A0A5K4F5F9_SCHMA Loading...

Adenylate kinase isoenzyme 5 homolog AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F5F9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 787 aa.

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

 

Download Structure   AlphaSync Parameters   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.6Very low75.6Confident185 Ų185121.3 Ų121.391%0.91157%0.567SS**  0122.90-74.3169.363.300108.1W29 L33M1-W29 HydrophobicContact SD-CH2 4.05Å; M1-L33 HydrophobicContact CE-CD1 3.59Å; M1-L33 HydrophobicContact CE-CD2 3.97Å; M1-L33 HydrophobicContact CE-CG 4.38Å
2Y54.1Low76.6Confident208 Ų208119.3 Ų119.382%0.81656%0.562SS**  trans-120.5130.317664.5-87.9000109.4
3H64Low77.6Confident76 Ų76118.3 Ų118.335%0.35256%0.557SS.*  trans-93.7127.6170.3-172.7-76.6000107.1P5 Y11H3-P5 WeakPolarHBondContact ND1-CD 3.02Å; H3-P5 VanDerWaalsContact O-CD 3.31Å; H3-P5 WeakPolarHBondContact O-CD 3.47Å; H3-Y11 AromaticContact CE1-CE2 3.67Å; H3-Y11 AromaticContact ND1-CE2 3.88Å; H3-Y11 AromaticContact ND1-CZ 3.89Å
4R73.4Confident78.3Confident201 Ų201116 Ų11676%0.75855%0.546SS*.  trans-114.482177.9-166.5175.8-175.4163.80.4108.8
5P78.6Confident78.9Confident20 Ų20109.2 Ų109.213%0.1352%0.516CS..  trans-62.7146.7178.27.70.6000109.8H3 D7 H8 Y11H3-P5 WeakPolarHBondContact ND1-CD 3.02Å; H3-P5 VanDerWaalsContact O-CD 3.31Å; H3-P5 WeakPolarHBondContact O-CD 3.47Å; P5-D7 VanDerWaalsContact C-N 3.29Å; P5-D7 PolarHBondContact O-N 3.38Å; P5-H8 PolarHBondContact O-CD2 3.09Å; P5-H8 PolarHBondContact O-NE2 3.4Å; P5-Y11 HydrophobicContact CB-CD1 4.34Å; P5-Y11 HydrophobicContact CB-CD2 4.01Å; P5-Y11 HydrophobicContact CB-CG 3.76Å; P5-Y11 HydrophobicContact CG-CD1 3.5Å; P5-Y11 HydrophobicContact CG-CD2 3.97Å; P5-Y11 HydrophobicContact CG-CE1 4.05Å; P5-Y11 HydrophobicContact CG-CE2 4.45Å; P5-Y11 HydrophobicContact CG-CG 3.44Å; P5-Y11 VanDerWaalsContact CG-CG 3.44Å
6N80.4Confident79.5Confident177 Ų177108.2 Ų108.295%0.94751%0.514SS*.SBendtrans-68.8-31177.8-66.8-26.4000112.1
7D87.4Confident80.1Confident91 Ų91107.5 Ų107.549%0.48751%0.51SS..SBendtrans-119.8106.3171.2-172.2-24.8000109P5 L9 D10 Y11P5-D7 VanDerWaalsContact C-N 3.29Å; P5-D7 PolarHBondContact O-N 3.38Å; D7-L9 PolarHBondContact OD1-N 3.33Å; D7-D10 HydrophobicContact CB-CB 4.02Å; D7-D10 PolarHBondContact OD1-N 3.34Å; D7-Y11 VanDerWaalsContact O-CB 3.24Å; D7-Y11 WeakPolarHBondContact O-CB 3.45Å; D7-Y11 PolarHBondContact O-N 2.7Å; D7-Y11 VanDerWaalsContact O-N 3.17Å
8H84.3Confident80.3Confident112 Ų112107.3 Ų107.352%0.51951%0.507SS..Hα-helixtrans-70.8-32.8-177.2-58.4155.1000112.6P5 L12P5-H8 PolarHBondContact O-CD2 3.09Å; P5-H8 PolarHBondContact O-NE2 3.4Å; H8-L12 WeakPolarHBondContact O-CB 3.34Å; H8-L12 VanDerWaalsContact O-CG 3.27Å; H8-L12 WeakPolarHBondContact O-CG 3.41Å; H8-L12 PolarHBondContact O-N 3.36Å
9L86.8Confident80.8Confident137 Ų137103.5 Ų103.572%0.71749%0.49SS*.Hα-helixtrans-75.8-46-176.8-72.1175.1000110.7D7 Y11 L12 Q13D7-L9 PolarHBondContact OD1-N 3.33Å; L9-Y11 VanDerWaalsContact C-N 3.32Å; L9-Y11 PolarHBondContact O-N 3.26Å; L9-L12 PolarHBondContact O-N 3.28Å; L9-Q13 PolarHBondContact O-N 2.91Å
10D87.9Confident81Confident71 Ų71108.1 Ų108.138%0.3850%0.502SS..Hα-helixtrans-62-42.2175.3-177.163.5000111D7 L12 Q13 Q14D7-D10 HydrophobicContact CB-CB 4.02Å; D7-D10 PolarHBondContact OD1-N 3.34Å; D10-L12 PolarHBondContact O-N 2.89Å; D10-Q13 WeakPolarHBondContact O-CB 3.48Å; D10-Q13 PolarHBondContact O-N 3.4Å; D10-Q14 WeakPolarHBondContact O-CG 3.43Å; D10-Q14 PolarHBondContact O-N 3.46Å; D10-Q14 PolarHBondContact OD2-NE2 2.9Å
11Y87.1Confident81.2Confident56 Ų56106.9 Ų106.922%0.2251%0.51CS..Hα-helixtrans-60.9-44.7174.9179.6-99.9000112.8H3 P5 D7 L9 Q13 Q14 C15 F32H3-Y11 AromaticContact CE1-CE2 3.67Å; H3-Y11 AromaticContact ND1-CE2 3.88Å; H3-Y11 AromaticContact ND1-CZ 3.89Å; P5-Y11 HydrophobicContact CB-CD1 4.34Å; P5-Y11 HydrophobicContact CB-CD2 4.01Å; P5-Y11 HydrophobicContact CB-CG 3.76Å; P5-Y11 HydrophobicContact CG-CD1 3.5Å; P5-Y11 HydrophobicContact CG-CD2 3.97Å; P5-Y11 HydrophobicContact CG-CE1 4.05Å; P5-Y11 HydrophobicContact CG-CE2 4.45Å; P5-Y11 HydrophobicContact CG-CG 3.44Å; P5-Y11 VanDerWaalsContact CG-CG 3.44Å; D7-Y11 VanDerWaalsContact O-CB 3.24Å; D7-Y11 WeakPolarHBondContact O-CB 3.45Å; D7-Y11 PolarHBondContact O-N 2.7Å; D7-Y11 VanDerWaalsContact O-N 3.17Å; L9-Y11 VanDerWaalsContact C-N 3.32Å; L9-Y11 PolarHBondContact O-N 3.26Å; Y11-Q13 VanDerWaalsContact C-N 3.33Å; Y11-Q13 PolarHBondContact O-N 2.96Å; Y11-Q14 PolarHBondContact O-N 3.32Å; Y11-C15 WeakPolarHBondContact O-CB 3.48Å; Y11-C15 PolarHBondContact O-N 2.84Å; Y11-C15 PolarHBondContact O-SG 3.2Å; Y11-F32 VanDerWaalsContact OH-CB 3.23Å; Y11-F32 WeakPolarHBondContact OH-CB 3.39Å; Y11-F32 PolarHBondContact OH-O 3.19Å
12L87.5Confident82.9Confident98 Ų98102.9 Ų102.951%0.51349%0.493SS..Hα-helixtrans-61.1-42.3174.9-79.2167000111.4H8 L9 D10 C15 I16H8-L12 WeakPolarHBondContact O-CB 3.34Å; H8-L12 VanDerWaalsContact O-CG 3.27Å; H8-L12 WeakPolarHBondContact O-CG 3.41Å; H8-L12 PolarHBondContact O-N 3.36Å; L9-L12 PolarHBondContact O-N 3.28Å; D10-L12 PolarHBondContact O-N 2.89Å; L12-C15 WeakPolarHBondContact O-CB 3.46Å; L12-C15 PolarHBondContact O-N 3.15Å; L12-I16 VanDerWaalsContact O-CG1 3.32Å; L12-I16 WeakPolarHBondContact O-CG1 3.32Å; L12-I16 PolarHBondContact O-N 2.67Å
13Q90Very high84.1Confident106 Ų10694.5 Ų94.550%0.49547%0.47SS..Hα-helixtrans-60.8-48.3175.8-177177.9-25.300111.5L9 D10 Y11 C15 I16 E17L9-Q13 PolarHBondContact O-N 2.91Å; D10-Q13 WeakPolarHBondContact O-CB 3.48Å; D10-Q13 PolarHBondContact O-N 3.4Å; Y11-Q13 VanDerWaalsContact C-N 3.33Å; Y11-Q13 PolarHBondContact O-N 2.96Å; Q13-C15 VanDerWaalsContact C-N 3.3Å; Q13-C15 PolarHBondContact O-N 3.34Å; Q13-I16 PolarHBondContact O-N 3.27Å; Q13-E17 HydrophobicContact CG-CG 4.47Å; Q13-E17 WeakPolarHBondContact CG-OE1 3.48Å; Q13-E17 PolarHBondContact NE2-OE1 3.48Å; Q13-E17 WeakPolarHBondContact O-CG 3.48Å; Q13-E17 PolarHBondContact O-N 2.94Å
14Q87.7Confident85Confident86 Ų8697.4 Ų97.440%0.40249%0.485SS..Hα-helixtrans-59.8-39.2176.4-70.8-178.633.900112.4D10 Y11 E17 K18D10-Q14 WeakPolarHBondContact O-CG 3.43Å; D10-Q14 PolarHBondContact O-N 3.46Å; D10-Q14 PolarHBondContact OD2-NE2 2.9Å; Y11-Q14 PolarHBondContact O-N 3.32Å; Q14-E17 PolarHBondContact O-N 3.21Å; Q14-K18 WeakPolarHBondContact O-CB 3.44Å; Q14-K18 WeakPolarHBondContact O-CG 3.43Å; Q14-K18 PolarHBondContact O-N 3.03Å
15C86.8Confident85.4Confident14 Ų1496 Ų9610%0.09549%0.493CS..Hα-helixtrans-61.4-49.1175.4-71.40000110.9Y11 L12 Q13 E17 K18 I19 F32Y11-C15 WeakPolarHBondContact O-CB 3.48Å; Y11-C15 PolarHBondContact O-N 2.84Å; Y11-C15 PolarHBondContact O-SG 3.2Å; L12-C15 WeakPolarHBondContact O-CB 3.46Å; L12-C15 PolarHBondContact O-N 3.15Å; Q13-C15 VanDerWaalsContact C-N 3.3Å; Q13-C15 PolarHBondContact O-N 3.34Å; C15-E17 PolarHBondContact O-N 3.16Å; C15-K18 PolarHBondContact O-N 3.19Å; C15-I19 VanDerWaalsContact O-CG1 3.25Å; C15-I19 WeakPolarHBondContact O-CG1 3.49Å; C15-I19 PolarHBondContact O-N 2.92Å; C15-F32 HydrophobicContact CB-CD1 3.99Å; C15-F32 HydrophobicContact CB-CE1 3.62Å; C15-F32 HydrophobicContact CB-CZ 3.98Å; C15-F32 WeakPolarHBondContact SG-CD1 3.24Å
16I88.5Confident85.3Confident93 Ų9397 Ų9748%0.47750%0.5SS..Hα-helixtrans-62.5-41.8178.8-67166.2000111.1L12 Q13 I19 R20L12-I16 VanDerWaalsContact O-CG1 3.32Å; L12-I16 WeakPolarHBondContact O-CG1 3.32Å; L12-I16 PolarHBondContact O-N 2.67Å; Q13-I16 PolarHBondContact O-N 3.27Å; I16-I19 PolarHBondContact O-N 3.1Å; I16-R20 WeakPolarHBondContact O-CB 3.23Å; I16-R20 PolarHBondContact O-N 3.32Å
17E89.3Confident85.3Confident97 Ų9791.4 Ų91.445%0.45347%0.472SS..Hα-helixtrans-64-42.5177.4-74.1175.4-174.700112.3Q13 Q14 C15 R20 A21Q13-E17 HydrophobicContact CG-CG 4.47Å; Q13-E17 WeakPolarHBondContact CG-OE1 3.48Å; Q13-E17 PolarHBondContact NE2-OE1 3.48Å; Q13-E17 WeakPolarHBondContact O-CG 3.48Å; Q13-E17 PolarHBondContact O-N 2.94Å; Q14-E17 PolarHBondContact O-N 3.21Å; C15-E17 PolarHBondContact O-N 3.16Å; E17-R20 PolarHBondContact O-N 3.13Å; E17-A21 WeakPolarHBondContact O-CB 3.25Å; E17-A21 PolarHBondContact O-N 3.18Å
18K84.9Confident84.8Confident104 Ų10494.7 Ų94.745%0.45248%0.478SS..Hα-helixtrans-60.9-44.2174.7-82.9179.8177.8176.70112.4Q14 C15 A21 N22 F32Q14-K18 WeakPolarHBondContact O-CB 3.44Å; Q14-K18 WeakPolarHBondContact O-CG 3.43Å; Q14-K18 PolarHBondContact O-N 3.03Å; C15-K18 PolarHBondContact O-N 3.19Å; K18-A21 PolarHBondContact O-N 3.06Å; K18-N22 PolarHBondContact O-N 2.86Å; K18-N22 VanDerWaalsContact O-N 3.09Å; K18-F32 HydrophobicContact CB-CE1 4.44Å; K18-F32 HydrophobicContact CD-CE1 4.44Å
19I88.7Confident84.3Confident35 Ų3599.3 Ų99.318%0.17949%0.491CS..Hα-helixtrans-62.7-44.7176.3-66.9174.6000110.2C15 I16 A21 N22 G23 M24 V27 F32C15-I19 VanDerWaalsContact O-CG1 3.25Å; C15-I19 WeakPolarHBondContact O-CG1 3.49Å; C15-I19 PolarHBondContact O-N 2.92Å; I16-I19 PolarHBondContact O-N 3.1Å; I19-A21 VanDerWaalsContact C-N 3.3Å; I19-A21 PolarHBondContact O-N 3.36Å; I19-N22 PolarHBondContact O-N 2.92Å; I19-G23 CarbonylContact O-C 3.54Å; I19-G23 WeakPolarHBondContact O-CA 3.3Å; I19-G23 PolarHBondContact O-N 2.88Å; I19-M24 HydrophobicContact CG2-CE 3.26Å; I19-V27 HydrophobicContact CB-CG2 4.38Å; I19-V27 HydrophobicContact CD1-CG2 4.11Å; I19-V27 HydrophobicContact CG1-CG2 3.78Å; I19-V27 HydrophobicContact CG2-CG2 3.91Å; I19-F32 HydrophobicContact CD1-CZ 3.85Å; I19-F32 HydrophobicContact CG1-CZ 3.83Å
20R85.9Confident83.7Confident195 Ų19595.4 Ų95.474%0.73647%0.47SS*.Hα-helixtrans-62.8-37.1179.1-169.4-176.2-66.6164.40.3112.1I16 E17I16-R20 WeakPolarHBondContact O-CB 3.23Å; I16-R20 PolarHBondContact O-N 3.32Å; E17-R20 PolarHBondContact O-N 3.13Å
21A83.6Confident83.1Confident82 Ų8294.4 Ų94.468%0.67847%0.465SS*.Hα-helixtrans-70.4-37.617800000113E17 K18 I19E17-A21 WeakPolarHBondContact O-CB 3.25Å; E17-A21 PolarHBondContact O-N 3.18Å; K18-A21 PolarHBondContact O-N 3.06Å; I19-A21 VanDerWaalsContact C-N 3.3Å; I19-A21 PolarHBondContact O-N 3.36Å
22N83.2Confident82.5Confident102 Ų10294 Ų9455%0.54547%0.465SS..Hα-helixtrans-98.4-11-173.9-63.6-15.5000114.1K18 I19 S26K18-N22 PolarHBondContact O-N 2.86Å; K18-N22 VanDerWaalsContact O-N 3.09Å; I19-N22 PolarHBondContact O-N 2.92Å; N22-S26 WeakPolarHBondContact CB-OG 3.47Å; N22-S26 WeakPolarHBondContact O-CB 3.39Å; N22-S26 PolarHBondContact O-OG 3.48Å
23G80.1Confident81.6Confident32 Ų3292.3 Ų92.333%0.3346%0.456SS..  trans83.5151.9-174.800000113.1I19 D25 S26I19-G23 CarbonylContact O-C 3.54Å; I19-G23 WeakPolarHBondContact O-CA 3.3Å; I19-G23 PolarHBondContact O-N 2.88Å; G23-D25 PolarHBondContact O-N 3.47Å; G23-S26 WeakPolarHBondContact O-CB 3.24Å; G23-S26 PolarHBondContact O-N 3.21Å; G23-S26 VanDerWaalsContact O-N 3.1Å; G23-S26 PolarHBondContact O-OG 3.27Å
24M82.4Confident80.3Confident137 Ų13794.6 Ų94.668%0.67547%0.466SS*.G310 helixtrans-56.3-34.4-177.5-83.8-9690.500113.3I19 S26 V27I19-M24 HydrophobicContact CG2-CE 3.26Å; M24-S26 PolarHBondContact O-N 3.46Å; M24-S26 VanDerWaalsContact O-N 3.16Å; M24-V27 HydrophobicContact CE-CG2 4.17Å; M24-V27 WeakPolarHBondContact O-CG2 3.13Å; M24-V27 PolarHBondContact O-N 3.17Å
25D81.5Confident78.8Confident171 Ų17196 Ų9691%0.91449%0.485SS*.G310 helixtrans-71.1-11.9-176.6-51.6-29.7000113G23G23-D25 PolarHBondContact O-N 3.47Å
26S77.5Confident77.4Confident40 Ų40103.6 Ų103.628%0.2852%0.517SS..G310 helixtrans-90.4-3.8-179.773.70000114.1N22 G23 M24 R28N22-S26 WeakPolarHBondContact CB-OG 3.47Å; N22-S26 WeakPolarHBondContact O-CB 3.39Å; N22-S26 PolarHBondContact O-OG 3.48Å; G23-S26 WeakPolarHBondContact O-CB 3.24Å; G23-S26 PolarHBondContact O-N 3.21Å; G23-S26 VanDerWaalsContact O-N 3.1Å; G23-S26 PolarHBondContact O-OG 3.27Å; M24-S26 PolarHBondContact O-N 3.46Å; M24-S26 VanDerWaalsContact O-N 3.16Å; S26-R28 PolarHBondContact O-N 3.03Å
27V80.9Confident75.2Confident61 Ų61105 Ų10537%0.3753%0.532SS..  trans-73.2113.3-175.4-177.20000110.2I19 M24I19-V27 HydrophobicContact CB-CG2 4.38Å; I19-V27 HydrophobicContact CD1-CG2 4.11Å; I19-V27 HydrophobicContact CG1-CG2 3.78Å; I19-V27 HydrophobicContact CG2-CG2 3.91Å; M24-V27 HydrophobicContact CE-CG2 4.17Å; M24-V27 WeakPolarHBondContact O-CG2 3.13Å; M24-V27 PolarHBondContact O-N 3.17Å
28R77Confident73Confident160 Ų160106.4 Ų106.460%0.60455%0.547SS*.  trans-108.6155.8172.5-66.5172.546.2142.9-2.1110.7S26 D30 L31S26-R28 PolarHBondContact O-N 3.03Å; R28-D30 WeakPolarHBondContact CB-OD1 3.22Å; R28-D30 IonicContact CZ-OD1 2.87Å; R28-D30 IonicContact CZ-OD2 3.75Å; R28-D30 IonicContact NE-OD1 3.63Å; R28-D30 PolarHBondContact NE-OD1 3.31Å; R28-D30 IonicContact NE-OD2 3.83Å; R28-D30 IonicContact NH2-OD1 3.16Å; R28-D30 PolarHBondContact NH2-OD1 2.94Å; R28-D30 IonicContact NH2-OD2 2.88Å; R28-D30 PolarHBondContact NH2-OD2 3Å; R28-D30 PolarHBondContact O-N 3.04Å; R28-D30 VanDerWaalsContact O-N 3.12Å; R28-L31 VanDerWaalsContact O-CB 3.24Å; R28-L31 WeakPolarHBondContact O-CB 3.27Å; R28-L31 PolarHBondContact O-N 3.17Å; R28-L31 VanDerWaalsContact O-N 3.1Å
29W73.7Confident70.6Confident209 Ų209109.5 Ų109.579%0.79256%0.563SS**THydrogen-bonded Turntrans-58-28.2-179.996.5-72000113.4M1M1-W29 HydrophobicContact SD-CH2 4.05Å
30D73Confident67.8Low54 Ų54117.3 Ų117.329%0.28960%0.596SS.*THydrogen-bonded Turntrans-96-1.1-177.156.9-18.9000114R28 F32 L33R28-D30 WeakPolarHBondContact CB-OD1 3.22Å; R28-D30 IonicContact CZ-OD1 2.87Å; R28-D30 IonicContact CZ-OD2 3.75Å; R28-D30 IonicContact NE-OD1 3.63Å; R28-D30 PolarHBondContact NE-OD1 3.31Å; R28-D30 IonicContact NE-OD2 3.83Å; R28-D30 IonicContact NH2-OD1 3.16Å; R28-D30 PolarHBondContact NH2-OD1 2.94Å; R28-D30 IonicContact NH2-OD2 2.88Å; R28-D30 PolarHBondContact NH2-OD2 3Å; R28-D30 PolarHBondContact O-N 3.04Å; R28-D30 VanDerWaalsContact O-N 3.12Å; D30-F32 PolarHBondContact O-N 3.39Å; D30-L33 HydrophobicContact CB-CD1 4.06Å; D30-L33 WeakPolarHBondContact O-CB 3.43Å; D30-L33 PolarHBondContact O-N 3.25Å
31L75.6Confident65.4Low50 Ų50115.4 Ų115.426%0.26260%0.599SS.*THydrogen-bonded Turntrans-57.5-29.4-171.6-174.865.9000113.9R28R28-L31 VanDerWaalsContact O-CB 3.24Å; R28-L31 WeakPolarHBondContact O-CB 3.27Å; R28-L31 PolarHBondContact O-N 3.17Å; R28-L31 VanDerWaalsContact O-N 3.1Å
32F74Confident62.8Low49 Ų49116.8 Ų116.822%0.21560%0.604CS.*THydrogen-bonded Turntrans-105.97.1-178.3-46.7-69.1000113.5Y11 C15 K18 I19 D30Y11-F32 VanDerWaalsContact OH-CB 3.23Å; Y11-F32 WeakPolarHBondContact OH-CB 3.39Å; Y11-F32 PolarHBondContact OH-O 3.19Å; C15-F32 HydrophobicContact CB-CD1 3.99Å; C15-F32 HydrophobicContact CB-CE1 3.62Å; C15-F32 HydrophobicContact CB-CZ 3.98Å; C15-F32 WeakPolarHBondContact SG-CD1 3.24Å; K18-F32 HydrophobicContact CB-CE1 4.44Å; K18-F32 HydrophobicContact CD-CE1 4.44Å; I19-F32 HydrophobicContact CD1-CZ 3.85Å; I19-F32 HydrophobicContact CG1-CZ 3.83Å; D30-F32 PolarHBondContact O-N 3.39Å
33L69.5Low60.3Low62 Ų62119.8 Ų119.833%0.32562%0.619SS.*SBendtrans-85.8128.8173.8-60.9176.7000109.3M1 D30 S35M1-L33 HydrophobicContact CE-CD1 3.59Å; M1-L33 HydrophobicContact CE-CD2 3.97Å; M1-L33 HydrophobicContact CE-CG 4.38Å; D30-L33 HydrophobicContact CB-CD1 4.06Å; D30-L33 WeakPolarHBondContact O-CB 3.43Å; D30-L33 PolarHBondContact O-N 3.25Å; L33-S35 PolarHBondContact O-N 3.05Å; L33-S35 VanDerWaalsContact O-N 3.15Å
34Q62.4Low58Low153 Ų153126.5 Ų126.572%0.71564%0.641SS**  trans-66.1115.5171.5-69.4-177.6-0.800109.2K36Q34-K36 VanDerWaalsContact C-N 3.32Å; Q34-K36 PolarHBondContact O-N 2.99Å
35S57Low55.3Low115 Ų115125.1 Ų125.180%0.80464%0.641SS**  trans-70.188.3170.5530000109.2L33 P37L33-S35 PolarHBondContact O-N 3.05Å; L33-S35 VanDerWaalsContact O-N 3.15Å; S35-P37 WeakPolarHBondContact O-CD 3.41Å
36K56.1Low52.6Low174 Ų174125.9 Ų125.976%0.75764%0.636SS**  trans-64.1124.2165.9-82.7-174.4177.51790107.9Q34 V38Q34-K36 VanDerWaalsContact C-N 3.32Å; Q34-K36 PolarHBondContact O-N 2.99Å; K36-V38 PolarHBondContact O-N 2.97Å; K36-V38 VanDerWaalsContact O-N 3.13Å
37P42.9Very low50.1Low122 Ų122129.7 Ų129.779%0.79266%0.658SS**  trans-63.1118.3177.623.1-29.4000109.1S35 E39S35-P37 WeakPolarHBondContact O-CD 3.41Å; P37-E39 PolarHBondContact O-N 3.1Å
38V42.1Very low47.4Very low128 Ų128136 Ų13678%0.77668%0.681SS**  trans-74.9100.4170.8-179.30000106.6K36 K40K36-V38 PolarHBondContact O-N 2.97Å; K36-V38 VanDerWaalsContact O-N 3.13Å; V38-K40 PolarHBondContact O-N 2.95Å
39E35.2Very low45Very low168 Ų168133.9 Ų133.979%0.78569%0.685SS**  trans-61.8107.4171.1-87.7-178.8157.700109.1P37 L41P37-E39 PolarHBondContact O-N 3.1Å; E39-L41 PolarHBondContact O-N 3.12Å
40K29.2Very low42.7Very low200 Ų200130.5 Ų130.587%0.8768%0.682SS**  trans-73.3101.4173.3-70.5179.7178179.30108.5V38 S42V38-K40 PolarHBondContact O-N 2.95Å; K40-S42 PolarHBondContact O-N 3.42Å
41L35.9Very low40.5Very low155 Ų155136.1 Ų136.181%0.81271%0.707SS**  trans-73.1113.9170.2-91.296000110.4E39E39-L41 PolarHBondContact O-N 3.12Å
42S29.9Very low38.2Very low111 Ų111140.9 Ų140.978%0.77673%0.732SS**  trans-72119.8173.539.50000111.4K40 H44K40-S42 PolarHBondContact O-N 3.42Å; S42-H44 PolarHBondContact O-N 2.97Å
43L30.7Very low36Very low165 Ų165143.5 Ų143.586%0.86476%0.757SS**  trans-72106.3175.6-78127.3000111.4
44H30.5Very low34.1Very low172 Ų172145.5 Ų145.580%0.79678%0.776SS**  trans-13597.5159.6-88-56.9000112.1S42S42-H44 PolarHBondContact O-N 2.97Å
45T26.2Very low32.5Very low108 Ų108146.2 Ų146.266%0.66378%0.78SS**  29.5122.712750.20000120.6
46K24.7Very low31.3Very low187 Ų187150.1 Ų150.181%0.81379%0.785SS**  99.7129.5126.2-78.6177.2179.8-179.50120.1
47T24.6Very low30Very low121 Ų121149.4 Ų149.474%0.74279%0.789SS**  trans84111.8138.338.70000120.8
48K25.2Very low29.3Very low194 Ų194147.8 Ų147.884%0.84379%0.786SS**  35.2132.8128.3-63.4-175.8170-175.40118.6
49V26Very low28.7Very low115 Ų115148.9 Ų148.970%0.69779%0.786SS**  149.2127.8117.7170.90000110.7
50D26.7Very low28.5Very low137 Ų137145.9 Ų145.973%0.73378%0.781SS**  trans58.7125.8150.5-55.5-12.9000124.9
51E26.3Very low28.7Very low173 Ų173146 Ų14681%0.80878%0.782SS**  29.8137.9127.3-61.6-170.5155.900121.6
52D26.8Very low28.8Very low149 Ų149143.4 Ų143.480%0.79777%0.768SS**  trans88.2125.5157.3-73.6-18000120.7
53S29.1Very low29.6Very low104 Ų104145.3 Ų145.373%0.72777%0.769SS**  trans85.199148.565.70000119.7
54S29.3Very low30.7Very low105 Ų105141.9 Ų141.973%0.73476%0.759SS**  72.4134122.774.10000120.7
55Q28.4Very low32.2Very low168 Ų168135 Ų13579%0.78573%0.729SS**  trans87.6101.5159.5-54.9-169.4-0.700116.5D57Q55-D57 PolarHBondContact O-N 3.02Å
56H31Very low34.8Very low197 Ų197139.9 Ų139.991%0.91274%0.736SS**  trans18.190.9144.8-67-68.7000116.8
57D30.1Very low37.8Very low159 Ų159132.6 Ų132.685%0.8571%0.705SS**  trans-132.2121.3160.2-89.7-37.7000111.1Q55Q55-D57 PolarHBondContact O-N 3.02Å
58A27.8Very low40.9Very low88 Ų88130.6 Ų130.673%0.72770%0.696SS**  trans30.1114.7158.900000119.1
59I28.3Very low44.1Very low151 Ų151122.3 Ų122.377%0.77466%0.661SS**  trans-44124158.9-59163000108.8K61I59-K61 PolarHBondContact O-N 3.48Å
60P31.7Very low47Very low105 Ų105120.4 Ų120.468%0.68264%0.643SS**  trans-60127178.2-17.828.9000109.2I62P60-I62 PolarHBondContact O-N 3.31Å
61K32.8Very low49.8Very low203 Ų203122.3 Ų122.388%0.88365%0.648SS**  trans-56.9108.8167.5-74.5178.2178.2175.50107.1I59 D63I59-K61 PolarHBondContact O-N 3.48Å; K61-D63 PolarHBondContact O-N 3.18Å
62I37.9Very low52.8Low100 Ų100119.1 Ų119.151%0.51364%0.636SS.*  trans-61.2104.3179.6-63.5167.7000107P60 S64P60-I62 PolarHBondContact O-N 3.31Å; I62-S64 PolarHBondContact O-N 3.41Å
63D47.7Very low56Low151 Ų151112 Ų11281%0.80760%0.599SS**  trans-46.8128.2156-84.2-34.4000106.8K61K61-D63 PolarHBondContact O-N 3.18Å
64S53.2Low59.2Low92 Ų92107.3 Ų107.364%0.64357%0.565SS**  trans-41117.8-175.9-53.20000109.8I62 R66I62-S64 PolarHBondContact O-N 3.41Å; S64-R66 PolarHBondContact O-N 3.03Å
65P62.5Low62.4Low28 Ų28102.4 Ų102.418%0.18253%0.531CS..  trans-58.8111.4-167.219.5-30000108.5E144 L147P65-E144 HydrophobicContact CG-CG 4.39Å; P65-L147 HydrophobicContact CB-CB 4.19Å; P65-L147 HydrophobicContact CB-CD1 4.42Å; P65-L147 HydrophobicContact CG-CB 4.26Å; P65-L147 HydrophobicContact CG-CD1 4.03Å; P65-L147 WeakPolarHBondContact O-CD1 3.31Å
66R81.1Confident65.6Low210 Ų21094.4 Ų94.479%0.79249%0.494SS*.  trans-75.3142.1169.6-71.2-175.5176.3168-0.3107.6S64 C68 N151S64-R66 PolarHBondContact O-N 3.03Å; R66-C68 PolarHBondContact O-N 3.2Å; R66-N151 PolarHBondContact O-ND2 3.41Å
67L88.2Confident68.8Low34 Ų3485 Ų8518%0.17845%0.45CS..  trans-69.3126.5173.2-173.769.8000109.2V69 L147 L150 Y177 V178L67-V69 HydrophobicContact CD1-CG1 3.82Å; L67-V69 HydrophobicContact CD1-CG2 4.22Å; L67-V69 HydrophobicContact CD2-CG2 3.7Å; L67-V69 HydrophobicContact CG-CG1 4.16Å; L67-V69 HydrophobicContact CG-CG2 3.78Å; L67-L147 HydrophobicContact CB-CD2 4.3Å; L67-L147 HydrophobicContact CD1-CD2 3.94Å; L67-L150 HydrophobicContact CD1-CB 3.74Å; L67-L150 HydrophobicContact CD1-CD1 3.78Å; L67-L150 HydrophobicContact CD1-CG 4.42Å; L67-Y177 WeakPolarHBondContact CB-O 3.35Å; L67-Y177 WeakPolarHBondContact CD2-O 3.36Å; L67-V178 HydrophobicContact CD2-CB 4.28Å; L67-V178 HydrophobicContact CD2-CG1 4.35Å; L67-V178 HydrophobicContact CD2-CG2 4.14Å
68C89Confident71.9Confident80 Ų8077.5 Ų77.554%0.54141%0.41SS..  trans-122.168.4-179.9-66.90000109.1R66 N151 S154R66-C68 PolarHBondContact O-N 3.2Å; C68-N151 PolarHBondContact N-OD1 3.25Å; C68-S154 WeakPolarHBondContact O-CB 3.19Å
69V91.6Very high75.1Confident20 Ų2073.5 Ų73.512%0.12138%0.376CS..SBendtrans-125.1167.2174-54.60000109.1L67 T73 L150 F159L67-V69 HydrophobicContact CD1-CG1 3.82Å; L67-V69 HydrophobicContact CD1-CG2 4.22Å; L67-V69 HydrophobicContact CD2-CG2 3.7Å; L67-V69 HydrophobicContact CG-CG1 4.16Å; L67-V69 HydrophobicContact CG-CG2 3.78Å; V69-T73 HydrophobicContact CB-CG2 4.44Å; V69-T73 HydrophobicContact CG2-CG2 4.14Å; V69-L150 HydrophobicContact CG1-CB 4.34Å; V69-F159 HydrophobicContact CB-CE2 4.45Å; V69-F159 HydrophobicContact CG1-CE2 3.94Å; V69-F159 HydrophobicContact CG1-CZ 4.22Å
70K88.3Confident78.1Confident74 Ų7466.6 Ų66.632%0.32234%0.342SS..  trans-58.2157.5178.3-54.8167.9173.1161.60111.6D72 T73 D155 D157 R182K70-D72 VanDerWaalsContact C-N 3.34Å; K70-D72 WeakPolarHBondContact CB-OD1 3.39Å; K70-T73 WeakPolarHBondContact CB-OG1 3.29Å; K70-T73 PolarHBondContact N-OG1 3.25Å; K70-T73 WeakPolarHBondContact O-CB 3.39Å; K70-T73 PolarHBondContact O-OG1 3.29Å; K70-D155 WeakPolarHBondContact CE-O 3.48Å; K70-D155 PolarHBondContact NZ-O 3.48Å; K70-D157 IonicContact NZ-OD1 3.76Å; K70-D157 PolarHBondContact NZ-OD1 3.3Å; K70-R182 PolarHBondContact O-NE 2.84Å; K70-R182 PolarHBondContact O-NH2 2.92Å; K70-R182 VanDerWaalsContact O-NH2 3.14Å
71E85.5Confident80.7Confident177 Ų17761.7 Ų61.783%0.82731%0.31SS*.THydrogen-bonded Turntrans-69.4-34.2179.3-69.2-177.3178.200112.4
72D89Confident83.3Confident106 Ų10653.3 Ų53.357%0.56728%0.276SS*.THydrogen-bonded Turntrans-86.70.2179.762.9-31000114.2K70 V74K70-D72 VanDerWaalsContact C-N 3.34Å; K70-D72 WeakPolarHBondContact CB-OD1 3.39Å; D72-V74 PolarHBondContact O-N 3.08Å
73T94Very high85.3Confident1 Ų148.8 Ų48.81%0.00625%0.254CS..  trans-55.1123.2179.3-64.30000111.2V69 K70 V75 D157 F159 R182V69-T73 HydrophobicContact CB-CG2 4.44Å; V69-T73 HydrophobicContact CG2-CG2 4.14Å; K70-T73 WeakPolarHBondContact CB-OG1 3.29Å; K70-T73 PolarHBondContact N-OG1 3.25Å; K70-T73 WeakPolarHBondContact O-CB 3.39Å; K70-T73 PolarHBondContact O-OG1 3.29Å; T73-V75 HydrophobicContact CG2-CG2 4.48Å; T73-D157 WeakPolarHBondContact CA-O 3.41Å; T73-F159 HydrophobicContact CG2-CD2 3.51Å; T73-F159 HydrophobicContact CG2-CE2 3.6Å; T73-R182 VanDerWaalsContact O-CB 3.27Å; T73-R182 WeakPolarHBondContact O-CB 3.26Å; T73-R182 VanDerWaalsContact O-CG 3.27Å; T73-R182 WeakPolarHBondContact O-CG 3.46Å
74V95.1Very high86.9Confident4 Ų442.1 Ų42.12%0.02422%0.219CC..EExtended strand (participates in β ladder)trans-84.5132.3177.3173.70000110.4D72 I76 F100 D157 G158 F159 K184 I267 N270D72-V74 PolarHBondContact O-N 3.08Å; V74-I76 HydrophobicContact CG1-CD1 4.35Å; V74-I76 HydrophobicContact CG1-CG1 4.14Å; V74-F100 HydrophobicContact CB-CE1 3.92Å; V74-F100 HydrophobicContact CB-CZ 3.77Å; V74-F100 HydrophobicContact CG1-CE1 3.87Å; V74-F100 HydrophobicContact CG1-CZ 4Å; V74-F100 HydrophobicContact CG2-CZ 4.4Å; V74-D157 PolarHBondContact N-O 3.17Å; V74-G158 CarbonylContact O-C 3.53Å; V74-G158 WeakPolarHBondContact O-CA 3.38Å; V74-F159 PolarHBondContact O-N 2.95Å; V74-K184 HydrophobicContact CG1-CB 4.47Å; V74-K184 HydrophobicContact CG1-CG 3.78Å; V74-I267 HydrophobicContact CG1-CG1 4.35Å; V74-N270 WeakPolarHBondContact CG2-ND2 3.25Å
75V97Very high87.7Confident2 Ų241.3 Ų41.31%0.01221%0.207CC..EExtended strand (participates in β ladder)trans-119.5125173.4178.20000109.8T73 F159 I161 V178 R182 L183 K184T73-V75 HydrophobicContact CG2-CG2 4.48Å; V75-F159 WeakPolarHBondContact CA-O 3.27Å; V75-F159 HydrophobicContact CG2-CB 4.46Å; V75-F159 HydrophobicContact CG2-CD2 4.46Å; V75-I161 HydrophobicContact CG1-CD1 3.58Å; V75-I161 HydrophobicContact CG1-CG1 4.34Å; V75-V178 HydrophobicContact CB-CG1 4.25Å; V75-V178 HydrophobicContact CG1-CG1 4.44Å; V75-V178 HydrophobicContact CG2-CG1 3.75Å; V75-R182 HydrophobicContact CG2-CB 4.31Å; V75-R182 PolarHBondContact N-O 2.94Å; V75-L183 HydrophobicContact CG1-CD1 4.11Å; V75-L183 CarbonylContact O-C 3.49Å; V75-L183 WeakPolarHBondContact O-CA 3.39Å; V75-K184 PolarHBondContact O-N 3.49Å
76I96.5Very high88.1Confident0 Ų042.8 Ų42.80%021%0.209CC..EExtended strand (participates in β ladder)trans-121130173.6-64173.7000107.4V74 F159 I160 I161 C185 I187 C263 M266 I267V74-I76 HydrophobicContact CG1-CD1 4.35Å; V74-I76 HydrophobicContact CG1-CG1 4.14Å; I76-F159 PolarHBondContact N-O 3.05Å; I76-I160 CarbonylContact O-C 3.58Å; I76-I160 WeakPolarHBondContact O-CA 3.47Å; I76-I161 PolarHBondContact O-N 3.23Å; I76-C185 WeakPolarHBondContact CA-O 3.22Å; I76-I187 HydrophobicContact CG2-CD1 4.08Å; I76-I187 HydrophobicContact CG2-CG1 4.37Å; I76-C263 HydrophobicContact CD1-CB 4.31Å; I76-M266 HydrophobicContact CD1-CB 4.29Å; I76-I267 HydrophobicContact CD1-CD1 4.28Å; I76-I267 HydrophobicContact CD1-CG1 4.17Å
77C97.5Very high87.6Confident0 Ų036 Ų360%019%0.193CC..EExtended strand (participates in β ladder)trans-100.1146.2174.4-67.70000110.4I161 F164 C185 A186 I187C77-I161 CarbonylContact C-O 3.34Å; C77-I161 VanDerWaalsContact CA-O 3.31Å; C77-I161 WeakPolarHBondContact CA-O 3.03Å; C77-F164 WeakPolarHBondContact CB-O 3.32Å; C77-C185 PolarHBondContact N-O 2.9Å; C77-A186 HydrophobicContact CB-CB 3.85Å; C77-A186 CarbonylContact O-C 3.59Å; C77-A186 WeakPolarHBondContact O-CA 3.25Å; C77-I187 PolarHBondContact O-N 3.25Å
78I95.5Very high86.9Confident2 Ų238.4 Ų38.41%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-120.7116.7168.7-57.9177000107.8L93 I160 I161 Y162 G163 I187 L189 I259I78-L93 HydrophobicContact CD1-CD1 4Å; I78-I160 HydrophobicContact CD1-CG2 3.6Å; I78-I160 HydrophobicContact CG1-CG2 4.02Å; I78-I161 PolarHBondContact N-O 3.11Å; I78-Y162 HydrophobicContact CB-CD2 3.88Å; I78-Y162 HydrophobicContact CG2-CD2 3.69Å; I78-Y162 HydrophobicContact CG2-CE2 4.02Å; I78-Y162 CarbonylContact O-C 3.59Å; I78-G163 PolarHBondContact O-N 2.82Å; I78-I187 CarbonylContact C-O 3.58Å; I78-I187 WeakPolarHBondContact CA-O 3.29Å; I78-I187 HydrophobicContact CG1-CB 4.39Å; I78-L189 HydrophobicContact CG2-CD1 4.13Å; I78-L189 HydrophobicContact CG2-CG 4.17Å; I78-I259 HydrophobicContact CD1-CG2 4.45Å
79I95.3Very high86.7Confident3 Ų335.1 Ų35.12%0.01518%0.183CC..EExtended strand (participates in β ladder)trans-108.2136.9178.4-55173.3000106.9P165 A186 I187 L188 L189 F226 T230 I237I79-P165 HydrophobicContact CD1-CG 4.23Å; I79-A186 HydrophobicContact CD1-CB 4.05Å; I79-I187 PolarHBondContact N-O 3.18Å; I79-L188 HydrophobicContact CB-CD1 4.22Å; I79-L188 HydrophobicContact CG2-CD1 3.94Å; I79-L188 CarbonylContact O-C 3.54Å; I79-L188 WeakPolarHBondContact O-CA 3.48Å; I79-L189 PolarHBondContact O-N 3.48Å; I79-F226 HydrophobicContact CG2-CE2 4.48Å; I79-T230 HydrophobicContact CG2-CG2 3.44Å; I79-T230 VanDerWaalsContact CG2-CG2 3.44Å; I79-I237 HydrophobicContact CD1-CD1 3.61Å
80S90.6Very high86.4Confident7 Ų735.3 Ų35.35%0.04919%0.185CC..EExtended strand (participates in β ladder)trans-144.5157.2173.874.10000111.3Y162 F226S80-Y162 PolarHBondContact OG-OH 2.67Å; S80-F226 WeakPolarHBondContact O-CE2 3.46Å
81G86.8Confident86.2Confident1 Ų138 Ų381%0.0120%0.199CC..  trans-56.9156160.700000110.8F226G81-F226 VanDerWaalsContact CA-CE2 3.48Å; G81-F226 VanDerWaalsContact N-CE2 3.27Å
82P86.4Confident86.3Confident28 Ų2833 Ų3318%0.18218%0.175CC..THydrogen-bonded Turntrans-69.1153.2179.229-30000110.6S196 L200 C222 L223P82-S196 WeakPolarHBondContact CD-OG 3.28Å; P82-S196 VanDerWaalsContact CG-OG 3.28Å; P82-S196 WeakPolarHBondContact CG-OG 3.2Å; P82-S196 WeakPolarHBondContact O-CA 3.35Å; P82-S196 WeakPolarHBondContact O-CB 3.23Å; P82-S196 PolarHBondContact O-OG 3.49Å; P82-L200 HydrophobicContact CB-CD1 3.91Å; P82-L200 HydrophobicContact CB-CD2 4.26Å; P82-L200 HydrophobicContact CB-CG 4.43Å; P82-L200 HydrophobicContact CG-CD1 3.98Å; P82-C222 HydrophobicContact CB-CB 4.28Å; P82-C222 HydrophobicContact CG-CB 4.04Å; P82-L223 HydrophobicContact CG-CD2 3.94Å
83G81.6Confident86.3Confident5 Ų528 Ų285%0.05215%0.148CC..THydrogen-bonded Turntrans100.3-18.9176.400000116.7R199G83-R199 WeakPolarHBondContact O-CB 3.31Å
84I81.2Confident86Confident11 Ų1132 Ų326%0.05617%0.169CC..  trans-60.1139.5176.8-57.3-167.7000111.5L189 I191I84-L189 HydrophobicContact CD1-CB 3.76Å; I84-L189 HydrophobicContact CD1-CD1 4.08Å; I84-I191 HydrophobicContact CD1-CD1 4.11Å; I84-I191 HydrophobicContact CD1-CG1 4.48Å; I84-I191 HydrophobicContact CD1-CG2 3.66Å; I84-I191 HydrophobicContact CG1-CD1 3.8Å; I84-I191 HydrophobicContact CG1-CG2 4.22Å
85D68.8Low85.7Confident75 Ų7538.4 Ų38.440%0.40120%0.2SC..  trans-76.3129172.8-150.1-39.6000110.3S87 R199D85-S87 PolarHBondContact OD1-N 2.77Å; D85-S87 PolarHBondContact OD1-OG 2.73Å; D85-R199 IonicContact OD2-NH2 3.52Å
86R71.9Confident85.4Confident58 Ų5843.1 Ų43.122%0.21922%0.222CC..  trans-99.3-24.3-167.3-62169.9-74162.15.3112.1I88 S90 D107 Y162R86-I88 PolarHBondContact O-N 3.35Å; R86-S90 PolarHBondContact O-N 3.07Å; R86-S90 PolarHBondContact O-OG 2.63Å; R86-D107 IonicContact CZ-OD1 2.56Å; R86-D107 IonicContact CZ-OD2 3.62Å; R86-D107 IonicContact NH1-OD1 3.65Å; R86-D107 PolarHBondContact NH1-OD1 3.07Å; R86-D107 IonicContact NH1-OD2 2.79Å; R86-D107 PolarHBondContact NH1-OD2 3.4Å; R86-D107 IonicContact NH2-OD1 3.45Å; R86-D107 IonicContact NH2-OD2 3.35Å; R86-Y162 HydrophobicContact CG-CE1 3.8Å
87S69.5Low85.2Confident67 Ų6744.1 Ų44.147%0.46923%0.226SC..Hα-helixtrans-64.3-50.9-159.2-38.80000111.3D85 S90 E91D85-S87 PolarHBondContact OD1-N 2.77Å; D85-S87 PolarHBondContact OD1-OG 2.73Å; S87-S90 PolarHBondContact O-N 2.76Å; S87-S90 PolarHBondContact O-OG 3.41Å; S87-E91 PolarHBondContact O-N 2.92Å
88I74.8Confident84.8Confident85 Ų8549.2 Ų49.244%0.43626%0.259SS..Hα-helixtrans-66.9-45.6-174-59.2173.4000111.6R86 S90 E91 E92 C252R86-I88 PolarHBondContact O-N 3.35Å; I88-S90 VanDerWaalsContact C-N 3.29Å; I88-S90 PolarHBondContact O-N 2.89Å; I88-E91 PolarHBondContact O-N 3.03Å; I88-E92 PolarHBondContact O-N 2.7Å; I88-C252 HydrophobicContact CG2-CB 4.48Å
89I83.7Confident84.6Confident12 Ų1255.7 Ų55.76%0.06229%0.287CS..Hα-helixtrans-64-38.2-177.6-60.8172.7000110.7L93 I255 L256 I259I89-L93 HydrophobicContact CG2-CD1 3.71Å; I89-L93 HydrophobicContact CG2-CG 4.18Å; I89-L93 WeakPolarHBondContact O-CB 3.09Å; I89-L93 VanDerWaalsContact O-CG 3.24Å; I89-L93 WeakPolarHBondContact O-CG 3.11Å; I89-L93 PolarHBondContact O-N 3.22Å; I89-L93 VanDerWaalsContact O-N 3.11Å; I89-I255 HydrophobicContact CD1-CG2 3.83Å; I89-L256 HydrophobicContact CG2-CD1 4.49Å; I89-I259 HydrophobicContact CD1-CD1 4.3Å; I89-I259 HydrophobicContact CG2-CD1 3.77Å
90S84.6Confident84.6Confident23 Ų2356.6 Ų56.616%0.16129%0.291CS..Hα-helixtrans-67.2-39.1-177.469.20000113.8R86 S87 I88 I94 Y102R86-S90 PolarHBondContact O-N 3.07Å; R86-S90 PolarHBondContact O-OG 2.63Å; S87-S90 PolarHBondContact O-N 2.76Å; S87-S90 PolarHBondContact O-OG 3.41Å; I88-S90 VanDerWaalsContact C-N 3.29Å; I88-S90 PolarHBondContact O-N 2.89Å; S90-I94 WeakPolarHBondContact O-CD1 3.41Å; S90-I94 VanDerWaalsContact O-CG1 3.25Å; S90-I94 WeakPolarHBondContact O-CG1 3.46Å; S90-I94 PolarHBondContact O-N 3.11Å; S90-Y102 VanDerWaalsContact CB-CE1 3.42Å
91E85.7Confident84.8Confident132 Ų13258.3 Ų58.362%0.61730%0.299SS*.Hα-helixtrans-66.5-45.5-179.5-69.7179.4179.600111S87 I88 I94 M95S87-E91 PolarHBondContact O-N 2.92Å; I88-E91 PolarHBondContact O-N 3.03Å; E91-I94 PolarHBondContact O-N 3.12Å; E91-M95 WeakPolarHBondContact O-CG 3.28Å; E91-M95 PolarHBondContact O-N 3.26Å; E91-M95 VanDerWaalsContact O-N 3.16Å
92E87.3Confident85.2Confident70 Ų7060.1 Ų60.133%0.32731%0.306SS..Hα-helixtrans-67.8-40.1-179.8-68.6-64.7148.700112.6I88 I94 M95 H96 L256I88-E92 PolarHBondContact O-N 2.7Å; E92-I94 VanDerWaalsContact C-N 3.32Å; E92-I94 PolarHBondContact O-N 2.89Å; E92-M95 PolarHBondContact O-N 2.7Å; E92-H96 PolarHBondContact O-CD2 2.94Å; E92-H96 PolarHBondContact O-N 3.2Å; E92-L256 HydrophobicContact CB-CD1 3.79Å; E92-L256 HydrophobicContact CB-CD2 3.52Å; E92-L256 HydrophobicContact CB-CG 4.31Å; E92-L256 HydrophobicContact CG-CD2 3.63Å
93L88.9Confident85.6Confident1 Ų158.9 Ų58.91%0.00530%0.298CS..Hα-helixtrans-61.9-39.2176.6-74.9174.6000112.7I78 I89 M95 H96 Y97 Y102 I160 L256 I259 L260I78-L93 HydrophobicContact CD1-CD1 4Å; I89-L93 HydrophobicContact CG2-CD1 3.71Å; I89-L93 HydrophobicContact CG2-CG 4.18Å; I89-L93 WeakPolarHBondContact O-CB 3.09Å; I89-L93 VanDerWaalsContact O-CG 3.24Å; I89-L93 WeakPolarHBondContact O-CG 3.11Å; I89-L93 PolarHBondContact O-N 3.22Å; I89-L93 VanDerWaalsContact O-N 3.11Å; L93-M95 VanDerWaalsContact C-N 3.33Å; L93-H96 PolarHBondContact O-N 3.43Å; L93-Y97 HydrophobicContact CD2-CD2 4.44Å; L93-Y97 HydrophobicContact CD2-CE2 4.18Å; L93-Y97 PolarHBondContact O-N 3.13Å; L93-Y102 HydrophobicContact CD1-CD2 4.39Å; L93-Y102 HydrophobicContact CD1-CE2 4.2Å; L93-I160 HydrophobicContact CB-CD1 4.31Å; L93-I160 HydrophobicContact CD1-CD1 4.32Å; L93-I160 HydrophobicContact CD1-CG2 4.38Å; L93-I160 HydrophobicContact CD2-CD1 4.3Å; L93-L256 HydrophobicContact CD2-CD1 4.44Å; L93-L256 HydrophobicContact CG-CD1 4.42Å; L93-I259 HydrophobicContact CD1-CG2 4.32Å; L93-I259 HydrophobicContact CD2-CG2 3.8Å; L93-L260 HydrophobicContact CD2-CD2 3.95Å
94I87.6Confident86.2Confident85 Ų8559.9 Ų59.944%0.43630%0.302SS..Hα-helixtrans-67.1-38.3177.1-66.6165.5000110.4S90 E91 E92 Y97S90-I94 WeakPolarHBondContact O-CD1 3.41Å; S90-I94 VanDerWaalsContact O-CG1 3.25Å; S90-I94 WeakPolarHBondContact O-CG1 3.46Å; S90-I94 PolarHBondContact O-N 3.11Å; E91-I94 PolarHBondContact O-N 3.12Å; E92-I94 VanDerWaalsContact C-N 3.32Å; E92-I94 PolarHBondContact O-N 2.89Å; I94-Y97 CarbonylContact O-C 3.58Å
95M89.4Confident86.8Confident140 Ų14059.5 Ų59.569%0.6930%0.3SS*.Hα-helixtrans-66.3-41.2176.5-72.9-174.457.700112.4E91 E92 L93E91-M95 WeakPolarHBondContact O-CG 3.28Å; E91-M95 PolarHBondContact O-N 3.26Å; E91-M95 VanDerWaalsContact O-N 3.16Å; E92-M95 PolarHBondContact O-N 2.7Å; L93-M95 VanDerWaalsContact C-N 3.33Å
96H89.8Confident87.9Confident101 Ų10157.3 Ų57.347%0.46829%0.29SS..Hα-helixtrans-71.3-36.7178.4-90.3-92000113.1E92 L93 P98 L260E92-H96 PolarHBondContact O-CD2 2.94Å; E92-H96 PolarHBondContact O-N 3.2Å; L93-H96 PolarHBondContact O-N 3.43Å; H96-P98 VanDerWaalsContact C-CD 3.5Å; H96-P98 VanDerWaalsContact O-CD 3.31Å; H96-P98 WeakPolarHBondContact O-CD 3.34Å; H96-L260 HydrophobicContact CB-CD2 3.81Å
97Y92.1Very high88.7Confident20 Ų2057 Ų578%0.07829%0.293CS..  trans-120.572.2-178.7-53.5-66.4000111.9L93 I94 K99 F100 I160 L260 C263 D264 I267L93-Y97 HydrophobicContact CD2-CD2 4.44Å; L93-Y97 HydrophobicContact CD2-CE2 4.18Å; L93-Y97 PolarHBondContact O-N 3.13Å; I94-Y97 CarbonylContact O-C 3.58Å; Y97-K99 PolarHBondContact O-N 3.44Å; Y97-F100 WeakPolarHBondContact O-CB 3.43Å; Y97-F100 PolarHBondContact O-N 2.85Å; Y97-I160 HydrophobicContact CD2-CD1 4.12Å; Y97-L260 HydrophobicContact CE2-CD2 3.79Å; Y97-L260 PolarHBondContact OH-O 3.42Å; Y97-C263 HydrophobicContact CE2-CB 3.61Å; Y97-C263 WeakPolarHBondContact OH-CB 3.08Å; Y97-D264 PolarHBondContact OH-N 3.35Å; Y97-D264 PolarHBondContact OH-OD1 3.03Å; Y97-I267 HydrophobicContact CD1-CD1 3.68Å; Y97-I267 HydrophobicContact CD2-CD1 4.48Å; Y97-I267 HydrophobicContact CE1-CD1 3.52Å; Y97-I267 HydrophobicContact CE2-CD1 4.31Å; Y97-I267 HydrophobicContact CG-CD1 4.19Å
98P90Very high89.9Confident108 Ų10856.1 Ų56.170%0.70128%0.282SS*.THydrogen-bonded Turntrans-65.4-14-171.925.7-36.1000115H96H96-P98 VanDerWaalsContact C-CD 3.5Å; H96-P98 VanDerWaalsContact O-CD 3.31Å; H96-P98 WeakPolarHBondContact O-CD 3.34Å
99K91.7Very high90.8Very high137 Ų13752.8 Ų52.860%0.59627%0.266SS*.THydrogen-bonded Turntrans-97.2-1.9175.2-59.6-169-176.8176.80113.8Y97 D157Y97-K99 PolarHBondContact O-N 3.44Å; K99-D157 HydrophobicContact CB-CB 4.01Å; K99-D157 WeakPolarHBondContact CD-OD2 3.47Å; K99-D157 IonicContact NZ-OD2 3.38Å; K99-D157 PolarHBondContact NZ-OD2 3.5Å; K99-D157 PolarHBondContact O-N 3.25Å
100F94.9Very high91.1Very high22 Ų2254.3 Ų54.310%0.09627%0.272CS..EExtended strand (participates in β ladder)trans-95.3151.2174.4-81.6-121.9000109.7V74 Y97 D157 G158 I160 I267V74-F100 HydrophobicContact CB-CE1 3.92Å; V74-F100 HydrophobicContact CB-CZ 3.77Å; V74-F100 HydrophobicContact CG1-CE1 3.87Å; V74-F100 HydrophobicContact CG1-CZ 4Å; V74-F100 HydrophobicContact CG2-CZ 4.4Å; Y97-F100 WeakPolarHBondContact O-CB 3.43Å; Y97-F100 PolarHBondContact O-N 2.85Å; F100-D157 HydrophobicContact CE2-CB 4.45Å; F100-G158 CarbonylContact C-O 3.6Å; F100-G158 VanDerWaalsContact CA-O 3.26Å; F100-G158 WeakPolarHBondContact CA-O 3.44Å; F100-G158 VanDerWaalsContact CD1-C 3.44Å; F100-I160 HydrophobicContact CD1-CG1 4.06Å; F100-I267 HydrophobicContact CE1-CD1 3.86Å; F100-I267 HydrophobicContact CE1-CG1 4.15Å; F100-I267 HydrophobicContact CE2-CD1 4.12Å; F100-I267 HydrophobicContact CE2-CG1 4.48Å; F100-I267 HydrophobicContact CE2-CG2 4.32Å; F100-I267 HydrophobicContact CZ-CD1 3.61Å; F100-I267 HydrophobicContact CZ-CG1 3.7Å; F100-I267 HydrophobicContact CZ-CG2 4.18Å
101I95Very high91.5Very high43 Ų4356.9 Ų56.922%0.22129%0.286CS..EExtended strand (participates in β ladder)trans-106.9120.9172.9-58.6-62.8000108.9V103 H153 A156 G158 F159 I160I101-V103 HydrophobicContact CG2-CG2 4.01Å; I101-H153 HydrophobicContact CD1-CB 4.49Å; I101-H153 HydrophobicContact CG1-CB 3.82Å; I101-A156 HydrophobicContact CG1-CB 3.73Å; I101-G158 PolarHBondContact N-O 3.37Å; I101-F159 HydrophobicContact CB-CD1 3.71Å; I101-F159 HydrophobicContact CB-CE1 3.81Å; I101-F159 HydrophobicContact CG1-CD1 4.5Å; I101-F159 HydrophobicContact CG1-CE1 4.18Å; I101-F159 HydrophobicContact CG2-CD1 4.19Å; I101-F159 HydrophobicContact CG2-CE1 4.22Å; I101-F159 WeakPolarHBondContact O-CA 3.47Å; I101-I160 PolarHBondContact O-N 3.3Å
102Y94.6Very high91.8Very high39 Ų3952.1 Ų52.115%0.15326%0.263CS..EExtended strand (participates in β ladder)trans-79121.6170.4-174.8-97.3000109.9S90 L93 N104 I160 Y162S90-Y102 VanDerWaalsContact CB-CE1 3.42Å; L93-Y102 HydrophobicContact CD1-CD2 4.39Å; L93-Y102 HydrophobicContact CD1-CE2 4.2Å; Y102-N104 HydrophobicContact CE1-CB 3.9Å; Y102-I160 HydrophobicContact CD2-CB 4.08Å; Y102-I160 HydrophobicContact CD2-CG2 3.94Å; Y102-I160 HydrophobicContact CE2-CG2 4.14Å; Y102-Y162 VanDerWaalsContact OH-CB 3.31Å; Y102-Y162 WeakPolarHBondContact OH-CB 3.43Å
103V95Very high92Very high2 Ų248.8 Ų48.81%0.01225%0.247CC..EExtended strand (participates in β ladder)trans-115.499.8-178.8-178.70000109I101 L105 L146 K149 L150 F159 I160 I161 Y162I101-V103 HydrophobicContact CG2-CG2 4.01Å; V103-L105 PolarHBondContact O-N 3.24Å; V103-L146 HydrophobicContact CG1-CD1 4.28Å; V103-K149 HydrophobicContact CG1-CG 4.07Å; V103-K149 HydrophobicContact CG2-CG 4.19Å; V103-L150 HydrophobicContact CG2-CD2 4.34Å; V103-F159 HydrophobicContact CG2-CD1 3.99Å; V103-I160 PolarHBondContact N-O 3.4Å; V103-I161 HydrophobicContact CB-CG1 4.44Å; V103-I161 CarbonylContact O-C 3.42Å; V103-I161 WeakPolarHBondContact O-CA 3.39Å; V103-Y162 PolarHBondContact O-N 3.21Å
104N93.4Very high92.1Very high27 Ų2752.3 Ų52.314%0.14427%0.265CS..EExtended strand (participates in β ladder)trans-81.694.2168.8-175.4-31.3000109.3Y102 P106 D107 L108Y102-N104 HydrophobicContact CE1-CB 3.9Å; N104-P106 WeakPolarHBondContact OD1-CD 3.34Å; N104-D107 HydrophobicContact CB-CB 4.43Å; N104-D107 VanDerWaalsContact CG-OD2 3.26Å; N104-D107 PolarHBondContact ND2-OD2 2.66Å; N104-D107 PolarHBondContact O-N 2.67Å; N104-D107 PolarHBondContact OD1-N 2.88Å; N104-D107 PolarHBondContact OD1-OD2 2.9Å; N104-L108 WeakPolarHBondContact O-CB 3.3Å; N104-L108 PolarHBondContact O-N 3.01Å
105L94.6Very high92.2Very high3 Ų353.1 Ų53.12%0.01627%0.271CS..Hα-helixtrans-65.3-41.1-175.2-171.463.8000113V103 D107 L108 L109 V142 T145 L146 Y162 F164V103-L105 PolarHBondContact O-N 3.24Å; L105-D107 PolarHBondContact O-N 3.18Å; L105-L108 HydrophobicContact CD1-CD2 4.19Å; L105-L108 PolarHBondContact O-N 3.25Å; L105-L109 HydrophobicContact CD1-CG 4.29Å; L105-L109 HydrophobicContact CG-CD1 4.03Å; L105-L109 HydrophobicContact CG-CG 4.26Å; L105-L109 WeakPolarHBondContact O-CB 3.33Å; L105-L109 VanDerWaalsContact O-CG 3.26Å; L105-L109 WeakPolarHBondContact O-CG 3.48Å; L105-L109 PolarHBondContact O-N 3.38Å; L105-V142 HydrophobicContact CD2-CG1 3.79Å; L105-T145 HydrophobicContact CD1-CG2 4.43Å; L105-L146 HydrophobicContact CD1-CB 4.1Å; L105-L146 HydrophobicContact CD1-CD1 4.44Å; L105-Y162 PolarHBondContact N-O 3.21Å; L105-Y162 VanDerWaalsContact N-O 3.11Å; L105-F164 HydrophobicContact CD2-CB 3.59Å; L105-F164 HydrophobicContact CD2-CD2 3.36Å; L105-F164 HydrophobicContact CD2-CE2 4.25Å; L105-F164 HydrophobicContact CD2-CG 3.69Å
106P90.9Very high92.1Very high28 Ų2848.6 Ų48.618%0.18225%0.248CC..Hα-helixtrans-53.9-48.1173.4-2935.5000113.5N104 L109 K110 Y162N104-P106 WeakPolarHBondContact OD1-CD 3.34Å; P106-L109 PolarHBondContact O-N 3.31Å; P106-K110 VanDerWaalsContact O-CG 3.28Å; P106-K110 WeakPolarHBondContact O-CG 3.42Å; P106-K110 PolarHBondContact O-N 2.98Å; P106-Y162 VanDerWaalsContact CD-O 3.24Å; P106-Y162 WeakPolarHBondContact CD-O 3.28Å
107D90.1Very high91.8Very high52 Ų5247.4 Ų47.428%0.27824%0.242SC..Hα-helixtrans-73.1-31.3-178-66.2-20.5000112.2R86 N104 L105 K110 T111R86-D107 IonicContact CZ-OD1 2.56Å; R86-D107 IonicContact CZ-OD2 3.62Å; R86-D107 IonicContact NH1-OD1 3.65Å; R86-D107 PolarHBondContact NH1-OD1 3.07Å; R86-D107 IonicContact NH1-OD2 2.79Å; R86-D107 PolarHBondContact NH1-OD2 3.4Å; R86-D107 IonicContact NH2-OD1 3.45Å; R86-D107 IonicContact NH2-OD2 3.35Å; N104-D107 HydrophobicContact CB-CB 4.43Å; N104-D107 VanDerWaalsContact CG-OD2 3.26Å; N104-D107 PolarHBondContact ND2-OD2 2.66Å; N104-D107 PolarHBondContact O-N 2.67Å; N104-D107 PolarHBondContact OD1-N 2.88Å; N104-D107 PolarHBondContact OD1-OD2 2.9Å; L105-D107 PolarHBondContact O-N 3.18Å; D107-K110 PolarHBondContact O-N 3.24Å; D107-K110 IonicContact OD1-NZ 3.6Å; D107-T111 WeakPolarHBondContact O-CB 3.48Å; D107-T111 PolarHBondContact O-N 2.92Å; D107-T111 PolarHBondContact O-OG1 2.94Å
108L93.1Very high91.3Very high48 Ų4852.1 Ų52.125%0.25127%0.273SS..Hα-helixtrans-63.2-44.2171.3-176.564.9000111.8N104 L105 T111 R112 T145 K149N104-L108 WeakPolarHBondContact O-CB 3.3Å; N104-L108 PolarHBondContact O-N 3.01Å; L105-L108 HydrophobicContact CD1-CD2 4.19Å; L105-L108 PolarHBondContact O-N 3.25Å; L108-T111 PolarHBondContact O-N 3.21Å; L108-R112 WeakPolarHBondContact O-CB 3.43Å; L108-R112 PolarHBondContact O-N 3.44Å; L108-T145 HydrophobicContact CD2-CG2 3.54Å; L108-T145 HydrophobicContact CG-CG2 3.56Å; L108-K149 HydrophobicContact CD2-CB 3.62Å; L108-K149 HydrophobicContact CD2-CG 3.86Å
109L94.1Very high91Very high16 Ų1652 Ų528%0.08426%0.263CS..Hα-helixtrans-64.7-41.3176.2-70169.2000111.8L105 P106 R112 A113 W124 L137 V142 T145L105-L109 HydrophobicContact CD1-CG 4.29Å; L105-L109 HydrophobicContact CG-CD1 4.03Å; L105-L109 HydrophobicContact CG-CG 4.26Å; L105-L109 WeakPolarHBondContact O-CB 3.33Å; L105-L109 VanDerWaalsContact O-CG 3.26Å; L105-L109 WeakPolarHBondContact O-CG 3.48Å; L105-L109 PolarHBondContact O-N 3.38Å; P106-L109 PolarHBondContact O-N 3.31Å; L109-R112 PolarHBondContact O-N 3.45Å; L109-A113 VanDerWaalsContact O-CB 3.29Å; L109-A113 WeakPolarHBondContact O-CB 3.43Å; L109-A113 PolarHBondContact O-N 3.4Å; L109-W124 HydrophobicContact CD2-CH2 3.92Å; L109-W124 HydrophobicContact CD2-CZ3 4.35Å; L109-L137 HydrophobicContact CB-CD1 4.08Å; L109-L137 HydrophobicContact CD1-CD1 4.43Å; L109-L137 HydrophobicContact CD2-CD1 4.14Å; L109-L137 HydrophobicContact CG-CD1 4.44Å; L109-V142 HydrophobicContact CD1-CG1 4.33Å; L109-V142 HydrophobicContact CD1-CG2 4.05Å; L109-V142 HydrophobicContact CD2-CG2 4.22Å; L109-T145 HydrophobicContact CD2-CG2 3.9Å
110K90.4Very high89.9Confident44 Ų4454.7 Ų54.719%0.19128%0.278CS..Hα-helixtrans-60-50174.3-70.7176.5-177.1-175.90111.7P106 D107 R112 A113 I114 L131 C211P106-K110 VanDerWaalsContact O-CG 3.28Å; P106-K110 WeakPolarHBondContact O-CG 3.42Å; P106-K110 PolarHBondContact O-N 2.98Å; D107-K110 PolarHBondContact O-N 3.24Å; D107-K110 IonicContact OD1-NZ 3.6Å; K110-R112 VanDerWaalsContact C-N 3.3Å; K110-R112 PolarHBondContact O-N 3.02Å; K110-A113 PolarHBondContact O-N 3.36Å; K110-I114 WeakPolarHBondContact O-CG1 3.06Å; K110-I114 PolarHBondContact O-N 3.27Å; K110-L131 HydrophobicContact CG-CD1 4.2Å; K110-C211 HydrophobicContact CD-CB 3.89Å; K110-C211 HydrophobicContact CG-CB 3.99Å
111T91.9Very high88.8Confident76 Ų7663 Ų6347%0.46632%0.317SS..Hα-helixtrans-59.1-44.2179.1-57.30000110.9D107 L108 I114 N115D107-T111 WeakPolarHBondContact O-CB 3.48Å; D107-T111 PolarHBondContact O-N 2.92Å; D107-T111 PolarHBondContact O-OG1 2.94Å; L108-T111 PolarHBondContact O-N 3.21Å; T111-I114 PolarHBondContact O-N 2.81Å; T111-N115 VanDerWaalsContact O-CG 3.28Å; T111-N115 PolarHBondContact O-N 3.33Å; T111-N115 VanDerWaalsContact O-N 3.13Å; T111-N115 PolarHBondContact O-ND2 3.14Å
112R92.8Very high88.1Confident33 Ų3361.4 Ų61.413%0.12531%0.31CS..Hα-helixtrans-67.5-40.2178.6-165168.4-178.6-166.7-1.3112.3L108 L109 K110 I114 N115 E116 W124 E144 T145L108-R112 WeakPolarHBondContact O-CB 3.43Å; L108-R112 PolarHBondContact O-N 3.44Å; L109-R112 PolarHBondContact O-N 3.45Å; K110-R112 VanDerWaalsContact C-N 3.3Å; K110-R112 PolarHBondContact O-N 3.02Å; R112-I114 VanDerWaalsContact C-N 3.34Å; R112-I114 PolarHBondContact O-N 2.78Å; R112-N115 PolarHBondContact O-N 3.01Å; R112-E116 HydrophobicContact CG-CG 4.17Å; R112-E116 VanDerWaalsContact CG-OE1 3.29Å; R112-E116 WeakPolarHBondContact CG-OE1 3.41Å; R112-E116 IonicContact CZ-OE1 2.71Å; R112-E116 IonicContact NE-OE1 3.74Å; R112-E116 PolarHBondContact NE-OE1 3.28Å; R112-E116 IonicContact NE-OE2 2.63Å; R112-E116 IonicContact NH2-OE1 3.68Å; R112-E116 PolarHBondContact NH2-OE1 2.94Å; R112-E116 IonicContact NH2-OE2 3.78Å; R112-E116 WeakPolarHBondContact O-CB 3.3Å; R112-E116 PolarHBondContact O-N 2.9Å; R112-W124 HydrophobicContact CB-CH2 3.97Å; R112-W124 HydrophobicContact CB-CZ2 4.29Å; R112-W124 HydrophobicContact CB-CZ3 4.21Å; R112-W124 HydrophobicContact CG-CH2 3.82Å; R112-W124 HydrophobicContact CG-CZ2 3.62Å; R112-W124 HydrophobicContact CG-CZ3 4.35Å; R112-E144 IonicContact CZ-OE1 4Å; R112-E144 IonicContact NH1-OE1 2.63Å; R112-E144 PolarHBondContact NH1-OE1 3.18Å; R112-E144 IonicContact NH2-OE1 3.68Å; R112-E144 PolarHBondContact NH2-OE1 3.36Å; R112-T145 WeakPolarHBondContact CD-OG1 3.27Å; R112-T145 PolarHBondContact NH1-OG1 3.19Å
113A92Very high87.7Confident0 Ų065.3 Ų65.30%032%0.324CS..Hα-helixtrans-59.1-43.6174.700000112.1L109 K110 Q117 W124 A127 I128 L131L109-A113 VanDerWaalsContact O-CB 3.29Å; L109-A113 WeakPolarHBondContact O-CB 3.43Å; L109-A113 PolarHBondContact O-N 3.4Å; K110-A113 PolarHBondContact O-N 3.36Å; A113-Q117 VanDerWaalsContact O-CB 3.23Å; A113-Q117 WeakPolarHBondContact O-CB 3.18Å; A113-Q117 WeakPolarHBondContact O-CG 3.47Å; A113-Q117 PolarHBondContact O-N 3.5Å; A113-Q117 VanDerWaalsContact O-N 3.12Å; A113-W124 HydrophobicContact CB-CE3 3.86Å; A113-W124 HydrophobicContact CB-CZ3 4.21Å; A113-A127 HydrophobicContact CB-CB 3.78Å; A113-I128 HydrophobicContact CB-CG1 4.11Å; A113-L131 HydrophobicContact CB-CD1 4.05Å
114I90.2Very high87.5Confident74 Ų7465.4 Ų65.438%0.37933%0.325SS..Hα-helixtrans-62.8-43.3176.7-67.6164.6000111.6K110 T111 R112 Q117 I128 V210K110-I114 WeakPolarHBondContact O-CG1 3.06Å; K110-I114 PolarHBondContact O-N 3.27Å; T111-I114 PolarHBondContact O-N 2.81Å; R112-I114 VanDerWaalsContact C-N 3.34Å; R112-I114 PolarHBondContact O-N 2.78Å; I114-Q117 WeakPolarHBondContact O-CG 3.22Å; I114-I128 HydrophobicContact CG1-CD1 4.1Å; I114-V210 HydrophobicContact CD1-CB 4.32Å; I114-V210 HydrophobicContact CD1-CG1 3.81Å; I114-V210 HydrophobicContact CG1-CG1 3.74Å
115N89.3Confident87.2Confident103 Ų10370.7 Ų70.755%0.55135%0.348SS*.Hα-helixtrans-77.5-33.6-174.6-68.8-20.4000113.3T111 R112T111-N115 VanDerWaalsContact O-CG 3.28Å; T111-N115 PolarHBondContact O-N 3.33Å; T111-N115 VanDerWaalsContact O-N 3.13Å; T111-N115 PolarHBondContact O-ND2 3.14Å; R112-N115 PolarHBondContact O-N 3.01Å
116E89Confident86.9Confident45 Ų4572.5 Ų72.521%0.2136%0.358CS..Hα-helixtrans-99.5-14.8-172.6-65.9-171.1-156.400114R112 T118 Q119 S122 W124R112-E116 HydrophobicContact CG-CG 4.17Å; R112-E116 VanDerWaalsContact CG-OE1 3.29Å; R112-E116 WeakPolarHBondContact CG-OE1 3.41Å; R112-E116 IonicContact CZ-OE1 2.71Å; R112-E116 IonicContact NE-OE1 3.74Å; R112-E116 PolarHBondContact NE-OE1 3.28Å; R112-E116 IonicContact NE-OE2 2.63Å; R112-E116 IonicContact NH2-OE1 3.68Å; R112-E116 PolarHBondContact NH2-OE1 2.94Å; R112-E116 IonicContact NH2-OE2 3.78Å; R112-E116 WeakPolarHBondContact O-CB 3.3Å; R112-E116 PolarHBondContact O-N 2.9Å; E116-T118 PolarHBondContact O-N 3.38Å; E116-Q119 PolarHBondContact O-N 2.95Å; E116-S122 WeakPolarHBondContact O-CB 3.29Å; E116-S122 PolarHBondContact O-OG 3.45Å; E116-W124 HydrophobicContact CB-CB 4.11Å; E116-W124 HydrophobicContact CB-CD2 4.48Å; E116-W124 HydrophobicContact CB-CG 3.8Å; E116-W124 PolarHBondContact OE2-NE1 3.43Å
117Q82.7Confident87Confident76 Ų7671.2 Ų71.236%0.35535%0.349SS..THydrogen-bonded Turntrans-60.1-28.9-178.461.8170.9-14.900114.3A113 I114 Q119 I128A113-Q117 VanDerWaalsContact O-CB 3.23Å; A113-Q117 WeakPolarHBondContact O-CB 3.18Å; A113-Q117 WeakPolarHBondContact O-CG 3.47Å; A113-Q117 PolarHBondContact O-N 3.5Å; A113-Q117 VanDerWaalsContact O-N 3.12Å; I114-Q117 WeakPolarHBondContact O-CG 3.22Å; Q117-Q119 VanDerWaalsContact C-N 3.31Å; Q117-Q119 PolarHBondContact O-N 3.38Å; Q117-I128 HydrophobicContact CG-CD1 4.4Å; Q117-I128 VanDerWaalsContact NE2-CD1 3.34Å
118T82.3Confident87Confident118 Ų11869.8 Ų69.872%0.72434%0.342SS*.THydrogen-bonded Turntrans-84.2-6-174.657.10000113.2E116E116-T118 PolarHBondContact O-N 3.38Å
119Q82Confident86.8Confident105 Ų10573.5 Ų73.549%0.49136%0.358SS..SBendtrans-75.8140.8-179.7-59.3-1784.200111.1E116 Q117 Q121 S122E116-Q119 PolarHBondContact O-N 2.95Å; Q117-Q119 VanDerWaalsContact C-N 3.31Å; Q117-Q119 PolarHBondContact O-N 3.38Å; Q119-Q121 PolarHBondContact O-N 3.49Å; Q119-S122 WeakPolarHBondContact O-CB 3.39Å; Q119-S122 PolarHBondContact O-N 3.42Å
120Q70Confident86.7Confident195 Ų19574.8 Ų74.891%0.91136%0.363SS*.THydrogen-bonded Turntrans-61.6132.9174.7-76.7-175.6-11.100110.4S122Q120-S122 PolarHBondContact O-N 3.39Å
121Q71.1Confident86.7Confident195 Ų19574.1 Ų74.191%0.91136%0.361SS*.THydrogen-bonded Turntrans59.926.9-176.5-57-68.9-24.400113.8Q119 R123Q119-Q121 PolarHBondContact O-N 3.49Å; Q121-R123 PolarHBondContact O-N 2.9Å
122S79.7Confident86.5Confident11 Ų1172.8 Ų72.88%0.07735%0.351CS..  trans-63.6130.3178.5-174.40000111.9E116 Q119 Q120 W124 H125E116-S122 WeakPolarHBondContact O-CB 3.29Å; E116-S122 PolarHBondContact O-OG 3.45Å; Q119-S122 WeakPolarHBondContact O-CB 3.39Å; Q119-S122 PolarHBondContact O-N 3.42Å; Q120-S122 PolarHBondContact O-N 3.39Å; S122-W124 PolarHBondContact O-N 2.95Å; S122-W124 VanDerWaalsContact O-N 3.08Å; S122-W124 WeakPolarHBondContact OG-CB 3.4Å; S122-W124 PolarHBondContact OG-N 3.44Å; S122-W124 VanDerWaalsContact OG-N 3.07Å; S122-H125 PolarHBondContact O-CD2 2.8Å; S122-H125 VanDerWaalsContact O-CD2 3.25Å; S122-H125 PolarHBondContact O-N 2.99Å
