635%0.3513%0.132SC..THydrogen-bonded Turntrans-62163.8170.9-69-177.917.600110.9Q500 V556 I557 F558 K563Q500-Q561 VanDerWaalsContact OE1-NE2 3.12Å; V556-Q561 HydrophobicContact CB-CG 4.09Å; V556-Q561 HydrophobicContact CG1-CG 4.33Å; V556-Q561 WeakPolarHBondContact O-CG 3.42Å; V556-Q561 PolarHBondContact O-NE2 3.48Å; I557-Q561 WeakPolarHBondContact O-CG 3.02Å; I557-Q561 PolarHBondContact O-N 3.42Å; I557-Q561 VanDerWaalsContact O-N 3.08Å; F558-Q561 PolarHBondContact O-N 3.38Å; Q561-K563 PolarHBondContact O-N 2.92Å
562V73.8Confident89.2Confident59 Ų5925.5 Ų25.536%0.35814%0.141SC..THydrogen-bonded Turntrans70.1-12.4175.9-179.40000114.7L179 R456 G564L179-V562 HydrophobicContact CD2-CB 4.42Å; L179-V562 HydrophobicContact CD2-CG2 4.12Å; R456-V562 PolarHBondContact NE-O 2.91Å; R456-V562 VanDerWaalsContact NH2-CB 3.31Å; R456-V562 PolarHBondContact NH2-O 2.93Å; V562-G564 VanDerWaalsContact C-N 3.27Å; V562-G564 PolarHBondContact O-N 3.41Å
563K79.8Confident89.3Confident27 Ų2724.8 Ų24.812%0.11714%0.137CC..SBendtrans-76.6-1.6176.2-62-175.9-176.1179.50115.7N559 E560 Q561 Y565N559-K563 WeakPolarHBondContact O-CE 3.43Å; E560-K563 IonicContact OE1-NZ 3.51Å; E560-K563 WeakPolarHBondContact OE2-CD 3.22Å; E560-K563 WeakPolarHBondContact OE2-CE 3.37Å; E560-K563 IonicContact OE2-NZ 2.69Å; E560-K563 PolarHBondContact OE2-NZ 3.36Å; Q561-K563 PolarHBondContact O-N 2.92Å; K563-Y565 HydrophobicContact CB-CD2 4.16Å; K563-Y565 HydrophobicContact CB-CE1 4.43Å; K563-Y565 HydrophobicContact CB-CE2 3.99Å; K563-Y565 HydrophobicContact CB-CG 4.47Å; K563-Y565 HydrophobicContact CD-CE2 3.83Å; K563-Y565 HydrophobicContact CG-CE2 4.49Å
564G86.1Confident89.3Confident7 Ų725.1 Ų25.17%0.07214%0.138CC..SBendtrans95.3-8-179.500000114.6V562 G566 T567 Q568V562-G564 VanDerWaalsContact C-N 3.27Å; V562-G564 PolarHBondContact O-N 3.41Å; G564-G566 VanDerWaalsContact C-N 3.33Å; G564-G566 PolarHBondContact O-N 3.43Å; G564-T567 PolarHBondContact O-N 2.93Å; G564-T567 VanDerWaalsContact O-N 3.11Å; G564-Q568 PolarHBondContact O-N 3.47Å
565Y92.8Very high89.3Confident1 Ų124.6 Ų24.60%0.00413%0.134CC..Hα-helixtrans-54.6-42.3-180-61-32000114A460 E463 I469 L523 I535 V556 E560 K563 T567 Q568 M569A460-Y565 HydrophobicContact CB-CD1 3.73Å; A460-Y565 HydrophobicContact CB-CE1 4.22Å; E463-Y565 VanDerWaalsContact CD-OH 3.27Å; E463-Y565 PolarHBondContact OE1-OH 3.43Å; E463-Y565 PolarHBondContact OE2-OH 3.01Å; I469-Y565 HydrophobicContact CD1-CD1 3.75Å; I469-Y565 HydrophobicContact CD1-CE1 3.65Å; I469-Y565 HydrophobicContact CG2-CE1 4.09Å; L523-Y565 HydrophobicContact CD2-CD2 4.01Å; L523-Y565 HydrophobicContact CD2-CG 3.84Å; I535-Y565 HydrophobicContact CD1-CD2 3.94Å; I535-Y565 HydrophobicContact CD1-CE2 3.75Å; V556-Y565 HydrophobicContact CG1-CD2 4.4Å; E560-Y565 HydrophobicContact CB-CD2 3.96Å; E560-Y565 HydrophobicContact CB-CE2 3.82Å; E560-Y565 HydrophobicContact CG-CE2 4.41Å; E560-Y565 VanDerWaalsContact O-CD2 3.22Å; E560-Y565 WeakPolarHBondContact O-CD2 3.39Å; E560-Y565 WeakPolarHBondContact OE2-CE2 3.46Å; K563-Y565 HydrophobicContact CB-CD2 4.16Å; K563-Y565 HydrophobicContact CB-CE1 4.43Å; K563-Y565 HydrophobicContact CB-CE2 3.99Å; K563-Y565 HydrophobicContact CB-CG 4.47Å; K563-Y565 HydrophobicContact CD-CE2 3.83Å; K563-Y565 HydrophobicContact CG-CE2 4.49Å; Y565-T567 PolarHBondContact O-N 3.21Å; Y565-Q568 PolarHBondContact O-N 3.06Å; Y565-Q568 VanDerWaalsContact O-N 3.12Å; Y565-M569 WeakPolarHBondContact O-CB 3.26Å; Y565-M569 VanDerWaalsContact O-CG 3.24Å; Y565-M569 WeakPolarHBondContact O-CG 3.47Å; Y565-M569 PolarHBondContact O-N 3.4Å
566G92.9Very high89.4Confident17 Ų1725.7 Ų25.718%0.17514%0.136CC..Hα-helixtrans-59.4-43.8177.200000113.1G564 Q568 M569 M570 Y596G564-G566 VanDerWaalsContact C-N 3.33Å; G564-G566 PolarHBondContact O-N 3.43Å; G566-Q568 VanDerWaalsContact C-N 3.33Å; G566-Q568 PolarHBondContact O-N 3.46Å; G566-M569 PolarHBondContact O-N 3.34Å; G566-M570 WeakPolarHBondContact O-CB 3.46Å; G566-M570 PolarHBondContact O-N 3.46Å; G566-Y596 PolarHBondContact O-OH 3.34Å
567T92.8Very high89.7Confident43 Ų4325 Ų2526%0.26413%0.132SC..Hα-helixtrans-62.6-42.6174.2-58.80000110.9D457 G564 Y565 M570 N571 Q600D457-T567 HydrophobicContact CB-CG2 4.07Å; G564-T567 PolarHBondContact O-N 2.93Å; G564-T567 VanDerWaalsContact O-N 3.11Å; Y565-T567 PolarHBondContact O-N 3.21Å; T567-M570 PolarHBondContact O-N 3.43Å; T567-N571 WeakPolarHBondContact O-CB 3.48Å; T567-N571 PolarHBondContact O-N 3.31Å; T567-N571 PolarHBondContact O-ND2 3.31Å; T567-Q600 PolarHBondContact OG1-NE2 3.49Å; T567-Q600 VanDerWaalsContact OG1-NE2 3.12Å
568Q93.2Very high90Very high2 Ų225 Ų251%0.00913%0.131CC..Hα-helixtrans-66.2-42.6179.6-169.758.910.700112.4A460 R461 E464 F471 G564 Y565 G566 M570 N571 H572A460-Q568 HydrophobicContact CB-CB 3.95Å; A460-Q568 HydrophobicContact CB-CG 4.34Å; R461-Q568 VanDerWaalsContact CG-CD 3.4Å; R461-Q568 HydrophobicContact CG-CG 4.45Å; R461-Q568 VanDerWaalsContact CG-NE2 3.35Å; E464-Q568 PolarHBondContact OE2-NE2 3.43Å; F471-Q568 HydrophobicContact CE2-CG 3.74Å; F471-Q568 HydrophobicContact CZ-CB 4.05Å; F471-Q568 HydrophobicContact CZ-CG 3.55Å; G564-Q568 PolarHBondContact O-N 3.47Å; Y565-Q568 PolarHBondContact O-N 3.06Å; Y565-Q568 VanDerWaalsContact O-N 3.12Å; G566-Q568 VanDerWaalsContact C-N 3.33Å; G566-Q568 PolarHBondContact O-N 3.46Å; Q568-M570 PolarHBondContact O-N 3.17Å; Q568-N571 PolarHBondContact O-N 3.33Å; Q568-H572 PolarHBondContact NE2-NE2 3.19Å; Q568-H572 PolarHBondContact O-CD2 3.04Å; Q568-H572 VanDerWaalsContact O-CD2 3.27Å; Q568-H572 PolarHBondContact O-N 3.49Å
569M95.7Very high90.7Very high0 Ų029.2 Ų29.20%015%0.152CC..Hα-helixtrans-56.8-47.8172.1-71.1167.648.800111.4F471 L521 L523 G537 I538 V556 Y565 G566 N571 H572 L573F471-M569 HydrophobicContact CD1-CG 4.08Å; F471-M569 HydrophobicContact CE1-CB 4.3Å; F471-M569 HydrophobicContact CE1-CG 3.46Å; F471-M569 VanDerWaalsContact CE1-CG 3.46Å; F471-M569 HydrophobicContact CZ-CG 4.49Å; L521-M569 HydrophobicContact CD2-CB 4.25Å; L521-M569 WeakPolarHBondContact CD2-O 3.28Å; L523-M569 HydrophobicContact CB-CG 4.15Å; L523-M569 HydrophobicContact CB-SD 3.89Å; L523-M569 HydrophobicContact CD2-CG 4.38Å; L523-M569 HydrophobicContact CD2-SD 3.78Å; L523-M569 HydrophobicContact CG-SD 4.48Å; G537-M569 WeakPolarHBondContact O-CE 3.25Å; I538-M569 HydrophobicContact CD1-CB 4.1Å; I538-M569 HydrophobicContact CD1-CE 4.18Å; I538-M569 HydrophobicContact CG1-CE 3.5Å; V556-M569 HydrophobicContact CG2-CE 4.34Å; V556-M569 HydrophobicContact CG2-SD 3.6Å; V556-M569 VanDerWaalsContact CG2-SD 3.6Å; Y565-M569 WeakPolarHBondContact O-CB 3.26Å; Y565-M569 VanDerWaalsContact O-CG 3.24Å; Y565-M569 WeakPolarHBondContact O-CG 3.47Å; Y565-M569 PolarHBondContact O-N 3.4Å; G566-M569 PolarHBondContact O-N 3.34Å; M569-N571 VanDerWaalsContact C-N 3.33Å; M569-N571 PolarHBondContact O-N 3Å; M569-H572 PolarHBondContact O-N 3.47Å; M569-L573 WeakPolarHBondContact O-CB 3.35Å; M569-L573 PolarHBondContact O-N 3.09Å
570M96.1Very high91.7Very high0 Ų029.8 Ų29.80%015%0.152CC..Hα-helixtrans-64.3-38.1178.9-176.562.165.400112.1I538 I551 G566 T567 Q568 L573 K574 Y596 F597 Q600 F602I538-M570 HydrophobicContact CD1-CE 4.26Å; I551-M570 HydrophobicContact CD1-CE 3.88Å; I551-M570 HydrophobicContact CD1-SD 4.22Å; G566-M570 WeakPolarHBondContact O-CB 3.46Å; G566-M570 PolarHBondContact O-N 3.46Å; T567-M570 PolarHBondContact O-N 3.43Å; Q568-M570 PolarHBondContact O-N 3.17Å; M570-L573 WeakPolarHBondContact O-CB 3.36Å; M570-L573 PolarHBondContact O-N 2.94Å; M570-L573 HydrophobicContact SD-CD2 4.17Å; M570-K574 HydrophobicContact CG-CD 4.39Å; M570-K574 VanDerWaalsContact O-CG 3.25Å; M570-K574 WeakPolarHBondContact O-CG 3.32Å; M570-K574 PolarHBondContact O-N 3.17Å; M570-Y596 HydrophobicContact CE-CE1 4.22Å; M570-F597 HydrophobicContact CE-CD1 4.4Å; M570-F597 HydrophobicContact CE-CE1 4.05Å; M570-Q600 HydrophobicContact CB-CG 4.3Å; M570-Q600 HydrophobicContact CE-CG 4.47Å; M570-Q600 HydrophobicContact CG-CB 3.92Å; M570-Q600 HydrophobicContact CG-CG 3.93Å; M570-F602 HydrophobicContact CE-CE2 4.04Å; M570-F602 HydrophobicContact CE-CZ 4.37Å; M570-F602 HydrophobicContact SD-CE2 4.03Å; M570-F602 HydrophobicContact SD-CZ 4.4Å
571N95.3Very high92.2Very high9 Ų937 Ų375%0.04818%0.184CC..Hα-helixtrans-64.5-44.5176.3-72.9-18.1000111.9T567 Q568 M569 L573 K574 D575 Y636 T637T567-N571 WeakPolarHBondContact O-CB 3.48Å; T567-N571 PolarHBondContact O-N 3.31Å; T567-N571 PolarHBondContact O-ND2 3.31Å; Q568-N571 PolarHBondContact O-N 3.33Å; M569-N571 VanDerWaalsContact C-N 3.33Å; M569-N571 PolarHBondContact O-N 3Å; N571-L573 VanDerWaalsContact C-N 3.34Å; N571-L573 PolarHBondContact O-N 2.95Å; N571-K574 PolarHBondContact O-N 3.05Å; N571-D575 PolarHBondContact O-N 2.92Å; N571-Y636 VanDerWaalsContact CG-O 3.25Å; N571-Y636 PolarHBondContact ND2-O 3.15Å; N571-T637 HydrophobicContact CB-CG2 4.29Å
572H96.4Very high93Very high43 Ų4333.5 Ų33.520%0.19917%0.167CC..Hα-helixtrans-60-43.1172.1-83.7-69000112.1E464 F471 L521 Q568 M569 K574 D575 Y576E464-H572 VanDerWaalsContact CD-NE2 3.27Å; E464-H572 IonicContact OE1-CE1 2.95Å; E464-H572 PolarHBondContact OE1-CE1 2.87Å; E464-H572 IonicContact OE1-NE2 3.74Å; E464-H572 PolarHBondContact OE1-NE2 3.12Å; E464-H572 IonicContact OE2-CE1 2.82Å; E464-H572 IonicContact OE2-NE2 3.73Å; E464-H572 PolarHBondContact OE2-NE2 3.45Å; F471-H572 AromaticContact CD2-CD2 3.36Å; F471-H572 WeakPolarHBondContact CD2-CD2 3.46Å; F471-H572 AromaticContact CD2-NE2 3.24Å; F471-H572 WeakPolarHBondContact CD2-NE2 3.29Å; F471-H572 AromaticContact CE2-CD2 3.58Å; F471-H572 AromaticContact CE2-NE2 3.53Å; F471-H572 AromaticContact CG-CD2 3.62Å; F471-H572 AromaticContact CG-NE2 3.91Å; L521-H572 HydrophobicContact CD2-CB 4.3Å; Q568-H572 PolarHBondContact NE2-NE2 3.19Å; Q568-H572 PolarHBondContact O-CD2 3.04Å; Q568-H572 VanDerWaalsContact O-CD2 3.27Å; Q568-H572 PolarHBondContact O-N 3.49Å; M569-H572 PolarHBondContact O-N 3.47Å; H572-K574 PolarHBondContact O-N 3.42Å; H572-D575 PolarHBondContact O-N 3.36Å; H572-Y576 WeakPolarHBondContact O-CB 3.13Å; H572-Y576 PolarHBondContact O-N 3.44Å
573L97.7Very high94Very high0 Ų034.1 Ų34.10%017%0.165CC..Hα-helixtrans-60.4-45.2176.7-169.774.4000111.5L521 I538 F540 I551 M569 M570 N571 Y576 H577 F585L521-L573 HydrophobicContact CB-CD1 4.4Å; L521-L573 HydrophobicContact CD2-CB 4.05Å; L521-L573 HydrophobicContact CD2-CD1 4.35Å; I538-L573 HydrophobicContact CD1-CB 4.42Å; I538-L573 HydrophobicContact CD1-CD2 3.92Å; I538-L573 HydrophobicContact CG2-CD2 3.97Å; F540-L573 HydrophobicContact CD1-CD1 3.57Å; F540-L573 HydrophobicContact CE1-CD1 3.49Å; F540-L573 VanDerWaalsContact CE1-CD1 3.49Å; F540-L573 HydrophobicContact CG-CD1 4.15Å; F540-L573 HydrophobicContact CZ-CD1 3.99Å; I551-L573 HydrophobicContact CD1-CD2 3.73Å; I551-L573 HydrophobicContact CG1-CD2 4.15Å; M569-L573 WeakPolarHBondContact O-CB 3.35Å; M569-L573 PolarHBondContact O-N 3.09Å; M570-L573 WeakPolarHBondContact O-CB 3.36Å; M570-L573 PolarHBondContact O-N 2.94Å; M570-L573 HydrophobicContact SD-CD2 4.17Å; N571-L573 VanDerWaalsContact C-N 3.34Å; N571-L573 PolarHBondContact O-N 2.95Å; L573-Y576 PolarHBondContact O-N 3.45Å; L573-H577 PolarHBondContact O-N 3.47Å; L573-H577 PolarHBondContact O-ND1 3.46Å; L573-F585 HydrophobicContact CD2-CE1 4.33Å; L573-F585 HydrophobicContact CD2-CE2 4.36Å; L573-F585 HydrophobicContact CD2-CZ 3.99Å; L573-F585 HydrophobicContact CG-CE1 4.48Å; L573-F585 HydrophobicContact CG-CZ 3.93Å
574K97.4Very high94.9Very high11 Ų1134.5 Ų34.55%0.04817%0.167CC..Hα-helixtrans-60.4-50.3177.4-73.8173176.2176.60111.5M570 N571 H572 Y576 H577 L578 F585 Q600 L630 Y636M570-K574 HydrophobicContact CG-CD 4.39Å; M570-K574 VanDerWaalsContact O-CG 3.25Å; M570-K574 WeakPolarHBondContact O-CG 3.32Å; M570-K574 PolarHBondContact O-N 3.17Å; N571-K574 PolarHBondContact O-N 3.05Å; H572-K574 PolarHBondContact O-N 3.42Å; K574-Y576 VanDerWaalsContact C-N 3.29Å; K574-Y576 PolarHBondContact O-N 3Å; K574-H577 PolarHBondContact O-N 2.64Å; K574-H577 VanDerWaalsContact O-N 3.09Å; K574-L578 WeakPolarHBondContact O-CG 3.41Å; K574-L578 PolarHBondContact O-N 3.17Å; K574-F585 HydrophobicContact CG-CE2 3.71Å; K574-Q600 PolarHBondContact NZ-O 3.15Å; K574-L630 HydrophobicContact CB-CD1 4.41Å; K574-L630 HydrophobicContact CB-CD2 4.37Å; K574-L630 HydrophobicContact CD-CD2 4Å; K574-L630 HydrophobicContact CG-CD1 4.38Å; K574-L630 HydrophobicContact CG-CD2 3.68Å; K574-Y636 HydrophobicContact CB-CD1 4.4Å; K574-Y636 HydrophobicContact CB-CD2 3.54Å; K574-Y636 HydrophobicContact CB-CE2 4.06Å; K574-Y636 HydrophobicContact CB-CG 3.71Å; K574-Y636 HydrophobicContact CD-CD1 3.39Å; K574-Y636 HydrophobicContact CD-CD2 4.02Å; K574-Y636 HydrophobicContact CD-CE1 3.65Å; K574-Y636 HydrophobicContact CD-CE2 4.23Å; K574-Y636 HydrophobicContact CD-CG 3.58Å; K574-Y636 HydrophobicContact CG-CD2 4.34Å; K574-Y636 HydrophobicContact CG-CG 4.28Å
575D96Very high95.4Very high22 Ų2234.2 Ų34.212%0.11816%0.164CC..Hα-helixtrans-60.6-39.1179.8-74.4-9.8000111.5N571 H572 L578 Q579 Y636 T637N571-D575 PolarHBondContact O-N 2.92Å; H572-D575 PolarHBondContact O-N 3.36Å; D575-L578 PolarHBondContact O-N 3.36Å; D575-Q579 WeakPolarHBondContact O-CG 3.29Å; D575-Q579 PolarHBondContact O-N 3.49Å; D575-Y636 WeakPolarHBondContact OD1-CB 3.38Å; D575-Y636 PolarHBondContact OD1-N 3.23Å; D575-Y636 PolarHBondContact OD2-N 2.98Å; D575-T637 VanDerWaalsContact OD2-CB 3.28Å; D575-T637 WeakPolarHBondContact OD2-CB 3.25Å; D575-T637 WeakPolarHBondContact OD2-CG2 3.43Å; D575-T637 PolarHBondContact OD2-N 2.8Å; D575-T637 PolarHBondContact OD2-OG1 3.12Å
576Y96.8Very high95.7Very high34 Ų3434.2 Ų34.213%0.13316%0.164CC..Hα-helixtrans-63.2-39.8173.8173.3-93.9000113.1I473 K519 F540 M542 H572 L573 K574 Q579 H580I473-Y576 HydrophobicContact CD1-CD1 3.76Å; I473-Y576 HydrophobicContact CD1-CD2 3.11Å; I473-Y576 HydrophobicContact CD1-CE1 4.01Å; I473-Y576 HydrophobicContact CD1-CE2 3.35Å; I473-Y576 HydrophobicContact CD1-CG 3.31Å; K519-Y576 PolarHBondContact NZ-OH 3.1Å; F540-Y576 HydrophobicContact CE2-CE1 4.07Å; F540-Y576 HydrophobicContact CZ-CD1 4.35Å; F540-Y576 AromaticContact CZ-CE1 3.97Å; F540-Y576 HydrophobicContact CZ-CE1 3.97Å; M542-Y576 HydrophobicContact CE-CE1 4.16Å; M542-Y576 HydrophobicContact SD-CE1 3.99Å; H572-Y576 WeakPolarHBondContact O-CB 3.13Å; H572-Y576 PolarHBondContact O-N 3.44Å; L573-Y576 PolarHBondContact O-N 3.45Å; K574-Y576 VanDerWaalsContact C-N 3.29Å; K574-Y576 PolarHBondContact O-N 3Å; Y576-Q579 WeakPolarHBondContact O-CB 3.27Å; Y576-Q579 PolarHBondContact O-N 3.47Å; Y576-H580 AromaticContact CD2-CE1 3.83Å; Y576-H580 AromaticContact CE1-CE1 3.83Å; Y576-H580 AromaticContact CE1-ND1 3.85Å; Y576-H580 AromaticContact CE2-CE1 3.26Å; Y576-H580 WeakPolarHBondContact CE2-CE1 3Å; Y576-H580 AromaticContact CE2-ND1 3.91Å; Y576-H580 AromaticContact CZ-CE1 3.25Å; Y576-H580 AromaticContact CZ-ND1 3.76Å; Y576-H580 AromaticContact CZ-NE2 3.84Å; Y576-H580 PolarHBondContact O-N 3.1Å; Y576-H580 PolarHBondContact O-ND1 2.86Å; Y576-H580 PolarHBondContact OH-CE1 2.83Å
577H97.4Very high95.9Very high0 Ų033.6 Ų33.60%016%0.157CC..Hα-helixtrans-74.4-32.5179.6-75.379.2000112.9F540 T549 L573 K574 Q579 H580 K581 I582 F585 L630F540-H577 AromaticContact CD2-CE1 3.64Å; F540-H577 AromaticContact CD2-NE2 3.54Å; F540-H577 AromaticContact CE2-CE1 3.43Å; F540-H577 VanDerWaalsContact CE2-CE1 3.43Å; F540-H577 WeakPolarHBondContact CE2-CE1 3.22Å; F540-H577 AromaticContact CE2-NE2 3.48Å; F540-H577 WeakPolarHBondContact CE2-NE2 3.36Å; F540-H577 AromaticContact CZ-CE1 3.92Å; T549-H577 WeakPolarHBondContact CG2-NE2 3.21Å; T549-H577 PolarHBondContact OG1-CD2 2.77Å; T549-H577 PolarHBondContact OG1-NE2 2.93Å; L573-H577 PolarHBondContact O-N 3.47Å; L573-H577 PolarHBondContact O-ND1 3.46Å; K574-H577 PolarHBondContact O-N 2.64Å; K574-H577 VanDerWaalsContact O-N 3.09Å; H577-Q579 VanDerWaalsContact C-N 3.28Å; H577-Q579 PolarHBondContact O-N 3.4Å; H577-H580 CarbonylContact O-C 3.59Å; H577-H580 PolarHBondContact O-N 3.46Å; H577-K581 PolarHBondContact O-N 2.96Å; H577-I582 HydrophobicContact CB-CB 4.41Å; H577-I582 PolarHBondContact O-N 2.95Å; H577-F585 HydrophobicContact CB-CE1 4.08Å; H577-F585 HydrophobicContact CB-CZ 3.78Å; H577-F585 AromaticContact CD2-CE1 3.58Å; H577-F585 AromaticContact CE1-CE1 3.72Å; H577-F585 AromaticContact CE1-CZ 3.97Å; H577-F585 AromaticContact CG-CE1 3.42Å; H577-F585 VanDerWaalsContact CG-CE1 3.42Å; H577-F585 AromaticContact CG-CZ 3.44Å; H577-F585 VanDerWaalsContact CG-CZ 3.44Å; H577-F585 AromaticContact ND1-CE1 3.52Å; H577-F585 AromaticContact ND1-CZ 3.37Å; H577-F585 WeakPolarHBondContact ND1-CZ 3.38Å; H577-F585 AromaticContact NE2-CE1 3.79Å; H577-L630 HydrophobicContact CB-CD1 4.21Å
578L95Very high96Very high29 Ų2933.8 Ų33.815%0.15215%0.153CC..Hα-helixtrans-58.1-41.6169.9-70.6-175.1000111.4K574 D575 H580 K581 F583 L630 I634 Y636K574-L578 WeakPolarHBondContact O-CG 3.41Å; K574-L578 PolarHBondContact O-N 3.17Å; D575-L578 PolarHBondContact O-N 3.36Å; L578-H580 PolarHBondContact O-N 3.16Å; L578-K581 PolarHBondContact O-N 3.33Å; L578-K581 VanDerWaalsContact O-N 3.08Å; L578-F583 HydrophobicContact CD2-CD1 3.86Å; L578-F583 HydrophobicContact CD2-CE1 3.96Å; L578-L630 HydrophobicContact CD2-CB 3.89Å; L578-L630 HydrophobicContact CD2-CD1 4.36Å; L578-I634 VanDerWaalsContact CD1-O 3.24Å; L578-I634 WeakPolarHBondContact CD1-O 3.33Å; L578-Y636 HydrophobicContact CD1-CD2 4.02Å; L578-Y636 HydrophobicContact CD1-CE2 3.93Å
579Q93.7Very high96Very high149 Ų14933.7 Ų33.770%0.69615%0.153SC*.Hα-helixtrans-61.5-29.2175.6-65.8168.913.500112.7D575 Y576 H577D575-Q579 WeakPolarHBondContact O-CG 3.29Å; D575-Q579 PolarHBondContact O-N 3.49Å; Y576-Q579 WeakPolarHBondContact O-CB 3.27Å; Y576-Q579 PolarHBondContact O-N 3.47Å; H577-Q579 VanDerWaalsContact C-N 3.28Å; H577-Q579 PolarHBondContact O-N 3.4Å
580H94.3Very high95.7Very high83 Ų8336 Ų3638%0.38417%0.165SC..THydrogen-bonded Turntrans-93.38.2178.3-68.278.7000113.7M542 Y576 H577 L578 I582M542-H580 HydrophobicContact CE-CB 3.68Å; Y576-H580 AromaticContact CD2-CE1 3.83Å; Y576-H580 AromaticContact CE1-CE1 3.83Å; Y576-H580 AromaticContact CE1-ND1 3.85Å; Y576-H580 AromaticContact CE2-CE1 3.26Å; Y576-H580 WeakPolarHBondContact CE2-CE1 3Å; Y576-H580 AromaticContact CE2-ND1 3.91Å; Y576-H580 AromaticContact CZ-CE1 3.25Å; Y576-H580 AromaticContact CZ-ND1 3.76Å; Y576-H580 AromaticContact CZ-NE2 3.84Å; Y576-H580 PolarHBondContact O-N 3.1Å; Y576-H580 PolarHBondContact O-ND1 2.86Å; Y576-H580 PolarHBondContact OH-CE1 2.83Å; H577-H580 CarbonylContact O-C 3.59Å; H577-H580 PolarHBondContact O-N 3.46Å; L578-H580 PolarHBondContact O-N 3.16Å; H580-I582 HydrophobicContact CB-CG1 4.5Å; H580-I582 PolarHBondContact O-N 2.81Å
581K94.7Very high95.2Very high167 Ų16739.8 Ų39.873%0.72619%0.191SC*.THydrogen-bonded Turntrans56.834.6-178.2-53.8-178.9-180179.30113.6H577 L578 F583H577-K581 PolarHBondContact O-N 2.96Å; L578-K581 PolarHBondContact O-N 3.33Å; L578-K581 VanDerWaalsContact O-N 3.08Å; K581-F583 HydrophobicContact CB-CE2 4.37Å; K581-F583 HydrophobicContact CB-CZ 4.33Å; K581-F583 WeakPolarHBondContact O-CE2 3.37Å
582I95.1Very high94.7Very high1 Ų146.5 Ų46.51%0.00522%0.221CC..  trans-106.6121.8172.7-60.9-174.4000108.5M542 P544 H577 H580M542-I582 HydrophobicContact CB-CD1 4.03Å; M542-I582 HydrophobicContact CE-CD1 3.51Å; M542-I582 HydrophobicContact CG-CD1 4.4Å; P544-I582 HydrophobicContact CB-CD1 4.41Å; P544-I582 HydrophobicContact CG-CD1 4.21Å; H577-I582 HydrophobicContact CB-CB 4.41Å; H577-I582 PolarHBondContact O-N 2.95Å; H580-I582 HydrophobicContact CB-CG1 4.5Å; H580-I582 PolarHBondContact O-N 2.81Å
583F95.4Very high94.4Very high71 Ų7145.7 Ų45.731%0.31122%0.221SC..  trans-112.6-0.2-171.1-54.7-69.3000114.2L578 K581 E629 L630 P632L578-F583 HydrophobicContact CD2-CD1 3.86Å; L578-F583 HydrophobicContact CD2-CE1 3.96Å; K581-F583 HydrophobicContact CB-CE2 4.37Å; K581-F583 HydrophobicContact CB-CZ 4.33Å; K581-F583 WeakPolarHBondContact O-CE2 3.37Å; F583-E629 CarbonylContact O-C 3.54Å; F583-E629 WeakPolarHBondContact O-CA 3.47Å; F583-L630 PolarHBondContact O-N 3.47Å; F583-P632 HydrophobicContact CD1-CG 3.97Å; F583-P632 HydrophobicContact CE1-CB 3.96Å; F583-P632 HydrophobicContact CE1-CG 3.66Å; F583-P632 HydrophobicContact CZ-CG 4.31Å
584H97.4Very high93.9Very high36 Ų3646.7 Ų46.717%0.16723%0.227CC..EExtended strand (participates in β ladder)trans-125.9131.9179.9-60.8-71.1000111.6G547 F548 T549 L608 C628G547-H584 PolarHBondContact O-N 2.78Å; F548-H584 CarbonylContact C-O 3.5Å; F548-H584 WeakPolarHBondContact CA-O 3.21Å; F548-H584 HydrophobicContact CB-CB 3.82Å; F548-H584 WeakPolarHBondContact CB-O 3.45Å; T549-H584 PolarHBondContact N-O 3.28Å; H584-L608 HydrophobicContact CB-CD2 4.23Å; H584-C628 CarbonylContact C-O 3.5Å; H584-C628 WeakPolarHBondContact CA-O 3.37Å
585F98Very high93.6Very high0 Ų047.8 Ų47.80%024%0.242CC..EExtended strand (participates in β ladder)trans-106.5142163.3-68.7-49.5000110.5T549 I551 L573 K574 H577 F602 G627 C628 L630T549-F585 HydrophobicContact CG2-CD1 3.97Å; T549-F585 HydrophobicContact CG2-CE1 3.9Å; T549-F585 WeakPolarHBondContact O-CA 3.4Å; I551-F585 HydrophobicContact CD1-CB 4.37Å; I551-F585 HydrophobicContact CD1-CD1 4.35Å; I551-F585 HydrophobicContact CD1-CD2 4.46Å; I551-F585 HydrophobicContact CD1-CG 4.18Å; I551-F585 HydrophobicContact CG1-CD1 4.36Å; L573-F585 HydrophobicContact CD2-CE1 4.33Å; L573-F585 HydrophobicContact CD2-CE2 4.36Å; L573-F585 HydrophobicContact CD2-CZ 3.99Å; L573-F585 HydrophobicContact CG-CE1 4.48Å; L573-F585 HydrophobicContact CG-CZ 3.93Å; K574-F585 HydrophobicContact CG-CE2 3.71Å; H577-F585 HydrophobicContact CB-CE1 4.08Å; H577-F585 HydrophobicContact CB-CZ 3.78Å; H577-F585 AromaticContact CD2-CE1 3.58Å; H577-F585 AromaticContact CE1-CE1 3.72Å; H577-F585 AromaticContact CE1-CZ 3.97Å; H577-F585 AromaticContact CG-CE1 3.42Å; H577-F585 VanDerWaalsContact CG-CE1 3.42Å; H577-F585 AromaticContact CG-CZ 3.44Å; H577-F585 VanDerWaalsContact CG-CZ 3.44Å; H577-F585 AromaticContact ND1-CE1 3.52Å; H577-F585 AromaticContact ND1-CZ 3.37Å; H577-F585 WeakPolarHBondContact ND1-CZ 3.38Å; H577-F585 AromaticContact NE2-CE1 3.79Å; F585-F602 HydrophobicContact CB-CE1 3.58Å; F585-F602 HydrophobicContact CB-CZ 3.56Å; F585-F602 HydrophobicContact CD2-CZ 4.04Å; F585-F602 HydrophobicContact CG-CZ 4.15Å; F585-G627 CarbonylContact O-C 3.36Å; F585-G627 WeakPolarHBondContact O-CA 3.47Å; F585-C628 HydrophobicContact CB-CB 4.23Å; F585-C628 PolarHBondContact N-O 3.29Å; F585-C628 PolarHBondContact O-N 3.3Å; F585-L630 HydrophobicContact CD2-CD1 4.21Å; F585-L630 HydrophobicContact CD2-CD2 3.99Å; F585-L630 HydrophobicContact CD2-CG 4.38Å; F585-L630 HydrophobicContact CE2-CD1 3.72Å; F585-L630 HydrophobicContact CE2-CD2 4Å; F585-L630 HydrophobicContact CE2-CG 4.31Å; F585-L630 HydrophobicContact CZ-CD1 4.03Å