123R86.7Confident86.4Confident120 Ų12073.2 Ų73.245%0.45336%0.356SS..THydrogen-bonded Turntrans-62.9-7.9167.5-71.3167.266.1-148.13.6112.7Q121 D140 I141 E144Q121-R123 PolarHBondContact O-N 2.9Å; R123-D140 IonicContact CZ-OD2 2.98Å; R123-D140 IonicContact NE-OD2 3.44Å; R123-D140 VanDerWaalsContact NH2-CG 3.3Å; R123-D140 IonicContact NH2-OD2 2.66Å; R123-D140 PolarHBondContact NH2-OD2 3.26Å; R123-I141 HydrophobicContact CB-CG2 4.43Å; R123-E144 IonicContact CZ-OE2 3.42Å; R123-E144 IonicContact NH1-OE2 2.97Å; R123-E144 PolarHBondContact NH1-OE2 2.93Å; R123-E144 IonicContact NH2-OE2 3.64Å
124W90.5Very high86.3Confident4 Ų473.5 Ų73.52%0.01536%0.359CS..THydrogen-bonded Turntrans-1026.9-179-59.686.7000114.2L109 R112 A113 E116 S122 D126 A127 L137 I141L109-W124 HydrophobicContact CD2-CH2 3.92Å; L109-W124 HydrophobicContact CD2-CZ3 4.35Å; R112-W124 HydrophobicContact CB-CH2 3.97Å; R112-W124 HydrophobicContact CB-CZ2 4.29Å; R112-W124 HydrophobicContact CB-CZ3 4.21Å; R112-W124 HydrophobicContact CG-CH2 3.82Å; R112-W124 HydrophobicContact CG-CZ2 3.62Å; R112-W124 HydrophobicContact CG-CZ3 4.35Å; A113-W124 HydrophobicContact CB-CE3 3.86Å; A113-W124 HydrophobicContact CB-CZ3 4.21Å; E116-W124 HydrophobicContact CB-CB 4.11Å; E116-W124 HydrophobicContact CB-CD2 4.48Å; E116-W124 HydrophobicContact CB-CG 3.8Å; E116-W124 PolarHBondContact OE2-NE1 3.43Å; S122-W124 PolarHBondContact O-N 2.95Å; S122-W124 VanDerWaalsContact O-N 3.08Å; S122-W124 WeakPolarHBondContact OG-CB 3.4Å; S122-W124 PolarHBondContact OG-N 3.44Å; S122-W124 VanDerWaalsContact OG-N 3.07Å; W124-D126 PolarHBondContact O-N 3.35Å; W124-D126 VanDerWaalsContact O-N 3.11Å; W124-A127 HydrophobicContact CB-CB 4.15Å; W124-A127 HydrophobicContact CE3-CB 3.7Å; W124-A127 VanDerWaalsContact O-CB 3.29Å; W124-A127 WeakPolarHBondContact O-CB 3.26Å; W124-A127 PolarHBondContact O-N 3Å; W124-L137 HydrophobicContact CZ3-CD1 3.83Å; W124-I141 HydrophobicContact CD2-CD1 4.2Å; W124-I141 HydrophobicContact CE3-CD1 3.98Å; W124-I141 HydrophobicContact CH2-CB 4.28Å; W124-I141 HydrophobicContact CH2-CD1 3.98Å; W124-I141 HydrophobicContact CH2-CG1 4.37Å; W124-I141 HydrophobicContact CZ2-CB 3.99Å; W124-I141 HydrophobicContact CZ2-CD1 4.19Å; W124-I141 HydrophobicContact CZ3-CD1 3.89Å
125H87.2Confident86.4Confident139 Ų13973.7 Ų73.764%0.64436%0.358SS*.THydrogen-bonded Turntrans-57.8-29.2-172.769.864.4000114.3S122S122-H125 PolarHBondContact O-CD2 2.8Å; S122-H125 VanDerWaalsContact O-CD2 3.25Å; S122-H125 PolarHBondContact O-N 2.99Å
126D89.5Confident86.6Confident40 Ų4071 Ų7121%0.21434%0.344CS..THydrogen-bonded Turntrans-109.64.8178.767.9-1.8000112.9W124 I128 Q129 K130W124-D126 PolarHBondContact O-N 3.35Å; W124-D126 VanDerWaalsContact O-N 3.11Å; D126-I128 PolarHBondContact O-N 2.91Å; D126-Q129 PolarHBondContact O-N 3.33Å; D126-K130 VanDerWaalsContact CG-NZ 3.28Å; D126-K130 PolarHBondContact O-N 3.18Å; D126-K130 IonicContact OD1-NZ 2.78Å; D126-K130 PolarHBondContact OD1-NZ 3.16Å; D126-K130 VanDerWaalsContact OD2-CE 3.25Å; D126-K130 WeakPolarHBondContact OD2-CE 3.44Å; D126-K130 IonicContact OD2-NZ 3.38Å; D126-K130 PolarHBondContact OD2-NZ 3.47Å
127A91.9Very high86.8Confident1 Ų169.4 Ų69.41%0.00834%0.337CS..Hα-helixtrans-64.1-43.1-171.800000112.1A113 W124 Q129 K130 L131 L137A113-A127 HydrophobicContact CB-CB 3.78Å; W124-A127 HydrophobicContact CB-CB 4.15Å; W124-A127 HydrophobicContact CE3-CB 3.7Å; W124-A127 VanDerWaalsContact O-CB 3.29Å; W124-A127 WeakPolarHBondContact O-CB 3.26Å; W124-A127 PolarHBondContact O-N 3Å; A127-Q129 VanDerWaalsContact C-N 3.35Å; A127-Q129 PolarHBondContact O-N 2.86Å; A127-K130 PolarHBondContact O-N 3.42Å; A127-L131 WeakPolarHBondContact O-CB 3.48Å; A127-L131 WeakPolarHBondContact O-CG 3.42Å; A127-L131 PolarHBondContact O-N 3.35Å; A127-L137 HydrophobicContact CB-CD2 3.74Å
128I90.1Very high87.4Confident22 Ų2268 Ų6811%0.11333%0.334CS..Hα-helixtrans-63.3-42.8176.8-63.6-167.6000111.1A113 I114 Q117 D126 K130 L131 N132 V210A113-I128 HydrophobicContact CB-CG1 4.11Å; I114-I128 HydrophobicContact CG1-CD1 4.1Å; Q117-I128 HydrophobicContact CG-CD1 4.4Å; Q117-I128 VanDerWaalsContact NE2-CD1 3.34Å; D126-I128 PolarHBondContact O-N 2.91Å; I128-K130 PolarHBondContact O-N 3.24Å; I128-L131 PolarHBondContact O-N 2.97Å; I128-N132 WeakPolarHBondContact O-CB 3.49Å; I128-N132 PolarHBondContact O-N 3.01Å; I128-V210 HydrophobicContact CD1-CG1 3.89Å; I128-V210 HydrophobicContact CG1-CG1 4.32Å; I128-V210 HydrophobicContact CG2-CG1 3.97Å
129Q89.7Confident88Confident127 Ų12764.4 Ų64.459%0.59331%0.31SS*.Hα-helixtrans-61-47.1178.1-174.9-179.91.400110.8D126 A127 L131 N132 N133D126-Q129 PolarHBondContact O-N 3.33Å; A127-Q129 VanDerWaalsContact C-N 3.35Å; A127-Q129 PolarHBondContact O-N 2.86Å; Q129-L131 PolarHBondContact O-N 3.11Å; Q129-N132 PolarHBondContact O-N 3.12Å; Q129-N133 WeakPolarHBondContact O-CB 3.36Å; Q129-N133 PolarHBondContact O-N 2.88Å
130K92Very high88.6Confident43 Ų4363.4 Ų63.419%0.18731%0.308CS..Hα-helixtrans-58-45.2175-77.5175.5170.7150.80112.3D126 A127 I128 N133 G134 E135 L137D126-K130 VanDerWaalsContact CG-NZ 3.28Å; D126-K130 PolarHBondContact O-N 3.18Å; D126-K130 IonicContact OD1-NZ 2.78Å; D126-K130 PolarHBondContact OD1-NZ 3.16Å; D126-K130 VanDerWaalsContact OD2-CE 3.25Å; D126-K130 WeakPolarHBondContact OD2-CE 3.44Å; D126-K130 IonicContact OD2-NZ 3.38Å; D126-K130 PolarHBondContact OD2-NZ 3.47Å; A127-K130 PolarHBondContact O-N 3.42Å; I128-K130 PolarHBondContact O-N 3.24Å; K130-N133 CarbonylContact O-C 3.49Å; K130-N133 WeakPolarHBondContact O-CB 3.31Å; K130-N133 PolarHBondContact O-N 2.93Å; K130-G134 PolarHBondContact O-N 3.28Å; K130-E135 HydrophobicContact CB-CB 4.08Å; K130-E135 HydrophobicContact CG-CB 4.33Å; K130-E135 WeakPolarHBondContact O-CA 3.01Å; K130-E135 WeakPolarHBondContact O-CB 3.39Å; K130-E135 PolarHBondContact O-N 3Å; K130-L137 HydrophobicContact CB-CD2 4.07Å; K130-L137 HydrophobicContact CD-CD2 4.26Å
131L90.3Very high89.7Confident30 Ų3054.2 Ų54.216%0.15727%0.266CS..Hα-helixtrans-65.6-42.4179.5-68.8170.1000112.5K110 A113 A127 I128 Q129 N133 G134 L137 C211K110-L131 HydrophobicContact CG-CD1 4.2Å; A113-L131 HydrophobicContact CB-CD1 4.05Å; A127-L131 WeakPolarHBondContact O-CB 3.48Å; A127-L131 WeakPolarHBondContact O-CG 3.42Å; A127-L131 PolarHBondContact O-N 3.35Å; I128-L131 PolarHBondContact O-N 2.97Å; Q129-L131 PolarHBondContact O-N 3.11Å; L131-N133 VanDerWaalsContact C-N 3.26Å; L131-N133 PolarHBondContact O-N 3.44Å; L131-G134 PolarHBondContact O-N 2.95Å; L131-G134 VanDerWaalsContact O-N 3.11Å; L131-L137 HydrophobicContact CD1-CD1 4.33Å; L131-L137 HydrophobicContact CD2-CD1 4.2Å; L131-L137 HydrophobicContact CD2-CG 4.1Å; L131-L137 HydrophobicContact CG-CD1 4.39Å; L131-L137 HydrophobicContact CG-CD2 4.28Å; L131-L137 HydrophobicContact CG-CG 4.34Å; L131-C211 HydrophobicContact CB-CB 4.13Å; L131-C211 WeakPolarHBondContact CB-SG 3.31Å; L131-C211 WeakPolarHBondContact CD1-SG 3.39Å
132N88Confident90.9Very high47 Ų4745.2 Ų45.225%0.25122%0.224SC..Hα-helixtrans-60.3-39173.1-76.4-12.4000111.9I128 Q129 G134 C211 N212 S218I128-N132 WeakPolarHBondContact O-CB 3.49Å; I128-N132 PolarHBondContact O-N 3.01Å; Q129-N132 PolarHBondContact O-N 3.12Å; N132-G134 PolarHBondContact O-N 3.43Å; N132-C211 WeakPolarHBondContact OD1-CA 3.49Å; N132-C211 PolarHBondContact OD1-N 2.93Å; N132-N212 PolarHBondContact OD1-N 3.42Å; N132-S218 WeakPolarHBondContact O-CB 3.33Å; N132-S218 PolarHBondContact O-OG 3.33Å
133N90.5Very high91.7Very high42 Ų4245.6 Ų45.623%0.22523%0.225CC..THydrogen-bonded Turntrans-71.7-4.2177.1-83.84.8000113.9Q129 K130 L131 E135 R221Q129-N133 WeakPolarHBondContact O-CB 3.36Å; Q129-N133 PolarHBondContact O-N 2.88Å; K130-N133 CarbonylContact O-C 3.49Å; K130-N133 WeakPolarHBondContact O-CB 3.31Å; K130-N133 PolarHBondContact O-N 2.93Å; L131-N133 VanDerWaalsContact C-N 3.26Å; L131-N133 PolarHBondContact O-N 3.44Å; N133-E135 HydrophobicContact CB-CG 3.92Å; N133-E135 VanDerWaalsContact CB-OE1 3.3Å; N133-E135 WeakPolarHBondContact CB-OE1 3.44Å; N133-E135 PolarHBondContact ND2-OE1 3.2Å; N133-E135 PolarHBondContact O-N 3.28Å; N133-R221 VanDerWaalsContact CA-NH1 3.32Å; N133-R221 VanDerWaalsContact O-CD 3.3Å; N133-R221 WeakPolarHBondContact O-CD 3.45Å; N133-R221 PolarHBondContact O-NE 3.24Å; N133-R221 VanDerWaalsContact O-NE 3.1Å; N133-R221 PolarHBondContact O-NH1 3.5Å
134G89Confident92Very high7 Ų740.8 Ų40.87%0.07221%0.207CC..THydrogen-bonded Turntrans65.922.8-172.800000113.4K130 L131 N132 C222 I225K130-G134 PolarHBondContact O-N 3.28Å; L131-G134 PolarHBondContact O-N 2.95Å; L131-G134 VanDerWaalsContact O-N 3.11Å; N132-G134 PolarHBondContact O-N 3.43Å; G134-C222 WeakPolarHBondContact CA-SG 3.29Å; G134-I225 WeakPolarHBondContact O-CD1 3.4Å
135E92.4Very high92.3Very high77 Ų7740.8 Ų40.836%0.3621%0.208SC..PPolyproline II helixtrans-89.8153177.1-66.9169.9-140.800111.6K130 N133 R221K130-E135 HydrophobicContact CB-CB 4.08Å; K130-E135 HydrophobicContact CG-CB 4.33Å; K130-E135 WeakPolarHBondContact O-CA 3.01Å; K130-E135 WeakPolarHBondContact O-CB 3.39Å; K130-E135 PolarHBondContact O-N 3Å; N133-E135 HydrophobicContact CB-CG 3.92Å; N133-E135 VanDerWaalsContact CB-OE1 3.3Å; N133-E135 WeakPolarHBondContact CB-OE1 3.44Å; N133-E135 PolarHBondContact ND2-OE1 3.2Å; N133-E135 PolarHBondContact O-N 3.28Å; E135-R221 IonicContact OE1-NH1 3.87Å
136L93.5Very high92.8Very high47 Ų4734.2 Ų34.225%0.24618%0.177CC..PPolyproline II helixtrans-74.7140.6172.2-67.2178.1000111.2K166 T167 I225L136-K166 HydrophobicContact CD2-CB 4.19Å; L136-K166 HydrophobicContact CD2-CD 3.65Å; L136-T167 HydrophobicContact CD1-CG2 3.38Å; L136-I225 HydrophobicContact CD1-CG2 3.87Å; L136-I225 HydrophobicContact CD2-CG2 4.01Å; L136-I225 HydrophobicContact CG-CD1 4.04Å; L136-I225 HydrophobicContact CG-CG1 4.44Å; L136-I225 HydrophobicContact CG-CG2 3.94Å
137L94.6Very high93.1Very high12 Ų1232.3 Ų32.36%0.06317%0.167CC..PPolyproline II helixtrans-71.5153.6167.5-70-175.7000111.3L109 W124 A127 K130 L131 N139 I141 V142L109-L137 HydrophobicContact CB-CD1 4.08Å; L109-L137 HydrophobicContact CD1-CD1 4.43Å; L109-L137 HydrophobicContact CD2-CD1 4.14Å; L109-L137 HydrophobicContact CG-CD1 4.44Å; W124-L137 HydrophobicContact CZ3-CD1 3.83Å; A127-L137 HydrophobicContact CB-CD2 3.74Å; K130-L137 HydrophobicContact CB-CD2 4.07Å; K130-L137 HydrophobicContact CD-CD2 4.26Å; L131-L137 HydrophobicContact CD1-CD1 4.33Å; L131-L137 HydrophobicContact CD2-CD1 4.2Å; L131-L137 HydrophobicContact CD2-CG 4.1Å; L131-L137 HydrophobicContact CG-CD1 4.39Å; L131-L137 HydrophobicContact CG-CD2 4.28Å; L131-L137 HydrophobicContact CG-CG 4.34Å; L137-N139 PolarHBondContact O-N 3.06Å; L137-I141 HydrophobicContact CB-CD1 3.98Å; L137-I141 HydrophobicContact CB-CG1 4.17Å; L137-I141 HydrophobicContact CD1-CD1 4.13Å; L137-I141 HydrophobicContact CD2-CD1 4.37Å; L137-I141 HydrophobicContact CG-CD1 4.39Å; L137-V142 HydrophobicContact CB-CG2 3.91Å
138P94.3Very high93.3Very high46 Ų4635.4 Ų35.430%0.29918%0.184SC..PPolyproline II helixtrans-50.3135173.6-2734000112.5D140 I141 V142P138-D140 VanDerWaalsContact C-N 3.27Å; P138-D140 WeakPolarHBondContact CB-OD1 3.43Å; P138-D140 PolarHBondContact O-N 3.02Å; P138-I141 HydrophobicContact CB-CG1 4.12Å; P138-I141 HydrophobicContact CG-CD1 4.36Å; P138-I141 HydrophobicContact CG-CG1 4.45Å; P138-I141 WeakPolarHBondContact O-CG1 3.47Å; P138-I141 PolarHBondContact O-N 3.38Å; P138-V142 WeakPolarHBondContact O-CG2 3.31Å; P138-V142 PolarHBondContact O-N 3.39Å
139N95.1Very high93.5Very high43 Ų4336.8 Ų36.823%0.2319%0.189CC..Hα-helixtrans-59.8-37.2-171.7179.170.9000113.3L137 V142 L143 I169 Q170 D173L137-N139 PolarHBondContact O-N 3.06Å; N139-V142 PolarHBondContact O-N 3.1Å; N139-L143 WeakPolarHBondContact O-CB 3.43Å; N139-L143 PolarHBondContact O-N 2.93Å; N139-I169 HydrophobicContact CB-CG2 4.47Å; N139-I169 WeakPolarHBondContact ND2-CG2 3.4Å; N139-Q170 WeakPolarHBondContact OD1-CG 3.32Å; N139-D173 PolarHBondContact ND2-OD2 2.8Å
140D93.6Very high93.8Very high83 Ų8330.8 Ų30.844%0.44416%0.161SC..Hα-helixtrans-61.8-41.3177.557.4-34.1000112.9R123 P138 E144R123-D140 IonicContact CZ-OD2 2.98Å; R123-D140 IonicContact NE-OD2 3.44Å; R123-D140 VanDerWaalsContact NH2-CG 3.3Å; R123-D140 IonicContact NH2-OD2 2.66Å; R123-D140 PolarHBondContact NH2-OD2 3.26Å; P138-D140 VanDerWaalsContact C-N 3.27Å; P138-D140 WeakPolarHBondContact CB-OD1 3.43Å; P138-D140 PolarHBondContact O-N 3.02Å; D140-E144 VanDerWaalsContact O-CB 3.25Å; D140-E144 WeakPolarHBondContact O-CB 3.26Å; D140-E144 PolarHBondContact O-N 3.27Å
141I93.7Very high94Very high3 Ų330.8 Ų30.82%0.01516%0.163CC..Hα-helixtrans-73-30.217667.4169.9000112.2R123 W124 L137 P138 T145R123-I141 HydrophobicContact CB-CG2 4.43Å; W124-I141 HydrophobicContact CD2-CD1 4.2Å; W124-I141 HydrophobicContact CE3-CD1 3.98Å; W124-I141 HydrophobicContact CH2-CB 4.28Å; W124-I141 HydrophobicContact CH2-CD1 3.98Å; W124-I141 HydrophobicContact CH2-CG1 4.37Å; W124-I141 HydrophobicContact CZ2-CB 3.99Å; W124-I141 HydrophobicContact CZ2-CD1 4.19Å; W124-I141 HydrophobicContact CZ3-CD1 3.89Å; L137-I141 HydrophobicContact CB-CD1 3.98Å; L137-I141 HydrophobicContact CB-CG1 4.17Å; L137-I141 HydrophobicContact CD1-CD1 4.13Å; L137-I141 HydrophobicContact CD2-CD1 4.37Å; L137-I141 HydrophobicContact CG-CD1 4.39Å; P138-I141 HydrophobicContact CB-CG1 4.12Å; P138-I141 HydrophobicContact CG-CD1 4.36Å; P138-I141 HydrophobicContact CG-CG1 4.45Å; P138-I141 WeakPolarHBondContact O-CG1 3.47Å; P138-I141 PolarHBondContact O-N 3.38Å; I141-T145 VanDerWaalsContact O-CB 3.28Å; I141-T145 WeakPolarHBondContact O-CB 3.49Å; I141-T145 PolarHBondContact O-N 3.23Å; I141-T145 PolarHBondContact O-OG1 2.69Å
142V96.5Very high94.3Very high5 Ų535.4 Ų35.43%0.0318%0.184CC..Hα-helixtrans-66.6-50.9174.9176.20000110.5L105 L109 L137 P138 N139 T145 L146 F164L105-V142 HydrophobicContact CD2-CG1 3.79Å; L109-V142 HydrophobicContact CD1-CG1 4.33Å; L109-V142 HydrophobicContact CD1-CG2 4.05Å; L109-V142 HydrophobicContact CD2-CG2 4.22Å; L137-V142 HydrophobicContact CB-CG2 3.91Å; P138-V142 WeakPolarHBondContact O-CG2 3.31Å; P138-V142 PolarHBondContact O-N 3.39Å; N139-V142 PolarHBondContact O-N 3.1Å; V142-T145 PolarHBondContact O-N 3.27Å; V142-L146 PolarHBondContact O-N 3.23Å; V142-F164 HydrophobicContact CG1-CD2 4.08Å; V142-F164 HydrophobicContact CG1-CE2 3.97Å
143L95.8Very high94.5Very high19 Ų1935.4 Ų35.410%0.09918%0.182CC..Hα-helixtrans-60.8-47.1178178.663.7000111.6N139 T145 L146 L147 D173 Y177N139-L143 WeakPolarHBondContact O-CB 3.43Å; N139-L143 PolarHBondContact O-N 2.93Å; L143-T145 VanDerWaalsContact C-N 3.3Å; L143-T145 PolarHBondContact O-N 3.08Å; L143-L146 PolarHBondContact O-N 3.16Å; L143-L147 HydrophobicContact CD1-CD1 3.78Å; L143-L147 HydrophobicContact CD1-CD2 4.49Å; L143-L147 HydrophobicContact CD1-CG 3.95Å; L143-L147 HydrophobicContact CD2-CD1 4.41Å; L143-L147 HydrophobicContact CG-CD1 3.8Å; L143-L147 HydrophobicContact CG-CG 4.32Å; L143-L147 WeakPolarHBondContact O-CG 3.32Å; L143-L147 PolarHBondContact O-N 3.26Å; L143-D173 HydrophobicContact CD1-CB 4.09Å; L143-D173 HydrophobicContact CD2-CB 4.17Å; L143-Y177 HydrophobicContact CD1-CD2 4.2Å; L143-Y177 HydrophobicContact CD1-CG 4.42Å; L143-Y177 HydrophobicContact CD2-CD2 3.67Å; L143-Y177 HydrophobicContact CD2-CE2 3.54Å; L143-Y177 HydrophobicContact CD2-CG 4.27Å
144E94.6Very high94.5Very high19 Ų1936.3 Ų36.39%0.08919%0.192CC..Hα-helixtrans-57.3-45.2177.7-173.6-165.2135.500111.3P65 R112 R123 D140 L147 L148P65-E144 HydrophobicContact CG-CG 4.39Å; R112-E144 IonicContact CZ-OE1 4Å; R112-E144 IonicContact NH1-OE1 2.63Å; R112-E144 PolarHBondContact NH1-OE1 3.18Å; R112-E144 IonicContact NH2-OE1 3.68Å; R112-E144 PolarHBondContact NH2-OE1 3.36Å; R123-E144 IonicContact CZ-OE2 3.42Å; R123-E144 IonicContact NH1-OE2 2.97Å; R123-E144 PolarHBondContact NH1-OE2 2.93Å; R123-E144 IonicContact NH2-OE2 3.64Å; D140-E144 VanDerWaalsContact O-CB 3.25Å; D140-E144 WeakPolarHBondContact O-CB 3.26Å; D140-E144 PolarHBondContact O-N 3.27Å; E144-L147 PolarHBondContact O-N 2.72Å; E144-L148 HydrophobicContact CG-CD1 4.14Å; E144-L148 WeakPolarHBondContact O-CB 3.47Å; E144-L148 VanDerWaalsContact O-CG 3.27Å; E144-L148 WeakPolarHBondContact O-CG 3.44Å; E144-L148 PolarHBondContact O-N 2.84Å
145T96.2Very high94.7Very high4 Ų441.5 Ų41.53%0.02522%0.217CC..Hα-helixtrans-63.5-42.3179.1-59.40000112L105 L108 L109 R112 I141 V142 L143 K149L105-T145 HydrophobicContact CD1-CG2 4.43Å; L108-T145 HydrophobicContact CD2-CG2 3.54Å; L108-T145 HydrophobicContact CG-CG2 3.56Å; L109-T145 HydrophobicContact CD2-CG2 3.9Å; R112-T145 WeakPolarHBondContact CD-OG1 3.27Å; R112-T145 PolarHBondContact NH1-OG1 3.19Å; I141-T145 VanDerWaalsContact O-CB 3.28Å; I141-T145 WeakPolarHBondContact O-CB 3.49Å; I141-T145 PolarHBondContact O-N 3.23Å; I141-T145 PolarHBondContact O-OG1 2.69Å; V142-T145 PolarHBondContact O-N 3.27Å; L143-T145 VanDerWaalsContact C-N 3.3Å; L143-T145 PolarHBondContact O-N 3.08Å; T145-K149 PolarHBondContact O-N 2.9Å
146L96.9Very high94.8Very high1 Ų138.2 Ų38.21%0.00520%0.203CC..Hα-helixtrans-61.9-54.3175.517760.8000111V103 L105 V142 L143 L148 K149 L150 I161 F164V103-L146 HydrophobicContact CG1-CD1 4.28Å; L105-L146 HydrophobicContact CD1-CB 4.1Å; L105-L146 HydrophobicContact CD1-CD1 4.44Å; V142-L146 PolarHBondContact O-N 3.23Å; L143-L146 PolarHBondContact O-N 3.16Å; L146-L148 VanDerWaalsContact C-N 3.33Å; L146-L148 PolarHBondContact O-N 2.84Å; L146-K149 WeakPolarHBondContact O-CB 3.5Å; L146-K149 PolarHBondContact O-N 2.82Å; L146-L150 HydrophobicContact CD1-CD1 4.18Å; L146-L150 HydrophobicContact CD1-CD2 4.22Å; L146-L150 HydrophobicContact CD1-CG 4.07Å; L146-L150 HydrophobicContact CG-CD1 4.11Å; L146-L150 HydrophobicContact CG-CG 4.34Å; L146-L150 WeakPolarHBondContact O-CG 3.33Å; L146-L150 PolarHBondContact O-N 3.21Å; L146-I161 HydrophobicContact CD1-CD1 4Å; L146-I161 HydrophobicContact CD1-CG1 4.39Å; L146-I161 HydrophobicContact CD1-CG2 4.03Å; L146-I161 HydrophobicContact CD2-CD1 4.47Å; L146-F164 HydrophobicContact CD2-CD1 4.09Å; L146-F164 HydrophobicContact CD2-CE1 3.83Å; L146-F164 HydrophobicContact CD2-CE2 4.44Å; L146-F164 HydrophobicContact CD2-CZ 4.02Å
147L96.5Very high94.8Very high1 Ų138.2 Ų38.21%0.00520%0.204CC..Hα-helixtrans-62.1-38.9-176-66.4175.4000112.5P65 L67 L143 E144 K149 L150 N151 Y177P65-L147 HydrophobicContact CB-CB 4.19Å; P65-L147 HydrophobicContact CB-CD1 4.42Å; P65-L147 HydrophobicContact CG-CB 4.26Å; P65-L147 HydrophobicContact CG-CD1 4.03Å; P65-L147 WeakPolarHBondContact O-CD1 3.31Å; L67-L147 HydrophobicContact CB-CD2 4.3Å; L67-L147 HydrophobicContact CD1-CD2 3.94Å; L143-L147 HydrophobicContact CD1-CD1 3.78Å; L143-L147 HydrophobicContact CD1-CD2 4.49Å; L143-L147 HydrophobicContact CD1-CG 3.95Å; L143-L147 HydrophobicContact CD2-CD1 4.41Å; L143-L147 HydrophobicContact CG-CD1 3.8Å; L143-L147 HydrophobicContact CG-CG 4.32Å; L143-L147 WeakPolarHBondContact O-CG 3.32Å; L143-L147 PolarHBondContact O-N 3.26Å; E144-L147 PolarHBondContact O-N 2.72Å; L147-K149 VanDerWaalsContact C-N 3.31Å; L147-K149 PolarHBondContact O-N 3.24Å; L147-L150 PolarHBondContact O-N 3.1Å; L147-N151 VanDerWaalsContact O-CB 3.3Å; L147-N151 WeakPolarHBondContact O-CB 3.11Å; L147-N151 PolarHBondContact O-N 3.42Å; L147-Y177 HydrophobicContact CD1-CD1 4.24Å; L147-Y177 HydrophobicContact CD1-CG 4.38Å
148L95.1Very high94.8Very high66 Ų6637.6 Ų37.635%0.34620%0.201SC..Hα-helixtrans-59.7-41.9172.8-75.5172.8000111.8E144 L146 Q152E144-L148 HydrophobicContact CG-CD1 4.14Å; E144-L148 WeakPolarHBondContact O-CB 3.47Å; E144-L148 VanDerWaalsContact O-CG 3.27Å; E144-L148 WeakPolarHBondContact O-CG 3.44Å; E144-L148 PolarHBondContact O-N 2.84Å; L146-L148 VanDerWaalsContact C-N 3.33Å; L146-L148 PolarHBondContact O-N 2.84Å; L148-Q152 WeakPolarHBondContact O-CG 3.27Å; L148-Q152 PolarHBondContact O-N 3.32Å
149K96Very high94.9Very high51 Ų5135.5 Ų35.522%0.22219%0.187CC..Hα-helixtrans-69.4-40.6178.6-174.856.2171.2161.90112.5V103 L108 T145 L146 L147 Q152 H153V103-K149 HydrophobicContact CG1-CG 4.07Å; V103-K149 HydrophobicContact CG2-CG 4.19Å; L108-K149 HydrophobicContact CD2-CB 3.62Å; L108-K149 HydrophobicContact CD2-CG 3.86Å; T145-K149 PolarHBondContact O-N 2.9Å; L146-K149 WeakPolarHBondContact O-CB 3.5Å; L146-K149 PolarHBondContact O-N 2.82Å; L147-K149 VanDerWaalsContact C-N 3.31Å; L147-K149 PolarHBondContact O-N 3.24Å; K149-Q152 WeakPolarHBondContact O-CB 2.9Å; K149-Q152 PolarHBondContact O-N 3.37Å; K149-H153 PolarHBondContact NZ-NE2 3.11Å; K149-H153 PolarHBondContact O-CD2 3.4Å
150L96.3Very high95Very high1 Ų133.6 Ų33.61%0.00518%0.176CC..Hα-helixtrans-63-44.3175.7-60.4-177.4000111L67 V69 V103 L146 L147 Q152 H153 F159 I161 V178L67-L150 HydrophobicContact CD1-CB 3.74Å; L67-L150 HydrophobicContact CD1-CD1 3.78Å; L67-L150 HydrophobicContact CD1-CG 4.42Å; V69-L150 HydrophobicContact CG1-CB 4.34Å; V103-L150 HydrophobicContact CG2-CD2 4.34Å; L146-L150 HydrophobicContact CD1-CD1 4.18Å; L146-L150 HydrophobicContact CD1-CD2 4.22Å; L146-L150 HydrophobicContact CD1-CG 4.07Å; L146-L150 HydrophobicContact CG-CD1 4.11Å; L146-L150 HydrophobicContact CG-CG 4.34Å; L146-L150 WeakPolarHBondContact O-CG 3.33Å; L146-L150 PolarHBondContact O-N 3.21Å; L147-L150 PolarHBondContact O-N 3.1Å; L150-Q152 VanDerWaalsContact C-N 3.25Å; L150-Q152 PolarHBondContact O-N 3.45Å; L150-H153 CarbonylContact O-C 3.42Å; L150-H153 PolarHBondContact O-N 3.31Å; L150-F159 HydrophobicContact CB-CE1 4.43Å; L150-F159 HydrophobicContact CB-CZ 4.22Å; L150-F159 HydrophobicContact CD2-CB 4.05Å; L150-F159 HydrophobicContact CD2-CD1 3.3Å; L150-F159 HydrophobicContact CD2-CD2 3.89Å; L150-F159 HydrophobicContact CD2-CE1 3.57Å; L150-F159 HydrophobicContact CD2-CE2 4.13Å; L150-F159 HydrophobicContact CD2-CG 3.47Å; L150-F159 VanDerWaalsContact CD2-CG 3.47Å; L150-F159 HydrophobicContact CD2-CZ 3.98Å; L150-F159 WeakPolarHBondContact O-CZ 3.5Å; L150-I161 HydrophobicContact CD2-CD1 4.45Å; L150-V178 HydrophobicContact CD1-CG2 4.26Å
151N95.6Very high95.1Very high43 Ų4329.6 Ų29.623%0.2316%0.155CC..Hα-helixtrans-65.9-23.3179.5-72.7-8.1000113.8R66 C68 L147 H153R66-N151 PolarHBondContact O-ND2 3.41Å; C68-N151 PolarHBondContact N-OD1 3.25Å; L147-N151 VanDerWaalsContact O-CB 3.3Å; L147-N151 WeakPolarHBondContact O-CB 3.11Å; L147-N151 PolarHBondContact O-N 3.42Å; N151-H153 PolarHBondContact O-N 3.41Å
152Q95.2Very high95.1Very high127 Ų12730.4 Ų30.459%0.59316%0.158SC*.THydrogen-bonded Turntrans-66.7-18.9172.3-76.1169.64.800113L148 K149 L150L148-Q152 WeakPolarHBondContact O-CG 3.27Å; L148-Q152 PolarHBondContact O-N 3.32Å; K149-Q152 WeakPolarHBondContact O-CB 2.9Å; K149-Q152 PolarHBondContact O-N 3.37Å; L150-Q152 VanDerWaalsContact C-N 3.25Å; L150-Q152 PolarHBondContact O-N 3.45Å
153H93.8Very high94.9Very high47 Ų4730.4 Ų30.422%0.21816%0.16CC..THydrogen-bonded Turntrans-12748.2-176.3-60.4-78.3000110.5I101 K149 L150 N151 D155 A156 F159I101-H153 HydrophobicContact CD1-CB 4.49Å; I101-H153 HydrophobicContact CG1-CB 3.82Å; K149-H153 PolarHBondContact NZ-NE2 3.11Å; K149-H153 PolarHBondContact O-CD2 3.4Å; L150-H153 CarbonylContact O-C 3.42Å; L150-H153 PolarHBondContact O-N 3.31Å; N151-H153 PolarHBondContact O-N 3.41Å; H153-D155 PolarHBondContact O-N 3.04Å; H153-A156 HydrophobicContact CB-CB 4.25Å; H153-A156 VanDerWaalsContact O-CB 3.32Å; H153-A156 WeakPolarHBondContact O-CB 3.3Å; H153-A156 PolarHBondContact O-N 3.06Å; H153-F159 HydrophobicContact CB-CE1 3.89Å; H153-F159 HydrophobicContact CB-CZ 3.98Å; H153-F159 WeakPolarHBondContact O-CZ 3.38Å
154S90.9Very high94.9Very high61 Ų6129.6 Ų29.643%0.42716%0.155SC..THydrogen-bonded Turntrans-58.6-19.8-178580000114.2C68C68-S154 WeakPolarHBondContact O-CB 3.19Å
155D92.3Very high95.1Very high115 Ų11528.7 Ų28.762%0.61515%0.151SC*.THydrogen-bonded Turntrans-90.4-6.9178.864.2-43.4000114.2K70 H153K70-D155 WeakPolarHBondContact CE-O 3.48Å; K70-D155 PolarHBondContact NZ-O 3.48Å; H153-D155 PolarHBondContact O-N 3.04Å
156A94.1Very high95.1Very high8 Ų831.5 Ų31.57%0.06616%0.163CC..  trans-63.7143.8178.200000112I101 H153 G158 F159I101-A156 HydrophobicContact CG1-CB 3.73Å; H153-A156 HydrophobicContact CB-CB 4.25Å; H153-A156 VanDerWaalsContact O-CB 3.32Å; H153-A156 WeakPolarHBondContact O-CB 3.3Å; H153-A156 PolarHBondContact O-N 3.06Å; A156-G158 VanDerWaalsContact C-N 3.27Å; A156-F159 HydrophobicContact CB-CE1 4.35Å; A156-F159 HydrophobicContact CB-CE2 4.26Å; A156-F159 HydrophobicContact CB-CZ 3.96Å
157D93.4Very high95.1Very high47 Ų4732.2 Ų32.225%0.25117%0.167SC..SBendtrans-78.2-19.7175.4-71.6-1.4000110.8K70 T73 V74 K99 F100K70-D157 IonicContact NZ-OD1 3.76Å; K70-D157 PolarHBondContact NZ-OD1 3.3Å; T73-D157 WeakPolarHBondContact CA-O 3.41Å; V74-D157 PolarHBondContact N-O 3.17Å; K99-D157 HydrophobicContact CB-CB 4.01Å; K99-D157 WeakPolarHBondContact CD-OD2 3.47Å; K99-D157 IonicContact NZ-OD2 3.38Å; K99-D157 PolarHBondContact NZ-OD2 3.5Å; K99-D157 PolarHBondContact O-N 3.25Å; F100-D157 HydrophobicContact CE2-CB 4.45Å
158G95.3Very high95.1Very high0 Ų036.7 Ų36.70%019%0.188CC..EExtended strand (participates in β ladder)trans-172.9176.1173.400000114.9V74 F100 I101 A156V74-G158 CarbonylContact O-C 3.53Å; V74-G158 WeakPolarHBondContact O-CA 3.38Å; F100-G158 CarbonylContact C-O 3.6Å; F100-G158 VanDerWaalsContact CA-O 3.26Å; F100-G158 WeakPolarHBondContact CA-O 3.44Å; F100-G158 VanDerWaalsContact CD1-C 3.44Å; I101-G158 PolarHBondContact N-O 3.37Å; A156-G158 VanDerWaalsContact C-N 3.27Å
159F96.8Very high95.2Very high1 Ų138.2 Ų38.20%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-133.1133.4-179-63.9-86.7000110.8V69 T73 V74 V75 I76 I101 V103 L150 H153 A156 I161V69-F159 HydrophobicContact CB-CE2 4.45Å; V69-F159 HydrophobicContact CG1-CE2 3.94Å; V69-F159 HydrophobicContact CG1-CZ 4.22Å; T73-F159 HydrophobicContact CG2-CD2 3.51Å; T73-F159 HydrophobicContact CG2-CE2 3.6Å; V74-F159 PolarHBondContact O-N 2.95Å; V75-F159 WeakPolarHBondContact CA-O 3.27Å; V75-F159 HydrophobicContact CG2-CB 4.46Å; V75-F159 HydrophobicContact CG2-CD2 4.46Å; I76-F159 PolarHBondContact N-O 3.05Å; I101-F159 HydrophobicContact CB-CD1 3.71Å; I101-F159 HydrophobicContact CB-CE1 3.81Å; I101-F159 HydrophobicContact CG1-CD1 4.5Å; I101-F159 HydrophobicContact CG1-CE1 4.18Å; I101-F159 HydrophobicContact CG2-CD1 4.19Å; I101-F159 HydrophobicContact CG2-CE1 4.22Å; I101-F159 WeakPolarHBondContact O-CA 3.47Å; V103-F159 HydrophobicContact CG2-CD1 3.99Å; L150-F159 HydrophobicContact CB-CE1 4.43Å; L150-F159 HydrophobicContact CB-CZ 4.22Å; L150-F159 HydrophobicContact CD2-CB 4.05Å; L150-F159 HydrophobicContact CD2-CD1 3.3Å; L150-F159 HydrophobicContact CD2-CD2 3.89Å; L150-F159 HydrophobicContact CD2-CE1 3.57Å; L150-F159 HydrophobicContact CD2-CE2 4.13Å; L150-F159 HydrophobicContact CD2-CG 3.47Å; L150-F159 VanDerWaalsContact CD2-CG 3.47Å; L150-F159 HydrophobicContact CD2-CZ 3.98Å; L150-F159 WeakPolarHBondContact O-CZ 3.5Å; H153-F159 HydrophobicContact CB-CE1 3.89Å; H153-F159 HydrophobicContact CB-CZ 3.98Å; H153-F159 WeakPolarHBondContact O-CZ 3.38Å; A156-F159 HydrophobicContact CB-CE1 4.35Å; A156-F159 HydrophobicContact CB-CE2 4.26Å; A156-F159 HydrophobicContact CB-CZ 3.96Å; F159-I161 HydrophobicContact CB-CG1 4.21Å
160I95.8Very high95.3Very high3 Ų336.2 Ų36.22%0.01519%0.187CC..EExtended strand (participates in β ladder)trans-105.8106.3167.3-58.1177.5000107.1I76 I78 L93 Y97 F100 I101 Y102 V103I76-I160 CarbonylContact O-C 3.58Å; I76-I160 WeakPolarHBondContact O-CA 3.47Å; I78-I160 HydrophobicContact CD1-CG2 3.6Å; I78-I160 HydrophobicContact CG1-CG2 4.02Å; L93-I160 HydrophobicContact CB-CD1 4.31Å; L93-I160 HydrophobicContact CD1-CD1 4.32Å; L93-I160 HydrophobicContact CD1-CG2 4.38Å; L93-I160 HydrophobicContact CD2-CD1 4.3Å; Y97-I160 HydrophobicContact CD2-CD1 4.12Å; F100-I160 HydrophobicContact CD1-CG1 4.06Å; I101-I160 PolarHBondContact O-N 3.3Å; Y102-I160 HydrophobicContact CD2-CB 4.08Å; Y102-I160 HydrophobicContact CD2-CG2 3.94Å; Y102-I160 HydrophobicContact CE2-CG2 4.14Å; V103-I160 PolarHBondContact N-O 3.4Å
161I96.3Very high95.4Very high0 Ų036.1 Ų36.10%019%0.187CC..EExtended strand (participates in β ladder)trans-99.2109.7-174.5-52.9169.2000109V75 I76 C77 I78 V103 L146 L150 F159 F164V75-I161 HydrophobicContact CG1-CD1 3.58Å; V75-I161 HydrophobicContact CG1-CG1 4.34Å; I76-I161 PolarHBondContact O-N 3.23Å; C77-I161 CarbonylContact C-O 3.34Å; C77-I161 VanDerWaalsContact CA-O 3.31Å; C77-I161 WeakPolarHBondContact CA-O 3.03Å; I78-I161 PolarHBondContact N-O 3.11Å; V103-I161 HydrophobicContact CB-CG1 4.44Å; V103-I161 CarbonylContact O-C 3.42Å; V103-I161 WeakPolarHBondContact O-CA 3.39Å; L146-I161 HydrophobicContact CD1-CD1 4Å; L146-I161 HydrophobicContact CD1-CG1 4.39Å; L146-I161 HydrophobicContact CD1-CG2 4.03Å; L146-I161 HydrophobicContact CD2-CD1 4.47Å; L150-I161 HydrophobicContact CD2-CD1 4.45Å; F159-I161 HydrophobicContact CB-CG1 4.21Å; I161-F164 HydrophobicContact CG2-CB 3.93Å
162Y94.4Very high95.4Very high19 Ų1938.4 Ų38.48%0.07520%0.199CC..EExtended strand (participates in β ladder)trans-91.8137.9178177.5-91000112I78 S80 R86 Y102 V103 L105 P106I78-Y162 HydrophobicContact CB-CD2 3.88Å; I78-Y162 HydrophobicContact CG2-CD2 3.69Å; I78-Y162 HydrophobicContact CG2-CE2 4.02Å; I78-Y162 CarbonylContact O-C 3.59Å; S80-Y162 PolarHBondContact OG-OH 2.67Å; R86-Y162 HydrophobicContact CG-CE1 3.8Å; Y102-Y162 VanDerWaalsContact OH-CB 3.31Å; Y102-Y162 WeakPolarHBondContact OH-CB 3.43Å; V103-Y162 PolarHBondContact O-N 3.21Å; L105-Y162 PolarHBondContact N-O 3.21Å; L105-Y162 VanDerWaalsContact N-O 3.11Å; P106-Y162 VanDerWaalsContact CD-O 3.24Å; P106-Y162 WeakPolarHBondContact CD-O 3.28Å
163G92.4Very high95.5Very high6 Ų633.4 Ų33.46%0.06218%0.176CC..THydrogen-bonded Turntrans81.520173.500000114.8I78 K166I78-G163 PolarHBondContact O-N 2.82Å; G163-K166 WeakPolarHBondContact O-CE 3.44Å
164F95.6Very high95.6Very high2 Ų231.3 Ų31.31%0.00917%0.166CC..  trans-148.3145.5-178.9-177.2-89.2000110.3C77 L105 V142 L146 I161 Q170 L174C77-F164 WeakPolarHBondContact CB-O 3.32Å; L105-F164 HydrophobicContact CD2-CB 3.59Å; L105-F164 HydrophobicContact CD2-CD2 3.36Å; L105-F164 HydrophobicContact CD2-CE2 4.25Å; L105-F164 HydrophobicContact CD2-CG 3.69Å; V142-F164 HydrophobicContact CG1-CD2 4.08Å; V142-F164 HydrophobicContact CG1-CE2 3.97Å; L146-F164 HydrophobicContact CD2-CD1 4.09Å; L146-F164 HydrophobicContact CD2-CE1 3.83Å; L146-F164 HydrophobicContact CD2-CE2 4.44Å; L146-F164 HydrophobicContact CD2-CZ 4.02Å; I161-F164 HydrophobicContact CG2-CB 3.93Å; F164-Q170 HydrophobicContact CD2-CB 4.31Å; F164-Q170 HydrophobicContact CD2-CG 4.38Å; F164-Q170 HydrophobicContact CE2-CB 3.55Å; F164-Q170 HydrophobicContact CE2-CG 3.66Å; F164-Q170 HydrophobicContact CZ-CB 3.77Å; F164-Q170 HydrophobicContact CZ-CG 4.31Å; F164-Q170 VanDerWaalsContact CZ-O 3.31Å; F164-Q170 WeakPolarHBondContact CZ-O 3.24Å; F164-L174 HydrophobicContact CD1-CD2 4.47Å; F164-L174 HydrophobicContact CE1-CB 4Å; F164-L174 HydrophobicContact CE1-CD1 3.99Å; F164-L174 HydrophobicContact CE1-CD2 4.11Å; F164-L174 HydrophobicContact CE1-CG 4.25Å
165P97.6Very high95.8Very high0 Ų031.1 Ų31.10%016%0.158CC..  cis-75.3155.3-7.732.8-38.1000112.9I79 Q170 Y171 I237I79-P165 HydrophobicContact CD1-CG 4.23Å; P165-Q170 HydrophobicContact CB-CB 3.69Å; P165-Y171 HydrophobicContact CG-CD2 3.99Å; P165-Y171 HydrophobicContact CG-CG 4.34Å; P165-I237 HydrophobicContact CG-CD1 3.86Å
166K96.1Very high95.9Very high62 Ų6232.2 Ų32.227%0.2716%0.159SC..  trans-108.9-10.3172.4-66.3-173.8175.9-69.20113.6L136 G163 Q229 T230L136-K166 HydrophobicContact CD2-CB 4.19Å; L136-K166 HydrophobicContact CD2-CD 3.65Å; G163-K166 WeakPolarHBondContact O-CE 3.44Å; K166-Q229 CarbonylContact O-C 3.54Å; K166-T230 VanDerWaalsContact O-CA 3.29Å; K166-T230 WeakPolarHBondContact O-CA 3.28Å; K166-T230 PolarHBondContact O-N 2.81Å; K166-T230 PolarHBondContact O-OG1 3.24Å
167T97Very high95.9Very high17 Ų1735.7 Ų35.710%0.10417%0.171CC..SBendtrans-142.5159.3-178.968.90000110.5L136 I169 Q170 Y171 Q229L136-T167 HydrophobicContact CD1-CG2 3.38Å; T167-I169 PolarHBondContact O-N 3.34Å; T167-Q170 WeakPolarHBondContact O-CB 3.32Å; T167-Q170 PolarHBondContact O-N 2.56Å; T167-Q170 VanDerWaalsContact O-N 3.16Å; T167-Q170 WeakPolarHBondContact OG1-CG 3.5Å; T167-Q170 PolarHBondContact OG1-N 2.81Å; T167-Y171 PolarHBondContact O-N 3Å; T167-Q229 HydrophobicContact CG2-CB 4.25Å; T167-Q229 VanDerWaalsContact CG2-OE1 3.26Å
168E97.2Very high95.9Very high94 Ų9433.6 Ų33.644%0.43916%0.16SC..Hα-helixtrans-56.7-40.6175.6-61.1175.5122.700111.5Q170 Y171 L172 Q232 L236E168-Q170 PolarHBondContact O-N 3.06Å; E168-Y171 WeakPolarHBondContact O-CB 3.31Å; E168-Y171 PolarHBondContact O-N 2.91Å; E168-Y171 VanDerWaalsContact O-N 3.12Å; E168-L172 WeakPolarHBondContact O-CG 3.31Å; E168-L172 PolarHBondContact O-N 3.16Å; E168-Q232 HydrophobicContact CG-CB 4.21Å; E168-L236 HydrophobicContact CB-CD1 3.7Å; E168-L236 HydrophobicContact CG-CD1 3.68Å; E168-L236 HydrophobicContact CG-CG 4.47Å
169I97.1Very high95.8Very high99 Ų9934.6 Ų34.651%0.50817%0.17SC..Hα-helixtrans-62.7-44178.2-61.4171.3000110.7N139 T167 Y171 L172 D173N139-I169 HydrophobicContact CB-CG2 4.47Å; N139-I169 WeakPolarHBondContact ND2-CG2 3.4Å; T167-I169 PolarHBondContact O-N 3.34Å; I169-Y171 PolarHBondContact O-N 2.77Å; I169-L172 PolarHBondContact O-N 2.94Å; I169-D173 PolarHBondContact O-N 3.06Å
170Q97.9Very high95.6Very high8 Ų837.2 Ų37.24%0.03718%0.183CC..Hα-helixtrans-61.2-36.3175.4-76178.17.700111.9N139 F164 P165 T167 E168 L174N139-Q170 WeakPolarHBondContact OD1-CG 3.32Å; F164-Q170 HydrophobicContact CD2-CB 4.31Å; F164-Q170 HydrophobicContact CD2-CG 4.38Å; F164-Q170 HydrophobicContact CE2-CB 3.55Å; F164-Q170 HydrophobicContact CE2-CG 3.66Å; F164-Q170 HydrophobicContact CZ-CB 3.77Å; F164-Q170 HydrophobicContact CZ-CG 4.31Å; F164-Q170 VanDerWaalsContact CZ-O 3.31Å; F164-Q170 WeakPolarHBondContact CZ-O 3.24Å; P165-Q170 HydrophobicContact CB-CB 3.69Å; T167-Q170 WeakPolarHBondContact O-CB 3.32Å; T167-Q170 PolarHBondContact O-N 2.56Å; T167-Q170 VanDerWaalsContact O-N 3.16Å; T167-Q170 WeakPolarHBondContact OG1-CG 3.5Å; T167-Q170 PolarHBondContact OG1-N 2.81Å; E168-Q170 PolarHBondContact O-N 3.06Å; Q170-L174 PolarHBondContact O-N 2.92Å
171Y98.1Very high95.4Very high0 Ų043.7 Ų43.70%022%0.218CC..Hα-helixtrans-70.4-41.9175.8-174-129.7000112.4P165 T167 E168 I169 D173 L174 K175 L183 L236 I237 D240P165-Y171 HydrophobicContact CG-CD2 3.99Å; P165-Y171 HydrophobicContact CG-CG 4.34Å; T167-Y171 PolarHBondContact O-N 3Å; E168-Y171 WeakPolarHBondContact O-CB 3.31Å; E168-Y171 PolarHBondContact O-N 2.91Å; E168-Y171 VanDerWaalsContact O-N 3.12Å; I169-Y171 PolarHBondContact O-N 2.77Å; Y171-D173 VanDerWaalsContact C-N 3.3Å; Y171-D173 PolarHBondContact O-N 3.12Å; Y171-L174 HydrophobicContact CD2-CB 4.39Å; Y171-L174 HydrophobicContact CD2-CD2 4.14Å; Y171-L174 HydrophobicContact CE2-CD2 4.34Å; Y171-L174 VanDerWaalsContact O-CB 3.29Å; Y171-L174 WeakPolarHBondContact O-CB 3.47Å; Y171-L174 PolarHBondContact O-N 3.04Å; Y171-L174 VanDerWaalsContact O-N 3.11Å; Y171-K175 HydrophobicContact CE1-CD 4.39Å; Y171-K175 HydrophobicContact CE2-CG 4.49Å; Y171-K175 VanDerWaalsContact CZ-CE 3.49Å; Y171-K175 WeakPolarHBondContact O-CG 3.29Å; Y171-K175 PolarHBondContact O-N 3.42Å; Y171-L183 HydrophobicContact CE2-CD2 3.65Å; Y171-L236 HydrophobicContact CD1-CB 3.72Å; Y171-L236 HydrophobicContact CD1-CD1 4.47Å; Y171-L236 HydrophobicContact CE1-CB 3.95Å; Y171-I237 HydrophobicContact CD1-CG1 3.81Å; Y171-I237 HydrophobicContact CD2-CD1 4.16Å; Y171-I237 HydrophobicContact CD2-CG1 3.65Å; Y171-I237 HydrophobicContact CE1-CB 4.22Å; Y171-I237 HydrophobicContact CE1-CG1 3.56Å; Y171-I237 HydrophobicContact CE2-CB 4.46Å; Y171-I237 HydrophobicContact CE2-CD1 4.29Å; Y171-I237 HydrophobicContact CE2-CG1 3.45Å; Y171-I237 VanDerWaalsContact CE2-CG1 3.45Å; Y171-I237 HydrophobicContact CG-CD1 4.43Å; Y171-I237 HydrophobicContact CG-CG1 3.84Å; Y171-D240 VanDerWaalsContact CE1-OD2 3.24Å; Y171-D240 WeakPolarHBondContact CE1-OD2 3.19Å; Y171-D240 PolarHBondContact OH-OD2 3.29Å
172L96.8Very high95.4Very high91 Ų9146.3 Ų46.348%0.47623%0.227SC..Hα-helixtrans-60.8-39.9173.9-67.7173.6000111.8E168 I169 L174 K175 Q176E168-L172 WeakPolarHBondContact O-CG 3.31Å; E168-L172 PolarHBondContact O-N 3.16Å; I169-L172 PolarHBondContact O-N 2.94Å; L172-L174 VanDerWaalsContact C-N 3.35Å; L172-K175 WeakPolarHBondContact O-CB 3.33Å; L172-K175 PolarHBondContact O-N 2.71Å; L172-Q176 WeakPolarHBondContact O-CB 3.49Å; L172-Q176 PolarHBondContact O-N 3.04Å
173D96.1Very high95.5Very high21 Ų2145.5 Ų45.511%0.11222%0.224CC..Hα-helixtrans-64.7-39.7173.1-75.6-12.4000111.7N139 L143 I169 Y171 K175 Q176 Y177N139-D173 PolarHBondContact ND2-OD2 2.8Å; L143-D173 HydrophobicContact CD1-CB 4.09Å; L143-D173 HydrophobicContact CD2-CB 4.17Å; I169-D173 PolarHBondContact O-N 3.06Å; Y171-D173 VanDerWaalsContact C-N 3.3Å; Y171-D173 PolarHBondContact O-N 3.12Å; D173-K175 VanDerWaalsContact C-N 3.31Å; D173-K175 PolarHBondContact O-N 2.63Å; D173-Q176 PolarHBondContact O-N 3.21Å; D173-Y177 HydrophobicContact CB-CD2 4.07Å; D173-Y177 HydrophobicContact CB-CE2 4.41Å; D173-Y177 WeakPolarHBondContact O-CB 3.47Å; D173-Y177 VanDerWaalsContact O-CD2 3.28Å; D173-Y177 WeakPolarHBondContact O-CD2 2.87Å; D173-Y177 PolarHBondContact O-N 2.93Å
174L96.1Very high95.6Very high3 Ų348.2 Ų48.22%0.01624%0.235CC..Iπ-helixtrans-58.3-46.1173.8-170.759.4000110.9F164 Q170 Y171 L172 Q176 V178 G179 L183F164-L174 HydrophobicContact CD1-CD2 4.47Å; F164-L174 HydrophobicContact CE1-CB 4Å; F164-L174 HydrophobicContact CE1-CD1 3.99Å; F164-L174 HydrophobicContact CE1-CD2 4.11Å; F164-L174 HydrophobicContact CE1-CG 4.25Å; Q170-L174 PolarHBondContact O-N 2.92Å; Y171-L174 HydrophobicContact CD2-CB 4.39Å; Y171-L174 HydrophobicContact CD2-CD2 4.14Å; Y171-L174 HydrophobicContact CE2-CD2 4.34Å; Y171-L174 VanDerWaalsContact O-CB 3.29Å; Y171-L174 WeakPolarHBondContact O-CB 3.47Å; Y171-L174 PolarHBondContact O-N 3.04Å; Y171-L174 VanDerWaalsContact O-N 3.11Å; L172-L174 VanDerWaalsContact C-N 3.35Å; L174-Q176 VanDerWaalsContact C-N 3.33Å; L174-Q176 PolarHBondContact O-N 3.17Å; L174-V178 HydrophobicContact CD1-CB 3.82Å; L174-V178 HydrophobicContact CD1-CG1 4.3Å; L174-V178 HydrophobicContact CD1-CG2 3.59Å; L174-V178 WeakPolarHBondContact O-CA 3.24Å; L174-V178 VanDerWaalsContact O-CB 3.31Å; L174-V178 WeakPolarHBondContact O-CB 3.48Å; L174-V178 PolarHBondContact O-N 3.47Å; L174-G179 PolarHBondContact O-N 2.68Å; L174-L183 HydrophobicContact CD2-CD1 3.93Å; L174-L183 HydrophobicContact CD2-CD2 3.72Å; L174-L183 HydrophobicContact CD2-CG 4.41Å; L174-L183 HydrophobicContact CG-CD2 4.17Å
175K95.1Very high95.5Very high58 Ų5848.1 Ų48.125%0.25223%0.234SC..Iπ-helixtrans-58.3-45.6174.8-64.3-169.8178.5-1730111.7Y171 L172 D173 G179 M180 D240Y171-K175 HydrophobicContact CE1-CD 4.39Å; Y171-K175 HydrophobicContact CE2-CG 4.49Å; Y171-K175 VanDerWaalsContact CZ-CE 3.49Å; Y171-K175 WeakPolarHBondContact O-CG 3.29Å; Y171-K175 PolarHBondContact O-N 3.42Å; L172-K175 WeakPolarHBondContact O-CB 3.33Å; L172-K175 PolarHBondContact O-N 2.71Å; D173-K175 VanDerWaalsContact C-N 3.31Å; D173-K175 PolarHBondContact O-N 2.63Å; K175-G179 VanDerWaalsContact O-CA 3.26Å; K175-G179 WeakPolarHBondContact O-CA 3.34Å; K175-G179 PolarHBondContact O-N 2.82Å; K175-M180 HydrophobicContact CB-CG 4.42Å; K175-M180 HydrophobicContact CB-SD 4.41Å; K175-M180 HydrophobicContact CD-SD 4.19Å; K175-M180 HydrophobicContact CG-CG 4.23Å; K175-M180 HydrophobicContact CG-SD 3.7Å; K175-D240 WeakPolarHBondContact CE-OD2 3.29Å; K175-D240 IonicContact NZ-OD1 2.77Å; K175-D240 PolarHBondContact NZ-OD1 3.07Å; K175-D240 IonicContact NZ-OD2 3.66Å; K175-D240 PolarHBondContact NZ-OD2 3.18Å
176Q94.6Very high95.5Very high137 Ų13748.2 Ų48.264%0.6424%0.235SC*.Iπ-helixtrans-73.7-44.6-173.9-179.7176.9-18.100113.3L172 D173 L174L172-Q176 WeakPolarHBondContact O-CB 3.49Å; L172-Q176 PolarHBondContact O-N 3.04Å; D173-Q176 PolarHBondContact O-N 3.21Å; L174-Q176 VanDerWaalsContact C-N 3.33Å; L174-Q176 PolarHBondContact O-N 3.17Å
177Y94.2Very high95.4Very high82 Ų8245.2 Ų45.232%0.32222%0.222SC..Iπ-helixtrans-98.3-27.3-169.4-68-85.1000113.6L67 L143 L147 D173L67-Y177 WeakPolarHBondContact CB-O 3.35Å; L67-Y177 WeakPolarHBondContact CD2-O 3.36Å; L143-Y177 HydrophobicContact CD1-CD2 4.2Å; L143-Y177 HydrophobicContact CD1-CG 4.42Å; L143-Y177 HydrophobicContact CD2-CD2 3.67Å; L143-Y177 HydrophobicContact CD2-CE2 3.54Å; L143-Y177 HydrophobicContact CD2-CG 4.27Å; L147-Y177 HydrophobicContact CD1-CD1 4.24Å; L147-Y177 HydrophobicContact CD1-CG 4.38Å; D173-Y177 HydrophobicContact CB-CD2 4.07Å; D173-Y177 HydrophobicContact CB-CE2 4.41Å; D173-Y177 WeakPolarHBondContact O-CB 3.47Å; D173-Y177 VanDerWaalsContact O-CD2 3.28Å; D173-Y177 WeakPolarHBondContact O-CD2 2.87Å; D173-Y177 PolarHBondContact O-N 2.93Å
178V94.1Very high95.3Very high3 Ų344.9 Ų44.92%0.01822%0.219CC..Iπ-helixtrans-98.5-36175.7177.60000112L67 V75 L150 L174 R182L67-V178 HydrophobicContact CD2-CB 4.28Å; L67-V178 HydrophobicContact CD2-CG1 4.35Å; L67-V178 HydrophobicContact CD2-CG2 4.14Å; V75-V178 HydrophobicContact CB-CG1 4.25Å; V75-V178 HydrophobicContact CG1-CG1 4.44Å; V75-V178 HydrophobicContact CG2-CG1 3.75Å; L150-V178 HydrophobicContact CD1-CG2 4.26Å; L174-V178 HydrophobicContact CD1-CB 3.82Å; L174-V178 HydrophobicContact CD1-CG1 4.3Å; L174-V178 HydrophobicContact CD1-CG2 3.59Å; L174-V178 WeakPolarHBondContact O-CA 3.24Å; L174-V178 VanDerWaalsContact O-CB 3.31Å; L174-V178 WeakPolarHBondContact O-CB 3.48Å; L174-V178 PolarHBondContact O-N 3.47Å; V178-R182 HydrophobicContact CG1-CB 4.05Å; V178-R182 WeakPolarHBondContact O-CD 3.26Å; V178-R182 PolarHBondContact O-NH1 2.91Å; V178-R182 VanDerWaalsContact O-NH1 3.1Å
179G92.6Very high95.1Very high20 Ų2040.5 Ų40.521%0.20620%0.199CC..  trans91.4144.2179.100000112.8L174 K175 D181 R182 L183L174-G179 PolarHBondContact O-N 2.68Å; K175-G179 VanDerWaalsContact O-CA 3.26Å; K175-G179 WeakPolarHBondContact O-CA 3.34Å; K175-G179 PolarHBondContact O-N 2.82Å; G179-D181 VanDerWaalsContact C-N 3.28Å; G179-D181 PolarHBondContact O-N 3.34Å; G179-R182 PolarHBondContact O-N 2.8Å; G179-L183 PolarHBondContact O-N 3.26Å
180M93Very high94.7Very high56 Ų5639.6 Ų39.628%0.27620%0.195SC..THydrogen-bonded Turntrans-69.8-22.4-178.5-73.8-61.6-91.600113.4K175 R182 L183 D240 K242K175-M180 HydrophobicContact CB-CG 4.42Å; K175-M180 HydrophobicContact CB-SD 4.41Å; K175-M180 HydrophobicContact CD-SD 4.19Å; K175-M180 HydrophobicContact CG-CG 4.23Å; K175-M180 HydrophobicContact CG-SD 3.7Å; M180-R182 VanDerWaalsContact C-N 3.34Å; M180-L183 HydrophobicContact SD-CD2 4.26Å; M180-D240 HydrophobicContact CE-CB 3.63Å; M180-D240 VanDerWaalsContact CE-CG 3.5Å; M180-K242 HydrophobicContact CE-CD 3.8Å; M180-K242 PolarHBondContact O-NZ 2.93Å; M180-K242 HydrophobicContact SD-CD 4.42Å; M180-K242 PolarHBondContact SD-NZ 2.7Å; M180-K242 VanDerWaalsContact SD-NZ 3.42Å
181D92.1Very high94.2Very high140 Ų14039.9 Ų39.975%0.74920%0.196SC*.THydrogen-bonded Turntrans-71.7-32.7178.4-56.1-44.3000112.3G179 K184G179-D181 VanDerWaalsContact C-N 3.28Å; G179-D181 PolarHBondContact O-N 3.34Å; D181-K184 PolarHBondContact O-NZ 3.06Å
182R95Very high93.5Very high54 Ų5441.5 Ų41.520%0.20421%0.208CC..THydrogen-bonded Turntrans-79.9-43.8177.4-67.1-167.5-177.881.1-1.1112.4K70 T73 V75 V178 G179 M180 K184K70-R182 PolarHBondContact O-NE 2.84Å; K70-R182 PolarHBondContact O-NH2 2.92Å; K70-R182 VanDerWaalsContact O-NH2 3.14Å; T73-R182 VanDerWaalsContact O-CB 3.27Å; T73-R182 WeakPolarHBondContact O-CB 3.26Å; T73-R182 VanDerWaalsContact O-CG 3.27Å; T73-R182 WeakPolarHBondContact O-CG 3.46Å; V75-R182 HydrophobicContact CG2-CB 4.31Å; V75-R182 PolarHBondContact N-O 2.94Å; V178-R182 HydrophobicContact CG1-CB 4.05Å; V178-R182 WeakPolarHBondContact O-CD 3.26Å; V178-R182 PolarHBondContact O-NH1 2.91Å; V178-R182 VanDerWaalsContact O-NH1 3.1Å; G179-R182 PolarHBondContact O-N 2.8Å; M180-R182 VanDerWaalsContact C-N 3.34Å; R182-K184 PolarHBondContact O-N 3.2Å
183L96.1Very high93.1Very high2 Ų239.8 Ų39.81%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-69.4102.8177.9178.666.6000110.2V75 Y171 L174 G179 M180 K242V75-L183 HydrophobicContact CG1-CD1 4.11Å; V75-L183 CarbonylContact O-C 3.49Å; V75-L183 WeakPolarHBondContact O-CA 3.39Å; Y171-L183 HydrophobicContact CE2-CD2 3.65Å; L174-L183 HydrophobicContact CD2-CD1 3.93Å; L174-L183 HydrophobicContact CD2-CD2 3.72Å; L174-L183 HydrophobicContact CD2-CG 4.41Å; L174-L183 HydrophobicContact CG-CD2 4.17Å; G179-L183 PolarHBondContact O-N 3.26Å; M180-L183 HydrophobicContact SD-CD2 4.26Å; L183-K242 HydrophobicContact CD2-CD 4.3Å; L183-K242 HydrophobicContact CG-CD 4.29Å; L183-K242 WeakPolarHBondContact O-CD 2.95Å; L183-K242 VanDerWaalsContact O-CE 3.26Å; L183-K242 WeakPolarHBondContact O-CE 3.45Å; L183-K242 PolarHBondContact O-NZ 3.22Å
184K94.8Very high92.6Very high64 Ų6444.2 Ų44.228%0.27822%0.218SC..EExtended strand (participates in β ladder)trans-83.1-44.8-178.7-63.1-54.1-170.1-167.10112.8V74 V75 D181 R182 M266V74-K184 HydrophobicContact CG1-CB 4.47Å; V74-K184 HydrophobicContact CG1-CG 3.78Å; V75-K184 PolarHBondContact O-N 3.49Å; D181-K184 PolarHBondContact O-NZ 3.06Å; R182-K184 PolarHBondContact O-N 3.2Å; K184-M266 HydrophobicContact CB-CB 4.09Å; K184-M266 HydrophobicContact CB-CG 4.46Å
185C94.7Very high92.2Very high0 Ų047.4 Ų47.40%023%0.23CC..EExtended strand (participates in β ladder)trans-157.2167.3175.470.50000112.3I76 C77 K242 R244 M266I76-C185 WeakPolarHBondContact CA-O 3.22Å; C77-C185 PolarHBondContact N-O 2.9Å; C185-K242 CarbonylContact C-O 3.6Å; C185-K242 WeakPolarHBondContact CA-O 3.4Å; C185-K242 VanDerWaalsContact CB-O 3.27Å; C185-K242 WeakPolarHBondContact CB-O 3.37Å; C185-R244 HydrophobicContact CB-CG 4.27Å; C185-M266 HydrophobicContact CB-CG 4.26Å; C185-M266 HydrophobicContact CB-SD 4.44Å
186A96.6Very high91.9Very high1 Ų144.7 Ų44.71%0.00822%0.218CC..EExtended strand (participates in β ladder)trans-119.7131.3159.400000109.3C77 I79 I237 K242 L243 R244C77-A186 HydrophobicContact CB-CB 3.85Å; C77-A186 CarbonylContact O-C 3.59Å; C77-A186 WeakPolarHBondContact O-CA 3.25Å; I79-A186 HydrophobicContact CD1-CB 4.05Å; A186-I237 HydrophobicContact CB-CD1 4.11Å; A186-I237 HydrophobicContact CB-CG2 3.88Å; A186-K242 PolarHBondContact N-O 3.12Å; A186-L243 CarbonylContact O-C 3.6Å; A186-L243 WeakPolarHBondContact O-CA 3.41Å; A186-R244 PolarHBondContact O-N 2.65Å
187I95.2Very high91.7Very high0 Ų042.1 Ų42.10%020%0.203CC..EExtended strand (participates in β ladder)trans-97.1115.5178.1-58175.6000107.9I76 C77 I78 I79 L189 R244 I246 I259 V262I76-I187 HydrophobicContact CG2-CD1 4.08Å; I76-I187 HydrophobicContact CG2-CG1 4.37Å; C77-I187 PolarHBondContact O-N 3.25Å; I78-I187 CarbonylContact C-O 3.58Å; I78-I187 WeakPolarHBondContact CA-O 3.29Å; I78-I187 HydrophobicContact CG1-CB 4.39Å; I79-I187 PolarHBondContact N-O 3.18Å; I187-L189 HydrophobicContact CG2-CD2 4.12Å; I187-R244 CarbonylContact C-O 3.51Å; I187-R244 VanDerWaalsContact CA-O 3.27Å; I187-R244 WeakPolarHBondContact CA-O 3.23Å; I187-I246 HydrophobicContact CG2-CD1 3.5Å; I187-I246 VanDerWaalsContact CG2-CD1 3.5Å; I187-I246 HydrophobicContact CG2-CG1 4.02Å; I187-I259 HydrophobicContact CD1-CG2 4.06Å; I187-I259 HydrophobicContact CG2-CG1 4.48Å; I187-V262 HydrophobicContact CD1-CB 4.02Å; I187-V262 HydrophobicContact CD1-CG1 3.76Å; I187-V262 HydrophobicContact CG1-CG1 3.9Å
188L94.8Very high91.4Very high10 Ų1043.6 Ų43.65%0.05221%0.211CC..EExtended strand (participates in β ladder)trans-90.5117.5170.3176.762.6000109.3I79 D190 F226 L243 R244 V245 I246I79-L188 HydrophobicContact CB-CD1 4.22Å; I79-L188 HydrophobicContact CG2-CD1 3.94Å; I79-L188 CarbonylContact O-C 3.54Å; I79-L188 WeakPolarHBondContact O-CA 3.48Å; L188-D190 PolarHBondContact O-N 3.3Å; L188-F226 HydrophobicContact CD1-CE2 4.34Å; L188-F226 HydrophobicContact CD1-CZ 4.02Å; L188-L243 HydrophobicContact CB-CD1 4.04Å; L188-R244 PolarHBondContact N-O 3.18Å; L188-V245 HydrophobicContact CB-CG2 4.38Å; L188-V245 HydrophobicContact CD2-CG1 4.47Å; L188-V245 HydrophobicContact CD2-CG2 4.33Å; L188-V245 WeakPolarHBondContact O-CA 3.24Å; L188-I246 PolarHBondContact O-N 2.76Å
189L92.4Very high91Very high1 Ų146.4 Ų46.41%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-83.5101.1165.1-53.6-176.7000107.9I78 I79 I84 I187 I246 I255 I259I78-L189 HydrophobicContact CG2-CD1 4.13Å; I78-L189 HydrophobicContact CG2-CG 4.17Å; I79-L189 PolarHBondContact O-N 3.48Å; I84-L189 HydrophobicContact CD1-CB 3.76Å; I84-L189 HydrophobicContact CD1-CD1 4.08Å; I187-L189 HydrophobicContact CG2-CD2 4.12Å; L189-I246 WeakPolarHBondContact CA-O 2.87Å; L189-I246 HydrophobicContact CD2-CB 4.02Å; L189-I246 HydrophobicContact CD2-CG2 4.22Å; L189-I255 HydrophobicContact CD1-CG2 4.5Å; L189-I255 HydrophobicContact CD2-CG2 4.04Å; L189-I259 HydrophobicContact CD2-CD1 4.16Å; L189-I259 HydrophobicContact CD2-CG1 4.38Å
190D88.4Confident90.7Very high80 Ų8045.5 Ų45.543%0.42821%0.212SC..EExtended strand (participates in β ladder)trans-79.9123.5-176.7-169.926000110.4L188 V245 I246 G248L188-D190 PolarHBondContact O-N 3.3Å; D190-V245 HydrophobicContact CB-CG1 3.72Å; D190-I246 PolarHBondContact N-O 2.83Å; D190-G248 WeakPolarHBondContact O-CA 3.49Å; D190-G248 PolarHBondContact O-N 2.86Å
191I86.6Confident90.4Very high14 Ų1446.3 Ų46.37%0.07222%0.222CC..  trans-140.3147.8-179.558.8166000109.4I84 Y195 G248 E249I84-I191 HydrophobicContact CD1-CD1 4.11Å; I84-I191 HydrophobicContact CD1-CG1 4.48Å; I84-I191 HydrophobicContact CD1-CG2 3.66Å; I84-I191 HydrophobicContact CG1-CD1 3.8Å; I84-I191 HydrophobicContact CG1-CG2 4.22Å; I191-Y195 HydrophobicContact CB-CD1 4.15Å; I191-Y195 HydrophobicContact CD1-CD1 4.15Å; I191-Y195 HydrophobicContact CG2-CD1 4.16Å; I191-Y195 HydrophobicContact CG2-CE1 4.43Å; I191-G248 VanDerWaalsContact CG2-C 3.44Å; I191-G248 WeakPolarHBondContact CG2-O 3.45Å; I191-E249 HydrophobicContact CB-CG 4.21Å; I191-E249 HydrophobicContact CG2-CG 3.97Å
192S85.3Confident89.9Confident35 Ų3544.3 Ų44.325%0.24521%0.209CC..  trans-65.7154.4173.763.80000112.1E194 Y195 S196 E249S192-E194 VanDerWaalsContact C-N 3.25Å; S192-E194 PolarHBondContact O-N 3Å; S192-Y195 PolarHBondContact O-N 3.16Å; S192-Y195 WeakPolarHBondContact OG-CB 3.17Å; S192-Y195 PolarHBondContact OG-N 3.19Å; S192-Y195 VanDerWaalsContact OG-N 3.07Å; S192-S196 WeakPolarHBondContact O-CB 3.35Å; S192-S196 PolarHBondContact O-N 3.38Å; S192-E249 WeakPolarHBondContact CA-OE1 3.45Å; S192-E249 WeakPolarHBondContact CB-OE1 2.99Å; S192-E249 PolarHBondContact N-OE1 3.41Å; S192-E249 PolarHBondContact OG-OE1 2.94Å
193E87.3Confident89Confident55 Ų5545.2 Ų45.226%0.25721%0.212SC..Hα-helixtrans-60.4-39.3173.6-173172151.200110.7S196 R197 L223 K227 E454E193-S196 WeakPolarHBondContact O-CB 3.48Å; E193-S196 PolarHBondContact O-N 3.11Å; E193-R197 VanDerWaalsContact O-CB 3.25Å; E193-R197 WeakPolarHBondContact O-CB 3.35Å; E193-R197 PolarHBondContact O-N 3.33Å; E193-R197 IonicContact OE1-NH2 3.46Å; E193-R197 PolarHBondContact OE1-NH2 3.15Å; E193-L223 HydrophobicContact CG-CD1 3.85Å; E193-L223 HydrophobicContact CG-CD2 4.05Å; E193-L223 HydrophobicContact CG-CG 4.37Å; E193-K227 IonicContact OE2-NZ 3.4Å; E193-K227 PolarHBondContact OE2-NZ 3.34Å; E193-E454 WeakPolarHBondContact CB-OE1 3.4Å
194E85.7Confident87.2Confident114 Ų11451.2 Ų51.253%0.53324%0.243SC..Hα-helixtrans-61-50176.1-171.1-175165.500111.9S192 S196 R197 K198S192-E194 VanDerWaalsContact C-N 3.25Å; S192-E194 PolarHBondContact O-N 3Å; E194-S196 VanDerWaalsContact C-N 3.31Å; E194-S196 PolarHBondContact O-N 3.48Å; E194-R197 PolarHBondContact O-N 3.36Å; E194-K198 VanDerWaalsContact O-CB 3.31Å; E194-K198 WeakPolarHBondContact O-CB 3.3Å; E194-K198 PolarHBondContact O-N 3.02Å
195Y87.3Confident85.4Confident69 Ų6950 Ų5027%0.27124%0.242SC..Hα-helixtrans-58.6-46.6177.3-175.2-86.3000110.8I191 S192 R197 K198 R199 E249I191-Y195 HydrophobicContact CB-CD1 4.15Å; I191-Y195 HydrophobicContact CD1-CD1 4.15Å; I191-Y195 HydrophobicContact CG2-CD1 4.16Å; I191-Y195 HydrophobicContact CG2-CE1 4.43Å; S192-Y195 PolarHBondContact O-N 3.16Å; S192-Y195 WeakPolarHBondContact OG-CB 3.17Å; S192-Y195 PolarHBondContact OG-N 3.19Å; S192-Y195 VanDerWaalsContact OG-N 3.07Å; Y195-R197 PolarHBondContact O-N 3.08Å; Y195-K198 PolarHBondContact O-N 3.42Å; Y195-R199 HydrophobicContact CD1-CG 3.91Å; Y195-R199 HydrophobicContact CE1-CG 3.61Å; Y195-R199 HydrophobicContact CG-CG 4.49Å; Y195-R199 WeakPolarHBondContact O-CB 3.36Å; Y195-R199 WeakPolarHBondContact O-CG 3.22Å; Y195-R199 PolarHBondContact O-N 2.89Å; Y195-E249 WeakPolarHBondContact CB-OE1 3.14Å; Y195-E249 HydrophobicContact CD1-CG 4.38Å; Y195-E249 HydrophobicContact CD2-CB 4.47Å; Y195-E249 HydrophobicContact CD2-CG 4.02Å; Y195-E249 HydrophobicContact CE2-CG 4.44Å; Y195-E249 HydrophobicContact CG-CG 4Å
196S89.8Confident83.1Confident2 Ų258.1 Ų58.11%0.01428%0.28CS..Hα-helixtrans-58.2-49.2177.5-176.10000112.4P82 S192 E193 E194 R199 L200 L223P82-S196 WeakPolarHBondContact CD-OG 3.28Å; P82-S196 VanDerWaalsContact CG-OG 3.28Å; P82-S196 WeakPolarHBondContact CG-OG 3.2Å; P82-S196 WeakPolarHBondContact O-CA 3.35Å; P82-S196 WeakPolarHBondContact O-CB 3.23Å; P82-S196 PolarHBondContact O-OG 3.49Å; S192-S196 WeakPolarHBondContact O-CB 3.35Å; S192-S196 PolarHBondContact O-N 3.38Å; E193-S196 WeakPolarHBondContact O-CB 3.48Å; E193-S196 PolarHBondContact O-N 3.11Å; E194-S196 VanDerWaalsContact C-N 3.31Å; E194-S196 PolarHBondContact O-N 3.48Å; S196-R199 PolarHBondContact O-N 2.93Å; S196-L200 WeakPolarHBondContact O-CB 3.26Å; S196-L200 VanDerWaalsContact O-CG 3.31Å; S196-L200 WeakPolarHBondContact O-CG 3.4Å; S196-L200 PolarHBondContact O-N 3Å; S196-L223 WeakPolarHBondContact OG-CD2 3.49Å
197R89.4Confident80.8Confident83 Ų8364 Ų6431%0.31332%0.316SS..Hα-helixtrans-61.8-47.8179.1-177.6173.7-62.7-80.34.4111.8E193 E194 Y195 R199 L200 S201 I219 D220 L223E193-R197 VanDerWaalsContact O-CB 3.25Å; E193-R197 WeakPolarHBondContact O-CB 3.35Å; E193-R197 PolarHBondContact O-N 3.33Å; E193-R197 IonicContact OE1-NH2 3.46Å; E193-R197 PolarHBondContact OE1-NH2 3.15Å; E194-R197 PolarHBondContact O-N 3.36Å; Y195-R197 PolarHBondContact O-N 3.08Å; R197-R199 PolarHBondContact O-N 3.37Å; R197-L200 PolarHBondContact O-N 2.76Å; R197-S201 WeakPolarHBondContact O-CB 3.41Å; R197-S201 PolarHBondContact O-N 3.06Å; R197-S201 PolarHBondContact O-OG 2.88Å; R197-I219 HydrophobicContact CB-CG2 4.49Å; R197-I219 HydrophobicContact CG-CG2 4.14Å; R197-D220 IonicContact CZ-OD1 3.54Å; R197-D220 IonicContact NH1-OD1 3.27Å; R197-D220 PolarHBondContact NH1-OD1 3.17Å; R197-D220 IonicContact NH2-OD1 3.4Å; R197-D220 PolarHBondContact NH2-OD1 3.13Å; R197-L223 HydrophobicContact CB-CD1 4.19Å; R197-L223 VanDerWaalsContact CZ-CD1 3.41Å
198K88.4Confident78.8Confident112 Ų11268.4 Ų68.449%0.48734%0.34SS..Hα-helixtrans-56.2-52.1176.7-179.1177.8177.4-179.50110.6E194 Y195 L200 S201 E202E194-K198 VanDerWaalsContact O-CB 3.31Å; E194-K198 WeakPolarHBondContact O-CB 3.3Å; E194-K198 PolarHBondContact O-N 3.02Å; Y195-K198 PolarHBondContact O-N 3.42Å; K198-L200 VanDerWaalsContact C-N 3.35Å; K198-L200 PolarHBondContact O-N 3Å; K198-S201 PolarHBondContact O-N 2.97Å; K198-S201 VanDerWaalsContact O-N 3.16Å; K198-S201 PolarHBondContact O-OG 3.48Å; K198-E202 WeakPolarHBondContact CE-OE1 3.47Å; K198-E202 HydrophobicContact CG-CG 4.4Å; K198-E202 WeakPolarHBondContact CG-OE1 3.44Å; K198-E202 WeakPolarHBondContact O-CB 3.35Å; K198-E202 WeakPolarHBondContact O-CG 3.31Å; K198-E202 PolarHBondContact O-N 3.38Å
199R86.6Confident76.9Confident63 Ų6377.1 Ų77.124%0.23838%0.38CS..Hα-helixtrans-64.3-35.2-178.8-65.6-71.4-73.2124.6-2.2113.5G83 D85 Y195 S196 R197 R203G83-R199 WeakPolarHBondContact O-CB 3.31Å; D85-R199 IonicContact OD2-NH2 3.52Å; Y195-R199 HydrophobicContact CD1-CG 3.91Å; Y195-R199 HydrophobicContact CE1-CG 3.61Å; Y195-R199 HydrophobicContact CG-CG 4.49Å; Y195-R199 WeakPolarHBondContact O-CB 3.36Å; Y195-R199 WeakPolarHBondContact O-CG 3.22Å; Y195-R199 PolarHBondContact O-N 2.89Å; S196-R199 PolarHBondContact O-N 2.93Å; R197-R199 PolarHBondContact O-N 3.37Å; R199-R203 PolarHBondContact O-N 2.93Å
200L86Confident75.2Confident1 Ų179.5 Ų79.51%0.00540%0.395CS..Hα-helixtrans-68.8-41.4173.4-73.2169.8000112.1P82 S196 R197 K198 R203 N214 I219P82-L200 HydrophobicContact CB-CD1 3.91Å; P82-L200 HydrophobicContact CB-CD2 4.26Å; P82-L200 HydrophobicContact CB-CG 4.43Å; P82-L200 HydrophobicContact CG-CD1 3.98Å; S196-L200 WeakPolarHBondContact O-CB 3.26Å; S196-L200 VanDerWaalsContact O-CG 3.31Å; S196-L200 WeakPolarHBondContact O-CG 3.4Å; S196-L200 PolarHBondContact O-N 3Å; R197-L200 PolarHBondContact O-N 2.76Å; K198-L200 VanDerWaalsContact C-N 3.35Å; K198-L200 PolarHBondContact O-N 3Å; L200-R203 WeakPolarHBondContact O-CB 3.48Å; L200-R203 PolarHBondContact O-N 3.26Å; L200-N214 WeakPolarHBondContact O-CB 3.36Å; L200-N214 VanDerWaalsContact O-CG 3.28Å; L200-N214 PolarHBondContact O-OD1 3.44Å; L200-I219 HydrophobicContact CB-CD1 3.85Å; L200-I219 HydrophobicContact CB-CG1 3.89Å; L200-I219 HydrophobicContact CB-CG2 4.45Å; L200-I219 HydrophobicContact CD1-CB 4.38Å; L200-I219 HydrophobicContact CD1-CG1 4.19Å; L200-I219 HydrophobicContact CD1-CG2 3.86Å
201S85.2Confident73.9Confident72 Ų7276.2 Ų76.250%0.50338%0.377SS..Hα-helixtrans-68.8-35.117971.90000113.2R197 K198 R203R197-S201 WeakPolarHBondContact O-CB 3.41Å; R197-S201 PolarHBondContact O-N 3.06Å; R197-S201 PolarHBondContact O-OG 2.88Å; K198-S201 PolarHBondContact O-N 2.97Å; K198-S201 VanDerWaalsContact O-N 3.16Å; K198-S201 PolarHBondContact O-OG 3.48Å; S201-R203 VanDerWaalsContact C-N 3.26Å; S201-R203 PolarHBondContact O-N 3.43Å
202E83.6Confident73.1Confident99 Ų9978.5 Ų78.546%0.46339%0.39SS..THydrogen-bonded Turntrans-77.8-8.8178.6-72.7174.8174.300113.3K198 I204K198-E202 WeakPolarHBondContact CE-OE1 3.47Å; K198-E202 HydrophobicContact CG-CG 4.4Å; K198-E202 WeakPolarHBondContact CG-OE1 3.44Å; K198-E202 WeakPolarHBondContact O-CB 3.35Å; K198-E202 WeakPolarHBondContact O-CG 3.31Å; K198-E202 PolarHBondContact O-N 3.38Å; E202-I204 PolarHBondContact O-N 3.07Å
203R75.4Confident72.6Confident73 Ų7377.9 Ų77.928%0.27538%0.384SS..  trans-68.696.2179-174.9178.9-73.7164.3-3.9108.8R199 L200 S201 S205 N214R199-R203 PolarHBondContact O-N 2.93Å; L200-R203 WeakPolarHBondContact O-CB 3.48Å; L200-R203 PolarHBondContact O-N 3.26Å; S201-R203 VanDerWaalsContact C-N 3.26Å; S201-R203 PolarHBondContact O-N 3.43Å; R203-S205 PolarHBondContact O-N 3.16Å; R203-N214 WeakPolarHBondContact CB-ND2 3.27Å; R203-N214 PolarHBondContact O-ND2 2.95Å
204I58.7Low72.2Confident127 Ų12776.5 Ų76.565%0.65138%0.378SS*.  trans-83.893.3171.7-53.7173000107.4E202 H206E202-I204 PolarHBondContact O-N 3.07Å; I204-H206 VanDerWaalsContact CG2-CD2 3.4Å; I204-H206 WeakPolarHBondContact CG2-CD2 3.44Å; I204-H206 WeakPolarHBondContact CG2-NE2 3.23Å; I204-H206 PolarHBondContact O-N 3.2Å
205S56.5Low72.3Confident38 Ų3877.1 Ų77.127%0.26638%0.381SS..  trans-72.877.9173.4-60.10000109.7R203 T207R203-S205 PolarHBondContact O-N 3.16Å; S205-T207 PolarHBondContact O-N 3.42Å
206H47.2Very low72.2Confident171 Ų17178.3 Ų78.379%0.79240%0.397SS*.SBendtrans-68.2-11.8170-83.2-57.1000112.7I204I204-H206 VanDerWaalsContact CG2-CD2 3.4Å; I204-H206 WeakPolarHBondContact CG2-CD2 3.44Å; I204-H206 WeakPolarHBondContact CG2-NE2 3.23Å; I204-H206 PolarHBondContact O-N 3.2Å
207T47.7Very low72.2Confident124 Ų12483.5 Ų83.576%0.76143%0.425SS*.SBendtrans-119.6-22.5-170.750.10000115.7S205S205-T207 PolarHBondContact O-N 3.42Å
208D52.5Low72.3Confident94 Ų9479.5 Ų79.550%0.50341%0.41SS..  trans-120.494.4-174.9-68.3-24000111.1V210D208-V210 PolarHBondContact O-N 2.71Å
209E55.2Low72.4Confident193 Ų19374.5 Ų74.590%0.90239%0.388SS*.SBendtrans-64.3-12.7165.8-69.3-17616700112
210V57.4Low72.6Confident51 Ų5174.8 Ų74.831%0.30939%0.394SS..SBendtrans-108129.6-1761780000110.8I114 I128 D208I114-V210 HydrophobicContact CD1-CB 4.32Å; I114-V210 HydrophobicContact CD1-CG1 3.81Å; I114-V210 HydrophobicContact CG1-CG1 3.74Å; I128-V210 HydrophobicContact CD1-CG1 3.89Å; I128-V210 HydrophobicContact CG1-CG1 4.32Å; I128-V210 HydrophobicContact CG2-CG1 3.97Å; D208-V210 PolarHBondContact O-N 2.71Å
211C61.1Low72.9Confident10 Ų1078 Ų787%0.06841%0.407CS..SBendtrans67.237-177.9-55.60000114.6K110 L131 N132 N213K110-C211 HydrophobicContact CD-CB 3.89Å; K110-C211 HydrophobicContact CG-CB 3.99Å; L131-C211 HydrophobicContact CB-CB 4.13Å; L131-C211 WeakPolarHBondContact CB-SG 3.31Å; L131-C211 WeakPolarHBondContact CD1-SG 3.39Å; N132-C211 WeakPolarHBondContact OD1-CA 3.49Å; N132-C211 PolarHBondContact OD1-N 2.93Å; C211-N213 PolarHBondContact O-N 3.11Å
212N68.4Low73.2Confident62 Ų6275.4 Ų75.433%0.33239%0.388SS..  trans-82.6100.8172.1-175.5-3.5000109.9N132 N214N132-N212 PolarHBondContact OD1-N 3.42Å; N212-N214 WeakPolarHBondContact OD1-CB 3.32Å; N212-N214 PolarHBondContact OD1-N 3.06Å; N212-N214 PolarHBondContact OD1-ND2 3.06Å; N212-N214 PolarHBondContact OD1-OD1 3.42Å
213N75.4Confident73.6Confident23 Ų2371 Ų7112%0.12337%0.368CS..  trans-99.126.2177.865.8-25.6000112.8C211 E215 I219 C222C211-N213 PolarHBondContact O-N 3.11Å; N213-E215 VanDerWaalsContact C-N 3.32Å; N213-I219 WeakPolarHBondContact O-CG1 3.33Å; N213-C222 PolarHBondContact ND2-SG 3.19Å
214N80.1Confident74.4Confident26 Ų2670.4 Ų70.414%0.13937%0.374CS..  trans-87.8-1.4-175.5-49-19.5000112.8L200 R203 N212 I219L200-N214 WeakPolarHBondContact O-CB 3.36Å; L200-N214 VanDerWaalsContact O-CG 3.28Å; L200-N214 PolarHBondContact O-OD1 3.44Å; R203-N214 WeakPolarHBondContact CB-ND2 3.27Å; R203-N214 PolarHBondContact O-ND2 2.95Å; N212-N214 WeakPolarHBondContact OD1-CB 3.32Å; N212-N214 PolarHBondContact OD1-N 3.06Å; N212-N214 PolarHBondContact OD1-ND2 3.06Å; N212-N214 PolarHBondContact OD1-OD1 3.42Å; N214-I219 WeakPolarHBondContact O-CD1 3.25Å
215E85.9Confident76Confident126 Ų12665.5 Ų65.559%0.58935%0.349SS*.SBendtrans-67141.9169.4-67.8-172.4163.800110.6N213 D217 S218 I219N213-E215 VanDerWaalsContact C-N 3.32Å; E215-D217 VanDerWaalsContact C-N 3.33Å; E215-D217 PolarHBondContact O-N 3.06Å; E215-S218 WeakPolarHBondContact O-CA 3.21Å; E215-S218 WeakPolarHBondContact O-CB 3.5Å; E215-S218 PolarHBondContact O-N 3.31Å; E215-I219 WeakPolarHBondContact O-CG1 3.45Å; E215-I219 PolarHBondContact O-N 3.15Å
216P86.8Confident77.8Confident94 Ų9464.8 Ų64.861%0.6134%0.341SS*.Hα-helixtrans-49.2-48.2-176.8-29.435000114.1S218 I219 D220P216-S218 VanDerWaalsContact C-N 3.3Å; P216-S218 PolarHBondContact O-N 3.27Å; P216-I219 WeakPolarHBondContact O-CB 3.44Å; P216-I219 PolarHBondContact O-N 2.86Å; P216-D220 PolarHBondContact O-N 3.01Å
217D89.3Confident79.8Confident111 Ų11160.7 Ų60.759%0.59432%0.322SS*.Hα-helixtrans-64.4-34.5179.8-67-21.4000112.5E215 R221E215-D217 VanDerWaalsContact C-N 3.33Å; E215-D217 PolarHBondContact O-N 3.06Å; D217-R221 WeakPolarHBondContact O-CG 3.5Å; D217-R221 PolarHBondContact O-N 3.35Å; D217-R221 VanDerWaalsContact O-N 3.11Å; D217-R221 PolarHBondContact O-NE 3.44Å
218S90.2Very high81.7Confident0 Ų058.9 Ų58.90%031%0.307CS..Hα-helixtrans-73.4-37.4177.5-65.80000111.4N132 E215 P216 R221 C222N132-S218 WeakPolarHBondContact O-CB 3.33Å; N132-S218 PolarHBondContact O-OG 3.33Å; E215-S218 WeakPolarHBondContact O-CA 3.21Å; E215-S218 WeakPolarHBondContact O-CB 3.5Å; E215-S218 PolarHBondContact O-N 3.31Å; P216-S218 VanDerWaalsContact C-N 3.3Å; P216-S218 PolarHBondContact O-N 3.27Å; S218-R221 PolarHBondContact O-N 3.3Å; S218-R221 PolarHBondContact OG-NH2 3.24Å; S218-R221 VanDerWaalsContact OG-NH2 3.08Å; S218-C222 PolarHBondContact O-N 2.98Å; S218-C222 PolarHBondContact O-SG 3.37Å
219I90.9Very high83.7Confident6 Ų658.2 Ų58.23%0.03130%0.301CS..Hα-helixtrans-60-50.3171.9-66.5177.2000109.7R197 L200 N213 N214 E215 P216 R221 C222 L223R197-I219 HydrophobicContact CB-CG2 4.49Å; R197-I219 HydrophobicContact CG-CG2 4.14Å; L200-I219 HydrophobicContact CB-CD1 3.85Å; L200-I219 HydrophobicContact CB-CG1 3.89Å; L200-I219 HydrophobicContact CB-CG2 4.45Å; L200-I219 HydrophobicContact CD1-CB 4.38Å; L200-I219 HydrophobicContact CD1-CG1 4.19Å; L200-I219 HydrophobicContact CD1-CG2 3.86Å; N213-I219 WeakPolarHBondContact O-CG1 3.33Å; N214-I219 WeakPolarHBondContact O-CD1 3.25Å; E215-I219 WeakPolarHBondContact O-CG1 3.45Å; E215-I219 PolarHBondContact O-N 3.15Å; P216-I219 WeakPolarHBondContact O-CB 3.44Å; P216-I219 PolarHBondContact O-N 2.86Å; I219-R221 VanDerWaalsContact C-N 3.29Å; I219-R221 PolarHBondContact O-N 3.27Å; I219-C222 WeakPolarHBondContact O-CB 3.31Å; I219-C222 PolarHBondContact O-N 2.86Å; I219-C222 VanDerWaalsContact O-N 3.08Å; I219-L223 HydrophobicContact CG2-CD1 3.72Å; I219-L223 HydrophobicContact CG2-CG 4.3Å; I219-L223 WeakPolarHBondContact O-CG 3.34Å; I219-L223 PolarHBondContact O-N 2.79Å
220D91Very high85.6Confident69 Ų6949.1 Ų49.137%0.36926%0.259SS..Hα-helixtrans-59-40.2178.9-71.8-24.2000112.3R197 P216 S224R197-D220 IonicContact CZ-OD1 3.54Å; R197-D220 IonicContact NH1-OD1 3.27Å; R197-D220 PolarHBondContact NH1-OD1 3.17Å; R197-D220 IonicContact NH2-OD1 3.4Å; R197-D220 PolarHBondContact NH2-OD1 3.13Å; P216-D220 PolarHBondContact O-N 3.01Å; D220-S224 WeakPolarHBondContact O-CB 3.16Å; D220-S224 PolarHBondContact O-N 3.08Å
221R92.3Very high87.3Confident70 Ų7049.7 Ų49.726%0.26426%0.259SS..Hα-helixtrans-63.3-43.9174-81.2172.4-80.7166.63.7112.2N133 E135 D217 S218 I219 S224 I225N133-R221 VanDerWaalsContact CA-NH1 3.32Å; N133-R221 VanDerWaalsContact O-CD 3.3Å; N133-R221 WeakPolarHBondContact O-CD 3.45Å; N133-R221 PolarHBondContact O-NE 3.24Å; N133-R221 VanDerWaalsContact O-NE 3.1Å; N133-R221 PolarHBondContact O-NH1 3.5Å; E135-R221 IonicContact OE1-NH1 3.87Å; D217-R221 WeakPolarHBondContact O-CG 3.5Å; D217-R221 PolarHBondContact O-N 3.35Å; D217-R221 VanDerWaalsContact O-N 3.11Å; D217-R221 PolarHBondContact O-NE 3.44Å; S218-R221 PolarHBondContact O-N 3.3Å; S218-R221 PolarHBondContact OG-NH2 3.24Å; S218-R221 VanDerWaalsContact OG-NH2 3.08Å; I219-R221 VanDerWaalsContact C-N 3.29Å; I219-R221 PolarHBondContact O-N 3.27Å; R221-S224 PolarHBondContact O-N 2.87Å; R221-I225 WeakPolarHBondContact O-CD1 3.29Å; R221-I225 WeakPolarHBondContact O-CG1 3.36Å; R221-I225 PolarHBondContact O-N 3.48Å
222C92.2Very high88.7Confident16 Ų1651.9 Ų51.911%0.10827%0.269CS..Hα-helixtrans-62.6-45.8178.2-680000112.1P82 G134 N213 S218 I219 I225 F226P82-C222 HydrophobicContact CB-CB 4.28Å; P82-C222 HydrophobicContact CG-CB 4.04Å; G134-C222 WeakPolarHBondContact CA-SG 3.29Å; N213-C222 PolarHBondContact ND2-SG 3.19Å; S218-C222 PolarHBondContact O-N 2.98Å; S218-C222 PolarHBondContact O-SG 3.37Å; I219-C222 WeakPolarHBondContact O-CB 3.31Å; I219-C222 PolarHBondContact O-N 2.86Å; I219-C222 VanDerWaalsContact O-N 3.08Å; C222-I225 PolarHBondContact O-N 3.06Å; C222-F226 PolarHBondContact O-N 3.21Å
223L91.7Very high89.9Confident8 Ų848.9 Ų48.94%0.04225%0.253CS..Hα-helixtrans-63.6-44177.2-67.1171.7000110.7P82 E193 S196 R197 I219 I225 F226 K227P82-L223 HydrophobicContact CG-CD2 3.94Å; E193-L223 HydrophobicContact CG-CD1 3.85Å; E193-L223 HydrophobicContact CG-CD2 4.05Å; E193-L223 HydrophobicContact CG-CG 4.37Å; S196-L223 WeakPolarHBondContact OG-CD2 3.49Å; R197-L223 HydrophobicContact CB-CD1 4.19Å; R197-L223 VanDerWaalsContact CZ-CD1 3.41Å; I219-L223 HydrophobicContact CG2-CD1 3.72Å; I219-L223 HydrophobicContact CG2-CG 4.3Å; I219-L223 WeakPolarHBondContact O-CG 3.34Å; I219-L223 PolarHBondContact O-N 2.79Å; L223-I225 PolarHBondContact O-N 2.75Å; L223-F226 PolarHBondContact O-N 3.42Å; L223-F226 VanDerWaalsContact O-N 3.15Å; L223-K227 WeakPolarHBondContact O-CB 3.4Å; L223-K227 PolarHBondContact O-N 3.2Å
224S91.2Very high90.9Very high59 Ų5948 Ų4841%0.41325%0.249SC..Hα-helixtrans-60.7-41.8175.8-176.70000112.7D220 R221 N228D220-S224 WeakPolarHBondContact O-CB 3.16Å; D220-S224 PolarHBondContact O-N 3.08Å; R221-S224 PolarHBondContact O-N 2.87Å; S224-N228 WeakPolarHBondContact O-CB 3.47Å; S224-N228 PolarHBondContact O-N 3.12Å; S224-N228 PolarHBondContact O-ND2 3.41Å; S224-N228 PolarHBondContact OG-ND2 3.1Å; S224-N228 VanDerWaalsContact OG-ND2 3.15Å
225I93.2Very high91.3Very high24 Ų2450.8 Ų50.812%0.12326%0.259CS..Hα-helixtrans-62.5-45174.1-73.5157.3000110.5G134 L136 R221 C222 L223 Q229 T230G134-I225 WeakPolarHBondContact O-CD1 3.4Å; L136-I225 HydrophobicContact CD1-CG2 3.87Å; L136-I225 HydrophobicContact CD2-CG2 4.01Å; L136-I225 HydrophobicContact CG-CD1 4.04Å; L136-I225 HydrophobicContact CG-CG1 4.44Å; L136-I225 HydrophobicContact CG-CG2 3.94Å; R221-I225 WeakPolarHBondContact O-CD1 3.29Å; R221-I225 WeakPolarHBondContact O-CG1 3.36Å; R221-I225 PolarHBondContact O-N 3.48Å; C222-I225 PolarHBondContact O-N 3.06Å; L223-I225 PolarHBondContact O-N 2.75Å; I225-Q229 WeakPolarHBondContact O-CA 3.42Å; I225-Q229 VanDerWaalsContact O-CB 3.31Å; I225-Q229 WeakPolarHBondContact O-CB 3.5Å; I225-Q229 PolarHBondContact O-N 2.84Å; I225-T230 PolarHBondContact O-N 2.8Å
226F94.5Very high91.6Very high23 Ų2347 Ų4710%0.10124%0.243CC..Iπ-helixtrans-60.8-53.1179.4-174.2-98.7000111.4I79 S80 G81 L188 C222 L223 N228 T230 L231I79-F226 HydrophobicContact CG2-CE2 4.48Å; S80-F226 WeakPolarHBondContact O-CE2 3.46Å; G81-F226 VanDerWaalsContact CA-CE2 3.48Å; G81-F226 VanDerWaalsContact N-CE2 3.27Å; L188-F226 HydrophobicContact CD1-CE2 4.34Å; L188-F226 HydrophobicContact CD1-CZ 4.02Å; C222-F226 PolarHBondContact O-N 3.21Å; L223-F226 PolarHBondContact O-N 3.42Å; L223-F226 VanDerWaalsContact O-N 3.15Å; F226-N228 PolarHBondContact O-N 2.98Å; F226-T230 HydrophobicContact CD2-CG2 3.72Å; F226-T230 HydrophobicContact CE2-CG2 3.75Å; F226-T230 WeakPolarHBondContact O-CB 3.36Å; F226-T230 PolarHBondContact O-N 2.8Å; F226-T230 VanDerWaalsContact O-N 3.16Å; F226-L231 HydrophobicContact CD1-CG 4.36Å; F226-L231 HydrophobicContact CE1-CD2 3.82Å; F226-L231 HydrophobicContact CE1-CG 4.13Å; F226-L231 HydrophobicContact CZ-CD2 3.98Å; F226-L231 PolarHBondContact O-N 2.76Å
227K88.3Confident92Very high86 Ų8642.5 Ų42.537%0.37421%0.214SC..Iπ-helixtrans-61-45.7-178.9-166.4168-166.7155.90112.7E193 L223E193-K227 IonicContact OE2-NZ 3.4Å; E193-K227 PolarHBondContact OE2-NZ 3.34Å; L223-K227 WeakPolarHBondContact O-CB 3.4Å; L223-K227 PolarHBondContact O-N 3.2Å
228N88.6Confident92.1Very high85 Ų8539 Ų3946%0.45520%0.195SC..Iπ-helixtrans-95.4-20.3-169.8-62.2-52.4000114.7S224 F226 Q232S224-N228 WeakPolarHBondContact O-CB 3.47Å; S224-N228 PolarHBondContact O-N 3.12Å; S224-N228 PolarHBondContact O-ND2 3.41Å; S224-N228 PolarHBondContact OG-ND2 3.1Å; S224-N228 VanDerWaalsContact OG-ND2 3.15Å; F226-N228 PolarHBondContact O-N 2.98Å; N228-Q232 VanDerWaalsContact O-CG 3.28Å; N228-Q232 WeakPolarHBondContact O-CG 3.48Å
229Q94Very high91.9Very high81 Ų8143.5 Ų43.538%0.37922%0.219SC..Iπ-helixtrans-122.8-49-176.8-55.7-177.73900112.1K166 T167 I225 Q232 A233K166-Q229 CarbonylContact O-C 3.54Å; T167-Q229 HydrophobicContact CG2-CB 4.25Å; T167-Q229 VanDerWaalsContact CG2-OE1 3.26Å; I225-Q229 WeakPolarHBondContact O-CA 3.42Å; I225-Q229 VanDerWaalsContact O-CB 3.31Å; I225-Q229 WeakPolarHBondContact O-CB 3.5Å; I225-Q229 PolarHBondContact O-N 2.84Å; Q229-Q232 PolarHBondContact O-N 3.01Å; Q229-A233 PolarHBondContact O-N 3.42Å
230T96Very high91.9Very high2 Ų245.8 Ų45.81%0.01223%0.231CC..Iπ-helixtrans-66.9-46.9-177.7-52.80000111.4I79 K166 I225 F226 Q232 A233 C234I79-T230 HydrophobicContact CG2-CG2 3.44Å; I79-T230 VanDerWaalsContact CG2-CG2 3.44Å; K166-T230 VanDerWaalsContact O-CA 3.29Å; K166-T230 WeakPolarHBondContact O-CA 3.28Å; K166-T230 PolarHBondContact O-N 2.81Å; K166-T230 PolarHBondContact O-OG1 3.24Å; I225-T230 PolarHBondContact O-N 2.8Å; F226-T230 HydrophobicContact CD2-CG2 3.72Å; F226-T230 HydrophobicContact CE2-CG2 3.75Å; F226-T230 WeakPolarHBondContact O-CB 3.36Å; F226-T230 PolarHBondContact O-N 2.8Å; F226-T230 VanDerWaalsContact O-N 3.16Å; T230-Q232 PolarHBondContact O-N 3.46Å; T230-A233 CarbonylContact O-C 3.58Å; T230-A233 WeakPolarHBondContact O-CA 3.2Å; T230-A233 WeakPolarHBondContact O-CB 3.19Å; T230-A233 PolarHBondContact O-N 2.84Å; T230-C234 PolarHBondContact O-N 2.9Å; T230-C234 PolarHBondContact O-SG 3.1Å; T230-C234 VanDerWaalsContact O-SG 3.33Å
231L92.1Very high91.9Very high62 Ų6248.1 Ų48.133%0.32524%0.24SC..Hα-helixtrans-62.7-29.5177.4-67.1-177.9000112.7F226 C234 K235F226-L231 HydrophobicContact CD1-CG 4.36Å; F226-L231 HydrophobicContact CE1-CD2 3.82Å; F226-L231 HydrophobicContact CE1-CG 4.13Å; F226-L231 HydrophobicContact CZ-CD2 3.98Å; F226-L231 PolarHBondContact O-N 2.76Å; L231-C234 WeakPolarHBondContact O-CB 3.4Å; L231-C234 PolarHBondContact O-N 3.37Å; L231-K235 PolarHBondContact O-N 3.4Å
232Q89.9Confident91.9Very high56 Ų5646.2 Ų46.226%0.26223%0.234SC..Hα-helixtrans-71.3-38.9173.3-56.1-57.6-80.800111.5E168 N228 Q229 T230 C234 K235 L236E168-Q232 HydrophobicContact CG-CB 4.21Å; N228-Q232 VanDerWaalsContact O-CG 3.28Å; N228-Q232 WeakPolarHBondContact O-CG 3.48Å; Q229-Q232 PolarHBondContact O-N 3.01Å; T230-Q232 PolarHBondContact O-N 3.46Å; Q232-C234 VanDerWaalsContact C-N 3.31Å; Q232-C234 PolarHBondContact O-N 2.87Å; Q232-K235 WeakPolarHBondContact O-CB 3.38Å; Q232-K235 PolarHBondContact O-N 3.5Å; Q232-L236 PolarHBondContact O-N 3.29Å
233A95.4Very high92Very high0 Ų046.1 Ų46.10%023%0.232CC..Hα-helixtrans-61.4-41.1170.100000111.3Q229 T230 K235 L236 I237Q229-A233 PolarHBondContact O-N 3.42Å; T230-A233 CarbonylContact O-C 3.58Å; T230-A233 WeakPolarHBondContact O-CA 3.2Å; T230-A233 WeakPolarHBondContact O-CB 3.19Å; T230-A233 PolarHBondContact O-N 2.84Å; A233-K235 VanDerWaalsContact C-N 3.3Å; A233-K235 PolarHBondContact O-N 2.83Å; A233-L236 PolarHBondContact O-N 3.22Å; A233-I237 WeakPolarHBondContact O-CD1 3.28Å; A233-I237 VanDerWaalsContact O-CG1 3.23Å; A233-I237 WeakPolarHBondContact O-CG1 3.31Å; A233-I237 PolarHBondContact O-N 3.02Å
234C94.8Very high92.1Very high5 Ų548.6 Ų48.63%0.03424%0.241CC..Hα-helixtrans-59.1-39.7173.5-64.90000112.1T230 L231 Q232 L236 I237 D238 L243T230-C234 PolarHBondContact O-N 2.9Å; T230-C234 PolarHBondContact O-SG 3.1Å; T230-C234 VanDerWaalsContact O-SG 3.33Å; L231-C234 WeakPolarHBondContact O-CB 3.4Å; L231-C234 PolarHBondContact O-N 3.37Å; Q232-C234 VanDerWaalsContact C-N 3.31Å; Q232-C234 PolarHBondContact O-N 2.87Å; C234-L236 PolarHBondContact O-N 3.34Å; C234-I237 WeakPolarHBondContact O-CB 3.33Å; C234-I237 PolarHBondContact O-N 2.9Å; C234-I237 VanDerWaalsContact O-N 3.12Å; C234-D238 PolarHBondContact O-N 3Å; C234-L243 HydrophobicContact CB-CD1 4.19Å; C234-L243 HydrophobicContact CB-CD2 4.04Å
235K88.6Confident92.1Very high83 Ų8346.7 Ų46.736%0.36123%0.227SC..Hα-helixtrans-57.4-49.6174.1-174.2170.6-176160.50111.6L231 Q232 A233 I237 D238 D239 D498L231-K235 PolarHBondContact O-N 3.4Å; Q232-K235 WeakPolarHBondContact O-CB 3.38Å; Q232-K235 PolarHBondContact O-N 3.5Å; A233-K235 VanDerWaalsContact C-N 3.3Å; A233-K235 PolarHBondContact O-N 2.83Å; K235-I237 PolarHBondContact O-N 3.41Å; K235-D238 PolarHBondContact O-N 2.64Å; K235-D238 VanDerWaalsContact O-N 3.1Å; K235-D239 VanDerWaalsContact O-CG 3.25Å; K235-D239 PolarHBondContact O-N 3.37Å; K235-D498 WeakPolarHBondContact CE-OD2 3.49Å; K235-D498 IonicContact NZ-OD1 3.06Å; K235-D498 PolarHBondContact NZ-OD1 3.22Å; K235-D498 IonicContact NZ-OD2 3.46Å; K235-D498 PolarHBondContact NZ-OD2 3.42Å
236L92.7Very high91.9Very high47 Ų4745.6 Ų45.625%0.24622%0.221CC..Hα-helixtrans-60-33.8176-63-179.1000112.9E168 Y171 Q232 A233 C234 D240E168-L236 HydrophobicContact CB-CD1 3.7Å; E168-L236 HydrophobicContact CG-CD1 3.68Å; E168-L236 HydrophobicContact CG-CG 4.47Å; Y171-L236 HydrophobicContact CD1-CB 3.72Å; Y171-L236 HydrophobicContact CD1-CD1 4.47Å; Y171-L236 HydrophobicContact CE1-CB 3.95Å; Q232-L236 PolarHBondContact O-N 3.29Å; A233-L236 PolarHBondContact O-N 3.22Å; C234-L236 PolarHBondContact O-N 3.34Å; L236-D240 PolarHBondContact O-N 3.03Å; L236-D240 VanDerWaalsContact O-OD2 3.08Å
237I95.1Very high91.4Very high0 Ų047.9 Ų47.90%023%0.234CC..Hα-helixtrans-72.2-36.5177.4-61.4159.2000111.5I79 P165 Y171 A186 A233 C234 K235 D240 E241 K242 L243I79-I237 HydrophobicContact CD1-CD1 3.61Å; P165-I237 HydrophobicContact CG-CD1 3.86Å; Y171-I237 HydrophobicContact CD1-CG1 3.81Å; Y171-I237 HydrophobicContact CD2-CD1 4.16Å; Y171-I237 HydrophobicContact CD2-CG1 3.65Å; Y171-I237 HydrophobicContact CE1-CB 4.22Å; Y171-I237 HydrophobicContact CE1-CG1 3.56Å; Y171-I237 HydrophobicContact CE2-CB 4.46Å; Y171-I237 HydrophobicContact CE2-CD1 4.29Å; Y171-I237 HydrophobicContact CE2-CG1 3.45Å; Y171-I237 VanDerWaalsContact CE2-CG1 3.45Å; Y171-I237 HydrophobicContact CG-CD1 4.43Å; Y171-I237 HydrophobicContact CG-CG1 3.84Å; A186-I237 HydrophobicContact CB-CD1 4.11Å; A186-I237 HydrophobicContact CB-CG2 3.88Å; A233-I237 WeakPolarHBondContact O-CD1 3.28Å; A233-I237 VanDerWaalsContact O-CG1 3.23Å; A233-I237 WeakPolarHBondContact O-CG1 3.31Å; A233-I237 PolarHBondContact O-N 3.02Å; C234-I237 WeakPolarHBondContact O-CB 3.33Å; C234-I237 PolarHBondContact O-N 2.9Å; C234-I237 VanDerWaalsContact O-N 3.12Å; K235-I237 PolarHBondContact O-N 3.41Å; I237-D240 PolarHBondContact O-N 2.97Å; I237-E241 PolarHBondContact O-N 3.17Å; I237-K242 HydrophobicContact CG2-CB 3.88Å; I237-K242 PolarHBondContact O-N 3.44Å; I237-L243 HydrophobicContact CB-CB 4.4Å; I237-L243 HydrophobicContact CB-CD1 4.35Å; I237-L243 HydrophobicContact CG2-CB 3.98Å; I237-L243 HydrophobicContact CG2-CD1 4.15Å; I237-L243 PolarHBondContact O-N 3.44Å
238D90.6Very high91.3Very high37 Ų3743.9 Ų43.920%0.19822%0.217CC..Hα-helixtrans-69.7-37.2175.1-172.351.8000111.4C234 K235 D240 E241 L243 R495C234-D238 PolarHBondContact O-N 3Å; K235-D238 PolarHBondContact O-N 2.64Å; K235-D238 VanDerWaalsContact O-N 3.1Å; D238-D240 PolarHBondContact O-N 2.73Å; D238-E241 WeakPolarHBondContact O-CA 3.31Å; D238-E241 PolarHBondContact O-N 3.31Å; D238-L243 HydrophobicContact CB-CB 3.86Å; D238-L243 HydrophobicContact CB-CD2 3.93Å; D238-R495 VanDerWaalsContact CG-NH2 3.32Å; D238-R495 IonicContact OD1-CZ 3.8Å; D238-R495 IonicContact OD1-NH1 2.64Å; D238-R495 PolarHBondContact OD1-NH1 3.42Å; D238-R495 IonicContact OD1-NH2 2.68Å; D238-R495 PolarHBondContact OD1-NH2 3.22Å; D238-R495 VanDerWaalsContact OD1-NH2 3.08Å; D238-R495 IonicContact OD2-CZ 2.73Å; D238-R495 IonicContact OD2-NH1 2.65Å; D238-R495 IonicContact OD2-NH2 2.64Å; D238-R495 PolarHBondContact OD2-NH2 3.29Å
239D87.4Confident91.2Very high94 Ų9443.8 Ų43.850%0.50321%0.214SC..Hα-helixtrans-59.4-32.8173.5-66.3-25.9000111.9K235 E241K235-D239 VanDerWaalsContact O-CG 3.25Å; K235-D239 PolarHBondContact O-N 3.37Å; D239-E241 VanDerWaalsContact C-N 3.27Å; D239-E241 PolarHBondContact O-N 3.43Å
240D91.2Very high90.7Very high54 Ų5441.4 Ų41.429%0.28920%0.203SC..THydrogen-bonded Turntrans-857.5172.3-60.9-58.5000113.7Y171 K175 M180 L236 I237 D238 K242Y171-D240 VanDerWaalsContact CE1-OD2 3.24Å; Y171-D240 WeakPolarHBondContact CE1-OD2 3.19Å; Y171-D240 PolarHBondContact OH-OD2 3.29Å; K175-D240 WeakPolarHBondContact CE-OD2 3.29Å; K175-D240 IonicContact NZ-OD1 2.77Å; K175-D240 PolarHBondContact NZ-OD1 3.07Å; K175-D240 IonicContact NZ-OD2 3.66Å; K175-D240 PolarHBondContact NZ-OD2 3.18Å; M180-D240 HydrophobicContact CE-CB 3.63Å; M180-D240 VanDerWaalsContact CE-CG 3.5Å; L236-D240 PolarHBondContact O-N 3.03Å; L236-D240 VanDerWaalsContact O-OD2 3.08Å; I237-D240 PolarHBondContact O-N 2.97Å; D238-D240 PolarHBondContact O-N 2.73Å; D240-K242 PolarHBondContact O-N 2.91Å
241E89.5Confident90.2Very high118 Ų11845.3 Ų45.355%0.55122%0.224SC*.THydrogen-bonded Turntrans61.423.6-179.3-53.7-173.915700114.5I237 D238 D239 R244 R309I237-E241 PolarHBondContact O-N 3.17Å; D238-E241 WeakPolarHBondContact O-CA 3.31Å; D238-E241 PolarHBondContact O-N 3.31Å; D239-E241 VanDerWaalsContact C-N 3.27Å; D239-E241 PolarHBondContact O-N 3.43Å; E241-R244 PolarHBondContact O-NH1 2.88Å; E241-R244 PolarHBondContact O-NH2 3.2Å; E241-R309 IonicContact OE1-NH1 3.2Å; E241-R309 PolarHBondContact OE1-NH1 2.81Å
242K93.3Very high89.9Confident31 Ų3144.7 Ų44.714%0.13523%0.225CC..  trans-105.9-6.1-175.6-74.6-175.7-176-171.90114.6M180 L183 C185 A186 I237 D240M180-K242 HydrophobicContact CE-CD 3.8Å; M180-K242 PolarHBondContact O-NZ 2.93Å; M180-K242 HydrophobicContact SD-CD 4.42Å; M180-K242 PolarHBondContact SD-NZ 2.7Å; M180-K242 VanDerWaalsContact SD-NZ 3.42Å; L183-K242 HydrophobicContact CD2-CD 4.3Å; L183-K242 HydrophobicContact CG-CD 4.29Å; L183-K242 WeakPolarHBondContact O-CD 2.95Å; L183-K242 VanDerWaalsContact O-CE 3.26Å; L183-K242 WeakPolarHBondContact O-CE 3.45Å; L183-K242 PolarHBondContact O-NZ 3.22Å; C185-K242 CarbonylContact C-O 3.6Å; C185-K242 WeakPolarHBondContact CA-O 3.4Å; C185-K242 VanDerWaalsContact CB-O 3.27Å; C185-K242 WeakPolarHBondContact CB-O 3.37Å; A186-K242 PolarHBondContact N-O 3.12Å; I237-K242 HydrophobicContact CG2-CB 3.88Å; I237-K242 PolarHBondContact O-N 3.44Å; D240-K242 PolarHBondContact O-N 2.91Å
243L94.3Very high89.8Confident13 Ų1347 Ų477%0.06824%0.239CC..EExtended strand (participates in β ladder)trans-79.7134.5178.2-166.768.7000110A186 L188 C234 I237 D238 V245A186-L243 CarbonylContact O-C 3.6Å; A186-L243 WeakPolarHBondContact O-CA 3.41Å; L188-L243 HydrophobicContact CB-CD1 4.04Å; C234-L243 HydrophobicContact CB-CD1 4.19Å; C234-L243 HydrophobicContact CB-CD2 4.04Å; I237-L243 HydrophobicContact CB-CB 4.4Å; I237-L243 HydrophobicContact CB-CD1 4.35Å; I237-L243 HydrophobicContact CG2-CB 3.98Å; I237-L243 HydrophobicContact CG2-CD1 4.15Å; I237-L243 PolarHBondContact O-N 3.44Å; D238-L243 HydrophobicContact CB-CB 3.86Å; D238-L243 HydrophobicContact CB-CD2 3.93Å; L243-V245 HydrophobicContact CD2-CG2 4.13Å; L243-V245 HydrophobicContact CG-CG2 4.26Å
244R92.8Very high89.5Confident61 Ų6149.6 Ų49.623%0.2325%0.251CS..EExtended strand (participates in β ladder)trans-125.8129.5169.1-61.3-62.3178-81.3-0.3107.1C185 A186 I187 L188 E241 V262 I304C185-R244 HydrophobicContact CB-CG 4.27Å; A186-R244 PolarHBondContact O-N 2.65Å; I187-R244 CarbonylContact C-O 3.51Å; I187-R244 VanDerWaalsContact CA-O 3.27Å; I187-R244 WeakPolarHBondContact CA-O 3.23Å; L188-R244 PolarHBondContact N-O 3.18Å; E241-R244 PolarHBondContact O-NH1 2.88Å; E241-R244 PolarHBondContact O-NH2 3.2Å; R244-V262 HydrophobicContact CB-CG1 4.26Å; R244-V262 HydrophobicContact CB-CG2 4.4Å; R244-V262 HydrophobicContact CG-CG1 4Å; R244-I304 HydrophobicContact CB-CG2 3.98Å
245V91.1Very high89.2Confident19 Ų1949.7 Ų49.712%0.11525%0.251CS..EExtended strand (participates in β ladder)trans-108135-177.6-172.40000108.6L188 D190 L243 I304 S305L188-V245 HydrophobicContact CB-CG2 4.38Å; L188-V245 HydrophobicContact CD2-CG1 4.47Å; L188-V245 HydrophobicContact CD2-CG2 4.33Å; L188-V245 WeakPolarHBondContact O-CA 3.24Å; D190-V245 HydrophobicContact CB-CG1 3.72Å; L243-V245 HydrophobicContact CD2-CG2 4.13Å; L243-V245 HydrophobicContact CG-CG2 4.26Å; V245-I304 CarbonylContact O-C 3.58Å; V245-I304 WeakPolarHBondContact O-CG2 3.41Å; V245-S305 WeakPolarHBondContact CB-O 3.34Å; V245-S305 PolarHBondContact O-N 2.87Å; V245-S305 PolarHBondContact O-OG 2.97Å; V245-S305 VanDerWaalsContact O-OG 3.11Å
246I89.6Confident89.3Confident1 Ų146.6 Ų46.61%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-127.8138.5176.2-63.6176.4000106.7I187 L188 L189 D190 G248 D258 I259 V262I187-I246 HydrophobicContact CG2-CD1 3.5Å; I187-I246 VanDerWaalsContact CG2-CD1 3.5Å; I187-I246 HydrophobicContact CG2-CG1 4.02Å; L188-I246 PolarHBondContact O-N 2.76Å; L189-I246 WeakPolarHBondContact CA-O 2.87Å; L189-I246 HydrophobicContact CD2-CB 4.02Å; L189-I246 HydrophobicContact CD2-CG2 4.22Å; D190-I246 PolarHBondContact N-O 2.83Å; I246-G248 PolarHBondContact O-N 2.69Å; I246-G248 VanDerWaalsContact O-N 3.13Å; I246-D258 HydrophobicContact CD1-CB 3.81Å; I246-D258 HydrophobicContact CG1-CB 4.15Å; I246-D258 HydrophobicContact CG2-CB 3.79Å; I246-I259 HydrophobicContact CD1-CB 4.39Å; I246-I259 HydrophobicContact CD1-CG1 3.68Å; I246-V262 HydrophobicContact CD1-CG2 4.28Å
247D83.9Confident89.2Confident71 Ų7150.6 Ų50.638%0.3826%0.256SS..EExtended strand (participates in β ladder)trans-65111.1172.3-179.2-7000109.6E249 L250D247-E249 VanDerWaalsContact C-N 3.33Å; D247-E249 PolarHBondContact OD1-N 3.21Å; D247-L250 HydrophobicContact CB-CD1 3.9Å; D247-L250 HydrophobicContact CB-CD2 4.5Å; D247-L250 HydrophobicContact CB-CG 3.85Å; D247-L250 WeakPolarHBondContact O-CG 3.34Å
248G87.1Confident89Confident1 Ų151.5 Ų51.51%0.0126%0.261CS..THydrogen-bonded Turntrans-85.5-0.9-177.700000114.2D190 I191 I246 I255D190-G248 WeakPolarHBondContact O-CA 3.49Å; D190-G248 PolarHBondContact O-N 2.86Å; I191-G248 VanDerWaalsContact CG2-C 3.44Å; I191-G248 WeakPolarHBondContact CG2-O 3.45Å; I246-G248 PolarHBondContact O-N 2.69Å; I246-G248 VanDerWaalsContact O-N 3.13Å; G248-I255 WeakPolarHBondContact O-CD1 3.4Å
249E85.6Confident89.1Confident83 Ų8349.7 Ų49.739%0.38825%0.251SS..THydrogen-bonded Turntrans-94.4-4175.9-59.7-165.7-177.600113.1I191 S192 Y195 D247I191-E249 HydrophobicContact CB-CG 4.21Å; I191-E249 HydrophobicContact CG2-CG 3.97Å; S192-E249 WeakPolarHBondContact CA-OE1 3.45Å; S192-E249 WeakPolarHBondContact CB-OE1 2.99Å; S192-E249 PolarHBondContact N-OE1 3.41Å; S192-E249 PolarHBondContact OG-OE1 2.94Å; Y195-E249 WeakPolarHBondContact CB-OE1 3.14Å; Y195-E249 HydrophobicContact CD1-CG 4.38Å; Y195-E249 HydrophobicContact CD2-CB 4.47Å; Y195-E249 HydrophobicContact CD2-CG 4.02Å; Y195-E249 HydrophobicContact CE2-CG 4.44Å; Y195-E249 HydrophobicContact CG-CG 4Å; D247-E249 VanDerWaalsContact C-N 3.33Å; D247-E249 PolarHBondContact OD1-N 3.21Å
250L84.7Confident89.3Confident31 Ų3146.2 Ų46.216%0.16223%0.232CC..SBendtrans-63.9169.9173.1-60.3176.9000112.2D247 E254 I255D247-L250 HydrophobicContact CB-CD1 3.9Å; D247-L250 HydrophobicContact CB-CD2 4.5Å; D247-L250 HydrophobicContact CB-CG 3.85Å; D247-L250 WeakPolarHBondContact O-CG 3.34Å; L250-E254 HydrophobicContact CB-CB 4.07Å; L250-E254 HydrophobicContact CD1-CB 4.21Å; L250-I255 HydrophobicContact CB-CD1 4.41Å; L250-I255 HydrophobicContact CB-CG1 3.77Å; L250-I255 WeakPolarHBondContact O-CD1 3.46Å
251N85.5Confident89.3Confident84 Ų8446.4 Ų46.445%0.44923%0.231SC..  trans-69.8153.4172.378.162000110.8N253 E254 I255N251-N253 PolarHBondContact O-N 3.25Å; N251-N253 VanDerWaalsContact O-N 3.09Å; N251-N253 WeakPolarHBondContact OD1-CB 3.27Å; N251-N253 PolarHBondContact OD1-N 3.01Å; N251-N253 VanDerWaalsContact OD1-N 3.11Å; N251-E254 WeakPolarHBondContact ND2-CG 2.99Å; N251-E254 PolarHBondContact ND2-OE2 3.26Å; N251-E254 PolarHBondContact O-N 3.08Å; N251-E254 PolarHBondContact OD1-N 3.39Å; N251-E254 VanDerWaalsContact OD1-N 3.08Å; N251-I255 PolarHBondContact O-N 3.29Å
252C85.5Confident89.4Confident49 Ų4940.9 Ų40.933%0.33121%0.206SC..Hα-helixtrans-58-31.2-172-59.60000114.4I88 L256I88-C252 HydrophobicContact CG2-CB 4.48Å; C252-L256 VanDerWaalsContact O-CB 3.28Å; C252-L256 WeakPolarHBondContact O-CB 3.4Å; C252-L256 PolarHBondContact O-N 3.42Å
253N87.5Confident89.3Confident106 Ų10639.4 Ų39.457%0.56720%0.199SC*.Hα-helixtrans-71.7-41178.9-65.2-20.2000111N251 L256 E257N251-N253 PolarHBondContact O-N 3.25Å; N251-N253 VanDerWaalsContact O-N 3.09Å; N251-N253 WeakPolarHBondContact OD1-CB 3.27Å; N251-N253 PolarHBondContact OD1-N 3.01Å; N251-N253 VanDerWaalsContact OD1-N 3.11Å; N253-L256 PolarHBondContact O-N 2.56Å; N253-E257 WeakPolarHBondContact O-CG 3.24Å; N253-E257 PolarHBondContact O-N 3.21Å
254E87.9Confident89.2Confident54 Ų5442.5 Ų42.525%0.25222%0.216SC..Hα-helixtrans-65.6-44.3176-69-179.7116.800111.7L250 N251 L256 E257 D258 R301L250-E254 HydrophobicContact CB-CB 4.07Å; L250-E254 HydrophobicContact CD1-CB 4.21Å; N251-E254 WeakPolarHBondContact ND2-CG 2.99Å; N251-E254 PolarHBondContact ND2-OE2 3.26Å; N251-E254 PolarHBondContact O-N 3.08Å; N251-E254 PolarHBondContact OD1-N 3.39Å; N251-E254 VanDerWaalsContact OD1-N 3.08Å; E254-L256 VanDerWaalsContact C-N 3.26Å; E254-L256 PolarHBondContact O-N 2.83Å; E254-E257 PolarHBondContact O-N 3.42Å; E254-D258 PolarHBondContact O-N 3.02Å; E254-R301 IonicContact OE1-CZ 3.17Å; E254-R301 IonicContact OE1-NH1 3.47Å; E254-R301 PolarHBondContact OE1-NH1 2.93Å; E254-R301 IonicContact OE1-NH2 3.5Å
255I89.1Confident89Confident6 Ų644.8 Ų44.83%0.03123%0.229CC..Hα-helixtrans-57.8-44.1175-61.5175.8000110I89 L189 G248 L250 N251 D258 I259I89-I255 HydrophobicContact CD1-CG2 3.83Å; L189-I255 HydrophobicContact CD1-CG2 4.5Å; L189-I255 HydrophobicContact CD2-CG2 4.04Å; G248-I255 WeakPolarHBondContact O-CD1 3.4Å; L250-I255 HydrophobicContact CB-CD1 4.41Å; L250-I255 HydrophobicContact CB-CG1 3.77Å; L250-I255 WeakPolarHBondContact O-CD1 3.46Å; N251-I255 PolarHBondContact O-N 3.29Å; I255-D258 PolarHBondContact O-N 2.87Å; I255-I259 HydrophobicContact CG2-CD1 3.76Å; I255-I259 HydrophobicContact CG2-CG1 4.35Å; I255-I259 VanDerWaalsContact O-CG1 3.23Å; I255-I259 WeakPolarHBondContact O-CG1 3.33Å; I255-I259 PolarHBondContact O-N 3.15Å
256L90.8Very high88.8Confident18 Ų1844.8 Ų44.89%0.09423%0.228CC..Hα-helixtrans-63.4-45.5178.2176.766.8000111.8I89 E92 L93 C252 N253 E254 D258 I259 L260I89-L256 HydrophobicContact CG2-CD1 4.49Å; E92-L256 HydrophobicContact CB-CD1 3.79Å; E92-L256 HydrophobicContact CB-CD2 3.52Å; E92-L256 HydrophobicContact CB-CG 4.31Å; E92-L256 HydrophobicContact CG-CD2 3.63Å; L93-L256 HydrophobicContact CD2-CD1 4.44Å; L93-L256 HydrophobicContact CG-CD1 4.42Å; C252-L256 VanDerWaalsContact O-CB 3.28Å; C252-L256 WeakPolarHBondContact O-CB 3.4Å; C252-L256 PolarHBondContact O-N 3.42Å; N253-L256 PolarHBondContact O-N 2.56Å; E254-L256 VanDerWaalsContact C-N 3.26Å; E254-L256 PolarHBondContact O-N 2.83Å; L256-D258 VanDerWaalsContact C-N 3.31Å; L256-D258 PolarHBondContact O-N 3.37Å; L256-I259 PolarHBondContact O-N 3.46Å; L256-L260 HydrophobicContact CD1-CD1 4.14Å; L256-L260 HydrophobicContact CD1-CG 4.08Å; L256-L260 HydrophobicContact CG-CD1 3.94Å; L256-L260 HydrophobicContact CG-CG 4.3Å; L256-L260 WeakPolarHBondContact O-CB 3.44Å; L256-L260 VanDerWaalsContact O-CG 3.27Å; L256-L260 WeakPolarHBondContact O-CG 3.41Å; L256-L260 PolarHBondContact O-N 3Å
257E90.8Very high88.8Confident131 Ų13146.2 Ų46.261%0.61224%0.236SC*.Hα-helixtrans-56.4-45.4176.3-76.8177.1-171.600111.4N253 E254 L260 E261N253-E257 WeakPolarHBondContact O-CG 3.24Å; N253-E257 PolarHBondContact O-N 3.21Å; E254-E257 PolarHBondContact O-N 3.42Å; E257-L260 PolarHBondContact O-N 3.2Å; E257-E261 PolarHBondContact O-N 3.4Å
258D90.4Very high88.6Confident19 Ų1945.8 Ų45.810%0.10224%0.238CC..Hα-helixtrans-66.8-40.1178-72-14.3000112I246 E254 I255 L256 E261 V262I246-D258 HydrophobicContact CD1-CB 3.81Å; I246-D258 HydrophobicContact CG1-CB 4.15Å; I246-D258 HydrophobicContact CG2-CB 3.79Å; E254-D258 PolarHBondContact O-N 3.02Å; I255-D258 PolarHBondContact O-N 2.87Å; L256-D258 VanDerWaalsContact C-N 3.31Å; L256-D258 PolarHBondContact O-N 3.37Å; D258-E261 PolarHBondContact O-N 3.13Å; D258-V262 WeakPolarHBondContact O-CG2 3.46Å; D258-V262 PolarHBondContact O-N 3.44Å; D258-V262 VanDerWaalsContact O-N 3.11Å
259I92.1Very high87.3Confident0 Ų050.6 Ų50.60%026%0.263CS..Hα-helixtrans-64.1-43.3175.8-68.7168.3000110.5I78 I89 L93 I187 L189 I246 I255 L256 V262 C263I78-I259 HydrophobicContact CD1-CG2 4.45Å; I89-I259 HydrophobicContact CD1-CD1 4.3Å; I89-I259 HydrophobicContact CG2-CD1 3.77Å; L93-I259 HydrophobicContact CD1-CG2 4.32Å; L93-I259 HydrophobicContact CD2-CG2 3.8Å; I187-I259 HydrophobicContact CD1-CG2 4.06Å; I187-I259 HydrophobicContact CG2-CG1 4.48Å; L189-I259 HydrophobicContact CD2-CD1 4.16Å; L189-I259 HydrophobicContact CD2-CG1 4.38Å; I246-I259 HydrophobicContact CD1-CB 4.39Å; I246-I259 HydrophobicContact CD1-CG1 3.68Å; I255-I259 HydrophobicContact CG2-CD1 3.76Å; I255-I259 HydrophobicContact CG2-CG1 4.35Å; I255-I259 VanDerWaalsContact O-CG1 3.23Å; I255-I259 WeakPolarHBondContact O-CG1 3.33Å; I255-I259 PolarHBondContact O-N 3.15Å; L256-I259 PolarHBondContact O-N 3.46Å; I259-V262 PolarHBondContact O-N 2.93Å; I259-C263 WeakPolarHBondContact O-CB 3.39Å; I259-C263 PolarHBondContact O-N 2.72Å; I259-C263 PolarHBondContact O-SG 2.89Å
260L93Very high85.6Confident20 Ų2050.1 Ų50.111%0.10526%0.263CS..Hα-helixtrans-63.9-41.6178.6-72.6174.4000110.9L93 H96 Y97 L256 E257 V262 C263 D264L93-L260 HydrophobicContact CD2-CD2 3.95Å; H96-L260 HydrophobicContact CB-CD2 3.81Å; Y97-L260 HydrophobicContact CE2-CD2 3.79Å; Y97-L260 PolarHBondContact OH-O 3.42Å; L256-L260 HydrophobicContact CD1-CD1 4.14Å; L256-L260 HydrophobicContact CD1-CG 4.08Å; L256-L260 HydrophobicContact CG-CD1 3.94Å; L256-L260 HydrophobicContact CG-CG 4.3Å; L256-L260 WeakPolarHBondContact O-CB 3.44Å; L256-L260 VanDerWaalsContact O-CG 3.27Å; L256-L260 WeakPolarHBondContact O-CG 3.41Å; L256-L260 PolarHBondContact O-N 3Å; E257-L260 PolarHBondContact O-N 3.2Å; L260-V262 VanDerWaalsContact C-N 3.34Å; L260-V262 PolarHBondContact O-N 3.35Å; L260-C263 PolarHBondContact O-N 3.04Å; L260-D264 WeakPolarHBondContact O-CB 3.37Å; L260-D264 VanDerWaalsContact O-CG 3.3Å; L260-D264 PolarHBondContact O-N 2.93Å
261E91.5Very high83.5Confident58 Ų5855.4 Ų55.427%0.27129%0.291SS..Hα-helixtrans-57.3-46.7174.1-179.8176.9-17600111.7E257 D258 H265 R298 S303E257-E261 PolarHBondContact O-N 3.4Å; D258-E261 PolarHBondContact O-N 3.13Å; E261-H265 PolarHBondContact O-N 3.49Å; E261-R298 IonicContact OE1-CZ 3.17Å; E261-R298 IonicContact OE1-NH1 2.74Å; E261-R298 IonicContact OE1-NH2 2.56Å; E261-R298 PolarHBondContact OE1-NH2 2.86Å; E261-R298 IonicContact OE2-CZ 2.72Å; E261-R298 IonicContact OE2-NH2 3.48Å; E261-R298 PolarHBondContact OE2-NH2 3.43Å; E261-S303 VanDerWaalsContact OE1-CB 3.26Å; E261-S303 WeakPolarHBondContact OE1-CB 3.43Å; E261-S303 PolarHBondContact OE1-OG 3.08Å; E261-S303 PolarHBondContact OE2-OG 2.83Å
262V91Very high80.9Confident2 Ų257.3 Ų57.31%0.01231%0.306CS..Hα-helixtrans-63.2-47.8176.7176.20000110.9I187 R244 I246 D258 I259 L260 H265 M266 I304I187-V262 HydrophobicContact CD1-CB 4.02Å; I187-V262 HydrophobicContact CD1-CG1 3.76Å; I187-V262 HydrophobicContact CG1-CG1 3.9Å; R244-V262 HydrophobicContact CB-CG1 4.26Å; R244-V262 HydrophobicContact CB-CG2 4.4Å; R244-V262 HydrophobicContact CG-CG1 4Å; I246-V262 HydrophobicContact CD1-CG2 4.28Å; D258-V262 WeakPolarHBondContact O-CG2 3.46Å; D258-V262 PolarHBondContact O-N 3.44Å; D258-V262 VanDerWaalsContact O-N 3.11Å; I259-V262 PolarHBondContact O-N 2.93Å; L260-V262 VanDerWaalsContact C-N 3.34Å; L260-V262 PolarHBondContact O-N 3.35Å; V262-H265 PolarHBondContact O-N 2.92Å; V262-M266 HydrophobicContact CG1-CG 4.32Å; V262-M266 VanDerWaalsContact O-CG 3.26Å; V262-M266 WeakPolarHBondContact O-CG 3.26Å; V262-M266 PolarHBondContact O-N 2.81Å; V262-I304 HydrophobicContact CG2-CD1 3.47Å; V262-I304 VanDerWaalsContact CG2-CD1 3.47Å; V262-I304 HydrophobicContact CG2-CG1 3.62Å; V262-I304 HydrophobicContact CG2-CG2 4.46Å
263C92.1Very high78.2Confident0 Ų062.5 Ų62.50%033%0.33CS..Hα-helixtrans-61.9-45.6-178.5-68.70000111.3I76 Y97 I259 L260 H265 M266 I267I76-C263 HydrophobicContact CD1-CB 4.31Å; Y97-C263 HydrophobicContact CE2-CB 3.61Å; Y97-C263 WeakPolarHBondContact OH-CB 3.08Å; I259-C263 WeakPolarHBondContact O-CB 3.39Å; I259-C263 PolarHBondContact O-N 2.72Å; I259-C263 PolarHBondContact O-SG 2.89Å; L260-C263 PolarHBondContact O-N 3.04Å; C263-H265 VanDerWaalsContact C-N 3.33Å; C263-H265 PolarHBondContact O-N 3Å; C263-M266 PolarHBondContact O-N 3.44Å; C263-M266 VanDerWaalsContact O-N 3.14Å; C263-I267 HydrophobicContact CB-CD1 4.16Å; C263-I267 VanDerWaalsContact O-CB 3.3Å; C263-I267 WeakPolarHBondContact O-CB 3.48Å; C263-I267 WeakPolarHBondContact O-CD1 3.09Å; C263-I267 WeakPolarHBondContact O-CG1 3.3Å; C263-I267 PolarHBondContact O-N 3.28Å
264D91.6Very high75.3Confident78 Ų7862.5 Ų62.542%0.41734%0.339SS..Hα-helixtrans-60.2-42.8179.1-77.2-13000111.7Y97 L260 S268Y97-D264 PolarHBondContact OH-N 3.35Å; Y97-D264 PolarHBondContact OH-OD1 3.03Å; L260-D264 WeakPolarHBondContact O-CB 3.37Å; L260-D264 VanDerWaalsContact O-CG 3.3Å; L260-D264 PolarHBondContact O-N 2.93Å; D264-S268 WeakPolarHBondContact O-CB 3.46Å; D264-S268 PolarHBondContact O-N 3.45Å; D264-S268 PolarHBondContact O-OG 2.85Å
265H88Confident72.3Confident109 Ų10967.4 Ų67.451%0.50536%0.361SS..Hα-helixtrans-63.5-42.2175.3-177.8-79.2000112E261 V262 C263 N269E261-H265 PolarHBondContact O-N 3.49Å; V262-H265 PolarHBondContact O-N 2.92Å; C263-H265 VanDerWaalsContact C-N 3.33Å; C263-H265 PolarHBondContact O-N 3Å; H265-N269 PolarHBondContact CE1-ND2 3.49Å; H265-N269 VanDerWaalsContact O-CG 3.27Å; H265-N269 PolarHBondContact O-ND2 3.42Å
266M87.9Confident69.4Low19 Ų1972.9 Ų72.99%0.09440%0.395CS..Hα-helixtrans-75.8-31.1-177.3-64.9-55.3145.700113.5I76 K184 C185 V262 C263I76-M266 HydrophobicContact CD1-CB 4.29Å; K184-M266 HydrophobicContact CB-CB 4.09Å; K184-M266 HydrophobicContact CB-CG 4.46Å; C185-M266 HydrophobicContact CB-CG 4.26Å; C185-M266 HydrophobicContact CB-SD 4.44Å; V262-M266 HydrophobicContact CG1-CG 4.32Å; V262-M266 VanDerWaalsContact O-CG 3.26Å; V262-M266 WeakPolarHBondContact O-CG 3.26Å; V262-M266 PolarHBondContact O-N 2.81Å; C263-M266 PolarHBondContact O-N 3.44Å; C263-M266 VanDerWaalsContact O-N 3.14Å
267I88.3Confident66.3Low32 Ų3278.9 Ų78.916%0.16442%0.422CS..Hα-helixtrans-84.2-39.4-179.2-63.3167.6000110.5V74 I76 Y97 F100 C263 N269 N270V74-I267 HydrophobicContact CG1-CG1 4.35Å; I76-I267 HydrophobicContact CD1-CD1 4.28Å; I76-I267 HydrophobicContact CD1-CG1 4.17Å; Y97-I267 HydrophobicContact CD1-CD1 3.68Å; Y97-I267 HydrophobicContact CD2-CD1 4.48Å; Y97-I267 HydrophobicContact CE1-CD1 3.52Å; Y97-I267 HydrophobicContact CE2-CD1 4.31Å; Y97-I267 HydrophobicContact CG-CD1 4.19Å; F100-I267 HydrophobicContact CE1-CD1 3.86Å; F100-I267 HydrophobicContact CE1-CG1 4.15Å; F100-I267 HydrophobicContact CE2-CD1 4.12Å; F100-I267 HydrophobicContact CE2-CG1 4.48Å; F100-I267 HydrophobicContact CE2-CG2 4.32Å; F100-I267 HydrophobicContact CZ-CD1 3.61Å; F100-I267 HydrophobicContact CZ-CG1 3.7Å; F100-I267 HydrophobicContact CZ-CG2 4.18Å; C263-I267 HydrophobicContact CB-CD1 4.16Å; C263-I267 VanDerWaalsContact O-CB 3.3Å; C263-I267 WeakPolarHBondContact O-CB 3.48Å; C263-I267 WeakPolarHBondContact O-CD1 3.09Å; C263-I267 WeakPolarHBondContact O-CG1 3.3Å; C263-I267 PolarHBondContact O-N 3.28Å; I267-N269 VanDerWaalsContact C-N 3.33Å; I267-N269 PolarHBondContact O-N 3.44Å; I267-N270 PolarHBondContact O-N 3.36Å
268S80Confident63.2Low61 Ų6180.9 Ų80.943%0.42743%0.431SS..Hα-helixtrans-68.3-28.7-178.5-59.50000113.7D264 N270 L271D264-S268 WeakPolarHBondContact O-CB 3.46Å; D264-S268 PolarHBondContact O-N 3.45Å; D264-S268 PolarHBondContact O-OG 2.85Å; S268-N270 PolarHBondContact O-N 3.06Å; S268-L271 PolarHBondContact O-N 2.78Å
269N59.5Low60.1Low103 Ų10385.9 Ų85.955%0.55146%0.462SS*.THydrogen-bonded Turntrans-62.7-10177.4-77.2-15.1000114H265 I267H265-N269 PolarHBondContact CE1-ND2 3.49Å; H265-N269 VanDerWaalsContact O-CG 3.27Å; H265-N269 PolarHBondContact O-ND2 3.42Å; I267-N269 VanDerWaalsContact C-N 3.33Å; I267-N269 PolarHBondContact O-N 3.44Å
270N49.8Very low57Low72 Ų7290.3 Ų90.339%0.38549%0.493SS..THydrogen-bonded Turntrans-84.7-15.1171.4-84.11.6000114.1V74 I267 S268V74-N270 WeakPolarHBondContact CG2-ND2 3.25Å; I267-N270 PolarHBondContact O-N 3.36Å; S268-N270 PolarHBondContact O-N 3.06Å
271L41.2Very low54Low143 Ų14396.7 Ų96.775%0.74953%0.528SS*.SBendtrans-88.5-3.1-172.1-74.6171000115.2S268S268-L271 PolarHBondContact O-N 2.78Å
272V31.4Very low51.1Low124 Ų12498.3 Ų98.375%0.75255%0.551SS**SBendtrans-103.80.8-174.3-173.20000114.4S274V272-S274 PolarHBondContact O-N 2.82Å
273D27.7Very low48.1Very low157 Ų157103.7 Ų103.784%0.8459%0.589SS**  trans-9868.3166.6-73-25.3000110.5
274S26.8Very low45.6Very low107 Ų107109.2 Ų109.275%0.74863%0.625SS**SBendtrans-139.892162-79.70000108.9V272V272-S274 PolarHBondContact O-N 2.82Å
275E26.2Very low42.6Very low156 Ų156113 Ų11373%0.72965%0.645SS**  trans19.1108.5155.1-62.1-179.3159.900116.2H277E275-H277 PolarHBondContact O-N 2.8Å; E275-H277 IonicContact OE2-CD2 3.03Å; E275-H277 PolarHBondContact OE2-CD2 2.83Å; E275-H277 IonicContact OE2-NE2 2.91Å
276V27.1Very low39.8Very low122 Ų122114.8 Ų114.874%0.73966%0.658SS**  trans-63.975.3158.8-173.30000108.6H278V276-H278 VanDerWaalsContact C-N 3.34Å; V276-H278 PolarHBondContact O-N 2.75Å
277H26.3Very low36.9Very low143 Ų143121.9 Ų121.966%0.66270%0.696SS**  trans-80.392.3159.1-86.7-53.8000107.9E275 T279E275-H277 PolarHBondContact O-N 2.8Å; E275-H277 IonicContact OE2-CD2 3.03Å; E275-H277 PolarHBondContact OE2-CD2 2.83Å; E275-H277 IonicContact OE2-NE2 2.91Å; H277-T279 PolarHBondContact O-N 3.39Å
278H24.5Very low33.9Very low173 Ų173127.9 Ų127.980%0.80173%0.727SS**  trans-52.499159.2-72.3-76.1000109.6V276V276-H278 VanDerWaalsContact C-N 3.34Å; V276-H278 PolarHBondContact O-N 2.75Å
279T26.2Very low31.2Very low124 Ų124131.6 Ų131.676%0.76174%0.741SS**  trans-129.3105.5156.556.80000110.4H277H277-T279 PolarHBondContact O-N 3.39Å
280S27.6Very low29.6Very low93 Ų93131.6 Ų131.665%0.6575%0.746SS**  trans-36.7147.8158.254.80000115.9
281N28.6Very low28.4Very low154 Ų154134.9 Ų134.982%0.82476%0.762SS**  trans88.497150.7-54-25000118.2
282A31.3Very low27.7Very low93 Ų93135 Ų13577%0.76976%0.764SS**  177.4114.8116.700000112.8
283S27.9Very low27.4Very low114 Ų114137.2 Ų137.280%0.79777%0.766SS**  trans47.2140.6144.951.40000123.2
284P39.3Very low27.2Very low117 Ų117132.8 Ų132.876%0.7676%0.757SS**  trans-95.5113.3-169.535.2-23.4000111.3
285D28.2Very low27.2Very low157 Ų157134.7 Ų134.784%0.8476%0.764SS**  trans-157.1125.4156-94.6-30.7000109
286N31Very low27.2Very low147 Ų147138.6 Ų138.679%0.78677%0.772SS**  trans106.772.4177.7-56.8-27.7000115.4L288N286-L288 PolarHBondContact O-N 3.29Å
287L25Very low27.1Very low167 Ų167136.5 Ų136.587%0.87478%0.775SS**  trans-6378.9151.4-66.4168.6000109.5I289L287-I289 PolarHBondContact O-N 3.41Å
288L26.3Very low27.4Very low158 Ų158137.7 Ų137.783%0.82777%0.774SS**  trans-86.989.7155.2-76.1170.7000106.8N286 P290N286-L288 PolarHBondContact O-N 3.29Å; L288-P290 VanDerWaalsContact O-CD 3.31Å; L288-P290 WeakPolarHBondContact O-CD 3.39Å
289I24.2Very low27.7Very low139 Ų139132.5 Ų132.571%0.71377%0.767SS**  trans-52116.5166.7-63.4164.7000107L287 I291L287-I289 PolarHBondContact O-N 3.41Å; I289-I291 PolarHBondContact O-N 3.11Å; I289-I291 VanDerWaalsContact O-N 3.16Å
290P25.9Very low28.2Very low103 Ų103132.3 Ų132.367%0.66977%0.771SS**  trans-61.2122.6167.3-14.829000106.5L288 N292L288-P290 VanDerWaalsContact O-CD 3.31Å; L288-P290 WeakPolarHBondContact O-CD 3.39Å; P290-N292 VanDerWaalsContact C-N 3.28Å; P290-N292 PolarHBondContact O-N 2.93Å
291I24.4Very low29Very low141 Ų141132.9 Ų132.972%0.72376%0.759SS**  trans-58.897.3174.4-64.2166.7000106I289 H293I289-I291 PolarHBondContact O-N 3.11Å; I289-I291 VanDerWaalsContact O-N 3.16Å; I291-H293 VanDerWaalsContact C-N 3.25Å; I291-H293 PolarHBondContact O-N 3.44Å
292N24.9Very low29.7Very low146 Ų146130.5 Ų130.578%0.78175%0.752SS**  trans-60.495.7165-82.9-18.6000106.2P290 G294P290-N292 VanDerWaalsContact C-N 3.28Å; P290-N292 PolarHBondContact O-N 2.93Å; N292-G294 PolarHBondContact O-N 3.18Å
293H26.7Very low30.3Very low171 Ų171127.9 Ų127.979%0.79273%0.728SS**  trans-53.5117159.2-79.9-81.6000106.4I291 T295I291-H293 VanDerWaalsContact C-N 3.25Å; I291-H293 PolarHBondContact O-N 3.44Å; H293-T295 PolarHBondContact O-N 2.7Å
294G23.8Very low31.4Very low63 Ų63124.4 Ų124.465%0.64970%0.7SS**  trans-54.7126.2-162.400000112.1N292 R296N292-G294 PolarHBondContact O-N 3.18Å; G294-R296 PolarHBondContact O-N 3.16Å
295T26.2Very low32Very low148 Ų148121.7 Ų121.791%0.90868%0.684SS**  trans-60.471.215112.90000108.3H293 G297H293-T295 PolarHBondContact O-N 2.7Å; T295-G297 PolarHBondContact O-N 3.26Å
296R25.3Very low33.7Very low238 Ų238116.3 Ų116.390%0.89866%0.658SS**  trans-77.3108.1171.7-140.1178.1-179.6-171.7-1.5105.3G294 R298G294-R296 PolarHBondContact O-N 3.16Å; R296-R298 PolarHBondContact O-N 2.98Å; R296-R298 VanDerWaalsContact O-N 3.16Å
297G25.1Very low35.5Very low77 Ų77112.3 Ų112.379%0.79464%0.636SS**  trans3.991.2176.500000116.1T295 G299T295-G297 PolarHBondContact O-N 3.26Å; G297-G299 VanDerWaalsContact C-N 3.3Å; G297-G299 PolarHBondContact O-N 2.96Å
298R33.5Very low37.6Very low168 Ų168107.6 Ų107.663%0.63462%0.616SS**  trans-6891.2169.5-152.5-175.5-155.8-138.210.2107.4E261 R296 S300 S303E261-R298 IonicContact OE1-CZ 3.17Å; E261-R298 IonicContact OE1-NH1 2.74Å; E261-R298 IonicContact OE1-NH2 2.56Å; E261-R298 PolarHBondContact OE1-NH2 2.86Å; E261-R298 IonicContact OE2-CZ 2.72Å; E261-R298 IonicContact OE2-NH2 3.48Å; E261-R298 PolarHBondContact OE2-NH2 3.43Å; R296-R298 PolarHBondContact O-N 2.98Å; R296-R298 VanDerWaalsContact O-N 3.16Å; R298-S300 PolarHBondContact O-N 3.07Å; R298-S303 VanDerWaalsContact CZ-OG 3.24Å; R298-S303 PolarHBondContact NH1-OG 2.87Å; R298-S303 PolarHBondContact NH2-OG 3.26Å
299G30.8Very low39.9Very low64 Ų64106.1 Ų106.166%0.6660%0.599SS**  trans-56.6125.9159.600000106.5G297 R301G297-G299 VanDerWaalsContact C-N 3.3Å; G297-G299 PolarHBondContact O-N 2.96Å; G299-R301 VanDerWaalsContact C-N 3.26Å; G299-R301 PolarHBondContact O-N 3.29Å
300S36.7Very low42.3Very low121 Ų121100.4 Ų100.485%0.84657%0.57SS**  trans-60.778.8-170.5-46.50000112.4R298R298-S300 PolarHBondContact O-N 3.07Å
301R44.2Very low44.8Very low105 Ų105101 Ų10140%0.39657%0.571SS.*  trans-70.6126.9157.3-162.9179.4-169.9149.89.4105.7E254 G299 S303E254-R301 IonicContact OE1-CZ 3.17Å; E254-R301 IonicContact OE1-NH1 3.47Å; E254-R301 PolarHBondContact OE1-NH1 2.93Å; E254-R301 IonicContact OE1-NH2 3.5Å; G299-R301 VanDerWaalsContact C-N 3.26Å; G299-R301 PolarHBondContact O-N 3.29Å; R301-S303 PolarHBondContact O-N 3.43Å