586L97.6Very high93.4Very high1 Ų149.5 Ų49.51%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-126.6144.7169-62.3179.7000109.3F548 T549 E550 I551 I606 L608 Y613 I617 M626F548-L586 HydrophobicContact CD2-CB 4.24Å; F548-L586 HydrophobicContact CD2-CD1 3.71Å; F548-L586 HydrophobicContact CD2-CG 4.01Å; F548-L586 HydrophobicContact CE2-CD1 3.96Å; F548-L586 HydrophobicContact CG-CD1 4.16Å; T549-L586 PolarHBondContact O-N 3.19Å; E550-L586 CarbonylContact C-O 3.55Å; E550-L586 WeakPolarHBondContact CA-O 3.49Å; I551-L586 PolarHBondContact N-O 2.97Å; L586-I606 HydrophobicContact CD2-CD1 4.33Å; L586-I606 HydrophobicContact CD2-CG1 4.41Å; L586-I606 HydrophobicContact CD2-CG2 3.7Å; L586-L608 HydrophobicContact CD1-CD2 4.39Å; L586-Y613 HydrophobicContact CD1-CD1 3.8Å; L586-Y613 HydrophobicContact CD1-CD2 3.95Å; L586-Y613 HydrophobicContact CD1-CG 3.44Å; L586-Y613 VanDerWaalsContact CD1-CG 3.44Å; L586-I617 HydrophobicContact CB-CD1 3.59Å; L586-I617 HydrophobicContact CD1-CD1 4.42Å; L586-M626 WeakPolarHBondContact CA-O 3.29Å
587T96.9Very high93.3Very high4 Ų448.2 Ų48.23%0.02524%0.242CC..EExtended strand (participates in β ladder)trans-155.8147.4177.5-167.80000110.7I551 F597 F602 L625 M626I551-T587 PolarHBondContact O-OG1 3.3Å; T587-F597 HydrophobicContact CG2-CD1 3.84Å; T587-F597 HydrophobicContact CG2-CD2 4.31Å; T587-F597 HydrophobicContact CG2-CE1 3.74Å; T587-F597 HydrophobicContact CG2-CE2 4.21Å; T587-F597 HydrophobicContact CG2-CG 4.13Å; T587-F597 HydrophobicContact CG2-CZ 3.93Å; T587-F602 HydrophobicContact CG2-CD1 3.87Å; T587-F602 HydrophobicContact CG2-CE1 3.84Å; T587-L625 WeakPolarHBondContact O-CA 3.21Å; T587-M626 HydrophobicContact CG2-CB 4.31Å; T587-M626 PolarHBondContact N-O 3.34Å; T587-M626 PolarHBondContact O-N 3.48Å
588Y95.5Very high93.2Very high47 Ų4756 Ų5618%0.18427%0.271CS..EExtended strand (participates in β ladder)trans-92.8105.5165.5-86.9-88000108.7I617 K618 E619 Y620 A623 L625Y588-I617 HydrophobicContact CD2-CD1 4.16Å; Y588-I617 HydrophobicContact CD2-CG1 4.3Å; Y588-I617 HydrophobicContact CE2-CD1 4.2Å; Y588-I617 HydrophobicContact CE2-CG1 4.23Å; Y588-I617 HydrophobicContact CE2-CG2 4.42Å; Y588-K618 WeakPolarHBondContact CD2-O 3.34Å; Y588-K618 WeakPolarHBondContact CE2-O 3.19Å; Y588-E619 HydrophobicContact CE2-CB 4.36Å; Y588-E619 HydrophobicContact CE2-CG 4.3Å; Y588-E619 WeakPolarHBondContact OH-CG 3.32Å; Y588-Y620 HydrophobicContact CD2-CD2 4.07Å; Y588-Y620 AromaticContact CG-CD2 3.91Å; Y588-Y620 HydrophobicContact CG-CD2 3.91Å; Y588-A623 HydrophobicContact CD1-CB 3.93Å; Y588-A623 HydrophobicContact CG-CB 4.35Å; Y588-L625 HydrophobicContact CD1-CB 4.28Å; Y588-L625 HydrophobicContact CD2-CD1 3.97Å; Y588-L625 HydrophobicContact CE1-CB 3.88Å; Y588-L625 HydrophobicContact CE2-CB 4.44Å; Y588-L625 HydrophobicContact CE2-CD1 3.72Å
589A93.8Very high93.1Very high1 Ų161.2 Ų61.21%0.00829%0.293CS..EExtended strand (participates in β ladder)trans-94127.6-179.600000110.7A593 T594 F597 T624 M626A589-A593 HydrophobicContact CB-CB 4.37Å; A589-T594 HydrophobicContact CB-CG2 4.14Å; A589-F597 HydrophobicContact CB-CD2 3.52Å; A589-F597 HydrophobicContact CB-CE2 3.93Å; A589-F597 HydrophobicContact CB-CG 4.39Å; A589-T624 PolarHBondContact N-O 3.06Å; A589-T624 PolarHBondContact O-N 3.21Å; A589-M626 HydrophobicContact CB-CG 4.4Å; A589-M626 HydrophobicContact CB-SD 3.85Å
590D88.6Confident93.1Very high49 Ų4954.7 Ų54.726%0.26226%0.262SS..  trans-66.5171168.776.38.6000111.2F592 A593 T594D590-F592 PolarHBondContact O-N 2.93Å; D590-F592 VanDerWaalsContact O-N 3.16Å; D590-F592 WeakPolarHBondContact OD1-CA 3.43Å; D590-F592 PolarHBondContact OD1-N 3.01Å; D590-A593 PolarHBondContact O-N 3.47Å; D590-A593 VanDerWaalsContact OD1-CB 3.25Å; D590-A593 WeakPolarHBondContact OD1-CB 3.44Å; D590-A593 PolarHBondContact OD1-N 3.18Å; D590-T594 WeakPolarHBondContact O-CG2 3.3Å; D590-T594 PolarHBondContact O-N 3.44Å
591S85.6Confident93Very high78 Ų7853 Ų5355%0.54527%0.268SS..THydrogen-bonded Turntrans-56.3-33.4-178.954.50000113.2T594S591-T594 PolarHBondContact O-OG1 3.09Å; S591-T594 VanDerWaalsContact O-OG1 3.06Å
592F84.7Confident93.1Very high151 Ų15145.3 Ų45.366%0.66223%0.234SC*.THydrogen-bonded Turntrans-77.3-33.4-178-60.8-73.9000112.1D590D590-F592 PolarHBondContact O-N 2.93Å; D590-F592 VanDerWaalsContact O-N 3.16Å; D590-F592 WeakPolarHBondContact OD1-CA 3.43Å; D590-F592 PolarHBondContact OD1-N 3.01Å
593A90.2Very high93.2Very high26 Ų2647.8 Ų47.822%0.21525%0.252CS..THydrogen-bonded Turntrans-87.3-21-178.100000113.3A589 D590 G595 Y596 F597A589-A593 HydrophobicContact CB-CB 4.37Å; D590-A593 PolarHBondContact O-N 3.47Å; D590-A593 VanDerWaalsContact OD1-CB 3.25Å; D590-A593 WeakPolarHBondContact OD1-CB 3.44Å; D590-A593 PolarHBondContact OD1-N 3.18Å; A593-G595 PolarHBondContact O-N 3.47Å; A593-G595 VanDerWaalsContact O-N 3.14Å; A593-Y596 WeakPolarHBondContact O-CA 3.25Å; A593-Y596 WeakPolarHBondContact O-CB 3.24Å; A593-Y596 PolarHBondContact O-N 3.45Å; A593-F597 HydrophobicContact CB-CD2 3.88Å; A593-F597 HydrophobicContact CB-CE2 3.8Å; A593-F597 WeakPolarHBondContact O-CD2 3.29Å; A593-F597 PolarHBondContact O-N 3.41Å
594T88.9Confident93.1Very high21 Ų2152.1 Ų52.113%0.12927%0.266CS..Hα-helixtrans-53-39.2-178.660.70000113.6A589 D590 S591 R598 M626A589-T594 HydrophobicContact CB-CG2 4.14Å; D590-T594 WeakPolarHBondContact O-CG2 3.3Å; D590-T594 PolarHBondContact O-N 3.44Å; S591-T594 PolarHBondContact O-OG1 3.09Å; S591-T594 VanDerWaalsContact O-OG1 3.06Å; T594-R598 WeakPolarHBondContact O-CB 3.42Å; T594-R598 PolarHBondContact O-N 2.88Å; T594-M626 HydrophobicContact CG2-SD 4.24Å
595G89.4Confident92.8Very high34 Ų3457.5 Ų57.535%0.35129%0.292SS..Hα-helixtrans-69-34177.900000113.2A593 K599A593-G595 PolarHBondContact O-N 3.47Å; A593-G595 VanDerWaalsContact O-N 3.14Å; G595-K599 WeakPolarHBondContact O-CG 3.31Å; G595-K599 PolarHBondContact O-N 3.26Å
596Y92.7Very high92.5Very high57 Ų5759.4 Ų59.422%0.22430%0.301CS..Hα-helixtrans-66.7-55.5172.4164.1-101.5000110.4G566 M570 A593 R598 K599 Q600G566-Y596 PolarHBondContact O-OH 3.34Å; M570-Y596 HydrophobicContact CE-CE1 4.22Å; A593-Y596 WeakPolarHBondContact O-CA 3.25Å; A593-Y596 WeakPolarHBondContact O-CB 3.24Å; A593-Y596 PolarHBondContact O-N 3.45Å; Y596-R598 VanDerWaalsContact C-N 3.3Å; Y596-R598 PolarHBondContact O-N 3.04Å; Y596-K599 WeakPolarHBondContact O-CB 3.39Å; Y596-K599 PolarHBondContact O-N 3.29Å; Y596-Q600 HydrophobicContact CD1-CG 4.49Å; Y596-Q600 HydrophobicContact CD2-CG 4.21Å; Y596-Q600 HydrophobicContact CE1-CG 4.11Å; Y596-Q600 HydrophobicContact CE2-CG 3.79Å; Y596-Q600 WeakPolarHBondContact O-CG 3.43Å; Y596-Q600 PolarHBondContact O-N 3.42Å; Y596-Q600 VanDerWaalsContact O-N 3.12Å
597F95.7Very high92.2Very high8 Ų867.2 Ų67.24%0.03533%0.331CS..Hα-helixtrans-59.5-39-178.4-77.2-70.3000112.4I551 C554 M570 T587 A589 A593 K599 Q600 G601 F602 M626I551-F597 HydrophobicContact CD1-CE1 4.47Å; I551-F597 HydrophobicContact CG2-CE1 4.44Å; I551-F597 HydrophobicContact CG2-CZ 4.38Å; C554-F597 HydrophobicContact CB-CZ 4.21Å; M570-F597 HydrophobicContact CE-CD1 4.4Å; M570-F597 HydrophobicContact CE-CE1 4.05Å; T587-F597 HydrophobicContact CG2-CD1 3.84Å; T587-F597 HydrophobicContact CG2-CD2 4.31Å; T587-F597 HydrophobicContact CG2-CE1 3.74Å; T587-F597 HydrophobicContact CG2-CE2 4.21Å; T587-F597 HydrophobicContact CG2-CG 4.13Å; T587-F597 HydrophobicContact CG2-CZ 3.93Å; A589-F597 HydrophobicContact CB-CD2 3.52Å; A589-F597 HydrophobicContact CB-CE2 3.93Å; A589-F597 HydrophobicContact CB-CG 4.39Å; A593-F597 HydrophobicContact CB-CD2 3.88Å; A593-F597 HydrophobicContact CB-CE2 3.8Å; A593-F597 WeakPolarHBondContact O-CD2 3.29Å; A593-F597 PolarHBondContact O-N 3.41Å; F597-K599 VanDerWaalsContact C-N 3.32Å; F597-K599 PolarHBondContact O-N 3.12Å; F597-Q600 CarbonylContact O-C 3.57Å; F597-Q600 WeakPolarHBondContact O-CA 3.48Å; F597-Q600 WeakPolarHBondContact O-CB 3.48Å; F597-Q600 PolarHBondContact O-N 2.99Å; F597-G601 PolarHBondContact O-N 3.35Å; F597-F602 HydrophobicContact CB-CB 3.9Å; F597-F602 HydrophobicContact CB-CD2 4.2Å; F597-F602 HydrophobicContact CB-CG 4.02Å; F597-F602 HydrophobicContact CD1-CD1 4.18Å; F597-F602 AromaticContact CD1-CD2 3.81Å; F597-F602 HydrophobicContact CD1-CD2 3.81Å; F597-F602 HydrophobicContact CD1-CE1 4.21Å; F597-F602 AromaticContact CD1-CE2 3.86Å; F597-F602 HydrophobicContact CD1-CE2 3.86Å; F597-F602 AromaticContact CD1-CG 3.99Å; F597-F602 HydrophobicContact CD1-CG 3.99Å; F597-F602 HydrophobicContact CD1-CZ 4.07Å; F597-F602 HydrophobicContact CE1-CE2 4.47Å; F597-F602 HydrophobicContact CE1-CZ 4.37Å; F597-F602 HydrophobicContact CG-CG 4.45Å; F597-F602 VanDerWaalsContact O-CB 3.32Å; F597-F602 WeakPolarHBondContact O-CB 3.39Å; F597-F602 WeakPolarHBondContact O-CD2 3.44Å; F597-F602 PolarHBondContact O-N 3.42Å; F597-M626 HydrophobicContact CB-CE 4.21Å; F597-M626 HydrophobicContact CB-SD 4.05Å
598R94.6Very high91.9Very high162 Ų16268.3 Ų68.361%0.61134%0.336SS*.Hα-helixtrans-57.8-42.7173.9-167.7-175.3-56174.14.2112.7T594 Y596 Q600 G601 F602 M626T594-R598 WeakPolarHBondContact O-CB 3.42Å; T594-R598 PolarHBondContact O-N 2.88Å; Y596-R598 VanDerWaalsContact C-N 3.3Å; Y596-R598 PolarHBondContact O-N 3.04Å; R598-Q600 PolarHBondContact O-N 3.29Å; R598-G601 PolarHBondContact O-N 2.87Å; R598-G601 VanDerWaalsContact O-N 3.17Å; R598-F602 WeakPolarHBondContact CA-O 3.29Å; R598-M626 HydrophobicContact CB-CE 4.4Å
599K91.5Very high91.7Very high139 Ų13968.9 Ų68.960%0.60435%0.351SS*.Hα-helixtrans-66.8-26.7175.9-70.3172.3-175.8176.60112.5G595 Y596 F597 G601G595-K599 WeakPolarHBondContact O-CG 3.31Å; G595-K599 PolarHBondContact O-N 3.26Å; Y596-K599 WeakPolarHBondContact O-CB 3.39Å; Y596-K599 PolarHBondContact O-N 3.29Å; F597-K599 VanDerWaalsContact C-N 3.32Å; F597-K599 PolarHBondContact O-N 3.12Å; K599-G601 VanDerWaalsContact C-N 3.25Å; K599-G601 PolarHBondContact O-N 3.39Å
600Q93.8Very high91.6Very high12 Ų1276.6 Ų76.66%0.05638%0.38CS..THydrogen-bonded Turntrans-83.46.2175.2-56.1-46.6-37.800113.7T567 M570 K574 Y596 F597 R598 F602T567-Q600 PolarHBondContact OG1-NE2 3.49Å; T567-Q600 VanDerWaalsContact OG1-NE2 3.12Å; M570-Q600 HydrophobicContact CB-CG 4.3Å; M570-Q600 HydrophobicContact CE-CG 4.47Å; M570-Q600 HydrophobicContact CG-CB 3.92Å; M570-Q600 HydrophobicContact CG-CG 3.93Å; K574-Q600 PolarHBondContact NZ-O 3.15Å; Y596-Q600 HydrophobicContact CD1-CG 4.49Å; Y596-Q600 HydrophobicContact CD2-CG 4.21Å; Y596-Q600 HydrophobicContact CE1-CG 4.11Å; Y596-Q600 HydrophobicContact CE2-CG 3.79Å; Y596-Q600 WeakPolarHBondContact O-CG 3.43Å; Y596-Q600 PolarHBondContact O-N 3.42Å; Y596-Q600 VanDerWaalsContact O-N 3.12Å; F597-Q600 CarbonylContact O-C 3.57Å; F597-Q600 WeakPolarHBondContact O-CA 3.48Å; F597-Q600 WeakPolarHBondContact O-CB 3.48Å; F597-Q600 PolarHBondContact O-N 2.99Å; R598-Q600 PolarHBondContact O-N 3.29Å; Q600-F602 HydrophobicContact CB-CD2 4.02Å; Q600-F602 HydrophobicContact CB-CE2 4.2Å
601G93.7Very high91.7Very high49 Ų4981.9 Ų81.951%0.50540%0.403SS..THydrogen-bonded Turntrans88.316.2178.700000114.6F597 R598 K599 C628F597-G601 PolarHBondContact O-N 3.35Å; R598-G601 PolarHBondContact O-N 2.87Å; R598-G601 VanDerWaalsContact O-N 3.17Å; K599-G601 VanDerWaalsContact C-N 3.25Å; K599-G601 PolarHBondContact O-N 3.39Å; G601-C628 PolarHBondContact O-SG 3.48Å
602F96.9Very high92Very high4 Ų479.4 Ų79.42%0.01839%0.387CS..  trans-85.2141.4170.9-68.3-111.3000110.8I551 M570 F585 T587 F597 R598 Q600 M626 G627 C628I551-F602 HydrophobicContact CD1-CE1 4.39Å; I551-F602 HydrophobicContact CD1-CZ 3.75Å; M570-F602 HydrophobicContact CE-CE2 4.04Å; M570-F602 HydrophobicContact CE-CZ 4.37Å; M570-F602 HydrophobicContact SD-CE2 4.03Å; M570-F602 HydrophobicContact SD-CZ 4.4Å; F585-F602 HydrophobicContact CB-CE1 3.58Å; F585-F602 HydrophobicContact CB-CZ 3.56Å; F585-F602 HydrophobicContact CD2-CZ 4.04Å; F585-F602 HydrophobicContact CG-CZ 4.15Å; T587-F602 HydrophobicContact CG2-CD1 3.87Å; T587-F602 HydrophobicContact CG2-CE1 3.84Å; F597-F602 HydrophobicContact CB-CB 3.9Å; F597-F602 HydrophobicContact CB-CD2 4.2Å; F597-F602 HydrophobicContact CB-CG 4.02Å; F597-F602 HydrophobicContact CD1-CD1 4.18Å; F597-F602 AromaticContact CD1-CD2 3.81Å; F597-F602 HydrophobicContact CD1-CD2 3.81Å; F597-F602 HydrophobicContact CD1-CE1 4.21Å; F597-F602 AromaticContact CD1-CE2 3.86Å; F597-F602 HydrophobicContact CD1-CE2 3.86Å; F597-F602 AromaticContact CD1-CG 3.99Å; F597-F602 HydrophobicContact CD1-CG 3.99Å; F597-F602 HydrophobicContact CD1-CZ 4.07Å; F597-F602 HydrophobicContact CE1-CE2 4.47Å; F597-F602 HydrophobicContact CE1-CZ 4.37Å; F597-F602 HydrophobicContact CG-CG 4.45Å; F597-F602 VanDerWaalsContact O-CB 3.32Å; F597-F602 WeakPolarHBondContact O-CB 3.39Å; F597-F602 WeakPolarHBondContact O-CD2 3.44Å; F597-F602 PolarHBondContact O-N 3.42Å; R598-F602 WeakPolarHBondContact CA-O 3.29Å; Q600-F602 HydrophobicContact CB-CD2 4.02Å; Q600-F602 HydrophobicContact CB-CE2 4.2Å; F602-M626 HydrophobicContact CB-CB 4.08Å; F602-M626 HydrophobicContact CB-CE 3.92Å; F602-M626 HydrophobicContact CD1-CB 4.3Å; F602-M626 WeakPolarHBondContact O-CE 3.24Å; F602-G627 CarbonylContact C-O 3.56Å; F602-G627 VanDerWaalsContact CA-O 3.25Å; F602-G627 WeakPolarHBondContact CA-O 3.46Å; F602-C628 HydrophobicContact CB-CB 4.37Å; F602-C628 HydrophobicContact CD1-CB 3.66Å; F602-C628 HydrophobicContact CD2-CB 3.63Å; F602-C628 HydrophobicContact CE1-CB 3.7Å; F602-C628 HydrophobicContact CE2-CB 3.65Å; F602-C628 HydrophobicContact CG-CB 3.62Å; F602-C628 HydrophobicContact CZ-CB 3.68Å
603S95.7Very high92.4Very high54 Ų5473.4 Ų73.438%0.37836%0.36SS..BIsolated β-bridgetrans-124.5160.4175.3-174.30000110.5E605 M626 G627S603-E605 PolarHBondContact OG-N 3Å; S603-E605 VanDerWaalsContact OG-N 3.11Å; S603-M626 CarbonylContact O-C 3.48Å; S603-M626 VanDerWaalsContact O-CA 3.24Å; S603-M626 WeakPolarHBondContact O-CA 3.42Å; S603-G627 PolarHBondContact N-O 2.9Å; S603-G627 PolarHBondContact O-N 3.49Å
604R93.1Very high92.4Very high161 Ų16176.5 Ų76.561%0.60837%0.373SS*.SBendtrans-72.5-22165.8-66.4-178.1176.1-171.3-8.2111.6I606 T624R604-I606 PolarHBondContact O-N 2.7Å; R604-T624 HydrophobicContact CG-CG2 3.87Å
605E92.4Very high92.4Very high150 Ų15079.2 Ų79.270%0.70140%0.404SS*.SBendtrans-82102.8174.9-171.4-178.9-172.900109.5S603S603-E605 PolarHBondContact OG-N 3Å; S603-E605 VanDerWaalsContact OG-N 3.11Å
606I92.1Very high92.5Very high39 Ų3982.4 Ų82.420%0.241%0.407CS..  trans-89114.6-177.4-56.5168000108.7L586 R604 L608 Y613 L625L586-I606 HydrophobicContact CD2-CD1 4.33Å; L586-I606 HydrophobicContact CD2-CG1 4.41Å; L586-I606 HydrophobicContact CD2-CG2 3.7Å; R604-I606 PolarHBondContact O-N 2.7Å; I606-L608 VanDerWaalsContact C-N 3.33Å; I606-L608 HydrophobicContact CG2-CB 4.06Å; I606-Y613 HydrophobicContact CG2-CE1 3.91Å; I606-L625 HydrophobicContact CD1-CD1 4.47Å; I606-L625 HydrophobicContact CD1-CD2 3.32Å; I606-L625 HydrophobicContact CD1-CG 3.52Å
607R90.6Very high92.5Very high166 Ų16680.4 Ų80.463%0.62640%0.4SS*.  trans-75.1-20.8178.9-68.4-179.3172.4-176.4-1.7114E629R607-E629 WeakPolarHBondContact CD-OE2 3.35Å; R607-E629 IonicContact CZ-OE2 3.92Å; R607-E629 IonicContact NE-OE2 2.77Å; R607-E629 IonicContact NH1-OE2 2.74Å; R607-E629 PolarHBondContact NH1-OE2 3.27Å
608L90.6Very high92.1Very high26 Ų2685.5 Ų85.514%0.13642%0.422CS..SBendtrans-72.9133.3175.8-175.364.2000110.2F548 H584 L586 I606 R610 A612 Y613F548-L608 HydrophobicContact CB-CD2 3.72Å; F548-L608 HydrophobicContact CD1-CD2 4.07Å; F548-L608 HydrophobicContact CG-CD2 4.08Å; H584-L608 HydrophobicContact CB-CD2 4.23Å; L586-L608 HydrophobicContact CD1-CD2 4.39Å; I606-L608 VanDerWaalsContact C-N 3.33Å; I606-L608 HydrophobicContact CG2-CB 4.06Å; L608-R610 PolarHBondContact O-N 3.15Å; L608-A612 HydrophobicContact CD1-CB 3.96Å; L608-A612 HydrophobicContact CD2-CB 4.15Å; L608-A612 HydrophobicContact CG-CB 3.91Å; L608-Y613 HydrophobicContact CD2-CD1 4.09Å; L608-Y613 HydrophobicContact CG-CD1 4.26Å
609A91.7Very high91.7Very high60 Ų6084.1 Ų84.150%0.49642%0.422SS..  trans-56.9135.4178.800000111.4Q611 A612A609-Q611 PolarHBondContact O-N 3.14Å; A609-Q611 VanDerWaalsContact O-N 3.13Å; A609-A612 VanDerWaalsContact O-CB 3.29Å; A609-A612 WeakPolarHBondContact O-CB 3.41Å; A609-A612 PolarHBondContact O-N 3.42Å
610R91.3Very high91.5Very high163 Ų16379.3 Ų79.362%0.61540%0.401SS*.Hα-helixtrans-54.7-37.6-174.6-172.1174.9179.3-177.8-0.3113L608 A612 Y613 L614L608-R610 PolarHBondContact O-N 3.15Å; R610-A612 PolarHBondContact O-N 2.9Å; R610-Y613 VanDerWaalsContact CA-CE1 3.48Å; R610-Y613 HydrophobicContact CB-CE1 4.4Å; R610-Y613 HydrophobicContact CG-CE2 4.44Å; R610-Y613 PolarHBondContact O-N 3.5Å; R610-L614 VanDerWaalsContact O-CB 3.29Å; R610-L614 WeakPolarHBondContact O-CB 3.27Å; R610-L614 PolarHBondContact O-N 3.29Å
611Q90.9Very high90.7Very high159 Ų15988.5 Ų88.574%0.74344%0.444SS*.Hα-helixtrans-62-24.3179.3-63.578.93.200113A609A609-Q611 PolarHBondContact O-N 3.14Å; A609-Q611 VanDerWaalsContact O-N 3.13Å
612A92Very high90Very high26 Ų2689.7 Ų89.722%0.21546%0.456CS..Hα-helixtrans-74.6-28.2-178.600000113Q546 L608 A609 R610Q546-A612 WeakPolarHBondContact CB-O 3.48Å; Q546-A612 VanDerWaalsContact CG-O 3.23Å; Q546-A612 WeakPolarHBondContact CG-O 3.43Å; L608-A612 HydrophobicContact CD1-CB 3.96Å; L608-A612 HydrophobicContact CD2-CB 4.15Å; L608-A612 HydrophobicContact CG-CB 3.91Å; A609-A612 VanDerWaalsContact O-CB 3.29Å; A609-A612 WeakPolarHBondContact O-CB 3.41Å; A609-A612 PolarHBondContact O-N 3.42Å; R610-A612 PolarHBondContact O-N 2.9Å
613Y93Very high89.6Confident26 Ų2690.7 Ų90.710%0.10247%0.465CS..Hα-helixtrans-119.8-15.1-174.866.1-98.8000114.7L586 I606 L608 R610 G615 Y616 I617 L625L586-Y613 HydrophobicContact CD1-CD1 3.8Å; L586-Y613 HydrophobicContact CD1-CD2 3.95Å; L586-Y613 HydrophobicContact CD1-CG 3.44Å; L586-Y613 VanDerWaalsContact CD1-CG 3.44Å; I606-Y613 HydrophobicContact CG2-CE1 3.91Å; L608-Y613 HydrophobicContact CD2-CD1 4.09Å; L608-Y613 HydrophobicContact CG-CD1 4.26Å; R610-Y613 VanDerWaalsContact CA-CE1 3.48Å; R610-Y613 HydrophobicContact CB-CE1 4.4Å; R610-Y613 HydrophobicContact CG-CE2 4.44Å; R610-Y613 PolarHBondContact O-N 3.5Å; Y613-G615 PolarHBondContact O-N 3.29Å; Y613-Y616 PolarHBondContact O-N 3.49Å; Y613-I617 HydrophobicContact CD2-CG2 4.22Å; Y613-L625 HydrophobicContact CE2-CD2 3.99Å
614L89.8Confident89.5Confident91 Ų9190 Ų9048%0.47646%0.459SS..THydrogen-bonded Turntrans-58.2125.6179.3-171.667.9000110.6R610 Y616R610-L614 VanDerWaalsContact O-CB 3.29Å; R610-L614 WeakPolarHBondContact O-CB 3.27Å; R610-L614 PolarHBondContact O-N 3.29Å; L614-Y616 VanDerWaalsContact C-N 3.29Å; L614-Y616 WeakPolarHBondContact O-CD2 3.46Å; L614-Y616 PolarHBondContact O-N 2.68Å
615G89.1Confident89.6Confident77 Ų7784 Ų8479%0.79444%0.438SS*.THydrogen-bonded Turntrans82.5-7.7-178.300000115.7Y613Y613-G615 PolarHBondContact O-N 3.29Å
616Y91.5Very high89.8Confident101 Ų10177 Ų7740%0.39641%0.406SS..THydrogen-bonded Turntrans-94.4-36.2176.9-70.4-91.4000112.9F543 Q546 Y613 L614F543-Y616 AromaticContact CD1-CD1 3.72Å; F543-Y616 HydrophobicContact CD1-CD1 3.72Å; F543-Y616 HydrophobicContact CD1-CG 4.42Å; F543-Y616 AromaticContact CE1-CD1 3.76Å; F543-Y616 HydrophobicContact CE1-CD1 3.76Å; F543-Y616 HydrophobicContact CE1-CG 4.38Å; F543-Y616 WeakPolarHBondContact CZ-O 3.49Å; Q546-Y616 HydrophobicContact CG-CD1 4.38Å; Q546-Y616 HydrophobicContact CG-CD2 4.34Å; Q546-Y616 HydrophobicContact CG-CE1 4.09Å; Q546-Y616 HydrophobicContact CG-CE2 4.06Å; Q546-Y616 HydrophobicContact CG-CG 4.5Å; Q546-Y616 VanDerWaalsContact NE2-CE1 3.28Å; Q546-Y616 PolarHBondContact NE2-OH 2.91Å; Y613-Y616 PolarHBondContact O-N 3.49Å; L614-Y616 VanDerWaalsContact C-N 3.29Å; L614-Y616 WeakPolarHBondContact O-CD2 3.46Å; L614-Y616 PolarHBondContact O-N 2.68Å
617I91.7Very high90Very high15 Ų1575.6 Ų75.68%0.07740%0.4CS..SBendtrans-89144.5-178-168.8166.4000111.5E550 L586 Y588 Y613 L625E550-I617 HydrophobicContact CB-CG1 4.48Å; E550-I617 HydrophobicContact CG-CD1 4.24Å; E550-I617 HydrophobicContact CG-CG1 3.89Å; E550-I617 VanDerWaalsContact OE1-CG1 3.29Å; E550-I617 WeakPolarHBondContact OE1-CG1 3.48Å; L586-I617 HydrophobicContact CB-CD1 3.59Å; L586-I617 HydrophobicContact CD1-CD1 4.42Å; Y588-I617 HydrophobicContact CD2-CD1 4.16Å; Y588-I617 HydrophobicContact CD2-CG1 4.3Å; Y588-I617 HydrophobicContact CE2-CD1 4.2Å; Y588-I617 HydrophobicContact CE2-CG1 4.23Å; Y588-I617 HydrophobicContact CE2-CG2 4.42Å; Y613-I617 HydrophobicContact CD2-CG2 4.22Å; I617-L625 HydrophobicContact CD1-CD1 3.77Å
618K88.9Confident90.3Very high116 Ų11668 Ų6850%0.50437%0.373SS..PPolyproline II helixtrans-79.7126.6175.6-175.764179.9175.60110.5E550 Y588 Y620E550-K618 PolarHBondContact OE1-N 2.94Å; Y588-K618 WeakPolarHBondContact CD2-O 3.34Å; Y588-K618 WeakPolarHBondContact CE2-O 3.19Å; K618-Y620 HydrophobicContact CB-CE2 3.93Å; K618-Y620 HydrophobicContact CG-CD2 4.44Å; K618-Y620 HydrophobicContact CG-CE1 4.27Å; K618-Y620 HydrophobicContact CG-CE2 3.92Å; K618-Y620 VanDerWaalsContact O-CD2 3.29Å; K618-Y620 WeakPolarHBondContact O-CD2 3.32Å; K618-Y620 WeakPolarHBondContact O-CE2 3.48Å
619E86.3Confident90.6Very high132 Ų13270.2 Ų70.262%0.61738%0.382SS*.PPolyproline II helixtrans-83.3135.7173-50.4-168.4175.900110.8Y588Y588-E619 HydrophobicContact CE2-CB 4.36Å; Y588-E619 HydrophobicContact CE2-CG 4.3Å; Y588-E619 WeakPolarHBondContact OH-CG 3.32Å
620Y85.7Confident90.7Very high38 Ų3867.5 Ų67.515%0.14936%0.36CS..  trans-121.3132.1177.9-62.5-91.3000110.3M504 Y508 Y588 K618 A623M504-Y620 HydrophobicContact CE-CD1 3.53Å; M504-Y620 HydrophobicContact CE-CE1 3.66Å; M504-Y620 HydrophobicContact CE-CG 4.32Å; M504-Y620 HydrophobicContact SD-CD1 4.16Å; M504-Y620 HydrophobicContact SD-CE1 4.03Å; Y508-Y620 AromaticContact CE1-CE1 3.98Å; Y508-Y620 HydrophobicContact CE1-CE1 3.98Å; Y508-Y620 WeakPolarHBondContact OH-CE1 3.46Å; Y508-Y620 PolarHBondContact OH-OH 2.85Å; Y588-Y620 HydrophobicContact CD2-CD2 4.07Å; Y588-Y620 AromaticContact CG-CD2 3.91Å; Y588-Y620 HydrophobicContact CG-CD2 3.91Å; K618-Y620 HydrophobicContact CB-CE2 3.93Å; K618-Y620 HydrophobicContact CG-CD2 4.44Å; K618-Y620 HydrophobicContact CG-CE1 4.27Å; K618-Y620 HydrophobicContact CG-CE2 3.92Å; K618-Y620 VanDerWaalsContact O-CD2 3.29Å; K618-Y620 WeakPolarHBondContact O-CD2 3.32Å; K618-Y620 WeakPolarHBondContact O-CE2 3.48Å; Y620-A623 PolarHBondContact O-N 2.78Å
621E77Confident90.9Very high205 Ų20565.7 Ų65.796%0.95835%0.354SS*.THydrogen-bonded Turntrans-67.2136.6177.8-165.5178.3179.600111.1A623E621-A623 PolarHBondContact O-N 3.44Å