302P43.7Very low47.3Very low104 Ų10494.9 Ų94.968%0.67554%0.541SS*.  trans-59.9103.7168.8-15.527.8000107.3I304P302-I304 PolarHBondContact O-N 3.13Å
303S43.6Very low49.5Very low38 Ų3891.3 Ų91.327%0.26652%0.524SS..SBendtrans-64.6122.7177.4-75.30000108.7E261 R298 R301E261-S303 VanDerWaalsContact OE1-CB 3.26Å; E261-S303 WeakPolarHBondContact OE1-CB 3.43Å; E261-S303 PolarHBondContact OE1-OG 3.08Å; E261-S303 PolarHBondContact OE2-OG 2.83Å; R298-S303 VanDerWaalsContact CZ-OG 3.24Å; R298-S303 PolarHBondContact NH1-OG 2.87Å; R298-S303 PolarHBondContact NH2-OG 3.26Å; R301-S303 PolarHBondContact O-N 3.43Å
304I50.8Low51.7Low40 Ų4084.7 Ų84.721%0.20549%0.493CS..SBendtrans70.5108.6169.8-52.3149.5000113.1R244 V245 V262 P302 S306R244-I304 HydrophobicContact CB-CG2 3.98Å; V245-I304 CarbonylContact O-C 3.58Å; V245-I304 WeakPolarHBondContact O-CG2 3.41Å; V262-I304 HydrophobicContact CG2-CD1 3.47Å; V262-I304 VanDerWaalsContact CG2-CD1 3.47Å; V262-I304 HydrophobicContact CG2-CG1 3.62Å; V262-I304 HydrophobicContact CG2-CG2 4.46Å; P302-I304 PolarHBondContact O-N 3.13Å; I304-S306 PolarHBondContact O-N 3.47Å
305S52.5Low54.2Low60 Ų6083.5 Ų83.542%0.4248%0.475SS..  trans-8139.2-173.756.20000113.8V245 I307V245-S305 WeakPolarHBondContact CB-O 3.34Å; V245-S305 PolarHBondContact O-N 2.87Å; V245-S305 PolarHBondContact O-OG 2.97Å; V245-S305 VanDerWaalsContact O-OG 3.11Å; S305-I307 PolarHBondContact O-N 3.37Å
306S62.6Low56.7Low44 Ų4476.9 Ų76.931%0.30843%0.434SS..  trans-63.3129.416257.80000107.7I304 P308I304-S306 PolarHBondContact O-N 3.47Å; S306-P308 WeakPolarHBondContact O-CD 3.45Å
307I68.5Low59.1Low64 Ų6470.7 Ų70.733%0.32842%0.418SS..  trans-51.9114.1170.7-64.5166.3000106.9S305 R309 L491 P492 R495S305-I307 PolarHBondContact O-N 3.37Å; I307-R309 PolarHBondContact O-N 2.74Å; I307-L491 HydrophobicContact CD1-CB 4.01Å; I307-L491 HydrophobicContact CD1-CD1 4.05Å; I307-L491 HydrophobicContact CD1-CG 4.49Å; I307-L491 HydrophobicContact CG1-CB 4.08Å; I307-L491 HydrophobicContact CG1-CD1 4.21Å; I307-L491 VanDerWaalsContact CG2-C 3.44Å; I307-L491 HydrophobicContact CG2-CB 3.94Å; I307-P492 HydrophobicContact CG2-CB 4.34Å; I307-P492 HydrophobicContact CG2-CG 3.98Å; I307-R495 HydrophobicContact CG2-CB 3.98Å; I307-R495 PolarHBondContact O-NH1 3.14Å
308P70Confident61.7Low67 Ų6768.5 Ų68.544%0.43540%0.396SS..PPolyproline II helixtrans-60.4134-173.613.2-23.5000110.8S306 I310 P492S306-P308 WeakPolarHBondContact O-CD 3.45Å; P308-I310 PolarHBondContact O-N 3.16Å; P308-P492 HydrophobicContact CG-CB 4.39Å; P308-P492 HydrophobicContact CG-CG 3.7Å; P308-P492 WeakPolarHBondContact O-CB 3.41Å
309R74.3Confident63.9Low128 Ų12862.9 Ų62.948%0.48338%0.375SS..PPolyproline II helixtrans-74.1120.3171.9-168.8175.5-166.9161.810.6108.4E241 I307 E499E241-R309 IonicContact OE1-NH1 3.2Å; E241-R309 PolarHBondContact OE1-NH1 2.81Å; I307-R309 PolarHBondContact O-N 2.74Å; R309-E499 IonicContact CZ-OE1 3.47Å; R309-E499 IonicContact CZ-OE2 3.36Å; R309-E499 VanDerWaalsContact NE-CD 3.33Å; R309-E499 IonicContact NE-OE1 3.18Å; R309-E499 PolarHBondContact NE-OE1 2.61Å; R309-E499 VanDerWaalsContact NE-OE1 3.16Å; R309-E499 IonicContact NE-OE2 3.46Å; R309-E499 PolarHBondContact NE-OE2 2.91Å; R309-E499 VanDerWaalsContact NH2-CD 3.28Å; R309-E499 IonicContact NH2-OE1 2.62Å; R309-E499 IonicContact NH2-OE2 3.21Å; R309-E499 PolarHBondContact NH2-OE2 3.17Å
310I75.7Confident65.8Low18 Ų1861.8 Ų61.89%0.09235%0.353CS..PPolyproline II helixtrans-97.4138.1175.761176.7000110.1P308 E432 L435 P492 V493P308-I310 PolarHBondContact O-N 3.16Å; I310-E432 HydrophobicContact CB-CG 4.3Å; I310-E432 HydrophobicContact CD1-CB 4.37Å; I310-E432 HydrophobicContact CD1-CG 4.39Å; I310-E432 HydrophobicContact CG2-CB 4.46Å; I310-E432 HydrophobicContact CG2-CG 4.39Å; I310-L435 HydrophobicContact CD1-CD2 3.49Å; I310-L435 VanDerWaalsContact CD1-CD2 3.49Å; I310-L435 HydrophobicContact CG1-CD2 4.36Å; I310-P492 HydrophobicContact CD1-CB 4.5Å; I310-P492 HydrophobicContact CG2-CB 3.84Å; I310-V493 HydrophobicContact CD1-CB 4.34Å; I310-V493 HydrophobicContact CD1-CG2 3.78Å
311V77.4Confident67.1Low115 Ų11559.9 Ų59.970%0.69734%0.339SS*.  trans-113.397.2168.8-178.20000106
312P76.2Confident68Low14 Ų1457.5 Ų57.59%0.09135%0.348CS..  trans-59.9144.3-17926.6-34.2000110.1F314 L435 N436 Y496P312-F314 WeakPolarHBondContact CB-O 3.31Å; P312-F314 PolarHBondContact O-N 2.87Å; P312-L435 HydrophobicContact CB-CD2 4.03Å; P312-L435 HydrophobicContact CB-CG 4.24Å; P312-L435 HydrophobicContact CG-CD2 4.07Å; P312-N436 VanDerWaalsContact C-OD1 3.31Å; P312-N436 VanDerWaalsContact CA-OD1 3.25Å; P312-N436 WeakPolarHBondContact CA-OD1 3.18Å; P312-N436 WeakPolarHBondContact CB-OD1 3.39Å; P312-Y496 VanDerWaalsContact CD-CE2 3.47Å; P312-Y496 HydrophobicContact CG-CD2 4.04Å; P312-Y496 HydrophobicContact CG-CE2 3.42Å; P312-Y496 VanDerWaalsContact CG-CE2 3.42Å
313V73Confident69Low70 Ų7053.4 Ų53.442%0.42432%0.32SS..SBendtrans-57.4-37.2173.51790000110.5N436 Y659V313-N436 PolarHBondContact N-OD1 3.48Å; V313-Y659 HydrophobicContact CG1-CD1 3.74Å; V313-Y659 HydrophobicContact CG1-CE1 4.15Å
314F72.5Confident70Confident32 Ų3257.6 Ų57.614%0.1433%0.331CS..SBendtrans-107.9118.2173.9-56.6-72000109.9P312 N436 N439 Q440 Y659P312-F314 WeakPolarHBondContact CB-O 3.31Å; P312-F314 PolarHBondContact O-N 2.87Å; F314-N436 HydrophobicContact CD2-CB 3.98Å; F314-N436 PolarHBondContact N-OD1 3.04Å; F314-N439 HydrophobicContact CB-CB 4.15Å; F314-N439 WeakPolarHBondContact O-CB 3.28Å; F314-N439 PolarHBondContact O-ND2 3.07Å; F314-Q440 HydrophobicContact CB-CB 4.45Å; F314-Q440 HydrophobicContact CD2-CB 3.95Å; F314-Q440 HydrophobicContact CE2-CB 4.31Å; F314-Q440 HydrophobicContact CE2-CG 4.45Å; F314-Q440 HydrophobicContact CG-CB 4.07Å; F314-Q440 HydrophobicContact CZ-CG 4.45Å; F314-Y659 HydrophobicContact CE1-CD1 4.11Å; F314-Y659 AromaticContact CE1-CE1 3.57Å; F314-Y659 HydrophobicContact CE1-CE1 3.57Å; F314-Y659 HydrophobicContact CZ-CD1 4.48Å; F314-Y659 AromaticContact CZ-CE1 3.67Å; F314-Y659 HydrophobicContact CZ-CE1 3.67Å
315S75.9Confident71Confident39 Ų3962 Ų6227%0.27336%0.355SS..  trans-65.9146.4170.941.40000110.8N317S315-N317 PolarHBondContact O-N 3.04Å; S315-N317 VanDerWaalsContact O-N 3.12Å; S315-N317 PolarHBondContact OG-OD1 3.14Å; S315-N317 VanDerWaalsContact OG-OD1 3.09Å
316D79.3Confident72.5Confident8 Ų859.9 Ų59.94%0.04334%0.34CS..  trans-70.4102.2165.4167.122.8000108.8G318 N439 G444 Y496 R500 K502D316-G318 VanDerWaalsContact C-N 3.34Å; D316-G318 PolarHBondContact OD1-N 2.87Å; D316-G318 VanDerWaalsContact OD1-N 3.11Å; D316-N439 PolarHBondContact N-ND2 2.98Å; D316-G444 VanDerWaalsContact OD1-CA 3.29Å; D316-G444 WeakPolarHBondContact OD1-CA 3.36Å; D316-G444 PolarHBondContact OD1-N 3.01Å; D316-Y496 WeakPolarHBondContact CB-OH 3.36Å; D316-Y496 PolarHBondContact N-OH 3Å; D316-R500 PolarHBondContact O-NH2 2.83Å; D316-R500 IonicContact OD2-NE 3.58Å; D316-R500 IonicContact OD2-NH2 3.89Å; D316-R500 PolarHBondContact OD2-NH2 3.43Å; D316-K502 IonicContact OD2-NZ 4Å; D316-K502 PolarHBondContact OD2-NZ 2.56Å
317N75.5Confident73.8Confident108 Ų10858.7 Ų58.758%0.57833%0.331SS*.  trans-9519.6-179.6-68-30.4000112.9S315S315-N317 PolarHBondContact O-N 3.04Å; S315-N317 VanDerWaalsContact O-N 3.12Å; S315-N317 PolarHBondContact OG-OD1 3.14Å; S315-N317 VanDerWaalsContact OG-OD1 3.09Å
318G80.2Confident74.8Confident31 Ų3155.8 Ų55.832%0.3232%0.316SS..SBendtrans81.7-171.1-170.300000112.2D316 G443 G444D316-G318 VanDerWaalsContact C-N 3.34Å; D316-G318 PolarHBondContact OD1-N 2.87Å; D316-G318 VanDerWaalsContact OD1-N 3.11Å; G318-G443 CarbonylContact O-C 3.58Å; G318-G443 VanDerWaalsContact O-CA 3.3Å; G318-G443 WeakPolarHBondContact O-CA 3.15Å; G318-G444 PolarHBondContact O-N 3.13Å
319R79.6Confident75.9Confident51 Ų5152.7 Ų52.719%0.19230%0.296CS..SBendtrans-69.1135.4-177.3-61-57.3-69.1-92.1-5.5110.8Y324 C326 G443 G444R319-Y324 PolarHBondContact NH2-O 3.34Å; R319-C326 PolarHBondContact NH1-O 2.58Å; R319-G443 WeakPolarHBondContact CD-O 3.26Å; R319-G444 WeakPolarHBondContact CD-O 3.19Å
320M69Low76.9Confident41 Ų4146.6 Ų46.620%0.20227%0.273CS..PPolyproline II helixtrans-67.5144.6173-66-173.973.800112.1I323 Q440 C441 I442 P668M320-I323 HydrophobicContact CB-CD1 3.91Å; M320-I323 HydrophobicContact CB-CG1 4.36Å; M320-I323 PolarHBondContact O-N 3.38Å; M320-I323 HydrophobicContact SD-CD1 4.39Å; M320-Q440 WeakPolarHBondContact CE-O 3.45Å; M320-C441 WeakPolarHBondContact SD-CA 3.18Å; M320-C441 VanDerWaalsContact SD-O 3.41Å; M320-I442 PolarHBondContact N-O 2.9Å; M320-P668 HydrophobicContact CE-CG 4.35Å
321S63.9Low77.8Confident80 Ų8045.9 Ų45.956%0.55927%0.269SS*.THydrogen-bonded Turntrans-56.9140.4170.6-60.50000111.4I323S321-I323 VanDerWaalsContact C-N 3.32Å; S321-I323 PolarHBondContact O-N 2.83Å
322G63.3Low78.7Confident55 Ų5540.4 Ų40.457%0.56724%0.236SC*.THydrogen-bonded Turntrans85.8-8177.100000115.5
323I65.2Low79.5Confident19 Ų1939.7 Ų39.710%0.09723%0.232CC..SBendtrans-95.3143.9171.4-54-178.7000108.9M320 S321 N325 C441M320-I323 HydrophobicContact CB-CD1 3.91Å; M320-I323 HydrophobicContact CB-CG1 4.36Å; M320-I323 PolarHBondContact O-N 3.38Å; M320-I323 HydrophobicContact SD-CD1 4.39Å; S321-I323 VanDerWaalsContact C-N 3.32Å; S321-I323 PolarHBondContact O-N 2.83Å; I323-N325 PolarHBondContact O-N 2.81Å; I323-C441 WeakPolarHBondContact CD1-O 3.47Å
324Y64.9Low80.3Confident125 Ų12536.4 Ų36.449%0.4921%0.212SC..  trans-58.8133.9177.5-71.5-76.4000112.7R319 C326 S414 A417R319-Y324 PolarHBondContact NH2-O 3.34Å; Y324-C326 VanDerWaalsContact C-N 3.32Å; Y324-C326 PolarHBondContact O-N 3.39Å; Y324-S414 VanDerWaalsContact CD2-O 3.23Å; Y324-S414 WeakPolarHBondContact CD2-O 3.34Å; Y324-S414 WeakPolarHBondContact CE2-O 3.35Å; Y324-A417 HydrophobicContact CD2-CB 4.23Å; Y324-A417 HydrophobicContact CG-CB 4.11Å
325N71.9Confident81Confident134 Ų13435.5 Ų35.572%0.71721%0.209SC*.  trans-84.518.3-170.9-81.2-17.2000115.6I323I323-N325 PolarHBondContact O-N 2.81Å
326C83.4Confident81.7Confident14 Ų1434.3 Ų34.310%0.09520%0.203CC..PPolyproline II helixtrans-68145.7176.576.60000110.6R319 Y324 I328 A417 S420 V423R319-C326 PolarHBondContact NH1-O 2.58Å; Y324-C326 VanDerWaalsContact C-N 3.32Å; Y324-C326 PolarHBondContact O-N 3.39Å; C326-I328 PolarHBondContact O-N 3.41Å; C326-A417 WeakPolarHBondContact SG-CB 3.36Å; C326-S420 WeakPolarHBondContact CB-O 3.27Å; C326-V423 VanDerWaalsContact SG-CG2 3.57Å
327P89.5Confident82.4Confident19 Ų1934 Ų3412%0.12320%0.201CC..PPolyproline II helixtrans-54.7138.2178.5-26.132.4000114.1R421 A422 V423 D446 F526 K530P327-R421 WeakPolarHBondContact CD-O 3.47Å; P327-A422 HydrophobicContact CB-CB 4.15Å; P327-A422 WeakPolarHBondContact O-CA 3.28Å; P327-V423 PolarHBondContact O-N 3.09Å; P327-D446 WeakPolarHBondContact CA-OD2 2.97Å; P327-D446 HydrophobicContact CB-CB 4.42Å; P327-F526 HydrophobicContact CB-CE1 3.73Å; P327-F526 HydrophobicContact CB-CZ 3.81Å; P327-F526 HydrophobicContact CG-CE1 4.44Å; P327-K530 HydrophobicContact CG-CB 4.39Å; P327-K530 HydrophobicContact CG-CD 4.43Å; P327-K530 HydrophobicContact CG-CG 4.09Å
328I90.2Very high83.2Confident3 Ų329.7 Ų29.72%0.01518%0.182CC..EExtended strand (participates in β ladder)trans-103.9125.6172-70169.8000110.1C326 L330 I425 F438 I442 D446 L447C326-I328 PolarHBondContact O-N 3.41Å; I328-L330 HydrophobicContact CG2-CD2 3.77Å; I328-I425 HydrophobicContact CG2-CD1 3.86Å; I328-I425 HydrophobicContact CG2-CG1 4.34Å; I328-F438 HydrophobicContact CD1-CZ 4.17Å; I328-F438 HydrophobicContact CG2-CZ 4.18Å; I328-I442 HydrophobicContact CD1-CG2 3.53Å; I328-D446 PolarHBondContact N-OD2 2.95Å; I328-D446 PolarHBondContact O-N 3.32Å; I328-L447 PolarHBondContact O-N 3.42Å
329I93.8Very high83.9Confident2 Ų230.1 Ų30.11%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-114118.8176.5-52.9178.5000108A422 V423 I424 I425 L447 I449 I523 F526I329-A422 HydrophobicContact CD1-CB 4.2Å; I329-V423 PolarHBondContact N-O 3.43Å; I329-I424 HydrophobicContact CB-CG1 4.35Å; I329-I424 CarbonylContact O-C 3.53Å; I329-I424 VanDerWaalsContact O-CA 3.28Å; I329-I424 WeakPolarHBondContact O-CA 3.12Å; I329-I425 PolarHBondContact O-N 3.41Å; I329-L447 CarbonylContact C-O 3.5Å; I329-L447 VanDerWaalsContact CA-O 3.31Å; I329-L447 WeakPolarHBondContact CA-O 3.44Å; I329-L447 HydrophobicContact CD1-CD2 4.49Å; I329-L447 HydrophobicContact CG1-CB 4.35Å; I329-L447 HydrophobicContact CG1-CD2 4.49Å; I329-L447 HydrophobicContact CG2-CB 4.32Å; I329-L447 HydrophobicContact CG2-CD2 4.03Å; I329-L447 HydrophobicContact CG2-CG 4.19Å; I329-I449 HydrophobicContact CG2-CD1 4.06Å; I329-I449 HydrophobicContact CG2-CG1 4.32Å; I329-I523 HydrophobicContact CD1-CD1 3.52Å; I329-I523 HydrophobicContact CG2-CD1 4.19Å; I329-F526 HydrophobicContact CD1-CD1 3.84Å; I329-F526 HydrophobicContact CD1-CE1 3.76Å; I329-F526 HydrophobicContact CG1-CD1 4.35Å; I329-F526 HydrophobicContact CG1-CE1 3.85Å; I329-F526 HydrophobicContact CG1-CZ 4.43Å
330L94.6Very high84.4Confident0 Ų029.7 Ų29.70%018%0.177CC..EExtended strand (participates in β ladder)trans-89126.9172.6-54.4-171.7000109.4I328 L332 I425 F428 F438 V445 L447 V448 I449 Y497I328-L330 HydrophobicContact CG2-CD2 3.77Å; L330-L332 HydrophobicContact CB-CG 4.34Å; L330-I425 WeakPolarHBondContact CA-O 3.38Å; L330-I425 HydrophobicContact CD2-CB 3.86Å; L330-I425 HydrophobicContact CD2-CD1 4.4Å; L330-I425 HydrophobicContact CD2-CG2 4.41Å; L330-F428 WeakPolarHBondContact CD2-O 3.25Å; L330-F438 HydrophobicContact CD2-CE2 4.35Å; L330-V445 HydrophobicContact CD1-CB 4.5Å; L330-V445 HydrophobicContact CD1-CG1 3.94Å; L330-V445 HydrophobicContact CD1-CG2 3.72Å; L330-V445 HydrophobicContact CD2-CG2 4.38Å; L330-V445 HydrophobicContact CG-CG1 3.73Å; L330-V445 HydrophobicContact CG-CG2 4.04Å; L330-L447 PolarHBondContact N-O 3.05Å; L330-V448 HydrophobicContact CB-CB 4.49Å; L330-V448 HydrophobicContact CB-CG1 4.25Å; L330-V448 HydrophobicContact CB-CG2 4.15Å; L330-V448 HydrophobicContact CD1-CG2 4.02Å; L330-V448 HydrophobicContact CG-CG2 4.25Å; L330-I449 PolarHBondContact O-N 3.32Å; L330-Y497 HydrophobicContact CD1-CD2 4.49Å; L330-Y497 HydrophobicContact CD1-CE2 3.74Å
331L95.9Very high85.6Confident3 Ų332.8 Ų32.82%0.01619%0.192CC..EExtended strand (participates in β ladder)trans-106.2106170.6-173.263.5000109.6R339 A343 I424 I425 G427 I449 L451 L519L331-R339 HydrophobicContact CD2-CB 3.96Å; L331-R339 VanDerWaalsContact CD2-O 3.26Å; L331-R339 WeakPolarHBondContact CD2-O 3.45Å; L331-R339 HydrophobicContact CG-CB 4.1Å; L331-R339 HydrophobicContact CG-CG 4.26Å; L331-A343 HydrophobicContact CD2-CB 3.84Å; L331-I424 HydrophobicContact CB-CG2 3.92Å; L331-I425 PolarHBondContact N-O 2.9Å; L331-G427 PolarHBondContact O-N 3.26Å; L331-G427 VanDerWaalsContact O-N 3.1Å; L331-I449 HydrophobicContact CD1-CB 3.95Å; L331-I449 HydrophobicContact CD1-CG2 3.97Å; L331-L451 HydrophobicContact CD1-CD1 4.49Å; L331-L451 HydrophobicContact CD1-CG 4.15Å; L331-L519 HydrophobicContact CD1-CD2 4.25Å
332L94.7Very high87.1Confident0 Ų029.2 Ų29.20%017%0.166CC..EExtended strand (participates in β ladder)trans-112.4165.1-177.2-57-178.9000110.6L330 R339 V448 I449 L450 L451 I494L330-L332 HydrophobicContact CB-CG 4.34Å; L332-R339 VanDerWaalsContact C-CD 3.5Å; L332-V448 HydrophobicContact CD1-CG1 3.7Å; L332-V448 HydrophobicContact CG-CG1 4.23Å; L332-I449 PolarHBondContact N-O 2.58Å; L332-L450 WeakPolarHBondContact O-CA 3.44Å; L332-L451 PolarHBondContact O-N 3.01Å; L332-I494 HydrophobicContact CB-CD1 4.37Å; L332-I494 HydrophobicContact CB-CG1 4.44Å; L332-I494 HydrophobicContact CD1-CD1 4.38Å; L332-I494 HydrophobicContact CD1-CG1 3.62Å
333G92.8Very high88.6Confident0 Ų026.6 Ų26.60%014%0.139CC..EExtended strand (participates in β ladder)trans155.6160.3-175.100000111R339 L451 F486G333-R339 PolarHBondContact O-NH1 2.85Å; G333-L451 WeakPolarHBondContact CA-O 3.38Å; G333-F486 WeakPolarHBondContact O-CE2 3.41Å
334G90.7Very high90.1Very high1 Ų129.6 Ų29.61%0.0116%0.155CC..  trans-61.5160.2178.800000112.8G336 S337G334-G336 PolarHBondContact O-N 3.37Å; G334-S337 WeakPolarHBondContact O-CB 3.25Å; G334-S337 PolarHBondContact O-N 3.23Å; G334-S337 PolarHBondContact O-OG 2.71Å
335P87.6Confident91.6Very high12 Ų1225.4 Ų25.48%0.07814%0.144CC..THydrogen-bonded Turntrans-57.8126.3173.928.8-37.7000110.1L458 L462 R482 I483P335-L458 WeakPolarHBondContact O-CD2 3.22Å; P335-L462 HydrophobicContact CB-CD1 3.99Å; P335-L462 HydrophobicContact CB-CD2 4.3Å; P335-L462 HydrophobicContact CG-CD1 4.06Å; P335-L462 WeakPolarHBondContact O-CD1 3.5Å; P335-R482 HydrophobicContact CB-CB 4.09Å; P335-R482 HydrophobicContact CG-CB 3.76Å; P335-I483 HydrophobicContact CG-CG1 3.82Å
336G89.5Confident92.8Very high15 Ų1519.1 Ų19.116%0.15511%0.11CC..THydrogen-bonded Turntrans88.40.9-176.300000115.4G334 G338 R461G334-G336 PolarHBondContact O-N 3.37Å; G336-G338 PolarHBondContact O-N 2.92Å; G336-G338 VanDerWaalsContact O-N 3.12Å; G336-R461 WeakPolarHBondContact O-CD 3.41Å
337S94.1Very high93.4Very high1 Ų120 Ų201%0.00712%0.116CC..SBendtrans-67-7.9178.552.40000115.7G334 R339 C453G334-S337 WeakPolarHBondContact O-CB 3.25Å; G334-S337 PolarHBondContact O-N 3.23Å; G334-S337 PolarHBondContact O-OG 2.71Å; S337-R339 WeakPolarHBondContact OG-CG 3.35Å; S337-C453 VanDerWaalsContact CB-SG 3.55Å
338G92.9Very high93.7Very high17 Ų1726.7 Ų26.718%0.17515%0.146CC..SBendtrans92.27.5178.700000115.3G336 T340 E341 Q342G336-G338 PolarHBondContact O-N 2.92Å; G336-G338 VanDerWaalsContact O-N 3.12Å; G338-T340 VanDerWaalsContact C-N 3.33Å; G338-T340 PolarHBondContact O-N 2.88Å; G338-E341 PolarHBondContact O-N 3.47Å; G338-Q342 WeakPolarHBondContact O-CB 3.43Å; G338-Q342 VanDerWaalsContact O-CG 3.28Å; G338-Q342 WeakPolarHBondContact O-CG 3.35Å; G338-Q342 PolarHBondContact O-N 3.38Å
339R94.3Very high94Very high40 Ų4032.8 Ų32.815%0.15117%0.172CC..Hα-helixtrans-48.8-48.6-177.5-58.3169.3-46.4-17312.5113.6L331 L332 G333 S337 Q342 A343 E426 L451L331-R339 HydrophobicContact CD2-CB 3.96Å; L331-R339 VanDerWaalsContact CD2-O 3.26Å; L331-R339 WeakPolarHBondContact CD2-O 3.45Å; L331-R339 HydrophobicContact CG-CB 4.1Å; L331-R339 HydrophobicContact CG-CG 4.26Å; L332-R339 VanDerWaalsContact C-CD 3.5Å; G333-R339 PolarHBondContact O-NH1 2.85Å; S337-R339 WeakPolarHBondContact OG-CG 3.35Å; R339-Q342 PolarHBondContact O-N 3.38Å; R339-A343 VanDerWaalsContact O-CB 3.28Å; R339-A343 WeakPolarHBondContact O-CB 3.27Å; R339-A343 PolarHBondContact O-N 2.94Å; R339-E426 HydrophobicContact CB-CG 3.88Å; R339-E426 WeakPolarHBondContact CB-OE1 3.45Å; R339-E426 IonicContact CZ-OE1 2.69Å; R339-E426 IonicContact NE-OE1 3.87Å; R339-E426 PolarHBondContact NE-OE1 3.43Å; R339-E426 IonicContact NH2-OE1 3.81Å; R339-E426 PolarHBondContact NH2-OE1 3.47Å; R339-L451 HydrophobicContact CB-CD1 4.46Å; R339-L451 HydrophobicContact CG-CD1 3.97Å
340T91.4Very high94Very high42 Ų4233.6 Ų33.626%0.25818%0.176SC..Hα-helixtrans-60.3-49-178.2-53.60000112.2G338 Q342 A343 L344 Y355 E426G338-T340 VanDerWaalsContact C-N 3.33Å; G338-T340 PolarHBondContact O-N 2.88Å; T340-Q342 VanDerWaalsContact C-N 3.34Å; T340-Q342 PolarHBondContact O-N 2.87Å; T340-A343 PolarHBondContact O-N 3.29Å; T340-L344 HydrophobicContact CG2-CD1 4.11Å; T340-L344 VanDerWaalsContact O-CG 3.29Å; T340-L344 WeakPolarHBondContact O-CG 3.49Å; T340-L344 PolarHBondContact O-N 2.95Å; T340-Y355 WeakPolarHBondContact CG2-OH 3.5Å; T340-E426 VanDerWaalsContact CA-OE2 3.23Å; T340-E426 WeakPolarHBondContact CA-OE2 3.47Å; T340-E426 WeakPolarHBondContact CB-OE2 3.3Å; T340-E426 PolarHBondContact N-OE2 3.4Å; T340-E426 VanDerWaalsContact OG1-CD 3.27Å; T340-E426 PolarHBondContact OG1-OE1 3.45Å; T340-E426 VanDerWaalsContact OG1-OE1 3.1Å; T340-E426 PolarHBondContact OG1-OE2 3.18Å
341E92.5Very high93.8Very high107 Ų10738.6 Ų38.650%0.521%0.21SC..Hα-helixtrans-62.9-43.1179.6-175.7178.6165.700111.3G338 S345G338-E341 PolarHBondContact O-N 3.47Å; E341-S345 WeakPolarHBondContact O-CB 3.39Å; E341-S345 PolarHBondContact O-N 2.83Å; E341-S345 PolarHBondContact O-OG 3.5Å
342Q96.5Very high93.6Very high4 Ų440.3 Ų40.32%0.01923%0.229CC..Hα-helixtrans-66.1-42177.8-67.8-64.5-15.600112.4G338 R339 T340 S345 L346 L451 Q512 I515 L519G338-Q342 WeakPolarHBondContact O-CB 3.43Å; G338-Q342 VanDerWaalsContact O-CG 3.28Å; G338-Q342 WeakPolarHBondContact O-CG 3.35Å; G338-Q342 PolarHBondContact O-N 3.38Å; R339-Q342 PolarHBondContact O-N 3.38Å; T340-Q342 VanDerWaalsContact C-N 3.34Å; T340-Q342 PolarHBondContact O-N 2.87Å; Q342-S345 PolarHBondContact O-N 2.83Å; Q342-L346 VanDerWaalsContact O-CG 3.27Å; Q342-L346 WeakPolarHBondContact O-CG 3.43Å; Q342-L346 PolarHBondContact O-N 2.67Å; Q342-L451 HydrophobicContact CG-CD1 4.25Å; Q342-Q512 PolarHBondContact NE2-O 3.42Å; Q342-Q512 VanDerWaalsContact NE2-O 3.13Å; Q342-I515 HydrophobicContact CG-CG2 4.27Å; Q342-L519 HydrophobicContact CB-CD1 3.58Å; Q342-L519 HydrophobicContact CG-CD1 3.84Å; Q342-L519 VanDerWaalsContact OE1-CD1 3.31Å
343A95.5Very high93.4Very high0 Ų041 Ų410%023%0.232CC..Hα-helixtrans-64.8-43.8177.600000112.3L331 R339 T340 L346 C347 Y355 I424L331-A343 HydrophobicContact CD2-CB 3.84Å; R339-A343 VanDerWaalsContact O-CB 3.28Å; R339-A343 WeakPolarHBondContact O-CB 3.27Å; R339-A343 PolarHBondContact O-N 2.94Å; T340-A343 PolarHBondContact O-N 3.29Å; A343-L346 WeakPolarHBondContact O-CB 3.18Å; A343-L346 PolarHBondContact O-N 2.87Å; A343-C347 PolarHBondContact O-N 3.44Å; A343-Y355 HydrophobicContact CB-CD2 3.44Å; A343-Y355 VanDerWaalsContact CB-CD2 3.44Å; A343-Y355 HydrophobicContact CB-CE2 3.49Å; A343-Y355 VanDerWaalsContact CB-CE2 3.49Å; A343-Y355 HydrophobicContact CB-CG 4.3Å; A343-I424 HydrophobicContact CB-CG2 4.17Å
344L95.5Very high93.3Very high82 Ų8241.9 Ų41.943%0.42924%0.239SC..Hα-helixtrans-62.5-45.4175.9-68.8172.5000111.1T340 L346 C347 E348 Y355T340-L344 HydrophobicContact CG2-CD1 4.11Å; T340-L344 VanDerWaalsContact O-CG 3.29Å; T340-L344 WeakPolarHBondContact O-CG 3.49Å; T340-L344 PolarHBondContact O-N 2.95Å; L344-L346 VanDerWaalsContact C-N 3.27Å; L344-L346 PolarHBondContact O-N 3.4Å; L344-C347 WeakPolarHBondContact O-CB 3.42Å; L344-C347 PolarHBondContact O-N 2.95Å; L344-C347 VanDerWaalsContact O-N 3.13Å; L344-E348 PolarHBondContact O-N 3.43Å; L344-Y355 HydrophobicContact CD2-CD1 3.68Å; L344-Y355 HydrophobicContact CD2-CE1 3.78Å; L344-Y355 HydrophobicContact CD2-CG 4.5Å; L344-Y355 HydrophobicContact CG-CD1 4.48Å; L344-Y355 HydrophobicContact CG-CE1 4.28Å
345S97.3Very high93.3Very high37 Ų3744.2 Ų44.226%0.25925%0.248SC..Hα-helixtrans-60.5-35.6176.2-57.60000112.4E341 Q342 E348 K349E341-S345 WeakPolarHBondContact O-CB 3.39Å; E341-S345 PolarHBondContact O-N 2.83Å; E341-S345 PolarHBondContact O-OG 3.5Å; Q342-S345 PolarHBondContact O-N 2.83Å; S345-E348 PolarHBondContact O-N 3.36Å; S345-K349 WeakPolarHBondContact O-CB 3.48Å; S345-K349 PolarHBondContact O-N 2.88Å
346L97.3Very high93.3Very high2 Ų244.2 Ų44.21%0.0125%0.247CC..Hα-helixtrans-67.5-41.4174.9-75.8170.5000112.1Q342 A343 L344 E348 K349 F350 I424 F516 L519 V520 I523Q342-L346 VanDerWaalsContact O-CG 3.27Å; Q342-L346 WeakPolarHBondContact O-CG 3.43Å; Q342-L346 PolarHBondContact O-N 2.67Å; A343-L346 WeakPolarHBondContact O-CB 3.18Å; A343-L346 PolarHBondContact O-N 2.87Å; L344-L346 VanDerWaalsContact C-N 3.27Å; L344-L346 PolarHBondContact O-N 3.4Å; L346-E348 VanDerWaalsContact C-N 3.33Å; L346-K349 PolarHBondContact O-N 3.13Å; L346-F350 HydrophobicContact CD2-CD2 4.13Å; L346-F350 HydrophobicContact CD2-CE2 3.81Å; L346-F350 WeakPolarHBondContact O-CD2 3.22Å; L346-F350 PolarHBondContact O-N 3.24Å; L346-I424 HydrophobicContact CB-CD1 4.02Å; L346-I424 HydrophobicContact CD1-CD1 3.93Å; L346-F516 HydrophobicContact CD2-CE2 4.03Å; L346-F516 HydrophobicContact CG-CE2 4.16Å; L346-L519 HydrophobicContact CD1-CB 4.24Å; L346-L519 HydrophobicContact CD1-CD1 4.46Å; L346-L519 HydrophobicContact CD1-CD2 4.42Å; L346-L519 HydrophobicContact CD2-CB 4.15Å; L346-V520 HydrophobicContact CD2-CG2 4.11Å; L346-I523 HydrophobicContact CD1-CG1 4.11Å; L346-I523 HydrophobicContact CD2-CB 4.47Å; L346-I523 HydrophobicContact CD2-CG1 4.01Å
347C94.7Very high93.1Very high32 Ų3244 Ų4422%0.21624%0.243CC..Hα-helixtrans-63.9-36.6175-77.80000112.7A343 L344 K349 L353 Y355A343-C347 PolarHBondContact O-N 3.44Å; L344-C347 WeakPolarHBondContact O-CB 3.42Å; L344-C347 PolarHBondContact O-N 2.95Å; L344-C347 VanDerWaalsContact O-N 3.13Å; C347-K349 VanDerWaalsContact C-N 3.34Å; C347-L353 PolarHBondContact SG-O 2.99Å; C347-Y355 WeakPolarHBondContact SG-CB 3.29Å
348E95.9Very high92.2Very high161 Ų16144.1 Ų44.175%0.75224%0.243SC*.Hα-helixtrans-66.6-37.5172.6-69.7-179.5-179.800112L344 S345 L346L344-E348 PolarHBondContact O-N 3.43Å; S345-E348 PolarHBondContact O-N 3.36Å; L346-E348 VanDerWaalsContact C-N 3.33Å
349K95.8Very high91.2Very high130 Ų13045.6 Ų45.657%0.56525%0.249SC*.Hα-helixtrans-75.4-39.7-177.3-179.361.9175.9-176.70113.8S345 L346 C347 F516 V520S345-K349 WeakPolarHBondContact O-CB 3.48Å; S345-K349 PolarHBondContact O-N 2.88Å; L346-K349 PolarHBondContact O-N 3.13Å; C347-K349 VanDerWaalsContact C-N 3.34Å; K349-F516 HydrophobicContact CB-CZ 3.98Å; K349-F516 HydrophobicContact CG-CZ 4.26Å; K349-V520 HydrophobicContact CG-CG2 4.22Å
350F94Very high90.1Very high20 Ų2045.1 Ų45.19%0.08825%0.249CC..SBendtrans-115.2113.9-175.1-63.4-85.8000111L346 G352 L353 V520 I523 E524 L527L346-F350 HydrophobicContact CD2-CD2 4.13Å; L346-F350 HydrophobicContact CD2-CE2 3.81Å; L346-F350 WeakPolarHBondContact O-CD2 3.22Å; L346-F350 PolarHBondContact O-N 3.24Å; F350-G352 PolarHBondContact O-N 3.49Å; F350-L353 HydrophobicContact CB-CD1 3.41Å; F350-L353 VanDerWaalsContact CB-CD1 3.41Å; F350-L353 HydrophobicContact CB-CD2 3.83Å; F350-L353 HydrophobicContact CB-CG 4.1Å; F350-L353 HydrophobicContact CD2-CD2 4.19Å; F350-L353 HydrophobicContact CG-CD1 4.36Å; F350-L353 HydrophobicContact CG-CD2 4.3Å; F350-L353 PolarHBondContact O-N 2.78Å; F350-V520 HydrophobicContact CE2-CB 4.39Å; F350-V520 HydrophobicContact CE2-CG1 4.27Å; F350-V520 HydrophobicContact CE2-CG2 4.14Å; F350-V520 HydrophobicContact CZ-CB 4.4Å; F350-V520 HydrophobicContact CZ-CG1 3.88Å; F350-I523 HydrophobicContact CD1-CG2 4.47Å; F350-I523 HydrophobicContact CD2-CG2 3.82Å; F350-I523 HydrophobicContact CE1-CG2 4.3Å; F350-I523 HydrophobicContact CE2-CB 3.98Å; F350-I523 HydrophobicContact CE2-CG2 3.62Å; F350-I523 HydrophobicContact CG-CG2 4.24Å; F350-I523 HydrophobicContact CZ-CB 4.15Å; F350-I523 HydrophobicContact CZ-CG2 3.87Å; F350-E524 HydrophobicContact CE1-CB 4.01Å; F350-E524 HydrophobicContact CE1-CG 4.5Å; F350-E524 HydrophobicContact CZ-CB 4.02Å; F350-L527 HydrophobicContact CD1-CD1 4.34Å
351S91.6Very high89.3Confident104 Ų10445.8 Ų45.873%0.72725%0.249SC*.THydrogen-bonded Turntrans-60135.317658.60000111.9L353S351-L353 VanDerWaalsContact C-N 3.32Å
352G90.3Very high88.1Confident39 Ų3941 Ų4140%0.40223%0.226SC..THydrogen-bonded Turntrans82.82.8178.100000114.3F350 S420 R421F350-G352 PolarHBondContact O-N 3.49Å; G352-S420 CarbonylContact O-C 3.54Å; G352-S420 VanDerWaalsContact O-CA 3.29Å; G352-S420 WeakPolarHBondContact O-CA 3.41Å; G352-S420 WeakPolarHBondContact O-CB 3.36Å; G352-R421 WeakPolarHBondContact O-CB 3.41Å; G352-R421 PolarHBondContact O-N 3.36Å
353L92.3Very high86.7Confident15 Ų1542.8 Ų42.88%0.07923%0.233CC..EExtended strand (participates in β ladder)trans-77.7124.9166.1-87.362.7000109.2C347 F350 S351 A422 I424 I523 L527C347-L353 PolarHBondContact SG-O 2.99Å; F350-L353 HydrophobicContact CB-CD1 3.41Å; F350-L353 VanDerWaalsContact CB-CD1 3.41Å; F350-L353 HydrophobicContact CB-CD2 3.83Å; F350-L353 HydrophobicContact CB-CG 4.1Å; F350-L353 HydrophobicContact CD2-CD2 4.19Å; F350-L353 HydrophobicContact CG-CD1 4.36Å; F350-L353 HydrophobicContact CG-CD2 4.3Å; F350-L353 PolarHBondContact O-N 2.78Å; S351-L353 VanDerWaalsContact C-N 3.32Å; L353-A422 WeakPolarHBondContact CA-O 3.5Å; L353-I424 HydrophobicContact CD2-CD1 4.04Å; L353-I523 HydrophobicContact CD2-CG2 4.02Å; L353-L527 HydrophobicContact CD1-CD1 3.83Å
354A90.4Very high85.2Confident18 Ų1848.7 Ų48.715%0.14926%0.259CS..EExtended strand (participates in β ladder)trans-99150.3167.300000110.5L416 S420 A422 V423 I424A354-L416 HydrophobicContact CB-CB 4.15Å; A354-L416 HydrophobicContact CB-CD2 3.82Å; A354-L416 HydrophobicContact CB-CG 3.95Å; A354-S420 WeakPolarHBondContact CB-OG 3.48Å; A354-A422 PolarHBondContact N-O 3.25Å; A354-V423 HydrophobicContact CB-CG2 4.28Å; A354-V423 CarbonylContact O-C 3.49Å; A354-V423 WeakPolarHBondContact O-CA 3.46Å; A354-I424 PolarHBondContact O-N 3.37Å
355Y90.7Very high83.7Confident50 Ų5048.7 Ų48.720%0.19626%0.259CS..EExtended strand (participates in β ladder)trans-123.5133.2-179.8158.8-106.5000109.5T340 A343 L344 C347 N357 I424 E426T340-Y355 WeakPolarHBondContact CG2-OH 3.5Å; A343-Y355 HydrophobicContact CB-CD2 3.44Å; A343-Y355 VanDerWaalsContact CB-CD2 3.44Å; A343-Y355 HydrophobicContact CB-CE2 3.49Å; A343-Y355 VanDerWaalsContact CB-CE2 3.49Å; A343-Y355 HydrophobicContact CB-CG 4.3Å; L344-Y355 HydrophobicContact CD2-CD1 3.68Å; L344-Y355 HydrophobicContact CD2-CE1 3.78Å; L344-Y355 HydrophobicContact CD2-CG 4.5Å; L344-Y355 HydrophobicContact CG-CD1 4.48Å; L344-Y355 HydrophobicContact CG-CE1 4.28Å; C347-Y355 WeakPolarHBondContact SG-CB 3.29Å; Y355-N357 HydrophobicContact CE1-CB 4.28Å; Y355-N357 HydrophobicContact CE2-CB 4.08Å; Y355-N357 WeakPolarHBondContact OH-CB 3.46Å; Y355-N357 PolarHBondContact OH-ND2 3.42Å; Y355-I424 WeakPolarHBondContact CA-O 3.49Å; Y355-I424 HydrophobicContact CD2-CG2 4.35Å; Y355-E426 HydrophobicContact CE2-CB 3.85Å; Y355-E426 PolarHBondContact OH-OE2 3.08Å
356F86.9Confident81.8Confident12 Ų1249.1 Ų49.15%0.05326%0.26CS..EExtended strand (participates in β ladder)trans-132.8128.4176.3-170.2-124.5000110.8V358 F361 V408 I409 E412 L416 I424 I425 E426F356-V358 HydrophobicContact CD1-CG2 3.96Å; F356-V358 HydrophobicContact CE1-CB 4.36Å; F356-V358 HydrophobicContact CE1-CG2 3.67Å; F356-F361 HydrophobicContact CE2-CB 3.85Å; F356-F361 AromaticContact CE2-CD2 3.85Å; F356-F361 HydrophobicContact CE2-CD2 3.85Å; F356-F361 AromaticContact CE2-CG 3.93Å; F356-F361 HydrophobicContact CE2-CG 3.93Å; F356-F361 HydrophobicContact CZ-CB 4.08Å; F356-F361 HydrophobicContact CZ-CD2 4.38Å; F356-F361 HydrophobicContact CZ-CG 4.11Å; F356-V408 HydrophobicContact CZ-CG1 3.83Å; F356-I409 HydrophobicContact CE1-CG1 3.99Å; F356-E412 HydrophobicContact CD2-CG 3.91Å; F356-E412 HydrophobicContact CE1-CB 4.45Å; F356-E412 HydrophobicContact CE2-CB 4.05Å; F356-E412 HydrophobicContact CE2-CG 3.49Å; F356-E412 VanDerWaalsContact CE2-CG 3.49Å; F356-E412 HydrophobicContact CZ-CB 3.98Å; F356-E412 HydrophobicContact CZ-CG 3.94Å; F356-L416 HydrophobicContact CB-CD2 3.77Å; F356-L416 HydrophobicContact CG-CD2 4.43Å; F356-I424 PolarHBondContact N-O 3.5Å; F356-I425 CarbonylContact O-C 3.47Å; F356-I425 WeakPolarHBondContact O-CA 3.47Å; F356-E426 PolarHBondContact O-N 3.08Å
357N85.2Confident79.7Confident11 Ų1150 Ų506%0.05927%0.265CS..EExtended strand (participates in β ladder)trans-121.6107.2172.5177.2-29.2000108.1Y355 T359 D360 F361 E426Y355-N357 HydrophobicContact CE1-CB 4.28Å; Y355-N357 HydrophobicContact CE2-CB 4.08Å; Y355-N357 WeakPolarHBondContact OH-CB 3.46Å; Y355-N357 PolarHBondContact OH-ND2 3.42Å; N357-T359 VanDerWaalsContact C-N 3.28Å; N357-T359 PolarHBondContact O-N 3.15Å; N357-T359 WeakPolarHBondContact OD1-CB 3.46Å; N357-T359 PolarHBondContact OD1-N 3.14Å; N357-T359 VanDerWaalsContact OD1-N 3.09Å; N357-D360 HydrophobicContact CB-CB 3.95Å; N357-D360 PolarHBondContact O-N 3.35Å; N357-D360 PolarHBondContact OD1-N 2.9Å; N357-F361 WeakPolarHBondContact O-CB 3.35Å; N357-F361 PolarHBondContact O-N 2.66Å; N357-E426 HydrophobicContact CB-CB 4.13Å; N357-E426 PolarHBondContact ND2-OE2 2.92Å
358V75.1Confident78Confident3 Ų353.8 Ų53.82%0.01828%0.283CS..Hα-helixtrans-59.5-43.3-175.9-172.10000110.3F356 F361 L362 Q405 I409 I425 F428F356-V358 HydrophobicContact CD1-CG2 3.96Å; F356-V358 HydrophobicContact CE1-CB 4.36Å; F356-V358 HydrophobicContact CE1-CG2 3.67Å; V358-F361 PolarHBondContact O-N 3.16Å; V358-L362 HydrophobicContact CG1-CD1 4.24Å; V358-L362 VanDerWaalsContact O-CG 3.3Å; V358-L362 WeakPolarHBondContact O-CG 3.33Å; V358-L362 PolarHBondContact O-N 2.97Å; V358-Q405 HydrophobicContact CG1-CG 4.12Å; V358-I409 HydrophobicContact CG1-CD1 4.19Å; V358-I409 HydrophobicContact CG1-CG1 4.15Å; V358-I409 HydrophobicContact CG2-CD1 3.95Å; V358-I409 HydrophobicContact CG2-CG1 3.83Å; V358-I425 HydrophobicContact CG2-CG2 4.31Å; V358-F428 HydrophobicContact CB-CB 4.39Å; V358-F428 HydrophobicContact CG1-CD2 4.46Å; V358-F428 HydrophobicContact CG2-CB 3.63Å; V358-F428 HydrophobicContact CG2-CD2 4.24Å; V358-F428 HydrophobicContact CG2-CG 3.92Å
359T71Confident76.1Confident49 Ų4953.4 Ų53.430%0.30128%0.279SS..Hα-helixtrans-64.5-44.3-179.5-520000111.5N357 L362 R363 H386N357-T359 VanDerWaalsContact C-N 3.28Å; N357-T359 PolarHBondContact O-N 3.15Å; N357-T359 WeakPolarHBondContact OD1-CB 3.46Å; N357-T359 PolarHBondContact OD1-N 3.14Å; N357-T359 VanDerWaalsContact OD1-N 3.09Å; T359-L362 PolarHBondContact O-N 3.48Å; T359-R363 PolarHBondContact O-N 3.47Å; T359-H386 VanDerWaalsContact CG2-CE1 3.48Å; T359-H386 WeakPolarHBondContact CG2-CE1 3.17Å
360D72.5Confident74Confident29 Ų2949.6 Ų49.616%0.15526%0.264CS..Hα-helixtrans-67.7-40178.1-81.14.5000112.5N357 R363 K364N357-D360 HydrophobicContact CB-CB 3.95Å; N357-D360 PolarHBondContact O-N 3.35Å; N357-D360 PolarHBondContact OD1-N 2.9Å; D360-R363 PolarHBondContact O-N 3.08Å; D360-R363 IonicContact OD1-CZ 2.83Å; D360-R363 IonicContact OD1-NH1 3.03Å; D360-R363 PolarHBondContact OD1-NH1 2.75Å; D360-R363 IonicContact OD1-NH2 3.55Å; D360-R363 PolarHBondContact OD1-NH2 3.32Å; D360-K364 WeakPolarHBondContact O-CG 3.4Å; D360-K364 PolarHBondContact O-N 3.1Å
361F73.7Confident71.8Confident57 Ų5754.5 Ų54.525%0.2529%0.292CS..Hα-helixtrans-59.8-47.9175.4179.2-85.3000111F356 N357 V358 K364 N365 V408F356-F361 HydrophobicContact CE2-CB 3.85Å; F356-F361 AromaticContact CE2-CD2 3.85Å; F356-F361 HydrophobicContact CE2-CD2 3.85Å; F356-F361 AromaticContact CE2-CG 3.93Å; F356-F361 HydrophobicContact CE2-CG 3.93Å; F356-F361 HydrophobicContact CZ-CB 4.08Å; F356-F361 HydrophobicContact CZ-CD2 4.38Å; F356-F361 HydrophobicContact CZ-CG 4.11Å; N357-F361 WeakPolarHBondContact O-CB 3.35Å; N357-F361 PolarHBondContact O-N 2.66Å; V358-F361 PolarHBondContact O-N 3.16Å; F361-K364 PolarHBondContact O-N 2.91Å; F361-N365 WeakPolarHBondContact CD2-ND2 3.48Å; F361-N365 HydrophobicContact CE1-CB 4.31Å; F361-N365 VanDerWaalsContact CE2-ND2 3.34Å; F361-N365 WeakPolarHBondContact CE2-ND2 3.43Å; F361-N365 WeakPolarHBondContact O-CB 3.31Å; F361-N365 PolarHBondContact O-N 3.38Å; F361-N365 PolarHBondContact O-ND2 3.34Å; F361-V408 HydrophobicContact CD1-CG1 3.42Å; F361-V408 VanDerWaalsContact CD1-CG1 3.42Å; F361-V408 HydrophobicContact CD1-CG2 4.4Å; F361-V408 HydrophobicContact CE1-CB 4.25Å; F361-V408 HydrophobicContact CE1-CG1 3.37Å; F361-V408 HydrophobicContact CE1-CG2 3.8Å; F361-V408 HydrophobicContact CG-CG1 4.19Å; F361-V408 HydrophobicContact CZ-CG1 4.1Å
362L68.3Low69.9Low5 Ų558.6 Ų58.63%0.02630%0.299CS..Hα-helixtrans-66-39.2179.4-71175.8000112.2V358 T359 V366 L367 Y401 V404 Q405 V408V358-L362 HydrophobicContact CG1-CD1 4.24Å; V358-L362 VanDerWaalsContact O-CG 3.3Å; V358-L362 WeakPolarHBondContact O-CG 3.33Å; V358-L362 PolarHBondContact O-N 2.97Å; T359-L362 PolarHBondContact O-N 3.48Å; L362-V366 HydrophobicContact CD2-CG2 4.21Å; L362-V366 WeakPolarHBondContact O-CA 3.23Å; L362-V366 WeakPolarHBondContact O-CB 3.27Å; L362-V366 PolarHBondContact O-N 2.87Å; L362-L367 PolarHBondContact O-N 3.41Å; L362-Y401 HydrophobicContact CD1-CE1 3.82Å; L362-V404 HydrophobicContact CD2-CG1 4.27Å; L362-Q405 HydrophobicContact CD1-CG 3.67Å; L362-V408 HydrophobicContact CD2-CG2 4.49Å
363R65.8Low67.9Low43 Ų4363.9 Ų63.916%0.16232%0.318CS..Iπ-helixtrans-58.4-52.7174.8-169.3-172.8-42.3962.9111.2T359 D360 N365 L367 D368 E473T359-R363 PolarHBondContact O-N 3.47Å; D360-R363 PolarHBondContact O-N 3.08Å; D360-R363 IonicContact OD1-CZ 2.83Å; D360-R363 IonicContact OD1-NH1 3.03Å; D360-R363 PolarHBondContact OD1-NH1 2.75Å; D360-R363 IonicContact OD1-NH2 3.55Å; D360-R363 PolarHBondContact OD1-NH2 3.32Å; R363-N365 PolarHBondContact O-N 3.44Å; R363-L367 HydrophobicContact CB-CD1 4.27Å; R363-L367 HydrophobicContact CG-CB 4.25Å; R363-L367 HydrophobicContact CG-CD1 4.01Å; R363-L367 WeakPolarHBondContact O-CA 3.41Å; R363-L367 VanDerWaalsContact O-CB 3.31Å; R363-L367 WeakPolarHBondContact O-CB 3.2Å; R363-L367 PolarHBondContact O-N 2.98Å; R363-D368 PolarHBondContact O-N 2.92Å; R363-E473 IonicContact NE-OE2 3.2Å; R363-E473 IonicContact NH2-OE2 2.72Å
364K65.8Low65.7Low123 Ų12369 Ų6954%0.53535%0.345SS..Iπ-helixtrans-64.7-41.5-177.7-71.2177-178.9176.50113.6D360 F361 D368 F369D360-K364 WeakPolarHBondContact O-CG 3.4Å; D360-K364 PolarHBondContact O-N 3.1Å; F361-K364 PolarHBondContact O-N 2.91Å; K364-D368 WeakPolarHBondContact CA-OD2 3.41Å; K364-F369 WeakPolarHBondContact O-CD2 3.31Å; K364-F369 WeakPolarHBondContact O-CE2 3.2Å
365N62.8Low63.4Low83 Ų8372.8 Ų72.844%0.44437%0.367SS..Iπ-helixtrans-92.6-17.5-172.1-67.2-74.2000114F361 R363 F369F361-N365 WeakPolarHBondContact CD2-ND2 3.48Å; F361-N365 HydrophobicContact CE1-CB 4.31Å; F361-N365 VanDerWaalsContact CE2-ND2 3.34Å; F361-N365 WeakPolarHBondContact CE2-ND2 3.43Å; F361-N365 WeakPolarHBondContact O-CB 3.31Å; F361-N365 PolarHBondContact O-N 3.38Å; F361-N365 PolarHBondContact O-ND2 3.34Å; R363-N365 PolarHBondContact O-N 3.44Å; N365-F369 WeakPolarHBondContact O-CD2 3.2Å
366V57.4Low61.3Low45 Ų4578.1 Ų78.127%0.27339%0.391SS..Iπ-helixtrans-119.2-50.9-177.4-171.10000111.2L362 I370 W378 Y401L362-V366 HydrophobicContact CD2-CG2 4.21Å; L362-V366 WeakPolarHBondContact O-CA 3.23Å; L362-V366 WeakPolarHBondContact O-CB 3.27Å; L362-V366 PolarHBondContact O-N 2.87Å; V366-I370 VanDerWaalsContact O-CG1 3.28Å; V366-I370 WeakPolarHBondContact O-CG1 3.47Å; V366-W378 HydrophobicContact CG1-CZ3 4.47Å; V366-Y401 HydrophobicContact CG1-CE2 4.23Å
367L54.5Low59.3Low21 Ų2182.7 Ų82.711%0.1142%0.416CS..Iπ-helixtrans-77.3-43.5-172.7-62.3178.5000113.3L362 R363 F369 I370 A382 H386L362-L367 PolarHBondContact O-N 3.41Å; R363-L367 HydrophobicContact CB-CD1 4.27Å; R363-L367 HydrophobicContact CG-CB 4.25Å; R363-L367 HydrophobicContact CG-CD1 4.01Å; R363-L367 WeakPolarHBondContact O-CA 3.41Å; R363-L367 VanDerWaalsContact O-CB 3.31Å; R363-L367 WeakPolarHBondContact O-CB 3.2Å; R363-L367 PolarHBondContact O-N 2.98Å; L367-F369 PolarHBondContact O-N 3.48Å; L367-F369 VanDerWaalsContact O-N 3.1Å; L367-I370 HydrophobicContact CD2-CD1 3.83Å; L367-I370 WeakPolarHBondContact O-CB 3.4Å; L367-I370 WeakPolarHBondContact O-CG1 3.35Å; L367-I370 PolarHBondContact O-N 3.42Å; L367-I370 VanDerWaalsContact O-N 3.08Å; L367-A382 HydrophobicContact CD1-CB 3.8Å; L367-A382 HydrophobicContact CD2-CB 3.8Å; L367-A382 HydrophobicContact CG-CB 4.42Å; L367-H386 VanDerWaalsContact CD1-NE2 3.31Å; L367-H386 WeakPolarHBondContact CD1-NE2 3.45Å
368D57.6Low57.2Low111 Ų11186.1 Ų86.159%0.59443%0.428SS*.THydrogen-bonded Turntrans-65.9-16.3-176.1-66.1-7000112.9R363 K364R363-D368 PolarHBondContact O-N 2.92Å; K364-D368 WeakPolarHBondContact CA-OD2 3.41Å
369F55.8Low55.7Low153 Ų15390.4 Ų90.467%0.67145%0.451SS*.THydrogen-bonded Turntrans-92.62.2177.8-67.7-76.6000114K364 N365 L367K364-F369 WeakPolarHBondContact O-CD2 3.31Å; K364-F369 WeakPolarHBondContact O-CE2 3.2Å; N365-F369 WeakPolarHBondContact O-CD2 3.2Å; L367-F369 PolarHBondContact O-N 3.48Å; L367-F369 VanDerWaalsContact O-N 3.1Å
370I51.9Low54.6Low51 Ų5190.3 Ų90.326%0.26245%0.451SS..SBendtrans-87.1113.9-179.7-56.4172.9000108.3V366 L367 W378V366-I370 VanDerWaalsContact O-CG1 3.28Å; V366-I370 WeakPolarHBondContact O-CG1 3.47Å; L367-I370 HydrophobicContact CD2-CD1 3.83Å; L367-I370 WeakPolarHBondContact O-CB 3.4Å; L367-I370 WeakPolarHBondContact O-CG1 3.35Å; L367-I370 PolarHBondContact O-N 3.42Å; L367-I370 VanDerWaalsContact O-N 3.08Å; I370-W378 HydrophobicContact CD1-CB 3.68Å; I370-W378 HydrophobicContact CD1-CD2 3.5Å; I370-W378 HydrophobicContact CD1-CE3 3.52Å; I370-W378 HydrophobicContact CD1-CG 3.59Å; I370-W378 HydrophobicContact CD1-CZ3 4.3Å; I370-W378 HydrophobicContact CG1-CD2 4.48Å; I370-W378 HydrophobicContact CG1-CG 4.39Å; I370-W378 HydrophobicContact CG2-CB 3.72Å; I370-W378 HydrophobicContact CG2-CG 3.87Å
371N49.2Very low53.3Low123 Ų12390.5 Ų90.566%0.65845%0.451SS*.  trans-64.1136.8-179.3-70.7-42.3000111.9N373 D374N371-N373 PolarHBondContact O-N 3.19Å; N371-D374 PolarHBondContact O-N 2.84Å
372E50.1Low51.9Low189 Ų18988.9 Ų88.988%0.88345%0.448SS*.THydrogen-bonded Turntrans-54.8-21.5179-67.9-176.4159.900114.9
373N49.1Very low50.8Low150 Ų15094.4 Ų94.480%0.80247%0.469SS*.THydrogen-bonded Turntrans-79.1-15-177.3-75.5-31.3000114.3N371 T375N371-N373 PolarHBondContact O-N 3.19Å; N373-T375 VanDerWaalsContact C-N 3.25Å; N373-T375 PolarHBondContact O-N 3.27Å; N373-T375 VanDerWaalsContact O-N 3.14Å
374D46.6Very low49.9Very low122 Ų12295.2 Ų95.265%0.65247%0.472SS*.SBendtrans-89.664174.2-78.3-30.7000110.5N371 K376N371-D374 PolarHBondContact O-N 2.84Å; D374-K376 PolarHBondContact O-N 3.38Å
375T40.8Very low49.1Very low99 Ų9991 Ų9161%0.60746%0.456SS*.  trans-63.1103.2174.457.60000110N373N373-T375 VanDerWaalsContact C-N 3.25Å; N373-T375 PolarHBondContact O-N 3.27Å; N373-T375 VanDerWaalsContact O-N 3.14Å
376K47.7Very low48.4Very low161 Ų16188 Ų8870%0.744%0.439SS*.SBend166.7-26.5121.6-89.2166.7-175.5-179.30116.2D374 V380D374-K376 PolarHBondContact O-N 3.38Å; K376-V380 VanDerWaalsContact O-CG2 3.28Å; K376-V380 WeakPolarHBondContact O-CG2 3.38Å
377D45.5Very low47.7Very low108 Ų10886 Ų8658%0.57843%0.428SS*.SBendtrans-91.6-38.1-175.5-78.5-19.6000112.5V380 I381D377-V380 CarbonylContact O-C 3.51Å; D377-V380 WeakPolarHBondContact O-CB 3.29Å; D377-V380 PolarHBondContact O-N 3.44Å; D377-I381 HydrophobicContact CB-CD1 4.48Å; D377-I381 WeakPolarHBondContact O-CD1 3.3Å; D377-I381 WeakPolarHBondContact O-CG1 3.33Å; D377-I381 PolarHBondContact O-N 3.43Å
378W40.9Very low47.2Very low84 Ų8486.1 Ų86.132%0.31843%0.43SS..Hα-helixtrans-76.4-34.1-174.4-73.1111.4000115.2V366 I370 V380 I381 A382 I398V366-W378 HydrophobicContact CG1-CZ3 4.47Å; I370-W378 HydrophobicContact CD1-CB 3.68Å; I370-W378 HydrophobicContact CD1-CD2 3.5Å; I370-W378 HydrophobicContact CD1-CE3 3.52Å; I370-W378 HydrophobicContact CD1-CG 3.59Å; I370-W378 HydrophobicContact CD1-CZ3 4.3Å; I370-W378 HydrophobicContact CG1-CD2 4.48Å; I370-W378 HydrophobicContact CG1-CG 4.39Å; I370-W378 HydrophobicContact CG2-CB 3.72Å; I370-W378 HydrophobicContact CG2-CG 3.87Å; W378-V380 PolarHBondContact O-N 2.91Å; W378-I381 HydrophobicContact CD2-CD1 3.8Å; W378-I381 HydrophobicContact CE3-CB 3.95Å; W378-I381 HydrophobicContact CE3-CD1 3.55Å; W378-I381 HydrophobicContact CE3-CG1 4.36Å; W378-I381 HydrophobicContact CE3-CG2 3.86Å; W378-I381 HydrophobicContact CG-CD1 4.4Å; W378-I381 HydrophobicContact CH2-CD1 4.42Å; W378-I381 HydrophobicContact CZ3-CB 4.48Å; W378-I381 HydrophobicContact CZ3-CD1 3.89Å; W378-I381 HydrophobicContact CZ3-CG2 3.94Å; W378-I381 CarbonylContact O-C 3.36Å; W378-I381 PolarHBondContact O-N 2.91Å; W378-I381 VanDerWaalsContact O-N 3.15Å; W378-A382 WeakPolarHBondContact O-CB 3.47Å; W378-A382 PolarHBondContact O-N 2.86Å; W378-I398 HydrophobicContact CH2-CD1 4.18Å; W378-I398 HydrophobicContact CZ2-CD1 4.46Å
379D42.3Very low46.3Very low92 Ų9283.3 Ų83.349%0.49242%0.415SS..Hα-helixtrans-63.2-32.1169.7-70.8-30.5000111.5R383D379-R383 VanDerWaalsContact CB-NH2 3.31Å; D379-R383 WeakPolarHBondContact O-CB 3.35Å; D379-R383 WeakPolarHBondContact O-CG 3.41Å; D379-R383 PolarHBondContact O-N 3.49Å; D379-R383 PolarHBondContact O-NE 3.14Å
380V47.9Very low45.6Very low48 Ų4880.7 Ų80.729%0.29141%0.413SS..Hα-helixtrans-73.5-37.1174.5174.70000110.4K376 D377 W378 R384K376-V380 VanDerWaalsContact O-CG2 3.28Å; K376-V380 WeakPolarHBondContact O-CG2 3.38Å; D377-V380 CarbonylContact O-C 3.51Å; D377-V380 WeakPolarHBondContact O-CB 3.29Å; D377-V380 PolarHBondContact O-N 3.44Å; W378-V380 PolarHBondContact O-N 2.91Å; V380-R384 VanDerWaalsContact O-CB 3.29Å; V380-R384 WeakPolarHBondContact O-CB 3.47Å; V380-R384 PolarHBondContact O-N 3.41Å
381I46.7Very low45.1Very low33 Ų3382.2 Ų82.217%0.16943%0.427CS..Hα-helixtrans-68-49.1174-66.2159.8000110.4D377 W378 R383 R384 V385D377-I381 HydrophobicContact CB-CD1 4.48Å; D377-I381 WeakPolarHBondContact O-CD1 3.3Å; D377-I381 WeakPolarHBondContact O-CG1 3.33Å; D377-I381 PolarHBondContact O-N 3.43Å; W378-I381 HydrophobicContact CD2-CD1 3.8Å; W378-I381 HydrophobicContact CE3-CB 3.95Å; W378-I381 HydrophobicContact CE3-CD1 3.55Å; W378-I381 HydrophobicContact CE3-CG1 4.36Å; W378-I381 HydrophobicContact CE3-CG2 3.86Å; W378-I381 HydrophobicContact CG-CD1 4.4Å; W378-I381 HydrophobicContact CH2-CD1 4.42Å; W378-I381 HydrophobicContact CZ3-CB 4.48Å; W378-I381 HydrophobicContact CZ3-CD1 3.89Å; W378-I381 HydrophobicContact CZ3-CG2 3.94Å; W378-I381 CarbonylContact O-C 3.36Å; W378-I381 PolarHBondContact O-N 2.91Å; W378-I381 VanDerWaalsContact O-N 3.15Å; I381-R383 VanDerWaalsContact C-N 3.35Å; I381-R383 PolarHBondContact O-N 3.3Å; I381-R384 CarbonylContact O-C 3.52Å; I381-R384 PolarHBondContact O-N 2.99Å; I381-V385 HydrophobicContact CG2-CG2 3.75Å; I381-V385 VanDerWaalsContact O-CB 3.27Å; I381-V385 WeakPolarHBondContact O-CB 3.16Å; I381-V385 WeakPolarHBondContact O-CG2 3.38Å; I381-V385 PolarHBondContact O-N 2.97Å
382A42.5Very low44.6Very low22 Ų2280.7 Ų80.718%0.18242%0.418CS..Hα-helixtrans-59.1-46.9174.300000110.7L367 W378 R384 H386L367-A382 HydrophobicContact CD1-CB 3.8Å; L367-A382 HydrophobicContact CD2-CB 3.8Å; L367-A382 HydrophobicContact CG-CB 4.42Å; W378-A382 WeakPolarHBondContact O-CB 3.47Å; W378-A382 PolarHBondContact O-N 2.86Å; A382-R384 VanDerWaalsContact C-N 3.26Å; A382-R384 PolarHBondContact O-N 3.39Å; A382-H386 VanDerWaalsContact O-CB 3.31Å; A382-H386 WeakPolarHBondContact O-CB 3.45Å; A382-H386 PolarHBondContact O-CD2 3.09Å; A382-H386 PolarHBondContact O-N 3.4Å
383R45.4Very low44Very low122 Ų12282.5 Ų82.546%0.4642%0.423SS..Hα-helixtrans-59-33.8172.4-80.7-174.5-65.5-95-6.6112.1D379 I381 S387D379-R383 VanDerWaalsContact CB-NH2 3.31Å; D379-R383 WeakPolarHBondContact O-CB 3.35Å; D379-R383 WeakPolarHBondContact O-CG 3.41Å; D379-R383 PolarHBondContact O-N 3.49Å; D379-R383 PolarHBondContact O-NE 3.14Å; I381-R383 VanDerWaalsContact C-N 3.35Å; I381-R383 PolarHBondContact O-N 3.3Å; R383-S387 WeakPolarHBondContact O-CA 3.34Å; R383-S387 WeakPolarHBondContact O-CB 3.31Å; R383-S387 PolarHBondContact O-N 2.77Å; R383-S387 PolarHBondContact O-OG 2.63Å
384R47.8Very low43.4Very low59 Ų5983.4 Ų83.422%0.22342%0.42CS..Hα-helixtrans-94.3-21.4179.8-85174.2178.1155.8-24117V380 I381 A382 S387 L392 D395V380-R384 VanDerWaalsContact O-CB 3.29Å; V380-R384 WeakPolarHBondContact O-CB 3.47Å; V380-R384 PolarHBondContact O-N 3.41Å; I381-R384 CarbonylContact O-C 3.52Å; I381-R384 PolarHBondContact O-N 2.99Å; A382-R384 VanDerWaalsContact C-N 3.26Å; A382-R384 PolarHBondContact O-N 3.39Å; R384-S387 CarbonylContact C-O 3.44Å; R384-S387 VanDerWaalsContact C-O 3.31Å; R384-S387 VanDerWaalsContact CA-O 3.3Å; R384-S387 WeakPolarHBondContact CA-O 3.42Å; R384-S387 CarbonylContact O-C 3.59Å; R384-L392 VanDerWaalsContact NH2-CD1 3.27Å; R384-D395 IonicContact CZ-OD1 3.43Å; R384-D395 IonicContact CZ-OD2 3.08Å; R384-D395 IonicContact NE-OD2 3.67Å; R384-D395 IonicContact NH1-OD1 2.81Å; R384-D395 PolarHBondContact NH1-OD1 2.87Å; R384-D395 IonicContact NH1-OD2 3.52Å; R384-D395 IonicContact NH2-OD1 3.14Å; R384-D395 PolarHBondContact NH2-OD1 3.21Å; R384-D395 IonicContact NH2-OD2 2.74Å; R384-D395 PolarHBondContact NH2-OD2 2.71Å
385V48Very low43.1Very low35 Ų3579 Ų7921%0.21240%0.396CS..Hα-helixtrans-69-30.9167.4168.90000108.1I381 Y401I381-V385 HydrophobicContact CG2-CG2 3.75Å; I381-V385 VanDerWaalsContact O-CB 3.27Å; I381-V385 WeakPolarHBondContact O-CB 3.16Å; I381-V385 WeakPolarHBondContact O-CG2 3.38Å; I381-V385 PolarHBondContact O-N 2.97Å; V385-Y401 HydrophobicContact CB-CE1 4.34Å; V385-Y401 HydrophobicContact CG1-CE1 3.75Å; V385-Y401 HydrophobicContact CG2-CD1 4.03Å; V385-Y401 HydrophobicContact CG2-CE1 3.54Å
386H49.7Very low42.8Very low19 Ų1985 Ų859%0.08841%0.408CS..Hα-helixtrans-103-28.5177.8-58.4-48.7000114.6T359 L367 A382 S388 E473 R482T359-H386 VanDerWaalsContact CG2-CE1 3.48Å; T359-H386 WeakPolarHBondContact CG2-CE1 3.17Å; L367-H386 VanDerWaalsContact CD1-NE2 3.31Å; L367-H386 WeakPolarHBondContact CD1-NE2 3.45Å; A382-H386 VanDerWaalsContact O-CB 3.31Å; A382-H386 WeakPolarHBondContact O-CB 3.45Å; A382-H386 PolarHBondContact O-CD2 3.09Å; A382-H386 PolarHBondContact O-N 3.4Å; H386-S388 PolarHBondContact O-N 2.84Å; H386-E473 HydrophobicContact CB-CB 3.93Å; H386-E473 IonicContact CD2-OE2 3.14Å; H386-E473 IonicContact CE1-OE2 3.52Å; H386-E473 IonicContact CG-OE2 2.98Å; H386-E473 IonicContact ND1-OE2 2.79Å; H386-E473 IonicContact NE2-OE2 2.73Å; H386-R482 VanDerWaalsContact O-CG 3.29Å; H386-R482 WeakPolarHBondContact O-CG 3.32Å
387S42.3Very low42.2Very low4 Ų480.5 Ų80.53%0.02839%0.391CS..SBendtrans-89.384.9162.185.30000105.5R383 R384 D389R383-S387 WeakPolarHBondContact O-CA 3.34Å; R383-S387 WeakPolarHBondContact O-CB 3.31Å; R383-S387 PolarHBondContact O-N 2.77Å; R383-S387 PolarHBondContact O-OG 2.63Å; R384-S387 CarbonylContact C-O 3.44Å; R384-S387 VanDerWaalsContact C-O 3.31Å; R384-S387 VanDerWaalsContact CA-O 3.3Å; R384-S387 WeakPolarHBondContact CA-O 3.42Å; R384-S387 CarbonylContact O-C 3.59Å; S387-D389 PolarHBondContact O-N 3.49Å; S387-D389 PolarHBondContact OG-OD2 2.88Å
388S44.2Very low41.8Very low23 Ų2378.6 Ų78.616%0.16138%0.38CS..  24.6-5.5111.9-67.90000122.4H386 Q481 R482 F485H386-S388 PolarHBondContact O-N 2.84Å; S388-Q481 WeakPolarHBondContact CB-O 3.36Å; S388-R482 VanDerWaalsContact OG-CA 3.31Å; S388-R482 WeakPolarHBondContact OG-CA 3.4Å; S388-F485 WeakPolarHBondContact O-CB 3.16Å; S388-F485 VanDerWaalsContact O-CD2 3.24Å; S388-F485 WeakPolarHBondContact O-CD2 3.47Å; S388-F485 VanDerWaalsContact OG-CB 3.25Å; S388-F485 WeakPolarHBondContact OG-CB 3.23Å
389D39Very low41.5Very low52 Ų5278.7 Ų78.728%0.27839%0.392SS..PPolyproline II helixtrans-69.3127.5165.9-72.6-35.9000109.8S387 Q481S387-D389 PolarHBondContact O-N 3.49Å; S387-D389 PolarHBondContact OG-OD2 2.88Å; D389-Q481 VanDerWaalsContact CG-NE2 3.28Å; D389-Q481 PolarHBondContact OD1-NE2 2.86Å; D389-Q481 PolarHBondContact OD2-NE2 3.35Å
390P40.4Very low41.3Very low98 Ų9879.8 Ų79.864%0.63639%0.394SS*.PPolyproline II helixtrans-60.8138.8162.923.8-29.2000109.3L392P390-L392 PolarHBondContact O-N 2.77Å
391P40.1Very low41.4Very low83 Ų8378.3 Ų78.354%0.53938%0.383SS..PPolyproline II helixtrans-60.6133.6-173.621.3-31.3000111.8L397P391-L397 HydrophobicContact CB-CD2 4.34Å; P391-L397 HydrophobicContact CG-CD2 4.38Å
392L38.7Very low41.5Very low91 Ų9180 Ų8048%0.47639%0.387SS..PPolyproline II helixtrans-81151.7169.5-68.1108000110.2R384 P390 K394 D395R384-L392 VanDerWaalsContact NH2-CD1 3.27Å; P390-L392 PolarHBondContact O-N 2.77Å; L392-K394 HydrophobicContact CB-CG 4.21Å; L392-K394 PolarHBondContact O-N 2.85Å; L392-D395 WeakPolarHBondContact CB-OD2 3.27Å; L392-D395 PolarHBondContact N-OD2 3.45Å; L392-D395 WeakPolarHBondContact O-CB 3.4Å; L392-D395 PolarHBondContact O-N 3.4Å
393K39.4Very low41.8Very low228 Ų22882.3 Ų82.399%0.99140%0.397SS*.THydrogen-bonded Turntrans-51.5-19177.9-74.5-172.5176.2-173.20115.9
394K35.8Very low42.3Very low168 Ų16879.4 Ų79.473%0.7339%0.392SS*.THydrogen-bonded Turntrans-95.4-9-179.465176.6-179.6176.60113.5L392 R396L392-K394 HydrophobicContact CB-CG 4.21Å; L392-K394 PolarHBondContact O-N 2.85Å; K394-R396 PolarHBondContact O-N 2.82Å
395D39.4Very low43Very low30 Ų3077.1 Ų77.116%0.1638%0.384CS..  trans-76.1116.9-179.1-59.8-24.1000106.9R384 L392 L397R384-D395 IonicContact CZ-OD1 3.43Å; R384-D395 IonicContact CZ-OD2 3.08Å; R384-D395 IonicContact NE-OD2 3.67Å; R384-D395 IonicContact NH1-OD1 2.81Å; R384-D395 PolarHBondContact NH1-OD1 2.87Å; R384-D395 IonicContact NH1-OD2 3.52Å; R384-D395 IonicContact NH2-OD1 3.14Å; R384-D395 PolarHBondContact NH2-OD1 3.21Å; R384-D395 IonicContact NH2-OD2 2.74Å; R384-D395 PolarHBondContact NH2-OD2 2.71Å; L392-D395 WeakPolarHBondContact CB-OD2 3.27Å; L392-D395 PolarHBondContact N-OD2 3.45Å; L392-D395 WeakPolarHBondContact O-CB 3.4Å; L392-D395 PolarHBondContact O-N 3.4Å; D395-L397 PolarHBondContact O-N 2.79Å
396R35.1Very low43.6Very low226 Ų22676.3 Ų76.385%0.85338%0.38SS*.  trans-7162.5163.1-64.3-171.3-167.7-160.74.9107.6K394 I398K394-R396 PolarHBondContact O-N 2.82Å; R396-I398 PolarHBondContact O-N 2.87Å; R396-I398 VanDerWaalsContact O-N 3.09Å
397L35.9Very low44.1Very low66 Ų6679.6 Ų79.635%0.34640%0.396SS..  trans-62.3113.1165.2-153.184.6000104.1P391 D395 P399 W402P391-L397 HydrophobicContact CB-CD2 4.34Å; P391-L397 HydrophobicContact CG-CD2 4.38Å; D395-L397 PolarHBondContact O-N 2.79Å; L397-P399 WeakPolarHBondContact O-CD 3.26Å; L397-W402 HydrophobicContact CD2-CE3 4.42Å; L397-W402 HydrophobicContact CD2-CZ3 4.42Å
398I35.7Very low45.2Very low67 Ų6780.4 Ų80.434%0.34440%0.4SS..  trans-57.1103.4165.8-71.6178000104.8W378 R396 E400 Y401W378-I398 HydrophobicContact CH2-CD1 4.18Å; W378-I398 HydrophobicContact CZ2-CD1 4.46Å; R396-I398 PolarHBondContact O-N 2.87Å; R396-I398 VanDerWaalsContact O-N 3.09Å; I398-E400 WeakPolarHBondContact CA-OE2 3.26Å; I398-E400 WeakPolarHBondContact CB-OE2 3.02Å; I398-E400 HydrophobicContact CG2-CB 3.53Å; I398-E400 HydrophobicContact CG2-CG 4.13Å; I398-E400 WeakPolarHBondContact CG2-OE2 3.35Å; I398-E400 PolarHBondContact O-N 3.42Å; I398-E400 VanDerWaalsContact O-N 3.08Å; I398-Y401 WeakPolarHBondContact O-CB 3.47Å; I398-Y401 PolarHBondContact O-N 2.85Å
399P35.8Very low46.2Very low87 Ų8779.3 Ų79.357%0.56539%0.393SS*.THydrogen-bonded Turntrans-54.5-25.5174.7-23.738.5000111L397 Y401 W402L397-P399 WeakPolarHBondContact O-CD 3.26Å; P399-Y401 PolarHBondContact O-N 3.42Å; P399-Y401 VanDerWaalsContact O-N 3.17Å; P399-W402 PolarHBondContact O-N 3.25Å
400E38.2Very low47.5Very low114 Ų11480.8 Ų80.853%0.53339%0.394SS..Hα-helixtrans-60.3-22.4175.8-47.781.9168.800113I398 D403 V404I398-E400 WeakPolarHBondContact CA-OE2 3.26Å; I398-E400 WeakPolarHBondContact CB-OE2 3.02Å; I398-E400 HydrophobicContact CG2-CB 3.53Å; I398-E400 HydrophobicContact CG2-CG 4.13Å; I398-E400 WeakPolarHBondContact CG2-OE2 3.35Å; I398-E400 PolarHBondContact O-N 3.42Å; I398-E400 VanDerWaalsContact O-N 3.08Å; E400-D403 PolarHBondContact O-N 2.96Å; E400-V404 WeakPolarHBondContact O-CB 3.29Å; E400-V404 WeakPolarHBondContact O-CG2 3.33Å; E400-V404 PolarHBondContact O-N 3.33Å
401Y49.2Very low48.7Very low17 Ų1780.8 Ų80.87%0.06739%0.388CS..Hα-helixtrans-70.4-33.9-179.8-158.8-92.5000113L362 V366 V385 I398 P399 Q405L362-Y401 HydrophobicContact CD1-CE1 3.82Å; V366-Y401 HydrophobicContact CG1-CE2 4.23Å; V385-Y401 HydrophobicContact CB-CE1 4.34Å; V385-Y401 HydrophobicContact CG1-CE1 3.75Å; V385-Y401 HydrophobicContact CG2-CD1 4.03Å; V385-Y401 HydrophobicContact CG2-CE1 3.54Å; I398-Y401 WeakPolarHBondContact O-CB 3.47Å; I398-Y401 PolarHBondContact O-N 2.85Å; P399-Y401 PolarHBondContact O-N 3.42Å; P399-Y401 VanDerWaalsContact O-N 3.17Å; Y401-Q405 PolarHBondContact O-N 3.36Å
402W50.3Low50Low68 Ų6879 Ų7926%0.25837%0.373SS..Hα-helixtrans-76.5-35.6174.8-114.9-95.3000111.8L397 P399 V404 Q405 H431L397-W402 HydrophobicContact CD2-CE3 4.42Å; L397-W402 HydrophobicContact CD2-CZ3 4.42Å; P399-W402 PolarHBondContact O-N 3.25Å; W402-V404 VanDerWaalsContact C-N 3.33Å; W402-Q405 WeakPolarHBondContact O-CB 3.16Å; W402-Q405 PolarHBondContact O-N 2.7Å; W402-H431 AromaticContact CD1-NE2 3.96Å; W402-H431 AromaticContact CE2-CE1 3.94Å; W402-H431 AromaticContact CE2-NE2 3.08Å; W402-H431 AromaticContact CZ2-CD2 3.64Å; W402-H431 AromaticContact CZ2-NE2 3.04Å; W402-H431 WeakPolarHBondContact CZ2-NE2 3.47Å; W402-H431 AromaticContact NE1-CD2 3.98Å; W402-H431 AromaticContact NE1-CE1 3.29Å; W402-H431 PolarHBondContact NE1-CE1 3.31Å; W402-H431 VanDerWaalsContact NE1-CE1 3.29Å; W402-H431 AromaticContact NE1-NE2 2.8Å; W402-H431 PolarHBondContact NE1-NE2 3.36Å
403D48.6Very low51.1Low72 Ų7275.1 Ų75.139%0.38535%0.353SS..Hα-helixtrans-66.6-36.2173.2-67.1-36.8000111.3E400 Q405 S406 E407E400-D403 PolarHBondContact O-N 2.96Å; D403-Q405 VanDerWaalsContact C-N 3.31Å; D403-Q405 PolarHBondContact O-N 3.5Å; D403-S406 WeakPolarHBondContact O-CB 3.34Å; D403-S406 PolarHBondContact O-N 3.23Å; D403-S406 VanDerWaalsContact O-N 3.12Å; D403-S406 PolarHBondContact O-OG 3.27Å; D403-E407 PolarHBondContact O-N 3.02Å
404V54.4Low52.4Low61 Ų6166.1 Ų66.137%0.3732%0.319SS..Hα-helixtrans-61.6-36.7173.3168.10000111.7L362 E400 W402 S406 E407 V408L362-V404 HydrophobicContact CD2-CG1 4.27Å; E400-V404 WeakPolarHBondContact O-CB 3.29Å; E400-V404 WeakPolarHBondContact O-CG2 3.33Å; E400-V404 PolarHBondContact O-N 3.33Å; W402-V404 VanDerWaalsContact C-N 3.33Å; V404-S406 VanDerWaalsContact C-N 3.26Å; V404-S406 PolarHBondContact O-N 2.87Å; V404-E407 PolarHBondContact O-N 3.36Å; V404-V408 HydrophobicContact CG1-CG2 3.81Å; V404-V408 VanDerWaalsContact O-CB 3.29Å; V404-V408 WeakPolarHBondContact O-CB 3.05Å; V404-V408 VanDerWaalsContact O-CG2 3.24Å; V404-V408 WeakPolarHBondContact O-CG2 3.17Å; V404-V408 PolarHBondContact O-N 3.14Å
405Q62.1Low53.9Low10 Ų1063 Ų635%0.04731%0.31CS..Hα-helixtrans-58.4-41.8174.6-74.8171.125.700111.2V358 L362 Y401 W402 D403 E407 I409 F428V358-Q405 HydrophobicContact CG1-CG 4.12Å; L362-Q405 HydrophobicContact CD1-CG 3.67Å; Y401-Q405 PolarHBondContact O-N 3.36Å; W402-Q405 WeakPolarHBondContact O-CB 3.16Å; W402-Q405 PolarHBondContact O-N 2.7Å; D403-Q405 VanDerWaalsContact C-N 3.31Å; D403-Q405 PolarHBondContact O-N 3.5Å; Q405-E407 PolarHBondContact O-N 2.73Å; Q405-I409 HydrophobicContact CB-CD1 4.45Å; Q405-I409 WeakPolarHBondContact O-CB 3.29Å; Q405-I409 VanDerWaalsContact O-CD1 3.25Å; Q405-I409 WeakPolarHBondContact O-CD1 3.44Å; Q405-I409 WeakPolarHBondContact O-CG1 2.99Å; Q405-I409 PolarHBondContact O-N 3.05Å; Q405-F428 HydrophobicContact CB-CE2 4.42Å
406S60.6Low55.1Low19 Ų1963 Ų6313%0.13331%0.31CS..Hα-helixtrans-62.1-44178.282.40000112.1D403 V404 R410D403-S406 WeakPolarHBondContact O-CB 3.34Å; D403-S406 PolarHBondContact O-N 3.23Å; D403-S406 VanDerWaalsContact O-N 3.12Å; D403-S406 PolarHBondContact O-OG 3.27Å; V404-S406 VanDerWaalsContact C-N 3.26Å; V404-S406 PolarHBondContact O-N 2.87Å; S406-R410 VanDerWaalsContact O-CB 3.23Å; S406-R410 WeakPolarHBondContact O-CB 3.49Å; S406-R410 PolarHBondContact O-N 3.27Å
407E60.4Low56.5Low87 Ų8752.5 Ų52.541%0.40727%0.272SS..Hα-helixtrans-66.4-48.7179.6-174.964.1-148.300111.2D403 V404 Q405 R410 L411D403-E407 PolarHBondContact O-N 3.02Å; V404-E407 PolarHBondContact O-N 3.36Å; Q405-E407 PolarHBondContact O-N 2.73Å; E407-R410 PolarHBondContact O-N 3.4Å; E407-R410 IonicContact OE1-CZ 3.06Å; E407-R410 IonicContact OE1-NH1 3.21Å; E407-R410 IonicContact OE1-NH2 3.17Å; E407-R410 PolarHBondContact OE1-NH2 3.07Å; E407-R410 IonicContact OE2-CZ 3.62Å; E407-R410 IonicContact OE2-NH1 2.69Å; E407-R410 PolarHBondContact OE2-NH1 3.28Å; E407-R410 IonicContact OE2-NH2 2.76Å; E407-R410 PolarHBondContact OE2-NH2 3.46Å; E407-L411 WeakPolarHBondContact O-CB 3.46Å; E407-L411 PolarHBondContact O-N 2.81Å
408V66.5Low57.9Low21 Ų2150.7 Ų50.713%0.12727%0.269CS..Hα-helixtrans-59.4-49.8177.1164.60000110.2F356 F361 L362 V404 R410 L411 E412F356-V408 HydrophobicContact CZ-CG1 3.83Å; F361-V408 HydrophobicContact CD1-CG1 3.42Å; F361-V408 VanDerWaalsContact CD1-CG1 3.42Å; F361-V408 HydrophobicContact CD1-CG2 4.4Å; F361-V408 HydrophobicContact CE1-CB 4.25Å; F361-V408 HydrophobicContact CE1-CG1 3.37Å; F361-V408 HydrophobicContact CE1-CG2 3.8Å; F361-V408 HydrophobicContact CG-CG1 4.19Å; F361-V408 HydrophobicContact CZ-CG1 4.1Å; L362-V408 HydrophobicContact CD2-CG2 4.49Å; V404-V408 HydrophobicContact CG1-CG2 3.81Å; V404-V408 VanDerWaalsContact O-CB 3.29Å; V404-V408 WeakPolarHBondContact O-CB 3.05Å; V404-V408 VanDerWaalsContact O-CG2 3.24Å; V404-V408 WeakPolarHBondContact O-CG2 3.17Å; V404-V408 PolarHBondContact O-N 3.14Å; V408-R410 VanDerWaalsContact C-N 3.31Å; V408-R410 PolarHBondContact O-N 2.9Å; V408-L411 PolarHBondContact O-N 3.26Å; V408-E412 WeakPolarHBondContact O-CB 2.97Å; V408-E412 PolarHBondContact O-N 2.76Å
409I65.5Low59.6Low0 Ų055.2 Ų55.20%029%0.294CS..Hα-helixtrans-66.7-37.1-179.5-59.3158.4000110.1F356 V358 Q405 S413 F428 I442F356-I409 HydrophobicContact CE1-CG1 3.99Å; V358-I409 HydrophobicContact CG1-CD1 4.19Å; V358-I409 HydrophobicContact CG1-CG1 4.15Å; V358-I409 HydrophobicContact CG2-CD1 3.95Å; V358-I409 HydrophobicContact CG2-CG1 3.83Å; Q405-I409 HydrophobicContact CB-CD1 4.45Å; Q405-I409 WeakPolarHBondContact O-CB 3.29Å; Q405-I409 VanDerWaalsContact O-CD1 3.25Å; Q405-I409 WeakPolarHBondContact O-CD1 3.44Å; Q405-I409 WeakPolarHBondContact O-CG1 2.99Å; Q405-I409 PolarHBondContact O-N 3.05Å; I409-S413 WeakPolarHBondContact CG2-OG 3.33Å; I409-S413 WeakPolarHBondContact O-CA 3.37Å; I409-S413 WeakPolarHBondContact O-CB 3.31Å; I409-S413 PolarHBondContact O-N 3.01Å; I409-S413 PolarHBondContact O-OG 3.32Å; I409-F428 HydrophobicContact CD1-CD1 3.51Å; I409-F428 HydrophobicContact CD1-CD2 3.9Å; I409-F428 HydrophobicContact CD1-CE1 3.2Å; I409-F428 HydrophobicContact CD1-CE2 3.6Å; I409-F428 HydrophobicContact CD1-CG 3.86Å; I409-F428 HydrophobicContact CD1-CZ 3.25Å; I409-I442 HydrophobicContact CB-CD1 4.04Å; I409-I442 HydrophobicContact CG2-CD1 3.2Å; I409-I442 HydrophobicContact CG2-CG1 4.33Å
410R65.6Low61.9Low83 Ų8352.2 Ų52.231%0.31328%0.275SS..Hα-helixtrans-64.1-50.7176.9-170.5-17876.5-113.24.7111.7S406 E407 V408 E412 S414S406-R410 VanDerWaalsContact O-CB 3.23Å; S406-R410 WeakPolarHBondContact O-CB 3.49Å; S406-R410 PolarHBondContact O-N 3.27Å; E407-R410 PolarHBondContact O-N 3.4Å; E407-R410 IonicContact OE1-CZ 3.06Å; E407-R410 IonicContact OE1-NH1 3.21Å; E407-R410 IonicContact OE1-NH2 3.17Å; E407-R410 PolarHBondContact OE1-NH2 3.07Å; E407-R410 IonicContact OE2-CZ 3.62Å; E407-R410 IonicContact OE2-NH1 2.69Å; E407-R410 PolarHBondContact OE2-NH1 3.28Å; E407-R410 IonicContact OE2-NH2 2.76Å; E407-R410 PolarHBondContact OE2-NH2 3.46Å; V408-R410 VanDerWaalsContact C-N 3.31Å; V408-R410 PolarHBondContact O-N 2.9Å; R410-E412 VanDerWaalsContact C-N 3.34Å; R410-E412 PolarHBondContact O-N 3.32Å; R410-S414 WeakPolarHBondContact O-CB 3.38Å; R410-S414 PolarHBondContact O-N 3.11Å; R410-S414 PolarHBondContact O-OG 3.42Å
411L66.4Low64.3Low98 Ų9850.4 Ų50.451%0.51326%0.263SS..Hα-helixtrans-61.4-45.4179.2-177.462.8000110.6E407 V408 S414 N415E407-L411 WeakPolarHBondContact O-CB 3.46Å; E407-L411 PolarHBondContact O-N 2.81Å; V408-L411 PolarHBondContact O-N 3.26Å; L411-S414 WeakPolarHBondContact O-CB 3.43Å; L411-S414 PolarHBondContact O-N 3.42Å; L411-N415 VanDerWaalsContact O-CG 3.31Å; L411-N415 PolarHBondContact O-N 2.95Å; L411-N415 PolarHBondContact O-ND2 2.71Å
412E65.5Low66.4Low47 Ų4749.6 Ų49.622%0.2226%0.26CS..Hα-helixtrans-80-33.5-174.1-147.651.8-176.200112.3F356 V408 R410 S414 N415 L416F356-E412 HydrophobicContact CD2-CG 3.91Å; F356-E412 HydrophobicContact CE1-CB 4.45Å; F356-E412 HydrophobicContact CE2-CB 4.05Å; F356-E412 HydrophobicContact CE2-CG 3.49Å; F356-E412 VanDerWaalsContact CE2-CG 3.49Å; F356-E412 HydrophobicContact CZ-CB 3.98Å; F356-E412 HydrophobicContact CZ-CG 3.94Å; V408-E412 WeakPolarHBondContact O-CB 2.97Å; V408-E412 PolarHBondContact O-N 2.76Å; R410-E412 VanDerWaalsContact C-N 3.34Å; R410-E412 PolarHBondContact O-N 3.32Å; E412-S414 PolarHBondContact O-N 3.29Å; E412-N415 PolarHBondContact O-N 3.38Å; E412-N415 VanDerWaalsContact O-N 3.17Å; E412-N415 PolarHBondContact OE2-ND2 2.76Å; E412-L416 HydrophobicContact CG-CD1 3.74Å; E412-L416 WeakPolarHBondContact O-CB 3.05Å; E412-L416 VanDerWaalsContact O-CD1 3.26Å; E412-L416 WeakPolarHBondContact O-CD1 3.49Å; E412-L416 PolarHBondContact O-N 3.23Å
413S63.7Low68.3Low8 Ų846.6 Ų46.66%0.05625%0.249CC..Hα-helixtrans-59.9-39.4165.8-61.90000110.6I409 N415 A417I409-S413 WeakPolarHBondContact CG2-OG 3.33Å; I409-S413 WeakPolarHBondContact O-CA 3.37Å; I409-S413 WeakPolarHBondContact O-CB 3.31Å; I409-S413 PolarHBondContact O-N 3.01Å; I409-S413 PolarHBondContact O-OG 3.32Å; S413-N415 VanDerWaalsContact C-N 3.33Å; S413-N415 PolarHBondContact O-N 2.9Å; S413-A417 WeakPolarHBondContact O-CB 3.33Å; S413-A417 PolarHBondContact O-N 3.38Å
414S66.3Low70.4Confident39 Ų3943.2 Ų43.227%0.27323%0.231SC..Hα-helixtrans-64.3-39.5175.8-55.40000111.6Y324 R410 L411 E412Y324-S414 VanDerWaalsContact CD2-O 3.23Å; Y324-S414 WeakPolarHBondContact CD2-O 3.34Å; Y324-S414 WeakPolarHBondContact CE2-O 3.35Å; R410-S414 WeakPolarHBondContact O-CB 3.38Å; R410-S414 PolarHBondContact O-N 3.11Å; R410-S414 PolarHBondContact O-OG 3.42Å; L411-S414 WeakPolarHBondContact O-CB 3.43Å; L411-S414 PolarHBondContact O-N 3.42Å; E412-S414 PolarHBondContact O-N 3.29Å
415N67.8Low72.1Confident102 Ų10240.3 Ų40.355%0.54521%0.213SC..Hα-helixtrans-71.6-45.6177.7-68.1-27.6000113.2L411 E412 S413L411-N415 VanDerWaalsContact O-CG 3.31Å; L411-N415 PolarHBondContact O-N 2.95Å; L411-N415 PolarHBondContact O-ND2 2.71Å; E412-N415 PolarHBondContact O-N 3.38Å; E412-N415 VanDerWaalsContact O-N 3.17Å; E412-N415 PolarHBondContact OE2-ND2 2.76Å; S413-N415 VanDerWaalsContact C-N 3.33Å; S413-N415 PolarHBondContact O-N 2.9Å
416L63.4Low73.4Confident31 Ų3140 Ų4016%0.16221%0.212CC..Hα-helixtrans-73.2-42.2-176.8-91.168.2000111.8A354 F356 E412 G418 S420 V423A354-L416 HydrophobicContact CB-CB 4.15Å; A354-L416 HydrophobicContact CB-CD2 3.82Å; A354-L416 HydrophobicContact CB-CG 3.95Å; F356-L416 HydrophobicContact CB-CD2 3.77Å; F356-L416 HydrophobicContact CG-CD2 4.43Å; E412-L416 HydrophobicContact CG-CD1 3.74Å; E412-L416 WeakPolarHBondContact O-CB 3.05Å; E412-L416 VanDerWaalsContact O-CD1 3.26Å; E412-L416 WeakPolarHBondContact O-CD1 3.49Å; E412-L416 PolarHBondContact O-N 3.23Å; L416-G418 VanDerWaalsContact C-N 3.32Å; L416-G418 PolarHBondContact O-N 3.11Å; L416-S420 VanDerWaalsContact O-CB 3.26Å; L416-S420 WeakPolarHBondContact O-CB 3.17Å; L416-S420 PolarHBondContact O-OG 3.12Å; L416-V423 HydrophobicContact CB-CG2 4.22Å; L416-V423 HydrophobicContact CD2-CG1 4.18Å
417A64.3Low74.3Confident6 Ų639.4 Ų39.45%0.0521%0.209CC..Hα-helixtrans-74.7-20.9-168.600000113.7Y324 C326 S413 N419 S420 V423Y324-A417 HydrophobicContact CD2-CB 4.23Å; Y324-A417 HydrophobicContact CG-CB 4.11Å; C326-A417 WeakPolarHBondContact SG-CB 3.36Å; S413-A417 WeakPolarHBondContact O-CB 3.33Å; S413-A417 PolarHBondContact O-N 3.38Å; A417-N419 PolarHBondContact O-N 3.41Å; A417-N419 VanDerWaalsContact O-N 3.13Å; A417-S420 PolarHBondContact O-N 3.17Å; A417-V423 HydrophobicContact CB-CG2 4.42Å
418G66.3Low75.4Confident28 Ų2835.4 Ų35.429%0.28919%0.19SC..THydrogen-bonded Turntrans-57.2-31-175.700000115L416L416-G418 VanDerWaalsContact C-N 3.32Å; L416-G418 PolarHBondContact O-N 3.11Å
419N70.7Confident76.4Confident161 Ų16134.4 Ų34.486%0.86118%0.184SC*.THydrogen-bonded Turntrans-129.110.4-179.1-72.4-27.2000113.6A417A417-N419 PolarHBondContact O-N 3.41Å; A417-N419 VanDerWaalsContact O-N 3.13Å
420S84.4Confident77.3Confident24 Ų2435.2 Ų35.217%0.16819%0.19CC..  trans-96137.2-175.8-64.30000111.7C326 G352 A354 L416 A417 A422C326-S420 WeakPolarHBondContact CB-O 3.27Å; G352-S420 CarbonylContact O-C 3.54Å; G352-S420 VanDerWaalsContact O-CA 3.29Å; G352-S420 WeakPolarHBondContact O-CA 3.41Å; G352-S420 WeakPolarHBondContact O-CB 3.36Å; A354-S420 WeakPolarHBondContact CB-OG 3.48Å; L416-S420 VanDerWaalsContact O-CB 3.26Å; L416-S420 WeakPolarHBondContact O-CB 3.17Å; L416-S420 PolarHBondContact O-OG 3.12Å; A417-S420 PolarHBondContact O-N 3.17Å; S420-A422 VanDerWaalsContact C-N 3.29Å
421R89.3Confident77.9Confident77 Ų7733 Ų3329%0.29118%0.182SC..SBendtrans-64.4-35.7169.9-172.4-173.5-178-159.93.3111.4P327 G352 L527 E531P327-R421 WeakPolarHBondContact CD-O 3.47Å; G352-R421 WeakPolarHBondContact O-CB 3.41Å; G352-R421 PolarHBondContact O-N 3.36Å; R421-L527 HydrophobicContact CG-CD2 4.33Å; R421-L527 VanDerWaalsContact NH1-CD1 3.34Å; R421-E531 IonicContact CZ-OE1 2.7Å; R421-E531 IonicContact CZ-OE2 3.53Å; R421-E531 IonicContact NE-OE1 2.84Å; R421-E531 PolarHBondContact NE-OE1 3.4Å; R421-E531 IonicContact NE-OE2 2.68Å; R421-E531 IonicContact NH2-OE1 2.76Å; R421-E531 PolarHBondContact NH2-OE1 3.44Å; R421-E531 IonicContact NH2-OE2 2.85Å; R421-E531 PolarHBondContact NH2-OE2 2.85Å
422A91.3Very high78.5Confident0 Ų032.2 Ų32.20%018%0.176CC..EExtended strand (participates in β ladder)trans-162.3160170.600000109.5P327 I329 L353 A354 S420 L527P327-A422 HydrophobicContact CB-CB 4.15Å; P327-A422 WeakPolarHBondContact O-CA 3.28Å; I329-A422 HydrophobicContact CD1-CB 4.2Å; L353-A422 WeakPolarHBondContact CA-O 3.5Å; A354-A422 PolarHBondContact N-O 3.25Å; S420-A422 VanDerWaalsContact C-N 3.29Å; A422-L527 HydrophobicContact CB-CD2 3.79Å
423V90.8Very high78.9Confident4 Ų431.5 Ų31.52%0.02418%0.181CC..EExtended strand (participates in β ladder)trans-117.6125.7176.3178.10000109.6C326 P327 I329 A354 L416 A417 I425C326-V423 VanDerWaalsContact SG-CG2 3.57Å; P327-V423 PolarHBondContact O-N 3.09Å; I329-V423 PolarHBondContact N-O 3.43Å; A354-V423 HydrophobicContact CB-CG2 4.28Å; A354-V423 CarbonylContact O-C 3.49Å; A354-V423 WeakPolarHBondContact O-CA 3.46Å; L416-V423 HydrophobicContact CB-CG2 4.22Å; L416-V423 HydrophobicContact CD2-CG1 4.18Å; A417-V423 HydrophobicContact CB-CG2 4.42Å; V423-I425 HydrophobicContact CG1-CG1 4.03Å
424I93.1Very high79.7Confident1 Ų131.8 Ų31.81%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-90.3120.8168.9-61.3174.7000108.3I329 L331 A343 L346 L353 A354 Y355 F356I329-I424 HydrophobicContact CB-CG1 4.35Å; I329-I424 CarbonylContact O-C 3.53Å; I329-I424 VanDerWaalsContact O-CA 3.28Å; I329-I424 WeakPolarHBondContact O-CA 3.12Å; L331-I424 HydrophobicContact CB-CG2 3.92Å; A343-I424 HydrophobicContact CB-CG2 4.17Å; L346-I424 HydrophobicContact CB-CD1 4.02Å; L346-I424 HydrophobicContact CD1-CD1 3.93Å; L353-I424 HydrophobicContact CD2-CD1 4.04Å; A354-I424 PolarHBondContact O-N 3.37Å; Y355-I424 WeakPolarHBondContact CA-O 3.49Å; Y355-I424 HydrophobicContact CD2-CG2 4.35Å; F356-I424 PolarHBondContact N-O 3.5Å
425I90.7Very high80.6Confident0 Ų030 Ų300%017%0.169CC..EExtended strand (participates in β ladder)trans-106115.3171.6-57.2178.3000108.2I328 I329 L330 L331 F356 V358 V423 F428 F438I328-I425 HydrophobicContact CG2-CD1 3.86Å; I328-I425 HydrophobicContact CG2-CG1 4.34Å; I329-I425 PolarHBondContact O-N 3.41Å; L330-I425 WeakPolarHBondContact CA-O 3.38Å; L330-I425 HydrophobicContact CD2-CB 3.86Å; L330-I425 HydrophobicContact CD2-CD1 4.4Å; L330-I425 HydrophobicContact CD2-CG2 4.41Å; L331-I425 PolarHBondContact N-O 2.9Å; F356-I425 CarbonylContact O-C 3.47Å; F356-I425 WeakPolarHBondContact O-CA 3.47Å; V358-I425 HydrophobicContact CG2-CG2 4.31Å; V423-I425 HydrophobicContact CG1-CG1 4.03Å; I425-F428 HydrophobicContact CG2-CB 3.96Å; I425-F438 HydrophobicContact CD1-CE2 4.1Å
426E89.5Confident81.1Confident5 Ų526 Ų262%0.02315%0.148CC..EExtended strand (participates in β ladder)trans-85.6131.2176.2-176.7-170.6163.200111.1R339 T340 Y355 F356 N357 F428R339-E426 HydrophobicContact CB-CG 3.88Å; R339-E426 WeakPolarHBondContact CB-OE1 3.45Å; R339-E426 IonicContact CZ-OE1 2.69Å; R339-E426 IonicContact NE-OE1 3.87Å; R339-E426 PolarHBondContact NE-OE1 3.43Å; R339-E426 IonicContact NH2-OE1 3.81Å; R339-E426 PolarHBondContact NH2-OE1 3.47Å; T340-E426 VanDerWaalsContact CA-OE2 3.23Å; T340-E426 WeakPolarHBondContact CA-OE2 3.47Å; T340-E426 WeakPolarHBondContact CB-OE2 3.3Å; T340-E426 PolarHBondContact N-OE2 3.4Å; T340-E426 VanDerWaalsContact OG1-CD 3.27Å; T340-E426 PolarHBondContact OG1-OE1 3.45Å; T340-E426 VanDerWaalsContact OG1-OE1 3.1Å; T340-E426 PolarHBondContact OG1-OE2 3.18Å; Y355-E426 HydrophobicContact CE2-CB 3.85Å; Y355-E426 PolarHBondContact OH-OE2 3.08Å; F356-E426 PolarHBondContact O-N 3.08Å; N357-E426 HydrophobicContact CB-CB 4.13Å; N357-E426 PolarHBondContact ND2-OE2 2.92Å; E426-F428 VanDerWaalsContact C-N 3.26Å; E426-F428 PolarHBondContact O-N 3.28Å
427G78.8Confident81.7Confident6 Ų625.9 Ų25.96%0.06215%0.149CC..SBendtrans64.728.2163.300000114.2L331 C430L331-G427 PolarHBondContact O-N 3.26Å; L331-G427 VanDerWaalsContact O-N 3.1Å; G427-C430 PolarHBondContact O-SG 3.48Å
428F84.4Confident82.5Confident3 Ų325.7 Ų25.71%0.01315%0.146CC..  trans-149.1139.1172.8-173.1-85.8000110.5L330 V358 Q405 I409 I425 E426 Q434 F438L330-F428 WeakPolarHBondContact CD2-O 3.25Å; V358-F428 HydrophobicContact CB-CB 4.39Å; V358-F428 HydrophobicContact CG1-CD2 4.46Å; V358-F428 HydrophobicContact CG2-CB 3.63Å; V358-F428 HydrophobicContact CG2-CD2 4.24Å; V358-F428 HydrophobicContact CG2-CG 3.92Å; Q405-F428 HydrophobicContact CB-CE2 4.42Å; I409-F428 HydrophobicContact CD1-CD1 3.51Å; I409-F428 HydrophobicContact CD1-CD2 3.9Å; I409-F428 HydrophobicContact CD1-CE1 3.2Å; I409-F428 HydrophobicContact CD1-CE2 3.6Å; I409-F428 HydrophobicContact CD1-CG 3.86Å; I409-F428 HydrophobicContact CD1-CZ 3.25Å; I425-F428 HydrophobicContact CG2-CB 3.96Å; E426-F428 VanDerWaalsContact C-N 3.26Å; E426-F428 PolarHBondContact O-N 3.28Å; F428-Q434 HydrophobicContact CD2-CB 4.31Å; F428-Q434 HydrophobicContact CD2-CG 4.18Å; F428-Q434 HydrophobicContact CE2-CB 3.63Å; F428-Q434 HydrophobicContact CE2-CG 3.48Å; F428-Q434 VanDerWaalsContact CE2-CG 3.48Å; F428-Q434 HydrophobicContact CZ-CB 3.78Å; F428-Q434 HydrophobicContact CZ-CG 4.07Å; F428-F438 AromaticContact CD1-CD2 3.84Å; F428-F438 HydrophobicContact CD1-CD2 3.84Å; F428-F438 HydrophobicContact CE1-CB 3.94Å; F428-F438 AromaticContact CE1-CD2 3.69Å; F428-F438 HydrophobicContact CE1-CD2 3.69Å; F428-F438 HydrophobicContact CE1-CG 4.3Å
429P86.5Confident83.3Confident0 Ų024.8 Ų24.80%014%0.135CC..  cis-73.1143.6-10.429.6-33.3000112.3Q434 L435 F438 V493 Y497P429-Q434 HydrophobicContact CB-CB 3.55Å; P429-L435 HydrophobicContact CB-CB 4.23Å; P429-L435 HydrophobicContact CG-CB 4.23Å; P429-L435 HydrophobicContact CG-CD1 4.09Å; P429-F438 HydrophobicContact CG-CB 4.24Å; P429-F438 HydrophobicContact CG-CG 4.42Å; P429-V493 HydrophobicContact CB-CG1 4.46Å; P429-V493 HydrophobicContact CG-CG1 4.01Å; P429-Y497 HydrophobicContact CG-CE2 4.19Å; P429-Y497 WeakPolarHBondContact CG-OH 3.44Å
430C83.7Confident83.7Confident17 Ų1718.3 Ų18.312%0.11510%0.1CC..  trans-109.5-4.2179-79.90000114.6G427 F485 C489 T490G427-C430 PolarHBondContact O-SG 3.48Å; C430-F485 HydrophobicContact CB-CE1 4.09Å; C430-C489 CarbonylContact O-C 3.52Å; C430-T490 HydrophobicContact CB-CG2 4.32Å; C430-T490 WeakPolarHBondContact O-CA 3.5Å; C430-T490 WeakPolarHBondContact O-CB 3.21Å; C430-T490 PolarHBondContact O-N 3.15Å; C430-T490 PolarHBondContact O-OG1 3.31Å
431H79.4Confident83.2Confident35 Ų3518.4 Ų18.416%0.16210%0.1CC..SBendtrans-153.5172.2172.473.463.2000111.7W402 G433 Q434 L435 F485 C489 V493W402-H431 AromaticContact CD1-NE2 3.96Å; W402-H431 AromaticContact CE2-CE1 3.94Å; W402-H431 AromaticContact CE2-NE2 3.08Å; W402-H431 AromaticContact CZ2-CD2 3.64Å; W402-H431 AromaticContact CZ2-NE2 3.04Å; W402-H431 WeakPolarHBondContact CZ2-NE2 3.47Å; W402-H431 AromaticContact NE1-CD2 3.98Å; W402-H431 AromaticContact NE1-CE1 3.29Å; W402-H431 PolarHBondContact NE1-CE1 3.31Å; W402-H431 VanDerWaalsContact NE1-CE1 3.29Å; W402-H431 AromaticContact NE1-NE2 2.8Å; W402-H431 PolarHBondContact NE1-NE2 3.36Å; H431-G433 VanDerWaalsContact CE1-CA 3.46Å; H431-G433 WeakPolarHBondContact CE1-CA 3.41Å; H431-G433 PolarHBondContact CE1-N 2.8Å; H431-G433 WeakPolarHBondContact ND1-CA 3.29Å; H431-G433 PolarHBondContact ND1-N 2.86Å; H431-G433 PolarHBondContact O-N 2.97Å; H431-Q434 PolarHBondContact CE1-N 3.22Å; H431-Q434 PolarHBondContact ND1-N 3.37Å; H431-Q434 VanDerWaalsContact ND1-N 3.19Å; H431-Q434 PolarHBondContact O-N 3.43Å; H431-Q434 VanDerWaalsContact O-N 3.1Å; H431-L435 PolarHBondContact O-N 3.06Å; H431-F485 HydrophobicContact CB-CZ 4.29Å; H431-C489 HydrophobicContact CB-CB 4Å; H431-V493 VanDerWaalsContact CA-CG2 3.46Å
432E78Confident82.6Confident83 Ų8314.9 Ų14.939%0.3889%0.087SC..Hα-helixtrans-58-47.3-173.2-171-174.7172.100114.5I310 Q434 L435 N436I310-E432 HydrophobicContact CB-CG 4.3Å; I310-E432 HydrophobicContact CD1-CB 4.37Å; I310-E432 HydrophobicContact CD1-CG 4.39Å; I310-E432 HydrophobicContact CG2-CB 4.46Å; I310-E432 HydrophobicContact CG2-CG 4.39Å; E432-Q434 PolarHBondContact O-N 3.21Å; E432-L435 WeakPolarHBondContact O-CB 3.33Å; E432-L435 PolarHBondContact O-N 3.05Å; E432-N436 PolarHBondContact O-N 3.27Å; E432-N436 PolarHBondContact O-ND2 3.01Å
433G75.5Confident82Confident31 Ų3114.9 Ų14.932%0.329%0.087SC..Hα-helixtrans-56.1-42.1173.100000114.5H431 L435 N436 T437H431-G433 VanDerWaalsContact CE1-CA 3.46Å; H431-G433 WeakPolarHBondContact CE1-CA 3.41Å; H431-G433 PolarHBondContact CE1-N 2.8Å; H431-G433 WeakPolarHBondContact ND1-CA 3.29Å; H431-G433 PolarHBondContact ND1-N 2.86Å; H431-G433 PolarHBondContact O-N 2.97Å; G433-L435 VanDerWaalsContact C-N 3.35Å; G433-N436 WeakPolarHBondContact O-CB 3.48Å; G433-N436 PolarHBondContact O-N 3.29Å; G433-T437 PolarHBondContact O-N 3.48Å; G433-T437 PolarHBondContact O-OG1 2.93Å; G433-T437 VanDerWaalsContact O-OG1 3.14Å
434Q79.9Confident81.5Confident15 Ų1515 Ų157%0.079%0.089CC..Hα-helixtrans-67.5-37.6175.2-71.5173.7-19.600111.5F428 P429 H431 E432 N436 T437 F438F428-Q434 HydrophobicContact CD2-CB 4.31Å; F428-Q434 HydrophobicContact CD2-CG 4.18Å; F428-Q434 HydrophobicContact CE2-CB 3.63Å; F428-Q434 HydrophobicContact CE2-CG 3.48Å; F428-Q434 VanDerWaalsContact CE2-CG 3.48Å; F428-Q434 HydrophobicContact CZ-CB 3.78Å; F428-Q434 HydrophobicContact CZ-CG 4.07Å; P429-Q434 HydrophobicContact CB-CB 3.55Å; H431-Q434 PolarHBondContact CE1-N 3.22Å; H431-Q434 PolarHBondContact ND1-N 3.37Å; H431-Q434 VanDerWaalsContact ND1-N 3.19Å; H431-Q434 PolarHBondContact O-N 3.43Å; H431-Q434 VanDerWaalsContact O-N 3.1Å; E432-Q434 PolarHBondContact O-N 3.21Å; Q434-N436 VanDerWaalsContact C-N 3.34Å; Q434-T437 PolarHBondContact O-N 3.49Å; Q434-F438 VanDerWaalsContact O-CB 3.3Å; Q434-F438 WeakPolarHBondContact O-CB 3.18Å; Q434-F438 PolarHBondContact O-N 3.13Å
435L84.1Confident81.3Confident0 Ų015 Ų150%09%0.089CC..Hα-helixtrans-61-44.8174.8173.964.7000111I310 P312 P429 H431 E432 G433 T437 F438 N439 V493 Y496 Y497I310-L435 HydrophobicContact CD1-CD2 3.49Å; I310-L435 VanDerWaalsContact CD1-CD2 3.49Å; I310-L435 HydrophobicContact CG1-CD2 4.36Å; P312-L435 HydrophobicContact CB-CD2 4.03Å; P312-L435 HydrophobicContact CB-CG 4.24Å; P312-L435 HydrophobicContact CG-CD2 4.07Å; P429-L435 HydrophobicContact CB-CB 4.23Å; P429-L435 HydrophobicContact CG-CB 4.23Å; P429-L435 HydrophobicContact CG-CD1 4.09Å; H431-L435 PolarHBondContact O-N 3.06Å; E432-L435 WeakPolarHBondContact O-CB 3.33Å; E432-L435 PolarHBondContact O-N 3.05Å; G433-L435 VanDerWaalsContact C-N 3.35Å; L435-T437 VanDerWaalsContact C-N 3.35Å; L435-T437 PolarHBondContact O-N 3.28Å; L435-F438 PolarHBondContact O-N 3.09Å; L435-N439 WeakPolarHBondContact O-CB 3.28Å; L435-N439 VanDerWaalsContact O-CG 3.25Å; L435-N439 PolarHBondContact O-N 2.81Å; L435-V493 HydrophobicContact CB-CG1 4.43Å; L435-V493 HydrophobicContact CB-CG2 4.44Å; L435-V493 HydrophobicContact CD2-CG1 4.48Å; L435-Y496 HydrophobicContact CD1-CD1 3.89Å; L435-Y496 HydrophobicContact CD1-CE1 3.8Å; L435-Y496 HydrophobicContact CD2-CD1 3.6Å; L435-Y496 HydrophobicContact CD2-CD2 4.28Å; L435-Y496 HydrophobicContact CD2-CE1 3.98Å; L435-Y496 HydrophobicContact CD2-CG 3.77Å; L435-Y496 HydrophobicContact CG-CD1 4.37Å; L435-Y496 HydrophobicContact CG-CE1 4.4Å; L435-Y497 HydrophobicContact CD1-CE1 4.39Å; L435-Y497 HydrophobicContact CD1-CE2 4.2Å; L435-Y497 VanDerWaalsContact CD1-OH 3.22Å; L435-Y497 WeakPolarHBondContact CD1-OH 3.35Å
436N79.9Confident81.3Confident20 Ų2016.2 Ų16.211%0.10710%0.095CC..Hα-helixtrans-57.5-48.4175.1-78.7-43.3000111.5P312 V313 F314 E432 G433 Q434 N439 Q440P312-N436 VanDerWaalsContact C-OD1 3.31Å; P312-N436 VanDerWaalsContact CA-OD1 3.25Å; P312-N436 WeakPolarHBondContact CA-OD1 3.18Å; P312-N436 WeakPolarHBondContact CB-OD1 3.39Å; V313-N436 PolarHBondContact N-OD1 3.48Å; F314-N436 HydrophobicContact CD2-CB 3.98Å; F314-N436 PolarHBondContact N-OD1 3.04Å; E432-N436 PolarHBondContact O-N 3.27Å; E432-N436 PolarHBondContact O-ND2 3.01Å; G433-N436 WeakPolarHBondContact O-CB 3.48Å; G433-N436 PolarHBondContact O-N 3.29Å; Q434-N436 VanDerWaalsContact C-N 3.34Å; N436-N439 PolarHBondContact O-N 2.88Å; N436-Q440 VanDerWaalsContact O-CB 3.25Å; N436-Q440 WeakPolarHBondContact O-CB 3.42Å; N436-Q440 PolarHBondContact O-N 3.36Å
437T74.2Confident81.5Confident28 Ų2816.1 Ų16.117%0.17210%0.095CC..Hα-helixtrans-63.4-43.2176.4-600000112.2G433 Q434 L435 Q440 C441G433-T437 PolarHBondContact O-N 3.48Å; G433-T437 PolarHBondContact O-OG1 2.93Å; G433-T437 VanDerWaalsContact O-OG1 3.14Å; Q434-T437 PolarHBondContact O-N 3.49Å; L435-T437 VanDerWaalsContact C-N 3.35Å; L435-T437 PolarHBondContact O-N 3.28Å; T437-Q440 PolarHBondContact O-N 3.3Å; T437-C441 VanDerWaalsContact O-CB 3.3Å; T437-C441 WeakPolarHBondContact O-CB 3.5Å; T437-C441 PolarHBondContact O-N 3.44Å
438F82.4Confident82.3Confident1 Ų115.8 Ų15.80%0.0049%0.092CC..Hα-helixtrans-59.3-50.1176.9-174.3-77.9000110I328 L330 I425 F428 P429 Q434 L435 Q440 C441 I442 G443 V445I328-F438 HydrophobicContact CD1-CZ 4.17Å; I328-F438 HydrophobicContact CG2-CZ 4.18Å; L330-F438 HydrophobicContact CD2-CE2 4.35Å; I425-F438 HydrophobicContact CD1-CE2 4.1Å; F428-F438 AromaticContact CD1-CD2 3.84Å; F428-F438 HydrophobicContact CD1-CD2 3.84Å; F428-F438 HydrophobicContact CE1-CB 3.94Å; F428-F438 AromaticContact CE1-CD2 3.69Å; F428-F438 HydrophobicContact CE1-CD2 3.69Å; F428-F438 HydrophobicContact CE1-CG 4.3Å; P429-F438 HydrophobicContact CG-CB 4.24Å; P429-F438 HydrophobicContact CG-CG 4.42Å; Q434-F438 VanDerWaalsContact O-CB 3.3Å; Q434-F438 WeakPolarHBondContact O-CB 3.18Å; Q434-F438 PolarHBondContact O-N 3.13Å; L435-F438 PolarHBondContact O-N 3.09Å; F438-Q440 VanDerWaalsContact C-N 3.3Å; F438-Q440 PolarHBondContact O-N 2.82Å; F438-C441 PolarHBondContact O-N 3.04Å; F438-I442 HydrophobicContact CD2-CD1 3.69Å; F438-I442 HydrophobicContact CE1-CB 4.29Å; F438-I442 HydrophobicContact CE1-CG2 4.21Å; F438-I442 HydrophobicContact CE2-CB 4.36Å; F438-I442 HydrophobicContact CE2-CD1 3.82Å; F438-I442 HydrophobicContact CE2-CG2 4.16Å; F438-I442 HydrophobicContact CG-CD1 4.31Å; F438-I442 HydrophobicContact CZ-CB 4.21Å; F438-I442 HydrophobicContact CZ-CD1 4.5Å; F438-I442 HydrophobicContact CZ-CG2 3.81Å; F438-I442 WeakPolarHBondContact O-CA 3.49Å; F438-I442 WeakPolarHBondContact O-CB 3.26Å; F438-I442 PolarHBondContact O-N 2.63Å; F438-G443 PolarHBondContact O-N 3.21Å; F438-V445 HydrophobicContact CD1-CG2 4.07Å; F438-V445 HydrophobicContact CE1-CG2 3.27Å; F438-V445 HydrophobicContact CZ-CG2 3.56Å
439N82.8Confident82.9Confident9 Ų915.7 Ų15.75%0.0489%0.092CC..Hα-helixtrans-62.2-38.1178.8-70.8-7.3000112F314 D316 L435 N436F314-N439 HydrophobicContact CB-CB 4.15Å; F314-N439 WeakPolarHBondContact O-CB 3.28Å; F314-N439 PolarHBondContact O-ND2 3.07Å; D316-N439 PolarHBondContact N-ND2 2.98Å; L435-N439 WeakPolarHBondContact O-CB 3.28Å; L435-N439 VanDerWaalsContact O-CG 3.25Å; L435-N439 PolarHBondContact O-N 2.81Å; N436-N439 PolarHBondContact O-N 2.88Å
440Q78.4Confident83.4Confident26 Ų2616.2 Ų16.212%0.1219%0.094CC..Hα-helixtrans-74.5-34.9-179.4-176.3174.628.400114F314 M320 N436 T437 F438F314-Q440 HydrophobicContact CB-CB 4.45Å; F314-Q440 HydrophobicContact CD2-CB 3.95Å; F314-Q440 HydrophobicContact CE2-CB 4.31Å; F314-Q440 HydrophobicContact CE2-CG 4.45Å; F314-Q440 HydrophobicContact CG-CB 4.07Å; F314-Q440 HydrophobicContact CZ-CG 4.45Å; M320-Q440 WeakPolarHBondContact CE-O 3.45Å; N436-Q440 VanDerWaalsContact O-CB 3.25Å; N436-Q440 WeakPolarHBondContact O-CB 3.42Å; N436-Q440 PolarHBondContact O-N 3.36Å; T437-Q440 PolarHBondContact O-N 3.3Å; F438-Q440 VanDerWaalsContact C-N 3.3Å; F438-Q440 PolarHBondContact O-N 2.82Å
441C75.4Confident83.9Confident26 Ų2615.4 Ų15.418%0.1769%0.089CC..Hα-helixtrans-108.7-16.6-169.5-630000114.3M320 I323 T437 F438M320-C441 WeakPolarHBondContact SD-CA 3.18Å; M320-C441 VanDerWaalsContact SD-O 3.41Å; I323-C441 WeakPolarHBondContact CD1-O 3.47Å; T437-C441 VanDerWaalsContact O-CB 3.3Å; T437-C441 WeakPolarHBondContact O-CB 3.5Å; T437-C441 PolarHBondContact O-N 3.44Å; F438-C441 PolarHBondContact O-N 3.04Å
442I76.8Confident84.6Confident3 Ų317.5 Ų17.52%0.01510%0.101CC..THydrogen-bonded Turntrans-133.9-55.1-173.9-55.8158.6000109.1M320 I328 I409 F438M320-I442 PolarHBondContact N-O 2.9Å; I328-I442 HydrophobicContact CD1-CG2 3.53Å; I409-I442 HydrophobicContact CB-CD1 4.04Å; I409-I442 HydrophobicContact CG2-CD1 3.2Å; I409-I442 HydrophobicContact CG2-CG1 4.33Å; F438-I442 HydrophobicContact CD2-CD1 3.69Å; F438-I442 HydrophobicContact CE1-CB 4.29Å; F438-I442 HydrophobicContact CE1-CG2 4.21Å; F438-I442 HydrophobicContact CE2-CB 4.36Å; F438-I442 HydrophobicContact CE2-CD1 3.82Å; F438-I442 HydrophobicContact CE2-CG2 4.16Å; F438-I442 HydrophobicContact CG-CD1 4.31Å; F438-I442 HydrophobicContact CZ-CB 4.21Å; F438-I442 HydrophobicContact CZ-CD1 4.5Å; F438-I442 HydrophobicContact CZ-CG2 3.81Å; F438-I442 WeakPolarHBondContact O-CA 3.49Å; F438-I442 WeakPolarHBondContact O-CB 3.26Å; F438-I442 PolarHBondContact O-N 2.63Å
443G78.1Confident85.2Confident0 Ų014.3 Ų14.30%09%0.088CC..  trans59.8173.6-176.200000113.6G318 R319 F438G318-G443 CarbonylContact O-C 3.58Å; G318-G443 VanDerWaalsContact O-CA 3.3Å; G318-G443 WeakPolarHBondContact O-CA 3.15Å; R319-G443 WeakPolarHBondContact CD-O 3.26Å; F438-G443 PolarHBondContact O-N 3.21Å
444G79.1Confident85.8Confident6 Ų615.1 Ų15.16%0.0628%0.083CC..  trans67.448.3162.500000116.7D316 G318 R319 D446D316-G444 VanDerWaalsContact OD1-CA 3.29Å; D316-G444 WeakPolarHBondContact OD1-CA 3.36Å; D316-G444 PolarHBondContact OD1-N 3.01Å; G318-G444 PolarHBondContact O-N 3.13Å; R319-G444 WeakPolarHBondContact CD-O 3.19Å; G444-D446 PolarHBondContact O-N 3.27Å
445V90Very high86.2Confident2 Ų218 Ų181%0.01210%0.097CC..  trans-58130.8167.1177.50000109.7L330 F438 V448 Y497 K502L330-V445 HydrophobicContact CD1-CB 4.5Å; L330-V445 HydrophobicContact CD1-CG1 3.94Å; L330-V445 HydrophobicContact CD1-CG2 3.72Å; L330-V445 HydrophobicContact CD2-CG2 4.38Å; L330-V445 HydrophobicContact CG-CG1 3.73Å; L330-V445 HydrophobicContact CG-CG2 4.04Å; F438-V445 HydrophobicContact CD1-CG2 4.07Å; F438-V445 HydrophobicContact CE1-CG2 3.27Å; F438-V445 HydrophobicContact CZ-CG2 3.56Å; V445-V448 HydrophobicContact CG1-CG2 3.56Å; V445-Y497 HydrophobicContact CB-CE1 3.96Å; V445-Y497 HydrophobicContact CG1-CE1 4.38Å; V445-Y497 HydrophobicContact CG2-CE1 3.72Å; V445-K502 WeakPolarHBondContact O-CD 3.47Å; V445-K502 VanDerWaalsContact O-CE 3.31Å; V445-K502 WeakPolarHBondContact O-CE 3.34Å; V445-K502 PolarHBondContact O-NZ 3.05Å
446D90.3Very high86.4Confident25 Ų2520.2 Ų20.213%0.13411%0.11CC..  trans-94.1-35.7-179.8-64.2-86.6000112.6P327 I328 G444 F526 K530P327-D446 WeakPolarHBondContact CA-OD2 2.97Å; P327-D446 HydrophobicContact CB-CB 4.42Å; I328-D446 PolarHBondContact N-OD2 2.95Å; I328-D446 PolarHBondContact O-N 3.32Å; G444-D446 PolarHBondContact O-N 3.27Å; D446-F526 HydrophobicContact CB-CE2 3.9Å; D446-F526 HydrophobicContact CB-CZ 3.53Å; D446-K530 WeakPolarHBondContact OD1-CE 3.4Å; D446-K530 IonicContact OD1-NZ 2.7Å; D446-K530 PolarHBondContact OD1-NZ 3.02Å
447L93.5Very high86.9Confident2 Ų220.7 Ų20.71%0.0111%0.114CC..EExtended strand (participates in β ladder)trans-147.2137.6-178.717663.3000110.2I328 I329 L330 I449 V504 V522 F526 I549I328-L447 PolarHBondContact O-N 3.42Å; I329-L447 CarbonylContact C-O 3.5Å; I329-L447 VanDerWaalsContact CA-O 3.31Å; I329-L447 WeakPolarHBondContact CA-O 3.44Å; I329-L447 HydrophobicContact CD1-CD2 4.49Å; I329-L447 HydrophobicContact CG1-CB 4.35Å; I329-L447 HydrophobicContact CG1-CD2 4.49Å; I329-L447 HydrophobicContact CG2-CB 4.32Å; I329-L447 HydrophobicContact CG2-CD2 4.03Å; I329-L447 HydrophobicContact CG2-CG 4.19Å; L330-L447 PolarHBondContact N-O 3.05Å; L447-I449 HydrophobicContact CD1-CG1 4.4Å; L447-I449 HydrophobicContact CD2-CD1 3.96Å; L447-I449 HydrophobicContact CD2-CG1 4.01Å; L447-I449 HydrophobicContact CG-CD1 4.45Å; L447-I449 HydrophobicContact CG-CG1 3.96Å; L447-V504 HydrophobicContact CD1-CB 4.48Å; L447-V504 HydrophobicContact CD1-CG2 3.78Å; L447-V522 HydrophobicContact CD2-CG1 3.96Å; L447-F526 HydrophobicContact CB-CD2 4.03Å; L447-F526 HydrophobicContact CB-CE2 3.76Å; L447-F526 HydrophobicContact CB-CZ 4.08Å; L447-F526 HydrophobicContact CD2-CB 4.08Å; L447-F526 HydrophobicContact CD2-CD1 4.24Å; L447-F526 HydrophobicContact CD2-CD2 3.95Å; L447-F526 HydrophobicContact CD2-CE2 4.47Å; L447-F526 HydrophobicContact CD2-CG 3.82Å; L447-F526 HydrophobicContact CG-CD2 4.48Å; L447-I549 HydrophobicContact CD1-CD1 3.99Å; L447-I549 HydrophobicContact CD1-CG1 4.35Å
448V95.6Very high87.8Confident0 Ų019.6 Ų19.60%011%0.107CC..EExtended strand (participates in β ladder)trans-118128.1169.8-176.70000108L330 L332 V445 Y497 K502 L503 V504L330-V448 HydrophobicContact CB-CB 4.49Å; L330-V448 HydrophobicContact CB-CG1 4.25Å; L330-V448 HydrophobicContact CB-CG2 4.15Å; L330-V448 HydrophobicContact CD1-CG2 4.02Å; L330-V448 HydrophobicContact CG-CG2 4.25Å; L332-V448 HydrophobicContact CD1-CG1 3.7Å; L332-V448 HydrophobicContact CG-CG1 4.23Å; V445-V448 HydrophobicContact CG1-CG2 3.56Å; V448-Y497 HydrophobicContact CG1-CD2 4.5Å; V448-Y497 HydrophobicContact CG2-CD1 3.95Å; V448-Y497 HydrophobicContact CG2-CD2 3.88Å; V448-Y497 HydrophobicContact CG2-CE1 4.5Å; V448-Y497 HydrophobicContact CG2-CE2 4.42Å; V448-Y497 HydrophobicContact CG2-CG 3.61Å; V448-K502 HydrophobicContact CG2-CB 4.41Å; V448-K502 PolarHBondContact N-O 3.45Å; V448-L503 HydrophobicContact CB-CD1 4.12Å; V448-L503 HydrophobicContact CG1-CD1 3.68Å; V448-L503 CarbonylContact O-C 3.21Å; V448-L503 WeakPolarHBondContact O-CA 3.46Å; V448-V504 PolarHBondContact O-N 2.74Å
449I96.8Very high88.2Confident1 Ų121.1 Ų21.11%0.00512%0.115CC..EExtended strand (participates in β ladder)trans-114.8124.6174.6-54.4177.5000108.2I329 L330 L331 L332 L447 V504 I506 L519 V522 I523I329-I449 HydrophobicContact CG2-CD1 4.06Å; I329-I449 HydrophobicContact CG2-CG1 4.32Å; L330-I449 PolarHBondContact O-N 3.32Å; L331-I449 HydrophobicContact CD1-CB 3.95Å; L331-I449 HydrophobicContact CD1-CG2 3.97Å; L332-I449 PolarHBondContact N-O 2.58Å; L447-I449 HydrophobicContact CD1-CG1 4.4Å; L447-I449 HydrophobicContact CD2-CD1 3.96Å; L447-I449 HydrophobicContact CD2-CG1 4.01Å; L447-I449 HydrophobicContact CG-CD1 4.45Å; L447-I449 HydrophobicContact CG-CG1 3.96Å; I449-V504 CarbonylContact C-O 3.52Å; I449-V504 VanDerWaalsContact CA-O 3.29Å; I449-V504 WeakPolarHBondContact CA-O 3.26Å; I449-I506 HydrophobicContact CG2-CD1 3.78Å; I449-I506 HydrophobicContact CG2-CG1 4.2Å; I449-L519 HydrophobicContact CD1-CD2 4.06Å; I449-L519 HydrophobicContact CG2-CD2 3.77Å; I449-V522 HydrophobicContact CD1-CG1 3.9Å; I449-V522 HydrophobicContact CG1-CG1 4.36Å; I449-I523 HydrophobicContact CD1-CD1 3.91Å; I449-I523 HydrophobicContact CD1-CG1 4.49Å
450L96.7Very high88.7Confident10 Ų1025.1 Ų25.15%0.05214%0.136CC..EExtended strand (participates in β ladder)trans-103.1121.5171.9169.463000110L332 D452 F486 I494 L503 V504 T505 I506L332-L450 WeakPolarHBondContact O-CA 3.44Å; L450-D452 HydrophobicContact CD2-CB 4.21Å; L450-D452 HydrophobicContact CG-CB 4.16Å; L450-D452 PolarHBondContact O-N 3.28Å; L450-F486 HydrophobicContact CD1-CZ 3.91Å; L450-I494 HydrophobicContact CD1-CD1 3.91Å; L450-I494 HydrophobicContact CD2-CD1 4.49Å; L450-I494 HydrophobicContact CD2-CG2 4.19Å; L450-L503 HydrophobicContact CB-CD1 3.79Å; L450-V504 PolarHBondContact N-O 3.08Å; L450-T505 HydrophobicContact CB-CG2 4.48Å; L450-T505 HydrophobicContact CD2-CG2 4.08Å; L450-T505 HydrophobicContact CG-CG2 4.28Å; L450-I506 PolarHBondContact O-N 3.37Å
451L96Very high89.4Confident1 Ų126.2 Ų26.21%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-82.897.7161-59.1-173.9000108.9L331 L332 G333 R339 Q342 I506 I515 L519L331-L451 HydrophobicContact CD1-CD1 4.49Å; L331-L451 HydrophobicContact CD1-CG 4.15Å; L332-L451 PolarHBondContact O-N 3.01Å; G333-L451 WeakPolarHBondContact CA-O 3.38Å; R339-L451 HydrophobicContact CB-CD1 4.46Å; R339-L451 HydrophobicContact CG-CD1 3.97Å; Q342-L451 HydrophobicContact CG-CD1 4.25Å; L451-I506 HydrophobicContact CD2-CB 4.13Å; L451-I506 HydrophobicContact CD2-CG2 4.34Å; L451-I515 HydrophobicContact CD2-CG2 3.88Å; L451-L519 HydrophobicContact CD2-CD1 4.36Å; L451-L519 HydrophobicContact CD2-CD2 4.33Å
452D93.3Very high90Very high79 Ų7925 Ų2542%0.42213%0.131SC..EExtended strand (participates in β ladder)trans-87.5112-175.6-173.626.9000110.2L450 T505 I506 G508L450-D452 HydrophobicContact CD2-CB 4.21Å; L450-D452 HydrophobicContact CG-CB 4.16Å; L450-D452 PolarHBondContact O-N 3.28Å; D452-T505 HydrophobicContact CB-CG2 3.54Å; D452-I506 PolarHBondContact N-O 2.82Å; D452-G508 WeakPolarHBondContact O-CA 3.47Å; D452-G508 PolarHBondContact O-N 2.86Å
453C91.1Very high90.7Very high15 Ų1527.7 Ų27.710%0.10114%0.143CC..  trans-122.5147.9-179.8-52.30000110S337 T457 L458 G508 D509S337-C453 VanDerWaalsContact CB-SG 3.55Å; C453-T457 HydrophobicContact CB-CG2 4.45Å; C453-L458 HydrophobicContact CB-CD2 3.54Å; C453-L458 HydrophobicContact CB-CG 3.9Å; C453-G508 VanDerWaalsContact SG-CA 3.57Å; C453-D509 WeakPolarHBondContact CA-OD1 3.39Å; C453-D509 WeakPolarHBondContact CA-OD2 3.44Å
454E88Confident91.4Very high49 Ų4934.1 Ų34.123%0.22917%0.173CC..  trans-62.4147167.3-68-177.6-16500110.9E193 T456 T457 L458 D509E193-E454 WeakPolarHBondContact CB-OE1 3.4Å; E454-T456 VanDerWaalsContact C-N 3.28Å; E454-T456 PolarHBondContact O-N 2.72Å; E454-T457 WeakPolarHBondContact O-CB 3.46Å; E454-T457 PolarHBondContact O-N 3.11Å; E454-T457 VanDerWaalsContact O-N 3.14Å; E454-L458 WeakPolarHBondContact O-CG 3.44Å; E454-L458 PolarHBondContact O-N 2.8Å; E454-D509 VanDerWaalsContact N-CG 3.34Å; E454-D509 PolarHBondContact N-OD1 2.87Å; E454-D509 PolarHBondContact N-OD2 3.05Å; E454-D509 VanDerWaalsContact N-OD2 3.09Å
455E87.8Confident91.8Very high75 Ų7536 Ų3635%0.3518%0.179SC..Hα-helixtrans-57.9-40.6-179.1168.6164-146.100112.4T457 L458 I459 I483 K487E455-T457 PolarHBondContact O-N 3.03Å; E455-L458 WeakPolarHBondContact O-CB 3.43Å; E455-L458 PolarHBondContact O-N 3.06Å; E455-I459 HydrophobicContact CG-CD1 3.76Å; E455-I459 HydrophobicContact CG-CG1 4.37Å; E455-I459 VanDerWaalsContact O-CG1 3.27Å; E455-I459 WeakPolarHBondContact O-CG1 3.13Å; E455-I459 PolarHBondContact O-N 3.41Å; E455-I483 HydrophobicContact CB-CG2 4.49Å; E455-I483 HydrophobicContact CG-CD1 4.18Å; E455-I483 HydrophobicContact CG-CG2 3.96Å; E455-I483 WeakPolarHBondContact OE1-CG2 3.2Å; E455-K487 VanDerWaalsContact CD-NZ 3.28Å; E455-K487 IonicContact OE1-NZ 3.52Å; E455-K487 PolarHBondContact OE1-NZ 2.88Å; E455-K487 WeakPolarHBondContact OE2-CE 3.33Å; E455-K487 IonicContact OE2-NZ 3.06Å; E455-K487 PolarHBondContact OE2-NZ 2.81Å
456T88.1Confident91.5Very high47 Ų4738.6 Ų38.629%0.28819%0.189SC..Hα-helixtrans-59.9-45.1176.149.40000111.5E454 L458 I459 D460E454-T456 VanDerWaalsContact C-N 3.28Å; E454-T456 PolarHBondContact O-N 2.72Å; T456-L458 VanDerWaalsContact C-N 3.32Å; T456-L458 PolarHBondContact O-N 2.94Å; T456-I459 PolarHBondContact O-N 3.13Å; T456-D460 WeakPolarHBondContact O-CB 3.39Å; T456-D460 PolarHBondContact O-N 3.09Å
457T91.6Very high91.6Very high30 Ų3043.3 Ų43.318%0.18421%0.21CC..Hα-helixtrans-59-42.6174.1-57.80000112.1C453 E454 E455 R461 D509C453-T457 HydrophobicContact CB-CG2 4.45Å; E454-T457 WeakPolarHBondContact O-CB 3.46Å; E454-T457 PolarHBondContact O-N 3.11Å; E454-T457 VanDerWaalsContact O-N 3.14Å; E455-T457 PolarHBondContact O-N 3.03Å; T457-R461 HydrophobicContact CG2-CG 4.43Å; T457-R461 WeakPolarHBondContact O-CB 3.26Å; T457-R461 VanDerWaalsContact O-CG 3.23Å; T457-R461 WeakPolarHBondContact O-CG 3.43Å; T457-R461 PolarHBondContact O-N 3.06Å; T457-D509 WeakPolarHBondContact CB-OD1 3.43Å; T457-D509 WeakPolarHBondContact CG2-OD1 3.49Å; T457-D509 PolarHBondContact OG1-OD1 3.15Å
458L92Very high91.4Very high4 Ų451.9 Ų51.92%0.02124%0.242CC..Hα-helixtrans-63.5-47.2177.2-62.6177.6000111P335 C453 E454 E455 T456 R461 L462 I483P335-L458 WeakPolarHBondContact O-CD2 3.22Å; C453-L458 HydrophobicContact CB-CD2 3.54Å; C453-L458 HydrophobicContact CB-CG 3.9Å; E454-L458 WeakPolarHBondContact O-CG 3.44Å; E454-L458 PolarHBondContact O-N 2.8Å; E455-L458 WeakPolarHBondContact O-CB 3.43Å; E455-L458 PolarHBondContact O-N 3.06Å; T456-L458 VanDerWaalsContact C-N 3.32Å; T456-L458 PolarHBondContact O-N 2.94Å; L458-R461 PolarHBondContact O-N 2.8Å; L458-L462 WeakPolarHBondContact O-CB 3.1Å; L458-L462 WeakPolarHBondContact O-CD1 3.31Å; L458-L462 WeakPolarHBondContact O-CG 3.25Å; L458-L462 PolarHBondContact O-N 2.83Å; L458-I483 HydrophobicContact CB-CD1 4Å; L458-I483 HydrophobicContact CB-CG1 4.41Å; L458-I483 HydrophobicContact CD1-CG1 4.39Å
459I90.6Very high90.9Very high34 Ų3455.3 Ų55.317%0.17426%0.26CS..Hα-helixtrans-57.5-52.1177.9-69169000110.3E455 T456 R461 L462 H463 V479 L480 I483E455-I459 HydrophobicContact CG-CD1 3.76Å; E455-I459 HydrophobicContact CG-CG1 4.37Å; E455-I459 VanDerWaalsContact O-CG1 3.27Å; E455-I459 WeakPolarHBondContact O-CG1 3.13Å; E455-I459 PolarHBondContact O-N 3.41Å; T456-I459 PolarHBondContact O-N 3.13Å; I459-R461 PolarHBondContact O-N 2.85Å; I459-L462 PolarHBondContact O-N 2.92Å; I459-H463 WeakPolarHBondContact CG2-CE1 3.38Å; I459-H463 PolarHBondContact O-N 3.11Å; I459-V479 HydrophobicContact CB-CG1 4.44Å; I459-V479 HydrophobicContact CG1-CG1 3.97Å; I459-L480 HydrophobicContact CD1-CD2 4.04Å; I459-I483 HydrophobicContact CD1-CD1 4.18Å; I459-I483 HydrophobicContact CG1-CD1 3.39Å
460D93.3Very high90.1Very high92 Ų9260.8 Ų60.849%0.49228%0.284SS..Hα-helixtrans-61.8-44.2-178-74.7-17.3000112.1T456 L462 H463 Q464T456-D460 WeakPolarHBondContact O-CB 3.39Å; T456-D460 PolarHBondContact O-N 3.09Å; D460-L462 VanDerWaalsContact C-N 3.32Å; D460-L462 PolarHBondContact O-N 2.87Å; D460-H463 PolarHBondContact O-N 3.01Å; D460-Q464 VanDerWaalsContact O-CG 3.29Å; D460-Q464 WeakPolarHBondContact O-CG 3.5Å; D460-Q464 PolarHBondContact O-N 2.59Å
461R93.9Very high88.8Confident49 Ų4964.4 Ų64.419%0.18530%0.297CS..Hα-helixtrans-64.6-37.2177-73.7178-179.2171.42.7112G336 T457 L458 I459 R465 G508G336-R461 WeakPolarHBondContact O-CD 3.41Å; T457-R461 HydrophobicContact CG2-CG 4.43Å; T457-R461 WeakPolarHBondContact O-CB 3.26Å; T457-R461 VanDerWaalsContact O-CG 3.23Å; T457-R461 WeakPolarHBondContact O-CG 3.43Å; T457-R461 PolarHBondContact O-N 3.06Å; L458-R461 PolarHBondContact O-N 2.8Å; I459-R461 PolarHBondContact O-N 2.85Å; R461-R465 VanDerWaalsContact O-CB 3.32Å; R461-R465 WeakPolarHBondContact O-CB 3.49Å; R461-R465 PolarHBondContact O-N 2.91Å; R461-G508 PolarHBondContact NH1-O 2.94Å; R461-G508 PolarHBondContact NH2-O 3.1Å
462L88.1Confident87.5Confident0 Ų067.6 Ų67.60%032%0.323CS..Hα-helixtrans-68.5-43.9176.3-71.7167.4000111.4P335 L458 I459 D460 Q464 R465 Y466 D474 V479P335-L462 HydrophobicContact CB-CD1 3.99Å; P335-L462 HydrophobicContact CB-CD2 4.3Å; P335-L462 HydrophobicContact CG-CD1 4.06Å; P335-L462 WeakPolarHBondContact O-CD1 3.5Å; L458-L462 WeakPolarHBondContact O-CB 3.1Å; L458-L462 WeakPolarHBondContact O-CD1 3.31Å; L458-L462 WeakPolarHBondContact O-CG 3.25Å; L458-L462 PolarHBondContact O-N 2.83Å; I459-L462 PolarHBondContact O-N 2.92Å; D460-L462 VanDerWaalsContact C-N 3.32Å; D460-L462 PolarHBondContact O-N 2.87Å; L462-Q464 PolarHBondContact O-N 3.24Å; L462-R465 CarbonylContact O-C 3.52Å; L462-R465 PolarHBondContact O-N 3.13Å; L462-Y466 WeakPolarHBondContact O-CB 3.38Å; L462-Y466 PolarHBondContact O-N 3.32Å; L462-D474 WeakPolarHBondContact CD2-OD1 3.47Å; L462-V479 HydrophobicContact CB-CG1 4.41Å; L462-V479 HydrophobicContact CB-CG2 3.9Å; L462-V479 HydrophobicContact CD1-CB 4.37Å; L462-V479 HydrophobicContact CD1-CG1 3.74Å; L462-V479 HydrophobicContact CD1-CG2 4.09Å
463H91.4Very high86.2Confident60 Ų6064.6 Ų64.628%0.27831%0.306SS..Hα-helixtrans-60.7-44.4174.8-66.8160.2000112I459 D460 R465 Y466 E467 D476I459-H463 WeakPolarHBondContact CG2-CE1 3.38Å; I459-H463 PolarHBondContact O-N 3.11Å; D460-H463 PolarHBondContact O-N 3.01Å; H463-R465 VanDerWaalsContact C-N 3.3Å; H463-R465 PolarHBondContact O-N 3.2Å; H463-Y466 WeakPolarHBondContact O-CB 3.27Å; H463-Y466 PolarHBondContact O-N 3.44Å; H463-E467 PolarHBondContact O-N 2.74Å; H463-D476 IonicContact CD2-OD1 2.92Å; H463-D476 PolarHBondContact CD2-OD1 3.28Å; H463-D476 IonicContact NE2-OD1 3.95Å; H463-D476 PolarHBondContact NE2-OD1 2.91Å
464Q92.8Very high85.4Confident136 Ų13663.9 Ų63.964%0.63630%0.302SS*.Hα-helixtrans-61.2-40175.2-71.2172.415.700111.8D460 L462 E467 R468D460-Q464 VanDerWaalsContact O-CG 3.29Å; D460-Q464 WeakPolarHBondContact O-CG 3.5Å; D460-Q464 PolarHBondContact O-N 2.59Å; L462-Q464 PolarHBondContact O-N 3.24Å; Q464-E467 PolarHBondContact O-N 2.89Å; Q464-R468 PolarHBondContact O-N 2.81Å; Q464-R468 VanDerWaalsContact O-N 3.11Å
465R86.8Confident84.8Confident45 Ų4566.1 Ų66.117%0.1731%0.312CS..Hα-helixtrans-68-37176.1-168.417173.8173.25112.1R461 L462 H463 R468 L469 E473 D474R461-R465 VanDerWaalsContact O-CB 3.32Å; R461-R465 WeakPolarHBondContact O-CB 3.49Å; R461-R465 PolarHBondContact O-N 2.91Å; L462-R465 CarbonylContact O-C 3.52Å; L462-R465 PolarHBondContact O-N 3.13Å; H463-R465 VanDerWaalsContact C-N 3.3Å; H463-R465 PolarHBondContact O-N 3.2Å; R465-R468 PolarHBondContact O-N 2.91Å; R465-L469 HydrophobicContact CG-CD1 3.78Å; R465-L469 HydrophobicContact CG-CG 4.35Å; R465-L469 WeakPolarHBondContact O-CB 3.47Å; R465-L469 PolarHBondContact O-N 2.95Å; R465-E473 IonicContact NH2-OE1 2.76Å; R465-D474 IonicContact CZ-OD1 3.78Å; R465-D474 IonicContact CZ-OD2 2.7Å; R465-D474 IonicContact NE-OD1 3.1Å; R465-D474 IonicContact NE-OD2 2.65Å; R465-D474 PolarHBondContact NE-OD2 2.78Å; R465-D474 IonicContact NH2-OD1 3.56Å; R465-D474 PolarHBondContact NH2-OD1 3.38Å; R465-D474 IonicContact NH2-OD2 3.5Å; R465-D474 PolarHBondContact NH2-OD2 3.01Å
466Y84.7Confident84.3Confident57 Ų5767.1 Ų67.122%0.22432%0.32CS..Hα-helixtrans-61.5-46.1172.5-178-102.9000111.2L462 H463 R468 K470 R471 D474 E475L462-Y466 WeakPolarHBondContact O-CB 3.38Å; L462-Y466 PolarHBondContact O-N 3.32Å; H463-Y466 WeakPolarHBondContact O-CB 3.27Å; H463-Y466 PolarHBondContact O-N 3.44Å; Y466-R468 VanDerWaalsContact C-N 3.28Å; Y466-R468 PolarHBondContact O-N 3.44Å; Y466-K470 HydrophobicContact CE1-CD 4.33Å; Y466-K470 WeakPolarHBondContact O-CA 3.42Å; Y466-K470 WeakPolarHBondContact O-CD 3.42Å; Y466-K470 PolarHBondContact O-N 3.28Å; Y466-R471 VanDerWaalsContact CD2-O 3.24Å; Y466-R471 WeakPolarHBondContact CD2-O 3.3Å; Y466-D474 WeakPolarHBondContact CB-O 3.47Å; Y466-D474 HydrophobicContact CD2-CB 4.08Å; Y466-D474 HydrophobicContact CG-CB 4.41Å; Y466-E475 HydrophobicContact CD2-CB 4.44Å; Y466-E475 HydrophobicContact CE2-CB 3.96Å
467E91.7Very high83.4Confident124 Ų12468.3 Ų68.358%0.57933%0.334SS*.Hα-helixtrans-61.7-37.6177.8-74.7-51.711100112.7H463 Q464 K470H463-E467 PolarHBondContact O-N 2.74Å; Q464-E467 PolarHBondContact O-N 2.89Å; E467-K470 WeakPolarHBondContact O-CE 3.36Å; E467-K470 IonicContact OE1-NZ 2.93Å; E467-K470 PolarHBondContact OE1-NZ 3.47Å; E467-K470 IonicContact OE2-NZ 3.57Å; E467-K470 PolarHBondContact OE2-NZ 2.85Å
468R90.2Very high82.5Confident182 Ų18267.5 Ų67.569%0.68733%0.329SS*.Hα-helixtrans-77.4-43179.6-175.9171.659.5110-6.6114.2Q464 R465 Y466Q464-R468 PolarHBondContact O-N 2.81Å; Q464-R468 VanDerWaalsContact O-N 3.11Å; R465-R468 PolarHBondContact O-N 2.91Å; Y466-R468 VanDerWaalsContact C-N 3.28Å; Y466-R468 PolarHBondContact O-N 3.44Å
469L84.3Confident81.8Confident71 Ų7167.3 Ų67.337%0.37233%0.328SS..Hα-helixtrans-113.5-11.4-168-59.2-179.2000114.1R465 R471R465-L469 HydrophobicContact CG-CD1 3.78Å; R465-L469 HydrophobicContact CG-CG 4.35Å; R465-L469 WeakPolarHBondContact O-CB 3.47Å; R465-L469 PolarHBondContact O-N 2.95Å; L469-R471 HydrophobicContact CB-CG 3.94Å; L469-R471 PolarHBondContact O-N 3.4Å; L469-R471 VanDerWaalsContact O-N 3.17Å
470K79.1Confident81.1Confident117 Ų11770.6 Ų70.651%0.50935%0.346SS..  trans48.241.1-176.5-59.3-68.1168.1-170.10113.1Y466 E467Y466-K470 HydrophobicContact CE1-CD 4.33Å; Y466-K470 WeakPolarHBondContact O-CA 3.42Å; Y466-K470 WeakPolarHBondContact O-CD 3.42Å; Y466-K470 PolarHBondContact O-N 3.28Å; E467-K470 WeakPolarHBondContact O-CE 3.36Å; E467-K470 IonicContact OE1-NZ 2.93Å; E467-K470 PolarHBondContact OE1-NZ 3.47Å; E467-K470 IonicContact OE2-NZ 3.57Å; E467-K470 PolarHBondContact OE2-NZ 2.85Å
471R69.7Low80Confident86 Ų8669.2 Ų69.233%0.32534%0.336SS..  trans-72.1126.1176.3-72.4-177.4177.3-170.80.7110.5Y466 L469 E473 D474Y466-R471 VanDerWaalsContact CD2-O 3.24Å; Y466-R471 WeakPolarHBondContact CD2-O 3.3Å; L469-R471 HydrophobicContact CB-CG 3.94Å; L469-R471 PolarHBondContact O-N 3.4Å; L469-R471 VanDerWaalsContact O-N 3.17Å; R471-E473 HydrophobicContact CB-CG 4.1Å; R471-E473 PolarHBondContact O-N 2.94Å; R471-E473 VanDerWaalsContact O-N 3.12Å; R471-D474 HydrophobicContact CB-CB 4.31Å; R471-D474 WeakPolarHBondContact CD-OD2 3.29Å; R471-D474 PolarHBondContact O-N 2.89Å