622G80.4Confident90.9Very high75 Ų7561.9 Ų61.977%0.77334%0.343SS*.THydrogen-bonded Turntrans72.56.3-179.100000115.4
623A88.6Confident90.8Very high24 Ų2468.2 Ų68.220%0.19837%0.373CS..  trans-105150.3175.600000111.8Y588 Y620 E621Y588-A623 HydrophobicContact CD1-CB 3.93Å; Y588-A623 HydrophobicContact CG-CB 4.35Å; Y620-A623 PolarHBondContact O-N 2.78Å; E621-A623 PolarHBondContact O-N 3.44Å
624T92.5Very high90.7Very high40 Ų4068.7 Ų68.725%0.24538%0.377CS..EExtended strand (participates in β ladder)trans-97.7123.7177.2-58.10000109.7A589 R604 M626A589-T624 PolarHBondContact N-O 3.06Å; A589-T624 PolarHBondContact O-N 3.21Å; R604-T624 HydrophobicContact CG-CG2 3.87Å; T624-M626 HydrophobicContact CG2-CG 4.12Å; T624-M626 PolarHBondContact O-N 2.94Å
625L95.4Very high90.8Very high35 Ų3568.9 Ų68.918%0.18338%0.378CS..EExtended strand (participates in β ladder)trans-65.8126.1169.7-176.763.3000109.9T587 Y588 I606 Y613 I617T587-L625 WeakPolarHBondContact O-CA 3.21Å; Y588-L625 HydrophobicContact CD1-CB 4.28Å; Y588-L625 HydrophobicContact CD2-CD1 3.97Å; Y588-L625 HydrophobicContact CE1-CB 3.88Å; Y588-L625 HydrophobicContact CE2-CB 4.44Å; Y588-L625 HydrophobicContact CE2-CD1 3.72Å; I606-L625 HydrophobicContact CD1-CD1 4.47Å; I606-L625 HydrophobicContact CD1-CD2 3.32Å; I606-L625 HydrophobicContact CD1-CG 3.52Å; Y613-L625 HydrophobicContact CE2-CD2 3.99Å; I617-L625 HydrophobicContact CD1-CD1 3.77Å
626M96.3Very high91Very high4 Ų465.9 Ų65.92%0.0234%0.342CS..EExtended strand (participates in β ladder)trans-131.4143.8177.8-58.7-174.267.800110.3L586 T587 A589 T594 F597 R598 F602 S603 T624L586-M626 WeakPolarHBondContact CA-O 3.29Å; T587-M626 HydrophobicContact CG2-CB 4.31Å; T587-M626 PolarHBondContact N-O 3.34Å; T587-M626 PolarHBondContact O-N 3.48Å; A589-M626 HydrophobicContact CB-CG 4.4Å; A589-M626 HydrophobicContact CB-SD 3.85Å; T594-M626 HydrophobicContact CG2-SD 4.24Å; F597-M626 HydrophobicContact CB-CE 4.21Å; F597-M626 HydrophobicContact CB-SD 4.05Å; R598-M626 HydrophobicContact CB-CE 4.4Å; F602-M626 HydrophobicContact CB-CB 4.08Å; F602-M626 HydrophobicContact CB-CE 3.92Å; F602-M626 HydrophobicContact CD1-CB 4.3Å; F602-M626 WeakPolarHBondContact O-CE 3.24Å; S603-M626 CarbonylContact O-C 3.48Å; S603-M626 VanDerWaalsContact O-CA 3.24Å; S603-M626 WeakPolarHBondContact O-CA 3.42Å; T624-M626 HydrophobicContact CG2-CG 4.12Å; T624-M626 PolarHBondContact O-N 2.94Å
627G96.5Very high91Very high8 Ų862.3 Ų62.38%0.08233%0.331CS..EExtended strand (participates in β ladder)trans-123.5146.8178.500000113.2F585 F602 S603F585-G627 CarbonylContact O-C 3.36Å; F585-G627 WeakPolarHBondContact O-CA 3.47Å; F602-G627 CarbonylContact C-O 3.56Å; F602-G627 VanDerWaalsContact CA-O 3.25Å; F602-G627 WeakPolarHBondContact CA-O 3.46Å; S603-G627 PolarHBondContact N-O 2.9Å; S603-G627 PolarHBondContact O-N 3.49Å
628C97.3Very high90.9Very high8 Ų867.7 Ų67.75%0.05435%0.351CS..EExtended strand (participates in β ladder)trans-127.3131173.7-1760000109.7H584 F585 G601 F602H584-C628 CarbonylContact C-O 3.5Å; H584-C628 WeakPolarHBondContact CA-O 3.37Å; F585-C628 HydrophobicContact CB-CB 4.23Å; F585-C628 PolarHBondContact N-O 3.29Å; F585-C628 PolarHBondContact O-N 3.3Å; G601-C628 PolarHBondContact O-SG 3.48Å; F602-C628 HydrophobicContact CB-CB 4.37Å; F602-C628 HydrophobicContact CD1-CB 3.66Å; F602-C628 HydrophobicContact CD2-CB 3.63Å; F602-C628 HydrophobicContact CE1-CB 3.7Å; F602-C628 HydrophobicContact CE2-CB 3.65Å; F602-C628 HydrophobicContact CG-CB 3.62Å; F602-C628 HydrophobicContact CZ-CB 3.68Å
629E96.1Very high90.9Very high71 Ų7165.9 Ų65.933%0.33234%0.343SS..EExtended strand (participates in β ladder)trans-98.6130.6171.6-178.7178.6-153.600109.3F583 R607F583-E629 CarbonylContact O-C 3.54Å; F583-E629 WeakPolarHBondContact O-CA 3.47Å; R607-E629 WeakPolarHBondContact CD-OE2 3.35Å; R607-E629 IonicContact CZ-OE2 3.92Å; R607-E629 IonicContact NE-OE2 2.77Å; R607-E629 IonicContact NH1-OE2 2.74Å; R607-E629 PolarHBondContact NH1-OE2 3.27Å
630L95.5Very high90.7Very high4 Ų460.8 Ų60.82%0.02132%0.322CS..PPolyproline II helixtrans-96.6138.7-179.3-52.6-174.4000110.5K574 H577 L578 F583 F585 Y636K574-L630 HydrophobicContact CB-CD1 4.41Å; K574-L630 HydrophobicContact CB-CD2 4.37Å; K574-L630 HydrophobicContact CD-CD2 4Å; K574-L630 HydrophobicContact CG-CD1 4.38Å; K574-L630 HydrophobicContact CG-CD2 3.68Å; H577-L630 HydrophobicContact CB-CD1 4.21Å; L578-L630 HydrophobicContact CD2-CB 3.89Å; L578-L630 HydrophobicContact CD2-CD1 4.36Å; F583-L630 PolarHBondContact O-N 3.47Å; F585-L630 HydrophobicContact CD2-CD1 4.21Å; F585-L630 HydrophobicContact CD2-CD2 3.99Å; F585-L630 HydrophobicContact CD2-CG 4.38Å; F585-L630 HydrophobicContact CE2-CD1 3.72Å; F585-L630 HydrophobicContact CE2-CD2 4Å; F585-L630 HydrophobicContact CE2-CG 4.31Å; F585-L630 HydrophobicContact CZ-CD1 4.03Å; L630-Y636 WeakPolarHBondContact CA-OH 3.4Å; L630-Y636 HydrophobicContact CB-CE2 4.47Å; L630-Y636 HydrophobicContact CD2-CE2 4.48Å
631Y93.8Very high90.7Very high124 Ų12462.4 Ų62.449%0.48633%0.331SS..PPolyproline II helixtrans-92.1120.1176.9-69.3-81.1000109.8N633 I634 Y636Y631-N633 PolarHBondContact O-N 2.88Å; Y631-I634 HydrophobicContact CD2-CD1 4.08Å; Y631-I634 HydrophobicContact CG-CD1 4.07Å; Y631-I634 PolarHBondContact O-N 2.92Å; Y631-Y636 PolarHBondContact N-OH 3.34Å
632P91.3Very high91.1Very high80 Ų8055.2 Ų55.252%0.51930%0.298SS..THydrogen-bonded Turntrans-57.9-26.8-172.7-25.832000115.6F583F583-P632 HydrophobicContact CD1-CG 3.97Å; F583-P632 HydrophobicContact CE1-CB 3.96Å; F583-P632 HydrophobicContact CE1-CG 3.66Å; F583-P632 HydrophobicContact CZ-CG 4.31Å
633N90.4Very high91.4Very high158 Ų15855.1 Ų55.185%0.84528%0.279SS*.THydrogen-bonded Turntrans-98.25-172.2-60.6-26.5000113.5Y631Y631-N633 PolarHBondContact O-N 2.88Å
634I90.4Very high91.1Very high37 Ų3756.8 Ų56.819%0.1929%0.293CS..  trans-100.7127.9-179.3-61.4-174000109.6L578 Y631 Y636 F639L578-I634 VanDerWaalsContact CD1-O 3.24Å; L578-I634 WeakPolarHBondContact CD1-O 3.33Å; Y631-I634 HydrophobicContact CD2-CD1 4.08Å; Y631-I634 HydrophobicContact CG-CD1 4.07Å; Y631-I634 PolarHBondContact O-N 2.92Å; I634-Y636 HydrophobicContact CB-CD2 4.45Å; I634-Y636 HydrophobicContact CB-CE2 4.13Å; I634-Y636 HydrophobicContact CG2-CD1 4.1Å; I634-Y636 HydrophobicContact CG2-CD2 4.17Å; I634-Y636 HydrophobicContact CG2-CE1 4.13Å; I634-Y636 HydrophobicContact CG2-CE2 4.21Å; I634-Y636 HydrophobicContact CG2-CG 4.14Å; I634-Y636 PolarHBondContact O-N 3.04Å; I634-F639 HydrophobicContact CD1-CE2 4.44Å; I634-F639 HydrophobicContact CG2-CD2 3.77Å; I634-F639 HydrophobicContact CG2-CE2 4.31Å
635I91.8Very high90.7Very high95 Ų9560.5 Ų60.549%0.48731%0.306SS..  trans-89.699.5166.7-56173.2000107.4T637 R638 F639I635-T637 VanDerWaalsContact C-N 3.35Å; I635-T637 WeakPolarHBondContact CG2-OG1 3.46Å; I635-T637 PolarHBondContact O-N 3.46Å; I635-R638 HydrophobicContact CG2-CB 4.23Å; I635-R638 HydrophobicContact CG2-CG 4.09Å; I635-R638 CarbonylContact O-C 3.53Å; I635-R638 PolarHBondContact O-N 2.97Å; I635-R638 VanDerWaalsContact O-N 3.08Å; I635-F639 PolarHBondContact O-N 3.01Å
636Y93.3Very high90.3Very high13 Ų1363.6 Ų63.65%0.05132%0.32CS..G310 helixtrans-67.2-33.7-171.5-74.1-86000112.7N571 K574 D575 L578 L630 Y631 I634 R638 F639N571-Y636 VanDerWaalsContact CG-O 3.25Å; N571-Y636 PolarHBondContact ND2-O 3.15Å; K574-Y636 HydrophobicContact CB-CD1 4.4Å; K574-Y636 HydrophobicContact CB-CD2 3.54Å; K574-Y636 HydrophobicContact CB-CE2 4.06Å; K574-Y636 HydrophobicContact CB-CG 3.71Å; K574-Y636 HydrophobicContact CD-CD1 3.39Å; K574-Y636 HydrophobicContact CD-CD2 4.02Å; K574-Y636 HydrophobicContact CD-CE1 3.65Å; K574-Y636 HydrophobicContact CD-CE2 4.23Å; K574-Y636 HydrophobicContact CD-CG 3.58Å; K574-Y636 HydrophobicContact CG-CD2 4.34Å; K574-Y636 HydrophobicContact CG-CG 4.28Å; D575-Y636 WeakPolarHBondContact OD1-CB 3.38Å; D575-Y636 PolarHBondContact OD1-N 3.23Å; D575-Y636 PolarHBondContact OD2-N 2.98Å; L578-Y636 HydrophobicContact CD1-CD2 4.02Å; L578-Y636 HydrophobicContact CD1-CE2 3.93Å; L630-Y636 WeakPolarHBondContact CA-OH 3.4Å; L630-Y636 HydrophobicContact CB-CE2 4.47Å; L630-Y636 HydrophobicContact CD2-CE2 4.48Å; Y631-Y636 PolarHBondContact N-OH 3.34Å; I634-Y636 HydrophobicContact CB-CD2 4.45Å; I634-Y636 HydrophobicContact CB-CE2 4.13Å; I634-Y636 HydrophobicContact CG2-CD1 4.1Å; I634-Y636 HydrophobicContact CG2-CD2 4.17Å; I634-Y636 HydrophobicContact CG2-CE1 4.13Å; I634-Y636 HydrophobicContact CG2-CE2 4.21Å; I634-Y636 HydrophobicContact CG2-CG 4.14Å; I634-Y636 PolarHBondContact O-N 3.04Å; Y636-R638 PolarHBondContact O-N 2.79Å; Y636-R638 VanDerWaalsContact O-N 3.11Å; Y636-F639 WeakPolarHBondContact O-CB 3.37Å; Y636-F639 PolarHBondContact O-N 3.32Å
637T92Very high89.9Confident27 Ų2770 Ų7017%0.16635%0.347CS..G310 helixtrans-60.9-18.617349.50000113.4R461 N571 D575 I635R461-T637 WeakPolarHBondContact CD-O 3.49Å; N571-T637 HydrophobicContact CB-CG2 4.29Å; D575-T637 VanDerWaalsContact OD2-CB 3.28Å; D575-T637 WeakPolarHBondContact OD2-CB 3.25Å; D575-T637 WeakPolarHBondContact OD2-CG2 3.43Å; D575-T637 PolarHBondContact OD2-N 2.8Å; D575-T637 PolarHBondContact OD2-OG1 3.12Å; I635-T637 VanDerWaalsContact C-N 3.35Å; I635-T637 WeakPolarHBondContact CG2-OG1 3.46Å; I635-T637 PolarHBondContact O-N 3.46Å
638R88.9Confident89.3Confident128 Ų12874.1 Ų74.148%0.48336%0.364SS..G310 helixtrans-11617.1176.3-57.5-173.569.6174.15.8112.8I635 Y636 S640 E641 L642I635-R638 HydrophobicContact CG2-CB 4.23Å; I635-R638 HydrophobicContact CG2-CG 4.09Å; I635-R638 CarbonylContact O-C 3.53Å; I635-R638 PolarHBondContact O-N 2.97Å; I635-R638 VanDerWaalsContact O-N 3.08Å; Y636-R638 PolarHBondContact O-N 2.79Å; Y636-R638 VanDerWaalsContact O-N 3.11Å; R638-S640 VanDerWaalsContact C-N 3.34Å; R638-S640 PolarHBondContact O-N 2.98Å; R638-E641 IonicContact CZ-OE2 3.24Å; R638-E641 IonicContact NE-OE2 2.7Å; R638-E641 PolarHBondContact NE-OE2 3.42Å; R638-E641 IonicContact NH2-OE2 2.96Å; R638-E641 PolarHBondContact NH2-OE2 3.43Å; R638-E641 WeakPolarHBondContact O-CB 3.43Å; R638-E641 PolarHBondContact O-N 2.87Å; R638-E641 VanDerWaalsContact O-N 3.11Å; R638-L642 PolarHBondContact O-N 3.37Å
639F88.6Confident88.8Confident78 Ų7874.7 Ų74.734%0.34237%0.368SS..Hα-helixtrans-55.2-46.9-172.8-174.7-106.7000112.7I634 I635 Y636 E641 L642 I643I634-F639 HydrophobicContact CD1-CE2 4.44Å; I634-F639 HydrophobicContact CG2-CD2 3.77Å; I634-F639 HydrophobicContact CG2-CE2 4.31Å; I635-F639 PolarHBondContact O-N 3.01Å; Y636-F639 WeakPolarHBondContact O-CB 3.37Å; Y636-F639 PolarHBondContact O-N 3.32Å; F639-E641 VanDerWaalsContact C-N 3.35Å; F639-E641 PolarHBondContact O-N 3.26Å; F639-L642 WeakPolarHBondContact O-CB 3.49Å; F639-L642 PolarHBondContact O-N 3.31Å; F639-L642 VanDerWaalsContact O-N 3.17Å; F639-I643 HydrophobicContact CD1-CG1 4.22Å; F639-I643 HydrophobicContact CD2-CG1 4.45Å; F639-I643 HydrophobicContact CE1-CD1 4.46Å; F639-I643 HydrophobicContact CE1-CG1 3.85Å; F639-I643 HydrophobicContact CE2-CD1 4.11Å; F639-I643 HydrophobicContact CE2-CG1 4.11Å; F639-I643 HydrophobicContact CZ-CD1 3.91Å; F639-I643 HydrophobicContact CZ-CG1 3.8Å; F639-I643 WeakPolarHBondContact O-CG1 3.36Å; F639-I643 PolarHBondContact O-N 3.48Å
640S83.4Confident88.4Confident25 Ų2575.9 Ų75.918%0.17538%0.375CS..Hα-helixtrans-64-36.5180-60.10000113.1D457 R638 A644D457-S640 PolarHBondContact OD1-OG 3.15Å; D457-S640 VanDerWaalsContact OD1-OG 3.13Å; D457-S640 VanDerWaalsContact OD2-CB 3.23Å; D457-S640 WeakPolarHBondContact OD2-CB 3.42Å; D457-S640 PolarHBondContact OD2-OG 2.77Å; R638-S640 VanDerWaalsContact C-N 3.34Å; R638-S640 PolarHBondContact O-N 2.98Å; S640-A644 VanDerWaalsContact O-CB 3.3Å; S640-A644 WeakPolarHBondContact O-CB 3.18Å; S640-A644 PolarHBondContact O-N 2.86Å
641E85Confident88Confident71 Ų7178.5 Ų78.533%0.33239%0.391SS..Hα-helixtrans-67-41.6173.4-73171.1-156.100111.4R461 R638 F639 A644 K645R461-E641 IonicContact CZ-OE1 3.73Å; R461-E641 IonicContact NH1-OE1 3.75Å; R461-E641 PolarHBondContact NH1-OE1 2.72Å; R638-E641 IonicContact CZ-OE2 3.24Å; R638-E641 IonicContact NE-OE2 2.7Å; R638-E641 PolarHBondContact NE-OE2 3.42Å; R638-E641 IonicContact NH2-OE2 2.96Å; R638-E641 PolarHBondContact NH2-OE2 3.43Å; R638-E641 WeakPolarHBondContact O-CB 3.43Å; R638-E641 PolarHBondContact O-N 2.87Å; R638-E641 VanDerWaalsContact O-N 3.11Å; F639-E641 VanDerWaalsContact C-N 3.35Å; F639-E641 PolarHBondContact O-N 3.26Å; E641-A644 PolarHBondContact O-N 3.12Å; E641-K645 WeakPolarHBondContact O-CB 3.3Å; E641-K645 WeakPolarHBondContact O-CG 3.37Å; E641-K645 PolarHBondContact O-N 3.34Å
642L85.5Confident87.5Confident54 Ų5476.7 Ų76.728%0.28338%0.384SS..Hα-helixtrans-63.2-46.8179.6-173.9149.2000111.1R638 F639 K645 Q646R638-L642 PolarHBondContact O-N 3.37Å; F639-L642 WeakPolarHBondContact O-CB 3.49Å; F639-L642 PolarHBondContact O-N 3.31Å; F639-L642 VanDerWaalsContact O-N 3.17Å; L642-K645 PolarHBondContact O-N 3.24Å; L642-Q646 HydrophobicContact CD2-CG 4.3Å; L642-Q646 WeakPolarHBondContact O-CG 3.32Å; L642-Q646 PolarHBondContact O-N 2.92Å
643I86.7Confident87.2Confident73 Ų7373.6 Ų73.637%0.37436%0.363SS..Hα-helixtrans-64.7-40.5176.3-63.8-60.4000111.4F639 Q646 K647F639-I643 HydrophobicContact CD1-CG1 4.22Å; F639-I643 HydrophobicContact CD2-CG1 4.45Å; F639-I643 HydrophobicContact CE1-CD1 4.46Å; F639-I643 HydrophobicContact CE1-CG1 3.85Å; F639-I643 HydrophobicContact CE2-CD1 4.11Å; F639-I643 HydrophobicContact CE2-CG1 4.11Å; F639-I643 HydrophobicContact CZ-CD1 3.91Å; F639-I643 HydrophobicContact CZ-CG1 3.8Å; F639-I643 WeakPolarHBondContact O-CG1 3.36Å; F639-I643 PolarHBondContact O-N 3.48Å; I643-Q646 PolarHBondContact O-N 3.4Å; I643-K647 WeakPolarHBondContact O-CB 3.42Å; I643-K647 PolarHBondContact O-N 3.33Å
644A81.9Confident86.9Confident59 Ų5971 Ų7149%0.48835%0.348SS..Hα-helixtrans-61.9-44.3176.300000111.8S640 E641 K647 Q648S640-A644 VanDerWaalsContact O-CB 3.3Å; S640-A644 WeakPolarHBondContact O-CB 3.18Å; S640-A644 PolarHBondContact O-N 2.86Å; E641-A644 PolarHBondContact O-N 3.12Å; A644-K647 PolarHBondContact O-N 3.45Å; A644-Q648 PolarHBondContact O-N 3.1Å
645K84.7Confident86.6Confident118 Ų11872 Ų7251%0.51335%0.352SS..Hα-helixtrans-63.4-45.6175.2-74.7-176.6179-168.10112.2E641 L642 K647 Q648 V649E641-K645 WeakPolarHBondContact O-CB 3.3Å; E641-K645 WeakPolarHBondContact O-CG 3.37Å; E641-K645 PolarHBondContact O-N 3.34Å; L642-K645 PolarHBondContact O-N 3.24Å; K645-K647 VanDerWaalsContact C-N 3.32Å; K645-K647 PolarHBondContact O-N 3.49Å; K645-Q648 WeakPolarHBondContact O-CB 3.41Å; K645-Q648 PolarHBondContact O-N 3.37Å; K645-V649 WeakPolarHBondContact O-CG2 3.37Å; K645-V649 PolarHBondContact O-N 2.83Å
646Q87.3Confident86Confident101 Ų10170.2 Ų70.247%0.47234%0.34SS..Hα-helixtrans-58.5-44.4175.5-76.5179.3-19.300111.7L642 I643 Q648 V649 I650L642-Q646 HydrophobicContact CD2-CG 4.3Å; L642-Q646 WeakPolarHBondContact O-CG 3.32Å; L642-Q646 PolarHBondContact O-N 2.92Å; I643-Q646 PolarHBondContact O-N 3.4Å; Q646-Q648 VanDerWaalsContact C-N 3.32Å; Q646-Q648 PolarHBondContact O-N 3.05Å; Q646-V649 PolarHBondContact O-N 3.28Å; Q646-I650 VanDerWaalsContact O-CG1 3.32Å; Q646-I650 WeakPolarHBondContact O-CG1 3.31Å; Q646-I650 PolarHBondContact O-N 3.09Å
647K87.6Confident85.3Confident138 Ų13874.3 Ų74.360%0.636%0.356SS*.Hα-helixtrans-60.4-43.1176.1-173.7179.6179.1-175.60111.5I643 A644 K645 I650 T651I643-K647 WeakPolarHBondContact O-CB 3.42Å; I643-K647 PolarHBondContact O-N 3.33Å; A644-K647 PolarHBondContact O-N 3.45Å; K645-K647 VanDerWaalsContact C-N 3.32Å; K645-K647 PolarHBondContact O-N 3.49Å; K647-I650 PolarHBondContact O-N 2.74Å; K647-T651 WeakPolarHBondContact O-CB 3.34Å; K647-T651 PolarHBondContact O-N 3.34Å; K647-T651 PolarHBondContact O-OG1 3.47Å
648Q84.6Confident84.5Confident94 Ų9479.5 Ų79.544%0.43937%0.372SS..Hα-helixtrans-62.1-44.2177.2-168.9179.47.300112M433 A644 K645 Q646 T651 R652M433-Q648 HydrophobicContact CE-CB 4.24Å; M433-Q648 VanDerWaalsContact CE-CD 3.41Å; M433-Q648 HydrophobicContact CE-CG 3.83Å; M433-Q648 HydrophobicContact SD-CG 4.47Å; A644-Q648 PolarHBondContact O-N 3.1Å; K645-Q648 WeakPolarHBondContact O-CB 3.41Å; K645-Q648 PolarHBondContact O-N 3.37Å; Q646-Q648 VanDerWaalsContact C-N 3.32Å; Q646-Q648 PolarHBondContact O-N 3.05Å; Q648-T651 PolarHBondContact O-N 3.41Å; Q648-R652 WeakPolarHBondContact O-CG 3.29Å; Q648-R652 PolarHBondContact O-N 3.11Å
649V86Confident83.8Confident20 Ų2080.1 Ų80.112%0.12138%0.381CS..Hα-helixtrans-60.8-46.4175.4171.80000111L426 L430 M433 K645 Q646 T651 R652 L653L426-V649 HydrophobicContact CD1-CG1 3.54Å; L430-V649 HydrophobicContact CD2-CG2 4.03Å; M433-V649 HydrophobicContact CE-CG2 4.3Å; M433-V649 HydrophobicContact SD-CG2 3.85Å; K645-V649 WeakPolarHBondContact O-CG2 3.37Å; K645-V649 PolarHBondContact O-N 2.83Å; Q646-V649 PolarHBondContact O-N 3.28Å; V649-T651 PolarHBondContact O-N 2.93Å; V649-R652 PolarHBondContact O-N 2.93Å; V649-L653 HydrophobicContact CG1-CD1 4.03Å; V649-L653 WeakPolarHBondContact O-CG 3.48Å; V649-L653 PolarHBondContact O-N 3.23Å
650I87.1Confident82.7Confident97 Ų9781.2 Ų81.250%0.49740%0.398SS..Hα-helixtrans-62.7-42.6177.8-68.5167.1000111Q646 K647 R652 L653 I654Q646-I650 VanDerWaalsContact O-CG1 3.32Å; Q646-I650 WeakPolarHBondContact O-CG1 3.31Å; Q646-I650 PolarHBondContact O-N 3.09Å; K647-I650 PolarHBondContact O-N 2.74Å; I650-R652 VanDerWaalsContact C-N 3.34Å; I650-R652 PolarHBondContact O-N 3.4Å; I650-L653 PolarHBondContact O-N 2.93Å; I650-I654 HydrophobicContact CG2-CD1 3.76Å; I650-I654 HydrophobicContact CG2-CG1 4.4Å; I650-I654 VanDerWaalsContact O-CG1 3.25Å; I650-I654 WeakPolarHBondContact O-CG1 3.48Å; I650-I654 PolarHBondContact O-N 3.41Å
651T87.6Confident81.9Confident58 Ų5883.1 Ų83.136%0.35642%0.416SS..Hα-helixtrans-60.6-44.3176.4-63.10000111.2K647 Q648 V649 I654 E655K647-T651 WeakPolarHBondContact O-CB 3.34Å; K647-T651 PolarHBondContact O-N 3.34Å; K647-T651 PolarHBondContact O-OG1 3.47Å; Q648-T651 PolarHBondContact O-N 3.41Å; V649-T651 PolarHBondContact O-N 2.93Å; T651-I654 PolarHBondContact O-N 3.47Å; T651-E655 WeakPolarHBondContact O-CG 3.3Å; T651-E655 PolarHBondContact O-N 3.43Å
652R84.3Confident80.7Confident86 Ų8685.7 Ų85.733%0.32543%0.431SS..Hα-helixtrans-64.6-40176.5-72.7-70.7178.2121.5-1.7113.1I429 Q648 V649 I650 I654 E655 K656I429-R652 HydrophobicContact CD1-CB 4.46Å; I429-R652 HydrophobicContact CG2-CB 3.79Å; I429-R652 HydrophobicContact CG2-CG 4.44Å; Q648-R652 WeakPolarHBondContact O-CG 3.29Å; Q648-R652 PolarHBondContact O-N 3.11Å; V649-R652 PolarHBondContact O-N 2.93Å; I650-R652 VanDerWaalsContact C-N 3.34Å; I650-R652 PolarHBondContact O-N 3.4Å; R652-I654 VanDerWaalsContact C-N 3.34Å; R652-I654 PolarHBondContact O-N 3.1Å; R652-E655 WeakPolarHBondContact CD-OE2 3.35Å; R652-E655 IonicContact NE-OE2 2.68Å; R652-E655 PolarHBondContact O-N 2.6Å; R652-K656 WeakPolarHBondContact O-CB 3.36Å; R652-K656 PolarHBondContact O-N 2.75Å
653L84.9Confident79.6Confident15 Ų1588.1 Ų88.18%0.07944%0.441CS..Hα-helixtrans-61.2-42.7172.8-77.2166.2000111.5V421 E425 I429 V649 I650 R657V421-L653 HydrophobicContact CG1-CD1 3.84Å; V421-L653 HydrophobicContact CG1-CD2 3.94Å; V421-L653 HydrophobicContact CG2-CD1 4.04Å; E425-L653 HydrophobicContact CG-CD2 3.96Å; I429-L653 HydrophobicContact CD1-CB 4.35Å; I429-L653 HydrophobicContact CD1-CD2 3.3Å; I429-L653 HydrophobicContact CD1-CG 3.56Å; V649-L653 HydrophobicContact CG1-CD1 4.03Å; V649-L653 WeakPolarHBondContact O-CG 3.48Å; V649-L653 PolarHBondContact O-N 3.23Å; I650-L653 PolarHBondContact O-N 2.93Å; L653-R657 WeakPolarHBondContact O-CB 3.46Å; L653-R657 WeakPolarHBondContact O-CG 3.5Å; L653-R657 PolarHBondContact O-N 3.47Å
654I83.8Confident78.8Confident104 Ų10490 Ų9053%0.53346%0.461SS..Hα-helixtrans-64.5-41.1176.4-68.9166.2000110.8I650 T651 R652 R658I650-I654 HydrophobicContact CG2-CD1 3.76Å; I650-I654 HydrophobicContact CG2-CG1 4.4Å; I650-I654 VanDerWaalsContact O-CG1 3.25Å; I650-I654 WeakPolarHBondContact O-CG1 3.48Å; I650-I654 PolarHBondContact O-N 3.41Å; T651-I654 PolarHBondContact O-N 3.47Å; R652-I654 VanDerWaalsContact C-N 3.34Å; R652-I654 PolarHBondContact O-N 3.1Å; I654-R658 WeakPolarHBondContact O-CB 3.34Å; I654-R658 PolarHBondContact O-N 3.37Å
655E83.4Confident78.3Confident59 Ų5991 Ų9128%0.27645%0.453SS..Hα-helixtrans-63.3-50.7177-74.3168.3175.100111.4T651 R652 R657 R658 E659T651-E655 WeakPolarHBondContact O-CG 3.3Å; T651-E655 PolarHBondContact O-N 3.43Å; R652-E655 WeakPolarHBondContact CD-OE2 3.35Å; R652-E655 IonicContact NE-OE2 2.68Å; R652-E655 PolarHBondContact O-N 2.6Å; E655-R657 PolarHBondContact O-N 2.69Å; E655-R658 CarbonylContact O-C 3.46Å; E655-R658 WeakPolarHBondContact O-CA 3.13Å; E655-R658 WeakPolarHBondContact O-CB 3.42Å; E655-R658 PolarHBondContact O-N 3.37Å; E655-E659 WeakPolarHBondContact O-CG 3.33Å; E655-E659 PolarHBondContact O-N 2.93Å
656K79.5Confident77.9Confident56 Ų5690.6 Ų90.624%0.24346%0.463CS..Hα-helixtrans-60.5-43.3178.3-169.8172.1-179.3170.60112.3E425 I429 R652 R658 E659 S660E425-K656 HydrophobicContact CG-CD 4.26Å; I429-K656 HydrophobicContact CD1-CD 4.37Å; I429-K656 HydrophobicContact CG1-CD 4.5Å; R652-K656 WeakPolarHBondContact O-CB 3.36Å; R652-K656 PolarHBondContact O-N 2.75Å; K656-R658 VanDerWaalsContact C-N 3.3Å; K656-R658 PolarHBondContact O-N 2.89Å; K656-E659 PolarHBondContact O-N 3.37Å; K656-S660 PolarHBondContact O-N 3.3Å; K656-S660 PolarHBondContact O-OG 2.88Å
657R77.9Confident77.5Confident100 Ų10089.1 Ų89.138%0.37748%0.475SS..Hα-helixtrans-65.3-33.4174.5-73.5-176.4-177-171.60.6112.6E425 L653 E655 S660 A661E425-R657 IonicContact OE2-NH2 3.03Å; L653-R657 WeakPolarHBondContact O-CB 3.46Å; L653-R657 WeakPolarHBondContact O-CG 3.5Å; L653-R657 PolarHBondContact O-N 3.47Å; E655-R657 PolarHBondContact O-N 2.69Å; R657-S660 WeakPolarHBondContact CA-OG 3.35Å; R657-S660 PolarHBondContact O-OG 3.35Å; R657-A661 WeakPolarHBondContact O-CB 3.21Å; R657-A661 PolarHBondContact O-N 2.92Å
658R76.5Confident77.3Confident135 Ų13585.4 Ų85.451%0.50946%0.46SS..Hα-helixtrans-71.8-35175.6-172.4179.1-177.3177.90.1111.7I654 E655 K656 A661 N662I654-R658 WeakPolarHBondContact O-CB 3.34Å; I654-R658 PolarHBondContact O-N 3.37Å; E655-R658 CarbonylContact O-C 3.46Å; E655-R658 WeakPolarHBondContact O-CA 3.13Å; E655-R658 WeakPolarHBondContact O-CB 3.42Å; E655-R658 PolarHBondContact O-N 3.37Å; K656-R658 VanDerWaalsContact C-N 3.3Å; K656-R658 PolarHBondContact O-N 2.89Å; R658-A661 CarbonylContact O-C 3.52Å; R658-N662 WeakPolarHBondContact O-CA 3.34Å; R658-N662 WeakPolarHBondContact O-CB 2.97Å; R658-N662 PolarHBondContact O-N 3.32Å; R658-N662 VanDerWaalsContact O-N 3.12Å