472A68.4Low79.2Confident67 Ų6768.2 Ų68.255%0.55433%0.333SS*.G310 helixtrans-57.3-29.4178.800000114D474A472-D474 VanDerWaalsContact C-N 3.28Å; A472-D474 PolarHBondContact O-N 2.95Å
473E66.7Low78.9Confident17 Ų1768.3 Ų68.38%0.07933%0.333CS..G310 helixtrans-74.6-11.7177.759.4175.4-115.500114.8R363 H386 R465 R471 R482R363-E473 IonicContact NE-OE2 3.2Å; R363-E473 IonicContact NH2-OE2 2.72Å; H386-E473 HydrophobicContact CB-CB 3.93Å; H386-E473 IonicContact CD2-OE2 3.14Å; H386-E473 IonicContact CE1-OE2 3.52Å; H386-E473 IonicContact CG-OE2 2.98Å; H386-E473 IonicContact ND1-OE2 2.79Å; H386-E473 IonicContact NE2-OE2 2.73Å; R465-E473 IonicContact NH2-OE1 2.76Å; R471-E473 HydrophobicContact CB-CG 4.1Å; R471-E473 PolarHBondContact O-N 2.94Å; R471-E473 VanDerWaalsContact O-N 3.12Å; E473-R482 VanDerWaalsContact O-CD 3.26Å; E473-R482 WeakPolarHBondContact O-CD 3.18Å; E473-R482 PolarHBondContact O-NH1 3.38Å; E473-R482 IonicContact OE1-CZ 3Å; E473-R482 IonicContact OE1-NH1 2.8Å; E473-R482 IonicContact OE1-NH2 3.82Å; E473-R482 PolarHBondContact OE1-NH2 3.38Å
474D75Confident78Confident0 Ų068 Ų680%034%0.337CS..G310 helixtrans-104.15.9-178.8-61.2-24.3000112.4L462 R465 Y466 R471 A472 V479 R482L462-D474 WeakPolarHBondContact CD2-OD1 3.47Å; R465-D474 IonicContact CZ-OD1 3.78Å; R465-D474 IonicContact CZ-OD2 2.7Å; R465-D474 IonicContact NE-OD1 3.1Å; R465-D474 IonicContact NE-OD2 2.65Å; R465-D474 PolarHBondContact NE-OD2 2.78Å; R465-D474 IonicContact NH2-OD1 3.56Å; R465-D474 PolarHBondContact NH2-OD1 3.38Å; R465-D474 IonicContact NH2-OD2 3.5Å; R465-D474 PolarHBondContact NH2-OD2 3.01Å; Y466-D474 WeakPolarHBondContact CB-O 3.47Å; Y466-D474 HydrophobicContact CD2-CB 4.08Å; Y466-D474 HydrophobicContact CG-CB 4.41Å; R471-D474 HydrophobicContact CB-CB 4.31Å; R471-D474 WeakPolarHBondContact CD-OD2 3.29Å; R471-D474 PolarHBondContact O-N 2.89Å; A472-D474 VanDerWaalsContact C-N 3.28Å; A472-D474 PolarHBondContact O-N 2.95Å; D474-V479 WeakPolarHBondContact O-CG2 3.48Å; D474-R482 IonicContact OD1-CZ 2.69Å; D474-R482 IonicContact OD1-NH1 2.89Å; D474-R482 PolarHBondContact OD1-NH1 2.96Å
475E74.5Confident77.2Confident95 Ų9563.5 Ų63.544%0.44432%0.316SS..SBendtrans-67.5141.2173.3-173.3177.4175.900110.9Y466 A477 V478 V479Y466-E475 HydrophobicContact CD2-CB 4.44Å; Y466-E475 HydrophobicContact CE2-CB 3.96Å; E475-A477 PolarHBondContact O-N 2.71Å; E475-V478 WeakPolarHBondContact O-CA 3.37Å; E475-V478 PolarHBondContact O-N 3.45Å; E475-V479 WeakPolarHBondContact O-CG2 3.42Å; E475-V479 PolarHBondContact O-N 3.47Å
476D77.1Confident77.1Confident97 Ų9762.3 Ų62.352%0.51931%0.312SS..Hα-helixtrans-46.6-40.7-174.3-60.17.9000113.7H463 V478H463-D476 IonicContact CD2-OD1 2.92Å; H463-D476 PolarHBondContact CD2-OD1 3.28Å; H463-D476 IonicContact NE2-OD1 3.95Å; H463-D476 PolarHBondContact NE2-OD1 2.91Å; D476-V478 VanDerWaalsContact C-N 3.26Å; D476-V478 PolarHBondContact O-N 3.24Å
477A70.5Confident76.8Confident71 Ų7163.3 Ų63.359%0.58732%0.318SS*.Hα-helixtrans-64.3-28.4179.900000113.5E475E475-A477 PolarHBondContact O-N 2.71Å
478V71.2Confident76Confident13 Ų1362.5 Ų62.58%0.07931%0.314CS..Hα-helixtrans-95.6-31.9-178.1-175.60000111.4E475 D476 L480 Q481 R482E475-V478 WeakPolarHBondContact O-CA 3.37Å; E475-V478 PolarHBondContact O-N 3.45Å; D476-V478 VanDerWaalsContact C-N 3.26Å; D476-V478 PolarHBondContact O-N 3.24Å; V478-L480 PolarHBondContact O-N 3.43Å; V478-Q481 WeakPolarHBondContact O-CB 3.3Å; V478-Q481 PolarHBondContact O-N 2.73Å; V478-Q481 VanDerWaalsContact O-N 3.1Å; V478-R482 HydrophobicContact CG1-CG 4.09Å; V478-R482 WeakPolarHBondContact O-CG 3.42Å; V478-R482 PolarHBondContact O-N 3.16Å
479V77.4Confident75.4Confident1 Ų155.6 Ų55.61%0.00629%0.293CS..Hα-helixtrans-51.6-51.7-179.6165.90000111.9I459 L462 D474 E475 Q481 R482 I483I459-V479 HydrophobicContact CB-CG1 4.44Å; I459-V479 HydrophobicContact CG1-CG1 3.97Å; L462-V479 HydrophobicContact CB-CG1 4.41Å; L462-V479 HydrophobicContact CB-CG2 3.9Å; L462-V479 HydrophobicContact CD1-CB 4.37Å; L462-V479 HydrophobicContact CD1-CG1 3.74Å; L462-V479 HydrophobicContact CD1-CG2 4.09Å; D474-V479 WeakPolarHBondContact O-CG2 3.48Å; E475-V479 WeakPolarHBondContact O-CG2 3.42Å; E475-V479 PolarHBondContact O-N 3.47Å; V479-Q481 VanDerWaalsContact C-N 3.31Å; V479-Q481 PolarHBondContact O-N 2.82Å; V479-R482 PolarHBondContact O-N 2.9Å; V479-R482 VanDerWaalsContact O-N 3.1Å; V479-I483 HydrophobicContact CG1-CD1 4.02Å; V479-I483 PolarHBondContact O-N 3.42Å
480L76.7Confident75.5Confident102 Ų10252.4 Ų52.453%0.53428%0.276SS..Hα-helixtrans-63.5-36.8-179-65.1177.9000112.3I459 V478 R482 I483 S484I459-L480 HydrophobicContact CD1-CD2 4.04Å; V478-L480 PolarHBondContact O-N 3.43Å; L480-R482 VanDerWaalsContact C-N 3.32Å; L480-R482 PolarHBondContact O-N 2.88Å; L480-I483 PolarHBondContact O-N 2.78Å; L480-S484 VanDerWaalsContact O-CB 3.27Å; L480-S484 WeakPolarHBondContact O-CB 3.44Å; L480-S484 PolarHBondContact O-N 3.23Å
481Q70.9Confident75.9Confident63 Ų6348.6 Ų48.629%0.29426%0.261SS..Hα-helixtrans-63.7-41175.3-62.4178.9-49.100110.7S388 D389 V478 V479 S484 F485S388-Q481 WeakPolarHBondContact CB-O 3.36Å; D389-Q481 VanDerWaalsContact CG-NE2 3.28Å; D389-Q481 PolarHBondContact OD1-NE2 2.86Å; D389-Q481 PolarHBondContact OD2-NE2 3.35Å; V478-Q481 WeakPolarHBondContact O-CB 3.3Å; V478-Q481 PolarHBondContact O-N 2.73Å; V478-Q481 VanDerWaalsContact O-N 3.1Å; V479-Q481 VanDerWaalsContact C-N 3.31Å; V479-Q481 PolarHBondContact O-N 2.82Å; Q481-S484 WeakPolarHBondContact O-CB 3.17Å; Q481-S484 PolarHBondContact O-N 2.74Å; Q481-F485 PolarHBondContact O-N 3.32Å
482R77.1Confident76.6Confident29 Ų2944.8 Ų44.811%0.10925%0.247CC..Hα-helixtrans-65.2-41.6179.6-66.8174.671-170.613113.4P335 H386 S388 E473 D474 V478 V479 L480 F486P335-R482 HydrophobicContact CB-CB 4.09Å; P335-R482 HydrophobicContact CG-CB 3.76Å; H386-R482 VanDerWaalsContact O-CG 3.29Å; H386-R482 WeakPolarHBondContact O-CG 3.32Å; S388-R482 VanDerWaalsContact OG-CA 3.31Å; S388-R482 WeakPolarHBondContact OG-CA 3.4Å; E473-R482 VanDerWaalsContact O-CD 3.26Å; E473-R482 WeakPolarHBondContact O-CD 3.18Å; E473-R482 PolarHBondContact O-NH1 3.38Å; E473-R482 IonicContact OE1-CZ 3Å; E473-R482 IonicContact OE1-NH1 2.8Å; E473-R482 IonicContact OE1-NH2 3.82Å; E473-R482 PolarHBondContact OE1-NH2 3.38Å; D474-R482 IonicContact OD1-CZ 2.69Å; D474-R482 IonicContact OD1-NH1 2.89Å; D474-R482 PolarHBondContact OD1-NH1 2.96Å; V478-R482 HydrophobicContact CG1-CG 4.09Å; V478-R482 WeakPolarHBondContact O-CG 3.42Å; V478-R482 PolarHBondContact O-N 3.16Å; V479-R482 PolarHBondContact O-N 2.9Å; V479-R482 VanDerWaalsContact O-N 3.1Å; L480-R482 VanDerWaalsContact C-N 3.32Å; L480-R482 PolarHBondContact O-N 2.88Å; R482-F486 PolarHBondContact O-N 2.97Å
483I80.1Confident77.6Confident2 Ų241.6 Ų41.61%0.0122%0.221CC..Hα-helixtrans-66.5-42.4174.8-64.8172.4000110.1P335 E455 L458 I459 V479 L480 F485 F486 K487P335-I483 HydrophobicContact CG-CG1 3.82Å; E455-I483 HydrophobicContact CB-CG2 4.49Å; E455-I483 HydrophobicContact CG-CD1 4.18Å; E455-I483 HydrophobicContact CG-CG2 3.96Å; E455-I483 WeakPolarHBondContact OE1-CG2 3.2Å; L458-I483 HydrophobicContact CB-CD1 4Å; L458-I483 HydrophobicContact CB-CG1 4.41Å; L458-I483 HydrophobicContact CD1-CG1 4.39Å; I459-I483 HydrophobicContact CD1-CD1 4.18Å; I459-I483 HydrophobicContact CG1-CD1 3.39Å; V479-I483 HydrophobicContact CG1-CD1 4.02Å; V479-I483 PolarHBondContact O-N 3.42Å; L480-I483 PolarHBondContact O-N 2.78Å; I483-F485 PolarHBondContact O-N 2.85Å; I483-F486 WeakPolarHBondContact O-CB 3.29Å; I483-F486 PolarHBondContact O-N 3.46Å; I483-K487 HydrophobicContact CG2-CD 4.37Å; I483-K487 WeakPolarHBondContact O-CG 3.26Å; I483-K487 PolarHBondContact O-N 3.07Å
484S73Confident78.9Confident53 Ų5341.1 Ų41.137%0.37122%0.219SC..Hα-helixtrans-58.3-44.5176.1-178.60000112.8L480 Q481 K487 H488L480-S484 VanDerWaalsContact O-CB 3.27Å; L480-S484 WeakPolarHBondContact O-CB 3.44Å; L480-S484 PolarHBondContact O-N 3.23Å; Q481-S484 WeakPolarHBondContact O-CB 3.17Å; Q481-S484 PolarHBondContact O-N 2.74Å; S484-K487 WeakPolarHBondContact O-CB 3.28Å; S484-K487 PolarHBondContact O-N 3.3Å; S484-H488 WeakPolarHBondContact O-CB 3.19Å; S484-H488 PolarHBondContact O-CD2 3.14Å; S484-H488 VanDerWaalsContact O-CD2 3.26Å; S484-H488 PolarHBondContact O-N 2.79Å; S484-H488 PolarHBondContact OG-CD2 2.83Å
485F76.5Confident79.5Confident41 Ų4142.6 Ų42.618%0.1823%0.225CC..Hα-helixtrans-67.1-38.4175.2178.5-87.7000113.2S388 C430 H431 Q481 I483 K487 H488 C489 T490S388-F485 WeakPolarHBondContact O-CB 3.16Å; S388-F485 VanDerWaalsContact O-CD2 3.24Å; S388-F485 WeakPolarHBondContact O-CD2 3.47Å; S388-F485 VanDerWaalsContact OG-CB 3.25Å; S388-F485 WeakPolarHBondContact OG-CB 3.23Å; C430-F485 HydrophobicContact CB-CE1 4.09Å; H431-F485 HydrophobicContact CB-CZ 4.29Å; Q481-F485 PolarHBondContact O-N 3.32Å; I483-F485 PolarHBondContact O-N 2.85Å; F485-K487 VanDerWaalsContact C-N 3.27Å; F485-K487 PolarHBondContact O-N 3.12Å; F485-H488 PolarHBondContact O-N 2.82Å; F485-C489 HydrophobicContact CD1-CB 4.19Å; F485-C489 HydrophobicContact CD2-CB 3.82Å; F485-C489 VanDerWaalsContact CD2-SG 3.59Å; F485-C489 HydrophobicContact CE1-CB 4.08Å; F485-C489 HydrophobicContact CE2-CB 3.73Å; F485-C489 HydrophobicContact CG-CB 4.06Å; F485-C489 HydrophobicContact CZ-CB 3.86Å; F485-C489 WeakPolarHBondContact O-CA 3.34Å; F485-C489 VanDerWaalsContact O-CB 3.26Å; F485-C489 WeakPolarHBondContact O-CB 3.48Å; F485-C489 PolarHBondContact O-N 2.94Å; F485-T490 PolarHBondContact O-N 3.25Å
486F83.6Confident80.3Confident20 Ų2038.9 Ų38.99%0.08821%0.207CC..Iπ-helixtrans-57.1-47.6172.9-179.9-99000110.3G333 L450 R482 I483 T490 L491 I494G333-F486 WeakPolarHBondContact O-CE2 3.41Å; L450-F486 HydrophobicContact CD1-CZ 3.91Å; R482-F486 PolarHBondContact O-N 2.97Å; I483-F486 WeakPolarHBondContact O-CB 3.29Å; I483-F486 PolarHBondContact O-N 3.46Å; F486-T490 HydrophobicContact CD2-CG2 3.67Å; F486-T490 HydrophobicContact CE2-CG2 3.65Å; F486-T490 CarbonylContact O-C 3.56Å; F486-T490 WeakPolarHBondContact O-CA 3.23Å; F486-T490 WeakPolarHBondContact O-CB 3.37Å; F486-T490 PolarHBondContact O-N 2.98Å; F486-T490 VanDerWaalsContact O-N 3.15Å; F486-L491 HydrophobicContact CD1-CD2 4.45Å; F486-L491 HydrophobicContact CD1-CG 4.39Å; F486-L491 HydrophobicContact CE1-CD2 3.69Å; F486-L491 HydrophobicContact CE1-CG 4.1Å; F486-L491 HydrophobicContact CZ-CD2 3.93Å; F486-L491 PolarHBondContact O-N 2.73Å; F486-I494 HydrophobicContact CE2-CD1 3.91Å; F486-I494 HydrophobicContact CZ-CD1 3.82Å
487K78.7Confident81Confident79 Ų7934.2 Ų34.234%0.34318%0.182SC..Iπ-helixtrans-61.4-45.3177.5-71.1179.4176.4-175.80113.2E455 I483 S484 F485 L491E455-K487 VanDerWaalsContact CD-NZ 3.28Å; E455-K487 IonicContact OE1-NZ 3.52Å; E455-K487 PolarHBondContact OE1-NZ 2.88Å; E455-K487 WeakPolarHBondContact OE2-CE 3.33Å; E455-K487 IonicContact OE2-NZ 3.06Å; E455-K487 PolarHBondContact OE2-NZ 2.81Å; I483-K487 HydrophobicContact CG2-CD 4.37Å; I483-K487 WeakPolarHBondContact O-CG 3.26Å; I483-K487 PolarHBondContact O-N 3.07Å; S484-K487 WeakPolarHBondContact O-CB 3.28Å; S484-K487 PolarHBondContact O-N 3.3Å; F485-K487 VanDerWaalsContact C-N 3.27Å; F485-K487 PolarHBondContact O-N 3.12Å; K487-L491 HydrophobicContact CB-CD1 4.47Å; K487-L491 WeakPolarHBondContact O-CB 3.46Å
488H75.6Confident81.9Confident107 Ų10733.3 Ų33.350%0.49517%0.167SC..Iπ-helixtrans-95.8-21.3-169.7-66.3-47.4000115.2S484 F485 P492S484-H488 WeakPolarHBondContact O-CB 3.19Å; S484-H488 PolarHBondContact O-CD2 3.14Å; S484-H488 VanDerWaalsContact O-CD2 3.26Å; S484-H488 PolarHBondContact O-N 2.79Å; S484-H488 PolarHBondContact OG-CD2 2.83Å; F485-H488 PolarHBondContact O-N 2.82Å; H488-P492 WeakPolarHBondContact O-CG 3.27Å
489C77.7Confident82.6Confident37 Ų3736 Ų3625%0.2518%0.178CC..Iπ-helixtrans-118.3-40.7-176.2-58.90000112.4C430 H431 F485C430-C489 CarbonylContact O-C 3.52Å; H431-C489 HydrophobicContact CB-CB 4Å; F485-C489 HydrophobicContact CD1-CB 4.19Å; F485-C489 HydrophobicContact CD2-CB 3.82Å; F485-C489 VanDerWaalsContact CD2-SG 3.59Å; F485-C489 HydrophobicContact CE1-CB 4.08Å; F485-C489 HydrophobicContact CE2-CB 3.73Å; F485-C489 HydrophobicContact CG-CB 4.06Å; F485-C489 HydrophobicContact CZ-CB 3.86Å; F485-C489 WeakPolarHBondContact O-CA 3.34Å; F485-C489 VanDerWaalsContact O-CB 3.26Å; F485-C489 WeakPolarHBondContact O-CB 3.48Å; F485-C489 PolarHBondContact O-N 2.94Å
490T86Confident83Confident4 Ų439.7 Ų39.73%0.02519%0.193CC..Iπ-helixtrans-84.7-42.7-176.4-50.20000113.4C430 F485 F486 P492 V493 I494C430-T490 HydrophobicContact CB-CG2 4.32Å; C430-T490 WeakPolarHBondContact O-CA 3.5Å; C430-T490 WeakPolarHBondContact O-CB 3.21Å; C430-T490 PolarHBondContact O-N 3.15Å; C430-T490 PolarHBondContact O-OG1 3.31Å; F485-T490 PolarHBondContact O-N 3.25Å; F486-T490 HydrophobicContact CD2-CG2 3.67Å; F486-T490 HydrophobicContact CE2-CG2 3.65Å; F486-T490 CarbonylContact O-C 3.56Å; F486-T490 WeakPolarHBondContact O-CA 3.23Å; F486-T490 WeakPolarHBondContact O-CB 3.37Å; F486-T490 PolarHBondContact O-N 2.98Å; F486-T490 VanDerWaalsContact O-N 3.15Å; T490-P492 VanDerWaalsContact C-N 3.31Å; T490-V493 WeakPolarHBondContact O-CB 3.47Å; T490-V493 PolarHBondContact O-N 2.56Å; T490-I494 HydrophobicContact CG2-CD1 3.94Å; T490-I494 HydrophobicContact CG2-CG1 4.42Å; T490-I494 WeakPolarHBondContact O-CG1 3.35Å; T490-I494 PolarHBondContact O-N 3.3Å
491L88.2Confident83.4Confident37 Ų3735.8 Ų35.819%0.19418%0.177CC..Hα-helixtrans-55.4-39.6174.8-70-177.8000113.1I307 F486 K487 V493 I494 R495I307-L491 HydrophobicContact CD1-CB 4.01Å; I307-L491 HydrophobicContact CD1-CD1 4.05Å; I307-L491 HydrophobicContact CD1-CG 4.49Å; I307-L491 HydrophobicContact CG1-CB 4.08Å; I307-L491 HydrophobicContact CG1-CD1 4.21Å; I307-L491 VanDerWaalsContact CG2-C 3.44Å; I307-L491 HydrophobicContact CG2-CB 3.94Å; F486-L491 HydrophobicContact CD1-CD2 4.45Å; F486-L491 HydrophobicContact CD1-CG 4.39Å; F486-L491 HydrophobicContact CE1-CD2 3.69Å; F486-L491 HydrophobicContact CE1-CG 4.1Å; F486-L491 HydrophobicContact CZ-CD2 3.93Å; F486-L491 PolarHBondContact O-N 2.73Å; K487-L491 HydrophobicContact CB-CD1 4.47Å; K487-L491 WeakPolarHBondContact O-CB 3.46Å; L491-V493 VanDerWaalsContact C-N 3.32Å; L491-V493 PolarHBondContact O-N 3.31Å; L491-I494 HydrophobicContact CD2-CD1 4.01Å; L491-I494 WeakPolarHBondContact O-CB 3.46Å; L491-I494 PolarHBondContact O-N 2.78Å; L491-R495 WeakPolarHBondContact O-CB 3.49Å; L491-R495 PolarHBondContact O-N 3.03Å
492P84.4Confident84.4Confident5 Ų534.1 Ų34.13%0.03217%0.169CC..Hα-helixtrans-57-39.4171.5-31.138.1000114.8I307 P308 I310 H488 T490 R495 Y496I307-P492 HydrophobicContact CG2-CB 4.34Å; I307-P492 HydrophobicContact CG2-CG 3.98Å; P308-P492 HydrophobicContact CG-CB 4.39Å; P308-P492 HydrophobicContact CG-CG 3.7Å; P308-P492 WeakPolarHBondContact O-CB 3.41Å; I310-P492 HydrophobicContact CD1-CB 4.5Å; I310-P492 HydrophobicContact CG2-CB 3.84Å; H488-P492 WeakPolarHBondContact O-CG 3.27Å; T490-P492 VanDerWaalsContact C-N 3.31Å; P492-R495 PolarHBondContact O-N 3.48Å; P492-Y496 PolarHBondContact O-N 2.9Å
493V89.3Confident85.2Confident0 Ų033.2 Ų33.20%017%0.166CC..Hα-helixtrans-69.9-39.6175.6176.70000111.2I310 P429 H431 L435 T490 L491 R495 Y496 Y497I310-V493 HydrophobicContact CD1-CB 4.34Å; I310-V493 HydrophobicContact CD1-CG2 3.78Å; P429-V493 HydrophobicContact CB-CG1 4.46Å; P429-V493 HydrophobicContact CG-CG1 4.01Å; H431-V493 VanDerWaalsContact CA-CG2 3.46Å; L435-V493 HydrophobicContact CB-CG1 4.43Å; L435-V493 HydrophobicContact CB-CG2 4.44Å; L435-V493 HydrophobicContact CD2-CG1 4.48Å; T490-V493 WeakPolarHBondContact O-CB 3.47Å; T490-V493 PolarHBondContact O-N 2.56Å; L491-V493 VanDerWaalsContact C-N 3.32Å; L491-V493 PolarHBondContact O-N 3.31Å; V493-R495 VanDerWaalsContact C-N 3.34Å; V493-Y496 WeakPolarHBondContact O-CB 3.48Å; V493-Y496 PolarHBondContact O-N 3.26Å; V493-Y497 HydrophobicContact CG1-CD2 4.11Å; V493-Y497 HydrophobicContact CG1-CE2 3.69Å; V493-Y497 WeakPolarHBondContact O-CD2 3.38Å; V493-Y497 PolarHBondContact O-N 3.03Å
494I93.4Very high85.8Confident8 Ų833.1 Ų33.14%0.04117%0.166CC..Hα-helixtrans-61.2-44.7173.9-69161.8000110.5L332 L450 F486 T490 L491 Y496 Y497 D498 L503L332-I494 HydrophobicContact CB-CD1 4.37Å; L332-I494 HydrophobicContact CB-CG1 4.44Å; L332-I494 HydrophobicContact CD1-CD1 4.38Å; L332-I494 HydrophobicContact CD1-CG1 3.62Å; L450-I494 HydrophobicContact CD1-CD1 3.91Å; L450-I494 HydrophobicContact CD2-CD1 4.49Å; L450-I494 HydrophobicContact CD2-CG2 4.19Å; F486-I494 HydrophobicContact CE2-CD1 3.91Å; F486-I494 HydrophobicContact CZ-CD1 3.82Å; T490-I494 HydrophobicContact CG2-CD1 3.94Å; T490-I494 HydrophobicContact CG2-CG1 4.42Å; T490-I494 WeakPolarHBondContact O-CG1 3.35Å; T490-I494 PolarHBondContact O-N 3.3Å; L491-I494 HydrophobicContact CD2-CD1 4.01Å; L491-I494 WeakPolarHBondContact O-CB 3.46Å; L491-I494 PolarHBondContact O-N 2.78Å; I494-Y496 VanDerWaalsContact C-N 3.31Å; I494-Y496 PolarHBondContact O-N 3.4Å; I494-Y497 PolarHBondContact O-N 3.38Å; I494-D498 PolarHBondContact O-N 3.38Å; I494-L503 HydrophobicContact CG2-CD1 3.97Å; I494-L503 HydrophobicContact CG2-CD2 3.52Å; I494-L503 HydrophobicContact CG2-CG 4.4Å
495R88.3Confident86.7Confident31 Ų3133.3 Ų33.312%0.11717%0.165CC..Hα-helixtrans-56.1-45174.9178.3-178.9177.1138.720.9111.3D238 I307 L491 P492 V493 Y497 D498 E499D238-R495 VanDerWaalsContact CG-NH2 3.32Å; D238-R495 IonicContact OD1-CZ 3.8Å; D238-R495 IonicContact OD1-NH1 2.64Å; D238-R495 PolarHBondContact OD1-NH1 3.42Å; D238-R495 IonicContact OD1-NH2 2.68Å; D238-R495 PolarHBondContact OD1-NH2 3.22Å; D238-R495 VanDerWaalsContact OD1-NH2 3.08Å; D238-R495 IonicContact OD2-CZ 2.73Å; D238-R495 IonicContact OD2-NH1 2.65Å; D238-R495 IonicContact OD2-NH2 2.64Å; D238-R495 PolarHBondContact OD2-NH2 3.29Å; I307-R495 HydrophobicContact CG2-CB 3.98Å; I307-R495 PolarHBondContact O-NH1 3.14Å; L491-R495 WeakPolarHBondContact O-CB 3.49Å; L491-R495 PolarHBondContact O-N 3.03Å; P492-R495 PolarHBondContact O-N 3.48Å; V493-R495 VanDerWaalsContact C-N 3.34Å; R495-Y497 PolarHBondContact O-N 2.81Å; R495-D498 PolarHBondContact O-N 3.02Å; R495-D498 VanDerWaalsContact O-N 3.14Å; R495-E499 HydrophobicContact CG-CG 4.36Å; R495-E499 IonicContact CZ-OE1 3.72Å; R495-E499 IonicContact NE-OE1 3.2Å; R495-E499 PolarHBondContact NE-OE1 3.06Å; R495-E499 IonicContact NH2-OE1 2.72Å; R495-E499 WeakPolarHBondContact O-CG 3.42Å; R495-E499 PolarHBondContact O-N 3.12Å
496Y90.3Very high87.5Confident16 Ų1631.4 Ų31.46%0.06316%0.156CC..Hα-helixtrans-55.1-38.9175.2170-95.1000112.9P312 D316 L435 P492 V493 I494 R500P312-Y496 VanDerWaalsContact CD-CE2 3.47Å; P312-Y496 HydrophobicContact CG-CD2 4.04Å; P312-Y496 HydrophobicContact CG-CE2 3.42Å; P312-Y496 VanDerWaalsContact CG-CE2 3.42Å; D316-Y496 WeakPolarHBondContact CB-OH 3.36Å; D316-Y496 PolarHBondContact N-OH 3Å; L435-Y496 HydrophobicContact CD1-CD1 3.89Å; L435-Y496 HydrophobicContact CD1-CE1 3.8Å; L435-Y496 HydrophobicContact CD2-CD1 3.6Å; L435-Y496 HydrophobicContact CD2-CD2 4.28Å; L435-Y496 HydrophobicContact CD2-CE1 3.98Å; L435-Y496 HydrophobicContact CD2-CG 3.77Å; L435-Y496 HydrophobicContact CG-CD1 4.37Å; L435-Y496 HydrophobicContact CG-CE1 4.4Å; P492-Y496 PolarHBondContact O-N 2.9Å; V493-Y496 WeakPolarHBondContact O-CB 3.48Å; V493-Y496 PolarHBondContact O-N 3.26Å; I494-Y496 VanDerWaalsContact C-N 3.31Å; I494-Y496 PolarHBondContact O-N 3.4Å; Y496-R500 WeakPolarHBondContact O-CD 3.47Å; Y496-R500 WeakPolarHBondContact O-CG 3.36Å
497Y92.7Very high87.8Confident0 Ų032.5 Ų32.50%017%0.165CC..Hα-helixtrans-79-31.6176.5-67.9-63.1000113.7L330 P429 L435 V445 V448 V493 I494 R495 R500 G501 K502L330-Y497 HydrophobicContact CD1-CD2 4.49Å; L330-Y497 HydrophobicContact CD1-CE2 3.74Å; P429-Y497 HydrophobicContact CG-CE2 4.19Å; P429-Y497 WeakPolarHBondContact CG-OH 3.44Å; L435-Y497 HydrophobicContact CD1-CE1 4.39Å; L435-Y497 HydrophobicContact CD1-CE2 4.2Å; L435-Y497 VanDerWaalsContact CD1-OH 3.22Å; L435-Y497 WeakPolarHBondContact CD1-OH 3.35Å; V445-Y497 HydrophobicContact CB-CE1 3.96Å; V445-Y497 HydrophobicContact CG1-CE1 4.38Å; V445-Y497 HydrophobicContact CG2-CE1 3.72Å; V448-Y497 HydrophobicContact CG1-CD2 4.5Å; V448-Y497 HydrophobicContact CG2-CD1 3.95Å; V448-Y497 HydrophobicContact CG2-CD2 3.88Å; V448-Y497 HydrophobicContact CG2-CE1 4.5Å; V448-Y497 HydrophobicContact CG2-CE2 4.42Å; V448-Y497 HydrophobicContact CG2-CG 3.61Å; V493-Y497 HydrophobicContact CG1-CD2 4.11Å; V493-Y497 HydrophobicContact CG1-CE2 3.69Å; V493-Y497 WeakPolarHBondContact O-CD2 3.38Å; V493-Y497 PolarHBondContact O-N 3.03Å; I494-Y497 PolarHBondContact O-N 3.38Å; R495-Y497 PolarHBondContact O-N 2.81Å; Y497-R500 PolarHBondContact O-N 3.47Å; Y497-G501 PolarHBondContact O-N 2.87Å; Y497-K502 HydrophobicContact CD1-CD 4.4Å; Y497-K502 PolarHBondContact O-N 3.03Å
498D89.1Confident88.4Confident51 Ų5128.8 Ų28.827%0.27315%0.149SC..Hα-helixtrans-63.4-45.8173.5-16928.3000111.5K235 I494 R495 R500 G501 L503K235-D498 WeakPolarHBondContact CE-OD2 3.49Å; K235-D498 IonicContact NZ-OD1 3.06Å; K235-D498 PolarHBondContact NZ-OD1 3.22Å; K235-D498 IonicContact NZ-OD2 3.46Å; K235-D498 PolarHBondContact NZ-OD2 3.42Å; I494-D498 PolarHBondContact O-N 3.38Å; R495-D498 PolarHBondContact O-N 3.02Å; R495-D498 VanDerWaalsContact O-N 3.14Å; D498-R500 PolarHBondContact O-N 3.2Å; D498-R500 VanDerWaalsContact O-N 3.07Å; D498-G501 PolarHBondContact O-N 2.91Å; D498-L503 HydrophobicContact CB-CB 3.99Å; D498-L503 HydrophobicContact CB-CD2 3.69Å; D498-L503 HydrophobicContact CB-CG 4.5Å
499E85Confident89.1Confident69 Ų6926.1 Ų26.132%0.32214%0.138SC..THydrogen-bonded Turntrans-61.5-19.2177.4-70.7178.3-176.800113R309 R495R309-E499 IonicContact CZ-OE1 3.47Å; R309-E499 IonicContact CZ-OE2 3.36Å; R309-E499 VanDerWaalsContact NE-CD 3.33Å; R309-E499 IonicContact NE-OE1 3.18Å; R309-E499 PolarHBondContact NE-OE1 2.61Å; R309-E499 VanDerWaalsContact NE-OE1 3.16Å; R309-E499 IonicContact NE-OE2 3.46Å; R309-E499 PolarHBondContact NE-OE2 2.91Å; R309-E499 VanDerWaalsContact NH2-CD 3.28Å; R309-E499 IonicContact NH2-OE1 2.62Å; R309-E499 IonicContact NH2-OE2 3.21Å; R309-E499 PolarHBondContact NH2-OE2 3.17Å; R495-E499 HydrophobicContact CG-CG 4.36Å; R495-E499 IonicContact CZ-OE1 3.72Å; R495-E499 IonicContact NE-OE1 3.2Å; R495-E499 PolarHBondContact NE-OE1 3.06Å; R495-E499 IonicContact NH2-OE1 2.72Å; R495-E499 WeakPolarHBondContact O-CG 3.42Å; R495-E499 PolarHBondContact O-N 3.12Å
500R86.3Confident89.6Confident80 Ų8026.6 Ų26.630%0.30214%0.137SC..THydrogen-bonded Turntrans-98.59.1175.8-64.1169.875.277.7-5.3112.5D316 Y496 Y497 D498 K502D316-R500 PolarHBondContact O-NH2 2.83Å; D316-R500 IonicContact OD2-NE 3.58Å; D316-R500 IonicContact OD2-NH2 3.89Å; D316-R500 PolarHBondContact OD2-NH2 3.43Å; Y496-R500 WeakPolarHBondContact O-CD 3.47Å; Y496-R500 WeakPolarHBondContact O-CG 3.36Å; Y497-R500 PolarHBondContact O-N 3.47Å; D498-R500 PolarHBondContact O-N 3.2Å; D498-R500 VanDerWaalsContact O-N 3.07Å; R500-K502 HydrophobicContact CB-CG 4.31Å; R500-K502 PolarHBondContact O-N 2.73Å
501G85.7Confident89.9Confident20 Ų2033.1 Ų33.121%0.20617%0.167CC..THydrogen-bonded Turntrans64.424.8179.800000114Y497 D498 I549Y497-G501 PolarHBondContact O-N 2.87Å; D498-G501 PolarHBondContact O-N 2.91Å; G501-I549 WeakPolarHBondContact O-CD1 3.22Å
502K91.3Very high90.1Very high28 Ų2834 Ų3412%0.12217%0.171CC..  trans-100.7-8.2-177.2-64.1-173.7177.4-169.50114.1D316 V445 V448 Y497 R500 I549D316-K502 IonicContact OD2-NZ 4Å; D316-K502 PolarHBondContact OD2-NZ 2.56Å; V445-K502 WeakPolarHBondContact O-CD 3.47Å; V445-K502 VanDerWaalsContact O-CE 3.31Å; V445-K502 WeakPolarHBondContact O-CE 3.34Å; V445-K502 PolarHBondContact O-NZ 3.05Å; V448-K502 HydrophobicContact CG2-CB 4.41Å; V448-K502 PolarHBondContact N-O 3.45Å; Y497-K502 HydrophobicContact CD1-CD 4.4Å; Y497-K502 PolarHBondContact O-N 3.03Å; R500-K502 HydrophobicContact CB-CG 4.31Å; R500-K502 PolarHBondContact O-N 2.73Å; K502-I549 VanDerWaalsContact CA-CD1 3.44Å; K502-I549 WeakPolarHBondContact O-CD1 3.35Å
503L93.8Very high90.5Very high10 Ų1036.6 Ų36.65%0.05219%0.189CC..EExtended strand (participates in β ladder)trans-94.4125.9-173.4-178.266.4000113.6V448 L450 I494 D498 I549V448-L503 HydrophobicContact CB-CD1 4.12Å; V448-L503 HydrophobicContact CG1-CD1 3.68Å; V448-L503 CarbonylContact O-C 3.21Å; V448-L503 WeakPolarHBondContact O-CA 3.46Å; L450-L503 HydrophobicContact CB-CD1 3.79Å; I494-L503 HydrophobicContact CG2-CD1 3.97Å; I494-L503 HydrophobicContact CG2-CD2 3.52Å; I494-L503 HydrophobicContact CG2-CG 4.4Å; D498-L503 HydrophobicContact CB-CB 3.99Å; D498-L503 HydrophobicContact CB-CD2 3.69Å; D498-L503 HydrophobicContact CB-CG 4.5Å; L503-I549 WeakPolarHBondContact O-CG2 3.42Å
504V93.3Very high90.7Very high0 Ų039.2 Ų39.20%020%0.202CC..EExtended strand (participates in β ladder)trans-109.1124.5162.6178.50000108.9L447 V448 I449 L450 I506 V522 I549 I552 L556L447-V504 HydrophobicContact CD1-CB 4.48Å; L447-V504 HydrophobicContact CD1-CG2 3.78Å; V448-V504 PolarHBondContact O-N 2.74Å; I449-V504 CarbonylContact C-O 3.52Å; I449-V504 VanDerWaalsContact CA-O 3.29Å; I449-V504 WeakPolarHBondContact CA-O 3.26Å; L450-V504 PolarHBondContact N-O 3.08Å; V504-I506 HydrophobicContact CG1-CG1 4.43Å; V504-V522 HydrophobicContact CG1-CG1 4.35Å; V504-V522 HydrophobicContact CG1-CG2 3.98Å; V504-V522 HydrophobicContact CG2-CG1 4.42Å; V504-I549 HydrophobicContact CG2-CB 4.31Å; V504-I549 HydrophobicContact CG2-CD1 4.47Å; V504-I549 HydrophobicContact CG2-CG1 3.86Å; V504-I549 HydrophobicContact CG2-CG2 3.88Å; V504-I552 HydrophobicContact CG1-CG2 4.19Å; V504-I552 HydrophobicContact CG2-CG2 4.46Å; V504-L556 HydrophobicContact CG1-CD1 3.97Å
505T92.6Very high90.7Very high57 Ų5738.9 Ų38.935%0.3520%0.201SC..EExtended strand (participates in β ladder)trans-100.6128.4175.9-53.40000110.6L450 D452L450-T505 HydrophobicContact CB-CG2 4.48Å; L450-T505 HydrophobicContact CD2-CG2 4.08Å; L450-T505 HydrophobicContact CG-CG2 4.28Å; D452-T505 HydrophobicContact CB-CG2 3.54Å
506I92.4Very high91.1Very high0 Ų039.9 Ų39.90%021%0.206CC..EExtended strand (participates in β ladder)trans-114.7128175.3-61.3178.1000108.3I449 L450 L451 D452 V504 G508 I515 H518 L519 V522 L556I449-I506 HydrophobicContact CG2-CD1 3.78Å; I449-I506 HydrophobicContact CG2-CG1 4.2Å; L450-I506 PolarHBondContact O-N 3.37Å; L451-I506 HydrophobicContact CD2-CB 4.13Å; L451-I506 HydrophobicContact CD2-CG2 4.34Å; D452-I506 PolarHBondContact N-O 2.82Å; V504-I506 HydrophobicContact CG1-CG1 4.43Å; I506-G508 PolarHBondContact O-N 3.22Å; I506-I515 HydrophobicContact CG2-CG2 4.31Å; I506-H518 HydrophobicContact CD1-CB 4.26Å; I506-H518 HydrophobicContact CG2-CB 4Å; I506-L519 HydrophobicContact CD1-CB 4.44Å; I506-L519 HydrophobicContact CD1-CD2 3.47Å; I506-L519 VanDerWaalsContact CD1-CD2 3.47Å; I506-L519 HydrophobicContact CD1-CG 3.68Å; I506-V522 HydrophobicContact CD1-CG2 4.16Å; I506-L556 HydrophobicContact CG1-CD1 4.2Å
507P89.8Confident91.2Very high44 Ų4445.2 Ų45.229%0.28623%0.23SC..EExtended strand (participates in β ladder)trans-59.9120.1172.6-21.132.4000111Q510P507-Q510 HydrophobicContact CB-CG 4.27Å
508G91.7Very high91.2Very high0 Ų045.4 Ų45.40%023%0.23CC..  trans-97.4-8.4-177.200000114.6D452 C453 R461 I506 Q510 I515D452-G508 WeakPolarHBondContact O-CA 3.47Å; D452-G508 PolarHBondContact O-N 2.86Å; C453-G508 VanDerWaalsContact SG-CA 3.57Å; R461-G508 PolarHBondContact NH1-O 2.94Å; R461-G508 PolarHBondContact NH2-O 3.1Å; I506-G508 PolarHBondContact O-N 3.22Å; G508-Q510 PolarHBondContact O-N 3.2Å; G508-Q510 VanDerWaalsContact O-N 3.14Å; G508-I515 WeakPolarHBondContact O-CD1 3.01Å
509D90.2Very high91.5Very high51 Ų5143 Ų4327%0.27322%0.217SC..SBendtrans-81.731.6173.3-50.8-70.2000113.1C453 E454 T457C453-D509 WeakPolarHBondContact CA-OD1 3.39Å; C453-D509 WeakPolarHBondContact CA-OD2 3.44Å; E454-D509 VanDerWaalsContact N-CG 3.34Å; E454-D509 PolarHBondContact N-OD1 2.87Å; E454-D509 PolarHBondContact N-OD2 3.05Å; E454-D509 VanDerWaalsContact N-OD2 3.09Å; T457-D509 WeakPolarHBondContact CB-OD1 3.43Å; T457-D509 WeakPolarHBondContact CG2-OD1 3.49Å; T457-D509 PolarHBondContact OG1-OD1 3.15Å
510Q88.7Confident92Very high48 Ų4840.7 Ų40.722%0.22421%0.208CC..SBendtrans-119.7173.2-177.6-61.8-175.1-1700110.6P507 G508 Q512 L514 I515P507-Q510 HydrophobicContact CB-CG 4.27Å; G508-Q510 PolarHBondContact O-N 3.2Å; G508-Q510 VanDerWaalsContact O-N 3.14Å; Q510-Q512 PolarHBondContact O-N 3.38Å; Q510-L514 HydrophobicContact CB-CD2 4.34Å; Q510-L514 VanDerWaalsContact OE1-CD2 3.26Å; Q510-I515 HydrophobicContact CB-CD1 4.49Å; Q510-I515 HydrophobicContact CB-CG1 4.07Å; Q510-I515 WeakPolarHBondContact O-CD1 3.41Å
511E90.7Very high92.2Very high141 Ų14139.1 Ų39.166%0.65921%0.212SC*.  trans-58.6137.6171.2-67.1-174.4177.600110.8S513 L514 I515E511-S513 PolarHBondContact O-N 3.23Å; E511-S513 VanDerWaalsContact O-N 3.08Å; E511-L514 WeakPolarHBondContact O-CB 3.04Å; E511-L514 PolarHBondContact O-N 3.4Å; E511-I515 PolarHBondContact O-N 2.78Å; E511-I515 VanDerWaalsContact O-N 3.1Å
512Q92.4Very high92.6Very high56 Ų5638.2 Ų38.226%0.26220%0.202SC..Hα-helixtrans-53.7-34.7-179.3-65.8-60.6-23.600112.4Q342 Q510 L514 F516Q342-Q512 PolarHBondContact NE2-O 3.42Å; Q342-Q512 VanDerWaalsContact NE2-O 3.13Å; Q510-Q512 PolarHBondContact O-N 3.38Å; Q512-L514 VanDerWaalsContact C-N 3.34Å; Q512-L514 PolarHBondContact O-N 2.87Å; Q512-F516 VanDerWaalsContact O-CB 3.3Å; Q512-F516 WeakPolarHBondContact O-CB 3.11Å; Q512-F516 PolarHBondContact O-N 2.95Å
513S93.6Very high92.6Very high59 Ų5936.9 Ų36.941%0.41320%0.197SC..Hα-helixtrans-65.4-34.2177.778.10000113.2E511 K517E511-S513 PolarHBondContact O-N 3.23Å; E511-S513 VanDerWaalsContact O-N 3.08Å; S513-K517 VanDerWaalsContact O-CG 3.29Å; S513-K517 WeakPolarHBondContact O-CG 3.41Å; S513-K517 PolarHBondContact O-N 3.26Å; S513-K517 VanDerWaalsContact O-N 3.14Å
514L92.5Very high92.5Very high55 Ų5542.1 Ų42.129%0.28822%0.221SC..Hα-helixtrans-78.1-43.2178.3-176.659.1000110.9Q510 E511 Q512 F516 K517 H518Q510-L514 HydrophobicContact CB-CD2 4.34Å; Q510-L514 VanDerWaalsContact OE1-CD2 3.26Å; E511-L514 WeakPolarHBondContact O-CB 3.04Å; E511-L514 PolarHBondContact O-N 3.4Å; Q512-L514 VanDerWaalsContact C-N 3.34Å; Q512-L514 PolarHBondContact O-N 2.87Å; L514-F516 VanDerWaalsContact C-N 3.27Å; L514-F516 PolarHBondContact O-N 3.43Å; L514-K517 WeakPolarHBondContact O-CB 3.35Å; L514-K517 PolarHBondContact O-N 2.78Å; L514-H518 PolarHBondContact O-CD2 2.75Å; L514-H518 VanDerWaalsContact O-CD2 3.26Å; L514-H518 PolarHBondContact O-N 3.22Å
515I93.4Very high92.3Very high0 Ų045.4 Ų45.40%024%0.235CC..Hα-helixtrans-55.1-47.1172.4-60170.5000109.7Q342 L451 I506 G508 Q510 E511 K517 H518 L519Q342-I515 HydrophobicContact CG-CG2 4.27Å; L451-I515 HydrophobicContact CD2-CG2 3.88Å; I506-I515 HydrophobicContact CG2-CG2 4.31Å; G508-I515 WeakPolarHBondContact O-CD1 3.01Å; Q510-I515 HydrophobicContact CB-CD1 4.49Å; Q510-I515 HydrophobicContact CB-CG1 4.07Å; Q510-I515 WeakPolarHBondContact O-CD1 3.41Å; E511-I515 PolarHBondContact O-N 2.78Å; E511-I515 VanDerWaalsContact O-N 3.1Å; I515-K517 PolarHBondContact O-N 3.49Å; I515-H518 WeakPolarHBondContact O-CB 3.23Å; I515-H518 PolarHBondContact O-N 2.72Å; I515-L519 HydrophobicContact CG2-CD1 4Å; I515-L519 WeakPolarHBondContact O-CG 3.5Å; I515-L519 PolarHBondContact O-N 3.26Å
516F96.8Very high92.2Very high53 Ų5343.2 Ų43.223%0.23222%0.221CC..Hα-helixtrans-62.2-43178.5-175.6-115.7000112.6L346 K349 Q512 L514 H518 L519 V520L346-F516 HydrophobicContact CD2-CE2 4.03Å; L346-F516 HydrophobicContact CG-CE2 4.16Å; K349-F516 HydrophobicContact CB-CZ 3.98Å; K349-F516 HydrophobicContact CG-CZ 4.26Å; Q512-F516 VanDerWaalsContact O-CB 3.3Å; Q512-F516 WeakPolarHBondContact O-CB 3.11Å; Q512-F516 PolarHBondContact O-N 2.95Å; L514-F516 VanDerWaalsContact C-N 3.27Å; L514-F516 PolarHBondContact O-N 3.43Å; F516-H518 VanDerWaalsContact C-N 3.32Å; F516-H518 PolarHBondContact O-N 3.22Å; F516-L519 PolarHBondContact O-N 2.79Å; F516-V520 HydrophobicContact CD1-CG2 4.17Å; F516-V520 HydrophobicContact CD2-CG2 4.3Å; F516-V520 HydrophobicContact CE1-CG2 3.81Å; F516-V520 HydrophobicContact CE2-CG2 3.93Å; F516-V520 HydrophobicContact CG-CG2 4.41Å; F516-V520 HydrophobicContact CZ-CG2 3.69Å; F516-V520 WeakPolarHBondContact O-CB 3.25Å; F516-V520 VanDerWaalsContact O-CG2 3.27Å; F516-V520 WeakPolarHBondContact O-CG2 3.44Å; F516-V520 PolarHBondContact O-N 2.93Å
517K94.1Very high92.1Very high128 Ų12843.3 Ų43.356%0.55722%0.221SC*.Hα-helixtrans-58.9-43.8174.9-76.4168.4-174.2167.50112S513 L514 I515 V520 A521S513-K517 VanDerWaalsContact O-CG 3.29Å; S513-K517 WeakPolarHBondContact O-CG 3.41Å; S513-K517 PolarHBondContact O-N 3.26Å; S513-K517 VanDerWaalsContact O-N 3.14Å; L514-K517 WeakPolarHBondContact O-CB 3.35Å; L514-K517 PolarHBondContact O-N 2.78Å; I515-K517 PolarHBondContact O-N 3.49Å; K517-V520 PolarHBondContact O-N 2.65Å; K517-A521 PolarHBondContact O-N 2.74Å
518H91.8Very high92Very high4 Ų448.5 Ų48.52%0.01924%0.235CC..Hα-helixtrans-62.4-47.1176.2-71.5-42.6000111.4I506 L514 I515 F516 V520 A521 V522 L556I506-H518 HydrophobicContact CD1-CB 4.26Å; I506-H518 HydrophobicContact CG2-CB 4Å; L514-H518 PolarHBondContact O-CD2 2.75Å; L514-H518 VanDerWaalsContact O-CD2 3.26Å; L514-H518 PolarHBondContact O-N 3.22Å; I515-H518 WeakPolarHBondContact O-CB 3.23Å; I515-H518 PolarHBondContact O-N 2.72Å; F516-H518 VanDerWaalsContact C-N 3.32Å; F516-H518 PolarHBondContact O-N 3.22Å; H518-V520 PolarHBondContact O-N 3Å; H518-A521 PolarHBondContact O-N 3.1Å; H518-V522 VanDerWaalsContact O-CG2 3.31Å; H518-V522 WeakPolarHBondContact O-CG2 3.3Å; H518-V522 PolarHBondContact O-N 3.39Å; H518-L556 HydrophobicContact CB-CD2 3.68Å; H518-L556 WeakPolarHBondContact ND1-CD2 3.1Å
519L95.5Very high91.5Very high0 Ų051.4 Ų51.40%025%0.25CC..Hα-helixtrans-58-46.2175.4-76.1166.5000112.3L331 Q342 L346 I449 L451 I506 I515 F516 A521 V522 I523L331-L519 HydrophobicContact CD1-CD2 4.25Å; Q342-L519 HydrophobicContact CB-CD1 3.58Å; Q342-L519 HydrophobicContact CG-CD1 3.84Å; Q342-L519 VanDerWaalsContact OE1-CD1 3.31Å; L346-L519 HydrophobicContact CD1-CB 4.24Å; L346-L519 HydrophobicContact CD1-CD1 4.46Å; L346-L519 HydrophobicContact CD1-CD2 4.42Å; L346-L519 HydrophobicContact CD2-CB 4.15Å; I449-L519 HydrophobicContact CD1-CD2 4.06Å; I449-L519 HydrophobicContact CG2-CD2 3.77Å; L451-L519 HydrophobicContact CD2-CD1 4.36Å; L451-L519 HydrophobicContact CD2-CD2 4.33Å; I506-L519 HydrophobicContact CD1-CB 4.44Å; I506-L519 HydrophobicContact CD1-CD2 3.47Å; I506-L519 VanDerWaalsContact CD1-CD2 3.47Å; I506-L519 HydrophobicContact CD1-CG 3.68Å; I515-L519 HydrophobicContact CG2-CD1 4Å; I515-L519 WeakPolarHBondContact O-CG 3.5Å; I515-L519 PolarHBondContact O-N 3.26Å; F516-L519 PolarHBondContact O-N 2.79Å; L519-A521 VanDerWaalsContact C-N 3.31Å; L519-A521 PolarHBondContact O-N 3.14Å; L519-V522 PolarHBondContact O-N 3.49Å; L519-I523 WeakPolarHBondContact O-CB 3.3Å; L519-I523 WeakPolarHBondContact O-CG1 3.46Å; L519-I523 PolarHBondContact O-N 3.17Å
520V94.9Very high91.1Very high21 Ų2153.3 Ų53.313%0.12726%0.256CS..Hα-helixtrans-57-46.2176.1168.10000110.7L346 K349 F350 F516 K517 H518 V522 I523 E524L346-V520 HydrophobicContact CD2-CG2 4.11Å; K349-V520 HydrophobicContact CG-CG2 4.22Å; F350-V520 HydrophobicContact CE2-CB 4.39Å; F350-V520 HydrophobicContact CE2-CG1 4.27Å; F350-V520 HydrophobicContact CE2-CG2 4.14Å; F350-V520 HydrophobicContact CZ-CB 4.4Å; F350-V520 HydrophobicContact CZ-CG1 3.88Å; F516-V520 HydrophobicContact CD1-CG2 4.17Å; F516-V520 HydrophobicContact CD2-CG2 4.3Å; F516-V520 HydrophobicContact CE1-CG2 3.81Å; F516-V520 HydrophobicContact CE2-CG2 3.93Å; F516-V520 HydrophobicContact CG-CG2 4.41Å; F516-V520 HydrophobicContact CZ-CG2 3.69Å; F516-V520 WeakPolarHBondContact O-CB 3.25Å; F516-V520 VanDerWaalsContact O-CG2 3.27Å; F516-V520 WeakPolarHBondContact O-CG2 3.44Å; F516-V520 PolarHBondContact O-N 2.93Å; K517-V520 PolarHBondContact O-N 2.65Å; H518-V520 PolarHBondContact O-N 3Å; V520-V522 PolarHBondContact O-N 2.96Å; V520-I523 PolarHBondContact O-N 3.34Å; V520-E524 WeakPolarHBondContact O-CB 3.46Å; V520-E524 PolarHBondContact O-N 3.4Å
521A91.3Very high90.7Very high46 Ų4656.2 Ų56.238%0.3827%0.269SS..Hα-helixtrans-61.8-42.2178.200000112.5K517 H518 L519 F525K517-A521 PolarHBondContact O-N 2.74Å; H518-A521 PolarHBondContact O-N 3.1Å; L519-A521 VanDerWaalsContact C-N 3.31Å; L519-A521 PolarHBondContact O-N 3.14Å; A521-F525 VanDerWaalsContact O-CB 3.29Å; A521-F525 WeakPolarHBondContact O-CB 3.3Å; A521-F525 PolarHBondContact O-N 3.19Å; A521-F525 VanDerWaalsContact O-N 3.13Å
522V92.9Very high89.7Confident1 Ų154.3 Ų54.31%0.00626%0.26CS..Hα-helixtrans-62.8-50.2176.3177.20000110.8L447 I449 V504 I506 H518 L519 V520 F525 F526 I552 L556L447-V522 HydrophobicContact CD2-CG1 3.96Å; I449-V522 HydrophobicContact CD1-CG1 3.9Å; I449-V522 HydrophobicContact CG1-CG1 4.36Å; V504-V522 HydrophobicContact CG1-CG1 4.35Å; V504-V522 HydrophobicContact CG1-CG2 3.98Å; V504-V522 HydrophobicContact CG2-CG1 4.42Å; I506-V522 HydrophobicContact CD1-CG2 4.16Å; H518-V522 VanDerWaalsContact O-CG2 3.31Å; H518-V522 WeakPolarHBondContact O-CG2 3.3Å; H518-V522 PolarHBondContact O-N 3.39Å; L519-V522 PolarHBondContact O-N 3.49Å; V520-V522 PolarHBondContact O-N 2.96Å; V522-F525 PolarHBondContact O-N 2.94Å; V522-F526 VanDerWaalsContact O-CB 3.24Å; V522-F526 WeakPolarHBondContact O-CB 3.48Å; V522-F526 PolarHBondContact O-N 2.74Å; V522-I552 HydrophobicContact CB-CG2 4.41Å; V522-I552 HydrophobicContact CG1-CG2 4.43Å; V522-I552 HydrophobicContact CG2-CG2 3.67Å; V522-L556 HydrophobicContact CG2-CD1 3.83Å; V522-L556 HydrophobicContact CG2-CD2 4.5Å
523I93.4Very high87.5Confident0 Ų056.6 Ų56.60%028%0.28CS..Hα-helixtrans-67.1-44.2-176.2-65.7-66.1000111.2I329 L346 F350 L353 I449 L519 V520 F525 F526 L527I329-I523 HydrophobicContact CD1-CD1 3.52Å; I329-I523 HydrophobicContact CG2-CD1 4.19Å; L346-I523 HydrophobicContact CD1-CG1 4.11Å; L346-I523 HydrophobicContact CD2-CB 4.47Å; L346-I523 HydrophobicContact CD2-CG1 4.01Å; F350-I523 HydrophobicContact CD1-CG2 4.47Å; F350-I523 HydrophobicContact CD2-CG2 3.82Å; F350-I523 HydrophobicContact CE1-CG2 4.3Å; F350-I523 HydrophobicContact CE2-CB 3.98Å; F350-I523 HydrophobicContact CE2-CG2 3.62Å; F350-I523 HydrophobicContact CG-CG2 4.24Å; F350-I523 HydrophobicContact CZ-CB 4.15Å; F350-I523 HydrophobicContact CZ-CG2 3.87Å; L353-I523 HydrophobicContact CD2-CG2 4.02Å; I449-I523 HydrophobicContact CD1-CD1 3.91Å; I449-I523 HydrophobicContact CD1-CG1 4.49Å; L519-I523 WeakPolarHBondContact O-CB 3.3Å; L519-I523 WeakPolarHBondContact O-CG1 3.46Å; L519-I523 PolarHBondContact O-N 3.17Å; V520-I523 PolarHBondContact O-N 3.34Å; I523-F525 PolarHBondContact O-N 3.18Å; I523-F526 PolarHBondContact O-N 2.87Å; I523-L527 HydrophobicContact CG2-CD1 3.61Å; I523-L527 HydrophobicContact CG2-CG 4.19Å; I523-L527 WeakPolarHBondContact O-CB 3.29Å; I523-L527 VanDerWaalsContact O-CG 3.23Å; I523-L527 WeakPolarHBondContact O-CG 3.44Å; I523-L527 PolarHBondContact O-N 3.07Å
524E91.4Very high85.1Confident120 Ų12063.4 Ų63.456%0.56130%0.302SS*.Hα-helixtrans-61-46.2177.9-174.2174.9179.800111.4F350 V520 R528F350-E524 HydrophobicContact CE1-CB 4.01Å; F350-E524 HydrophobicContact CE1-CG 4.5Å; F350-E524 HydrophobicContact CZ-CB 4.02Å; V520-E524 WeakPolarHBondContact O-CB 3.46Å; V520-E524 PolarHBondContact O-N 3.4Å; E524-R528 VanDerWaalsContact O-CB 3.3Å; E524-R528 WeakPolarHBondContact O-CB 3.48Å; E524-R528 PolarHBondContact O-N 3.35Å
525F88.2Confident82.5Confident70 Ų7067.1 Ų67.131%0.30732%0.322SS..Hα-helixtrans-61.8-48.3176.4-173.3-80.2000111.5A521 V522 I523 R528 M529 I548 I552A521-F525 VanDerWaalsContact O-CB 3.29Å; A521-F525 WeakPolarHBondContact O-CB 3.3Å; A521-F525 PolarHBondContact O-N 3.19Å; A521-F525 VanDerWaalsContact O-N 3.13Å; V522-F525 PolarHBondContact O-N 2.94Å; I523-F525 PolarHBondContact O-N 3.18Å; F525-R528 PolarHBondContact O-N 2.89Å; F525-M529 HydrophobicContact CD1-CG 4.01Å; F525-M529 HydrophobicContact CE1-CG 3.55Å; F525-M529 HydrophobicContact CE1-SD 4.2Å; F525-M529 HydrophobicContact CZ-CG 4.07Å; F525-M529 HydrophobicContact CZ-SD 4.19Å; F525-M529 WeakPolarHBondContact O-CG 3.38Å; F525-M529 PolarHBondContact O-N 2.9Å; F525-M529 VanDerWaalsContact O-N 3.11Å; F525-I548 HydrophobicContact CD1-CG2 3.92Å; F525-I548 HydrophobicContact CE1-CB 4.44Å; F525-I548 HydrophobicContact CE1-CG1 4.44Å; F525-I548 HydrophobicContact CE1-CG2 3.33Å; F525-I548 HydrophobicContact CZ-CG2 4.31Å; F525-I552 HydrophobicContact CB-CD1 4.38Å; F525-I552 HydrophobicContact CD1-CD1 3.55Å; F525-I552 HydrophobicContact CD1-CG1 3.93Å; F525-I552 HydrophobicContact CE1-CD1 4.18Å; F525-I552 HydrophobicContact CE1-CG1 4.31Å; F525-I552 HydrophobicContact CG-CD1 4.13Å; F525-I552 HydrophobicContact CG-CG1 4.26Å
526F90.9Very high80Confident10 Ų1076.6 Ų76.64%0.04437%0.366CS..Hα-helixtrans-59.8-48.6-179.3172.3-99.9000112.2P327 I329 D446 L447 V522 I523 M529 K530 T545P327-F526 HydrophobicContact CB-CE1 3.73Å; P327-F526 HydrophobicContact CB-CZ 3.81Å; P327-F526 HydrophobicContact CG-CE1 4.44Å; I329-F526 HydrophobicContact CD1-CD1 3.84Å; I329-F526 HydrophobicContact CD1-CE1 3.76Å; I329-F526 HydrophobicContact CG1-CD1 4.35Å; I329-F526 HydrophobicContact CG1-CE1 3.85Å; I329-F526 HydrophobicContact CG1-CZ 4.43Å; D446-F526 HydrophobicContact CB-CE2 3.9Å; D446-F526 HydrophobicContact CB-CZ 3.53Å; L447-F526 HydrophobicContact CB-CD2 4.03Å; L447-F526 HydrophobicContact CB-CE2 3.76Å; L447-F526 HydrophobicContact CB-CZ 4.08Å; L447-F526 HydrophobicContact CD2-CB 4.08Å; L447-F526 HydrophobicContact CD2-CD1 4.24Å; L447-F526 HydrophobicContact CD2-CD2 3.95Å; L447-F526 HydrophobicContact CD2-CE2 4.47Å; L447-F526 HydrophobicContact CD2-CG 3.82Å; L447-F526 HydrophobicContact CG-CD2 4.48Å; V522-F526 VanDerWaalsContact O-CB 3.24Å; V522-F526 WeakPolarHBondContact O-CB 3.48Å; V522-F526 PolarHBondContact O-N 2.74Å; I523-F526 PolarHBondContact O-N 2.87Å; F526-M529 PolarHBondContact O-N 3.25Å; F526-K530 HydrophobicContact CE1-CG 4.26Å; F526-K530 HydrophobicContact CE2-CG 4.28Å; F526-K530 HydrophobicContact CZ-CG 4.02Å; F526-K530 PolarHBondContact O-N 2.8Å; F526-K530 VanDerWaalsContact O-N 3.13Å; F526-T545 HydrophobicContact CE2-CG2 4.33Å
527L90.3Very high77.1Confident2 Ų280.2 Ų80.21%0.0139%0.393CS..Hα-helixtrans-66.1-41.1-179.3-66.7173000111.7F350 L353 R421 A422 I523 M529 K530 E531F350-L527 HydrophobicContact CD1-CD1 4.34Å; L353-L527 HydrophobicContact CD1-CD1 3.83Å; R421-L527 HydrophobicContact CG-CD2 4.33Å; R421-L527 VanDerWaalsContact NH1-CD1 3.34Å; A422-L527 HydrophobicContact CB-CD2 3.79Å; I523-L527 HydrophobicContact CG2-CD1 3.61Å; I523-L527 HydrophobicContact CG2-CG 4.19Å; I523-L527 WeakPolarHBondContact O-CB 3.29Å; I523-L527 VanDerWaalsContact O-CG 3.23Å; I523-L527 WeakPolarHBondContact O-CG 3.44Å; I523-L527 PolarHBondContact O-N 3.07Å; L527-M529 VanDerWaalsContact C-N 3.28Å; L527-M529 PolarHBondContact O-N 3.07Å; L527-K530 PolarHBondContact O-N 2.85Å; L527-K530 VanDerWaalsContact O-N 3.17Å; L527-E531 WeakPolarHBondContact O-CB 3.19Å; L527-E531 WeakPolarHBondContact O-CG 3.43Å; L527-E531 PolarHBondContact O-N 3.22Å
528R87.3Confident74.2Confident153 Ų15379 Ų7958%0.57740%0.4SS*.Hα-helixtrans-57.5-42.4175.5178.8179.9166.9-179.8-3111.8E524 F525 E531 E532E524-R528 VanDerWaalsContact O-CB 3.3Å; E524-R528 WeakPolarHBondContact O-CB 3.48Å; E524-R528 PolarHBondContact O-N 3.35Å; F525-R528 PolarHBondContact O-N 2.89Å; R528-E531 PolarHBondContact O-N 3.14Å; R528-E532 IonicContact CZ-OE1 2.71Å; R528-E532 IonicContact NE-OE1 3.63Å; R528-E532 PolarHBondContact NE-OE1 3.37Å; R528-E532 IonicContact NH2-OE1 3.96Å; R528-E532 PolarHBondContact O-N 3.41Å; R528-E532 VanDerWaalsContact O-N 3.08Å
529M81.4Confident71.5Confident62 Ų6286.2 Ų86.231%0.30544%0.44SS..Hα-helixtrans-68.9-32.8178.9-68.3-76.790.400113F525 F526 L527 E531 E532 I548F525-M529 HydrophobicContact CD1-CG 4.01Å; F525-M529 HydrophobicContact CE1-CG 3.55Å; F525-M529 HydrophobicContact CE1-SD 4.2Å; F525-M529 HydrophobicContact CZ-CG 4.07Å; F525-M529 HydrophobicContact CZ-SD 4.19Å; F525-M529 WeakPolarHBondContact O-CG 3.38Å; F525-M529 PolarHBondContact O-N 2.9Å; F525-M529 VanDerWaalsContact O-N 3.11Å; F526-M529 PolarHBondContact O-N 3.25Å; L527-M529 VanDerWaalsContact C-N 3.28Å; L527-M529 PolarHBondContact O-N 3.07Å; M529-E531 VanDerWaalsContact C-N 3.28Å; M529-E532 VanDerWaalsContact CE-CD 3.48Å; M529-E532 HydrophobicContact CE-CG 4.3Å; M529-E532 WeakPolarHBondContact CE-OE2 3.47Å; M529-I548 HydrophobicContact CB-CD1 4.39Å; M529-I548 HydrophobicContact CG-CD1 4.17Å; M529-I548 HydrophobicContact SD-CD1 4.29Å
530K81.3Confident68.5Low91 Ų9194.1 Ų94.140%0.39648%0.482SS..Hα-helixtrans-72.5-22.7174.2-71-66-166.6173.30113.1P327 D446 F526 L527P327-K530 HydrophobicContact CG-CB 4.39Å; P327-K530 HydrophobicContact CG-CD 4.43Å; P327-K530 HydrophobicContact CG-CG 4.09Å; D446-K530 WeakPolarHBondContact OD1-CE 3.4Å; D446-K530 IonicContact OD1-NZ 2.7Å; D446-K530 PolarHBondContact OD1-NZ 3.02Å; F526-K530 HydrophobicContact CE1-CG 4.26Å; F526-K530 HydrophobicContact CE2-CG 4.28Å; F526-K530 HydrophobicContact CZ-CG 4.02Å; F526-K530 PolarHBondContact O-N 2.8Å; F526-K530 VanDerWaalsContact O-N 3.13Å; L527-K530 PolarHBondContact O-N 2.85Å; L527-K530 VanDerWaalsContact O-N 3.17Å
531E80.5Confident65.5Low109 Ų109101.7 Ų101.751%0.50952%0.516SS..Hα-helixtrans-97.1-14.6-177.9-71.9175.4167.300114.7R421 L527 R528 M529R421-E531 IonicContact CZ-OE1 2.7Å; R421-E531 IonicContact CZ-OE2 3.53Å; R421-E531 IonicContact NE-OE1 2.84Å; R421-E531 PolarHBondContact NE-OE1 3.4Å; R421-E531 IonicContact NE-OE2 2.68Å; R421-E531 IonicContact NH2-OE1 2.76Å; R421-E531 PolarHBondContact NH2-OE1 3.44Å; R421-E531 IonicContact NH2-OE2 2.85Å; R421-E531 PolarHBondContact NH2-OE2 2.85Å; L527-E531 WeakPolarHBondContact O-CB 3.19Å; L527-E531 WeakPolarHBondContact O-CG 3.43Å; L527-E531 PolarHBondContact O-N 3.22Å; R528-E531 PolarHBondContact O-N 3.14Å; M529-E531 VanDerWaalsContact C-N 3.28Å
532E69.9Low62.8Low101 Ų101105.9 Ų105.947%0.47253%0.53SS..SBendtrans-61128.4178.3-86.1-171.2-175.500110.6R528 M529 K534R528-E532 IonicContact CZ-OE1 2.71Å; R528-E532 IonicContact NE-OE1 3.63Å; R528-E532 PolarHBondContact NE-OE1 3.37Å; R528-E532 IonicContact NH2-OE1 3.96Å; R528-E532 PolarHBondContact O-N 3.41Å; R528-E532 VanDerWaalsContact O-N 3.08Å; M529-E532 VanDerWaalsContact CE-CD 3.48Å; M529-E532 HydrophobicContact CE-CG 4.3Å; M529-E532 WeakPolarHBondContact CE-OE2 3.47Å; E532-K534 PolarHBondContact O-N 3.38Å
533P46.7Very low60.4Low104 Ų104111 Ų11168%0.67556%0.561SS**  trans-65.9128.9-173.324-31.9000110.6N535P533-N535 PolarHBondContact O-N 3.18Å
534K42.7Very low58.2Low201 Ų201114.8 Ų114.887%0.87458%0.581SS**  trans-58.3100.6165.9-64.1-178.4-179.9-177.70107.8E532 E536E532-K534 PolarHBondContact O-N 3.38Å; K534-E536 PolarHBondContact O-N 3.05Å; K534-E536 VanDerWaalsContact O-N 3.16Å
535N38.6Very low56.1Low134 Ų134110.5 Ų110.572%0.71756%0.564SS**  trans-59.1120.7170.6-79.7-29.9000107.8P533 T537P533-N535 PolarHBondContact O-N 3.18Å; N535-T537 PolarHBondContact O-N 3.02Å
536E40.1Very low54.3Low198 Ų198112.3 Ų112.393%0.92557%0.573SS**SBendtrans-66.921.7-174.4-66.1-174.415500115K534K534-E536 PolarHBondContact O-N 3.05Å; K534-E536 VanDerWaalsContact O-N 3.16Å
537T36.3Very low52.5Low129 Ų129119 Ų11979%0.79160%0.604SS**SBendtrans-142.867.7-178.654.50000112.2N535N535-T537 PolarHBondContact O-N 3.02Å
538S33.4Very low50.9Low102 Ų102120.1 Ų120.171%0.71361%0.61SS**SBendtrans-178.1130.8149.448.10000108N540S538-N540 PolarHBondContact O-N 3.25Å
539D34.5Very low49.8Very low157 Ų157113.2 Ų113.284%0.8459%0.585SS**  trans-42121.1-178-62.8-52.6000113.1E541D539-E541 PolarHBondContact O-N 3.46Å
540N33.6Very low48.8Very low166 Ų166113.9 Ų113.989%0.88859%0.594SS**  trans17.738.7157.1-75.1-17.3000121S538 I542S538-N540 PolarHBondContact O-N 3.25Å; N540-I542 PolarHBondContact O-N 2.53Å
541E30.3Very low47.8Very low180 Ų180113.2 Ų113.284%0.84160%0.597SS**  trans-7989.9164.7-76.7-174.7173.300108.4D539 V543D539-E541 PolarHBondContact O-N 3.46Å; E541-V543 PolarHBondContact O-N 3.35Å; E541-V543 VanDerWaalsContact O-N 3.12Å
542I35.9Very low47Very low134 Ų134108.5 Ų108.569%0.68758%0.575SS**  trans-53.9116.1162.3-62168.8000106N540 N544N540-I542 PolarHBondContact O-N 2.53Å; I542-N544 VanDerWaalsContact C-N 3.3Å; I542-N544 PolarHBondContact O-N 2.92Å
543V40.7Very low46.7Very low108 Ų108104.9 Ų104.966%0.65556%0.561SS**  trans-61.9100.4166.9179.90000106.3E541 T545 I548E541-V543 PolarHBondContact O-N 3.35Å; E541-V543 VanDerWaalsContact O-N 3.12Å; V543-T545 PolarHBondContact O-N 3.36Å; V543-I548 HydrophobicContact CG1-CD1 3.93Å
544N47.7Very low47.5Very low79 Ų79106.9 Ų106.942%0.42256%0.559SS.*  trans-67.4125-175.8-84.9-21.7000109.2I542 E546 E547I542-N544 VanDerWaalsContact C-N 3.3Å; I542-N544 PolarHBondContact O-N 2.92Å; N544-E546 HydrophobicContact CB-CB 4.38Å; N544-E546 PolarHBondContact O-N 3.2Å; N544-E547 PolarHBondContact O-N 3.38Å; N544-E547 VanDerWaalsContact O-N 3.1Å
545T46.9Very low48.2Very low31 Ų31102 Ų10219%0.1954%0.542CS..Hα-helixtrans-53-24.1174.3-22.40000112.5F526 V543 E547 I548 I549F526-T545 HydrophobicContact CE2-CG2 4.33Å; V543-T545 PolarHBondContact O-N 3.36Å; T545-E547 VanDerWaalsContact C-N 3.34Å; T545-E547 PolarHBondContact O-N 2.94Å; T545-I548 PolarHBondContact O-N 3.23Å; T545-I549 HydrophobicContact CG2-CD1 4.4Å; T545-I549 PolarHBondContact O-N 3.18Å
546E50.7Low49.3Very low107 Ų10796.3 Ų96.350%0.551%0.512SS..Hα-helixtrans-61.5-31.7178.7-56.3-178.717500113.7N544 P550N544-E546 HydrophobicContact CB-CB 4.38Å; N544-E546 PolarHBondContact O-N 3.2Å; E546-P550 VanDerWaalsContact O-CD 3.26Å; E546-P550 WeakPolarHBondContact O-CD 3.38Å
547E53.8Low50.2Low151 Ų15191.9 Ų91.971%0.70649%0.489SS*.Hα-helixtrans-81.5-22.2178.3-66.1-169.8170.900112.9N544 T545N544-E547 PolarHBondContact O-N 3.38Å; N544-E547 VanDerWaalsContact O-N 3.1Å; T545-E547 VanDerWaalsContact C-N 3.34Å; T545-E547 PolarHBondContact O-N 2.94Å
548I56.4Low50.9Low25 Ų2591 Ų9113%0.12848%0.48CS..Hα-helixtrans-83.8-43.5-170-75.6168.5000112.1F525 M529 V543 T545 P550 V551 I552F525-I548 HydrophobicContact CD1-CG2 3.92Å; F525-I548 HydrophobicContact CE1-CB 4.44Å; F525-I548 HydrophobicContact CE1-CG1 4.44Å; F525-I548 HydrophobicContact CE1-CG2 3.33Å; F525-I548 HydrophobicContact CZ-CG2 4.31Å; M529-I548 HydrophobicContact CB-CD1 4.39Å; M529-I548 HydrophobicContact CG-CD1 4.17Å; M529-I548 HydrophobicContact SD-CD1 4.29Å; V543-I548 HydrophobicContact CG1-CD1 3.93Å; T545-I548 PolarHBondContact O-N 3.23Å; I548-P550 VanDerWaalsContact C-CD 3.5Å; I548-V551 WeakPolarHBondContact O-CA 3.47Å; I548-V551 VanDerWaalsContact O-CB 3.31Å; I548-V551 WeakPolarHBondContact O-CB 3.45Å; I548-V551 PolarHBondContact O-N 2.78Å; I548-I552 HydrophobicContact CG2-CD1 3.82Å; I548-I552 HydrophobicContact CG2-CG1 4.26Å; I548-I552 PolarHBondContact O-N 2.85Å; I548-I552 VanDerWaalsContact O-N 3.15Å
549I64.4Low51.4Low8 Ų892.7 Ų92.74%0.04148%0.476CS..Hα-helixtrans-59.7-38-174.8-78.8168.8000113.3L447 G501 K502 L503 V504 T545 V551 I552 S553L447-I549 HydrophobicContact CD1-CD1 3.99Å; L447-I549 HydrophobicContact CD1-CG1 4.35Å; G501-I549 WeakPolarHBondContact O-CD1 3.22Å; K502-I549 VanDerWaalsContact CA-CD1 3.44Å; K502-I549 WeakPolarHBondContact O-CD1 3.35Å; L503-I549 WeakPolarHBondContact O-CG2 3.42Å; V504-I549 HydrophobicContact CG2-CB 4.31Å; V504-I549 HydrophobicContact CG2-CD1 4.47Å; V504-I549 HydrophobicContact CG2-CG1 3.86Å; V504-I549 HydrophobicContact CG2-CG2 3.88Å; T545-I549 HydrophobicContact CG2-CD1 4.4Å; T545-I549 PolarHBondContact O-N 3.18Å; I549-V551 VanDerWaalsContact C-N 3.28Å; I549-V551 PolarHBondContact O-N 3.27Å; I549-I552 PolarHBondContact O-N 2.88Å; I549-S553 VanDerWaalsContact O-CB 3.31Å; I549-S553 WeakPolarHBondContact O-CB 3.31Å; I549-S553 PolarHBondContact O-N 3.2Å; I549-S553 PolarHBondContact O-OG 2.88Å
550P60.6Low51.5Low76 Ų7689.5 Ų89.549%0.49446%0.459SS..Hα-helixtrans-58.9-36.3170.3-2634.7000113.6E546 I548 K554E546-P550 VanDerWaalsContact O-CD 3.26Å; E546-P550 WeakPolarHBondContact O-CD 3.38Å; I548-P550 VanDerWaalsContact C-CD 3.5Å; P550-K554 WeakPolarHBondContact O-CB 3.36Å; P550-K554 PolarHBondContact O-N 2.89Å
551V60.2Low51.4Low77 Ų7792.7 Ų92.747%0.46746%0.459SS..Hα-helixtrans-68.4-49179.6-178.90000110.6I548 I549 S553 K554 L555I548-V551 WeakPolarHBondContact O-CA 3.47Å; I548-V551 VanDerWaalsContact O-CB 3.31Å; I548-V551 WeakPolarHBondContact O-CB 3.45Å; I548-V551 PolarHBondContact O-N 2.78Å; I549-V551 VanDerWaalsContact C-N 3.28Å; I549-V551 PolarHBondContact O-N 3.27Å; V551-S553 PolarHBondContact O-N 2.87Å; V551-K554 WeakPolarHBondContact O-CB 3.41Å; V551-K554 PolarHBondContact O-N 3.27Å; V551-K554 VanDerWaalsContact O-N 3.17Å; V551-L555 HydrophobicContact CG1-CD1 4.3Å; V551-L555 WeakPolarHBondContact O-CG 3.29Å; V551-L555 PolarHBondContact O-N 2.78Å
552I63.2Low51.3Low11 Ų1193.2 Ų93.26%0.05646%0.458CS..Hα-helixtrans-59.2-49.1177-63.8176.7000110.3V504 V522 F525 I548 I549 K554 L555 L556V504-I552 HydrophobicContact CG1-CG2 4.19Å; V504-I552 HydrophobicContact CG2-CG2 4.46Å; V522-I552 HydrophobicContact CB-CG2 4.41Å; V522-I552 HydrophobicContact CG1-CG2 4.43Å; V522-I552 HydrophobicContact CG2-CG2 3.67Å; F525-I552 HydrophobicContact CB-CD1 4.38Å; F525-I552 HydrophobicContact CD1-CD1 3.55Å; F525-I552 HydrophobicContact CD1-CG1 3.93Å; F525-I552 HydrophobicContact CE1-CD1 4.18Å; F525-I552 HydrophobicContact CE1-CG1 4.31Å; F525-I552 HydrophobicContact CG-CD1 4.13Å; F525-I552 HydrophobicContact CG-CG1 4.26Å; I548-I552 HydrophobicContact CG2-CD1 3.82Å; I548-I552 HydrophobicContact CG2-CG1 4.26Å; I548-I552 PolarHBondContact O-N 2.85Å; I548-I552 VanDerWaalsContact O-N 3.15Å; I549-I552 PolarHBondContact O-N 2.88Å; I552-K554 PolarHBondContact O-N 2.9Å; I552-L555 PolarHBondContact O-N 2.87Å; I552-L556 HydrophobicContact CG2-CD1 4.02Å; I552-L556 HydrophobicContact CG2-CG 4.37Å; I552-L556 WeakPolarHBondContact O-CG 3.32Å; I552-L556 PolarHBondContact O-N 2.96Å
553S65Low50.7Low25 Ų2595 Ų9518%0.17547%0.469CS..Hα-helixtrans-57.3-34.6178.3-62.80000112.2I549 V551 K557I549-S553 VanDerWaalsContact O-CB 3.31Å; I549-S553 WeakPolarHBondContact O-CB 3.31Å; I549-S553 PolarHBondContact O-N 3.2Å; I549-S553 PolarHBondContact O-OG 2.88Å; V551-S553 PolarHBondContact O-N 2.87Å; S553-K557 WeakPolarHBondContact O-CD 3.48Å; S553-K557 WeakPolarHBondContact O-CG 3.23Å; S553-K557 PolarHBondContact O-N 2.97Å
554K62.5Low49.8Very low146 Ų14698 Ų9864%0.63548%0.48SS*.Hα-helixtrans-76.1-35176.9-166.9174.1-174.7173.10113P550 V551 I552 N558P550-K554 WeakPolarHBondContact O-CB 3.36Å; P550-K554 PolarHBondContact O-N 2.89Å; V551-K554 WeakPolarHBondContact O-CB 3.41Å; V551-K554 PolarHBondContact O-N 3.27Å; V551-K554 VanDerWaalsContact O-N 3.17Å; I552-K554 PolarHBondContact O-N 2.9Å; K554-N558 PolarHBondContact O-N 3.23Å; K554-N558 PolarHBondContact O-ND2 3.36Å
555L56.7Low48.6Very low98 Ų98101.1 Ų101.151%0.51350%0.502SS..Hα-helixtrans-66.5-48.1176.3-72.7173.2000111.2V551 I552 K557 N558 E559V551-L555 HydrophobicContact CG1-CD1 4.3Å; V551-L555 WeakPolarHBondContact O-CG 3.29Å; V551-L555 PolarHBondContact O-N 2.78Å; I552-L555 PolarHBondContact O-N 2.87Å; L555-K557 PolarHBondContact O-N 2.75Å; L555-N558 PolarHBondContact O-N 2.9Å; L555-N558 VanDerWaalsContact O-N 3.08Å; L555-E559 PolarHBondContact O-N 3.18Å
556L61.7Low47.5Very low15 Ų15103.2 Ų103.28%0.07953%0.53CS..Hα-helixtrans-56.9-38.6177.4-66.3173.2000112.2V504 I506 H518 V522 I552 N558V504-L556 HydrophobicContact CG1-CD1 3.97Å; I506-L556 HydrophobicContact CG1-CD1 4.2Å; H518-L556 HydrophobicContact CB-CD2 3.68Å; H518-L556 WeakPolarHBondContact ND1-CD2 3.1Å; V522-L556 HydrophobicContact CG2-CD1 3.83Å; V522-L556 HydrophobicContact CG2-CD2 4.5Å; I552-L556 HydrophobicContact CG2-CD1 4.02Å; I552-L556 HydrophobicContact CG2-CG 4.37Å; I552-L556 WeakPolarHBondContact O-CG 3.32Å; I552-L556 PolarHBondContact O-N 2.96Å; L556-N558 PolarHBondContact O-N 3.12Å
557K60.4Low46.1Very low104 Ų104103.6 Ų103.645%0.45254%0.539SS..Hα-helixtrans-69.9-28.4178.7-71.8171.9-174.5179.40113.9S553 L555S553-K557 WeakPolarHBondContact O-CD 3.48Å; S553-K557 WeakPolarHBondContact O-CG 3.23Å; S553-K557 PolarHBondContact O-N 2.97Å; L555-K557 PolarHBondContact O-N 2.75Å
558N50.8Low44.5Very low111 Ų111103.2 Ų103.259%0.59455%0.547SS*.Hα-helixtrans-83.9-24.7-174.8-81-22.5000114K554 L555 L556 N560K554-N558 PolarHBondContact O-N 3.23Å; K554-N558 PolarHBondContact O-ND2 3.36Å; L555-N558 PolarHBondContact O-N 2.9Å; L555-N558 VanDerWaalsContact O-N 3.08Å; L556-N558 PolarHBondContact O-N 3.12Å; N558-N560 VanDerWaalsContact C-N 3.28Å; N558-N560 PolarHBondContact O-N 3.28Å
559E42.7Very low42.9Very low137 Ų137107.8 Ų107.864%0.6457%0.571SS**G310 helixtrans-72.8-16.9-176.3-68.7-168.1154.900114L555 R561L555-E559 PolarHBondContact O-N 3.18Å; E559-R561 PolarHBondContact O-N 3.44Å
560N37.8Very low40.9Very low90 Ų90115 Ų11548%0.48161%0.609SS.*G310 helixtrans-67.514.6-178.6-77.5-21.2000116N558N558-N560 VanDerWaalsContact C-N 3.28Å; N558-N560 PolarHBondContact O-N 3.28Å
561R30.8Very low39.3Very low233 Ų233118.2 Ų118.288%0.87962%0.622SS**G310 helixtrans-104-1.1-178.2-80.3-171.5177.5178.20.9116.9E559E559-R561 PolarHBondContact O-N 3.44Å
562K27.9Very low37.6Very low192 Ų192121.7 Ų121.784%0.83564%0.638SS**SBendtrans-140.913.6-173-79.1-165.4178.5-179.40120.4
563L25.1Very low35.8Very low172 Ų172130.3 Ų130.390%0.90168%0.679SS**  trans-129.869.5174.1-75.1165.7000112
564L21.8Very low33.9Very low170 Ų170134.2 Ų134.289%0.8971%0.706SS**  trans-109.3101.8156-81.7158.1000105.8
565T22.2Very low32.1Very low144 Ų144134.5 Ų134.588%0.88371%0.713SS**SBendtrans166.4109.4145.333.30000110.6
566G22.3Very low30.4Very low75 Ų75138.6 Ų138.677%0.77373%0.73SS**  trans7199.8144.600000117.5
567V22.1Very low28.5Very low116 Ų116143.3 Ų143.370%0.70376%0.759SS**  -163.7114.7119.8164.20000106.8I569V567-I569 HydrophobicContact CG1-CD1 3.69Å; V567-I569 HydrophobicContact CG1-CG1 3.58Å
568T19.3Very low26.7Very low142 Ų142143.2 Ų143.287%0.87177%0.772SS**  trans-75.8115.2161.946.70000107.8
569I23.9Very low25.2Very low122 Ų122147.6 Ų147.663%0.62679%0.786SS**  trans-114.1113.2162.3-73.1157.3000106.3V567 D571V567-I569 HydrophobicContact CG1-CD1 3.69Å; V567-I569 HydrophobicContact CG1-CG1 3.58Å; I569-D571 WeakPolarHBondContact CG2-OD1 3.42Å; I569-D571 PolarHBondContact O-N 3.36Å
570D21.6Very low24.2Very low159 Ų159149.5 Ų149.585%0.8580%0.795SS**  trans-67.2105.1161-75.7-35.2000107.4
571D27.6Very low23.5Very low143 Ų143152 Ų15277%0.76581%0.809SS**  trans-105.466.9166-82.9-26000109.3I569 Q573I569-D571 WeakPolarHBondContact CG2-OD1 3.42Å; I569-D571 PolarHBondContact O-N 3.36Å; D571-Q573 VanDerWaalsContact C-N 3.34Å; D571-Q573 PolarHBondContact O-N 3.23Å
572D25.2Very low23.1Very low150 Ų150145.9 Ų145.980%0.80280%0.801SS**  trans-7390.9148.4-107.6-13.3000106.9
573Q24.6Very low22.7Very low193 Ų193142.7 Ų142.790%0.90280%0.798SS**  trans16281.9151.8-89.4157.875.200111.9D571D571-Q573 VanDerWaalsContact C-N 3.34Å; D571-Q573 PolarHBondContact O-N 3.23Å
574S25.5Very low22.5Very low107 Ų107140.1 Ų140.175%0.74879%0.789SS**SBendtrans-146112.5154.152.50000111.3
575L23.5Very low22.5Very low152 Ų152141 Ų14180%0.79679%0.786SS**  trans78.665.1159.5-60.5161.8000117.5
576E22Very low22.5Very low184 Ų184140.6 Ų140.686%0.8678%0.778SS**  trans-82.5109.7139.5-75.7-172.9161.700108.6
577T22.1Very low22.7Very low113 Ų113143.9 Ų143.969%0.69378%0.778SS**  trans-99.781.5154.955.90000107.5F579T577-F579 PolarHBondContact O-N 2.91Å
578S22.2Very low22.7Very low103 Ų103145.3 Ų145.372%0.7278%0.782SS**  trans-66.3107.7160.640.80000107.9E580S578-E580 PolarHBondContact O-N 3.26Å; S578-E580 VanDerWaalsContact O-N 3.09Å
579F20.2Very low23.1Very low203 Ų203144.3 Ų144.389%0.8978%0.78SS**  trans-65.894.5163.2-103.6-105.7000107.6T577T577-F579 PolarHBondContact O-N 2.91Å
580E20.7Very low22.9Very low176 Ų176143.4 Ų143.482%0.82279%0.785SS**  trans-161.9125147.2-111.1173.9-155.900111.8S578S578-E580 PolarHBondContact O-N 3.26Å; S578-E580 VanDerWaalsContact O-N 3.09Å
581D22.3Very low23.1Very low144 Ų144142 Ų14277%0.7779%0.785SS**  trans70.1111.5158.4-70.9-13.8000122.4
582S22.6Very low22.7Very low104 Ų104139.6 Ų139.673%0.72778%0.779SS**  106.899.1118.965.40000119.6
583V20.5Very low22.6Very low125 Ų125138.4 Ų138.476%0.75878%0.782SS**  47.9108.6112.8-178.70000117.6
584T20.4Very low22.5Very low117 Ų117136.4 Ų136.472%0.71877%0.773SS**  trans74.9116145.267.50000119.5
585K22.9Very low22.2Very low190 Ų190139.6 Ų139.683%0.82678%0.781SS**  167.8129.594.7-91.1-170.3178.1172.80111.7
586D21.5Very low21.9Very low135 Ų135138.2 Ų138.272%0.72277%0.773SS**  trans2.5126.5142.4-49-36.5000118.6
587N25.2Very low21.8Very low143 Ų143137.3 Ų137.377%0.76577%0.772SS**  169130.8101.2-90.7-31.1000112.1
588D22.1Very low21.7Very low147 Ų147137.2 Ų137.279%0.78677%0.772SS**  trans38.6114.7139.3-65.2-21.5000120.4
589S27.7Very low21.6Very low120 Ų120138.2 Ų138.284%0.83978%0.776SS**  -176.5127.8101.637.70000111.6
590S21.1Very low21.7Very low103 Ų103138 Ų13872%0.7278%0.777SS**  trans-65.1160.4166.1-43.60000111.1
591P24.8Very low21.6Very low131 Ų131132.8 Ų132.885%0.85177%0.771SS**  -134.6134.19731-17.1000113
592S20.2Very low21.6Very low91 Ų91133.5 Ų133.564%0.63678%0.775SS**  trans-73.8134.3172.9-48.80000111.4
593S23.1Very low21.5Very low126 Ų126137.6 Ų137.688%0.88178%0.783SS**  trans-118.787.8151.841.80000107.4
594Q21.6Very low21.8Very low151 Ų151138.9 Ų138.971%0.70679%0.785SS**  trans-73.8122.2173.7-72.4170.6-12.300109.6
595L19Very low22Very low174 Ų174138.7 Ų138.791%0.91179%0.789SS**  trans-116.3102.3155.5-92.1163000106.8
596I18.4Very low21.8Very low122 Ų122137 Ų13763%0.62679%0.788SS**  trans-92.2118.9174.5-64.6169.1000107T598I596-T598 HydrophobicContact CG2-CG2 4.28Å
597I19.1Very low22Very low165 Ų165137.5 Ų137.585%0.84679%0.791SS**  trans-131.6105.1152.2-59.4180000106.1
598T19.5Very low22Very low112 Ų112140.1 Ų140.169%0.68780%0.798SS**PPolyproline II helixtrans-82.9147.1172.239.50000110.8I596I596-T598 HydrophobicContact CG2-CG2 4.28Å
599P21.7Very low22Very low124 Ų124141.1 Ų141.181%0.80580%0.802SS**PPolyproline II helixtrans-89.2132-171.334.3-30.5000111.7
600E20.4Very low21.7Very low197 Ų197144.2 Ų144.292%0.92180%0.803SS**PPolyproline II helixtrans-89.9125.6163.7-71.9-172.9164.700108.8
601G19.7Very low21.9Very low68 Ų68144.6 Ų144.670%0.70181%0.806SS**PPolyproline II helixtrans-72.4156.4-17600000113.3
602N23.1Very low21.9Very low158 Ų158148.7 Ų148.785%0.84581%0.81SS**  trans-133.5105.6144-95.8-28.3000107.9N604N602-N604 PolarHBondContact O-N 3.16Å
603Q20.6Very low22Very low190 Ų190152.2 Ų152.289%0.88882%0.821SS**  trans-65.1114.4157.6-69.1176.6-26.100106.7
604N25.4Very low21.9Very low152 Ų152153.1 Ų153.181%0.81382%0.816SS**  trans-131.1108.3151.7-86.1-31.2000107.1N602N602-N604 PolarHBondContact O-N 3.16Å
605S24.1Very low22Very low113 Ų113152.6 Ų152.679%0.7982%0.818SS**  trans-49.4140.5173.935.90000113D607S605-D607 PolarHBondContact O-N 3.02Å
606L20.6Very low22.5Very low156 Ų156153.1 Ų153.182%0.81782%0.821SS**  trans-31.8126.1145.8-101.175.2000110.4
607D24.1Very low22.6Very low145 Ų145156.8 Ų156.878%0.77584%0.835SS**  trans168.182.7138.6-83.1-15.4000108.3S605S605-D607 PolarHBondContact O-N 3.02Å
608Q25.8Very low22.8Very low197 Ų197152.4 Ų152.492%0.92183%0.831SS**  trans-171.960.9154.4-105.4160.279.800109.9
609I22Very low23.1Very low168 Ų168152.2 Ų152.286%0.86283%0.834SS**  trans-110.894.9151.1-61.8174000104.6
610E22Very low23.5Very low186 Ų186152.5 Ų152.587%0.86984%0.836SS**  trans-170.8142149.6-109.7172.3-166.100109.6
611S24.3Very low24Very low110 Ų110151.4 Ų151.477%0.76983%0.831SS**  trans84.378.8179.477.70000117.1
612K25.6Very low24.5Very low218 Ų218157.8 Ų157.895%0.94884%0.839SS**  trans-16150.8137.7-103.8169.9-167-172.70110.5
613L22Very low25.2Very low165 Ų165154.6 Ų154.686%0.86483%0.826SS**  trans-103.9101155.6-99.2140.6000104.6
614D22Very low26.6Very low144 Ų144149.9 Ų149.977%0.7781%0.809SS**  trans178.5133148-89.9-18.6000110.2
615N23.8Very low27.9Very low141 Ų141145.1 Ų145.175%0.75478%0.784SS**  trans88.284.8164.4-48.3-45.1000117.6
616L28.1Very low29.4Very low184 Ų184145.1 Ų145.196%0.96378%0.775SS**  trans-136.391.2137.8-120.595.1000109
617E20.6Very low31.9Very low200 Ų200142 Ų14294%0.93576%0.76SS**  trans-77.6120.9161.3-72.1-178.7150.600108.4
618G24.7Very low34.5Very low73 Ų73135.5 Ų135.575%0.75373%0.725SS**  trans-147.8131.8176.500000110.9
619S24Very low36.9Very low108 Ų108129.4 Ų129.476%0.75570%0.698SS**  trans-56.1163.1-172.252.10000116.9E621S619-E621 PolarHBondContact O-N 2.59Å
620P31.2Very low39.8Very low130 Ų130128.6 Ų128.684%0.84469%0.688SS**  trans-79.7109.9-149.932.6-32.4000113
621E31Very low42.9Very low174 Ų174121.6 Ų121.681%0.81365%0.654SS**  trans-70.3141.5164.1-69.6-179157.100109.6S619 T623S619-E621 PolarHBondContact O-N 2.59Å; E621-T623 PolarHBondContact O-N 3.25Å
622K29.5Very low46Very low202 Ų202121 Ų12188%0.87864%0.638SS**  trans-54.5105.7175.7-68.9176.3177179.60108.7
623T38.6Very low49.3Very low91 Ų91110.6 Ų110.656%0.55859%0.593SS**  trans-69.7140.7-173.447.40000111E621 N625 D626E621-T623 PolarHBondContact O-N 3.25Å; T623-N625 PolarHBondContact O-N 3.24Å; T623-D626 PolarHBondContact O-N 3.47Å
624V50.3Low52.7Low90 Ų90102.8 Ų102.855%0.54555%0.552SS.*THydrogen-bonded Turntrans-40.1-22.5173.2176.30000114.6D626 T687V624-D626 VanDerWaalsContact C-N 3.32Å; V624-D626 PolarHBondContact O-N 3.21Å; V624-T687 HydrophobicContact CG1-CG2 3.93Å
625N51.6Low56.2Low53 Ų5395.9 Ų95.928%0.28352%0.515SS..Hα-helixtrans-57.7-30.3178.2-83.1-24.6000115.9T623 D627 Y716 N717T623-N625 PolarHBondContact O-N 3.24Å; N625-D627 PolarHBondContact O-N 2.62Å; N625-Y716 PolarHBondContact OD1-OH 2.79Å; N625-N717 PolarHBondContact O-ND2 3.1Å; N625-N717 VanDerWaalsContact O-ND2 3.12Å; N625-N717 PolarHBondContact OD1-ND2 2.83Å
626D56.6Low59.6Low113 Ų11389.2 Ų89.260%0.60448%0.479SS*.Hα-helixtrans-71-27.1-174.5-78.3-5.5000113.6T623 V624T623-D626 PolarHBondContact O-N 3.47Å; V624-D626 VanDerWaalsContact C-N 3.32Å; V624-D626 PolarHBondContact O-N 3.21Å
627D72.1Confident62.7Low91 Ų9180.6 Ų80.649%0.48743%0.434SS..Hα-helixtrans-85.9-23.6-178.8-83-36.8000113.1N625 D629 K630 Y631N625-D627 PolarHBondContact O-N 2.62Å; D627-D629 PolarHBondContact O-N 3.47Å; D627-K630 PolarHBondContact O-N 3.15Å; D627-K630 IonicContact OD1-NZ 3.61Å; D627-K630 PolarHBondContact OD1-NZ 2.99Å; D627-Y631 WeakPolarHBondContact O-CD2 3.33Å
628L78.7Confident65.9Low8 Ų871.4 Ų71.44%0.04239%0.393CS..Hα-helixtrans-60.4-28177.6-164.456.6000111.8K630 Y631 F633 I683 I686 M690 Y716 N717 L720L628-K630 PolarHBondContact O-N 3.09Å; L628-K630 VanDerWaalsContact O-N 3.13Å; L628-Y631 PolarHBondContact O-N 2.97Å; L628-F633 HydrophobicContact CD1-CE2 4.11Å; L628-F633 HydrophobicContact CD1-CZ 3.58Å; L628-F633 HydrophobicContact CG-CE2 4.49Å; L628-F633 HydrophobicContact CG-CZ 4.37Å; L628-I683 HydrophobicContact CD2-CD1 4.19Å; L628-I686 HydrophobicContact CD1-CG2 3.73Å; L628-M690 HydrophobicContact CD1-CE 3.31Å; L628-Y716 HydrophobicContact CD2-CE1 4.33Å; L628-N717 HydrophobicContact CD2-CB 3.83Å; L628-L720 HydrophobicContact CD2-CB 4.35Å
629D77.1Confident68.8Low69 Ų6968.2 Ų68.237%0.36936%0.359SS..THydrogen-bonded Turntrans-68.5-12.2-176.1-78.7-33.9000115.9D627 N717 S719D627-D629 PolarHBondContact O-N 3.47Å; D629-N717 PolarHBondContact OD1-OD1 3.4Å; D629-S719 WeakPolarHBondContact CA-OG 3.49Å; D629-S719 PolarHBondContact O-OG 3.17Å; D629-S719 WeakPolarHBondContact OD1-CB 3.41Å; D629-S719 PolarHBondContact OD1-N 3.35Å; D629-S719 PolarHBondContact OD1-OG 3.13Å
630K81.6Confident71.4Confident150 Ų15063.6 Ų63.665%0.65233%0.327SS*.THydrogen-bonded Turntrans-82.7-16.8179-66169.4-174.4158.40113D627 L628D627-K630 PolarHBondContact O-N 3.15Å; D627-K630 IonicContact OD1-NZ 3.61Å; D627-K630 PolarHBondContact OD1-NZ 2.99Å; L628-K630 PolarHBondContact O-N 3.09Å; L628-K630 VanDerWaalsContact O-N 3.13Å
631Y87.3Confident73.4Confident40 Ų4059 Ų5916%0.15730%0.295CS..  trans-100.9152.7-169.7-66.3-94.7000112.2D627 L628 M690 K695 Y698D627-Y631 WeakPolarHBondContact O-CD2 3.33Å; L628-Y631 PolarHBondContact O-N 2.97Å; Y631-M690 HydrophobicContact CD1-CE 4.41Å; Y631-M690 HydrophobicContact CD2-CE 3.17Å; Y631-M690 HydrophobicContact CD2-SD 4.17Å; Y631-M690 HydrophobicContact CE1-CG 4.44Å; Y631-M690 HydrophobicContact CE2-CE 3.34Å; Y631-M690 HydrophobicContact CE2-CG 3.88Å; Y631-M690 HydrophobicContact CE2-SD 3.73Å; Y631-M690 HydrophobicContact CG-CE 3.75Å; Y631-K695 WeakPolarHBondContact CE1-O 3.45Å; Y631-Y698 HydrophobicContact CD1-CD2 4.19Å; Y631-Y698 AromaticContact CD1-CE2 3.52Å; Y631-Y698 HydrophobicContact CD1-CE2 3.52Å; Y631-Y698 HydrophobicContact CE1-CE2 4.03Å; Y631-Y698 HydrophobicContact CG-CD2 4.38Å; Y631-Y698 AromaticContact CG-CE2 3.84Å; Y631-Y698 HydrophobicContact CG-CE2 3.84Å
632K90.2Very high75.3Confident97 Ų9756.5 Ų56.542%0.42228%0.283SS..EExtended strand (participates in β ladder)trans-108.3134.3175.1-66.4-55.2179.3-161.60110.8Y657 A696 G697 Y698 K726K632-Y657 HydrophobicContact CB-CE2 4.2Å; K632-Y657 VanDerWaalsContact CB-OH 3.29Å; K632-Y657 WeakPolarHBondContact CB-OH 3.31Å; K632-Y657 WeakPolarHBondContact O-CE2 3.16Å; K632-A696 PolarHBondContact N-O 3.39Å; K632-G697 CarbonylContact O-C 3.53Å; K632-G697 WeakPolarHBondContact O-CA 3.29Å; K632-Y698 PolarHBondContact O-N 3.22Å; K632-K726 HydrophobicContact CB-CB 4.26Å; K632-K726 HydrophobicContact CB-CD 4.4Å
633F93.7Very high77.7Confident0 Ų047.5 Ų47.50%025%0.245CC..EExtended strand (participates in β ladder)trans-108.3136.5-177.6-65.9-90.6000111.1L628 F635 I686 Y698 I700 S719 L720 C725 K726L628-F633 HydrophobicContact CD1-CE2 4.11Å; L628-F633 HydrophobicContact CD1-CZ 3.58Å; L628-F633 HydrophobicContact CG-CE2 4.49Å; L628-F633 HydrophobicContact CG-CZ 4.37Å; F633-F635 HydrophobicContact CB-CD2 4.45Å; F633-F635 HydrophobicContact CB-CE2 3.8Å; F633-F635 HydrophobicContact CB-CZ 4.3Å; F633-I686 HydrophobicContact CE1-CD1 3.92Å; F633-Y698 CarbonylContact C-O 3.46Å; F633-Y698 WeakPolarHBondContact CA-O 3.35Å; F633-Y698 HydrophobicContact CD1-CD2 4.29Å; F633-Y698 HydrophobicContact CD1-CG 4.29Å; F633-Y698 AromaticContact CE1-CD2 3.53Å; F633-Y698 HydrophobicContact CE1-CD2 3.53Å; F633-Y698 HydrophobicContact CE1-CE2 4.49Å; F633-Y698 AromaticContact CE1-CG 3.75Å; F633-Y698 HydrophobicContact CE1-CG 3.75Å; F633-Y698 AromaticContact CZ-CD2 3.75Å; F633-Y698 HydrophobicContact CZ-CD2 3.75Å; F633-Y698 HydrophobicContact CZ-CE2 4.41Å; F633-Y698 HydrophobicContact CZ-CG 4.43Å; F633-I700 HydrophobicContact CD1-CD1 4.28Å; F633-I700 HydrophobicContact CD1-CG1 4.05Å; F633-S719 VanDerWaalsContact CD2-O 3.26Å; F633-S719 WeakPolarHBondContact CD2-O 3.18Å; F633-L720 HydrophobicContact CD1-CD1 3.6Å; F633-L720 HydrophobicContact CD2-CD1 4.28Å; F633-L720 HydrophobicContact CE1-CD1 3.58Å; F633-L720 HydrophobicContact CE2-CD1 4.25Å; F633-L720 HydrophobicContact CG-CD1 3.99Å; F633-L720 HydrophobicContact CZ-CD1 3.93Å; F633-C725 HydrophobicContact CB-CB 4.22Å; F633-K726 WeakPolarHBondContact O-CB 3.37Å; F633-K726 PolarHBondContact O-N 3.07Å
634I94.6Very high80Confident0 Ų043.7 Ų43.70%022%0.22CC..EExtended strand (participates in β ladder)trans-117.6121.8168.1-63.7173.6000106.8V636 I651 Y657 Y698 I699 I700 K726 L727 I729 F786I634-V636 HydrophobicContact CG2-CG2 4.23Å; I634-I651 HydrophobicContact CD1-CG2 4.32Å; I634-Y657 HydrophobicContact CD1-CD2 4.01Å; I634-Y657 HydrophobicContact CD1-CE2 3.72Å; I634-Y657 HydrophobicContact CG1-CD2 4.33Å; I634-Y657 HydrophobicContact CG1-CE2 3.95Å; I634-Y698 PolarHBondContact N-O 2.79Å; I634-I699 HydrophobicContact CB-CG1 4.48Å; I634-I699 CarbonylContact O-C 3.31Å; I634-I699 VanDerWaalsContact O-CA 3.3Å; I634-I699 WeakPolarHBondContact O-CA 3.3Å; I634-I700 PolarHBondContact O-N 3.18Å; I634-K726 HydrophobicContact CG1-CB 4.19Å; I634-L727 CarbonylContact C-O 3.59Å; I634-L727 VanDerWaalsContact CA-O 3.29Å; I634-L727 WeakPolarHBondContact CA-O 3.31Å; I634-L727 HydrophobicContact CG1-CB 4.35Å; I634-L727 HydrophobicContact CG2-CB 4.42Å; I634-I729 HydrophobicContact CG2-CD1 4.15Å; I634-F786 HydrophobicContact CD1-CE1 3.72Å; I634-F786 HydrophobicContact CD1-CZ 3.79Å
635F95.2Very high81.4Confident0 Ų043.2 Ų43.20%021%0.209CC..EExtended strand (participates in β ladder)trans-97.6133.6174.8-66.6-90.2000109.1F633 I700 I703 I713 L720 F722 C725 L727 I728 I729F633-F635 HydrophobicContact CB-CD2 4.45Å; F633-F635 HydrophobicContact CB-CE2 3.8Å; F633-F635 HydrophobicContact CB-CZ 4.3Å; F635-I700 CarbonylContact C-O 3.58Å; F635-I700 WeakPolarHBondContact CA-O 3.48Å; F635-I700 HydrophobicContact CD1-CB 3.64Å; F635-I700 HydrophobicContact CD1-CG1 4.19Å; F635-I700 HydrophobicContact CD1-CG2 3.84Å; F635-I700 HydrophobicContact CE1-CB 3.81Å; F635-I700 HydrophobicContact CE1-CG1 3.91Å; F635-I700 HydrophobicContact CE1-CG2 3.87Å; F635-I700 HydrophobicContact CG-CB 4.42Å; F635-I700 HydrophobicContact CZ-CG1 4.4Å; F635-I703 WeakPolarHBondContact CD1-O 3.26Å; F635-I713 HydrophobicContact CZ-CG2 4.43Å; F635-L720 HydrophobicContact CZ-CD1 4.15Å; F635-F722 HydrophobicContact CB-CE1 4.46Å; F635-F722 AromaticContact CD1-CE1 3.69Å; F635-F722 HydrophobicContact CD1-CE1 3.69Å; F635-F722 HydrophobicContact CD1-CZ 4.49Å; F635-F722 AromaticContact CD2-CD1 3.84Å; F635-F722 HydrophobicContact CD2-CD1 3.84Å; F635-F722 AromaticContact CD2-CE1 3.8Å; F635-F722 HydrophobicContact CD2-CE1 3.8Å; F635-F722 AromaticContact CE1-CE1 3.73Å; F635-F722 HydrophobicContact CE1-CE1 3.73Å; F635-F722 HydrophobicContact CE1-CZ 4.26Å; F635-F722 AromaticContact CE2-CD1 3.94Å; F635-F722 HydrophobicContact CE2-CD1 3.94Å; F635-F722 AromaticContact CE2-CE1 3.85Å; F635-F722 HydrophobicContact CE2-CE1 3.85Å; F635-F722 HydrophobicContact CG-CD1 4.15Å; F635-F722 AromaticContact CG-CE1 3.71Å; F635-F722 HydrophobicContact CG-CE1 3.71Å; F635-F722 HydrophobicContact CZ-CD1 4.33Å; F635-F722 AromaticContact CZ-CE1 3.81Å; F635-F722 HydrophobicContact CZ-CE1 3.81Å; F635-F722 HydrophobicContact CZ-CZ 4.42Å; F635-C725 HydrophobicContact CD2-CB 4Å; F635-C725 HydrophobicContact CE2-CB 3.79Å; F635-L727 PolarHBondContact N-O 2.9Å; F635-I728 HydrophobicContact CB-CG1 4.43Å; F635-I728 HydrophobicContact CB-CG2 4.27Å; F635-I728 CarbonylContact O-C 3.51Å; F635-I728 WeakPolarHBondContact O-CA 3.27Å; F635-I729 PolarHBondContact O-N 3.46Å
636V94.4Very high82.9Confident0 Ų042.6 Ų42.60%021%0.205CC..EExtended strand (participates in β ladder)trans-120.3119.6174.8-1680000107.7I634 R644 I651 I699 I700 G702 I729 L731I634-V636 HydrophobicContact CG2-CG2 4.23Å; V636-R644 HydrophobicContact CB-CG 4.33Å; V636-R644 HydrophobicContact CG1-CG 3.68Å; V636-R644 WeakPolarHBondContact O-CD 3.09Å; V636-I651 HydrophobicContact CG2-CD1 3.78Å; V636-I699 HydrophobicContact CG2-CG2 3.84Å; V636-I700 PolarHBondContact N-O 3.48Å; V636-G702 PolarHBondContact O-N 3.01Å; V636-I729 WeakPolarHBondContact CA-O 3.42Å; V636-I729 HydrophobicContact CG1-CB 4.32Å; V636-I729 HydrophobicContact CG1-CG2 4.3Å; V636-I729 HydrophobicContact CG2-CB 4.42Å; V636-I729 HydrophobicContact CG2-CD1 4.48Å; V636-L731 HydrophobicContact CG1-CD1 3.95Å; V636-L731 HydrophobicContact CG1-CG 4.18Å
637I93Very high84.5Confident3 Ų337.2 Ų37.22%0.01518%0.176CC..EExtended strand (participates in β ladder)trans-135.2165.4-176.260.1170.9000110.6I703 I728 I729 L730 L731 I752 L760I637-I703 VanDerWaalsContact CG2-C 3.43Å; I637-I703 WeakPolarHBondContact CG2-O 3.24Å; I637-I728 HydrophobicContact CD1-CG2 4.24Å; I637-I728 HydrophobicContact CG1-CG2 4.45Å; I637-I729 PolarHBondContact N-O 3.19Å; I637-L730 HydrophobicContact CD1-CD1 4.15Å; I637-L730 HydrophobicContact CG1-CB 4.45Å; I637-L730 HydrophobicContact CG1-CD1 3.95Å; I637-L731 PolarHBondContact O-N 2.94Å; I637-I752 HydrophobicContact CB-CD1 4.35Å; I637-I752 HydrophobicContact CD1-CD1 4.33Å; I637-I752 HydrophobicContact CG1-CD1 4.43Å; I637-L760 HydrophobicContact CD1-CD1 3.34Å
638G89Confident85.3Confident7 Ų732.9 Ų32.97%0.07215%0.153CC..EExtended strand (participates in β ladder)trans86.6173.2-179.100000113.5R644 L731G638-R644 WeakPolarHBondContact O-CD 3.25Å; G638-R644 PolarHBondContact O-NH1 3.27Å; G638-L731 CarbonylContact C-O 3.58Å
639S86Confident85.5Confident6 Ų637.7 Ų37.74%0.04217%0.174CC..SBendtrans53.6-178.9-174.8-164.20000114.1I643 R644 L731 D733S639-I643 WeakPolarHBondContact OG-CB 3.25Å; S639-I643 WeakPolarHBondContact OG-CD1 3.21Å; S639-I643 WeakPolarHBondContact OG-CG2 3.4Å; S639-R644 PolarHBondContact O-NH1 3.23Å; S639-L731 PolarHBondContact N-O 2.84Å; S639-D733 VanDerWaalsContact CB-OD1 3.3Å; S639-D733 WeakPolarHBondContact CB-OD1 3.4Å; S639-D733 PolarHBondContact OG-OD1 3.43Å
640C77.5Confident85.8Confident12 Ų1235 Ų358%0.08116%0.159CC..  trans-81.9158.3172.755.90000112.3E642 I643 R644 C747C640-E642 PolarHBondContact O-N 3.27Å; C640-E642 VanDerWaalsContact O-N 3.17Å; C640-I643 PolarHBondContact O-N 2.68Å; C640-I643 VanDerWaalsContact O-N 3.13Å; C640-R644 PolarHBondContact O-N 3.44Å; C640-C747 HydrophobicContact CB-CB 3.97Å; C640-C747 WeakPolarHBondContact CB-SG 3.38Å; C640-C747 WeakPolarHBondContact SG-CB 3.45Å; C640-C747 CovalentContact SG-SG 2.08Å; C640-C747 PolarHBondContact SG-SG 2.91Å
641D72.9Confident86.1Confident33 Ų3327.9 Ų27.918%0.17613%0.128CC..Hα-helixtrans-59.9-31.4-169-60.8-17.1000114.2R644 R645 K663D641-R644 IonicContact OD1-CZ 3.72Å; D641-R644 IonicContact OD1-NH1 3.68Å; D641-R644 PolarHBondContact OD1-NH1 3.1Å; D641-R644 IonicContact OD1-NH2 3.53Å; D641-R644 PolarHBondContact OD1-NH2 2.71Å; D641-R645 VanDerWaalsContact O-CB 3.28Å; D641-R645 WeakPolarHBondContact O-CB 3.42Å; D641-R645 VanDerWaalsContact O-CG 3.31Å; D641-R645 WeakPolarHBondContact O-CG 3.24Å; D641-R645 PolarHBondContact O-N 2.97Å; D641-K663 WeakPolarHBondContact OD2-CD 3.42Å; D641-K663 WeakPolarHBondContact OD2-CE 3.43Å; D641-K663 IonicContact OD2-NZ 3.9Å; D641-K663 PolarHBondContact OD2-NZ 3.16Å
642E71Confident85.9Confident121 Ų12128.2 Ų28.257%0.56513%0.133SC*.Hα-helixtrans-62.9-50176.5-69.3173.2-164.400111.3C640 R644 R645 L646C640-E642 PolarHBondContact O-N 3.27Å; C640-E642 VanDerWaalsContact O-N 3.17Å; E642-R644 VanDerWaalsContact C-N 3.35Å; E642-R645 PolarHBondContact O-N 3.5Å; E642-L646 PolarHBondContact O-N 3.48Å; E642-L646 VanDerWaalsContact O-N 3.1Å
643I80.4Confident85.5Confident14 Ų1430 Ų307%0.07214%0.14CC..Hα-helixtrans-64.6-44.7178.7-64.7175.2000109.2S639 C640 R645 L646 Y647 F735 C771S639-I643 WeakPolarHBondContact OG-CB 3.25Å; S639-I643 WeakPolarHBondContact OG-CD1 3.21Å; S639-I643 WeakPolarHBondContact OG-CG2 3.4Å; C640-I643 PolarHBondContact O-N 2.68Å; C640-I643 VanDerWaalsContact O-N 3.13Å; I643-R645 PolarHBondContact O-N 3.06Å; I643-L646 WeakPolarHBondContact O-CB 3.33Å; I643-L646 PolarHBondContact O-N 3.1Å; I643-L646 VanDerWaalsContact O-N 3.14Å; I643-Y647 HydrophobicContact CG2-CD2 4Å; I643-Y647 HydrophobicContact CG2-CE2 3.96Å; I643-Y647 WeakPolarHBondContact O-CD2 3.23Å; I643-Y647 PolarHBondContact O-N 2.85Å; I643-Y647 VanDerWaalsContact O-N 3.08Å; I643-F735 HydrophobicContact CD1-CE2 4.43Å; I643-C771 HydrophobicContact CG2-CB 4.04Å
644R86.4Confident84.8Confident10 Ų1034.3 Ų34.34%0.03816%0.16CC..Hα-helixtrans-62.3-41.5-179.8-162160.866.1-99-11.1113V636 G638 S639 C640 D641 E642 L646 Y647 C648 D701 L731V636-R644 HydrophobicContact CB-CG 4.33Å; V636-R644 HydrophobicContact CG1-CG 3.68Å; V636-R644 WeakPolarHBondContact O-CD 3.09Å; G638-R644 WeakPolarHBondContact O-CD 3.25Å; G638-R644 PolarHBondContact O-NH1 3.27Å; S639-R644 PolarHBondContact O-NH1 3.23Å; C640-R644 PolarHBondContact O-N 3.44Å; D641-R644 IonicContact OD1-CZ 3.72Å; D641-R644 IonicContact OD1-NH1 3.68Å; D641-R644 PolarHBondContact OD1-NH1 3.1Å; D641-R644 IonicContact OD1-NH2 3.53Å; D641-R644 PolarHBondContact OD1-NH2 2.71Å; E642-R644 VanDerWaalsContact C-N 3.35Å; R644-L646 VanDerWaalsContact C-N 3.33Å; R644-L646 PolarHBondContact O-N 2.93Å; R644-Y647 PolarHBondContact O-N 3.09Å; R644-C648 PolarHBondContact O-N 2.94Å; R644-C648 PolarHBondContact O-SG 3.17Å; R644-D701 VanDerWaalsContact CD-OD1 3.28Å; R644-D701 WeakPolarHBondContact CD-OD1 2.84Å; R644-D701 VanDerWaalsContact CG-OD1 3.29Å; R644-D701 WeakPolarHBondContact CG-OD1 3.3Å; R644-D701 IonicContact CZ-OD1 3.53Å; R644-D701 IonicContact NE-OD1 3.99Å; R644-D701 PolarHBondContact NE-OD1 3.2Å; R644-D701 IonicContact NH2-OD1 3.7Å; R644-D701 PolarHBondContact NH2-OD1 2.85Å; R644-L731 HydrophobicContact CB-CD1 4.02Å; R644-L731 HydrophobicContact CG-CD1 3.88Å
645R81Confident84.1Confident80 Ų8035.3 Ų35.330%0.30217%0.167SC..Hα-helixtrans-61.4-39.5173.3-82.4-171.7-85-174.10.9112.3D641 E642 I643 C648 K649D641-R645 VanDerWaalsContact O-CB 3.28Å; D641-R645 WeakPolarHBondContact O-CB 3.42Å; D641-R645 VanDerWaalsContact O-CG 3.31Å; D641-R645 WeakPolarHBondContact O-CG 3.24Å; D641-R645 PolarHBondContact O-N 2.97Å; E642-R645 PolarHBondContact O-N 3.5Å; I643-R645 PolarHBondContact O-N 3.06Å; R645-C648 PolarHBondContact O-N 3Å; R645-K649 WeakPolarHBondContact O-CB 3.07Å; R645-K649 PolarHBondContact O-N 2.96Å
646L82Confident83.5Confident40 Ų4040.3 Ų40.321%0.20919%0.194CC..Hα-helixtrans-61.4-47.5176.2-170.661000111.2E642 I643 R644 C648 K649 H650 E775 I778E642-L646 PolarHBondContact O-N 3.48Å; E642-L646 VanDerWaalsContact O-N 3.1Å; I643-L646 WeakPolarHBondContact O-CB 3.33Å; I643-L646 PolarHBondContact O-N 3.1Å; I643-L646 VanDerWaalsContact O-N 3.14Å; R644-L646 VanDerWaalsContact C-N 3.33Å; R644-L646 PolarHBondContact O-N 2.93Å; L646-C648 PolarHBondContact O-N 3.37Å; L646-K649 WeakPolarHBondContact O-CB 3.43Å; L646-K649 PolarHBondContact O-N 3.39Å; L646-H650 PolarHBondContact O-CD2 3.42Å; L646-H650 VanDerWaalsContact O-CD2 3.3Å; L646-H650 PolarHBondContact O-N 2.83Å; L646-E775 HydrophobicContact CD1-CG 4.28Å; L646-I778 HydrophobicContact CD2-CD1 3.31Å; L646-I778 HydrophobicContact CG-CD1 3.61Å
647Y90.4Very high83.3Confident0 Ų041.1 Ų41.10%020%0.197CC..Hα-helixtrans-61.1-45.6174.8-85.1-94.3000112.1I643 R644 K649 H650 I651 L731 I769 S770 C771 S772 I778 Q781 L782I643-Y647 HydrophobicContact CG2-CD2 4Å; I643-Y647 HydrophobicContact CG2-CE2 3.96Å; I643-Y647 WeakPolarHBondContact O-CD2 3.23Å; I643-Y647 PolarHBondContact O-N 2.85Å; I643-Y647 VanDerWaalsContact O-N 3.08Å; R644-Y647 PolarHBondContact O-N 3.09Å; Y647-K649 VanDerWaalsContact C-N 3.32Å; Y647-K649 PolarHBondContact O-N 3.5Å; Y647-H650 PolarHBondContact O-N 3.45Å; Y647-H650 VanDerWaalsContact O-N 3.07Å; Y647-I651 VanDerWaalsContact O-CG1 3.29Å; Y647-I651 WeakPolarHBondContact O-CG1 3.46Å; Y647-I651 PolarHBondContact O-N 2.84Å; Y647-L731 HydrophobicContact CD1-CD2 3.79Å; Y647-L731 HydrophobicContact CD2-CD1 3.92Å; Y647-L731 HydrophobicContact CD2-CD2 3.95Å; Y647-L731 HydrophobicContact CE1-CD2 4Å; Y647-L731 HydrophobicContact CE2-CD2 4.13Å; Y647-L731 HydrophobicContact CG-CD1 4.04Å; Y647-L731 HydrophobicContact CG-CD2 3.77Å; Y647-I769 HydrophobicContact CE1-CD1 4.44Å; Y647-I769 HydrophobicContact CE1-CG2 3.75Å; Y647-S770 PolarHBondContact OH-O 2.9Å; Y647-C771 WeakPolarHBondContact OH-CA 3.37Å; Y647-S772 PolarHBondContact OH-N 3.29Å; Y647-I778 HydrophobicContact CD1-CG2 3.81Å; Y647-I778 HydrophobicContact CD2-CD1 4.39Å; Y647-I778 HydrophobicContact CD2-CG2 4.47Å; Y647-I778 HydrophobicContact CE1-CB 4.41Å; Y647-I778 HydrophobicContact CE1-CG1 4.22Å; Y647-I778 HydrophobicContact CE1-CG2 3.83Å; Y647-I778 HydrophobicContact CE2-CD1 4.08Å; Y647-I778 HydrophobicContact CE2-CG1 3.92Å; Y647-I778 HydrophobicContact CG-CG2 4.14Å; Y647-Q781 PolarHBondContact OH-OE1 3.39Å; Y647-L782 HydrophobicContact CD1-CD1 4.02Å; Y647-L782 HydrophobicContact CD1-CD2 4.1Å; Y647-L782 HydrophobicContact CD1-CG 4.14Å; Y647-L782 HydrophobicContact CE1-CG 4.49Å
648C88.4Confident82.9Confident1 Ų141.2 Ų41.21%0.00720%0.198CC..Hα-helixtrans-59-41.6177.7-66.40000112.6R644 R645 L646 H650 I651 L652 Y659R644-C648 PolarHBondContact O-N 2.94Å; R644-C648 PolarHBondContact O-SG 3.17Å; R645-C648 PolarHBondContact O-N 3Å; L646-C648 PolarHBondContact O-N 3.37Å; C648-H650 VanDerWaalsContact C-N 3.29Å; C648-H650 PolarHBondContact O-N 3.27Å; C648-I651 PolarHBondContact O-N 2.84Å; C648-L652 WeakPolarHBondContact O-CG 3.46Å; C648-L652 PolarHBondContact O-N 3.34Å; C648-Y659 HydrophobicContact CB-CD2 3.91Å; C648-Y659 HydrophobicContact CB-CE2 3.51Å
649K83Confident82.7Confident109 Ų10942.4 Ų42.447%0.47420%0.2SC..Hα-helixtrans-58.3-39.9174.3-176.5-174.5179.2-171.20111.9R645 L646 Y647R645-K649 WeakPolarHBondContact O-CB 3.07Å; R645-K649 PolarHBondContact O-N 2.96Å; L646-K649 WeakPolarHBondContact O-CB 3.43Å; L646-K649 PolarHBondContact O-N 3.39Å; Y647-K649 VanDerWaalsContact C-N 3.32Å; Y647-K649 PolarHBondContact O-N 3.5Å
650H84.2Confident82.5Confident12 Ų1242.5 Ų42.56%0.05620%0.2CC..Hα-helixtrans-74.7-34.8176.2-80.6-94.7000112.9L646 Y647 C648 K653 E775 I778 L782L646-H650 PolarHBondContact O-CD2 3.42Å; L646-H650 VanDerWaalsContact O-CD2 3.3Å; L646-H650 PolarHBondContact O-N 2.83Å; Y647-H650 PolarHBondContact O-N 3.45Å; Y647-H650 VanDerWaalsContact O-N 3.07Å; C648-H650 VanDerWaalsContact C-N 3.29Å; C648-H650 PolarHBondContact O-N 3.27Å; H650-K653 WeakPolarHBondContact O-CB 3.37Å; H650-K653 PolarHBondContact O-N 2.9Å; H650-E775 PolarHBondContact CE1-O 2.71Å; H650-I778 HydrophobicContact CB-CG2 3.92Å; H650-L782 HydrophobicContact CB-CD1 3.42Å; H650-L782 VanDerWaalsContact CB-CD1 3.42Å
651I88.6Confident82.6Confident0 Ų042.2 Ų42.20%020%0.198CC..Hα-helixtrans-62.6-43.4174.2-63.7163.2000110.5I634 V636 Y647 C648 K653 Q654 C655 I699 I729 L782 F786I634-I651 HydrophobicContact CD1-CG2 4.32Å; V636-I651 HydrophobicContact CG2-CD1 3.78Å; Y647-I651 VanDerWaalsContact O-CG1 3.29Å; Y647-I651 WeakPolarHBondContact O-CG1 3.46Å; Y647-I651 PolarHBondContact O-N 2.84Å; C648-I651 PolarHBondContact O-N 2.84Å; I651-K653 PolarHBondContact O-N 2.86Å; I651-Q654 WeakPolarHBondContact O-CA 2.93Å; I651-Q654 WeakPolarHBondContact O-CB 3.04Å; I651-Q654 PolarHBondContact O-N 3.27Å; I651-C655 PolarHBondContact O-N 3.49Å; I651-C655 VanDerWaalsContact O-N 3.12Å; I651-C655 PolarHBondContact O-SG 3.23Å; I651-C655 VanDerWaalsContact O-SG 3.32Å; I651-I699 HydrophobicContact CB-CD1 3.97Å; I651-I699 HydrophobicContact CG2-CD1 3.48Å; I651-I699 VanDerWaalsContact CG2-CD1 3.48Å; I651-I699 HydrophobicContact CG2-CG1 4.02Å; I651-I729 HydrophobicContact CD1-CD1 3.53Å; I651-I729 HydrophobicContact CG1-CD1 4.34Å; I651-L782 HydrophobicContact CD1-CD2 4.33Å; I651-L782 HydrophobicContact CG1-CD1 3.81Å; I651-L782 HydrophobicContact CG1-CD2 3.86Å; I651-L782 HydrophobicContact CG1-CG 4.45Å; I651-F786 HydrophobicContact CG1-CE2 4.12Å; I651-F786 HydrophobicContact CG1-CZ 4.42Å; I651-F786 HydrophobicContact CG2-CE2 4.01Å; I651-F786 HydrophobicContact CG2-CZ 3.61Å
652L83.1Confident82.5Confident48 Ų4841.5 Ų41.525%0.25119%0.194SC..Hα-helixtrans-58.6-27.8176.2-78.5170.6000113.7C648 Q654 Y657 Y659 I699C648-L652 WeakPolarHBondContact O-CG 3.46Å; C648-L652 PolarHBondContact O-N 3.34Å; L652-Q654 VanDerWaalsContact C-N 3.28Å; L652-Y657 VanDerWaalsContact CD2-O 3.27Å; L652-Y657 WeakPolarHBondContact CD2-O 3.45Å; L652-Y659 HydrophobicContact CD1-CG 4.24Å; L652-I699 HydrophobicContact CD2-CD1 3.61Å; L652-I699 HydrophobicContact CG-CD1 3.67Å
653K79.9Confident82.1Confident134 Ų13440.9 Ų40.958%0.58319%0.189SC*.Hα-helixtrans-72.2-23.1174-66.5175.9179.9177.30112.6H650 I651H650-K653 WeakPolarHBondContact O-CB 3.37Å; H650-K653 PolarHBondContact O-N 2.9Å; I651-K653 PolarHBondContact O-N 2.86Å
654Q79.4Confident80.7Confident91 Ų9142.4 Ų42.443%0.42520%0.202SC..Hα-helixtrans-97.1-18.8-176.6-60.8-66.2-28.100112.8I651 L652 F786I651-Q654 WeakPolarHBondContact O-CA 2.93Å; I651-Q654 WeakPolarHBondContact O-CB 3.04Å; I651-Q654 PolarHBondContact O-N 3.27Å; L652-Q654 VanDerWaalsContact C-N 3.28Å; Q654-F786 HydrophobicContact CB-CD2 4.33Å; Q654-F786 HydrophobicContact CB-CG 4.49Å
655C81.3Confident79.1Confident21 Ų2142.8 Ų42.814%0.14220%0.204CC..SBendtrans-139.2144.6-178.5670000113.3I651 Y657I651-C655 PolarHBondContact O-N 3.49Å; I651-C655 VanDerWaalsContact O-N 3.12Å; I651-C655 PolarHBondContact O-SG 3.23Å; I651-C655 VanDerWaalsContact O-SG 3.32Å; C655-Y657 HydrophobicContact CB-CD1 3.94Å; C655-Y657 HydrophobicContact CB-CE1 4.21Å; C655-Y657 HydrophobicContact CB-CG 4.14Å; C655-Y657 PolarHBondContact O-N 3.23Å
656N82.1Confident77.7Confident104 Ų10440.9 Ų40.956%0.55620%0.202SC*.  trans-80.760.3175.7-175.625.5000111.5K695 A696N656-K695 WeakPolarHBondContact O-CB 3.47Å; N656-K695 WeakPolarHBondContact OD1-CD 3.47Å; N656-K695 WeakPolarHBondContact OD1-CG 3.35Å; N656-A696 PolarHBondContact O-N 3.41Å
657Y89.5Confident75.8Confident17 Ų1742.7 Ų42.77%0.06721%0.211CC..  trans-111.6157-175.8-73.618.6000110.9K632 I634 L652 C655 K695 A696 G697 I699 K726K632-Y657 HydrophobicContact CB-CE2 4.2Å; K632-Y657 VanDerWaalsContact CB-OH 3.29Å; K632-Y657 WeakPolarHBondContact CB-OH 3.31Å; K632-Y657 WeakPolarHBondContact O-CE2 3.16Å; I634-Y657 HydrophobicContact CD1-CD2 4.01Å; I634-Y657 HydrophobicContact CD1-CE2 3.72Å; I634-Y657 HydrophobicContact CG1-CD2 4.33Å; I634-Y657 HydrophobicContact CG1-CE2 3.95Å; L652-Y657 VanDerWaalsContact CD2-O 3.27Å; L652-Y657 WeakPolarHBondContact CD2-O 3.45Å; C655-Y657 HydrophobicContact CB-CD1 3.94Å; C655-Y657 HydrophobicContact CB-CE1 4.21Å; C655-Y657 HydrophobicContact CB-CG 4.14Å; C655-Y657 PolarHBondContact O-N 3.23Å; Y657-K695 WeakPolarHBondContact O-CD 3.26Å; Y657-K695 PolarHBondContact O-NZ 3.38Å; Y657-K695 VanDerWaalsContact O-NZ 3.08Å; Y657-A696 HydrophobicContact CD1-CB 4.28Å; Y657-A696 HydrophobicContact CE1-CB 3.98Å; Y657-G697 CarbonylContact C-O 3.45Å; Y657-G697 VanDerWaalsContact CA-O 3.27Å; Y657-G697 WeakPolarHBondContact CA-O 3.44Å; Y657-G697 WeakPolarHBondContact CB-O 3.43Å; Y657-I699 HydrophobicContact CD2-CG1 4.34Å; Y657-K726 WeakPolarHBondContact OH-CD 3.28Å
658N84.2Confident73.3Confident6 Ų646.5 Ų46.53%0.03224%0.236CC..EExtended strand (participates in β ladder)trans-79156.2167.4-72-36.1000109.6T693 K695 G697 Y698 I699N658-T693 PolarHBondContact ND2-OG1 3.34Å; N658-K695 WeakPolarHBondContact OD1-CD 3.48Å; N658-K695 WeakPolarHBondContact OD1-CE 3.28Å; N658-K695 PolarHBondContact OD1-NZ 3.12Å; N658-G697 PolarHBondContact N-O 2.93Å; N658-Y698 HydrophobicContact CB-CD1 3.49Å; N658-Y698 VanDerWaalsContact CB-CD1 3.49Å; N658-Y698 HydrophobicContact CB-CE1 3.54Å; N658-Y698 HydrophobicContact CB-CG 4.32Å; N658-Y698 WeakPolarHBondContact ND2-CE1 3.43Å; N658-Y698 PolarHBondContact ND2-OH 3.35Å; N658-Y698 CarbonylContact O-C 3.43Å; N658-Y698 WeakPolarHBondContact O-CA 3.34Å; N658-I699 PolarHBondContact O-N 3.4Å
659Y84.5Confident70.9Confident31 Ų3150.3 Ų50.312%0.12226%0.259CS..EExtended strand (participates in β ladder)trans-120.9128.8178.1165.9-100.9000109.4V313 F314 C648 L652 S661 I699 D701V313-Y659 HydrophobicContact CG1-CD1 3.74Å; V313-Y659 HydrophobicContact CG1-CE1 4.15Å; F314-Y659 HydrophobicContact CE1-CD1 4.11Å; F314-Y659 AromaticContact CE1-CE1 3.57Å; F314-Y659 HydrophobicContact CE1-CE1 3.57Å; F314-Y659 HydrophobicContact CZ-CD1 4.48Å; F314-Y659 AromaticContact CZ-CE1 3.67Å; F314-Y659 HydrophobicContact CZ-CE1 3.67Å; C648-Y659 HydrophobicContact CB-CD2 3.91Å; C648-Y659 HydrophobicContact CB-CE2 3.51Å; L652-Y659 HydrophobicContact CD1-CG 4.24Å; Y659-S661 WeakPolarHBondContact OH-CB 3.29Å; Y659-I699 HydrophobicContact CD2-CB 4.38Å; Y659-I699 HydrophobicContact CD2-CG2 4.26Å; Y659-D701 HydrophobicContact CD2-CB 4.38Å; Y659-D701 HydrophobicContact CE2-CB 3.51Å; Y659-D701 WeakPolarHBondContact CE2-OD2 3.14Å; Y659-D701 PolarHBondContact OH-OD2 2.72Å
660I82.8Confident68.5Low9 Ų948.2 Ų48.25%0.04625%0.253CS..EExtended strand (participates in β ladder)trans-127115.6178.8-61.5178000107.1I665 L682 I685 I686 Y698 I699 I700 D701I660-I665 HydrophobicContact CG2-CD1 3.67Å; I660-I665 HydrophobicContact CG2-CG1 4.41Å; I660-L682 HydrophobicContact CG2-CD1 4.1Å; I660-I685 HydrophobicContact CD1-CG2 3.97Å; I660-I685 HydrophobicContact CG1-CG2 4.29Å; I660-I685 HydrophobicContact CG2-CG2 4.4Å; I660-I686 HydrophobicContact CD1-CD1 4.48Å; I660-I686 HydrophobicContact CD1-CG1 3.49Å; I660-I686 VanDerWaalsContact CD1-CG1 3.49Å; I660-Y698 HydrophobicContact CD1-CD1 3.64Å; I660-Y698 HydrophobicContact CD1-CE1 4.14Å; I660-Y698 HydrophobicContact CG1-CD1 4.25Å; I660-I699 PolarHBondContact N-O 2.8Å; I660-I700 HydrophobicContact CB-CD1 3.96Å; I660-I700 HydrophobicContact CD1-CD1 3.93Å; I660-I700 HydrophobicContact CG1-CD1 4.33Å; I660-D701 PolarHBondContact O-N 3.29Å
661S79.9Confident66.3Low6 Ų655.8 Ų55.84%0.04229%0.293CS..EExtended strand (participates in β ladder)trans-91.8132.9171.8-168.40000110.2Y659 K663 S664 D701Y659-S661 WeakPolarHBondContact OH-CB 3.29Å; S661-K663 PolarHBondContact O-N 2.91Å; S661-S664 WeakPolarHBondContact O-CB 3.32Å; S661-S664 PolarHBondContact O-N 3.3Å; S661-D701 PolarHBondContact OG-OD2 2.72Å
662M69.4Low63.8Low17 Ų1763 Ų638%0.08433%0.332CS..G310 helixtrans-62.8-27.8176.3-166.864.4-148.500112.5S664 I665 T666 F677 D701 I703M662-S664 PolarHBondContact O-N 3.31Å; M662-I665 HydrophobicContact CE-CB 3.47Å; M662-I665 VanDerWaalsContact CE-CB 3.47Å; M662-I665 HydrophobicContact CE-CD1 4.4Å; M662-I665 HydrophobicContact CE-CG1 4.4Å; M662-I665 HydrophobicContact CE-CG2 3.47Å; M662-I665 VanDerWaalsContact CE-CG2 3.47Å; M662-I665 WeakPolarHBondContact O-CA 3.36Å; M662-I665 WeakPolarHBondContact O-CB 3.17Å; M662-I665 PolarHBondContact O-N 2.73Å; M662-I665 HydrophobicContact SD-CB 3.91Å; M662-I665 HydrophobicContact SD-CD1 3.85Å; M662-I665 HydrophobicContact SD-CG1 4.22Å; M662-I665 HydrophobicContact SD-CG2 4.25Å; M662-T666 HydrophobicContact CE-CG2 4Å; M662-T666 HydrophobicContact CG-CG2 4.37Å; M662-T666 PolarHBondContact O-N 2.65Å; M662-T666 PolarHBondContact O-OG1 2.64Å; M662-F677 HydrophobicContact CE-CB 4.46Å; M662-F677 HydrophobicContact CE-CD2 3.68Å; M662-F677 HydrophobicContact CE-CE2 4.49Å; M662-F677 HydrophobicContact SD-CD2 3.95Å; M662-F677 HydrophobicContact SD-CE2 4.39Å; M662-D701 WeakPolarHBondContact CB-O 3.31Å; M662-D701 PolarHBondContact N-O 3.18Å; M662-I703 HydrophobicContact CB-CG2 3.9Å; M662-I703 HydrophobicContact CG-CG2 3.41Å; M662-I703 VanDerWaalsContact CG-CG2 3.41Å; M662-I703 HydrophobicContact SD-CD1 3.97Å; M662-I703 HydrophobicContact SD-CG1 4.4Å; M662-I703 HydrophobicContact SD-CG2 3.55Å; M662-I703 VanDerWaalsContact SD-CG2 3.55Å
663K64Low61.6Low108 Ų10863.8 Ų63.847%0.4735%0.351SS..G310 helixtrans-58.4-27.1173.1-99.8-174.5162.8171.20113.2D641 S661 I665 T666D641-K663 WeakPolarHBondContact OD2-CD 3.42Å; D641-K663 WeakPolarHBondContact OD2-CE 3.43Å; D641-K663 IonicContact OD2-NZ 3.9Å; D641-K663 PolarHBondContact OD2-NZ 3.16Å; S661-K663 PolarHBondContact O-N 2.91Å; K663-I665 VanDerWaalsContact C-N 3.28Å; K663-T666 PolarHBondContact O-OG1 2.63Å
664S51.6Low59.6Low47 Ų4762.6 Ų62.633%0.32935%0.351SS..G310 helixtrans-79.6-11.5176.1-53.40000113.1S661 M662S661-S664 WeakPolarHBondContact O-CB 3.32Å; S661-S664 PolarHBondContact O-N 3.3Å; M662-S664 PolarHBondContact O-N 3.31Å
665I52.8Low58.1Low17 Ų1762.7 Ų62.79%0.08736%0.355CS..THydrogen-bonded Turntrans-105-32.9-175.3-49.4-171.7000111.1I660 M662 K663 K681 L682 I685I660-I665 HydrophobicContact CG2-CD1 3.67Å; I660-I665 HydrophobicContact CG2-CG1 4.41Å; M662-I665 HydrophobicContact CE-CB 3.47Å; M662-I665 VanDerWaalsContact CE-CB 3.47Å; M662-I665 HydrophobicContact CE-CD1 4.4Å; M662-I665 HydrophobicContact CE-CG1 4.4Å; M662-I665 HydrophobicContact CE-CG2 3.47Å; M662-I665 VanDerWaalsContact CE-CG2 3.47Å; M662-I665 WeakPolarHBondContact O-CA 3.36Å; M662-I665 WeakPolarHBondContact O-CB 3.17Å; M662-I665 PolarHBondContact O-N 2.73Å; M662-I665 HydrophobicContact SD-CB 3.91Å; M662-I665 HydrophobicContact SD-CD1 3.85Å; M662-I665 HydrophobicContact SD-CG1 4.22Å; M662-I665 HydrophobicContact SD-CG2 4.25Å; K663-I665 VanDerWaalsContact C-N 3.28Å; I665-K681 HydrophobicContact CG2-CB 3.81Å; I665-K681 HydrophobicContact CG2-CG 3.54Å; I665-L682 HydrophobicContact CD1-CB 4.3Å; I665-L682 HydrophobicContact CD1-CD1 3.68Å; I665-I685 HydrophobicContact CB-CD1 4.31Å; I665-I685 HydrophobicContact CD1-CD1 3.78Å; I665-I685 HydrophobicContact CG1-CD1 3.51Å; I665-I685 HydrophobicContact CG2-CD1 4.28Å
666T50.2Low57.1Low41 Ų4166.4 Ų66.425%0.25238%0.377SS..SBendtrans-70.5129.717449.20000110.9M662 K663 P668M662-T666 HydrophobicContact CE-CG2 4Å; M662-T666 HydrophobicContact CG-CG2 4.37Å; M662-T666 PolarHBondContact O-N 2.65Å; M662-T666 PolarHBondContact O-OG1 2.64Å; K663-T666 PolarHBondContact O-OG1 2.63Å; T666-P668 VanDerWaalsContact O-CD 3.3Å; T666-P668 WeakPolarHBondContact O-CD 3.47Å
667D41.7Very low56.5Low78 Ų7862.3 Ų62.342%0.41735%0.354SS..  trans-67.3115.9177-167.7-25.4000110.2V669 N675D667-V669 PolarHBondContact O-N 3.48Å; D667-V669 PolarHBondContact OD1-N 3.3Å; D667-N675 PolarHBondContact O-OD1 3.25Å
668P39.2Very low55.8Low80 Ų8063.8 Ų63.852%0.51937%0.367SS..THydrogen-bonded Turntrans-71.2-8-177.727.3-32000114.1M320 T666M320-P668 HydrophobicContact CE-CG 4.35Å; T666-P668 VanDerWaalsContact O-CD 3.3Å; T666-P668 WeakPolarHBondContact O-CD 3.47Å
669V37.1Very low55.6Low80 Ų8064 Ų6449%0.48537%0.368SS..THydrogen-bonded Turntrans-96.8-6.9-175-1750000113.6D667 L671D667-V669 PolarHBondContact O-N 3.48Å; D667-V669 PolarHBondContact OD1-N 3.3Å; V669-L671 VanDerWaalsContact C-N 3.33Å; V669-L671 PolarHBondContact O-N 2.64Å
670N33.8Very low55.3Low66 Ų6670.3 Ų70.335%0.35340%0.399SS..  trans-76.981.7179.6-152.54.8000112.2D672 G673 D674N670-D672 PolarHBondContact O-N 3.21Å; N670-G673 PolarHBondContact O-N 3.08Å; N670-D674 PolarHBondContact ND2-O 2.68Å
671L36.1Very low55Low170 Ų17073.8 Ų73.889%0.8941%0.413SS*.THydrogen-bonded Turntrans-67.2-14174.7-74165.3000113.3V669 G673V669-L671 VanDerWaalsContact C-N 3.33Å; V669-L671 PolarHBondContact O-N 2.64Å; L671-G673 PolarHBondContact O-N 3.32Å
672D38Very low55.1Low153 Ų15373.5 Ų73.582%0.81841%0.411SS*.THydrogen-bonded Turntrans-80.28.6178.7-76-19.5000113.3N670 D674N670-D672 PolarHBondContact O-N 3.21Å; D672-D674 VanDerWaalsContact C-N 3.26Å; D672-D674 PolarHBondContact O-N 2.92Å
673G35.1Very low55.8Low64 Ų6473.4 Ų73.466%0.6641%0.411SS*.SBendtrans79.7-2.5166.900000115.3N670 L671 N675N670-G673 PolarHBondContact O-N 3.08Å; L671-G673 PolarHBondContact O-N 3.32Å; G673-N675 VanDerWaalsContact C-N 3.31Å; G673-N675 PolarHBondContact O-N 3.1Å
674D38.8Very low56.3Low108 Ų10872.5 Ų72.558%0.57841%0.409SS*.  trans-91.166.1174.1-137.3-12.2000110.2N670 D672 T676N670-D674 PolarHBondContact ND2-O 2.68Å; D672-D674 VanDerWaalsContact C-N 3.26Å; D672-D674 PolarHBondContact O-N 2.92Å; D674-T676 VanDerWaalsContact CG-OG1 3.23Å; D674-T676 PolarHBondContact O-N 3.14Å; D674-T676 PolarHBondContact O-OG1 3.46Å; D674-T676 PolarHBondContact OD1-OG1 3.35Å
675N48.3Very low57.5Low94 Ų9472 Ų7250%0.50340%0.402SS..  trans-72.355.1168.8-83.2-17.8000110.2D667 G673 F677D667-N675 PolarHBondContact O-OD1 3.25Å; G673-N675 VanDerWaalsContact C-N 3.31Å; G673-N675 PolarHBondContact O-N 3.1Å; N675-F677 PolarHBondContact O-N 3.45Å
676T60.2Low58.9Low98 Ų9871.1 Ų71.160%0.60140%0.397SS*.  trans-71.4120.5-170.7-23.10000109.4D674 S678D674-T676 VanDerWaalsContact CG-OG1 3.23Å; D674-T676 PolarHBondContact O-N 3.14Å; D674-T676 PolarHBondContact O-OG1 3.46Å; D674-T676 PolarHBondContact OD1-OG1 3.35Å; T676-S678 PolarHBondContact O-N 3.42Å
677F69.1Low60.3Low18 Ų1871.7 Ų71.78%0.07940%0.401CS..  trans-49.7133.4166.9160.2-94000110.2M662 N675 L679 L682 I703 Q709 E712 I713M662-F677 HydrophobicContact CE-CB 4.46Å; M662-F677 HydrophobicContact CE-CD2 3.68Å; M662-F677 HydrophobicContact CE-CE2 4.49Å; M662-F677 HydrophobicContact SD-CD2 3.95Å; M662-F677 HydrophobicContact SD-CE2 4.39Å; N675-F677 PolarHBondContact O-N 3.45Å; F677-L679 HydrophobicContact CE1-CB 3.8Å; F677-L679 HydrophobicContact CZ-CB 3.86Å; F677-L679 HydrophobicContact CZ-CD1 4.12Å; F677-L682 HydrophobicContact CE2-CD2 4.31Å; F677-I703 HydrophobicContact CD2-CD1 4.39Å; F677-I703 HydrophobicContact CD2-CG2 4.14Å; F677-I703 HydrophobicContact CE2-CD1 3.71Å; F677-I703 HydrophobicContact CE2-CG2 4.44Å; F677-Q709 HydrophobicContact CB-CG 3.93Å; F677-Q709 HydrophobicContact CD1-CB 4.23Å; F677-Q709 HydrophobicContact CD1-CG 3.61Å; F677-Q709 HydrophobicContact CE1-CB 4.35Å; F677-Q709 HydrophobicContact CE1-CG 4.22Å; F677-Q709 HydrophobicContact CG-CG 3.79Å; F677-E712 WeakPolarHBondContact CE1-OE2 3.41Å; F677-I713 HydrophobicContact CE1-CG1 4.38Å; F677-I713 HydrophobicContact CE2-CD1 4.26Å; F677-I713 HydrophobicContact CZ-CD1 3.77Å; F677-I713 HydrophobicContact CZ-CG1 3.79Å
678S74.7Confident61.8Low49 Ų4971.6 Ų71.634%0.34340%0.398SS..  trans-116.4112.5171.1171.40000109.1T676 E680 K681 L682T676-S678 PolarHBondContact O-N 3.42Å; S678-E680 PolarHBondContact O-N 3.3Å; S678-K681 PolarHBondContact O-N 3.5Å; S678-K681 PolarHBondContact OG-N 3.2Å; S678-L682 PolarHBondContact O-N 3.24Å
679L80.6Confident63.4Low11 Ų1169.2 Ų69.26%0.05838%0.38CS..Hα-helixtrans-59.6-39.2173.2176.659.4000111.3F677 K681 L682 I683 E712 I713 Y716 L720F677-L679 HydrophobicContact CE1-CB 3.8Å; F677-L679 HydrophobicContact CZ-CB 3.86Å; F677-L679 HydrophobicContact CZ-CD1 4.12Å; L679-K681 VanDerWaalsContact C-N 3.31Å; L679-K681 PolarHBondContact O-N 3.38Å; L679-L682 HydrophobicContact CD1-CD2 4.31Å; L679-L682 WeakPolarHBondContact O-CB 3.32Å; L679-L682 PolarHBondContact O-N 3.19Å; L679-L682 VanDerWaalsContact O-N 3.15Å; L679-I683 HydrophobicContact CD1-CD1 4.31Å; L679-I683 HydrophobicContact CD1-CG1 4.19Å; L679-I683 HydrophobicContact CG-CG1 4.38Å; L679-I683 WeakPolarHBondContact O-CG1 3.35Å; L679-I683 PolarHBondContact O-N 2.62Å; L679-E712 HydrophobicContact CB-CG 4.46Å; L679-E712 VanDerWaalsContact CB-OE1 3.26Å; L679-E712 WeakPolarHBondContact CB-OE1 3.48Å; L679-E712 HydrophobicContact CD2-CG 3.87Å; L679-I713 HydrophobicContact CD1-CG1 4.05Å; L679-Y716 HydrophobicContact CD2-CD2 3.68Å; L679-Y716 HydrophobicContact CD2-CG 3.76Å; L679-Y716 HydrophobicContact CG-CD2 4.4Å; L679-Y716 HydrophobicContact CG-CG 4.46Å; L679-L720 HydrophobicContact CD1-CD2 4.16Å
680E77.8Confident65.3Low162 Ų16267 Ų6776%0.75736%0.364SS*.Hα-helixtrans-58-43178.4-171.7175.8-169.200112S678 L682 I683 Q684S678-E680 PolarHBondContact O-N 3.3Å; E680-L682 PolarHBondContact O-N 3.46Å; E680-I683 PolarHBondContact O-N 3.07Å; E680-Q684 PolarHBondContact O-N 3.32Å
681K76.1Confident67Low82 Ų8268.5 Ų68.536%0.35738%0.38SS..Hα-helixtrans-64-40.6176.7-164.475.4177.6178.10112.1I665 S678 L679 Q684 I685I665-K681 HydrophobicContact CG2-CB 3.81Å; I665-K681 HydrophobicContact CG2-CG 3.54Å; S678-K681 PolarHBondContact O-N 3.5Å; S678-K681 PolarHBondContact OG-N 3.2Å; L679-K681 VanDerWaalsContact C-N 3.31Å; L679-K681 PolarHBondContact O-N 3.38Å; K681-Q684 PolarHBondContact O-N 2.95Å; K681-I685 HydrophobicContact CG-CD1 4.43Å; K681-I685 WeakPolarHBondContact O-CG1 3.48Å; K681-I685 PolarHBondContact O-N 2.92Å; K681-I685 VanDerWaalsContact O-N 3.08Å
682L82.7Confident68.4Low0 Ų068.9 Ų68.90%037%0.37CS..Hα-helixtrans-61.1-45.6174.617565.8000111.2I660 I665 F677 S678 L679 E680 Q684 I685 I686 I700 I703I660-L682 HydrophobicContact CG2-CD1 4.1Å; I665-L682 HydrophobicContact CD1-CB 4.3Å; I665-L682 HydrophobicContact CD1-CD1 3.68Å; F677-L682 HydrophobicContact CE2-CD2 4.31Å; S678-L682 PolarHBondContact O-N 3.24Å; L679-L682 HydrophobicContact CD1-CD2 4.31Å; L679-L682 WeakPolarHBondContact O-CB 3.32Å; L679-L682 PolarHBondContact O-N 3.19Å; L679-L682 VanDerWaalsContact O-N 3.15Å; E680-L682 PolarHBondContact O-N 3.46Å; L682-Q684 VanDerWaalsContact C-N 3.34Å; L682-Q684 PolarHBondContact O-N 2.84Å; L682-I685 PolarHBondContact O-N 2.85Å; L682-I686 HydrophobicContact CD1-CD1 3.99Å; L682-I686 HydrophobicContact CD1-CG1 4.39Å; L682-I686 HydrophobicContact CG-CD1 3.9Å; L682-I686 VanDerWaalsContact O-CG1 3.31Å; L682-I686 WeakPolarHBondContact O-CG1 3.33Å; L682-I686 PolarHBondContact O-N 3.18Å; L682-I700 HydrophobicContact CD1-CD1 4.35Å; L682-I703 HydrophobicContact CD1-CD1 4.4Å; L682-I703 HydrophobicContact CD2-CD1 3.6Å
683I84.4Confident69.9Low15 Ų1563.1 Ų63.18%0.07734%0.34CS..Hα-helixtrans-64.3-40177.9-62.4-54.6000111.2L628 L679 E680 I685 I686 T687 Y716 L720L628-I683 HydrophobicContact CD2-CD1 4.19Å; L679-I683 HydrophobicContact CD1-CD1 4.31Å; L679-I683 HydrophobicContact CD1-CG1 4.19Å; L679-I683 HydrophobicContact CG-CG1 4.38Å; L679-I683 WeakPolarHBondContact O-CG1 3.35Å; L679-I683 PolarHBondContact O-N 2.62Å; E680-I683 PolarHBondContact O-N 3.07Å; I683-I685 PolarHBondContact O-N 2.9Å; I683-I686 PolarHBondContact O-N 3.17Å; I683-T687 VanDerWaalsContact O-CB 3.31Å; I683-T687 WeakPolarHBondContact O-CB 3.33Å; I683-T687 PolarHBondContact O-N 3.38Å; I683-T687 PolarHBondContact O-OG1 3.38Å; I683-Y716 HydrophobicContact CD1-CD1 3.81Å; I683-Y716 HydrophobicContact CD1-CE1 3.36Å; I683-Y716 HydrophobicContact CG1-CD1 4.26Å; I683-Y716 HydrophobicContact CG1-CE1 3.62Å; I683-Y716 HydrophobicContact CG1-CE2 4.48Å; I683-Y716 HydrophobicContact CG2-CE1 4.49Å; I683-L720 HydrophobicContact CD1-CD2 3.66Å