659E73.2Confident77.2Confident141 Ų14183.9 Ų83.966%0.65946%0.459SS*.Hα-helixtrans-70.1-40.3174.3-72.6172.8-175.800112.2E655 K656 A661 N662E655-E659 WeakPolarHBondContact O-CG 3.33Å; E655-E659 PolarHBondContact O-N 2.93Å; K656-E659 PolarHBondContact O-N 3.37Å; E659-A661 VanDerWaalsContact C-N 3.35Å; E659-N662 VanDerWaalsContact O-CB 3.27Å; E659-N662 WeakPolarHBondContact O-CB 3.49Å; E659-N662 PolarHBondContact O-N 2.85Å
660S65.5Low76.8Confident101 Ų10187 Ų8771%0.70649%0.487SS*.Hα-helixtrans-69.9-32.4174610000112.7K656 R657 N662K656-S660 PolarHBondContact O-N 3.3Å; K656-S660 PolarHBondContact O-OG 2.88Å; R657-S660 WeakPolarHBondContact CA-OG 3.35Å; R657-S660 PolarHBondContact O-OG 3.35Å; S660-N662 VanDerWaalsContact C-N 3.32Å
661A65.7Low76.5Confident66 Ų6689.4 Ų89.455%0.54549%0.493SS..THydrogen-bonded Turntrans-91.815177.300000113.2R657 R658 E659 Q663R657-A661 WeakPolarHBondContact O-CB 3.21Å; R657-A661 PolarHBondContact O-N 2.92Å; R658-A661 CarbonylContact O-C 3.52Å; E659-A661 VanDerWaalsContact C-N 3.35Å; A661-Q663 PolarHBondContact O-N 2.71Å
662N59.9Low76.1Confident124 Ų12490.8 Ų90.866%0.66350%0.498SS*.  trans-75.651-173.6-136.812.3000111.7R658 E659 S660 S664R658-N662 WeakPolarHBondContact O-CA 3.34Å; R658-N662 WeakPolarHBondContact O-CB 2.97Å; R658-N662 PolarHBondContact O-N 3.32Å; R658-N662 VanDerWaalsContact O-N 3.12Å; E659-N662 VanDerWaalsContact O-CB 3.27Å; E659-N662 WeakPolarHBondContact O-CB 3.49Å; E659-N662 PolarHBondContact O-N 2.85Å; S660-N662 VanDerWaalsContact C-N 3.32Å; N662-S664 PolarHBondContact O-N 3.23Å
663Q62.7Low75.9Confident105 Ų10591.3 Ų91.349%0.49150%0.503SS..  trans-79.597.6157.9-86.2155.7-55.900107.8A661 Y665 E688A661-Q663 PolarHBondContact O-N 2.71Å; Q663-Y665 HydrophobicContact CB-CD2 4.45Å; Q663-Y665 HydrophobicContact CB-CE1 4.22Å; Q663-Y665 HydrophobicContact CB-CE2 3.82Å; Q663-Y665 WeakPolarHBondContact O-CD2 3.46Å; Q663-Y665 PolarHBondContact O-N 3.18Å; Q663-Y665 PolarHBondContact OE1-OH 2.82Å; Q663-E688 PolarHBondContact NE2-OE2 3.04Å; Q663-E688 PolarHBondContact OE1-OE2 3.19Å; Q663-E688 VanDerWaalsContact OE1-OE2 3.06Å
664S69.6Low75.5Confident114 Ų114100.6 Ų100.680%0.79754%0.537SS*.  trans-74.9102.7159.2179.80000107.8N662N662-S664 PolarHBondContact O-N 3.23Å
665Y73Confident75.1Confident78 Ų78103.5 Ų103.531%0.30655%0.554SS.*PPolyproline II helixtrans-69.4140.1171.5-57.5-84.3000109.9Q663 P684 G685 E688Q663-Y665 HydrophobicContact CB-CD2 4.45Å; Q663-Y665 HydrophobicContact CB-CE1 4.22Å; Q663-Y665 HydrophobicContact CB-CE2 3.82Å; Q663-Y665 WeakPolarHBondContact O-CD2 3.46Å; Q663-Y665 PolarHBondContact O-N 3.18Å; Q663-Y665 PolarHBondContact OE1-OH 2.82Å; Y665-P684 HydrophobicContact CD1-CB 3.22Å; Y665-P684 HydrophobicContact CD1-CG 4.46Å; Y665-P684 HydrophobicContact CD2-CB 4.39Å; Y665-P684 HydrophobicContact CE1-CB 3.76Å; Y665-P684 HydrophobicContact CG-CB 3.58Å; Y665-G685 VanDerWaalsContact CE2-CA 3.42Å; Y665-G685 VanDerWaalsContact CZ-CA 3.43Å; Y665-G685 WeakPolarHBondContact OH-CA 3.41Å; Y665-E688 PolarHBondContact OH-OE1 3.22Å; Y665-E688 PolarHBondContact OH-OE2 2.69Å
666P75.4Confident74.8Confident111 Ų111102.2 Ų102.272%0.72156%0.556SS**PPolyproline II helixtrans-59151.8171.426.2-33.5000109.9I668P666-I668 PolarHBondContact O-N 3.29Å
667G79.8Confident74.9Confident70 Ų70105.5 Ų105.572%0.72258%0.583SS**PPolyproline II helixtrans-54.1135.5175.300000111P669G667-P669 WeakPolarHBondContact O-CD 3.46Å
668I82.3Confident75Confident59 Ų59102 Ų10230%0.30357%0.572SS.*PPolyproline II helixtrans-61.6122.3-177.7-56.3176.4000109.1P666 A670 L672 F673 L678 I683P666-I668 PolarHBondContact O-N 3.29Å; I668-A670 PolarHBondContact O-N 3.02Å; I668-L672 HydrophobicContact CG2-CB 4.48Å; I668-L672 HydrophobicContact CG2-CD1 3.87Å; I668-F673 HydrophobicContact CB-CE2 4.09Å; I668-F673 HydrophobicContact CB-CZ 4.28Å; I668-F673 HydrophobicContact CG2-CE2 3.62Å; I668-F673 HydrophobicContact CG2-CZ 3.89Å; I668-L678 HydrophobicContact CD1-CD1 4.3Å; I668-L678 HydrophobicContact CG2-CD1 3.56Å; I668-I683 HydrophobicContact CD1-CB 4.5Å; I668-I683 HydrophobicContact CD1-CG1 4.2Å; I668-I683 HydrophobicContact CD1-CG2 3.98Å
669P82.6Confident75Confident63 Ų63102.9 Ų102.941%0.40958%0.575SS.*PPolyproline II helixtrans-59.8131.2-178.9-27.435.3000113.1G667 K671 L672G667-P669 WeakPolarHBondContact O-CD 3.46Å; P669-K671 HydrophobicContact CB-CD 4.28Å; P669-K671 HydrophobicContact CB-CG 3.73Å; P669-K671 PolarHBondContact O-N 3.49Å; P669-L672 HydrophobicContact CG-CD1 4.49Å; P669-L672 WeakPolarHBondContact O-CB 3.45Å; P669-L672 PolarHBondContact O-N 3.2Å
670A78.2Confident75.1Confident85 Ų8598.7 Ų98.770%0.70256%0.56SS**G310 helixtrans-52.5-28.6179.700000114.1I668 L672 F673I668-A670 PolarHBondContact O-N 3.02Å; A670-L672 PolarHBondContact O-N 3.11Å; A670-F673 PolarHBondContact O-N 3.01Å; A670-F673 VanDerWaalsContact O-N 3.15Å
671K81.4Confident75.6Confident147 Ų14798 Ų9864%0.63955%0.549SS*.G310 helixtrans-57.1-26.8175.960.3177.9-179.8178.10114.2P669 F673 R674P669-K671 HydrophobicContact CB-CD 4.28Å; P669-K671 HydrophobicContact CB-CG 3.73Å; P669-K671 PolarHBondContact O-N 3.49Å; K671-F673 VanDerWaalsContact C-N 3.32Å; K671-R674 WeakPolarHBondContact O-CG 3.09Å
672L77.7Confident76Confident87 Ų8798.9 Ų98.946%0.45554%0.541SS..G310 helixtrans-76.1-21-178.6-67.4171.4000112.3I668 P669 A670 R674 L678I668-L672 HydrophobicContact CG2-CB 4.48Å; I668-L672 HydrophobicContact CG2-CD1 3.87Å; P669-L672 HydrophobicContact CG-CD1 4.49Å; P669-L672 WeakPolarHBondContact O-CB 3.45Å; P669-L672 PolarHBondContact O-N 3.2Å; A670-L672 PolarHBondContact O-N 3.11Å; L672-R674 VanDerWaalsContact C-N 3.33Å; L672-L678 HydrophobicContact CB-CD1 4.3Å; L672-L678 HydrophobicContact CB-CD2 3.92Å; L672-L678 WeakPolarHBondContact O-CD2 3.42Å
673F81.2Confident76.8Confident97 Ų9795.3 Ų95.343%0.42552%0.522SS..G310 helixtrans-86.81.1178.1-60.8-88.5000113.7I668 A670 K671 N675 G676 L678I668-F673 HydrophobicContact CB-CE2 4.09Å; I668-F673 HydrophobicContact CB-CZ 4.28Å; I668-F673 HydrophobicContact CG2-CE2 3.62Å; I668-F673 HydrophobicContact CG2-CZ 3.89Å; A670-F673 PolarHBondContact O-N 3.01Å; A670-F673 VanDerWaalsContact O-N 3.15Å; K671-F673 VanDerWaalsContact C-N 3.32Å; F673-N675 PolarHBondContact O-N 3.46Å; F673-N675 VanDerWaalsContact O-N 3.13Å; F673-G676 PolarHBondContact O-N 3.11Å; F673-G676 VanDerWaalsContact O-N 3.14Å; F673-L678 HydrophobicContact CD1-CD1 4.34Å; F673-L678 HydrophobicContact CD1-CG 4.12Å; F673-L678 HydrophobicContact CE1-CD1 3.78Å; F673-L678 HydrophobicContact CE1-CG 3.91Å; F673-L678 HydrophobicContact CE2-CD1 4.16Å; F673-L678 HydrophobicContact CZ-CD1 3.68Å; F673-L678 HydrophobicContact CZ-CG 4.32Å
674R75.1Confident77.3Confident210 Ų21093.3 Ų93.379%0.79252%0.518SS*.G310 helixtrans-58.2-27.2-179-79.8-174.8-178.7-175.71.2113.6K671 L672K671-R674 WeakPolarHBondContact O-CG 3.09Å; L672-R674 VanDerWaalsContact C-N 3.33Å
675N76.4Confident77.3Confident166 Ų16688.5 Ų88.589%0.88849%0.486SS*.G310 helixtrans-105.418.4-176.4-60.7-11.1000112.5F673F673-N675 PolarHBondContact O-N 3.46Å; F673-N675 VanDerWaalsContact O-N 3.13Å
676G76.9Confident77.2Confident32 Ų3287.6 Ų87.633%0.3349%0.487SS..SBendtrans102.2-166.5-177.500000113.7F673F673-G676 PolarHBondContact O-N 3.11Å; F673-G676 VanDerWaalsContact O-N 3.14Å
677P81.8Confident76.3Confident125 Ų12586.3 Ų86.381%0.81248%0.477SS*.SBendtrans-62.5141.5-178.524.6-32.2000111.7
678L79.9Confident75.4Confident27 Ų2787.9 Ų87.914%0.14147%0.465CS..PPolyproline II helixtrans-71.4139.7176.8-67.7175.7000110.9I668 L672 F673 Q682 I683I668-L678 HydrophobicContact CD1-CD1 4.3Å; I668-L678 HydrophobicContact CG2-CD1 3.56Å; L672-L678 HydrophobicContact CB-CD1 4.3Å; L672-L678 HydrophobicContact CB-CD2 3.92Å; L672-L678 WeakPolarHBondContact O-CD2 3.42Å; F673-L678 HydrophobicContact CD1-CD1 4.34Å; F673-L678 HydrophobicContact CD1-CG 4.12Å; F673-L678 HydrophobicContact CE1-CD1 3.78Å; F673-L678 HydrophobicContact CE1-CG 3.91Å; F673-L678 HydrophobicContact CE2-CD1 4.16Å; F673-L678 HydrophobicContact CZ-CD1 3.68Å; F673-L678 HydrophobicContact CZ-CG 4.32Å; L678-Q682 HydrophobicContact CB-CB 4.28Å; L678-Q682 HydrophobicContact CD2-CB 4.19Å; L678-I683 HydrophobicContact CB-CG1 4.31Å
679R76.3Confident74.4Confident152 Ų15290 Ų9057%0.57448%0.476SS*.PPolyproline II helixtrans-69.4150.1169.2-56.2-170.3-53.4-133.9-2.1109.6D681 Q682R679-D681 WeakPolarHBondContact CB-OD1 3.13Å; R679-D681 IonicContact CZ-OD2 3.46Å; R679-D681 IonicContact NE-OD1 3.09Å; R679-D681 PolarHBondContact NE-OD1 3.27Å; R679-D681 VanDerWaalsContact NE-OD1 3.09Å; R679-D681 IonicContact NE-OD2 3.25Å; R679-D681 PolarHBondContact NE-OD2 3.3Å; R679-D681 IonicContact NH2-OD2 2.8Å; R679-D681 PolarHBondContact NH2-OD2 2.87Å; R679-D681 PolarHBondContact O-N 3.38Å; R679-D681 VanDerWaalsContact O-N 3.09Å; R679-Q682 HydrophobicContact CB-CG 4.31Å; R679-Q682 WeakPolarHBondContact O-CB 3.42Å; R679-Q682 PolarHBondContact O-N 2.79Å
680P76.1Confident72.7Confident53 Ų5393.5 Ų93.534%0.34449%0.491SS..G310 helixtrans-53.1-31.6179.3-28.535.7000114.4Q682 I683 L696P680-Q682 PolarHBondContact O-N 3.27Å; P680-I683 PolarHBondContact O-N 3.44Å; P680-L696 HydrophobicContact CB-CD2 4.03Å; P680-L696 HydrophobicContact CG-CD2 3.66Å
681D76Confident71.1Confident86 Ų8692.2 Ų92.246%0.4647%0.473SS..G310 helixtrans-65.2-19175.256.8-64.8000114R679 T687R679-D681 WeakPolarHBondContact CB-OD1 3.13Å; R679-D681 IonicContact CZ-OD2 3.46Å; R679-D681 IonicContact NE-OD1 3.09Å; R679-D681 PolarHBondContact NE-OD1 3.27Å; R679-D681 VanDerWaalsContact NE-OD1 3.09Å; R679-D681 IonicContact NE-OD2 3.25Å; R679-D681 PolarHBondContact NE-OD2 3.3Å; R679-D681 IonicContact NH2-OD2 2.8Å; R679-D681 PolarHBondContact NH2-OD2 2.87Å; R679-D681 PolarHBondContact O-N 3.38Å; R679-D681 VanDerWaalsContact O-N 3.09Å; D681-T687 HydrophobicContact CB-CG2 4.41Å; D681-T687 WeakPolarHBondContact O-CG2 3.22Å
682Q74.3Confident69.2Low85 Ų8590 Ų9040%0.39747%0.472SS..G310 helixtrans-94.7-1.3-177.4-57.8178.2-53.600113L678 R679 P680 P684L678-Q682 HydrophobicContact CB-CB 4.28Å; L678-Q682 HydrophobicContact CD2-CB 4.19Å; R679-Q682 HydrophobicContact CB-CG 4.31Å; R679-Q682 WeakPolarHBondContact O-CB 3.42Å; R679-Q682 PolarHBondContact O-N 2.79Å; P680-Q682 PolarHBondContact O-N 3.27Å; Q682-P684 WeakPolarHBondContact O-CD 3.46Å
683I76.7Confident67.6Low50 Ų5090.8 Ų90.826%0.25648%0.484SS..SBendtrans-101.4112.8-178.9-59.7170.4000108.8I668 L678 P680 G685 L686I668-I683 HydrophobicContact CD1-CB 4.5Å; I668-I683 HydrophobicContact CD1-CG1 4.2Å; I668-I683 HydrophobicContact CD1-CG2 3.98Å; L678-I683 HydrophobicContact CB-CG1 4.31Å; P680-I683 PolarHBondContact O-N 3.44Å; I683-G685 PolarHBondContact O-N 3.35Å; I683-L686 HydrophobicContact CB-CB 4.25Å; I683-L686 HydrophobicContact CB-CD1 3.66Å; I683-L686 HydrophobicContact CB-CG 4.41Å; I683-L686 HydrophobicContact CD1-CD1 3.65Å; I683-L686 HydrophobicContact CG1-CD1 4.23Å; I683-L686 HydrophobicContact CG2-CB 4.46Å; I683-L686 HydrophobicContact CG2-CD1 3.68Å; I683-L686 HydrophobicContact CG2-CG 4.29Å; I683-L686 WeakPolarHBondContact O-CB 3.3Å; I683-L686 PolarHBondContact O-N 3.35Å; I683-L686 VanDerWaalsContact O-N 3.09Å
684P71.5Confident66Low62 Ų6291.6 Ų91.640%0.40349%0.493SS..THydrogen-bonded Turntrans-54.4135.8176.8-25.134.4000111.8Y665 Q682 L686Y665-P684 HydrophobicContact CD1-CB 3.22Å; Y665-P684 HydrophobicContact CD1-CG 4.46Å; Y665-P684 HydrophobicContact CD2-CB 4.39Å; Y665-P684 HydrophobicContact CE1-CB 3.76Å; Y665-P684 HydrophobicContact CG-CB 3.58Å; Q682-P684 WeakPolarHBondContact O-CD 3.46Å; P684-L686 VanDerWaalsContact C-N 3.32Å; P684-L686 PolarHBondContact O-N 2.73Å
685G70.6Confident64.8Low13 Ų1389.3 Ų89.313%0.13449%0.489CS..THydrogen-bonded Turntrans86.7-19.7-176.100000115.4Y665 I683 I689Y665-G685 VanDerWaalsContact CE2-CA 3.42Å; Y665-G685 VanDerWaalsContact CZ-CA 3.43Å; Y665-G685 WeakPolarHBondContact OH-CA 3.41Å; I683-G685 PolarHBondContact O-N 3.35Å; G685-I689 WeakPolarHBondContact O-CD1 3.13Å; G685-I689 VanDerWaalsContact O-CG1 3.27Å; G685-I689 WeakPolarHBondContact O-CG1 3.42Å; G685-I689 PolarHBondContact O-N 3Å
686L70.4Confident63.1Low60 Ų6083.5 Ų83.531%0.31446%0.457SS..THydrogen-bonded Turntrans-80.8-26.4172.8-90.8166.8000112.9I683 P684 I689 L691I683-L686 HydrophobicContact CB-CB 4.25Å; I683-L686 HydrophobicContact CB-CD1 3.66Å; I683-L686 HydrophobicContact CB-CG 4.41Å; I683-L686 HydrophobicContact CD1-CD1 3.65Å; I683-L686 HydrophobicContact CG1-CD1 4.23Å; I683-L686 HydrophobicContact CG2-CB 4.46Å; I683-L686 HydrophobicContact CG2-CD1 3.68Å; I683-L686 HydrophobicContact CG2-CG 4.29Å; I683-L686 WeakPolarHBondContact O-CB 3.3Å; I683-L686 PolarHBondContact O-N 3.35Å; I683-L686 VanDerWaalsContact O-N 3.09Å; P684-L686 VanDerWaalsContact C-N 3.32Å; P684-L686 PolarHBondContact O-N 2.73Å; L686-I689 VanDerWaalsContact O-O 3.05Å; L686-L691 HydrophobicContact CD2-CD1 4.02Å
687T57.4Low61.6Low83 Ų8384.2 Ų84.251%0.50946%0.457SS..THydrogen-bonded Turntrans-78-23.4173.343.80000113.3D681D681-T687 HydrophobicContact CB-CG2 4.41Å; D681-T687 WeakPolarHBondContact O-CG2 3.22Å
688E61.4Low60.1Low104 Ų10483.7 Ų83.749%0.48645%0.448SS..THydrogen-bonded Turntrans-88.3-22.2179.5-63.3177.2-139.800112.3Q663 Y665 D690Q663-E688 PolarHBondContact NE2-OE2 3.04Å; Q663-E688 PolarHBondContact OE1-OE2 3.19Å; Q663-E688 VanDerWaalsContact OE1-OE2 3.06Å; Y665-E688 PolarHBondContact OH-OE1 3.22Å; Y665-E688 PolarHBondContact OH-OE2 2.69Å; E688-D690 PolarHBondContact O-N 3.36Å
689I59.6Low58.5Low102 Ų10288.5 Ų88.552%0.52347%0.473SS..SBendtrans-75.3109160.4-57.9162.7000104.5G685 L686 L691G685-I689 WeakPolarHBondContact O-CD1 3.13Å; G685-I689 VanDerWaalsContact O-CG1 3.27Å; G685-I689 WeakPolarHBondContact O-CG1 3.42Å; G685-I689 PolarHBondContact O-N 3Å; L686-I689 VanDerWaalsContact O-O 3.05Å; I689-L691 HydrophobicContact CB-CD1 4.1Å; I689-L691 HydrophobicContact CB-CG 4.41Å; I689-L691 HydrophobicContact CG2-CD1 3.78Å; I689-L691 HydrophobicContact CG2-CG 3.81Å; I689-L691 PolarHBondContact O-N 3.2Å
690D48.3Very low57Low137 Ų13787.2 Ų87.273%0.73347%0.472SS*.  trans-59.562.7-177-148.917.4000112.6E688 T692E688-D690 PolarHBondContact O-N 3.36Å; D690-T692 PolarHBondContact O-N 3.13Å; D690-T692 WeakPolarHBondContact OD1-CG2 3.26Å; D690-T692 PolarHBondContact OD1-OG1 3.15Å
691L44.8Very low55.4Low59 Ų5991.6 Ų91.631%0.30949%0.487SS..  trans-88.226.6175.7-73.8160.5000109.4L686 I689 S693 L696L686-L691 HydrophobicContact CD2-CD1 4.02Å; I689-L691 HydrophobicContact CB-CD1 4.1Å; I689-L691 HydrophobicContact CB-CG 4.41Å; I689-L691 HydrophobicContact CG2-CD1 3.78Å; I689-L691 HydrophobicContact CG2-CG 3.81Å; I689-L691 PolarHBondContact O-N 3.2Å; L691-S693 PolarHBondContact O-N 3.3Å; L691-S693 VanDerWaalsContact O-N 3.16Å; L691-L696 HydrophobicContact CB-CD1 3.85Å; L691-L696 HydrophobicContact CD1-CD1 3.95Å; L691-L696 HydrophobicContact CD2-CD1 4.09Å; L691-L696 HydrophobicContact CG-CD1 4.17Å
692T40.1Very low53.9Low101 Ų10196.4 Ų96.462%0.6250%0.504SS*.  trans-61118.5-176.6510000110.9D690 N694D690-T692 PolarHBondContact O-N 3.13Å; D690-T692 WeakPolarHBondContact OD1-CG2 3.26Å; D690-T692 PolarHBondContact OD1-OG1 3.15Å; T692-N694 PolarHBondContact O-N 2.99Å
693S44.6Very low52.1Low102 Ų10296.9 Ų96.971%0.71351%0.508SS*.SBendtrans65-33.7161.8940000122.1L691L691-S693 PolarHBondContact O-N 3.3Å; L691-S693 VanDerWaalsContact O-N 3.16Å
694N47.2Very low50.1Low115 Ų11599 Ų9962%0.61553%0.525SS*.SBendtrans-120.1-18-167.7-67.6-0.3000116.9T692 S697T692-N694 PolarHBondContact O-N 2.99Å; N694-S697 PolarHBondContact O-OG 3.27Å
695K49.8Very low48.4Very low161 Ų161104.7 Ų104.770%0.754%0.544SS*.Hα-helixtrans-94-20.4-176.9-78.3178.5178.2173.60114.5
696L42.3Very low46.8Very low44 Ų44109.4 Ų109.423%0.2357%0.57CS.*Hα-helixtrans-79.2-39.2179.8-128.9106.2000111.6P680 L691 D698 L699 F700P680-L696 HydrophobicContact CB-CD2 4.03Å; P680-L696 HydrophobicContact CG-CD2 3.66Å; L691-L696 HydrophobicContact CB-CD1 3.85Å; L691-L696 HydrophobicContact CD1-CD1 3.95Å; L691-L696 HydrophobicContact CD2-CD1 4.09Å; L691-L696 HydrophobicContact CG-CD1 4.17Å; L696-D698 VanDerWaalsContact C-N 3.28Å; L696-D698 PolarHBondContact O-N 2.72Å; L696-L699 WeakPolarHBondContact O-CB 3.36Å; L696-L699 PolarHBondContact O-N 2.83Å; L696-L699 VanDerWaalsContact O-N 3.09Å; L696-F700 HydrophobicContact CD2-CD2 3.99Å; L696-F700 HydrophobicContact CD2-CE2 3.47Å; L696-F700 VanDerWaalsContact CD2-CE2 3.47Å; L696-F700 HydrophobicContact CG-CD2 4.31Å; L696-F700 HydrophobicContact CG-CE2 3.92Å; L696-F700 WeakPolarHBondContact O-CD2 3.48Å; L696-F700 PolarHBondContact O-N 3.23Å
697S44.6Very low45.3Very low47 Ų47113.3 Ų113.333%0.32959%0.586SS.*Hα-helixtrans-57-39.317744.60000112.7N694 L699 F700 H701N694-S697 PolarHBondContact O-OG 3.27Å; S697-L699 VanDerWaalsContact C-N 3.3Å; S697-L699 PolarHBondContact O-N 3.22Å; S697-F700 PolarHBondContact O-N 3.15Å; S697-H701 WeakPolarHBondContact O-CB 3.46Å; S697-H701 PolarHBondContact O-CD2 2.99Å; S697-H701 PolarHBondContact O-N 3.41Å
698D49.3Very low44.3Very low114 Ų114116 Ų11661%0.6160%0.597SS**Hα-helixtrans-70.7-25.2178.7-71.3-11.6000113.5L696L696-D698 VanDerWaalsContact C-N 3.28Å; L696-D698 PolarHBondContact O-N 2.72Å
699L47.4Very low43Very low128 Ų128115.6 Ų115.667%0.6761%0.606SS**Hα-helixtrans-78.1-30.3175.2-83.7157.4000112L696 S697L696-L699 WeakPolarHBondContact O-CB 3.36Å; L696-L699 PolarHBondContact O-N 2.83Å; L696-L699 VanDerWaalsContact O-N 3.09Å; S697-L699 VanDerWaalsContact C-N 3.3Å; S697-L699 PolarHBondContact O-N 3.22Å
700F44.5Very low41.8Very low126 Ų126118.6 Ų118.655%0.55362%0.618SS**Hα-helixtrans-95-20-178.1-72.7-74.3000114.3L696 S697 K702L696-F700 HydrophobicContact CD2-CD2 3.99Å; L696-F700 HydrophobicContact CD2-CE2 3.47Å; L696-F700 VanDerWaalsContact CD2-CE2 3.47Å; L696-F700 HydrophobicContact CG-CD2 4.31Å; L696-F700 HydrophobicContact CG-CE2 3.92Å; L696-F700 WeakPolarHBondContact O-CD2 3.48Å; L696-F700 PolarHBondContact O-N 3.23Å; S697-F700 PolarHBondContact O-N 3.15Å; F700-K702 VanDerWaalsContact C-N 3.28Å; F700-K702 PolarHBondContact O-N 3.29Å
701H43Very low41.3Very low144 Ų144117.8 Ų117.867%0.66761%0.612SS**THydrogen-bonded Turntrans-77.1-2.4177.7-80.1-48.8000115.7S697 I703S697-H701 WeakPolarHBondContact O-CB 3.46Å; S697-H701 PolarHBondContact O-CD2 2.99Å; S697-H701 PolarHBondContact O-N 3.41Å; H701-I703 VanDerWaalsContact C-N 3.34Å
702K44.6Very low40.7Very low188 Ų188121.6 Ų121.682%0.81763%0.633SS**THydrogen-bonded Turntrans-88.76.4174.4-76.1-177.9178.6175.30114.6F700F700-K702 VanDerWaalsContact C-N 3.28Å; F700-K702 PolarHBondContact O-N 3.29Å
703I36.6Very low40.4Very low95 Ų95125.5 Ų125.549%0.48764%0.644SS.*SBendtrans-102122.2176.6-55.5174.4000108.4H701 K705H701-I703 VanDerWaalsContact C-N 3.34Å; I703-K705 PolarHBondContact O-N 3.27Å
704P34.4Very low39.9Very low93 Ų93126.3 Ų126.360%0.60465%0.645SS**  trans-56.2134.3177.5-22.632.4000112T706P704-T706 PolarHBondContact O-N 3.44Å
705K34.6Very low39.3Very low183 Ų183131 Ų13180%0.79666%0.655SS**THydrogen-bonded Turntrans-68.512.9-173.9-71.4-177.9176177.30115.6I703I703-K705 PolarHBondContact O-N 3.27Å
706T37.3Very low38.5Very low112 Ų112130.5 Ų130.569%0.68766%0.659SS**THydrogen-bonded Turntrans-97.1-7.1-171.7370000115.2P704P704-T706 PolarHBondContact O-N 3.44Å
707E38.7Very low37.9Very low141 Ų141135 Ų13566%0.65968%0.683SS**SBendtrans-110.42.2-174-70.8-178.1162.300115.2
708L36.1Very low37.4Very low140 Ų140140.7 Ų140.773%0.73371%0.71SS**SBendtrans-92.9-3.4-173.6-87137.9000115.2
709S34.6Very low36.6Very low96 Ų96143.9 Ų143.967%0.67172%0.721SS**SBendtrans-102.4-14.4-177.848.40000115.4
710E35.5Very low35.9Very low164 Ų164144.5 Ų144.577%0.76673%0.729SS**SBendtrans-98.4-7.6-171.8-67.9-174.9165.100114.6
711I36.4Very low35.2Very low120 Ų120143.3 Ų143.362%0.61574%0.736SS**G310 helixtrans-91.5-10.8-172.7-61.4173.4000112.9Q713I711-Q713 PolarHBondContact O-N 2.85Å
712N33.3Very low34.5Very low140 Ų140143.9 Ų143.975%0.74975%0.75SS**G310 helixtrans-87.55.2-172.2-78.9-30.8000116.2
713Q33.6Very low33.9Very low183 Ų183144.7 Ų144.786%0.85575%0.753SS**G310 helixtrans-113.2-6.1-174-87.3175.7-11.900116.7I711I711-Q713 PolarHBondContact O-N 2.85Å
714T34.1Very low33.4Very low118 Ų118151.7 Ų151.772%0.72477%0.774SS**SBendtrans-113.31.6-168.1210000116.5
715Y33.9Very low33.3Very low215 Ų215157.4 Ų157.484%0.84379%0.789SS**  trans-111.89.4-173-91.2-85.4000116.7N717Y715-N717 PolarHBondContact O-N 3.05Å
716I32.6Very low33Very low149 Ų149154 Ų15476%0.76479%0.788SS**  trans-9587.3171.6-53.8174.7000107.6
717N31Very low32.7Very low139 Ų139153.6 Ų153.674%0.74379%0.79SS**SBendtrans169.2124.3144.2-83.1-27000111Y715Y715-N717 PolarHBondContact O-N 3.05Å
718N34.7Very low32.3Very low166 Ų166154.2 Ų154.289%0.88880%0.798SS**  trans110.392.8161.6-55.4-25.8000116.9
719H31.3Very low32.1Very low182 Ų182153.5 Ų153.584%0.84380%0.8SS**  trans-137.1104.9175.3-137.2-52.6000108.8
720V33.5Very low31.7Very low141 Ų141157.9 Ų157.986%0.85581%0.807SS**  trans-159.8101.1160.9-173.60000108.2
721S29.2Very low31.4Very low100 Ų100153.6 Ų153.670%0.69981%0.807SS**  64.9102.582.8-63.20000117.6
722V29.4Very low31.2Very low157 Ų157156.6 Ų156.695%0.95282%0.816SS**  trans-147.9146.6146.5-174.30000112.1
723K30.6Very low30.8Very low204 Ų204154.9 Ų154.989%0.88782%0.815SS**  trans-87.1159.3-157.3-70.2169.2172.8172.30117.3
724R27.6Very low30.6Very low242 Ų242153.4 Ų153.491%0.91382%0.817SS**  trans-62.8163.5171.6-63.1173.4174.6157.2-2.2115.7
725K30.4Very low30.3Very low214 Ų214156.1 Ų156.193%0.9382%0.822SS**  -163.7158.6128.9-108.7176.1-177.1-174.80113.6
726S28.8Very low30Very low110 Ų110155 Ų15577%0.76982%0.821SS**  trans-116.6162.1-157.646.60000114.5
727S32.5Very low29.8Very low105 Ų105155.5 Ų155.573%0.73483%0.825SS**  trans-177.5120147.923.90000108.2
728D29.2Very low29.7Very low154 Ų154158.1 Ų158.182%0.82483%0.832SS**  64.3133.392.3-65.1-26.2000112.8
729T31.2Very low29.4Very low125 Ų125158.1 Ų158.177%0.76783%0.827SS**  cis-170.9149.429.6-16.70000111.2
730F26.3Very low29.4Very low187 Ų187153.1 Ų153.182%0.8281%0.811SS**  trans46.7130.5140.9-113.7-107.3000125.5
731G30.9Very low29.4Very low75 Ų75149.8 Ų149.877%0.77379%0.792SS**  trans16991.1160.100000117.3
732K30.6Very low29.4Very low183 Ų183152 Ų15280%0.79679%0.785SS**  trans-30.1162.2163.4-69.9172.5178.61770117.2
733S26.1Very low29.6Very low104 Ų104154 Ų15473%0.72778%0.781SS**  cis178.7132.4-10.6-73.10000106.6
734V29.7Very low29.6Very low151 Ų151147.6 Ų147.692%0.91576%0.756SS**  trans-156.9119.9144.2178.50000108.6
735E27Very low30Very low176 Ų176144.9 Ų144.982%0.82275%0.746SS**  trans-85.5151.8176.2-72.4177.8137.400113.7
736K28.4Very low30Very low190 Ų190142.6 Ų142.683%0.82674%0.736SS**  trans139.8131.8140.1-79.4175.4-179.7179.10110.4
737L27.8Very low30.2Very low160 Ų160140.5 Ų140.584%0.83871%0.711SS**  cis-158.9138.9-1.2-102.2149.2000105.5
738H29.7Very low30.1Very low195 Ų195143.8 Ų143.890%0.90372%0.719SS**  trans-84.7144.7-171.8-99.756.1000113.6
739E27Very low30.4Very low166 Ų166142.7 Ų142.778%0.77671%0.713SS**  trans-128.4152.9156.9-115.6-169.8160.200109.3
740P32.3Very low30.4Very low77 Ų77144.1 Ų144.150%0.572%0.716SS.*PPolyproline II helixtrans-79.7152.9-153.432.6-35.2000113.7R742P740-R742 PolarHBondContact O-N 2.89Å
741P33.1Very low30.6Very low71 Ų71140.7 Ų140.746%0.46172%0.715SS.*PPolyproline II helixtrans-80.9126.9-166.531.8-32.4000111.3K743P741-K743 PolarHBondContact O-N 3.5Å
742R29.8Very low30.7Very low146 Ų146142.7 Ų142.755%0.55171%0.707SS**PPolyproline II helixtrans-59.3135.1150.7-72.7-173-176.8-178.58.8107.4F446 P740 L744F446-R742 VanDerWaalsContact CD1-NH2 3.28Å; F446-R742 VanDerWaalsContact CE1-CZ 3.46Å; F446-R742 VanDerWaalsContact CG-NH2 3.33Å; F446-R742 VanDerWaalsContact CZ-CZ 3.41Å; P740-R742 PolarHBondContact O-N 2.89Å; R742-L744 PolarHBondContact O-N 3.12Å
743K32.4Very low30.8Very low199 Ų199139.8 Ų139.887%0.86571%0.707SS**  trans-58.177.8-175.6-67.3179.9178.1179.80111.6P741P741-K743 PolarHBondContact O-N 3.5Å
744L31.1Very low30.9Very low69 Ų69140 Ų14036%0.36171%0.708SS.*  trans-93.1111.3167.1-72.5151.5000106.2R742 Y870 Q872R742-L744 PolarHBondContact O-N 3.12Å; L744-Y870 WeakPolarHBondContact CD2-O 3.32Å; L744-Q872 HydrophobicContact CB-CG 3.45Å; L744-Q872 VanDerWaalsContact CB-CG 3.45Å; L744-Q872 HydrophobicContact CD1-CG 3.81Å; L744-Q872 HydrophobicContact CG-CG 4.22Å
745R35.8Very low30.9Very low186 Ų186139 Ų13970%0.70271%0.705SS**  trans-69.7135.6-174.3-87.3179.3170.3172.5-2.7111.4R747R745-R747 PolarHBondContact O-N 3.4Å
746K31.4Very low31.2Very low165 Ų165136.1 Ų136.172%0.71771%0.705SS**  trans-74.5111.1164.6-126172.9-175.8170.70108L748K746-L748 PolarHBondContact O-N 2.86Å
747R33.1Very low31.2Very low67 Ų67133 Ų13325%0.25370%0.704SS.*  trans-72120.4166.3-80.9-164-170.1171.25.2109.6R745 E824 L877R745-R747 PolarHBondContact O-N 3.4Å; R747-E824 IonicContact CZ-OE2 2.63Å; R747-E824 PolarHBondContact NE-O 3.34Å; R747-E824 VanDerWaalsContact NE-O 3.1Å; R747-E824 IonicContact NH1-OE1 3.75Å; R747-E824 IonicContact NH1-OE2 2.74Å; R747-E824 PolarHBondContact NH1-OE2 3.42Å; R747-E824 VanDerWaalsContact NH2-C 3.34Å; R747-E824 PolarHBondContact NH2-O 3.01Å; R747-E824 VanDerWaalsContact NH2-O 3.08Å; R747-E824 IonicContact NH2-OE2 3.88Å; R747-E824 PolarHBondContact NH2-OE2 3.1Å; R747-L877 HydrophobicContact CB-CD1 4.32Å; R747-L877 HydrophobicContact CG-CD1 4.41Å
748L30.1Very low31.1Very low174 Ų174133.8 Ų133.891%0.91171%0.708SS**  trans-82.4122.7154.6-86.4149.1000106.5K746K746-L748 PolarHBondContact O-N 2.86Å
749L34.1Very low31.2Very low131 Ų131131.3 Ų131.369%0.68671%0.707SS**  trans-123.1130.3164.8-135.890.1000108.5
750D32.3Very low31.3Very low155 Ų155130.1 Ų130.183%0.82971%0.711SS**PPolyproline II helixtrans-63.1155.3178.1-72.3-50.2000112.8
751S29.8Very low31.3Very low115 Ų115135 Ų13580%0.80472%0.724SS**PPolyproline II helixtrans-48.9135.3-173.728.80000116.8
752L33.1Very low31.2Very low116 Ų116137.9 Ų137.961%0.60774%0.743SS**PPolyproline II helixtrans-57.5140.3168.5-79.3132000112.8I811L752-I811 HydrophobicContact CD1-CG1 3.99Å
753P33.2Very low31.1Very low123 Ų123138.3 Ų138.380%0.79975%0.751SS**PPolyproline II helixtrans-83138.8166.432.5-29.3000111.7
754S28.8Very low31.2Very low107 Ų107135.9 Ų135.975%0.74875%0.753SS**PPolyproline II helixtrans-73.9152.7174.843.20000113.2
755P29.4Very low31Very low130 Ų130142.2 Ų142.284%0.84478%0.778SS**PPolyproline II helixtrans-84.1140.4-17734-31.5000111.9
756S32.1Very low30.9Very low117 Ų117138.4 Ų138.482%0.81879%0.786SS**  trans-122.9153.9170.5-75.30000111.2
757P29Very low30.8Very low124 Ų124141.7 Ų141.781%0.80579%0.794SS**  trans-95.4163-148.1218.7000115.4
758L26.3Very low30.7Very low176 Ų176146.3 Ų146.392%0.92182%0.822SS**  trans-48.4131.7171.6-69.8137.2000114
759T31.9Very low30.8Very low143 Ų143143.1 Ų143.188%0.87781%0.814SS**  trans-139154.4152.346.60000110.9
760T28.7Very low30.9Very low142 Ų142142.1 Ų142.187%0.87182%0.818SS**  trans-88.2157.2-149.7380000116.2
761K31.8Very low30.9Very low179 Ų179146.3 Ų146.378%0.77882%0.823SS**  trans-54.1168.8176-58.8176.5172.7171.30114.2
762P30.8Very low31.1Very low131 Ų131145.4 Ų145.485%0.85182%0.816SS**  -142.3161.889.926.9-5.5000116.5
763Q28.8Very low31.3Very low156 Ų156146.3 Ų146.373%0.72983%0.827SS**  trans-73.3149.5176.8-64.2172.4-20.800112.6
764T32.7Very low31.2Very low148 Ų148150.6 Ų150.691%0.90883%0.827SS**  trans-148.3127148.114.70000111.2
765K27.9Very low31.4Very low201 Ų201157 Ų15787%0.87484%0.836SS**  trans-81.8144.5173.6-65.9172.2176.3174.20109.5
766A33.1Very low31.4Very low107 Ų107157.4 Ų157.488%0.88483%0.832SS**  trans-149.2140148.100000110.3
767R28.8Very low31.5Very low234 Ų234155.7 Ų155.788%0.88383%0.832SS**  trans-112.6162-166.4-169-178.4-169.2-176.92.9108
768I31.9Very low31.5Very low163 Ų163154.7 Ų154.784%0.83683%0.828SS**  trans143.3109.6152.4-72.3151.8000106.6
769S32.3Very low31.7Very low107 Ų107154.4 Ų154.475%0.74883%0.827SS**  cis84.8106.549.7169.20000115.6
770S35.4Very low31.6Very low110 Ų110156.9 Ų156.977%0.76983%0.825SS**  trans-175.2116.1131.945.20000109.8
771R33.8Very low31.7Very low244 Ų244157.3 Ų157.392%0.92182%0.821SS**  63.9135.595.3-109.8-177.3174.5171-1.9112.8
772S33Very low31.5Very low96 Ų96153.3 Ų153.367%0.67182%0.815SS**  cis-173.3149.712.1-169.20000104.4
773T36.8Very low31.4Very low134 Ų134154.8 Ų154.882%0.82282%0.816SS**  -170.3149.771.334.40000110.7
774R31Very low31.7Very low214 Ų214152.2 Ų152.281%0.80882%0.815SS**  trans-86.9152.5-179.2-64.4173.6-172.4164.30.2111.9
775Y33.2Very low32.3Very low240 Ų240153.5 Ų153.594%0.94182%0.816SS**  trans-133.2125.8133.7-121.6-93.9000108.4
776N30.1Very low33.1Very low140 Ų140148.8 Ų148.875%0.74980%0.797SS**  trans-89.8143.4-178.3-88.9-13.8000110.5
777G33.8Very low33.9Very low80 Ų80146.3 Ų146.383%0.82577%0.771SS**  trans-156.299.216100000108.1
778S29.8Very low35.6Very low104 Ų104141.6 Ų141.673%0.72776%0.764SS**  trans-81.9133.3-170.51770000111.7
779L29.7Very low37.3Very low169 Ų169139.9 Ų139.989%0.88575%0.747SS**  trans-151.1109.7151.5-101.6147.2000108.6
780K29.7Very low39Very low196 Ų196136.1 Ų136.185%0.85272%0.718SS**  trans-75122.7173.1-68.2176.8176.81790108
781I30.6Very low40.8Very low151 Ų151135.7 Ų135.777%0.77470%0.704SS**  trans-112.1114.1162.7-63.4176.5000106.6
782S28Very low43Very low94 Ų94125.6 Ų125.666%0.65768%0.676SS**  trans-66.5141.8175.945.80000112.4S784S782-S784 PolarHBondContact O-N 2.94Å
783D29.7Very low45.1Very low162 Ų162121.1 Ų121.187%0.86664%0.644SS**  trans24.489.9151.5-63.6-27.2000117.2
784S34.3Very low47.4Very low103 Ų103118.7 Ų118.772%0.7262%0.623SS**  trans-95.9107.6166.1-49.70000108.7S782 E786S782-S784 PolarHBondContact O-N 2.94Å; S784-E786 PolarHBondContact O-N 3.39Å
785L46.7Very low50.1Low175 Ų175114.2 Ų114.292%0.91661%0.611SS**PPolyproline II helixtrans-56.1119.1173.9-78.3124.4000109.9
786E43.9Very low52.9Low101 Ų101103.9 Ų103.947%0.47257%0.572SS.*PPolyproline II helixtrans-61.2143.7172.4-77.9-157.5-18000110.8S784 D788 I790 K794S784-E786 PolarHBondContact O-N 3.39Å; E786-D788 PolarHBondContact O-N 3.46Å; E786-I790 WeakPolarHBondContact OE2-CG2 3.39Å; E786-K794 VanDerWaalsContact CD-NZ 3.26Å; E786-K794 IonicContact OE1-NZ 3.16Å; E786-K794 PolarHBondContact OE1-NZ 2.93Å; E786-K794 VanDerWaalsContact OE1-NZ 3.17Å; E786-K794 IonicContact OE2-NZ 3.04Å; E786-K794 PolarHBondContact OE2-NZ 3.49Å
787P50.3Low55.8Low55 Ų5597.6 Ų97.636%0.35754%0.54SS..PPolyproline II helixtrans-53137.8176.7-24.430.4000112.9W789 I790 Q791P787-W789 HydrophobicContact CB-CG 4.47Å; P787-W789 PolarHBondContact O-N 3.2Å; P787-I790 HydrophobicContact CB-CD1 4.43Å; P787-I790 HydrophobicContact CB-CG1 4.28Å; P787-I790 HydrophobicContact CG-CD1 4.07Å; P787-I790 HydrophobicContact CG-CG1 4.46Å; P787-I790 WeakPolarHBondContact O-CB 3.47Å; P787-I790 PolarHBondContact O-N 3.15Å; P787-Q791 PolarHBondContact O-N 3.17Å
788D64.6Low58.6Low136 Ų13699.7 Ų99.773%0.72753%0.528SS*.Hα-helixtrans-53.1-33.9-173.5-152.830.6000113.5E786 I790 Q791 G792E786-D788 PolarHBondContact O-N 3.46Å; D788-I790 PolarHBondContact O-N 2.98Å; D788-Q791 PolarHBondContact O-N 2.72Å; D788-G792 PolarHBondContact O-N 3.4Å
789W66.7Low61.7Low127 Ų127100.6 Ų100.648%0.48152%0.519SS..Hα-helixtrans-70.1-29.717769.5-93.4000113.7P787 G792 A793 V851P787-W789 HydrophobicContact CB-CG 4.47Å; P787-W789 PolarHBondContact O-N 3.2Å; W789-G792 PolarHBondContact O-N 3.06Å; W789-A793 WeakPolarHBondContact O-CB 3.2Å; W789-A793 PolarHBondContact O-N 2.93Å; W789-V851 HydrophobicContact CE3-CG1 4.4Å; W789-V851 HydrophobicContact CZ3-CG1 4.41Å
790I68.4Low64.7Low28 Ų2892.6 Ų92.614%0.14448%0.477CS..Hα-helixtrans-70.7-39.8174.1-56.7-174.3000109.2E786 P787 D788 A793 K794E786-I790 WeakPolarHBondContact OE2-CG2 3.39Å; P787-I790 HydrophobicContact CB-CD1 4.43Å; P787-I790 HydrophobicContact CB-CG1 4.28Å; P787-I790 HydrophobicContact CG-CD1 4.07Å; P787-I790 HydrophobicContact CG-CG1 4.46Å; P787-I790 WeakPolarHBondContact O-CB 3.47Å; P787-I790 PolarHBondContact O-N 3.15Å; D788-I790 PolarHBondContact O-N 2.98Å; I790-A793 PolarHBondContact O-N 2.69Å; I790-K794 HydrophobicContact CG2-CD 4.26Å; I790-K794 WeakPolarHBondContact O-CB 3.3Å; I790-K794 WeakPolarHBondContact O-CG 3.47Å; I790-K794 PolarHBondContact O-N 2.99Å
791Q73.8Confident67.9Low101 Ų10188.9 Ų88.947%0.47246%0.457SS..Hα-helixtrans-63.7-43.4173.7-167.8169.67.600111.2P787 D788 K794 Q795P787-Q791 PolarHBondContact O-N 3.17Å; D788-Q791 PolarHBondContact O-N 2.72Å; Q791-K794 PolarHBondContact O-N 3.49Å; Q791-Q795 VanDerWaalsContact O-CG 3.29Å; Q791-Q795 WeakPolarHBondContact O-CG 3.49Å; Q791-Q795 PolarHBondContact O-N 2.88Å
792G79.1Confident71Confident32 Ų3285.5 Ų85.533%0.3345%0.445SS..Hα-helixtrans-60.5-42.6173.300000113.4D788 W789 Q795 L796D788-G792 PolarHBondContact O-N 3.4Å; W789-G792 PolarHBondContact O-N 3.06Å; G792-Q795 PolarHBondContact O-N 3.23Å; G792-L796 WeakPolarHBondContact O-CB 3.29Å; G792-L796 PolarHBondContact O-N 3.19Å
793A78.1Confident74.3Confident1 Ų181.3 Ų81.31%0.00842%0.415CS..Hα-helixtrans-64.8-43.1176.200000112.2W789 I790 L796 A797 N848 V851W789-A793 WeakPolarHBondContact O-CB 3.2Å; W789-A793 PolarHBondContact O-N 2.93Å; I790-A793 PolarHBondContact O-N 2.69Å; A793-L796 PolarHBondContact O-N 3.39Å; A793-A797 WeakPolarHBondContact O-CB 3.25Å; A793-A797 PolarHBondContact O-N 3Å; A793-N848 HydrophobicContact CB-CB 4.45Å; A793-V851 HydrophobicContact CB-CG1 4.04Å
794K84.4Confident77.5Confident84 Ų8473.6 Ų73.637%0.36537%0.374SS..Hα-helixtrans-60.8-45.7174.3-75.8172.3176.7170.60111.3E786 I790 Q791 L796 A797 E798E786-K794 VanDerWaalsContact CD-NZ 3.26Å; E786-K794 IonicContact OE1-NZ 3.16Å; E786-K794 PolarHBondContact OE1-NZ 2.93Å; E786-K794 VanDerWaalsContact OE1-NZ 3.17Å; E786-K794 IonicContact OE2-NZ 3.04Å; E786-K794 PolarHBondContact OE2-NZ 3.49Å; I790-K794 HydrophobicContact CG2-CD 4.26Å; I790-K794 WeakPolarHBondContact O-CB 3.3Å; I790-K794 WeakPolarHBondContact O-CG 3.47Å; I790-K794 PolarHBondContact O-N 2.99Å; Q791-K794 PolarHBondContact O-N 3.49Å; K794-L796 PolarHBondContact O-N 3.3Å; K794-A797 PolarHBondContact O-N 2.74Å; K794-E798 WeakPolarHBondContact O-CG 3.07Å; K794-E798 PolarHBondContact O-N 2.99Å
795Q88Confident80.4Confident119 Ų11971.9 Ų71.956%0.55636%0.357SS*.Hα-helixtrans-61.6-42.3176.3-73175.313.800112.4Q791 G792 E798 K799Q791-Q795 VanDerWaalsContact O-CG 3.29Å; Q791-Q795 WeakPolarHBondContact O-CG 3.49Å; Q791-Q795 PolarHBondContact O-N 2.88Å; G792-Q795 PolarHBondContact O-N 3.23Å; Q795-E798 PolarHBondContact O-N 3.34Å; Q795-K799 PolarHBondContact O-N 3.34Å
796L90.8Very high82.7Confident23 Ų2364.4 Ų64.412%0.1232%0.32CS..Hα-helixtrans-67.5-39.5176.5179.359.4000111.6G792 A793 K794 E798 K799 I800 Y850 K853 L897G792-L796 WeakPolarHBondContact O-CB 3.29Å; G792-L796 PolarHBondContact O-N 3.19Å; A793-L796 PolarHBondContact O-N 3.39Å; K794-L796 PolarHBondContact O-N 3.3Å; L796-E798 VanDerWaalsContact C-N 3.3Å; L796-E798 PolarHBondContact O-N 3.34Å; L796-K799 PolarHBondContact O-N 3.06Å; L796-K799 VanDerWaalsContact O-N 3.09Å; L796-I800 HydrophobicContact CD1-CD1 3.92Å; L796-I800 HydrophobicContact CD1-CG1 4.12Å; L796-I800 HydrophobicContact CD2-CD1 4.25Å; L796-I800 HydrophobicContact CG-CD1 3.71Å; L796-I800 HydrophobicContact CG-CG1 4.33Å; L796-I800 WeakPolarHBondContact O-CG1 3.34Å; L796-I800 PolarHBondContact O-N 3.22Å; L796-Y850 VanDerWaalsContact CD2-O 3.29Å; L796-Y850 WeakPolarHBondContact CD2-O 3.25Å; L796-K853 HydrophobicContact CD1-CB 4.34Å; L796-L897 HydrophobicContact CD1-CD2 4.22Å
797A91.7Very high85.1Confident9 Ų959.6 Ų59.67%0.07430%0.298CS..Hα-helixtrans-59.7-41176.400000111.7A793 K794 K799 I800 R801 L845A793-A797 WeakPolarHBondContact O-CB 3.25Å; A793-A797 PolarHBondContact O-N 3Å; K794-A797 PolarHBondContact O-N 2.74Å; A797-K799 VanDerWaalsContact C-N 3.3Å; A797-K799 PolarHBondContact O-N 2.75Å; A797-I800 PolarHBondContact O-N 3.36Å; A797-R801 VanDerWaalsContact O-CB 3.3Å; A797-R801 WeakPolarHBondContact O-CB 3.47Å; A797-R801 PolarHBondContact O-N 2.94Å; A797-L845 HydrophobicContact CB-CD1 3.81Å
798E92.5Very high87.3Confident123 Ų12360.8 Ų60.858%0.57530%0.295SS*.Hα-helixtrans-61.9-34.8174.2-71.5-55.6127.200112.7K794 Q795 L796 P802K794-E798 WeakPolarHBondContact O-CG 3.07Å; K794-E798 PolarHBondContact O-N 2.99Å; Q795-E798 PolarHBondContact O-N 3.34Å; L796-E798 VanDerWaalsContact C-N 3.3Å; L796-E798 PolarHBondContact O-N 3.34Å; E798-P802 WeakPolarHBondContact O-CD 3.42Å
799K93.9Very high88.7Confident124 Ų12458.9 Ų58.954%0.53929%0.293SS..Hα-helixtrans-73.9-36.3173.9-65.2-175178.5-173.90113.2Q795 L796 A797 P802 L897Q795-K799 PolarHBondContact O-N 3.34Å; L796-K799 PolarHBondContact O-N 3.06Å; L796-K799 VanDerWaalsContact O-N 3.09Å; A797-K799 VanDerWaalsContact C-N 3.3Å; A797-K799 PolarHBondContact O-N 2.75Å; K799-P802 WeakPolarHBondContact O-CD 3.44Å; K799-P802 WeakPolarHBondContact O-CG 3.34Å; K799-L897 HydrophobicContact CB-CD1 4.13Å; K799-L897 HydrophobicContact CD-CD2 4.36Å
800I94.6Very high90Very high0 Ų054.7 Ų54.70%028%0.278CS..Hα-helixtrans-76-36.2-178.9-71.3171000112L796 A797 I803 L804 L845 F856 L897L796-I800 HydrophobicContact CD1-CD1 3.92Å; L796-I800 HydrophobicContact CD1-CG1 4.12Å; L796-I800 HydrophobicContact CD2-CD1 4.25Å; L796-I800 HydrophobicContact CG-CD1 3.71Å; L796-I800 HydrophobicContact CG-CG1 4.33Å; L796-I800 WeakPolarHBondContact O-CG1 3.34Å; L796-I800 PolarHBondContact O-N 3.22Å; A797-I800 PolarHBondContact O-N 3.36Å; I800-I803 WeakPolarHBondContact O-CA 3.33Å; I800-I803 WeakPolarHBondContact O-CB 3.37Å; I800-I803 PolarHBondContact O-N 3.17Å; I800-L804 PolarHBondContact O-N 3.39Å; I800-L845 HydrophobicContact CB-CD1 3.9Å; I800-L845 HydrophobicContact CG2-CD1 3.66Å; I800-L845 HydrophobicContact CG2-CD2 4.25Å; I800-F856 HydrophobicContact CD1-CB 3.81Å; I800-F856 HydrophobicContact CD1-CD1 4.09Å; I800-F856 HydrophobicContact CD1-CD2 4.48Å; I800-F856 HydrophobicContact CD1-CG 3.89Å; I800-F856 HydrophobicContact CG1-CD1 4.07Å; I800-F856 HydrophobicContact CG1-CE1 4.41Å; I800-F856 HydrophobicContact CG1-CG 4.32Å; I800-F856 HydrophobicContact CG2-CD1 3.94Å; I800-F856 HydrophobicContact CG2-CD2 3.68Å; I800-F856 HydrophobicContact CG2-CE1 3.73Å; I800-F856 HydrophobicContact CG2-CE2 3.48Å; I800-F856 VanDerWaalsContact CG2-CE2 3.48Å; I800-F856 HydrophobicContact CG2-CG 3.91Å; I800-F856 HydrophobicContact CG2-CZ 3.52Å; I800-L897 HydrophobicContact CG1-CD1 4.33Å
801R96.6Very high91.2Very high119 Ų11958.9 Ų58.945%0.44930%0.3SS..Hα-helixtrans-49.3-48.5-177.4-173.1170.4175149.4-1.1115A797 I803 L804 N805 W842 L845A797-R801 VanDerWaalsContact O-CB 3.3Å; A797-R801 WeakPolarHBondContact O-CB 3.47Å; A797-R801 PolarHBondContact O-N 2.94Å; R801-I803 VanDerWaalsContact C-N 3.32Å; R801-I803 PolarHBondContact O-N 3.49Å; R801-L804 PolarHBondContact O-N 3.35Å; R801-N805 WeakPolarHBondContact O-CB 3.17Å; R801-N805 PolarHBondContact O-N 3.42Å; R801-N805 PolarHBondContact O-ND2 3.21Å; R801-W842 HydrophobicContact CG-CH2 4.21Å; R801-L845 HydrophobicContact CB-CD2 3.92Å; R801-L845 HydrophobicContact CG-CD2 4.31Å
802P95.9Very high92.1Very high79 Ų7955.8 Ų55.851%0.51329%0.286SS..Hα-helixtrans-64.4-35.2176.424.3-34.4000112.8E798 K799 A806E798-P802 WeakPolarHBondContact O-CD 3.42Å; K799-P802 WeakPolarHBondContact O-CD 3.44Å; K799-P802 WeakPolarHBondContact O-CG 3.34Å; P802-A806 WeakPolarHBondContact O-CB 3.4Å; P802-A806 PolarHBondContact O-N 3.09Å
803I96.1Very high92.8Very high6 Ų654.5 Ų54.53%0.03127%0.272CS..Hα-helixtrans-65.7-51.2177.9-58.1173.3000109.8I800 R801 N805 A806 L807 F856 F888 K891 M892 A895 L897I800-I803 WeakPolarHBondContact O-CA 3.33Å; I800-I803 WeakPolarHBondContact O-CB 3.37Å; I800-I803 PolarHBondContact O-N 3.17Å; R801-I803 VanDerWaalsContact C-N 3.32Å; R801-I803 PolarHBondContact O-N 3.49Å; I803-N805 VanDerWaalsContact C-N 3.32Å; I803-N805 PolarHBondContact O-N 3.3Å; I803-A806 WeakPolarHBondContact O-CB 3.31Å; I803-A806 PolarHBondContact O-N 2.65Å; I803-A806 VanDerWaalsContact O-N 3.1Å; I803-L807 HydrophobicContact CG2-CD1 3.87Å; I803-L807 WeakPolarHBondContact O-CD1 3.13Å; I803-L807 PolarHBondContact O-N 3.17Å; I803-F856 HydrophobicContact CG2-CE1 4.28Å; I803-F856 HydrophobicContact CG2-CZ 4.45Å; I803-F888 HydrophobicContact CG2-CD2 4.27Å; I803-F888 HydrophobicContact CG2-CE2 4.39Å; I803-K891 HydrophobicContact CG2-CB 3.96Å; I803-M892 HydrophobicContact CD1-SD 3.63Å; I803-M892 HydrophobicContact CG2-SD 4.31Å; I803-A895 HydrophobicContact CD1-CB 3.7Å; I803-A895 HydrophobicContact CG1-CB 4.4Å; I803-L897 HydrophobicContact CD1-CD1 3.82Å
804L96.1Very high93.4Very high0 Ų056.3 Ų56.30%029%0.291CS..Hα-helixtrans-62.5-39.9179.8-173.858.2000111.7I800 R801 L807 R808 L838 M841 W842 L845 F856I800-L804 PolarHBondContact O-N 3.39Å; R801-L804 PolarHBondContact O-N 3.35Å; L804-L807 PolarHBondContact O-N 3.47Å; L804-R808 VanDerWaalsContact O-CG 3.31Å; L804-R808 WeakPolarHBondContact O-CG 2.93Å; L804-R808 PolarHBondContact O-N 3.48Å; L804-L838 HydrophobicContact CD1-CD2 3.62Å; L804-M841 HydrophobicContact CD1-CB 4.34Å; L804-M841 HydrophobicContact CD2-CB 4.34Å; L804-W842 HydrophobicContact CB-CE3 4.48Å; L804-W842 HydrophobicContact CD2-CB 4.27Å; L804-W842 HydrophobicContact CD2-CD2 4.48Å; L804-W842 HydrophobicContact CD2-CE3 3.62Å; L804-W842 HydrophobicContact CD2-CZ3 4.35Å; L804-W842 HydrophobicContact CG-CE3 3.87Å; L804-W842 HydrophobicContact CG-CZ3 4.35Å; L804-L845 HydrophobicContact CD2-CB 4.33Å; L804-L845 HydrophobicContact CD2-CD2 3.98Å; L804-F856 HydrophobicContact CB-CE2 4.44Å; L804-F856 HydrophobicContact CB-CZ 4.35Å; L804-F856 HydrophobicContact CD1-CE2 4.29Å
805N95.3Very high93.8Very high67 Ų6753.9 Ų53.936%0.35828%0.284SS..Hα-helixtrans-59.4-44.4171.7-89.1-28.9000112.7R801 I803 L807 R808 S809 W842R801-N805 WeakPolarHBondContact O-CB 3.17Å; R801-N805 PolarHBondContact O-N 3.42Å; R801-N805 PolarHBondContact O-ND2 3.21Å; I803-N805 VanDerWaalsContact C-N 3.32Å; I803-N805 PolarHBondContact O-N 3.3Å; N805-L807 VanDerWaalsContact C-N 3.3Å; N805-L807 PolarHBondContact O-N 2.99Å; N805-R808 PolarHBondContact O-N 2.95Å; N805-S809 PolarHBondContact O-N 2.87Å; N805-S809 PolarHBondContact O-OG 2.92Å; N805-W842 WeakPolarHBondContact OD1-CH2 3.35Å; N805-W842 WeakPolarHBondContact OD1-CZ3 3.5Å
806A95.2Very high94.1Very high18 Ų1848.7 Ų48.715%0.14926%0.259CS..Hα-helixtrans-63.7-35.1179.100000112.4P802 I803 S809 H810 Y887 K891P802-A806 WeakPolarHBondContact O-CB 3.4Å; P802-A806 PolarHBondContact O-N 3.09Å; I803-A806 WeakPolarHBondContact O-CB 3.31Å; I803-A806 PolarHBondContact O-N 2.65Å; I803-A806 VanDerWaalsContact O-N 3.1Å; A806-S809 PolarHBondContact O-OG 3.18Å; A806-H810 PolarHBondContact O-N 3.02Å; A806-Y887 HydrophobicContact CB-CE1 4.35Å; A806-Y887 WeakPolarHBondContact O-CE1 3.48Å; A806-K891 HydrophobicContact CB-CD 4.31Å
807L95.7Very high94.3Very high1 Ų149.9 Ų49.91%0.00526%0.264CS..Hα-helixtrans-69.7-43.8172.8-86.977.2000111.2I803 L804 N805 S809 H810 S813 L838 M860 Y887 F888I803-L807 HydrophobicContact CG2-CD1 3.87Å; I803-L807 WeakPolarHBondContact O-CD1 3.13Å; I803-L807 PolarHBondContact O-N 3.17Å; L804-L807 PolarHBondContact O-N 3.47Å; N805-L807 VanDerWaalsContact C-N 3.3Å; N805-L807 PolarHBondContact O-N 2.99Å; L807-S809 VanDerWaalsContact C-N 3.27Å; L807-S809 PolarHBondContact O-N 3.01Å; L807-H810 VanDerWaalsContact O-CB 3.3Å; L807-H810 WeakPolarHBondContact O-CB 3.36Å; L807-H810 PolarHBondContact O-N 3.27Å; L807-H810 VanDerWaalsContact O-N 3.15Å; L807-S813 WeakPolarHBondContact O-CB 3.32Å; L807-L838 HydrophobicContact CB-CD2 4.08Å; L807-L838 HydrophobicContact CD2-CD2 4.27Å; L807-M860 HydrophobicContact CD2-CE 4.11Å; L807-M860 HydrophobicContact CD2-CG 4.43Å; L807-M860 HydrophobicContact CD2-SD 3.25Å; L807-M860 WeakPolarHBondContact CD2-SD 3.3Å; L807-Y887 HydrophobicContact CD1-CD1 4.32Å; L807-Y887 HydrophobicContact CD1-CE1 4.34Å; L807-Y887 HydrophobicContact CG-CD1 4.36Å; L807-F888 HydrophobicContact CD1-CB 4.38Å; L807-F888 HydrophobicContact CD1-CD2 4.16Å; L807-F888 HydrophobicContact CD2-CB 4.03Å; L807-F888 HydrophobicContact CD2-CD2 4.03Å; L807-F888 HydrophobicContact CD2-CG 4.3Å
808R96Very high94.3Very high80 Ų8057.3 Ų57.330%0.30230%0.295SS..Hα-helixtrans-62.7-33.5176.9-70.4178.372.2-162.26112L804 N805 H810 S813 Q817 L838 W842L804-R808 VanDerWaalsContact O-CG 3.31Å; L804-R808 WeakPolarHBondContact O-CG 2.93Å; L804-R808 PolarHBondContact O-N 3.48Å; N805-R808 PolarHBondContact O-N 2.95Å; R808-H810 VanDerWaalsContact C-N 3.34Å; R808-S813 PolarHBondContact O-OG 3.23Å; R808-Q817 PolarHBondContact O-NE2 3.08Å; R808-L838 HydrophobicContact CG-CB 3.96Å; R808-L838 HydrophobicContact CG-CD1 4.15Å; R808-L838 HydrophobicContact CG-CD2 4.38Å; R808-L838 HydrophobicContact CG-CG 4.41Å; R808-W842 VanDerWaalsContact NH1-CE2 3.27Å; R808-W842 VanDerWaalsContact NH1-CE3 3.3Å
809S93.7Very high94.3Very high96 Ų9653.7 Ų53.767%0.67128%0.282SS*.THydrogen-bonded Turntrans-82.5-7.9176.762.70000114.4N805 A806 L807N805-S809 PolarHBondContact O-N 2.87Å; N805-S809 PolarHBondContact O-OG 2.92Å; A806-S809 PolarHBondContact O-OG 3.18Å; L807-S809 VanDerWaalsContact C-N 3.27Å; L807-S809 PolarHBondContact O-N 3.01Å
810H94.3Very high94Very high39 Ų3948.8 Ų48.818%0.18126%0.262CS..SBendtrans-66.7137.7-178.9-169.8-84.4000111.6A806 L807 R808 L812 S813 L884 Y887A806-H810 PolarHBondContact O-N 3.02Å; L807-H810 VanDerWaalsContact O-CB 3.3Å; L807-H810 WeakPolarHBondContact O-CB 3.36Å; L807-H810 PolarHBondContact O-N 3.27Å; L807-H810 VanDerWaalsContact O-N 3.15Å; R808-H810 VanDerWaalsContact C-N 3.34Å; H810-L812 PolarHBondContact ND1-N 2.94Å; H810-L812 VanDerWaalsContact ND1-N 3.15Å; H810-L812 PolarHBondContact O-N 3.09Å; H810-L812 VanDerWaalsContact O-N 3.07Å; H810-S813 WeakPolarHBondContact O-CB 3.49Å; H810-S813 PolarHBondContact O-N 3.4Å; H810-S813 PolarHBondContact O-OG 3.44Å; H810-L884 HydrophobicContact CB-CD2 3.76Å; H810-L884 VanDerWaalsContact ND1-CD2 3.32Å; H810-L884 WeakPolarHBondContact ND1-CD2 3.37Å; H810-Y887 HydrophobicContact CB-CE1 4.35Å; H810-Y887 AromaticContact CD2-CD1 3.75Å; H810-Y887 AromaticContact CD2-CE1 3.85Å; H810-Y887 AromaticContact CD2-CG 3.84Å
811I92.9Very high93.7Very high116 Ų11651.7 Ų51.760%0.59528%0.281SS*.THydrogen-bonded Turntrans-56.5-31.6-175.4-167.8169.5000113.9L752L752-I811 HydrophobicContact CD1-CG1 3.99Å
812L93.3Very high93Very high35 Ų3550.6 Ų50.618%0.18328%0.283CS..THydrogen-bonded Turntrans-86.6-0.7178.9-55.1-179.5000114.2H810 G814 P815 Y876 T883 L884H810-L812 PolarHBondContact ND1-N 2.94Å; H810-L812 VanDerWaalsContact ND1-N 3.15Å; H810-L812 PolarHBondContact O-N 3.09Å; H810-L812 VanDerWaalsContact O-N 3.07Å; L812-G814 VanDerWaalsContact C-N 3.32Å; L812-G814 PolarHBondContact O-N 3.44Å; L812-P815 WeakPolarHBondContact O-CD 3.49Å; L812-Y876 HydrophobicContact CD2-CE2 4.09Å; L812-Y876 WeakPolarHBondContact CD2-OH 3.5Å; L812-T883 HydrophobicContact CD1-CG2 3.69Å; L812-L884 HydrophobicContact CB-CD1 4.38Å; L812-L884 HydrophobicContact CB-CG 4.23Å
813S93.8Very high92.2Very high5 Ų554.2 Ų54.24%0.03530%0.298CS..  trans-75.3-17.9-173.376.40000114.1L807 R808 H810 F816 Q817L807-S813 WeakPolarHBondContact O-CB 3.32Å; R808-S813 PolarHBondContact O-OG 3.23Å; H810-S813 WeakPolarHBondContact O-CB 3.49Å; H810-S813 PolarHBondContact O-N 3.4Å; H810-S813 PolarHBondContact O-OG 3.44Å; S813-F816 WeakPolarHBondContact O-CA 3.37Å; S813-F816 WeakPolarHBondContact O-CB 3.49Å; S813-F816 PolarHBondContact O-N 3.46Å; S813-Q817 PolarHBondContact O-N 3.37Å; S813-Q817 PolarHBondContact OG-NE2 2.97Å
814G90.9Very high91.6Very high40 Ų4058 Ų5841%0.41232%0.315SS..G310 helixtrans-43.1-52.9-17300000114.9L812 F816 Q817L812-G814 VanDerWaalsContact C-N 3.32Å; L812-G814 PolarHBondContact O-N 3.44Å; G814-F816 PolarHBondContact O-N 2.98Å; G814-F816 VanDerWaalsContact O-N 3.1Å; G814-Q817 PolarHBondContact O-N 3.37Å
815P91.6Very high91Very high32 Ų3258 Ų5821%0.20832%0.316CS..G310 helixtrans-65.5-11.9179.4-21.833.8000115.7L812 Y876 L877L812-P815 WeakPolarHBondContact O-CD 3.49Å; P815-Y876 HydrophobicContact CG-CE1 4.16Å; P815-L877 HydrophobicContact CB-CD2 3.35Å; P815-L877 HydrophobicContact CG-CD2 3.46Å; P815-L877 VanDerWaalsContact CG-CD2 3.46Å
816F96.1Very high90.3Very high10 Ų1058.2 Ų58.24%0.04432%0.321CS..G310 helixtrans-108.2-0.1-175.6-56.5-83.1000112.4S813 G814 D837 L838 M863 F864 C867 A881 L884S813-F816 WeakPolarHBondContact O-CA 3.37Å; S813-F816 WeakPolarHBondContact O-CB 3.49Å; S813-F816 PolarHBondContact O-N 3.46Å; G814-F816 PolarHBondContact O-N 2.98Å; G814-F816 VanDerWaalsContact O-N 3.1Å; F816-D837 WeakPolarHBondContact O-CB 3.43Å; F816-L838 HydrophobicContact CB-CD1 3.88Å; F816-L838 HydrophobicContact CB-CG 4.21Å; F816-L838 VanDerWaalsContact O-CB 3.26Å; F816-L838 WeakPolarHBondContact O-CB 3.33Å; F816-L838 WeakPolarHBondContact O-CG 3.33Å; F816-L838 PolarHBondContact O-N 3.21Å; F816-M863 HydrophobicContact CB-CE 4.01Å; F816-M863 HydrophobicContact CB-SD 3.76Å; F816-M863 HydrophobicContact CD1-CE 3.85Å; F816-M863 HydrophobicContact CD1-CG 3.75Å; F816-M863 HydrophobicContact CD1-SD 3.89Å; F816-M863 HydrophobicContact CE1-CG 4.47Å; F816-M863 HydrophobicContact CG-CE 4.07Å; F816-M863 HydrophobicContact CG-SD 4.21Å; F816-F864 HydrophobicContact CE1-CD1 4.46Å; F816-C867 HydrophobicContact CE1-CB 3.82Å; F816-C867 HydrophobicContact CZ-CB 4.32Å; F816-A881 HydrophobicContact CE1-CB 4.42Å; F816-A881 HydrophobicContact CZ-CB 3.97Å; F816-L884 HydrophobicContact CD2-CD1 3.35Å; F816-L884 HydrophobicContact CE2-CD1 3.4Å; F816-L884 HydrophobicContact CG-CD1 4.22Å; F816-L884 HydrophobicContact CZ-CD1 4.27Å
817Q93.4Very high89.8Confident48 Ų4860.4 Ų60.422%0.22433%0.33CS..SBendtrans-75.6-29.8-174.5-70.7-73.99.800114.3R808 S813 G814 G839R808-Q817 PolarHBondContact O-NE2 3.08Å; S813-Q817 PolarHBondContact O-N 3.37Å; S813-Q817 PolarHBondContact OG-NE2 2.97Å; G814-Q817 PolarHBondContact O-N 3.37Å; Q817-G839 WeakPolarHBondContact O-CA 3.5Å; Q817-G839 PolarHBondContact O-N 3.3Å
818K92.6Very high89.3Confident165 Ų16561 Ų6172%0.71733%0.332SS*.SBendtrans-133.4156.1-173.8-64.9-174.9179.6-176.60109.7
819P91.4Very high88.6Confident48 Ų4862 Ų6231%0.31234%0.337SS..PPolyproline II helixtrans-55.7143.2173.3-22.530.4000111.9T821 D837P819-T821 PolarHBondContact O-N 3.14Å; P819-D837 WeakPolarHBondContact CD-OD1 3.37Å; P819-D837 WeakPolarHBondContact CG-OD2 3.44Å
820V89.4Confident87.8Confident20 Ų2064.2 Ų64.212%0.12134%0.341CS..PPolyproline II helixtrans-67.5123174.5171.50000109.7A825 Y828 Y829V820-A825 HydrophobicContact CG1-CB 3.66Å; V820-Y828 HydrophobicContact CB-CD1 3.97Å; V820-Y828 HydrophobicContact CB-CD2 4.42Å; V820-Y828 HydrophobicContact CB-CE1 3.8Å; V820-Y828 HydrophobicContact CB-CE2 4.28Å; V820-Y828 HydrophobicContact CB-CG 4.27Å; V820-Y828 HydrophobicContact CG1-CD1 3.87Å; V820-Y828 HydrophobicContact CG1-CD2 3.81Å; V820-Y828 HydrophobicContact CG1-CE1 4.15Å; V820-Y828 HydrophobicContact CG1-CE2 4.11Å; V820-Y828 HydrophobicContact CG1-CG 3.69Å; V820-Y828 HydrophobicContact CG2-CE1 4.16Å; V820-Y828 HydrophobicContact CG2-CE2 4.1Å; V820-Y829 PolarHBondContact O-OH 3.38Å
821T87.6Confident87Confident62 Ų6265.8 Ų65.838%0.3835%0.35SS..PPolyproline II helixtrans-86.7157.7177.578.40000111.5P819 D823 E824 A825P819-T821 PolarHBondContact O-N 3.14Å; T821-D823 VanDerWaalsContact C-N 3.26Å; T821-D823 PolarHBondContact O-N 2.78Å; T821-E824 WeakPolarHBondContact O-CA 3.47Å; T821-E824 WeakPolarHBondContact O-CB 3.33Å; T821-E824 PolarHBondContact O-N 2.75Å; T821-E824 VanDerWaalsContact O-N 3.15Å; T821-E824 WeakPolarHBondContact OG1-CB 3.5Å; T821-E824 PolarHBondContact OG1-N 3.39Å; T821-A825 PolarHBondContact O-N 3.05Å
822L82Confident86.4Confident96 Ų9660.4 Ų60.450%0.50332%0.322SS..THydrogen-bonded Turntrans-65.3-29.4177.3-78.8173000112.5E824 A825 P826 Y829L822-E824 PolarHBondContact O-N 3.4Å; L822-A825 CarbonylContact O-C 3.21Å; L822-A825 PolarHBondContact O-N 3.49Å; L822-P826 WeakPolarHBondContact CD2-O 3.11Å; L822-P826 WeakPolarHBondContact O-CA 3.42Å; L822-P826 WeakPolarHBondContact O-CD 3.28Å; L822-P826 WeakPolarHBondContact O-CG 3.4Å; L822-Y829 HydrophobicContact CD2-CD2 3.59Å; L822-Y829 HydrophobicContact CD2-CE2 4.05Å; L822-Y829 HydrophobicContact CG-CD2 3.99Å; L822-Y829 HydrophobicContact CG-CE2 4Å
823D79.6Confident85.5Confident154 Ų15461.2 Ų61.282%0.82433%0.329SS*.THydrogen-bonded Turntrans-62.9-37.8173.5-53.9-47.4000111.2T821T821-D823 VanDerWaalsContact C-N 3.26Å; T821-D823 PolarHBondContact O-N 2.78Å
824E81.8Confident84.8Confident85 Ų8562 Ų6240%0.39733%0.331SS..THydrogen-bonded Turntrans-75.1-31.2-179.2-117.6-172.3-149.600112.7R747 T821 L822R747-E824 IonicContact CZ-OE2 2.63Å; R747-E824 PolarHBondContact NE-O 3.34Å; R747-E824 VanDerWaalsContact NE-O 3.1Å; R747-E824 IonicContact NH1-OE1 3.75Å; R747-E824 IonicContact NH1-OE2 2.74Å; R747-E824 PolarHBondContact NH1-OE2 3.42Å; R747-E824 VanDerWaalsContact NH2-C 3.34Å; R747-E824 PolarHBondContact NH2-O 3.01Å; R747-E824 VanDerWaalsContact NH2-O 3.08Å; R747-E824 IonicContact NH2-OE2 3.88Å; R747-E824 PolarHBondContact NH2-OE2 3.1Å; T821-E824 WeakPolarHBondContact O-CA 3.47Å; T821-E824 WeakPolarHBondContact O-CB 3.33Å; T821-E824 PolarHBondContact O-N 2.75Å; T821-E824 VanDerWaalsContact O-N 3.15Å; T821-E824 WeakPolarHBondContact OG1-CB 3.5Å; T821-E824 PolarHBondContact OG1-N 3.39Å; L822-E824 PolarHBondContact O-N 3.4Å
825A83.9Confident84.7Confident1 Ų162.8 Ų62.81%0.00833%0.329CS..  trans-159.490.2-177.800000110.8V820 T821 L822 D827 Y828 Y870V820-A825 HydrophobicContact CG1-CB 3.66Å; T821-A825 PolarHBondContact O-N 3.05Å; L822-A825 CarbonylContact O-C 3.21Å; L822-A825 PolarHBondContact O-N 3.49Å; A825-D827 VanDerWaalsContact C-N 3.33Å; A825-D827 PolarHBondContact O-N 3.05Å; A825-Y828 HydrophobicContact CB-CD2 4.08Å; A825-Y828 HydrophobicContact CB-CG 4.2Å; A825-Y828 WeakPolarHBondContact O-CB 3.39Å; A825-Y828 PolarHBondContact O-N 2.93Å; A825-Y828 VanDerWaalsContact O-N 3.1Å; A825-Y870 HydrophobicContact CB-CE1 3.74Å; A825-Y870 WeakPolarHBondContact CB-OH 3.45Å
826P82Confident84.7Confident71 Ų7161.8 Ų61.846%0.46132%0.322SS..THydrogen-bonded Turntrans-63.1-29.5-169.2-27.735.4000116.3L822L822-P826 WeakPolarHBondContact CD2-O 3.11Å; L822-P826 WeakPolarHBondContact O-CA 3.42Å; L822-P826 WeakPolarHBondContact O-CD 3.28Å; L822-P826 WeakPolarHBondContact O-CG 3.4Å
827D84.1Confident84.7Confident65 Ų6561.6 Ų61.635%0.34832%0.322SS..THydrogen-bonded Turntrans-104.414.1179.261.9-20.4000112.2A825 Y829 D830 I831 Y870A825-D827 VanDerWaalsContact C-N 3.33Å; A825-D827 PolarHBondContact O-N 3.05Å; D827-Y829 PolarHBondContact O-N 3.15Å; D827-D830 WeakPolarHBondContact O-CB 3.22Å; D827-D830 PolarHBondContact O-N 2.61Å; D827-I831 PolarHBondContact O-N 3.3Å; D827-Y870 WeakPolarHBondContact OD1-CE2 3.31Å; D827-Y870 PolarHBondContact OD1-OH 2.87Å
828Y85.9Confident84.9Confident13 Ų1359.4 Ų59.45%0.05131%0.311CS..Hα-helixtrans-58.2-48.7-174.3-169.1-106.2000112.4V820 A825 D830 I831 I832 P835 Y870V820-Y828 HydrophobicContact CB-CD1 3.97Å; V820-Y828 HydrophobicContact CB-CD2 4.42Å; V820-Y828 HydrophobicContact CB-CE1 3.8Å; V820-Y828 HydrophobicContact CB-CE2 4.28Å; V820-Y828 HydrophobicContact CB-CG 4.27Å; V820-Y828 HydrophobicContact CG1-CD1 3.87Å; V820-Y828 HydrophobicContact CG1-CD2 3.81Å; V820-Y828 HydrophobicContact CG1-CE1 4.15Å; V820-Y828 HydrophobicContact CG1-CE2 4.11Å; V820-Y828 HydrophobicContact CG1-CG 3.69Å; V820-Y828 HydrophobicContact CG2-CE1 4.16Å; V820-Y828 HydrophobicContact CG2-CE2 4.1Å; A825-Y828 HydrophobicContact CB-CD2 4.08Å; A825-Y828 HydrophobicContact CB-CG 4.2Å; A825-Y828 WeakPolarHBondContact O-CB 3.39Å; A825-Y828 PolarHBondContact O-N 2.93Å; A825-Y828 VanDerWaalsContact O-N 3.1Å; Y828-D830 PolarHBondContact O-N 3.4Å; Y828-I831 PolarHBondContact O-N 3.12Å; Y828-I832 HydrophobicContact CD1-CB 4.23Å; Y828-I832 HydrophobicContact CD2-CB 4.49Å; Y828-I832 HydrophobicContact CD2-CG1 4.03Å; Y828-I832 HydrophobicContact CE1-CB 3.92Å; Y828-I832 HydrophobicContact CE1-CG1 4.3Å; Y828-I832 HydrophobicContact CE1-CG2 3.89Å; Y828-I832 HydrophobicContact CE2-CB 4.19Å; Y828-I832 HydrophobicContact CE2-CG1 3.64Å; Y828-I832 WeakPolarHBondContact O-CA 3.2Å; Y828-I832 WeakPolarHBondContact O-CB 3.49Å; Y828-I832 PolarHBondContact O-N 3.07Å; Y828-P835 HydrophobicContact CE1-CB 4.2Å; Y828-Y870 AromaticContact CD2-CD1 3.92Å; Y828-Y870 HydrophobicContact CD2-CD1 3.92Å; Y828-Y870 AromaticContact CD2-CD2 3.62Å; Y828-Y870 HydrophobicContact CD2-CD2 3.62Å; Y828-Y870 HydrophobicContact CD2-CE1 4.17Å; Y828-Y870 AromaticContact CD2-CE2 3.89Å; Y828-Y870 HydrophobicContact CD2-CE2 3.89Å; Y828-Y870 AromaticContact CD2-CG 3.65Å; Y828-Y870 HydrophobicContact CD2-CG 3.65Å; Y828-Y870 HydrophobicContact CE2-CD1 4.22Å; Y828-Y870 HydrophobicContact CE2-CD2 4.23Å; Y828-Y870 AromaticContact CE2-CG 3.89Å; Y828-Y870 HydrophobicContact CE2-CG 3.89Å
829Y80.7Confident85Confident102 Ų10252.5 Ų52.540%0.429%0.287SS..Hα-helixtrans-77.2-10.2-177-61.2-71.6000113.6V820 L822 D827 P835V820-Y829 PolarHBondContact O-OH 3.38Å; L822-Y829 HydrophobicContact CD2-CD2 3.59Å; L822-Y829 HydrophobicContact CD2-CE2 4.05Å; L822-Y829 HydrophobicContact CG-CD2 3.99Å; L822-Y829 HydrophobicContact CG-CE2 4Å; D827-Y829 PolarHBondContact O-N 3.15Å; Y829-P835 HydrophobicContact CD1-CG 4.27Å; Y829-P835 HydrophobicContact CE1-CB 3.81Å; Y829-P835 HydrophobicContact CE1-CG 3.76Å
830D75.8Confident85.1Confident142 Ų14252.4 Ų52.476%0.75929%0.286SS*.Hα-helixtrans-79.3-29170.3-63.2-36.9000111.6D827 Y828D827-D830 WeakPolarHBondContact O-CB 3.22Å; D827-D830 PolarHBondContact O-N 2.61Å; Y828-D830 PolarHBondContact O-N 3.4Å
831I77.8Confident85.5Confident71 Ų7151.4 Ų51.436%0.36428%0.28SS..Hα-helixtrans-99-48.9-177.7-59.5177000111D827 Y828 T869 Y870D827-I831 PolarHBondContact O-N 3.3Å; Y828-I831 PolarHBondContact O-N 3.12Å; I831-T869 HydrophobicContact CG2-CG2 4.27Å; I831-Y870 HydrophobicContact CB-CD2 4.23Å; I831-Y870 HydrophobicContact CD1-CD2 3.97Å; I831-Y870 HydrophobicContact CD1-CE2 3.9Å; I831-Y870 HydrophobicContact CG2-CD2 4.37Å
832I80.6Confident85.8Confident4 Ų450.1 Ų50.12%0.02127%0.268CS..  trans-96106.6-175.6-58.5-54.6000110Y828 N866 T869 Y870Y828-I832 HydrophobicContact CD1-CB 4.23Å; Y828-I832 HydrophobicContact CD2-CB 4.49Å; Y828-I832 HydrophobicContact CD2-CG1 4.03Å; Y828-I832 HydrophobicContact CE1-CB 3.92Å; Y828-I832 HydrophobicContact CE1-CG1 4.3Å; Y828-I832 HydrophobicContact CE1-CG2 3.89Å; Y828-I832 HydrophobicContact CE2-CB 4.19Å; Y828-I832 HydrophobicContact CE2-CG1 3.64Å; Y828-I832 WeakPolarHBondContact O-CA 3.2Å; Y828-I832 WeakPolarHBondContact O-CB 3.49Å; Y828-I832 PolarHBondContact O-N 3.07Å; I832-N866 HydrophobicContact CD1-CB 4.18Å; I832-N866 HydrophobicContact CG2-CB 3.92Å; I832-N866 VanDerWaalsContact CG2-CG 3.43Å; I832-T869 HydrophobicContact CD1-CG2 3.77Å; I832-Y870 HydrophobicContact CG1-CD2 4.33Å
833V75.3Confident86.3Confident52 Ų5249.3 Ų49.332%0.31526%0.261SS..SBendtrans-77.9-24-173.6-176.70000113.2F94 R101F94-V833 HydrophobicContact CZ-CG2 4.37Å; R101-V833 PolarHBondContact NH2-O 2.87Å; R101-V833 VanDerWaalsContact NH2-O 3.1Å
834F78.3Confident87Confident20 Ų2044.3 Ų44.39%0.08823%0.231CC..SBendtrans-135.275.8-173.7-61.6-89.8000110.3F94 L97 R862 N866F94-F834 HydrophobicContact CE2-CE2 4.36Å; L97-F834 HydrophobicContact CD2-CE1 4.49Å; L97-F834 HydrophobicContact CD2-CE2 3.75Å; L97-F834 HydrophobicContact CD2-CZ 3.51Å; L97-F834 HydrophobicContact CG-CZ 3.91Å; F834-R862 WeakPolarHBondContact O-CD 3.32Å; F834-N866 PolarHBondContact O-ND2 3.37Å
835P88.3Confident87.5Confident57 Ų5740.9 Ų40.937%0.3722%0.215SC..  trans-58.2142.5175.830.3-40.3000110.7Y828 Y829Y828-P835 HydrophobicContact CE1-CB 4.2Å; Y829-P835 HydrophobicContact CD1-CG 4.27Å; Y829-P835 HydrophobicContact CE1-CB 3.81Å; Y829-P835 HydrophobicContact CE1-CG 3.76Å
836I92Very high87.7Confident12 Ų1246.6 Ų46.66%0.06224%0.24CC..  trans-156.1152.8172.8-166.764.7000108.5T840 M841 D859 R862 M863I836-T840 HydrophobicContact CD1-CG2 3.6Å; I836-M841 HydrophobicContact CD1-CG 3.98Å; I836-M841 HydrophobicContact CG1-CG 3.87Å; I836-M841 HydrophobicContact CG1-SD 4.17Å; I836-D859 HydrophobicContact CG1-CB 4.36Å; I836-R862 HydrophobicContact CG2-CB 3.88Å; I836-R862 HydrophobicContact CG2-CG 3.95Å; I836-M863 HydrophobicContact CG2-CB 3.69Å; I836-M863 HydrophobicContact CG2-CG 4.28Å
837D96.9Very high87.8Confident6 Ų647 Ų473%0.03225%0.245CC..  trans-153.6166-179.565.696.5000109.8F816 P819 G839 T840 M841F816-D837 WeakPolarHBondContact O-CB 3.43Å; P819-D837 WeakPolarHBondContact CD-OD1 3.37Å; P819-D837 WeakPolarHBondContact CG-OD2 3.44Å; D837-G839 VanDerWaalsContact C-N 3.27Å; D837-G839 PolarHBondContact O-N 2.89Å; D837-G839 VanDerWaalsContact OD1-CA 3.26Å; D837-G839 WeakPolarHBondContact OD1-CA 3.42Å; D837-G839 PolarHBondContact OD1-N 2.99Å; D837-T840 PolarHBondContact O-N 3.15Å; D837-T840 PolarHBondContact OD1-N 2.98Å; D837-T840 VanDerWaalsContact OD2-CB 3.32Å; D837-T840 WeakPolarHBondContact OD2-CB 3.27Å; D837-T840 PolarHBondContact OD2-OG1 3.15Å; D837-M841 VanDerWaalsContact O-CG 3.32Å; D837-M841 WeakPolarHBondContact O-CG 3.2Å; D837-M841 PolarHBondContact O-N 3.3Å
838L97.4Very high87.8Confident1 Ų146.6 Ų46.61%0.00524%0.242CC..Hα-helixtrans-62.6-30.9-178.5-69166.7000113.2L804 L807 R808 F816 W842 M860 M863L804-L838 HydrophobicContact CD1-CD2 3.62Å; L807-L838 HydrophobicContact CB-CD2 4.08Å; L807-L838 HydrophobicContact CD2-CD2 4.27Å; R808-L838 HydrophobicContact CG-CB 3.96Å; R808-L838 HydrophobicContact CG-CD1 4.15Å; R808-L838 HydrophobicContact CG-CD2 4.38Å; R808-L838 HydrophobicContact CG-CG 4.41Å; F816-L838 HydrophobicContact CB-CD1 3.88Å; F816-L838 HydrophobicContact CB-CG 4.21Å; F816-L838 VanDerWaalsContact O-CB 3.26Å; F816-L838 WeakPolarHBondContact O-CB 3.33Å; F816-L838 WeakPolarHBondContact O-CG 3.33Å; F816-L838 PolarHBondContact O-N 3.21Å; L838-W842 WeakPolarHBondContact O-CB 3.36Å; L838-W842 PolarHBondContact O-N 3.44Å; L838-M860 HydrophobicContact CD2-CE 3.42Å; L838-M860 VanDerWaalsContact CD2-CE 3.42Å; L838-M860 HydrophobicContact CG-CE 4.38Å; L838-M863 HydrophobicContact CD2-CE 4.28Å; L838-M863 HydrophobicContact CD2-SD 4.33Å; L838-M863 HydrophobicContact CG-CE 4.26Å; L838-M863 HydrophobicContact CG-SD 3.93Å
839G94.2Very high87.7Confident20 Ų2048.1 Ų48.121%0.20625%0.249CC..Hα-helixtrans-67.4-49.3175.600000111Q817 D837 M841 W842 E843Q817-G839 WeakPolarHBondContact O-CA 3.5Å; Q817-G839 PolarHBondContact O-N 3.3Å; D837-G839 VanDerWaalsContact C-N 3.27Å; D837-G839 PolarHBondContact O-N 2.89Å; D837-G839 VanDerWaalsContact OD1-CA 3.26Å; D837-G839 WeakPolarHBondContact OD1-CA 3.42Å; D837-G839 PolarHBondContact OD1-N 2.99Å; G839-M841 VanDerWaalsContact C-N 3.29Å; G839-M841 PolarHBondContact O-N 2.94Å; G839-W842 VanDerWaalsContact O-CB 3.28Å; G839-W842 WeakPolarHBondContact O-CB 3.27Å; G839-W842 PolarHBondContact O-N 3.44Å; G839-E843 PolarHBondContact O-N 3.36Å; G839-E843 VanDerWaalsContact O-N 3.12Å
840T94Very high88.1Confident46 Ų4643.4 Ų43.428%0.28223%0.23SC..Hα-helixtrans-58.7-41173.9-61.10000111.9I836 D837 W842 E843 R844I836-T840 HydrophobicContact CD1-CG2 3.6Å; D837-T840 PolarHBondContact O-N 3.15Å; D837-T840 PolarHBondContact OD1-N 2.98Å; D837-T840 VanDerWaalsContact OD2-CB 3.32Å; D837-T840 WeakPolarHBondContact OD2-CB 3.27Å; D837-T840 PolarHBondContact OD2-OG1 3.15Å; T840-W842 VanDerWaalsContact C-N 3.28Å; T840-W842 PolarHBondContact O-N 2.99Å; T840-E843 PolarHBondContact O-N 2.81Å; T840-R844 WeakPolarHBondContact O-CG 3.43Å; T840-R844 PolarHBondContact O-N 2.89Å
841M96.4Very high88.3Confident0 Ų039.9 Ų39.90%021%0.214CC..Hα-helixtrans-67.1-29.9176.3-66.6-175.963.900112.8L804 I836 D837 G839 L845 Y850 F856 D859 M860L804-M841 HydrophobicContact CD1-CB 4.34Å; L804-M841 HydrophobicContact CD2-CB 4.34Å; I836-M841 HydrophobicContact CD1-CG 3.98Å; I836-M841 HydrophobicContact CG1-CG 3.87Å; I836-M841 HydrophobicContact CG1-SD 4.17Å; D837-M841 VanDerWaalsContact O-CG 3.32Å; D837-M841 WeakPolarHBondContact O-CG 3.2Å; D837-M841 PolarHBondContact O-N 3.3Å; G839-M841 VanDerWaalsContact C-N 3.29Å; G839-M841 PolarHBondContact O-N 2.94Å; M841-L845 WeakPolarHBondContact O-CB 3.34Å; M841-L845 PolarHBondContact O-N 3.43Å; M841-Y850 WeakPolarHBondContact CA-OH 3.39Å; M841-Y850 WeakPolarHBondContact CB-OH 3.04Å; M841-Y850 WeakPolarHBondContact CG-OH 3.37Å; M841-Y850 WeakPolarHBondContact O-CE2 3.37Å; M841-F856 HydrophobicContact CE-CD2 3.59Å; M841-F856 HydrophobicContact CE-CE2 3.5Å; M841-F856 HydrophobicContact CE-CZ 4.48Å; M841-D859 HydrophobicContact CE-CB 3.54Å; M841-D859 HydrophobicContact CG-CB 4.22Å; M841-D859 HydrophobicContact SD-CB 3.79Å; M841-M860 HydrophobicContact CE-CB 4.33Å; M841-M860 HydrophobicContact CE-CE 3.66Å; M841-M860 HydrophobicContact CE-CG 3.75Å; M841-M860 HydrophobicContact SD-CE 3.17Å; M841-M860 WeakPolarHBondContact SD-CE 3.36Å; M841-M860 HydrophobicContact SD-CG 4.41Å
842W95.8Very high88.6Confident34 Ų3438.4 Ų38.413%0.12921%0.208CC..Hα-helixtrans-67.3-43.8175.1-173.1-100000112R801 L804 N805 R808 L838 G839 T840 L845 K846R801-W842 HydrophobicContact CG-CH2 4.21Å; L804-W842 HydrophobicContact CB-CE3 4.48Å; L804-W842 HydrophobicContact CD2-CB 4.27Å; L804-W842 HydrophobicContact CD2-CD2 4.48Å; L804-W842 HydrophobicContact CD2-CE3 3.62Å; L804-W842 HydrophobicContact CD2-CZ3 4.35Å; L804-W842 HydrophobicContact CG-CE3 3.87Å; L804-W842 HydrophobicContact CG-CZ3 4.35Å; N805-W842 WeakPolarHBondContact OD1-CH2 3.35Å; N805-W842 WeakPolarHBondContact OD1-CZ3 3.5Å; R808-W842 VanDerWaalsContact NH1-CE2 3.27Å; R808-W842 VanDerWaalsContact NH1-CE3 3.3Å; L838-W842 WeakPolarHBondContact O-CB 3.36Å; L838-W842 PolarHBondContact O-N 3.44Å; G839-W842 VanDerWaalsContact O-CB 3.28Å; G839-W842 WeakPolarHBondContact O-CB 3.27Å; G839-W842 PolarHBondContact O-N 3.44Å; T840-W842 VanDerWaalsContact C-N 3.28Å; T840-W842 PolarHBondContact O-N 2.99Å; W842-L845 WeakPolarHBondContact O-CB 3.17Å; W842-L845 PolarHBondContact O-N 2.68Å; W842-K846 VanDerWaalsContact NE1-CE 3.31Å; W842-K846 PolarHBondContact O-N 2.9Å; W842-K846 VanDerWaalsContact O-N 3.1Å
843E91.5Very high89.1Confident79 Ų7940.6 Ų40.637%0.36922%0.217SC..Hα-helixtrans-66.9-40.1176.1-62.2-49.3130.800111.7G839 T840 L845 K846 S847G839-E843 PolarHBondContact O-N 3.36Å; G839-E843 VanDerWaalsContact O-N 3.12Å; T840-E843 PolarHBondContact O-N 2.81Å; E843-L845 VanDerWaalsContact C-N 3.29Å; E843-L845 PolarHBondContact O-N 3.1Å; E843-K846 VanDerWaalsContact CD-NZ 3.32Å; E843-K846 PolarHBondContact O-N 3.08Å; E843-K846 IonicContact OE1-NZ 2.67Å; E843-K846 PolarHBondContact OE1-NZ 3.38Å; E843-K846 VanDerWaalsContact OE2-CD 3.27Å; E843-K846 WeakPolarHBondContact OE2-CD 3.38Å; E843-K846 IonicContact OE2-NZ 2.75Å; E843-K846 PolarHBondContact OE2-NZ 2.77Å; E843-S847 PolarHBondContact O-N 2.76Å
844R93.6Very high89.4Confident50 Ų5039.3 Ų39.319%0.18921%0.21CC..Hα-helixtrans-58-39.9171.5-77.2178.1174.5-143.4-15.2112.7T840 S847 N848 Y849 Y850 D859T840-R844 WeakPolarHBondContact O-CG 3.43Å; T840-R844 PolarHBondContact O-N 2.89Å; R844-S847 PolarHBondContact O-N 2.96Å; R844-S847 PolarHBondContact O-OG 3.21Å; R844-S847 VanDerWaalsContact O-OG 3.09Å; R844-N848 PolarHBondContact O-N 3.19Å; R844-Y849 HydrophobicContact CB-CD1 3.99Å; R844-Y849 HydrophobicContact CB-CG 4.12Å; R844-Y849 HydrophobicContact CG-CD1 4.03Å; R844-Y849 HydrophobicContact CG-CG 4.12Å; R844-Y849 WeakPolarHBondContact O-CB 3.14Å; R844-Y849 PolarHBondContact O-N 3.41Å; R844-Y850 HydrophobicContact CB-CE2 3.73Å; R844-Y850 WeakPolarHBondContact CD-OH 3.38Å; R844-D859 WeakPolarHBondContact CD-OD2 3.01Å; R844-D859 IonicContact CZ-OD2 3.39Å; R844-D859 IonicContact NE-OD2 3.17Å; R844-D859 IonicContact NH1-OD1 2.89Å; R844-D859 PolarHBondContact NH1-OD1 2.86Å; R844-D859 IonicContact NH1-OD2 2.75Å; R844-D859 PolarHBondContact NH1-OD2 3.47Å
845L92.7Very high89.6Confident12 Ų1239.3 Ų39.36%0.06321%0.211CC..Hα-helixtrans-64.9-44.6177-175.668.8000111.5A797 I800 R801 L804 M841 W842 E843 S847 N848 Y850A797-L845 HydrophobicContact CB-CD1 3.81Å; I800-L845 HydrophobicContact CB-CD1 3.9Å; I800-L845 HydrophobicContact CG2-CD1 3.66Å; I800-L845 HydrophobicContact CG2-CD2 4.25Å; R801-L845 HydrophobicContact CB-CD2 3.92Å; R801-L845 HydrophobicContact CG-CD2 4.31Å; L804-L845 HydrophobicContact CD2-CB 4.33Å; L804-L845 HydrophobicContact CD2-CD2 3.98Å; M841-L845 WeakPolarHBondContact O-CB 3.34Å; M841-L845 PolarHBondContact O-N 3.43Å; W842-L845 WeakPolarHBondContact O-CB 3.17Å; W842-L845 PolarHBondContact O-N 2.68Å; E843-L845 VanDerWaalsContact C-N 3.29Å; E843-L845 PolarHBondContact O-N 3.1Å; L845-S847 VanDerWaalsContact C-N 3.28Å; L845-S847 PolarHBondContact O-N 2.89Å; L845-N848 PolarHBondContact O-N 3.15Å; L845-Y850 HydrophobicContact CB-CD2 4.19Å; L845-Y850 HydrophobicContact CB-CE2 4.21Å; L845-Y850 HydrophobicContact CD1-CD2 3.97Å
846K89.5Confident89.9Confident121 Ų12136.6 Ų36.653%0.52619%0.193SC..Hα-helixtrans-61.3-35.7176.7-74.1170.8174.9167.80112.7W842 E843 N848W842-K846 VanDerWaalsContact NE1-CE 3.31Å; W842-K846 PolarHBondContact O-N 2.9Å; W842-K846 VanDerWaalsContact O-N 3.1Å; E843-K846 VanDerWaalsContact CD-NZ 3.32Å; E843-K846 PolarHBondContact O-N 3.08Å; E843-K846 IonicContact OE1-NZ 2.67Å; E843-K846 PolarHBondContact OE1-NZ 3.38Å; E843-K846 VanDerWaalsContact OE2-CD 3.27Å; E843-K846 WeakPolarHBondContact OE2-CD 3.38Å; E843-K846 IonicContact OE2-NZ 2.75Å; E843-K846 PolarHBondContact OE2-NZ 2.77Å; K846-N848 PolarHBondContact O-N 3.26Å
847S83.7Confident89.9Confident80 Ų8037.1 Ų37.156%0.55920%0.196SC*.THydrogen-bonded Turntrans-81.810.7179.377.90000113.7E843 R844 L845 Y849E843-S847 PolarHBondContact O-N 2.76Å; R844-S847 PolarHBondContact O-N 2.96Å; R844-S847 PolarHBondContact O-OG 3.21Å; R844-S847 VanDerWaalsContact O-OG 3.09Å; L845-S847 VanDerWaalsContact C-N 3.28Å; L845-S847 PolarHBondContact O-N 2.89Å; S847-Y849 PolarHBondContact O-N 2.53Å
848N83.7Confident89.3Confident56 Ų5637.1 Ų37.130%0.29920%0.197SC..THydrogen-bonded Turntrans54.631-174.9-58.1-60.3000114.1A793 R844 L845 K846 Y850A793-N848 HydrophobicContact CB-CB 4.45Å; R844-N848 PolarHBondContact O-N 3.19Å; L845-N848 PolarHBondContact O-N 3.15Å; K846-N848 PolarHBondContact O-N 3.26Å; N848-Y850 VanDerWaalsContact C-N 3.33Å; N848-Y850 PolarHBondContact O-N 3.1Å
849Y84Confident89.1Confident46 Ų4637.3 Ų37.318%0.1820%0.198CC..  trans-64.6-35.3-178.8176.7-99.5000112.9E75 R844 S847 V851E75-Y849 WeakPolarHBondContact OE1-CE2 3.49Å; E75-Y849 PolarHBondContact OE1-OH 3.25Å; R844-Y849 HydrophobicContact CB-CD1 3.99Å; R844-Y849 HydrophobicContact CB-CG 4.12Å; R844-Y849 HydrophobicContact CG-CD1 4.03Å; R844-Y849 HydrophobicContact CG-CG 4.12Å; R844-Y849 WeakPolarHBondContact O-CB 3.14Å; R844-Y849 PolarHBondContact O-N 3.41Å; S847-Y849 PolarHBondContact O-N 2.53Å; Y849-V851 VanDerWaalsContact C-N 3.3Å; Y849-V851 PolarHBondContact O-N 2.95Å
850Y87.9Confident89.2Confident3 Ų336.4 Ų36.41%0.01219%0.189CC..  trans-81.173.5-176.9-60-58.7000111.7L796 M841 R844 L845 N848 T852 L855 F856 D859L796-Y850 VanDerWaalsContact CD2-O 3.29Å; L796-Y850 WeakPolarHBondContact CD2-O 3.25Å; M841-Y850 WeakPolarHBondContact CA-OH 3.39Å; M841-Y850 WeakPolarHBondContact CB-OH 3.04Å; M841-Y850 WeakPolarHBondContact CG-OH 3.37Å; M841-Y850 WeakPolarHBondContact O-CE2 3.37Å; R844-Y850 HydrophobicContact CB-CE2 3.73Å; R844-Y850 WeakPolarHBondContact CD-OH 3.38Å; L845-Y850 HydrophobicContact CB-CD2 4.19Å; L845-Y850 HydrophobicContact CB-CE2 4.21Å; L845-Y850 HydrophobicContact CD1-CD2 3.97Å; N848-Y850 VanDerWaalsContact C-N 3.33Å; N848-Y850 PolarHBondContact O-N 3.1Å; Y850-T852 PolarHBondContact O-N 2.9Å; Y850-L855 HydrophobicContact CD1-CB 3.92Å; Y850-F856 HydrophobicContact CD1-CB 3.81Å; Y850-F856 HydrophobicContact CD2-CD2 4.12Å; Y850-F856 HydrophobicContact CE1-CB 4.22Å; Y850-F856 HydrophobicContact CE1-CD2 4.34Å; Y850-F856 AromaticContact CE2-CD2 3.94Å; Y850-F856 HydrophobicContact CE2-CD2 3.94Å; Y850-F856 HydrophobicContact CG-CB 3.99Å; Y850-F856 HydrophobicContact CG-CD2 4.41Å; Y850-D859 HydrophobicContact CE1-CB 4.37Å; Y850-D859 WeakPolarHBondContact CE1-OD2 2.98Å; Y850-D859 PolarHBondContact OH-OD2 2.69Å
851V81.4Confident89.2Confident68 Ų6836.9 Ų36.941%0.41219%0.188SC..SBendtrans-69.8-20.1176.9-63.20000113.3W789 A793 Y849 L855W789-V851 HydrophobicContact CE3-CG1 4.4Å; W789-V851 HydrophobicContact CZ3-CG1 4.41Å; A793-V851 HydrophobicContact CB-CG1 4.04Å; Y849-V851 VanDerWaalsContact C-N 3.3Å; Y849-V851 PolarHBondContact O-N 2.95Å; V851-L855 HydrophobicContact CG2-CD1 3.65Å
852T83.8Confident89Confident39 Ų3937.9 Ų37.924%0.23919%0.192CC..SBendtrans-133.7149.7172.566.80000110.8V344 Y850 S854 L855V344-T852 HydrophobicContact CG1-CG2 4.42Å; Y850-T852 PolarHBondContact O-N 2.9Å; T852-S854 PolarHBondContact O-N 3.4Å; T852-L855 PolarHBondContact O-N 3.03Å; T852-L855 VanDerWaalsContact O-N 3.17Å
853K90Very high89Confident51 Ų5136.6 Ų36.622%0.22219%0.187CC..Hα-helixtrans-59.3-29.317765.3-173.5-168.5162.40112.5L796 L855 F856 I857 L897L796-K853 HydrophobicContact CD1-CB 4.34Å; K853-L855 PolarHBondContact O-N 2.96Å; K853-F856 PolarHBondContact O-N 2.6Å; K853-I857 WeakPolarHBondContact O-CG1 3.26Å; K853-I857 PolarHBondContact O-N 3.43Å; K853-L897 HydrophobicContact CD-CD2 4.41Å; K853-L897 WeakPolarHBondContact CD-O 2.85Å; K853-L897 PolarHBondContact NZ-O 3.12Å
854S82.1Confident89.2Confident25 Ų2532.8 Ų32.818%0.17517%0.17CC..Hα-helixtrans-61-39.4177.1-57.10000113.1T852 I857 A858T852-S854 PolarHBondContact O-N 3.4Å; S854-I857 PolarHBondContact O-N 3.1Å; S854-A858 VanDerWaalsContact O-CB 3.27Å; S854-A858 WeakPolarHBondContact O-CB 3.49Å; S854-A858 PolarHBondContact O-N 3.04Å
855L83.8Confident89.1Confident19 Ų1935.5 Ų35.510%0.09918%0.184CC..Hα-helixtrans-64.3-42.7178.1-71.2169.6000111.5I79 Y850 V851 T852 K853 A858 D859I79-L855 HydrophobicContact CD1-CD2 4.19Å; Y850-L855 HydrophobicContact CD1-CB 3.92Å; V851-L855 HydrophobicContact CG2-CD1 3.65Å; T852-L855 PolarHBondContact O-N 3.03Å; T852-L855 VanDerWaalsContact O-N 3.17Å; K853-L855 PolarHBondContact O-N 2.96Å; L855-A858 PolarHBondContact O-N 3.03Å; L855-D859 PolarHBondContact O-N 3.23Å; L855-D859 VanDerWaalsContact O-N 3.11Å
856F93.4Very high89Confident0 Ų035.4 Ų35.40%018%0.184CC..Hα-helixtrans-64.9-45.1177.7177.4-115.3000112.1I800 I803 L804 M841 Y850 K853 A858 D859 M860 F888 M892I800-F856 HydrophobicContact CD1-CB 3.81Å; I800-F856 HydrophobicContact CD1-CD1 4.09Å; I800-F856 HydrophobicContact CD1-CD2 4.48Å; I800-F856 HydrophobicContact CD1-CG 3.89Å; I800-F856 HydrophobicContact CG1-CD1 4.07Å; I800-F856 HydrophobicContact CG1-CE1 4.41Å; I800-F856 HydrophobicContact CG1-CG 4.32Å; I800-F856 HydrophobicContact CG2-CD1 3.94Å; I800-F856 HydrophobicContact CG2-CD2 3.68Å; I800-F856 HydrophobicContact CG2-CE1 3.73Å; I800-F856 HydrophobicContact CG2-CE2 3.48Å; I800-F856 VanDerWaalsContact CG2-CE2 3.48Å; I800-F856 HydrophobicContact CG2-CG 3.91Å; I800-F856 HydrophobicContact CG2-CZ 3.52Å; I803-F856 HydrophobicContact CG2-CE1 4.28Å; I803-F856 HydrophobicContact CG2-CZ 4.45Å; L804-F856 HydrophobicContact CB-CE2 4.44Å; L804-F856 HydrophobicContact CB-CZ 4.35Å; L804-F856 HydrophobicContact CD1-CE2 4.29Å; M841-F856 HydrophobicContact CE-CD2 3.59Å; M841-F856 HydrophobicContact CE-CE2 3.5Å; M841-F856 HydrophobicContact CE-CZ 4.48Å; Y850-F856 HydrophobicContact CD1-CB 3.81Å; Y850-F856 HydrophobicContact CD2-CD2 4.12Å; Y850-F856 HydrophobicContact CE1-CB 4.22Å; Y850-F856 HydrophobicContact CE1-CD2 4.34Å; Y850-F856 AromaticContact CE2-CD2 3.94Å; Y850-F856 HydrophobicContact CE2-CD2 3.94Å; Y850-F856 HydrophobicContact CG-CB 3.99Å; Y850-F856 HydrophobicContact CG-CD2 4.41Å; K853-F856 PolarHBondContact O-N 2.6Å; F856-A858 VanDerWaalsContact C-N 3.31Å; F856-A858 PolarHBondContact O-N 3.2Å; F856-D859 PolarHBondContact O-N 3.26Å; F856-M860 HydrophobicContact CZ-CG 4.35Å; F856-M860 PolarHBondContact O-N 3.49Å; F856-F888 HydrophobicContact CD1-CE2 4.32Å; F856-F888 AromaticContact CE1-CE2 3.64Å; F856-F888 HydrophobicContact CE1-CE2 3.64Å; F856-F888 HydrophobicContact CE1-CZ 4.27Å; F856-F888 HydrophobicContact CZ-CE2 4.21Å; F856-M892 HydrophobicContact CD1-CE 4.38Å; F856-M892 HydrophobicContact CD1-SD 4.11Å; F856-M892 HydrophobicContact CE1-SD 3.88Å
857I92.1Very high89.2Confident23 Ų2330.1 Ų30.112%0.11816%0.162CC..Hα-helixtrans-58.9-44.9174.5-67165.2000110.3K853 S854 D859 M860 M861 F888 M892 W898 P899K853-I857 WeakPolarHBondContact O-CG1 3.26Å; K853-I857 PolarHBondContact O-N 3.43Å; S854-I857 PolarHBondContact O-N 3.1Å; I857-D859 PolarHBondContact O-N 3.27Å; I857-M860 PolarHBondContact O-N 3.01Å; I857-M861 HydrophobicContact CG2-CG 3.97Å; I857-M861 WeakPolarHBondContact O-CB 3.21Å; I857-M861 VanDerWaalsContact O-CG 3.25Å; I857-M861 WeakPolarHBondContact O-CG 3.35Å; I857-M861 PolarHBondContact O-N 3.37Å; I857-F888 HydrophobicContact CG1-CZ 4.21Å; I857-M892 HydrophobicContact CD1-CE 3.78Å; I857-M892 HydrophobicContact CG1-CE 3.61Å; I857-W898 HydrophobicContact CG1-CZ3 4.43Å; I857-W898 HydrophobicContact CG2-CH2 4.46Å; I857-W898 HydrophobicContact CG2-CZ3 4.28Å; I857-P899 HydrophobicContact CD1-CG 4.48Å
858A84.8Confident89.8Confident7 Ų728.6 Ų28.66%0.05814%0.144CC..Hα-helixtrans-62.7-41.5-176.900000112.3Y78 I79 S854 L855 F856 R862Y78-A858 HydrophobicContact CD1-CB 4.19Å; Y78-A858 HydrophobicContact CE1-CB 3.81Å; Y78-A858 PolarHBondContact OH-O 3Å; I79-A858 HydrophobicContact CG1-CB 4.36Å; S854-A858 VanDerWaalsContact O-CB 3.27Å; S854-A858 WeakPolarHBondContact O-CB 3.49Å; S854-A858 PolarHBondContact O-N 3.04Å; L855-A858 PolarHBondContact O-N 3.03Å; F856-A858 VanDerWaalsContact C-N 3.31Å; F856-A858 PolarHBondContact O-N 3.2Å; A858-R862 WeakPolarHBondContact O-CB 3.5Å; A858-R862 PolarHBondContact O-N 3.35Å
859D92.4Very high90Very high5 Ų529.2 Ų29.23%0.02715%0.15CC..Hα-helixtrans-65.3-42.2173.8-82.12.1000111.9I836 M841 R844 Y850 L855 F856 I857 R862 M863I836-D859 HydrophobicContact CG1-CB 4.36Å; M841-D859 HydrophobicContact CE-CB 3.54Å; M841-D859 HydrophobicContact CG-CB 4.22Å; M841-D859 HydrophobicContact SD-CB 3.79Å; R844-D859 WeakPolarHBondContact CD-OD2 3.01Å; R844-D859 IonicContact CZ-OD2 3.39Å; R844-D859 IonicContact NE-OD2 3.17Å; R844-D859 IonicContact NH1-OD1 2.89Å; R844-D859 PolarHBondContact NH1-OD1 2.86Å; R844-D859 IonicContact NH1-OD2 2.75Å; R844-D859 PolarHBondContact NH1-OD2 3.47Å; Y850-D859 HydrophobicContact CE1-CB 4.37Å; Y850-D859 WeakPolarHBondContact CE1-OD2 2.98Å; Y850-D859 PolarHBondContact OH-OD2 2.69Å; L855-D859 PolarHBondContact O-N 3.23Å; L855-D859 VanDerWaalsContact O-N 3.11Å; F856-D859 PolarHBondContact O-N 3.26Å; I857-D859 PolarHBondContact O-N 3.27Å; D859-R862 VanDerWaalsContact CG-NH2 3.28Å; D859-R862 WeakPolarHBondContact O-CB 3.26Å; D859-R862 PolarHBondContact O-N 3.36Å; D859-R862 IonicContact OD1-CZ 2.76Å; D859-R862 IonicContact OD1-NH1 2.81Å; D859-R862 IonicContact OD1-NH2 3.88Å; D859-R862 PolarHBondContact OD1-NH2 3.23Å; D859-R862 IonicContact OD2-NH2 3.01Å; D859-M863 PolarHBondContact O-N 3.1Å; D859-M863 VanDerWaalsContact O-N 3.1Å
860M96Very high90.2Very high0 Ų028 Ų280%015%0.145CC..Hα-helixtrans-61.9-51.1176.9-101.3-63105.600112.2L807 L838 M841 F856 I857 R862 M863 F864 F888L807-M860 HydrophobicContact CD2-CE 4.11Å; L807-M860 HydrophobicContact CD2-CG 4.43Å; L807-M860 HydrophobicContact CD2-SD 3.25Å; L807-M860 WeakPolarHBondContact CD2-SD 3.3Å; L838-M860 HydrophobicContact CD2-CE 3.42Å; L838-M860 VanDerWaalsContact CD2-CE 3.42Å; L838-M860 HydrophobicContact CG-CE 4.38Å; M841-M860 HydrophobicContact CE-CB 4.33Å; M841-M860 HydrophobicContact CE-CE 3.66Å; M841-M860 HydrophobicContact CE-CG 3.75Å; M841-M860 HydrophobicContact SD-CE 3.17Å; M841-M860 WeakPolarHBondContact SD-CE 3.36Å; M841-M860 HydrophobicContact SD-CG 4.41Å; F856-M860 HydrophobicContact CZ-CG 4.35Å; F856-M860 PolarHBondContact O-N 3.49Å; I857-M860 PolarHBondContact O-N 3.01Å; M860-R862 PolarHBondContact O-N 2.67Å; M860-M863 HydrophobicContact CE-CE 3.34Å; M860-M863 HydrophobicContact CE-SD 3.7Å; M860-M863 VanDerWaalsContact O-CB 3.3Å; M860-M863 WeakPolarHBondContact O-CB 3.16Å; M860-M863 PolarHBondContact O-N 3.28Å; M860-M863 VanDerWaalsContact O-N 3.12Å; M860-M863 HydrophobicContact SD-CE 3.84Å; M860-F864 WeakPolarHBondContact O-CD2 3.4Å; M860-F864 PolarHBondContact O-N 3.28Å; M860-F864 HydrophobicContact SD-CE2 3.87Å; M860-F864 HydrophobicContact SD-CZ 3.82Å; M860-F888 HydrophobicContact CB-CD1 4.12Å; M860-F888 HydrophobicContact CB-CE1 3.62Å; M860-F888 HydrophobicContact CB-CE2 4.13Å; M860-F888 HydrophobicContact CB-CZ 3.63Å; M860-F888 HydrophobicContact CG-CD1 4.29Å; M860-F888 HydrophobicContact CG-CD2 3.91Å; M860-F888 HydrophobicContact CG-CE1 4.01Å; M860-F888 HydrophobicContact CG-CE2 3.63Å; M860-F888 HydrophobicContact CG-CG 4.24Å; M860-F888 HydrophobicContact CG-CZ 3.68Å; M860-F888 HydrophobicContact SD-CD2 4.29Å; M860-F888 HydrophobicContact SD-CG 4.36Å
861M94.1Very high90.3Very high56 Ų5628.9 Ų28.928%0.27615%0.15SC..Hα-helixtrans-63.4-34.6179.2-64-58.4-72.900111.4I857 M863 F864 H865 E885I857-M861 HydrophobicContact CG2-CG 3.97Å; I857-M861 WeakPolarHBondContact O-CB 3.21Å; I857-M861 VanDerWaalsContact O-CG 3.25Å; I857-M861 WeakPolarHBondContact O-CG 3.35Å; I857-M861 PolarHBondContact O-N 3.37Å; M861-M863 VanDerWaalsContact C-N 3.34Å; M861-M863 PolarHBondContact O-N 2.73Å; M861-F864 PolarHBondContact O-N 3.35Å; M861-H865 VanDerWaalsContact O-CB 3.28Å; M861-H865 WeakPolarHBondContact O-CB 3.35Å; M861-H865 PolarHBondContact O-N 3.4Å; M861-E885 HydrophobicContact CE-CG 4.46Å; M861-E885 WeakPolarHBondContact CE-OE1 3.48Å; M861-E885 HydrophobicContact SD-CG 4.24Å
862R92Very high90.4Very high22 Ų2228.2 Ų28.28%0.08314%0.143CC..Hα-helixtrans-58.6-45.9172.9-166.4167.745-158.3-0.9112.1Y78 F834 I836 A858 D859 M860 F864 H865 N866Y78-R862 HydrophobicContact CE2-CG 4.49Å; Y78-R862 WeakPolarHBondContact OH-CB 3.46Å; Y78-R862 WeakPolarHBondContact OH-CD 3.19Å; Y78-R862 WeakPolarHBondContact OH-CG 3.4Å; F834-R862 WeakPolarHBondContact O-CD 3.32Å; I836-R862 HydrophobicContact CG2-CB 3.88Å; I836-R862 HydrophobicContact CG2-CG 3.95Å; A858-R862 WeakPolarHBondContact O-CB 3.5Å; A858-R862 PolarHBondContact O-N 3.35Å; D859-R862 VanDerWaalsContact CG-NH2 3.28Å; D859-R862 WeakPolarHBondContact O-CB 3.26Å; D859-R862 PolarHBondContact O-N 3.36Å; D859-R862 IonicContact OD1-CZ 2.76Å; D859-R862 IonicContact OD1-NH1 2.81Å; D859-R862 IonicContact OD1-NH2 3.88Å; D859-R862 PolarHBondContact OD1-NH2 3.23Å; D859-R862 IonicContact OD2-NH2 3.01Å; M860-R862 PolarHBondContact O-N 2.67Å; R862-F864 VanDerWaalsContact C-N 3.32Å; R862-F864 PolarHBondContact O-N 2.99Å; R862-H865 PolarHBondContact O-N 3.15Å; R862-N866 VanDerWaalsContact O-CB 3.31Å; R862-N866 WeakPolarHBondContact O-CB 3.27Å; R862-N866 PolarHBondContact O-N 3.41Å; R862-N866 PolarHBondContact O-ND2 2.74Å; R862-N866 PolarHBondContact O-OD1 3.03Å
863M96.1Very high90.4Very high6 Ų633.7 Ų33.73%0.0317%0.165CC..Hα-helixtrans-58.3-47-178.1-168.9-177.169.100110.8F816 I836 L838 D859 M860 M861 C867F816-M863 HydrophobicContact CB-CE 4.01Å; F816-M863 HydrophobicContact CB-SD 3.76Å; F816-M863 HydrophobicContact CD1-CE 3.85Å; F816-M863 HydrophobicContact CD1-CG 3.75Å; F816-M863 HydrophobicContact CD1-SD 3.89Å; F816-M863 HydrophobicContact CE1-CG 4.47Å; F816-M863 HydrophobicContact CG-CE 4.07Å; F816-M863 HydrophobicContact CG-SD 4.21Å; I836-M863 HydrophobicContact CG2-CB 3.69Å; I836-M863 HydrophobicContact CG2-CG 4.28Å; L838-M863 HydrophobicContact CD2-CE 4.28Å; L838-M863 HydrophobicContact CD2-SD 4.33Å; L838-M863 HydrophobicContact CG-CE 4.26Å; L838-M863 HydrophobicContact CG-SD 3.93Å; D859-M863 PolarHBondContact O-N 3.1Å; D859-M863 VanDerWaalsContact O-N 3.1Å; M860-M863 HydrophobicContact CE-CE 3.34Å; M860-M863 HydrophobicContact CE-SD 3.7Å; M860-M863 VanDerWaalsContact O-CB 3.3Å; M860-M863 WeakPolarHBondContact O-CB 3.16Å; M860-M863 PolarHBondContact O-N 3.28Å; M860-M863 VanDerWaalsContact O-N 3.12Å; M860-M863 HydrophobicContact SD-CE 3.84Å; M861-M863 VanDerWaalsContact C-N 3.34Å; M861-M863 PolarHBondContact O-N 2.73Å; M863-C867 WeakPolarHBondContact O-CB 3.49Å; M863-C867 PolarHBondContact O-N 2.81Å; M863-C867 VanDerWaalsContact O-N 3.15Å
864F95.9Very high90.2Very high0 Ų035 Ų350%018%0.175CC..Hα-helixtrans-68.1-42176.7-56.2-50.2000112.4F816 M860 M861 R862 C867 R868 A881 L884 E885 F888F816-F864 HydrophobicContact CE1-CD1 4.46Å; M860-F864 WeakPolarHBondContact O-CD2 3.4Å; M860-F864 PolarHBondContact O-N 3.28Å; M860-F864 HydrophobicContact SD-CE2 3.87Å; M860-F864 HydrophobicContact SD-CZ 3.82Å; M861-F864 PolarHBondContact O-N 3.35Å; R862-F864 VanDerWaalsContact C-N 3.32Å; R862-F864 PolarHBondContact O-N 2.99Å; F864-C867 WeakPolarHBondContact O-CB 3.28Å; F864-C867 PolarHBondContact O-N 2.67Å; F864-R868 WeakPolarHBondContact O-CG 3.5Å; F864-R868 PolarHBondContact O-N 3.25Å; F864-A881 HydrophobicContact CB-CB 4.3Å; F864-A881 HydrophobicContact CD1-CB 4.04Å; F864-A881 WeakPolarHBondContact CD1-O 3.36Å; F864-L884 HydrophobicContact CD1-CB 4.42Å; F864-L884 HydrophobicContact CE1-CB 3.43Å; F864-L884 VanDerWaalsContact CE1-CB 3.43Å; F864-L884 HydrophobicContact CE1-CD1 4.35Å; F864-L884 HydrophobicContact CZ-CB 3.83Å; F864-E885 HydrophobicContact CD1-CB 4.41Å; F864-E885 HydrophobicContact CD2-CB 3.63Å; F864-E885 HydrophobicContact CD2-CG 3.85Å; F864-E885 HydrophobicContact CE2-CB 3.82Å; F864-E885 HydrophobicContact CE2-CG 4.24Å; F864-E885 HydrophobicContact CG-CB 3.95Å; F864-E885 HydrophobicContact CG-CG 4.46Å; F864-E885 HydrophobicContact CZ-CB 4.29Å; F864-F888 HydrophobicContact CE2-CB 4.32Å; F864-F888 HydrophobicContact CE2-CD1 4.21Å; F864-F888 HydrophobicContact CE2-CG 4.47Å; F864-F888 HydrophobicContact CZ-CB 4.44Å
865H91.7Very high90.5Very high107 Ų10734.5 Ų34.550%0.49517%0.171SC..Hα-helixtrans-62.6-46177.3-177.578.6000111.9M861 R862 C867 R868 T869M861-H865 VanDerWaalsContact O-CB 3.28Å; M861-H865 WeakPolarHBondContact O-CB 3.35Å; M861-H865 PolarHBondContact O-N 3.4Å; R862-H865 PolarHBondContact O-N 3.15Å; H865-C867 VanDerWaalsContact C-N 3.28Å; H865-C867 PolarHBondContact O-N 3.29Å; H865-R868 PolarHBondContact O-N 2.88Å; H865-R868 VanDerWaalsContact O-N 3.12Å; H865-T869 PolarHBondContact CE1-OG1 3.49Å; H865-T869 PolarHBondContact NE2-OG1 3.07Å; H865-T869 VanDerWaalsContact NE2-OG1 3.15Å; H865-T869 WeakPolarHBondContact O-CB 3.19Å; H865-T869 PolarHBondContact O-N 3.39Å; H865-T869 PolarHBondContact O-OG1 3.2Å
866N90.7Very high90.8Very high10 Ų1039.4 Ų39.45%0.05319%0.189CC..Hα-helixtrans-57.1-44.9175.7-73-11.4000111.2I832 F834 R862 R868 T869 Y870I832-N866 HydrophobicContact CD1-CB 4.18Å; I832-N866 HydrophobicContact CG2-CB 3.92Å; I832-N866 VanDerWaalsContact CG2-CG 3.43Å; F834-N866 PolarHBondContact O-ND2 3.37Å; R862-N866 VanDerWaalsContact O-CB 3.31Å; R862-N866 WeakPolarHBondContact O-CB 3.27Å; R862-N866 PolarHBondContact O-N 3.41Å; R862-N866 PolarHBondContact O-ND2 2.74Å; R862-N866 PolarHBondContact O-OD1 3.03Å; N866-R868 PolarHBondContact O-N 3.28Å; N866-T869 PolarHBondContact O-N 2.81Å; N866-Y870 WeakPolarHBondContact O-CB 3.49Å; N866-Y870 PolarHBondContact O-N 3.48Å
867C94.2Very high90.7Very high10 Ų1040.2 Ų40.27%0.06819%0.193CC..Hα-helixtrans-59.3-45.9176.1-174.10000111.5F816 M863 F864 H865 N871 L877 A881F816-C867 HydrophobicContact CE1-CB 3.82Å; F816-C867 HydrophobicContact CZ-CB 4.32Å; M863-C867 WeakPolarHBondContact O-CB 3.49Å; M863-C867 PolarHBondContact O-N 2.81Å; M863-C867 VanDerWaalsContact O-N 3.15Å; F864-C867 WeakPolarHBondContact O-CB 3.28Å; F864-C867 PolarHBondContact O-N 2.67Å; H865-C867 VanDerWaalsContact C-N 3.28Å; H865-C867 PolarHBondContact O-N 3.29Å; C867-N871 VanDerWaalsContact O-CB 3.25Å; C867-N871 WeakPolarHBondContact O-CB 3.48Å; C867-N871 PolarHBondContact O-N 3.41Å; C867-N871 PolarHBondContact O-ND2 2.95Å; C867-L877 PolarHBondContact SG-O 3.19Å; C867-L877 VanDerWaalsContact SG-O 3.4Å; C867-A881 HydrophobicContact CB-CB 4.05Å
868R95Very high90.8Very high47 Ų4741.4 Ų41.418%0.17720%0.197CC..Hα-helixtrans-69.1-34.2178-72.2-173-78.8-100.65114.1F864 H865 N866 N871 Y878 N882 E885F864-R868 WeakPolarHBondContact O-CG 3.5Å; F864-R868 PolarHBondContact O-N 3.25Å; H865-R868 PolarHBondContact O-N 2.88Å; H865-R868 VanDerWaalsContact O-N 3.12Å; N866-R868 PolarHBondContact O-N 3.28Å; R868-N871 VanDerWaalsContact O-O 3.12Å; R868-Y878 HydrophobicContact CB-CD2 3.88Å; R868-Y878 HydrophobicContact CB-CE2 3.47Å; R868-Y878 VanDerWaalsContact CB-CE2 3.47Å; R868-Y878 HydrophobicContact CG-CD1 4.33Å; R868-Y878 HydrophobicContact CG-CD2 3.7Å; R868-Y878 HydrophobicContact CG-CE1 4.13Å; R868-Y878 HydrophobicContact CG-CE2 3.46Å; R868-Y878 VanDerWaalsContact CG-CE2 3.46Å; R868-Y878 HydrophobicContact CG-CG 4.11Å; R868-N882 WeakPolarHBondContact CD-OD1 3.28Å; R868-N882 PolarHBondContact NH1-OD1 2.88Å; R868-E885 IonicContact CZ-OE1 3.23Å; R868-E885 IonicContact CZ-OE2 2.75Å; R868-E885 IonicContact NH1-OE1 3.6Å; R868-E885 IonicContact NH1-OE2 3.93Å; R868-E885 PolarHBondContact NH1-OE2 3.39Å; R868-E885 IonicContact NH2-OE1 3.7Å; R868-E885 PolarHBondContact NH2-OE1 2.79Å; R868-E885 IonicContact NH2-OE2 3.7Å; R868-E885 PolarHBondContact NH2-OE2 2.97Å
869T88.5Confident91.2Very high69 Ų6948.6 Ų48.642%0.42322%0.222SC..Hα-helixtrans-71.4-36.9179.2-66.60000111.3I831 I832 H865 N866I831-T869 HydrophobicContact CG2-CG2 4.27Å; I832-T869 HydrophobicContact CD1-CG2 3.77Å; H865-T869 PolarHBondContact CE1-OG1 3.49Å; H865-T869 PolarHBondContact NE2-OG1 3.07Å; H865-T869 VanDerWaalsContact NE2-OG1 3.15Å; H865-T869 WeakPolarHBondContact O-CB 3.19Å; H865-T869 PolarHBondContact O-N 3.39Å; H865-T869 PolarHBondContact O-OG1 3.2Å; N866-T869 PolarHBondContact O-N 2.81Å
870Y88.9Confident91.3Very high22 Ų2248.4 Ų48.49%0.08622%0.222CC..Hα-helixtrans-87.6-25.6-179.6-171.1-95.1000114L744 A825 D827 Y828 I831 I832 N866L744-Y870 WeakPolarHBondContact CD2-O 3.32Å; A825-Y870 HydrophobicContact CB-CE1 3.74Å; A825-Y870 WeakPolarHBondContact CB-OH 3.45Å; D827-Y870 WeakPolarHBondContact OD1-CE2 3.31Å; D827-Y870 PolarHBondContact OD1-OH 2.87Å; Y828-Y870 AromaticContact CD2-CD1 3.92Å; Y828-Y870 HydrophobicContact CD2-CD1 3.92Å; Y828-Y870 AromaticContact CD2-CD2 3.62Å; Y828-Y870 HydrophobicContact CD2-CD2 3.62Å; Y828-Y870 HydrophobicContact CD2-CE1 4.17Å; Y828-Y870 AromaticContact CD2-CE2 3.89Å; Y828-Y870 HydrophobicContact CD2-CE2 3.89Å; Y828-Y870 AromaticContact CD2-CG 3.65Å; Y828-Y870 HydrophobicContact CD2-CG 3.65Å; Y828-Y870 HydrophobicContact CE2-CD1 4.22Å; Y828-Y870 HydrophobicContact CE2-CD2 4.23Å; Y828-Y870 AromaticContact CE2-CG 3.89Å; Y828-Y870 HydrophobicContact CE2-CG 3.89Å; I831-Y870 HydrophobicContact CB-CD2 4.23Å; I831-Y870 HydrophobicContact CD1-CD2 3.97Å; I831-Y870 HydrophobicContact CD1-CE2 3.9Å; I831-Y870 HydrophobicContact CG2-CD2 4.37Å; I832-Y870 HydrophobicContact CG1-CD2 4.33Å; N866-Y870 WeakPolarHBondContact O-CB 3.49Å; N866-Y870 PolarHBondContact O-N 3.48Å
871N89.5Confident91.2Very high20 Ų2048.4 Ų48.411%0.10722%0.222CC..SBendtrans-111.4153.4-173.1-61-80000113.1C867 R868 S875 L877C867-N871 VanDerWaalsContact O-CB 3.25Å; C867-N871 WeakPolarHBondContact O-CB 3.48Å; C867-N871 PolarHBondContact O-N 3.41Å; C867-N871 PolarHBondContact O-ND2 2.95Å; R868-N871 VanDerWaalsContact O-O 3.12Å; N871-S875 WeakPolarHBondContact CB-OG 3.47Å; N871-L877 HydrophobicContact CB-CB 4.36Å; N871-L877 VanDerWaalsContact OD1-CD1 3.29Å; N871-L877 WeakPolarHBondContact OD1-CD1 3.42Å
872Q82.8Confident91.2Very high55 Ų5548.1 Ų48.126%0.25722%0.221SC..  trans-65.3148.3175.6-61.4-178.7-30.400111.9L744 D874 S875 Y878L744-Q872 HydrophobicContact CB-CG 3.45Å; L744-Q872 VanDerWaalsContact CB-CG 3.45Å; L744-Q872 HydrophobicContact CD1-CG 3.81Å; L744-Q872 HydrophobicContact CG-CG 4.22Å; Q872-D874 WeakPolarHBondContact CB-OD1 3.45Å; Q872-D874 PolarHBondContact O-N 3.2Å; Q872-S875 WeakPolarHBondContact O-CB 3.25Å; Q872-S875 PolarHBondContact O-N 3.33Å; Q872-S875 PolarHBondContact O-OG 3.49Å; Q872-Y878 WeakPolarHBondContact O-CB 3.11Å
873Q84.9Confident91.4Very high153 Ų15349.2 Ų49.272%0.71523%0.231SC*.THydrogen-bonded Turntrans-59.1-30-177.4-65.5-177.2-100113.7Y878Q873-Y878 HydrophobicContact CB-CE1 4.41Å; Q873-Y878 HydrophobicContact CB-CE2 4.34Å; Q873-Y878 HydrophobicContact CG-CD2 4.44Å; Q873-Y878 HydrophobicContact CG-CE1 4.45Å; Q873-Y878 HydrophobicContact CG-CE2 3.86Å; Q873-Y878 WeakPolarHBondContact O-CD1 3.43Å
874D84.9Confident91.4Very high80 Ų8049 Ų4943%0.42823%0.23SC..THydrogen-bonded Turntrans-85.5-8.5179.569-39.4000113.4Q872 R879Q872-D874 WeakPolarHBondContact CB-OD1 3.45Å; Q872-D874 PolarHBondContact O-N 3.2Å; D874-R879 PolarHBondContact O-NE 2.79Å; D874-R879 PolarHBondContact O-NH2 2.73Å; D874-R879 VanDerWaalsContact O-NH2 3.15Å
875S88.3Confident91.4Very high14 Ų1450.5 Ų50.510%0.09824%0.236CC..SBendtrans-68.7150.5-176.372.80000113N871 Q872 L877 Y878 R879N871-S875 WeakPolarHBondContact CB-OG 3.47Å; Q872-S875 WeakPolarHBondContact O-CB 3.25Å; Q872-S875 PolarHBondContact O-N 3.33Å; Q872-S875 PolarHBondContact O-OG 3.49Å; S875-L877 PolarHBondContact O-N 3.5Å; S875-Y878 PolarHBondContact O-N 3.32Å; S875-Y878 VanDerWaalsContact OG-CB 3.32Å; S875-Y878 WeakPolarHBondContact OG-CB 3.27Å; S875-Y878 PolarHBondContact OG-N 3.08Å; S875-Y878 VanDerWaalsContact OG-N 3.12Å; S875-R879 WeakPolarHBondContact O-CG 3.49Å; S875-R879 PolarHBondContact O-N 3.06Å; S875-R879 VanDerWaalsContact O-N 3.09Å
876Y90.7Very high91.6Very high122 Ų12252.7 Ų52.748%0.47824%0.24SC..Hα-helixtrans-54.1-39.3172.7169-99.8000111.9L812 P815 R879 S880L812-Y876 HydrophobicContact CD2-CE2 4.09Å; L812-Y876 WeakPolarHBondContact CD2-OH 3.5Å; P815-Y876 HydrophobicContact CG-CE1 4.16Å; Y876-R879 PolarHBondContact O-N 3.47Å; Y876-S880 WeakPolarHBondContact CE1-OG 3.23Å; Y876-S880 VanDerWaalsContact O-CB 3.26Å; Y876-S880 WeakPolarHBondContact O-CB 3.29Å; Y876-S880 PolarHBondContact O-N 3.17Å; Y876-S880 PolarHBondContact O-OG 3.4Å
877L91.8Very high91.9Very high16 Ų1655.2 Ų55.28%0.08425%0.25CC..Hα-helixtrans-65.1-45.9179.7-66.3175.1000111.8R747 P815 C867 N871 S875 R879 S880 A881R747-L877 HydrophobicContact CB-CD1 4.32Å; R747-L877 HydrophobicContact CG-CD1 4.41Å; P815-L877 HydrophobicContact CB-CD2 3.35Å; P815-L877 HydrophobicContact CG-CD2 3.46Å; P815-L877 VanDerWaalsContact CG-CD2 3.46Å; C867-L877 PolarHBondContact SG-O 3.19Å; C867-L877 VanDerWaalsContact SG-O 3.4Å; N871-L877 HydrophobicContact CB-CB 4.36Å; N871-L877 VanDerWaalsContact OD1-CD1 3.29Å; N871-L877 WeakPolarHBondContact OD1-CD1 3.42Å; S875-L877 PolarHBondContact O-N 3.5Å; L877-R879 PolarHBondContact O-N 3.24Å; L877-S880 PolarHBondContact O-N 3.39Å; L877-A881 PolarHBondContact O-N 2.9Å
878Y94.4Very high92Very high49 Ų4954.8 Ų54.819%0.19225%0.246CC..Hα-helixtrans-61-44.1176.8-164.7-74.4000111.7R868 Q872 Q873 S875 A881 N882R868-Y878 HydrophobicContact CB-CD2 3.88Å; R868-Y878 HydrophobicContact CB-CE2 3.47Å; R868-Y878 VanDerWaalsContact CB-CE2 3.47Å; R868-Y878 HydrophobicContact CG-CD1 4.33Å; R868-Y878 HydrophobicContact CG-CD2 3.7Å; R868-Y878 HydrophobicContact CG-CE1 4.13Å; R868-Y878 HydrophobicContact CG-CE2 3.46Å; R868-Y878 VanDerWaalsContact CG-CE2 3.46Å; R868-Y878 HydrophobicContact CG-CG 4.11Å; Q872-Y878 WeakPolarHBondContact O-CB 3.11Å; Q873-Y878 HydrophobicContact CB-CE1 4.41Å; Q873-Y878 HydrophobicContact CB-CE2 4.34Å; Q873-Y878 HydrophobicContact CG-CD2 4.44Å; Q873-Y878 HydrophobicContact CG-CE1 4.45Å; Q873-Y878 HydrophobicContact CG-CE2 3.86Å; Q873-Y878 WeakPolarHBondContact O-CD1 3.43Å; S875-Y878 PolarHBondContact O-N 3.32Å; S875-Y878 VanDerWaalsContact OG-CB 3.32Å; S875-Y878 WeakPolarHBondContact OG-CB 3.27Å; S875-Y878 PolarHBondContact OG-N 3.08Å; S875-Y878 VanDerWaalsContact OG-N 3.12Å; Y878-A881 PolarHBondContact O-N 3.03Å; Y878-N882 WeakPolarHBondContact CD1-ND2 3.33Å; Y878-N882 VanDerWaalsContact CE1-ND2 3.31Å; Y878-N882 WeakPolarHBondContact CE1-ND2 3.4Å; Y878-N882 VanDerWaalsContact O-CG 3.31Å; Y878-N882 PolarHBondContact O-N 3.31Å; Y878-N882 VanDerWaalsContact O-N 3.12Å; Y878-N882 PolarHBondContact O-ND2 3.4Å
879R92.3Very high92Very high157 Ų15754.3 Ų54.359%0.59225%0.247SC*.Hα-helixtrans-66.2-38.2175.9-63.8-179.1-163.6179.64.6112.5D874 S875 Y876 L877 N882 T883D874-R879 PolarHBondContact O-NE 2.79Å; D874-R879 PolarHBondContact O-NH2 2.73Å; D874-R879 VanDerWaalsContact O-NH2 3.15Å; S875-R879 WeakPolarHBondContact O-CG 3.49Å; S875-R879 PolarHBondContact O-N 3.06Å; S875-R879 VanDerWaalsContact O-N 3.09Å; Y876-R879 PolarHBondContact O-N 3.47Å; L877-R879 PolarHBondContact O-N 3.24Å; R879-N882 PolarHBondContact O-N 3.36Å; R879-T883 WeakPolarHBondContact O-CB 3.27Å; R879-T883 PolarHBondContact O-N 3.29Å; R879-T883 PolarHBondContact O-OG1 3.34Å
880S93.9Very high92.3Very high2 Ų255.2 Ų55.21%0.01425%0.249CC..Hα-helixtrans-63.9-43.3176.2-62.10000111Y876 L877 T883 L884Y876-S880 WeakPolarHBondContact CE1-OG 3.23Å; Y876-S880 VanDerWaalsContact O-CB 3.26Å; Y876-S880 WeakPolarHBondContact O-CB 3.29Å; Y876-S880 PolarHBondContact O-N 3.17Å; Y876-S880 PolarHBondContact O-OG 3.4Å; L877-S880 PolarHBondContact O-N 3.39Å; S880-T883 PolarHBondContact O-N 2.61Å; S880-L884 WeakPolarHBondContact O-CB 3.41Å; S880-L884 WeakPolarHBondContact O-CG 3.19Å; S880-L884 PolarHBondContact O-N 3.18Å
881A95.6Very high92.6Very high0 Ų056.6 Ų56.60%026%0.256CS..Hα-helixtrans-58-49.7174.100000111.7F816 F864 C867 L877 Y878 T883 L884 E885F816-A881 HydrophobicContact CE1-CB 4.42Å; F816-A881 HydrophobicContact CZ-CB 3.97Å; F864-A881 HydrophobicContact CB-CB 4.3Å; F864-A881 HydrophobicContact CD1-CB 4.04Å; F864-A881 WeakPolarHBondContact CD1-O 3.36Å; C867-A881 HydrophobicContact CB-CB 4.05Å; L877-A881 PolarHBondContact O-N 2.9Å; Y878-A881 PolarHBondContact O-N 3.03Å; A881-T883 VanDerWaalsContact C-N 3.26Å; A881-T883 PolarHBondContact O-N 3.34Å; A881-L884 PolarHBondContact O-N 2.84Å; A881-E885 WeakPolarHBondContact O-CB 3.42Å; A881-E885 PolarHBondContact O-N 3.45Å
882N93.5Very high92.8Very high49 Ų4955.7 Ų55.726%0.26225%0.251SS..Hα-helixtrans-64-30.6179.5-63.5-15.6000113.3R868 Y878 R879 R886R868-N882 WeakPolarHBondContact CD-OD1 3.28Å; R868-N882 PolarHBondContact NH1-OD1 2.88Å; Y878-N882 WeakPolarHBondContact CD1-ND2 3.33Å; Y878-N882 VanDerWaalsContact CE1-ND2 3.31Å; Y878-N882 WeakPolarHBondContact CE1-ND2 3.4Å; Y878-N882 VanDerWaalsContact O-CG 3.31Å; Y878-N882 PolarHBondContact O-N 3.31Å; Y878-N882 VanDerWaalsContact O-N 3.12Å; Y878-N882 PolarHBondContact O-ND2 3.4Å; R879-N882 PolarHBondContact O-N 3.36Å; N882-R886 WeakPolarHBondContact O-CG 3.48Å; N882-R886 PolarHBondContact O-N 3.09Å; N882-R886 PolarHBondContact O-NE 3.07Å; N882-R886 VanDerWaalsContact O-NE 3.16Å
883T95.2Very high93.3Very high46 Ų4659.1 Ų59.128%0.28227%0.265SS..Hα-helixtrans-79.4-44.7179.6-560000111L812 R879 S880 A881 E885 R886 Y887L812-T883 HydrophobicContact CD1-CG2 3.69Å; R879-T883 WeakPolarHBondContact O-CB 3.27Å; R879-T883 PolarHBondContact O-N 3.29Å; R879-T883 PolarHBondContact O-OG1 3.34Å; S880-T883 PolarHBondContact O-N 2.61Å; A881-T883 VanDerWaalsContact C-N 3.26Å; A881-T883 PolarHBondContact O-N 3.34Å; T883-E885 VanDerWaalsContact C-N 3.33Å; T883-E885 PolarHBondContact O-N 3.37Å; T883-R886 PolarHBondContact O-N 2.97Å; T883-R886 PolarHBondContact OG1-NH2 3.16Å; T883-Y887 PolarHBondContact O-N 3.21Å
884L95.8Very high93.7Very high2 Ų258.3 Ų58.31%0.0126%0.261CS..Hα-helixtrans-64.2-36.6174.4-78.4169.8000112.6H810 L812 F816 F864 S880 A881 Y887 F888H810-L884 HydrophobicContact CB-CD2 3.76Å; H810-L884 VanDerWaalsContact ND1-CD2 3.32Å; H810-L884 WeakPolarHBondContact ND1-CD2 3.37Å; L812-L884 HydrophobicContact CB-CD1 4.38Å; L812-L884 HydrophobicContact CB-CG 4.23Å; F816-L884 HydrophobicContact CD2-CD1 3.35Å; F816-L884 HydrophobicContact CE2-CD1 3.4Å; F816-L884 HydrophobicContact CG-CD1 4.22Å; F816-L884 HydrophobicContact CZ-CD1 4.27Å; F864-L884 HydrophobicContact CD1-CB 4.42Å; F864-L884 HydrophobicContact CE1-CB 3.43Å; F864-L884 VanDerWaalsContact CE1-CB 3.43Å; F864-L884 HydrophobicContact CE1-CD1 4.35Å; F864-L884 HydrophobicContact CZ-CB 3.83Å; S880-L884 WeakPolarHBondContact O-CB 3.41Å; S880-L884 WeakPolarHBondContact O-CG 3.19Å; S880-L884 PolarHBondContact O-N 3.18Å; A881-L884 PolarHBondContact O-N 2.84Å; L884-Y887 PolarHBondContact O-N 3.09Å; L884-F888 VanDerWaalsContact O-CB 3.24Å; L884-F888 WeakPolarHBondContact O-CB 3.38Å; L884-F888 PolarHBondContact O-N 3.31Å
885E97.1Very high94Very high30 Ų3056.4 Ų56.414%0.1426%0.256CS..Hα-helixtrans-61.7-45.4175.1-177.7174.6-134.500111.4M861 F864 R868 A881 T883 Y887 F888 I889M861-E885 HydrophobicContact CE-CG 4.46Å; M861-E885 WeakPolarHBondContact CE-OE1 3.48Å; M861-E885 HydrophobicContact SD-CG 4.24Å; F864-E885 HydrophobicContact CD1-CB 4.41Å; F864-E885 HydrophobicContact CD2-CB 3.63Å; F864-E885 HydrophobicContact CD2-CG 3.85Å; F864-E885 HydrophobicContact CE2-CB 3.82Å; F864-E885 HydrophobicContact CE2-CG 4.24Å; F864-E885 HydrophobicContact CG-CB 3.95Å; F864-E885 HydrophobicContact CG-CG 4.46Å; F864-E885 HydrophobicContact CZ-CB 4.29Å; R868-E885 IonicContact CZ-OE1 3.23Å; R868-E885 IonicContact CZ-OE2 2.75Å; R868-E885 IonicContact NH1-OE1 3.6Å; R868-E885 IonicContact NH1-OE2 3.93Å; R868-E885 PolarHBondContact NH1-OE2 3.39Å; R868-E885 IonicContact NH2-OE1 3.7Å; R868-E885 PolarHBondContact NH2-OE1 2.79Å; R868-E885 IonicContact NH2-OE2 3.7Å; R868-E885 PolarHBondContact NH2-OE2 2.97Å; A881-E885 WeakPolarHBondContact O-CB 3.42Å; A881-E885 PolarHBondContact O-N 3.45Å; T883-E885 VanDerWaalsContact C-N 3.33Å; T883-E885 PolarHBondContact O-N 3.37Å; E885-Y887 PolarHBondContact O-N 3.31Å; E885-F888 WeakPolarHBondContact O-CB 3.23Å; E885-F888 PolarHBondContact O-N 3.03Å; E885-I889 HydrophobicContact CG-CD1 4.1Å; E885-I889 WeakPolarHBondContact O-CG1 3.43Å; E885-I889 PolarHBondContact O-N 3.27Å
886R95.9Very high94.1Very high153 Ų15361.8 Ų61.858%0.57728%0.284SS*.Hα-helixtrans-62.2-43.3173.8-73.9-178.5-70.5167.11112N882 T883 F888 I889 N890N882-R886 WeakPolarHBondContact O-CG 3.48Å; N882-R886 PolarHBondContact O-N 3.09Å; N882-R886 PolarHBondContact O-NE 3.07Å; N882-R886 VanDerWaalsContact O-NE 3.16Å; T883-R886 PolarHBondContact O-N 2.97Å; T883-R886 PolarHBondContact OG1-NH2 3.16Å; R886-F888 VanDerWaalsContact C-N 3.33Å; R886-F888 PolarHBondContact O-N 3.34Å; R886-I889 PolarHBondContact O-N 3.43Å; R886-N890 VanDerWaalsContact O-CG 3.32Å; R886-N890 PolarHBondContact O-N 3.34Å
887Y96.5Very high94Very high64 Ų6456.4 Ų56.425%0.25126%0.264SS..Hα-helixtrans-61.5-42.4176.5-179.7-106.8000112A806 L807 H810 T883 L884 E885 N890 K891A806-Y887 HydrophobicContact CB-CE1 4.35Å; A806-Y887 WeakPolarHBondContact O-CE1 3.48Å; L807-Y887 HydrophobicContact CD1-CD1 4.32Å; L807-Y887 HydrophobicContact CD1-CE1 4.34Å; L807-Y887 HydrophobicContact CG-CD1 4.36Å; H810-Y887 HydrophobicContact CB-CE1 4.35Å; H810-Y887 AromaticContact CD2-CD1 3.75Å; H810-Y887 AromaticContact CD2-CE1 3.85Å; H810-Y887 AromaticContact CD2-CG 3.84Å; T883-Y887 PolarHBondContact O-N 3.21Å; L884-Y887 PolarHBondContact O-N 3.09Å; E885-Y887 PolarHBondContact O-N 3.31Å; Y887-N890 PolarHBondContact O-N 3.01Å; Y887-K891 HydrophobicContact CE1-CG 4.14Å; Y887-K891 HydrophobicContact CE2-CG 4.39Å; Y887-K891 WeakPolarHBondContact O-CG 3.41Å; Y887-K891 PolarHBondContact O-N 3.22Å; Y887-K891 WeakPolarHBondContact OH-CE 3.19Å
888F97.1Very high93.8Very high0 Ų058.4 Ų58.40%027%0.27CS..Hα-helixtrans-60.5-50.8174.8168.2-117.4000112.3I803 L807 F856 I857 M860 F864 L884 E885 R886 N890 K891 M892 W898I803-F888 HydrophobicContact CG2-CD2 4.27Å; I803-F888 HydrophobicContact CG2-CE2 4.39Å; L807-F888 HydrophobicContact CD1-CB 4.38Å; L807-F888 HydrophobicContact CD1-CD2 4.16Å; L807-F888 HydrophobicContact CD2-CB 4.03Å; L807-F888 HydrophobicContact CD2-CD2 4.03Å; L807-F888 HydrophobicContact CD2-CG 4.3Å; F856-F888 HydrophobicContact CD1-CE2 4.32Å; F856-F888 AromaticContact CE1-CE2 3.64Å; F856-F888 HydrophobicContact CE1-CE2 3.64Å; F856-F888 HydrophobicContact CE1-CZ 4.27Å; F856-F888 HydrophobicContact CZ-CE2 4.21Å; I857-F888 HydrophobicContact CG1-CZ 4.21Å; M860-F888 HydrophobicContact CB-CD1 4.12Å; M860-F888 HydrophobicContact CB-CE1 3.62Å; M860-F888 HydrophobicContact CB-CE2 4.13Å; M860-F888 HydrophobicContact CB-CZ 3.63Å; M860-F888 HydrophobicContact CG-CD1 4.29Å; M860-F888 HydrophobicContact CG-CD2 3.91Å; M860-F888 HydrophobicContact CG-CE1 4.01Å; M860-F888 HydrophobicContact CG-CE2 3.63Å; M860-F888 HydrophobicContact CG-CG 4.24Å; M860-F888 HydrophobicContact CG-CZ 3.68Å; M860-F888 HydrophobicContact SD-CD2 4.29Å; M860-F888 HydrophobicContact SD-CG 4.36Å; F864-F888 HydrophobicContact CE2-CB 4.32Å; F864-F888 HydrophobicContact CE2-CD1 4.21Å; F864-F888 HydrophobicContact CE2-CG 4.47Å; F864-F888 HydrophobicContact CZ-CB 4.44Å; L884-F888 VanDerWaalsContact O-CB 3.24Å; L884-F888 WeakPolarHBondContact O-CB 3.38Å; L884-F888 PolarHBondContact O-N 3.31Å; E885-F888 WeakPolarHBondContact O-CB 3.23Å; E885-F888 PolarHBondContact O-N 3.03Å; R886-F888 VanDerWaalsContact C-N 3.33Å; R886-F888 PolarHBondContact O-N 3.34Å; F888-N890 VanDerWaalsContact C-N 3.27Å; F888-N890 PolarHBondContact O-N 3.15Å; F888-K891 PolarHBondContact O-N 2.87Å; F888-K891 VanDerWaalsContact O-N 3.15Å; F888-M892 HydrophobicContact CD2-CG 3.84Å; F888-M892 HydrophobicContact CE1-CG 4.33Å; F888-M892 HydrophobicContact CE2-CG 3.3Å; F888-M892 HydrophobicContact CE2-SD 3.71Å; F888-M892 HydrophobicContact CZ-CE 4.45Å; F888-M892 HydrophobicContact CZ-CG 3.6Å; F888-M892 HydrophobicContact CZ-SD 4.08Å; F888-M892 WeakPolarHBondContact O-CG 3.45Å; F888-M892 PolarHBondContact O-N 3.14Å; F888-W898 HydrophobicContact CD1-CZ3 4.29Å; F888-W898 HydrophobicContact CE1-CH2 4.42Å; F888-W898 AromaticContact CE1-CZ3 3.69Å; F888-W898 HydrophobicContact CE1-CZ3 3.69Å; F888-W898 HydrophobicContact CZ-CZ3 4.25Å
889I94.3Very high92.8Very high38 Ų3861.3 Ų61.320%0.19530%0.295CS..Hα-helixtrans-55.8-45177.6-68.7165.6000110.3E885 R886 M892 K893 W898E885-I889 HydrophobicContact CG-CD1 4.1Å; E885-I889 WeakPolarHBondContact O-CG1 3.43Å; E885-I889 PolarHBondContact O-N 3.27Å; R886-I889 PolarHBondContact O-N 3.43Å; I889-M892 PolarHBondContact O-N 3.31Å; I889-K893 HydrophobicContact CG2-CD 4.27Å; I889-K893 WeakPolarHBondContact O-CG 3.37Å; I889-K893 PolarHBondContact O-N 3.42Å; I889-W898 HydrophobicContact CD1-CH2 4.24Å; I889-W898 HydrophobicContact CD1-CZ2 4.23Å; I889-W898 HydrophobicContact CG1-CE3 4.4Å; I889-W898 HydrophobicContact CG1-CH2 3.53Å; I889-W898 HydrophobicContact CG1-CZ2 3.77Å; I889-W898 HydrophobicContact CG1-CZ3 3.86Å; I889-W898 HydrophobicContact CG2-CD2 4.13Å; I889-W898 HydrophobicContact CG2-CZ2 4.21Å
890N94.4Very high92.8Very high87 Ų8756.5 Ų56.547%0.46528%0.28SS..Hα-helixtrans-62.8-45178-70.9-9.9000112R886 Y887 F888 M892 K893 E894R886-N890 VanDerWaalsContact O-CG 3.32Å; R886-N890 PolarHBondContact O-N 3.34Å; Y887-N890 PolarHBondContact O-N 3.01Å; F888-N890 VanDerWaalsContact C-N 3.27Å; F888-N890 PolarHBondContact O-N 3.15Å; N890-M892 VanDerWaalsContact C-N 3.3Å; N890-M892 PolarHBondContact O-N 3.17Å; N890-K893 PolarHBondContact O-N 3.27Å; N890-E894 WeakPolarHBondContact O-CG 3.41Å; N890-E894 PolarHBondContact O-N 3.09Å
891K95Very high92.7Very high52 Ų5259.4 Ų59.423%0.22629%0.294CS..Hα-helixtrans-62.9-36176.8-73.3-73.4160.7-151.10113I803 A806 Y887 F888 E894 A895I803-K891 HydrophobicContact CG2-CB 3.96Å; A806-K891 HydrophobicContact CB-CD 4.31Å; Y887-K891 HydrophobicContact CE1-CG 4.14Å; Y887-K891 HydrophobicContact CE2-CG 4.39Å; Y887-K891 WeakPolarHBondContact O-CG 3.41Å; Y887-K891 PolarHBondContact O-N 3.22Å; Y887-K891 WeakPolarHBondContact OH-CE 3.19Å; F888-K891 PolarHBondContact O-N 2.87Å; F888-K891 VanDerWaalsContact O-N 3.15Å; K891-E894 IonicContact NZ-OE1 3.62Å; K891-E894 IonicContact NZ-OE2 2.78Å; K891-E894 PolarHBondContact NZ-OE2 3.11Å; K891-A895 WeakPolarHBondContact O-CB 3.46Å; K891-A895 PolarHBondContact O-N 3.45Å
892M95Very high92.6Very high0 Ų062.7 Ų62.70%031%0.31CS..Hα-helixtrans-69-37.4175-71.3-70.1-70.400112.3I803 F856 I857 F888 I889 N890 A895 D896 L897 W898I803-M892 HydrophobicContact CD1-SD 3.63Å; I803-M892 HydrophobicContact CG2-SD 4.31Å; F856-M892 HydrophobicContact CD1-CE 4.38Å; F856-M892 HydrophobicContact CD1-SD 4.11Å; F856-M892 HydrophobicContact CE1-SD 3.88Å; I857-M892 HydrophobicContact CD1-CE 3.78Å; I857-M892 HydrophobicContact CG1-CE 3.61Å; F888-M892 HydrophobicContact CD2-CG 3.84Å; F888-M892 HydrophobicContact CE1-CG 4.33Å; F888-M892 HydrophobicContact CE2-CG 3.3Å; F888-M892 HydrophobicContact CE2-SD 3.71Å; F888-M892 HydrophobicContact CZ-CE 4.45Å; F888-M892 HydrophobicContact CZ-CG 3.6Å; F888-M892 HydrophobicContact CZ-SD 4.08Å; F888-M892 WeakPolarHBondContact O-CG 3.45Å; F888-M892 PolarHBondContact O-N 3.14Å; I889-M892 PolarHBondContact O-N 3.31Å; N890-M892 VanDerWaalsContact C-N 3.3Å; N890-M892 PolarHBondContact O-N 3.17Å; M892-A895 PolarHBondContact O-N 3.13Å; M892-D896 PolarHBondContact O-N 2.8Å; M892-L897 HydrophobicContact CE-CB 3.46Å; M892-L897 VanDerWaalsContact CE-CB 3.46Å; M892-L897 HydrophobicContact CE-CD1 4.48Å; M892-L897 PolarHBondContact O-N 3.25Å; M892-L897 HydrophobicContact SD-CB 4.02Å; M892-L897 HydrophobicContact SD-CD1 4.37Å; M892-W898 HydrophobicContact CB-CB 4Å; M892-W898 HydrophobicContact CB-CD2 4.35Å; M892-W898 HydrophobicContact CB-CE3 3.6Å; M892-W898 HydrophobicContact CB-CZ3 4.49Å; M892-W898 HydrophobicContact CG-CE3 3.99Å; M892-W898 HydrophobicContact CG-CZ3 4.46Å; M892-W898 PolarHBondContact O-N 3.09Å
893K93.4Very high92.5Very high127 Ų12763.5 Ų63.555%0.55231%0.313SS*.Hα-helixtrans-66.5-44.3173.6-72.8178.6177.5-172.90111.9I889 N890 A895 D896 W898I889-K893 HydrophobicContact CG2-CD 4.27Å; I889-K893 WeakPolarHBondContact O-CG 3.37Å; I889-K893 PolarHBondContact O-N 3.42Å; N890-K893 PolarHBondContact O-N 3.27Å; K893-A895 PolarHBondContact O-N 2.92Å; K893-D896 PolarHBondContact O-N 3.41Å; K893-D896 VanDerWaalsContact O-N 3.08Å; K893-W898 HydrophobicContact CB-CB 4.5Å; K893-W898 HydrophobicContact CG-CB 3.65Å; K893-W898 HydrophobicContact CG-CG 3.91Å
894E92.1Very high92.3Very high136 Ų13664.6 Ų64.664%0.63632%0.315SS*.Hα-helixtrans-57.8-31.8175-74170.7-162.400112.6N890 K891N890-E894 WeakPolarHBondContact O-CG 3.41Å; N890-E894 PolarHBondContact O-N 3.09Å; K891-E894 IonicContact NZ-OE1 3.62Å; K891-E894 IonicContact NZ-OE2 2.78Å; K891-E894 PolarHBondContact NZ-OE2 3.11Å
895A91.2Very high92.1Very high40 Ų4068.7 Ų68.733%0.33134%0.335SS..THydrogen-bonded Turntrans-93.14.1179.300000114.4I803 K891 M892 K893 L897I803-A895 HydrophobicContact CD1-CB 3.7Å; I803-A895 HydrophobicContact CG1-CB 4.4Å; K891-A895 WeakPolarHBondContact O-CB 3.46Å; K891-A895 PolarHBondContact O-N 3.45Å; M892-A895 PolarHBondContact O-N 3.13Å; K893-A895 PolarHBondContact O-N 2.92Å; A895-L897 HydrophobicContact CB-CD1 4.26Å; A895-L897 HydrophobicContact CB-CG 4.19Å; A895-L897 PolarHBondContact O-N 3.44Å
896D90.6Very high91.7Very high127 Ų12771.5 Ų71.568%0.67935%0.349SS*.THydrogen-bonded Turntrans55.537.3-175.3-163.233.1000113.7M892 K893M892-D896 PolarHBondContact O-N 2.8Å; K893-D896 PolarHBondContact O-N 3.41Å; K893-D896 VanDerWaalsContact O-N 3.08Å
897L89.4Confident91.4Very high10 Ų1065.2 Ų65.25%0.05233%0.332CS..  trans-111.9-14.4179.1-65.7-178.6000113.2L796 K799 I800 I803 K853 M892 A895L796-L897 HydrophobicContact CD1-CD2 4.22Å; K799-L897 HydrophobicContact CB-CD1 4.13Å; K799-L897 HydrophobicContact CD-CD2 4.36Å; I800-L897 HydrophobicContact CG1-CD1 4.33Å; I803-L897 HydrophobicContact CD1-CD1 3.82Å; K853-L897 HydrophobicContact CD-CD2 4.41Å; K853-L897 WeakPolarHBondContact CD-O 2.85Å; K853-L897 PolarHBondContact NZ-O 3.12Å; M892-L897 HydrophobicContact CE-CB 3.46Å; M892-L897 VanDerWaalsContact CE-CB 3.46Å; M892-L897 HydrophobicContact CE-CD1 4.48Å; M892-L897 PolarHBondContact O-N 3.25Å; M892-L897 HydrophobicContact SD-CB 4.02Å; M892-L897 HydrophobicContact SD-CD1 4.37Å; A895-L897 HydrophobicContact CB-CD1 4.26Å; A895-L897 HydrophobicContact CB-CG 4.19Å; A895-L897 PolarHBondContact O-N 3.44Å
898W87.2Confident91Very high58 Ų5865.3 Ų65.322%0.2234%0.339CS..  trans-70.8134.7175.8-161.6-99.7000110.5I348 I857 F888 I889 M892 K893I348-W898 WeakPolarHBondContact CD1-O 3.27Å; I857-W898 HydrophobicContact CG1-CZ3 4.43Å; I857-W898 HydrophobicContact CG2-CH2 4.46Å; I857-W898 HydrophobicContact CG2-CZ3 4.28Å; F888-W898 HydrophobicContact CD1-CZ3 4.29Å; F888-W898 HydrophobicContact CE1-CH2 4.42Å; F888-W898 AromaticContact CE1-CZ3 3.69Å; F888-W898 HydrophobicContact CE1-CZ3 3.69Å; F888-W898 HydrophobicContact CZ-CZ3 4.25Å; I889-W898 HydrophobicContact CD1-CH2 4.24Å; I889-W898 HydrophobicContact CD1-CZ2 4.23Å; I889-W898 HydrophobicContact CG1-CE3 4.4Å; I889-W898 HydrophobicContact CG1-CH2 3.53Å; I889-W898 HydrophobicContact CG1-CZ2 3.77Å; I889-W898 HydrophobicContact CG1-CZ3 3.86Å; I889-W898 HydrophobicContact CG2-CD2 4.13Å; I889-W898 HydrophobicContact CG2-CZ2 4.21Å; M892-W898 HydrophobicContact CB-CB 4Å; M892-W898 HydrophobicContact CB-CD2 4.35Å; M892-W898 HydrophobicContact CB-CE3 3.6Å; M892-W898 HydrophobicContact CB-CZ3 4.49Å; M892-W898 HydrophobicContact CG-CE3 3.99Å; M892-W898 HydrophobicContact CG-CZ3 4.46Å; M892-W898 PolarHBondContact O-N 3.09Å; K893-W898 HydrophobicContact CB-CB 4.5Å; K893-W898 HydrophobicContact CG-CB 3.65Å; K893-W898 HydrophobicContact CG-CG 3.91Å
899P72.2Confident90.4Very high109 Ų10971.3 Ų71.371%0.70837%0.369SS*.  trans-71.20178.630-34.2000113.5I348 I857I348-P899 WeakPolarHBondContact CD1-OXT 3.45Å; I857-P899 HydrophobicContact CD1-CG 4.48Å

Retrieved 899 of 899 residues in 264.3 ms (Link to these results)

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