684Q75Confident71.8Confident90 Ų9071.9 Ų71.942%0.42135%0.354SS..Hα-helixtrans-58.2-50.4175.9-175.5-173-400110.9E680 K681 L682 I686 T687 E688E680-Q684 PolarHBondContact O-N 3.32Å; K681-Q684 PolarHBondContact O-N 2.95Å; L682-Q684 VanDerWaalsContact C-N 3.34Å; L682-Q684 PolarHBondContact O-N 2.84Å; Q684-I686 PolarHBondContact O-N 3.44Å; Q684-T687 PolarHBondContact O-N 3.39Å; Q684-E688 WeakPolarHBondContact CG-OE1 3.41Å; Q684-E688 PolarHBondContact NE2-OE1 3.43Å; Q684-E688 WeakPolarHBondContact O-CG 3.39Å; Q684-E688 PolarHBondContact O-N 3.47Å
685I75.4Confident73.7Confident35 Ų3570 Ų7018%0.17934%0.34CS..Hα-helixtrans-61.1-45.7179.9-68.2167.4000111.2I660 I665 K681 L682 I683 T687 E688 E689I660-I685 HydrophobicContact CD1-CG2 3.97Å; I660-I685 HydrophobicContact CG1-CG2 4.29Å; I660-I685 HydrophobicContact CG2-CG2 4.4Å; I665-I685 HydrophobicContact CB-CD1 4.31Å; I665-I685 HydrophobicContact CD1-CD1 3.78Å; I665-I685 HydrophobicContact CG1-CD1 3.51Å; I665-I685 HydrophobicContact CG2-CD1 4.28Å; K681-I685 HydrophobicContact CG-CD1 4.43Å; K681-I685 WeakPolarHBondContact O-CG1 3.48Å; K681-I685 PolarHBondContact O-N 2.92Å; K681-I685 VanDerWaalsContact O-N 3.08Å; L682-I685 PolarHBondContact O-N 2.85Å; I683-I685 PolarHBondContact O-N 2.9Å; I685-T687 VanDerWaalsContact C-N 3.31Å; I685-T687 PolarHBondContact O-N 3.03Å; I685-E688 PolarHBondContact O-N 3.04Å; I685-E689 WeakPolarHBondContact O-CB 3.49Å; I685-E689 WeakPolarHBondContact O-CG 3.36Å; I685-E689 PolarHBondContact O-N 2.85Å
686I83Confident75.5Confident0 Ų068.2 Ų68.20%034%0.338CS..Hα-helixtrans-59.1-46176.4-70.3167000110.2L628 F633 I660 L682 I683 Q684 E689 M690 Y698 L720L628-I686 HydrophobicContact CD1-CG2 3.73Å; F633-I686 HydrophobicContact CE1-CD1 3.92Å; I660-I686 HydrophobicContact CD1-CD1 4.48Å; I660-I686 HydrophobicContact CD1-CG1 3.49Å; I660-I686 VanDerWaalsContact CD1-CG1 3.49Å; L682-I686 HydrophobicContact CD1-CD1 3.99Å; L682-I686 HydrophobicContact CD1-CG1 4.39Å; L682-I686 HydrophobicContact CG-CD1 3.9Å; L682-I686 VanDerWaalsContact O-CG1 3.31Å; L682-I686 WeakPolarHBondContact O-CG1 3.33Å; L682-I686 PolarHBondContact O-N 3.18Å; I683-I686 PolarHBondContact O-N 3.17Å; Q684-I686 PolarHBondContact O-N 3.44Å; I686-E689 PolarHBondContact O-N 2.75Å; I686-M690 HydrophobicContact CG2-CE 3.52Å; I686-M690 HydrophobicContact CG2-CG 4.4Å; I686-M690 HydrophobicContact CG2-SD 4.25Å; I686-M690 VanDerWaalsContact O-CG 3.26Å; I686-M690 WeakPolarHBondContact O-CG 3.46Å; I686-M690 PolarHBondContact O-N 2.89Å; I686-Y698 HydrophobicContact CG1-CD1 4.44Å; I686-Y698 HydrophobicContact CG2-CE1 4.3Å; I686-Y698 HydrophobicContact CG2-CE2 4.07Å; I686-Y698 PolarHBondContact O-OH 2.84Å; I686-L720 HydrophobicContact CD1-CD1 4.21Å
687T79Confident76.9Confident52 Ų5263.5 Ų63.532%0.31931%0.309SS..Hα-helixtrans-64-42.4-178.4-53.60000111.8V624 I683 Q684 I685 M690 S691V624-T687 HydrophobicContact CG1-CG2 3.93Å; I683-T687 VanDerWaalsContact O-CB 3.31Å; I683-T687 WeakPolarHBondContact O-CB 3.33Å; I683-T687 PolarHBondContact O-N 3.38Å; I683-T687 PolarHBondContact O-OG1 3.38Å; Q684-T687 PolarHBondContact O-N 3.39Å; I685-T687 VanDerWaalsContact C-N 3.31Å; I685-T687 PolarHBondContact O-N 3.03Å; T687-M690 WeakPolarHBondContact O-CB 3.42Å; T687-M690 PolarHBondContact O-N 3.07Å; T687-S691 PolarHBondContact O-N 3.3Å
688E72.8Confident78Confident77 Ų7762.7 Ų62.736%0.3631%0.306SS..Hα-helixtrans-63.6-43.4174.9-74175.7-164.600111.4Q684 I685 M690 S691 R692Q684-E688 WeakPolarHBondContact CG-OE1 3.41Å; Q684-E688 PolarHBondContact NE2-OE1 3.43Å; Q684-E688 WeakPolarHBondContact O-CG 3.39Å; Q684-E688 PolarHBondContact O-N 3.47Å; I685-E688 PolarHBondContact O-N 3.04Å; E688-M690 PolarHBondContact O-N 3.25Å; E688-S691 PolarHBondContact O-N 2.89Å; E688-S691 PolarHBondContact O-OG 2.81Å; E688-R692 WeakPolarHBondContact O-CG 3.49Å; E688-R692 PolarHBondContact O-N 3.46Å
689E73.1Confident78.8Confident29 Ų2960.3 Ų60.314%0.13629%0.289CS..Hα-helixtrans-67.3-32.7176.9-76.4-61.4138.500113.2I685 I686 S691 R692 T693 Y698I685-E689 WeakPolarHBondContact O-CB 3.49Å; I685-E689 WeakPolarHBondContact O-CG 3.36Å; I685-E689 PolarHBondContact O-N 2.85Å; I686-E689 PolarHBondContact O-N 2.75Å; E689-S691 VanDerWaalsContact C-N 3.27Å; E689-S691 PolarHBondContact O-N 3.19Å; E689-R692 PolarHBondContact O-N 3.32Å; E689-T693 PolarHBondContact O-N 2.89Å; E689-T693 PolarHBondContact O-OG1 3.18Å; E689-Y698 HydrophobicContact CB-CE1 4.04Å
690M77.2Confident79.4Confident33 Ų3359.9 Ų59.916%0.16329%0.287CS..Hα-helixtrans-60.4-37.4172.1-76.2-178.8176.500112.3L628 Y631 I686 T687 E688 R692 Y698L628-M690 HydrophobicContact CD1-CE 3.31Å; Y631-M690 HydrophobicContact CD1-CE 4.41Å; Y631-M690 HydrophobicContact CD2-CE 3.17Å; Y631-M690 HydrophobicContact CD2-SD 4.17Å; Y631-M690 HydrophobicContact CE1-CG 4.44Å; Y631-M690 HydrophobicContact CE2-CE 3.34Å; Y631-M690 HydrophobicContact CE2-CG 3.88Å; Y631-M690 HydrophobicContact CE2-SD 3.73Å; Y631-M690 HydrophobicContact CG-CE 3.75Å; I686-M690 HydrophobicContact CG2-CE 3.52Å; I686-M690 HydrophobicContact CG2-CG 4.4Å; I686-M690 HydrophobicContact CG2-SD 4.25Å; I686-M690 VanDerWaalsContact O-CG 3.26Å; I686-M690 WeakPolarHBondContact O-CG 3.46Å; I686-M690 PolarHBondContact O-N 2.89Å; T687-M690 WeakPolarHBondContact O-CB 3.42Å; T687-M690 PolarHBondContact O-N 3.07Å; E688-M690 PolarHBondContact O-N 3.25Å; M690-R692 VanDerWaalsContact C-N 3.26Å; M690-R692 PolarHBondContact O-N 3.11Å; M690-Y698 HydrophobicContact CE-CE2 3.91Å; M690-Y698 HydrophobicContact CG-CE2 4.48Å; M690-Y698 WeakPolarHBondContact CG-OH 3.37Å; M690-Y698 PolarHBondContact N-OH 3.22Å
691S70.3Confident79.9Confident99 Ų9952.2 Ų52.269%0.69225%0.251SS*.Hα-helixtrans-71.1-23.2178.575.80000113T687 E688 E689T687-S691 PolarHBondContact O-N 3.3Å; E688-S691 PolarHBondContact O-N 2.89Å; E688-S691 PolarHBondContact O-OG 2.81Å; E689-S691 VanDerWaalsContact C-N 3.27Å; E689-S691 PolarHBondContact O-N 3.19Å
692R65.5Low80.4Confident177 Ų17749 Ų4967%0.66824%0.242SC*.Hα-helixtrans-100.4-29-173.3-65.5178.3-172.7-79.21.1113.7E688 E689 M690E688-R692 WeakPolarHBondContact O-CG 3.49Å; E688-R692 PolarHBondContact O-N 3.46Å; E689-R692 PolarHBondContact O-N 3.32Å; M690-R692 VanDerWaalsContact C-N 3.26Å; M690-R692 PolarHBondContact O-N 3.11Å
693T70Confident80.6Confident32 Ų3249.1 Ų49.120%0.19624%0.242CC..  trans-125.7145.6-169.169.80000112.3N658 E689N658-T693 PolarHBondContact ND2-OG1 3.34Å; E689-T693 PolarHBondContact O-N 2.89Å; E689-T693 PolarHBondContact O-OG1 3.18Å
694R73.5Confident80.8Confident249 Ų24948.5 Ų48.594%0.9424%0.239SC*.  trans-99.127.8171.7-64.1-171.1179.9-179.12112.7
695K79.9Confident81.2Confident69 Ų6948.7 Ų48.730%0.324%0.243SC..  trans-72156.5-179.6-68.1-152.2-163.6156.10111.1Y631 N656 Y657 N658Y631-K695 WeakPolarHBondContact CE1-O 3.45Å; N656-K695 WeakPolarHBondContact O-CB 3.47Å; N656-K695 WeakPolarHBondContact OD1-CD 3.47Å; N656-K695 WeakPolarHBondContact OD1-CG 3.35Å; Y657-K695 WeakPolarHBondContact O-CD 3.26Å; Y657-K695 PolarHBondContact O-NZ 3.38Å; Y657-K695 VanDerWaalsContact O-NZ 3.08Å; N658-K695 WeakPolarHBondContact OD1-CD 3.48Å; N658-K695 WeakPolarHBondContact OD1-CE 3.28Å; N658-K695 PolarHBondContact OD1-NZ 3.12Å
696A84.4Confident81.6Confident55 Ų5548.2 Ų48.246%0.45524%0.243SC..SBendtrans-87.3-5.3-169.700000114.4K632 N656 Y657K632-A696 PolarHBondContact N-O 3.39Å; N656-A696 PolarHBondContact O-N 3.41Å; Y657-A696 HydrophobicContact CD1-CB 4.28Å; Y657-A696 HydrophobicContact CE1-CB 3.98Å
697G89.7Confident81.7Confident0 Ų050 Ų500%025%0.252CS..EExtended strand (participates in β ladder)trans179.1-173.1-172.400000113.4K632 Y657 N658K632-G697 CarbonylContact O-C 3.53Å; K632-G697 WeakPolarHBondContact O-CA 3.29Å; Y657-G697 CarbonylContact C-O 3.45Å; Y657-G697 VanDerWaalsContact CA-O 3.27Å; Y657-G697 WeakPolarHBondContact CA-O 3.44Å; Y657-G697 WeakPolarHBondContact CB-O 3.43Å; N658-G697 PolarHBondContact N-O 2.93Å
698Y92.1Very high81.9Confident0 Ų050.9 Ų50.90%027%0.265CS..EExtended strand (participates in β ladder)trans-134.9138.7-175.9-64.9-93.8000111.1Y631 K632 F633 I634 N658 I660 I686 E689 M690Y631-Y698 HydrophobicContact CD1-CD2 4.19Å; Y631-Y698 AromaticContact CD1-CE2 3.52Å; Y631-Y698 HydrophobicContact CD1-CE2 3.52Å; Y631-Y698 HydrophobicContact CE1-CE2 4.03Å; Y631-Y698 HydrophobicContact CG-CD2 4.38Å; Y631-Y698 AromaticContact CG-CE2 3.84Å; Y631-Y698 HydrophobicContact CG-CE2 3.84Å; K632-Y698 PolarHBondContact O-N 3.22Å; F633-Y698 CarbonylContact C-O 3.46Å; F633-Y698 WeakPolarHBondContact CA-O 3.35Å; F633-Y698 HydrophobicContact CD1-CD2 4.29Å; F633-Y698 HydrophobicContact CD1-CG 4.29Å; F633-Y698 AromaticContact CE1-CD2 3.53Å; F633-Y698 HydrophobicContact CE1-CD2 3.53Å; F633-Y698 HydrophobicContact CE1-CE2 4.49Å; F633-Y698 AromaticContact CE1-CG 3.75Å; F633-Y698 HydrophobicContact CE1-CG 3.75Å; F633-Y698 AromaticContact CZ-CD2 3.75Å; F633-Y698 HydrophobicContact CZ-CD2 3.75Å; F633-Y698 HydrophobicContact CZ-CE2 4.41Å; F633-Y698 HydrophobicContact CZ-CG 4.43Å; I634-Y698 PolarHBondContact N-O 2.79Å; N658-Y698 HydrophobicContact CB-CD1 3.49Å; N658-Y698 VanDerWaalsContact CB-CD1 3.49Å; N658-Y698 HydrophobicContact CB-CE1 3.54Å; N658-Y698 HydrophobicContact CB-CG 4.32Å; N658-Y698 WeakPolarHBondContact ND2-CE1 3.43Å; N658-Y698 PolarHBondContact ND2-OH 3.35Å; N658-Y698 CarbonylContact O-C 3.43Å; N658-Y698 WeakPolarHBondContact O-CA 3.34Å; I660-Y698 HydrophobicContact CD1-CD1 3.64Å; I660-Y698 HydrophobicContact CD1-CE1 4.14Å; I660-Y698 HydrophobicContact CG1-CD1 4.25Å; I686-Y698 HydrophobicContact CG1-CD1 4.44Å; I686-Y698 HydrophobicContact CG2-CE1 4.3Å; I686-Y698 HydrophobicContact CG2-CE2 4.07Å; I686-Y698 PolarHBondContact O-OH 2.84Å; E689-Y698 HydrophobicContact CB-CE1 4.04Å; M690-Y698 HydrophobicContact CE-CE2 3.91Å; M690-Y698 HydrophobicContact CG-CE2 4.48Å; M690-Y698 WeakPolarHBondContact CG-OH 3.37Å; M690-Y698 PolarHBondContact N-OH 3.22Å
699I92.6Very high82.6Confident0 Ų048.1 Ų48.10%025%0.252CS..EExtended strand (participates in β ladder)trans-100.4118.8164.4-56.9163.8000106.3I634 V636 I651 L652 Y657 N658 Y659 I660I634-I699 HydrophobicContact CB-CG1 4.48Å; I634-I699 CarbonylContact O-C 3.31Å; I634-I699 VanDerWaalsContact O-CA 3.3Å; I634-I699 WeakPolarHBondContact O-CA 3.3Å; V636-I699 HydrophobicContact CG2-CG2 3.84Å; I651-I699 HydrophobicContact CB-CD1 3.97Å; I651-I699 HydrophobicContact CG2-CD1 3.48Å; I651-I699 VanDerWaalsContact CG2-CD1 3.48Å; I651-I699 HydrophobicContact CG2-CG1 4.02Å; L652-I699 HydrophobicContact CD2-CD1 3.61Å; L652-I699 HydrophobicContact CG-CD1 3.67Å; Y657-I699 HydrophobicContact CD2-CG1 4.34Å; N658-I699 PolarHBondContact O-N 3.4Å; Y659-I699 HydrophobicContact CD2-CB 4.38Å; Y659-I699 HydrophobicContact CD2-CG2 4.26Å; I660-I699 PolarHBondContact N-O 2.8Å
700I92.3Very high83.4Confident2 Ų246.8 Ų46.81%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-105.6112.7179.6-52.2-56.8000107.8F633 I634 F635 V636 I660 L682 I703F633-I700 HydrophobicContact CD1-CD1 4.28Å; F633-I700 HydrophobicContact CD1-CG1 4.05Å; I634-I700 PolarHBondContact O-N 3.18Å; F635-I700 CarbonylContact C-O 3.58Å; F635-I700 WeakPolarHBondContact CA-O 3.48Å; F635-I700 HydrophobicContact CD1-CB 3.64Å; F635-I700 HydrophobicContact CD1-CG1 4.19Å; F635-I700 HydrophobicContact CD1-CG2 3.84Å; F635-I700 HydrophobicContact CE1-CB 3.81Å; F635-I700 HydrophobicContact CE1-CG1 3.91Å; F635-I700 HydrophobicContact CE1-CG2 3.87Å; F635-I700 HydrophobicContact CG-CB 4.42Å; F635-I700 HydrophobicContact CZ-CG1 4.4Å; V636-I700 PolarHBondContact N-O 3.48Å; I660-I700 HydrophobicContact CB-CD1 3.96Å; I660-I700 HydrophobicContact CD1-CD1 3.93Å; I660-I700 HydrophobicContact CG1-CD1 4.33Å; L682-I700 HydrophobicContact CD1-CD1 4.35Å; I700-I703 HydrophobicContact CG2-CD1 3.52Å; I700-I703 HydrophobicContact CG2-CG1 3.29Å
701D89.4Confident83.9Confident1 Ų150.9 Ų50.91%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-103.1116.6-172.4165.916.5000111.2R644 Y659 I660 S661 M662R644-D701 VanDerWaalsContact CD-OD1 3.28Å; R644-D701 WeakPolarHBondContact CD-OD1 2.84Å; R644-D701 VanDerWaalsContact CG-OD1 3.29Å; R644-D701 WeakPolarHBondContact CG-OD1 3.3Å; R644-D701 IonicContact CZ-OD1 3.53Å; R644-D701 IonicContact NE-OD1 3.99Å; R644-D701 PolarHBondContact NE-OD1 3.2Å; R644-D701 IonicContact NH2-OD1 3.7Å; R644-D701 PolarHBondContact NH2-OD1 2.85Å; Y659-D701 HydrophobicContact CD2-CB 4.38Å; Y659-D701 HydrophobicContact CE2-CB 3.51Å; Y659-D701 WeakPolarHBondContact CE2-OD2 3.14Å; Y659-D701 PolarHBondContact OH-OD2 2.72Å; I660-D701 PolarHBondContact O-N 3.29Å; S661-D701 PolarHBondContact OG-OD2 2.72Å; M662-D701 WeakPolarHBondContact CB-O 3.31Å; M662-D701 PolarHBondContact N-O 3.18Å
702G86.8Confident84.7Confident15 Ų1550.3 Ų50.316%0.15525%0.249CC..SBendtrans98.65169.500000116V636V636-G702 PolarHBondContact O-N 3.01Å
703I87.2Confident85.9Confident2 Ų241.9 Ų41.91%0.0122%0.217CC..  trans-131.5150.417253.3170.4000111.7F635 I637 M662 F677 L682 I700 I713F635-I703 WeakPolarHBondContact CD1-O 3.26Å; I637-I703 VanDerWaalsContact CG2-C 3.43Å; I637-I703 WeakPolarHBondContact CG2-O 3.24Å; M662-I703 HydrophobicContact CB-CG2 3.9Å; M662-I703 HydrophobicContact CG-CG2 3.41Å; M662-I703 VanDerWaalsContact CG-CG2 3.41Å; M662-I703 HydrophobicContact SD-CD1 3.97Å; M662-I703 HydrophobicContact SD-CG1 4.4Å; M662-I703 HydrophobicContact SD-CG2 3.55Å; M662-I703 VanDerWaalsContact SD-CG2 3.55Å; F677-I703 HydrophobicContact CD2-CD1 4.39Å; F677-I703 HydrophobicContact CD2-CG2 4.14Å; F677-I703 HydrophobicContact CE2-CD1 3.71Å; F677-I703 HydrophobicContact CE2-CG2 4.44Å; L682-I703 HydrophobicContact CD1-CD1 4.4Å; L682-I703 HydrophobicContact CD2-CD1 3.6Å; I700-I703 HydrophobicContact CG2-CD1 3.52Å; I700-I703 HydrophobicContact CG2-CG1 3.29Å; I703-I713 HydrophobicContact CD1-CD1 4.19Å
704P88.4Confident86.8Confident1 Ų142.2 Ų42.21%0.00622%0.216CC..  cis-77148.7-232.7-33.8000111.4Q709 A710 F722 L756 L760P704-Q709 HydrophobicContact CB-CB 3.96Å; P704-A710 HydrophobicContact CB-CB 3.79Å; P704-A710 HydrophobicContact CG-CB 3.78Å; P704-F722 HydrophobicContact CB-CZ 4.16Å; P704-F722 VanDerWaalsContact CD-CE1 3.46Å; P704-F722 VanDerWaalsContact CD-CZ 3.45Å; P704-F722 HydrophobicContact CG-CE1 3.93Å; P704-F722 HydrophobicContact CG-CE2 4.19Å; P704-F722 HydrophobicContact CG-CZ 3.54Å; P704-L756 HydrophobicContact CB-CD1 4.35Å; P704-L756 HydrophobicContact CB-CD2 4.41Å; P704-L756 HydrophobicContact CG-CD1 3.96Å; P704-L756 HydrophobicContact CG-CD2 4.31Å; P704-L760 HydrophobicContact CG-CD1 4.27Å; P704-L760 HydrophobicContact CG-CD2 4.15Å
705N83.8Confident87.5Confident94 Ų9434.2 Ų34.250%0.50320%0.204SC..  trans-106.5-8.9172.272.56.3000113.4Q709N705-Q709 PolarHBondContact OD1-NE2 3.32Å; N705-Q709 PolarHBondContact OD1-OE1 2.74Å
706S82.9Confident87.6Confident26 Ų2635.1 Ų35.118%0.18221%0.206CC..SBendtrans-140.5157.9177.259.40000111A708 Q709 A710S706-A708 PolarHBondContact O-N 3.02Å; S706-Q709 PolarHBondContact O-N 3.42Å; S706-Q709 WeakPolarHBondContact OG-CG 3.4Å; S706-A710 PolarHBondContact O-N 2.69Å
707L85.3Confident87.4Confident36 Ų3633 Ų3319%0.18819%0.187CC..Hα-helixtrans-60.5-30.8176.1-178.461.3000112.7A710 K711 F759L707-A710 PolarHBondContact O-N 2.82Å; L707-K711 HydrophobicContact CD1-CD 4.46Å; L707-K711 HydrophobicContact CD1-CG 4.36Å; L707-K711 HydrophobicContact CG-CD 4.24Å; L707-K711 WeakPolarHBondContact O-CG 3.38Å; L707-K711 PolarHBondContact O-N 3.34Å; L707-F759 HydrophobicContact CD1-CB 3.57Å; L707-F759 HydrophobicContact CD1-CD1 4.34Å; L707-F759 HydrophobicContact CD1-CD2 4.21Å; L707-F759 HydrophobicContact CD1-CG 3.78Å
708A82.7Confident86.9Confident71 Ų7137.1 Ų37.159%0.58721%0.209SC*.Hα-helixtrans-63.7-51178.400000111.7S706 A710 K711 E712S706-A708 PolarHBondContact O-N 3.02Å; A708-A710 VanDerWaalsContact C-N 3.27Å; A708-A710 PolarHBondContact O-N 3.1Å; A708-K711 PolarHBondContact O-N 2.8Å; A708-E712 PolarHBondContact O-N 3.01Å
709Q88.2Confident86.2Confident20 Ų2037.9 Ų37.99%0.09321%0.214CC..Hα-helixtrans-59.4-41.1175.9-67.9175.50.300111.6F677 P704 N705 S706 K711 E712 I713F677-Q709 HydrophobicContact CB-CG 3.93Å; F677-Q709 HydrophobicContact CD1-CB 4.23Å; F677-Q709 HydrophobicContact CD1-CG 3.61Å; F677-Q709 HydrophobicContact CE1-CB 4.35Å; F677-Q709 HydrophobicContact CE1-CG 4.22Å; F677-Q709 HydrophobicContact CG-CG 3.79Å; P704-Q709 HydrophobicContact CB-CB 3.96Å; N705-Q709 PolarHBondContact OD1-NE2 3.32Å; N705-Q709 PolarHBondContact OD1-OE1 2.74Å; S706-Q709 PolarHBondContact O-N 3.42Å; S706-Q709 WeakPolarHBondContact OG-CG 3.4Å; Q709-K711 VanDerWaalsContact C-N 3.34Å; Q709-K711 PolarHBondContact O-N 3Å; Q709-E712 PolarHBondContact O-N 3.47Å; Q709-I713 WeakPolarHBondContact O-CG1 3.29Å; Q709-I713 PolarHBondContact O-N 2.85Å
710A89Confident85.9Confident0 Ų037.9 Ų37.90%021%0.214CC..Hα-helixtrans-62.9-42.5-179.800000111.7P704 S706 L707 A708 E714 F722 L756 F759P704-A710 HydrophobicContact CB-CB 3.79Å; P704-A710 HydrophobicContact CG-CB 3.78Å; S706-A710 PolarHBondContact O-N 2.69Å; L707-A710 PolarHBondContact O-N 2.82Å; A708-A710 VanDerWaalsContact C-N 3.27Å; A708-A710 PolarHBondContact O-N 3.1Å; A710-E714 WeakPolarHBondContact O-CB 3.35Å; A710-E714 PolarHBondContact O-N 3.04Å; A710-F722 HydrophobicContact CB-CE2 4.04Å; A710-F722 VanDerWaalsContact O-CE2 3.3Å; A710-F722 WeakPolarHBondContact O-CE2 3.4Å; A710-L756 HydrophobicContact CB-CD1 3.32Å; A710-F759 HydrophobicContact CB-CD1 3.74Å; A710-F759 HydrophobicContact CB-CE1 3.63Å
711K88.2Confident85.7Confident119 Ų11940 Ų4052%0.51722%0.223SC..Hα-helixtrans-67.3-36.4175.3-74.3176.1177.41730112.8L707 A708 Q709 A715 F759L707-K711 HydrophobicContact CD1-CD 4.46Å; L707-K711 HydrophobicContact CD1-CG 4.36Å; L707-K711 HydrophobicContact CG-CD 4.24Å; L707-K711 WeakPolarHBondContact O-CG 3.38Å; L707-K711 PolarHBondContact O-N 3.34Å; A708-K711 PolarHBondContact O-N 2.8Å; Q709-K711 VanDerWaalsContact C-N 3.34Å; Q709-K711 PolarHBondContact O-N 3Å; K711-A715 WeakPolarHBondContact O-CB 3.47Å; K711-A715 PolarHBondContact O-N 3.41Å; K711-A715 VanDerWaalsContact O-N 3.09Å; K711-F759 HydrophobicContact CG-CE2 4.45Å
712E86.8Confident85.8Confident88 Ų8839.9 Ų39.941%0.41122%0.223SC..Hα-helixtrans-65.2-49.9178-164.3-173.3166.200111.4F677 L679 A708 Q709 E714 A715 Y716F677-E712 WeakPolarHBondContact CE1-OE2 3.41Å; L679-E712 HydrophobicContact CB-CG 4.46Å; L679-E712 VanDerWaalsContact CB-OE1 3.26Å; L679-E712 WeakPolarHBondContact CB-OE1 3.48Å; L679-E712 HydrophobicContact CD2-CG 3.87Å; A708-E712 PolarHBondContact O-N 3.01Å; Q709-E712 PolarHBondContact O-N 3.47Å; E712-E714 PolarHBondContact O-N 2.96Å; E712-A715 PolarHBondContact O-N 3.43Å; E712-Y716 PolarHBondContact O-N 2.62Å
713I90Very high85.7Confident0 Ų041.2 Ų41.20%023%0.229CC..Hα-helixtrans-63.4-42.7177-66.8163.1000110.9F635 F677 L679 I703 Q709 A715 Y716 L720 F722F635-I713 HydrophobicContact CZ-CG2 4.43Å; F677-I713 HydrophobicContact CE1-CG1 4.38Å; F677-I713 HydrophobicContact CE2-CD1 4.26Å; F677-I713 HydrophobicContact CZ-CD1 3.77Å; F677-I713 HydrophobicContact CZ-CG1 3.79Å; L679-I713 HydrophobicContact CD1-CG1 4.05Å; I703-I713 HydrophobicContact CD1-CD1 4.19Å; Q709-I713 WeakPolarHBondContact O-CG1 3.29Å; Q709-I713 PolarHBondContact O-N 2.85Å; I713-A715 PolarHBondContact O-N 3.44Å; I713-Y716 PolarHBondContact O-N 2.59Å; I713-L720 HydrophobicContact CG2-CD2 4.13Å; I713-L720 HydrophobicContact CG2-CG 3.91Å; I713-F722 HydrophobicContact CB-CE2 3.68Å; I713-F722 HydrophobicContact CB-CZ 3.93Å; I713-F722 HydrophobicContact CD1-CE2 4.35Å; I713-F722 HydrophobicContact CD1-CZ 3.83Å; I713-F722 HydrophobicContact CG2-CD2 4.43Å; I713-F722 HydrophobicContact CG2-CE2 3.66Å; I713-F722 HydrophobicContact CG2-CZ 3.71Å
714E89.6Confident85.8Confident38 Ų3844.8 Ų44.818%0.17825%0.249CC..Hα-helixtrans-62.5-28.4177.6-170.768.5-163.700112.5A710 E712 K721 F722 S723 F759A710-E714 WeakPolarHBondContact O-CB 3.35Å; A710-E714 PolarHBondContact O-N 3.04Å; E712-E714 PolarHBondContact O-N 2.96Å; E714-K721 WeakPolarHBondContact O-CD 3.43Å; E714-K721 WeakPolarHBondContact O-CE 3.42Å; E714-K721 VanDerWaalsContact O-CG 3.29Å; E714-K721 WeakPolarHBondContact O-CG 3.19Å; E714-K721 WeakPolarHBondContact OE2-CB 3.2Å; E714-F722 HydrophobicContact CB-CD2 4.33Å; E714-F722 WeakPolarHBondContact OE2-CA 3.29Å; E714-F722 VanDerWaalsContact OE2-CB 3.32Å; E714-F722 WeakPolarHBondContact OE2-CB 3.37Å; E714-F722 WeakPolarHBondContact OE2-CD2 3.46Å; E714-F722 PolarHBondContact OE2-N 3Å; E714-S723 WeakPolarHBondContact OE1-CB 3.23Å; E714-S723 PolarHBondContact OE1-OG 3.41Å; E714-S723 PolarHBondContact OE2-N 3.07Å; E714-F759 HydrophobicContact CB-CZ 3.92Å; E714-F759 HydrophobicContact CG-CZ 3.91Å
715A87.6Confident85.9Confident82 Ų8244.8 Ų44.868%0.67825%0.249SC*.Hα-helixtrans-83.8-14.9179.900000113.9K711 E712 I713K711-A715 WeakPolarHBondContact O-CB 3.47Å; K711-A715 PolarHBondContact O-N 3.41Å; K711-A715 VanDerWaalsContact O-N 3.09Å; E712-A715 PolarHBondContact O-N 3.43Å; I713-A715 PolarHBondContact O-N 3.44Å
716Y82.9Confident86.2Confident87 Ų8745.4 Ų45.434%0.34125%0.247SC..Hα-helixtrans-81.8-67.9-166.1-176.5-101.1000115.2N625 L628 L679 I683 E712 I713 L720N625-Y716 PolarHBondContact OD1-OH 2.79Å; L628-Y716 HydrophobicContact CD2-CE1 4.33Å; L679-Y716 HydrophobicContact CD2-CD2 3.68Å; L679-Y716 HydrophobicContact CD2-CG 3.76Å; L679-Y716 HydrophobicContact CG-CD2 4.4Å; L679-Y716 HydrophobicContact CG-CG 4.46Å; I683-Y716 HydrophobicContact CD1-CD1 3.81Å; I683-Y716 HydrophobicContact CD1-CE1 3.36Å; I683-Y716 HydrophobicContact CG1-CD1 4.26Å; I683-Y716 HydrophobicContact CG1-CE1 3.62Å; I683-Y716 HydrophobicContact CG1-CE2 4.48Å; I683-Y716 HydrophobicContact CG2-CE1 4.49Å; E712-Y716 PolarHBondContact O-N 2.62Å; I713-Y716 PolarHBondContact O-N 2.59Å; Y716-L720 HydrophobicContact CD1-CD2 4.21Å
717N80Confident86.7Confident10 Ų1045.5 Ų45.55%0.05325%0.245CC..  trans-141136.5-172.7178.2-78.3000110.7N625 L628 D629 S719 L720 K721N625-N717 PolarHBondContact O-ND2 3.1Å; N625-N717 VanDerWaalsContact O-ND2 3.12Å; N625-N717 PolarHBondContact OD1-ND2 2.83Å; L628-N717 HydrophobicContact CD2-CB 3.83Å; D629-N717 PolarHBondContact OD1-OD1 3.4Å; N717-S719 VanDerWaalsContact C-N 3.27Å; N717-S719 PolarHBondContact O-N 2.84Å; N717-S719 VanDerWaalsContact O-N 3.15Å; N717-S719 PolarHBondContact OD1-N 3.3Å; N717-L720 HydrophobicContact CB-CB 4.33Å; N717-L720 PolarHBondContact O-N 3.05Å; N717-K721 WeakPolarHBondContact O-CG 3.41Å; N717-K721 PolarHBondContact O-N 3.4Å
718D78.8Confident87.1Confident87 Ų8743.8 Ų43.847%0.46524%0.236SC..THydrogen-bonded Turntrans-52-38.1-173-84.4-14000114K721 N724D718-K721 VanDerWaalsContact OD1-CE 3.25Å; D718-K721 WeakPolarHBondContact OD1-CE 3.3Å; D718-K721 IonicContact OD1-NZ 3.56Å; D718-K721 PolarHBondContact OD1-NZ 3.28Å; D718-N724 WeakPolarHBondContact O-CB 3.38Å; D718-N724 PolarHBondContact O-ND2 3.11Å
719S77.3Confident87.6Confident16 Ų1640.4 Ų40.411%0.11221%0.208CC..THydrogen-bonded Turntrans-85.4-24-179.8-68.70000114.7D629 F633 N717 K721D629-S719 WeakPolarHBondContact CA-OG 3.49Å; D629-S719 PolarHBondContact O-OG 3.17Å; D629-S719 WeakPolarHBondContact OD1-CB 3.41Å; D629-S719 PolarHBondContact OD1-N 3.35Å; D629-S719 PolarHBondContact OD1-OG 3.13Å; F633-S719 VanDerWaalsContact CD2-O 3.26Å; F633-S719 WeakPolarHBondContact CD2-O 3.18Å; N717-S719 VanDerWaalsContact C-N 3.27Å; N717-S719 PolarHBondContact O-N 2.84Å; N717-S719 VanDerWaalsContact O-N 3.15Å; N717-S719 PolarHBondContact OD1-N 3.3Å; S719-K721 VanDerWaalsContact C-N 3.35Å
720L86Confident87.9Confident0 Ų039.7 Ų39.70%021%0.205CC..THydrogen-bonded Turntrans-78.4-20.8174.1-16568.5000112.2L628 F633 F635 L679 I683 I686 I713 Y716 N717L628-L720 HydrophobicContact CD2-CB 4.35Å; F633-L720 HydrophobicContact CD1-CD1 3.6Å; F633-L720 HydrophobicContact CD2-CD1 4.28Å; F633-L720 HydrophobicContact CE1-CD1 3.58Å; F633-L720 HydrophobicContact CE2-CD1 4.25Å; F633-L720 HydrophobicContact CG-CD1 3.99Å; F633-L720 HydrophobicContact CZ-CD1 3.93Å; F635-L720 HydrophobicContact CZ-CD1 4.15Å; L679-L720 HydrophobicContact CD1-CD2 4.16Å; I683-L720 HydrophobicContact CD1-CD2 3.66Å; I686-L720 HydrophobicContact CD1-CD1 4.21Å; I713-L720 HydrophobicContact CG2-CD2 4.13Å; I713-L720 HydrophobicContact CG2-CG 3.91Å; Y716-L720 HydrophobicContact CD1-CD2 4.21Å; N717-L720 HydrophobicContact CB-CB 4.33Å; N717-L720 PolarHBondContact O-N 3.05Å
721K88.9Confident88Confident46 Ų4639.9 Ų39.920%0.221%0.206CC..SBendtrans-53.9141.8178.1-57.5-168.6-179.3165.30111.8E714 N717 D718 S719 S723 N724 C725E714-K721 WeakPolarHBondContact O-CD 3.43Å; E714-K721 WeakPolarHBondContact O-CE 3.42Å; E714-K721 VanDerWaalsContact O-CG 3.29Å; E714-K721 WeakPolarHBondContact O-CG 3.19Å; E714-K721 WeakPolarHBondContact OE2-CB 3.2Å; N717-K721 WeakPolarHBondContact O-CG 3.41Å; N717-K721 PolarHBondContact O-N 3.4Å; D718-K721 VanDerWaalsContact OD1-CE 3.25Å; D718-K721 WeakPolarHBondContact OD1-CE 3.3Å; D718-K721 IonicContact OD1-NZ 3.56Å; D718-K721 PolarHBondContact OD1-NZ 3.28Å; S719-K721 VanDerWaalsContact C-N 3.35Å; K721-S723 WeakPolarHBondContact CB-OG 3.37Å; K721-S723 PolarHBondContact O-N 3.26Å; K721-N724 HydrophobicContact CB-CB 4.43Å; K721-N724 CarbonylContact O-C 3.57Å; K721-N724 PolarHBondContact O-N 2.84Å; K721-C725 WeakPolarHBondContact O-CB 3.33Å; K721-C725 PolarHBondContact O-N 3.46Å
722F90.5Very high88Confident0 Ų037.8 Ų37.80%020%0.198CC..THydrogen-bonded Turntrans-61.1-32.9171.1-59.9-68.2000111.4F635 P704 A710 I713 E714 N724 C725 I728 F759 L760 T763 K765F635-F722 HydrophobicContact CB-CE1 4.46Å; F635-F722 AromaticContact CD1-CE1 3.69Å; F635-F722 HydrophobicContact CD1-CE1 3.69Å; F635-F722 HydrophobicContact CD1-CZ 4.49Å; F635-F722 AromaticContact CD2-CD1 3.84Å; F635-F722 HydrophobicContact CD2-CD1 3.84Å; F635-F722 AromaticContact CD2-CE1 3.8Å; F635-F722 HydrophobicContact CD2-CE1 3.8Å; F635-F722 AromaticContact CE1-CE1 3.73Å; F635-F722 HydrophobicContact CE1-CE1 3.73Å; F635-F722 HydrophobicContact CE1-CZ 4.26Å; F635-F722 AromaticContact CE2-CD1 3.94Å; F635-F722 HydrophobicContact CE2-CD1 3.94Å; F635-F722 AromaticContact CE2-CE1 3.85Å; F635-F722 HydrophobicContact CE2-CE1 3.85Å; F635-F722 HydrophobicContact CG-CD1 4.15Å; F635-F722 AromaticContact CG-CE1 3.71Å; F635-F722 HydrophobicContact CG-CE1 3.71Å; F635-F722 HydrophobicContact CZ-CD1 4.33Å; F635-F722 AromaticContact CZ-CE1 3.81Å; F635-F722 HydrophobicContact CZ-CE1 3.81Å; F635-F722 HydrophobicContact CZ-CZ 4.42Å; P704-F722 HydrophobicContact CB-CZ 4.16Å; P704-F722 VanDerWaalsContact CD-CE1 3.46Å; P704-F722 VanDerWaalsContact CD-CZ 3.45Å; P704-F722 HydrophobicContact CG-CE1 3.93Å; P704-F722 HydrophobicContact CG-CE2 4.19Å; P704-F722 HydrophobicContact CG-CZ 3.54Å; A710-F722 HydrophobicContact CB-CE2 4.04Å; A710-F722 VanDerWaalsContact O-CE2 3.3Å; A710-F722 WeakPolarHBondContact O-CE2 3.4Å; I713-F722 HydrophobicContact CB-CE2 3.68Å; I713-F722 HydrophobicContact CB-CZ 3.93Å; I713-F722 HydrophobicContact CD1-CE2 4.35Å; I713-F722 HydrophobicContact CD1-CZ 3.83Å; I713-F722 HydrophobicContact CG2-CD2 4.43Å; I713-F722 HydrophobicContact CG2-CE2 3.66Å; I713-F722 HydrophobicContact CG2-CZ 3.71Å; E714-F722 HydrophobicContact CB-CD2 4.33Å; E714-F722 WeakPolarHBondContact OE2-CA 3.29Å; E714-F722 VanDerWaalsContact OE2-CB 3.32Å; E714-F722 WeakPolarHBondContact OE2-CB 3.37Å; E714-F722 WeakPolarHBondContact OE2-CD2 3.46Å; E714-F722 PolarHBondContact OE2-N 3Å; F722-N724 PolarHBondContact O-N 2.92Å; F722-C725 PolarHBondContact O-SG 2.58Å; F722-I728 HydrophobicContact CB-CD1 3.76Å; F722-I728 HydrophobicContact CD1-CD1 3.81Å; F722-I728 HydrophobicContact CD1-CG1 4.28Å; F722-I728 HydrophobicContact CG-CD1 4.18Å; F722-F759 HydrophobicContact CD2-CE1 4.04Å; F722-L760 HydrophobicContact CB-CD2 4.3Å; F722-L760 HydrophobicContact CD1-CD2 3.97Å; F722-L760 HydrophobicContact CD2-CD2 4.18Å; F722-L760 HydrophobicContact CE1-CD2 4.4Å; F722-L760 HydrophobicContact CG-CD2 3.86Å; F722-T763 HydrophobicContact CB-CG2 3.79Å; F722-K765 WeakPolarHBondContact O-CG 3.03Å
723S86.3Confident87.6Confident42 Ų4236 Ų3629%0.29419%0.191SC..THydrogen-bonded Turntrans-63-26.4174.452.20000114.6E714 K721 K765E714-S723 WeakPolarHBondContact OE1-CB 3.23Å; E714-S723 PolarHBondContact OE1-OG 3.41Å; E714-S723 PolarHBondContact OE2-N 3.07Å; K721-S723 WeakPolarHBondContact CB-OG 3.37Å; K721-S723 PolarHBondContact O-N 3.26Å; S723-K765 WeakPolarHBondContact O-CE 3.11Å
724N88.4Confident86.4Confident78 Ų7842.6 Ų42.642%0.41722%0.22SC..THydrogen-bonded Turntrans-115.9-8.5-175.4-77.4-18.1000114.1D718 K721 F722D718-N724 WeakPolarHBondContact O-CB 3.38Å; D718-N724 PolarHBondContact O-ND2 3.11Å; K721-N724 HydrophobicContact CB-CB 4.43Å; K721-N724 CarbonylContact O-C 3.57Å; K721-N724 PolarHBondContact O-N 2.84Å; F722-N724 PolarHBondContact O-N 2.92Å
725C91.1Very high84.6Confident0 Ų045.7 Ų45.70%023%0.233CC..SBendtrans-58.4163.3174.478.90000111.1F633 F635 K721 F722 I728 K765F633-C725 HydrophobicContact CB-CB 4.22Å; F635-C725 HydrophobicContact CD2-CB 4Å; F635-C725 HydrophobicContact CE2-CB 3.79Å; K721-C725 WeakPolarHBondContact O-CB 3.33Å; K721-C725 PolarHBondContact O-N 3.46Å; F722-C725 PolarHBondContact O-SG 2.58Å; C725-I728 VanDerWaalsContact SG-CG1 3.52Å; C725-K765 WeakPolarHBondContact O-CE 3.16Å; C725-K765 PolarHBondContact O-NZ 3.02Å
726K89.6Confident82.3Confident108 Ų10845.9 Ų45.947%0.4723%0.229SC..SBendtrans-71.1-46.7179.3-175.2158.9-177.4175.60110.9K632 F633 I634 Y657K632-K726 HydrophobicContact CB-CB 4.26Å; K632-K726 HydrophobicContact CB-CD 4.4Å; F633-K726 WeakPolarHBondContact O-CB 3.37Å; F633-K726 PolarHBondContact O-N 3.07Å; I634-K726 HydrophobicContact CG1-CB 4.19Å; Y657-K726 WeakPolarHBondContact OH-CD 3.28Å
727L92.7Very high80.5Confident27 Ų2747.7 Ų47.714%0.14125%0.245CC..EExtended strand (participates in β ladder)trans-161.3147.5-173.8-169.865.6000110.9I634 F635 I729 C767 L785I634-L727 CarbonylContact C-O 3.59Å; I634-L727 VanDerWaalsContact CA-O 3.29Å; I634-L727 WeakPolarHBondContact CA-O 3.31Å; I634-L727 HydrophobicContact CG1-CB 4.35Å; I634-L727 HydrophobicContact CG2-CB 4.42Å; F635-L727 PolarHBondContact N-O 2.9Å; L727-I729 HydrophobicContact CD2-CD1 3.89Å; L727-I729 HydrophobicContact CD2-CG1 3.66Å; L727-I729 HydrophobicContact CG-CG1 3.96Å; L727-C767 HydrophobicContact CD1-CB 3.94Å; L727-L785 HydrophobicContact CD2-CD1 4.27Å; L727-L785 HydrophobicContact CD2-CD2 3.8Å; L727-L785 HydrophobicContact CD2-CG 3.93Å
728I94.3Very high78.4Confident0 Ų054.6 Ų54.60%028%0.277CS..EExtended strand (participates in β ladder)trans-119.1114.2168.7-52.5167.7000106.4F635 I637 F722 C725 L760 K765 I766 C767F635-I728 HydrophobicContact CB-CG1 4.43Å; F635-I728 HydrophobicContact CB-CG2 4.27Å; F635-I728 CarbonylContact O-C 3.51Å; F635-I728 WeakPolarHBondContact O-CA 3.27Å; I637-I728 HydrophobicContact CD1-CG2 4.24Å; I637-I728 HydrophobicContact CG1-CG2 4.45Å; F722-I728 HydrophobicContact CB-CD1 3.76Å; F722-I728 HydrophobicContact CD1-CD1 3.81Å; F722-I728 HydrophobicContact CD1-CG1 4.28Å; F722-I728 HydrophobicContact CG-CD1 4.18Å; C725-I728 VanDerWaalsContact SG-CG1 3.52Å; I728-L760 HydrophobicContact CD1-CD2 4.12Å; I728-L760 HydrophobicContact CG2-CD1 4.41Å; I728-K765 HydrophobicContact CD1-CB 3.86Å; I728-K765 HydrophobicContact CG1-CB 3.99Å; I728-K765 PolarHBondContact N-O 3.46Å; I728-I766 HydrophobicContact CG2-CG1 4.39Å; I728-I766 CarbonylContact O-C 3.43Å; I728-I766 WeakPolarHBondContact O-CA 3.24Å; I728-C767 PolarHBondContact O-N 2.79Å
729I94.3Very high76.3Confident0 Ų056.7 Ų56.70%029%0.288CS..EExtended strand (participates in β ladder)trans-96.5113.5178.5-62.5174.4000107.8I634 F635 V636 I637 I651 L727 L731 C767 I769 L782 L785I634-I729 HydrophobicContact CG2-CD1 4.15Å; F635-I729 PolarHBondContact O-N 3.46Å; V636-I729 WeakPolarHBondContact CA-O 3.42Å; V636-I729 HydrophobicContact CG1-CB 4.32Å; V636-I729 HydrophobicContact CG1-CG2 4.3Å; V636-I729 HydrophobicContact CG2-CB 4.42Å; V636-I729 HydrophobicContact CG2-CD1 4.48Å; I637-I729 PolarHBondContact N-O 3.19Å; I651-I729 HydrophobicContact CD1-CD1 3.53Å; I651-I729 HydrophobicContact CG1-CD1 4.34Å; L727-I729 HydrophobicContact CD2-CD1 3.89Å; L727-I729 HydrophobicContact CD2-CG1 3.66Å; L727-I729 HydrophobicContact CG-CG1 3.96Å; I729-L731 HydrophobicContact CG2-CD2 3.75Å; I729-L731 HydrophobicContact CG2-CG 4.25Å; I729-C767 WeakPolarHBondContact CA-O 3.42Å; I729-I769 HydrophobicContact CG2-CD1 3.53Å; I729-I769 HydrophobicContact CG2-CG1 4.05Å; I729-L782 HydrophobicContact CD1-CD2 4.31Å; I729-L785 HydrophobicContact CD1-CD2 4.1Å; I729-L785 HydrophobicContact CG1-CD2 4.2Å
730L93.1Very high74.3Confident6 Ų664.4 Ų64.43%0.03132%0.322CS..EExtended strand (participates in β ladder)trans-96.8113.1170.617760.8000109I637 E732 I752 I757 I766 C767 R768 I769I637-L730 HydrophobicContact CD1-CD1 4.15Å; I637-L730 HydrophobicContact CG1-CB 4.45Å; I637-L730 HydrophobicContact CG1-CD1 3.95Å; L730-E732 HydrophobicContact CD2-CG 4.49Å; L730-E732 HydrophobicContact CG-CG 4.21Å; L730-I752 HydrophobicContact CD1-CD1 3.62Å; L730-I757 HydrophobicContact CD2-CD1 4.45Å; L730-I757 HydrophobicContact CD2-CG2 4.47Å; L730-I766 HydrophobicContact CB-CD1 4.02Å; L730-I766 HydrophobicContact CB-CG1 4.08Å; L730-I766 HydrophobicContact CD2-CD1 3.9Å; L730-C767 PolarHBondContact N-O 2.79Å; L730-R768 HydrophobicContact CB-CG 4.42Å; L730-R768 HydrophobicContact CD2-CG 4.18Å; L730-R768 WeakPolarHBondContact O-CA 3.5Å; L730-I769 PolarHBondContact O-N 3Å
731L91.5Very high71.7Confident4 Ų469 Ų692%0.02135%0.354CS..EExtended strand (participates in β ladder)trans-86.3114.7177.3-64.4-176000110.1V636 I637 G638 S639 R644 Y647 I729 I769V636-L731 HydrophobicContact CG1-CD1 3.95Å; V636-L731 HydrophobicContact CG1-CG 4.18Å; I637-L731 PolarHBondContact O-N 2.94Å; G638-L731 CarbonylContact C-O 3.58Å; S639-L731 PolarHBondContact N-O 2.84Å; R644-L731 HydrophobicContact CB-CD1 4.02Å; R644-L731 HydrophobicContact CG-CD1 3.88Å; Y647-L731 HydrophobicContact CD1-CD2 3.79Å; Y647-L731 HydrophobicContact CD2-CD1 3.92Å; Y647-L731 HydrophobicContact CD2-CD2 3.95Å; Y647-L731 HydrophobicContact CE1-CD2 4Å; Y647-L731 HydrophobicContact CE2-CD2 4.13Å; Y647-L731 HydrophobicContact CG-CD1 4.04Å; Y647-L731 HydrophobicContact CG-CD2 3.77Å; I729-L731 HydrophobicContact CG2-CD2 3.75Å; I729-L731 HydrophobicContact CG2-CG 4.25Å; L731-I769 HydrophobicContact CD2-CB 4.14Å
732E87.4Confident69.1Low75 Ų7570.3 Ų70.335%0.3538%0.381SS..EExtended strand (participates in β ladder)trans-105.8120.2-178.1-65.8-178.6162.400110.6L730 R768 I769 S770 C771L730-E732 HydrophobicContact CD2-CG 4.49Å; L730-E732 HydrophobicContact CG-CG 4.21Å; E732-R768 WeakPolarHBondContact OE1-CD 3.16Å; E732-R768 WeakPolarHBondContact OE1-CG 2.82Å; E732-R768 IonicContact OE1-NE 2.81Å; E732-R768 PolarHBondContact OE1-NE 3.31Å; E732-I769 PolarHBondContact N-O 2.08Å; E732-S770 WeakPolarHBondContact O-CA 3.4Å; E732-C771 VanDerWaalsContact C-SG 3.59Å; E732-C771 PolarHBondContact O-N 3.48Å; E732-C771 PolarHBondContact O-SG 3.12Å; E732-C771 VanDerWaalsContact O-SG 3.36Å
733D79.7Confident66.4Low50 Ų5077.2 Ų77.227%0.26742%0.418SS..  trans-70131179.3-71.1-29.7000111.4S639 F735S639-D733 VanDerWaalsContact CB-OD1 3.3Å; S639-D733 WeakPolarHBondContact CB-OD1 3.4Å; S639-D733 PolarHBondContact OG-OD1 3.43Å; D733-F735 HydrophobicContact CB-CD2 4.08Å; D733-F735 PolarHBondContact O-N 2.92Å
734K63.5Low63.7Low139 Ų13983.4 Ų83.460%0.60445%0.447SS*.  trans-75.2-4.7172.5-71.6-171.8179.7178.60113.6S736K734-S736 PolarHBondContact O-N 3.48Å
735F52.9Low61.3Low102 Ų10284.8 Ų84.845%0.44746%0.463SS..  trans-81.586.8-172.2-53.5-69.8000110.2I643 D733 K749I643-F735 HydrophobicContact CD1-CE2 4.43Å; D733-F735 HydrophobicContact CB-CD2 4.08Å; D733-F735 PolarHBondContact O-N 2.92Å; F735-K749 PolarHBondContact O-NZ 2.69Å; F735-K749 VanDerWaalsContact O-NZ 3.15Å
736S39.2Very low58.4Low86 Ų8692.9 Ų92.960%0.60150%0.501SS*.  trans-61.1146.2166.752.20000110.2K734 H738K734-S736 PolarHBondContact O-N 3.48Å; S736-H738 PolarHBondContact O-N 2.85Å
737D44Very low55.9Low125 Ų12590.6 Ų90.667%0.66850%0.498SS*.THydrogen-bonded Turntrans-66.927.9-174.3-61.2-40.4000115.1K749D737-K749 IonicContact OD1-NZ 3.69Å; D737-K749 PolarHBondContact OD1-NZ 3.09Å
738H36.3Very low53.3Low156 Ų15696.3 Ų96.372%0.72252%0.524SS*.THydrogen-bonded Turntrans-121.21.3-175.3-73.3-32.9000116.2S736 H740S736-H738 PolarHBondContact O-N 2.85Å; H738-H740 VanDerWaalsContact C-N 3.34Å; H738-H740 PolarHBondContact O-N 3.11Å; H738-H740 VanDerWaalsContact O-N 3.09Å
739D35.2Very low51.1Low131 Ų131100.8 Ų100.870%0.70154%0.543SS*.  trans-85.278.3167.8-78.3-19.1000110.8S741D739-S741 PolarHBondContact O-N 3.26Å
740H34.5Very low49.3Very low177 Ų177104.9 Ų104.982%0.81957%0.565SS**  trans-73.435.1166-74.3-58.1000113.2H738 G742H738-H740 VanDerWaalsContact C-N 3.34Å; H738-H740 PolarHBondContact O-N 3.11Å; H738-H740 VanDerWaalsContact O-N 3.09Å; H740-G742 PolarHBondContact O-N 3.36Å
741S32.1Very low47.9Very low98 Ų98113.1 Ų113.169%0.68560%0.603SS**  trans-80.9105.716555.40000108.2D739 D743D739-S741 PolarHBondContact O-N 3.26Å; S741-D743 PolarHBondContact O-N 2.91Å; S741-D743 VanDerWaalsContact O-N 3.13Å
742G34.3Very low47.2Very low73 Ų73114.5 Ų114.575%0.75361%0.61SS**  trans-57.6112.6-175.900000113.1H740H740-G742 PolarHBondContact O-N 3.36Å
743D33.9Very low46.9Very low145 Ų145115.7 Ų115.778%0.77562%0.616SS**  trans-152.9131.2140.6-94.9-31.3000106.5S741 S745S741-D743 PolarHBondContact O-N 2.91Å; S741-D743 VanDerWaalsContact O-N 3.13Å; D743-S745 PolarHBondContact O-N 3.02Å; D743-S745 PolarHBondContact O-OG 3.48Å
744N30Very low47.2Very low171 Ų171119.2 Ų119.291%0.91463%0.631SS**  trans-66.253.6-174.1-79.4-30.9000113.2Q746N744-Q746 PolarHBondContact O-N 3.37Å; N744-Q746 VanDerWaalsContact O-N 3.17Å
745S37.6Very low48.4Very low108 Ų108115 Ų11576%0.75562%0.618SS**  trans-84.780.1170.751.50000109.1D743 C747D743-S745 PolarHBondContact O-N 3.02Å; D743-S745 PolarHBondContact O-OG 3.48Å; S745-C747 PolarHBondContact O-N 3.38Å
746Q31.3Very low50.3Low169 Ų169110.1 Ų110.179%0.7960%0.597SS**  trans-67.869.7165.1-75.3175.4-18.900109.6N744 H748N744-Q746 PolarHBondContact O-N 3.37Å; N744-Q746 VanDerWaalsContact O-N 3.17Å; Q746-H748 VanDerWaalsContact C-N 3.31Å; Q746-H748 PolarHBondContact O-N 2.92Å
747C36.4Very low52.7Low60 Ų60107 Ų10741%0.40557%0.574SS.*  trans-65.1104.8154.7-118.70000104.3C640 S745 K749C640-C747 HydrophobicContact CB-CB 3.97Å; C640-C747 WeakPolarHBondContact CB-SG 3.38Å; C640-C747 WeakPolarHBondContact SG-CB 3.45Å; C640-C747 CovalentContact SG-SG 2.08Å; C640-C747 PolarHBondContact SG-SG 2.91Å; S745-C747 PolarHBondContact O-N 3.38Å; C747-K749 PolarHBondContact O-N 3.13Å
748H38.4Very low55Low148 Ų148106.9 Ų106.969%0.68557%0.569SS**  trans-54.6107.8168.7-92.457.5000106.8Q746 N750Q746-H748 VanDerWaalsContact C-N 3.31Å; Q746-H748 PolarHBondContact O-N 2.92Å; H748-N750 PolarHBondContact O-N 2.89Å; H748-N750 VanDerWaalsContact O-N 3.12Å
749K47Very low57.8Low94 Ų94101.4 Ų101.441%0.40954%0.543SS..  trans-61.9114.3168.6-75.9-179.2176-179.40105.6F735 D737 C747 E751F735-K749 PolarHBondContact O-NZ 2.69Å; F735-K749 VanDerWaalsContact O-NZ 3.15Å; D737-K749 IonicContact OD1-NZ 3.69Å; D737-K749 PolarHBondContact OD1-NZ 3.09Å; C747-K749 PolarHBondContact O-N 3.13Å; K749-E751 PolarHBondContact O-N 2.65Å
750N56.6Low60.6Low85 Ų8595.2 Ų95.246%0.45551%0.51SS..  trans-71.187.7166.9-76.5-21.5000106.7H748 I752H748-N750 PolarHBondContact O-N 2.89Å; H748-N750 VanDerWaalsContact O-N 3.12Å; N750-I752 PolarHBondContact O-N 2.83Å; N750-I752 VanDerWaalsContact O-N 3.11Å
751E63.6Low63.3Low180 Ų18090.6 Ų90.684%0.84149%0.489SS*.  trans-61.9113.3172.6-75.6-174.8172.500108.5K749K749-E751 PolarHBondContact O-N 2.65Å
752I78.4Confident66.2Low33 Ų3390 Ų9017%0.16948%0.484CS..  trans-84.6129.6174.6-64.6175000107.6I637 L730 N750 E754 L756 I757I637-I752 HydrophobicContact CB-CD1 4.35Å; I637-I752 HydrophobicContact CD1-CD1 4.33Å; I637-I752 HydrophobicContact CG1-CD1 4.43Å; L730-I752 HydrophobicContact CD1-CD1 3.62Å; N750-I752 PolarHBondContact O-N 2.83Å; N750-I752 VanDerWaalsContact O-N 3.11Å; I752-E754 PolarHBondContact O-N 3.17Å; I752-L756 HydrophobicContact CG2-CB 4.09Å; I752-L756 HydrophobicContact CG2-CD2 3.69Å; I752-L756 HydrophobicContact CG2-CG 4.09Å; I752-I757 HydrophobicContact CB-CD1 4.48Å; I752-I757 HydrophobicContact CG2-CD1 4.26Å; I752-I757 HydrophobicContact CG2-CG1 3.78Å
753E79.5Confident68.9Low99 Ų9987.3 Ų87.346%0.46345%0.453SS..  trans-56131.3175.4-62.3177.6160.300111S755 L756 I757E753-S755 PolarHBondContact O-N 2.78Å; E753-S755 VanDerWaalsContact O-N 3.13Å; E753-L756 HydrophobicContact CB-CB 4.37Å; E753-L756 WeakPolarHBondContact O-CA 3.31Å; E753-L756 VanDerWaalsContact O-CB 3.32Å; E753-L756 WeakPolarHBondContact O-CB 3.17Å; E753-L756 PolarHBondContact O-N 2.89Å; E753-I757 PolarHBondContact O-N 2.93Å
754E85.8Confident71.6Confident124 Ų12489.4 Ų89.458%0.57946%0.456SS*.Hα-helixtrans-55.4-36.1177.9-166.265-16000111.8I752 L756 I757 E758I752-E754 PolarHBondContact O-N 3.17Å; E754-L756 VanDerWaalsContact C-N 3.26Å; E754-L756 PolarHBondContact O-N 3.48Å; E754-I757 WeakPolarHBondContact O-CB 3.41Å; E754-I757 PolarHBondContact O-N 3.4Å; E754-I757 VanDerWaalsContact O-N 3.07Å; E754-E758 PolarHBondContact O-N 2.88Å
755S90Very high74.7Confident50 Ų5084.4 Ų84.435%0.3543%0.426SS..Hα-helixtrans-63.7-28.6176.974.80000113.8E753 F759E753-S755 PolarHBondContact O-N 2.78Å; E753-S755 VanDerWaalsContact O-N 3.13Å; S755-F759 WeakPolarHBondContact O-CB 3.33Å; S755-F759 PolarHBondContact O-N 3.12Å
756L91.9Very high77.4Confident0 Ų081 Ų810%040%0.399CS..Hα-helixtrans-72.1-43.2171.8174.758.6000110.3P704 A710 I752 E753 E754 F759 L760P704-L756 HydrophobicContact CB-CD1 4.35Å; P704-L756 HydrophobicContact CB-CD2 4.41Å; P704-L756 HydrophobicContact CG-CD1 3.96Å; P704-L756 HydrophobicContact CG-CD2 4.31Å; A710-L756 HydrophobicContact CB-CD1 3.32Å; I752-L756 HydrophobicContact CG2-CB 4.09Å; I752-L756 HydrophobicContact CG2-CD2 3.69Å; I752-L756 HydrophobicContact CG2-CG 4.09Å; E753-L756 HydrophobicContact CB-CB 4.37Å; E753-L756 WeakPolarHBondContact O-CA 3.31Å; E753-L756 VanDerWaalsContact O-CB 3.32Å; E753-L756 WeakPolarHBondContact O-CB 3.17Å; E753-L756 PolarHBondContact O-N 2.89Å; E754-L756 VanDerWaalsContact C-N 3.26Å; E754-L756 PolarHBondContact O-N 3.48Å; L756-F759 HydrophobicContact CD1-CD1 4.45Å; L756-F759 WeakPolarHBondContact O-CB 3.21Å; L756-F759 PolarHBondContact O-N 2.97Å; L756-L760 HydrophobicContact CD1-CD1 3.93Å; L756-L760 HydrophobicContact CD1-CD2 4.31Å; L756-L760 HydrophobicContact CD1-CG 3.88Å; L756-L760 HydrophobicContact CG-CD1 3.95Å; L756-L760 HydrophobicContact CG-CG 4.31Å; L756-L760 VanDerWaalsContact O-CG 3.31Å; L756-L760 WeakPolarHBondContact O-CG 3.11Å; L756-L760 PolarHBondContact O-N 3.48Å
757I90.8Very high80.3Confident21 Ų2174.4 Ų74.411%0.10837%0.371CS..Hα-helixtrans-60-48.8177.5-60.4178.4000110L730 I752 E753 E754 F759 L760 E761L730-I757 HydrophobicContact CD2-CD1 4.45Å; L730-I757 HydrophobicContact CD2-CG2 4.47Å; I752-I757 HydrophobicContact CB-CD1 4.48Å; I752-I757 HydrophobicContact CG2-CD1 4.26Å; I752-I757 HydrophobicContact CG2-CG1 3.78Å; E753-I757 PolarHBondContact O-N 2.93Å; E754-I757 WeakPolarHBondContact O-CB 3.41Å; E754-I757 PolarHBondContact O-N 3.4Å; E754-I757 VanDerWaalsContact O-N 3.07Å; I757-F759 VanDerWaalsContact C-N 3.28Å; I757-F759 PolarHBondContact O-N 3.06Å; I757-L760 PolarHBondContact O-N 3.3Å; I757-E761 HydrophobicContact CG2-CG 4.31Å; I757-E761 WeakPolarHBondContact O-CB 3.31Å; I757-E761 WeakPolarHBondContact O-CG 3.16Å; I757-E761 PolarHBondContact O-N 3.17Å
758E91.5Very high83Confident122 Ų12276.3 Ų76.357%0.5737%0.37SS*.Hα-helixtrans-56.3-42.2175.9-72-178.5175.700112E754 S762E754-E758 PolarHBondContact O-N 2.88Å; E758-S762 PolarHBondContact O-N 3.02Å; E758-S762 VanDerWaalsContact O-N 3.09Å
759F94.7Very high85.5Confident42 Ų4269.9 Ų69.918%0.18434%0.34CS..Hα-helixtrans-63.3-49.2176172.7-96000111.7L707 A710 K711 E714 F722 S755 L756 I757 E761 S762L707-F759 HydrophobicContact CD1-CB 3.57Å; L707-F759 HydrophobicContact CD1-CD1 4.34Å; L707-F759 HydrophobicContact CD1-CD2 4.21Å; L707-F759 HydrophobicContact CD1-CG 3.78Å; A710-F759 HydrophobicContact CB-CD1 3.74Å; A710-F759 HydrophobicContact CB-CE1 3.63Å; K711-F759 HydrophobicContact CG-CE2 4.45Å; E714-F759 HydrophobicContact CB-CZ 3.92Å; E714-F759 HydrophobicContact CG-CZ 3.91Å; F722-F759 HydrophobicContact CD2-CE1 4.04Å; S755-F759 WeakPolarHBondContact O-CB 3.33Å; S755-F759 PolarHBondContact O-N 3.12Å; L756-F759 HydrophobicContact CD1-CD1 4.45Å; L756-F759 WeakPolarHBondContact O-CB 3.21Å; L756-F759 PolarHBondContact O-N 2.97Å; I757-F759 VanDerWaalsContact C-N 3.28Å; I757-F759 PolarHBondContact O-N 3.06Å; F759-E761 VanDerWaalsContact C-N 3.33Å; F759-E761 PolarHBondContact O-N 2.87Å; F759-S762 WeakPolarHBondContact O-CB 3.27Å; F759-S762 PolarHBondContact O-N 2.65Å; F759-S762 VanDerWaalsContact O-N 3.15Å; F759-S762 PolarHBondContact O-OG 2.98Å
760L93.8Very high87.5Confident0 Ų067.9 Ų67.90%034%0.338CS..Hα-helixtrans-67.6-33.7-179.7-63.5175.9000112I637 P704 F722 I728 L756 I757 S762 T763 I766I637-L760 HydrophobicContact CD1-CD1 3.34Å; P704-L760 HydrophobicContact CG-CD1 4.27Å; P704-L760 HydrophobicContact CG-CD2 4.15Å; F722-L760 HydrophobicContact CB-CD2 4.3Å; F722-L760 HydrophobicContact CD1-CD2 3.97Å; F722-L760 HydrophobicContact CD2-CD2 4.18Å; F722-L760 HydrophobicContact CE1-CD2 4.4Å; F722-L760 HydrophobicContact CG-CD2 3.86Å; I728-L760 HydrophobicContact CD1-CD2 4.12Å; I728-L760 HydrophobicContact CG2-CD1 4.41Å; L756-L760 HydrophobicContact CD1-CD1 3.93Å; L756-L760 HydrophobicContact CD1-CD2 4.31Å; L756-L760 HydrophobicContact CD1-CG 3.88Å; L756-L760 HydrophobicContact CG-CD1 3.95Å; L756-L760 HydrophobicContact CG-CG 4.31Å; L756-L760 VanDerWaalsContact O-CG 3.31Å; L756-L760 WeakPolarHBondContact O-CG 3.11Å; L756-L760 PolarHBondContact O-N 3.48Å; I757-L760 PolarHBondContact O-N 3.3Å; L760-S762 VanDerWaalsContact C-N 3.31Å; L760-S762 PolarHBondContact O-N 2.7Å; L760-T763 WeakPolarHBondContact O-CB 3.29Å; L760-T763 PolarHBondContact O-N 2.77Å; L760-T763 PolarHBondContact O-OG1 2.98Å; L760-I766 HydrophobicContact CB-CD1 4.05Å
761E91.9Very high88.9Confident81 Ų8164.2 Ų64.238%0.37932%0.319SS..Hα-helixtrans-61-39.5170.7-77.7-173.8152.200112.5I757 F759 T763 K764 I766 R768I757-E761 HydrophobicContact CG2-CG 4.31Å; I757-E761 WeakPolarHBondContact O-CB 3.31Å; I757-E761 WeakPolarHBondContact O-CG 3.16Å; I757-E761 PolarHBondContact O-N 3.17Å; F759-E761 VanDerWaalsContact C-N 3.33Å; F759-E761 PolarHBondContact O-N 2.87Å; E761-T763 PolarHBondContact O-N 3.17Å; E761-T763 VanDerWaalsContact O-N 3.1Å; E761-K764 PolarHBondContact O-N 3.08Å; E761-I766 HydrophobicContact CB-CG2 4.41Å; E761-I766 HydrophobicContact CG-CG2 3.9Å; E761-R768 IonicContact OE1-CZ 2.7Å; E761-R768 IonicContact OE1-NH1 3.33Å; E761-R768 PolarHBondContact OE1-NH1 2.88Å; E761-R768 IonicContact OE1-NH2 2.83Å; E761-R768 PolarHBondContact OE1-NH2 2.86Å
762S92.6Very high89.7Confident84 Ų8456.8 Ų56.859%0.58729%0.287SS*.Hα-helixtrans-59.6-24178.384.30000113E758 F759 L760 K764E758-S762 PolarHBondContact O-N 3.02Å; E758-S762 VanDerWaalsContact O-N 3.09Å; F759-S762 WeakPolarHBondContact O-CB 3.27Å; F759-S762 PolarHBondContact O-N 2.65Å; F759-S762 VanDerWaalsContact O-N 3.15Å; F759-S762 PolarHBondContact O-OG 2.98Å; L760-S762 VanDerWaalsContact C-N 3.31Å; L760-S762 PolarHBondContact O-N 2.7Å; S762-K764 VanDerWaalsContact C-N 3.3Å; S762-K764 PolarHBondContact O-N 2.79Å
763T92.1Very high89.6Confident17 Ų1762.7 Ų62.710%0.10431%0.311CS..THydrogen-bonded Turntrans-74.8-17.6177.276.20000113.6F722 L760 E761 K765F722-T763 HydrophobicContact CB-CG2 3.79Å; L760-T763 WeakPolarHBondContact O-CB 3.29Å; L760-T763 PolarHBondContact O-N 2.77Å; L760-T763 PolarHBondContact O-OG1 2.98Å; E761-T763 PolarHBondContact O-N 3.17Å; E761-T763 VanDerWaalsContact O-N 3.1Å; T763-K765 PolarHBondContact O-N 3.09Å; T763-K765 PolarHBondContact OG1-N 3.4Å
764K90.8Very high89.7Confident189 Ų18960.6 Ų60.682%0.82231%0.308SS*.THydrogen-bonded Turntrans58.419.7-173.5-51.9178.6-178176.70114.7E761 S762E761-K764 PolarHBondContact O-N 3.08Å; S762-K764 VanDerWaalsContact C-N 3.3Å; S762-K764 PolarHBondContact O-N 2.79Å
765K93.4Very high89.3Confident67 Ų6759 Ų5929%0.29130%0.3SS..  trans-103.2-6.3175.4-61.8-56.8-174.2133.10114F722 S723 C725 I728 T763F722-K765 WeakPolarHBondContact O-CG 3.03Å; S723-K765 WeakPolarHBondContact O-CE 3.11Å; C725-K765 WeakPolarHBondContact O-CE 3.16Å; C725-K765 PolarHBondContact O-NZ 3.02Å; I728-K765 HydrophobicContact CD1-CB 3.86Å; I728-K765 HydrophobicContact CG1-CB 3.99Å; I728-K765 PolarHBondContact N-O 3.46Å; T763-K765 PolarHBondContact O-N 3.09Å; T763-K765 PolarHBondContact OG1-N 3.4Å
766I94.1Very high88.8Confident35 Ų3562.9 Ų62.918%0.17932%0.317CS..EExtended strand (participates in β ladder)trans-76.7133.4-176.6-161.1171.1000112.1I728 L730 L760 E761I728-I766 HydrophobicContact CG2-CG1 4.39Å; I728-I766 CarbonylContact O-C 3.43Å; I728-I766 WeakPolarHBondContact O-CA 3.24Å; L730-I766 HydrophobicContact CB-CD1 4.02Å; L730-I766 HydrophobicContact CB-CG1 4.08Å; L730-I766 HydrophobicContact CD2-CD1 3.9Å; L760-I766 HydrophobicContact CB-CD1 4.05Å; E761-I766 HydrophobicContact CB-CG2 4.41Å; E761-I766 HydrophobicContact CG-CG2 3.9Å
767C93.4Very high88.4Confident32 Ų3266.7 Ų66.722%0.21634%0.335CS..EExtended strand (participates in β ladder)trans-124.8127.1170-179.10000108.5L727 I728 I729 L730 L785L727-C767 HydrophobicContact CD1-CB 3.94Å; I728-C767 PolarHBondContact O-N 2.79Å; I729-C767 WeakPolarHBondContact CA-O 3.42Å; L730-C767 PolarHBondContact N-O 2.79Å; C767-L785 HydrophobicContact CB-CD1 4.07Å; C767-L785 WeakPolarHBondContact SG-CD1 3.2Å
768R92.5Very high88.2Confident100 Ų10065.7 Ų65.738%0.37733%0.33SS..EExtended strand (participates in β ladder)trans-92129.5177-71.2175165.294.9-0.6110L730 E732 E761L730-R768 HydrophobicContact CB-CG 4.42Å; L730-R768 HydrophobicContact CD2-CG 4.18Å; L730-R768 WeakPolarHBondContact O-CA 3.5Å; E732-R768 WeakPolarHBondContact OE1-CD 3.16Å; E732-R768 WeakPolarHBondContact OE1-CG 2.82Å; E732-R768 IonicContact OE1-NE 2.81Å; E732-R768 PolarHBondContact OE1-NE 3.31Å; E761-R768 IonicContact OE1-CZ 2.7Å; E761-R768 IonicContact OE1-NH1 3.33Å; E761-R768 PolarHBondContact OE1-NH1 2.88Å; E761-R768 IonicContact OE1-NH2 2.83Å; E761-R768 PolarHBondContact OE1-NH2 2.86Å
769I92Very high87.7Confident12 Ų1261.5 Ų61.56%0.06232%0.316CS..EExtended strand (participates in β ladder)trans-123.8123.5174.7-53.4179.9000108.3Y647 I729 L730 L731 E732 C771 Q781 L782 L785Y647-I769 HydrophobicContact CE1-CD1 4.44Å; Y647-I769 HydrophobicContact CE1-CG2 3.75Å; I729-I769 HydrophobicContact CG2-CD1 3.53Å; I729-I769 HydrophobicContact CG2-CG1 4.05Å; L730-I769 PolarHBondContact O-N 3Å; L731-I769 HydrophobicContact CD2-CB 4.14Å; E732-I769 PolarHBondContact N-O 2.08Å; I769-C771 PolarHBondContact O-N 3.07Å; I769-Q781 HydrophobicContact CG2-CB 4.43Å; I769-L782 HydrophobicContact CD1-CD2 3.9Å; I769-L785 HydrophobicContact CD1-CD2 3.61Å; I769-L785 HydrophobicContact CG1-CD2 4.37Å
770S88.5Confident87.2Confident53 Ų5366.3 Ų66.337%0.37133%0.334SS..EExtended strand (participates in β ladder)trans-72.1121.8171-52.20000110.1Y647 E732Y647-S770 PolarHBondContact OH-O 2.9Å; E732-S770 WeakPolarHBondContact O-CA 3.4Å
771C86.3Confident86.9Confident8 Ų868 Ų685%0.05434%0.342CS..  trans-58.4138.6-175.5-63.20000112.3I643 Y647 E732 I769I643-C771 HydrophobicContact CG2-CB 4.04Å; Y647-C771 WeakPolarHBondContact OH-CA 3.37Å; E732-C771 VanDerWaalsContact C-SG 3.59Å; E732-C771 PolarHBondContact O-N 3.48Å; E732-C771 PolarHBondContact O-SG 3.12Å; E732-C771 VanDerWaalsContact O-SG 3.36Å; I769-C771 PolarHBondContact O-N 3.07Å
772S80.5Confident86.8Confident23 Ų2364.2 Ų64.216%0.16132%0.324CS..  trans-125.7150.1168.3-177.30000109.3Y647 S774 I778Y647-S772 PolarHBondContact OH-N 3.29Å; S772-S774 PolarHBondContact OG-N 2.92Å; S772-I778 WeakPolarHBondContact O-CD1 2.96Å
773K75.5Confident86.3Confident157 Ų15764.9 Ų64.968%0.68332%0.318SS*.SBendtrans-93.1-5.9167.4-65.8-172.3176.3-173.10112.4
774S81.2Confident85.8Confident56 Ų5667.6 Ų67.639%0.39233%0.332SS..  trans-85.1115.7179171.30000110.4S772 D776 E777 I778S772-S774 PolarHBondContact OG-N 2.92Å; S774-D776 PolarHBondContact O-N 3.08Å; S774-E777 PolarHBondContact O-N 2.9Å; S774-E777 VanDerWaalsContact O-N 3.11Å; S774-E777 PolarHBondContact OG-N 3.34Å; S774-I778 VanDerWaalsContact O-CG1 3.29Å; S774-I778 WeakPolarHBondContact O-CG1 3.39Å; S774-I778 PolarHBondContact O-N 2.86Å
775E77.8Confident85.6Confident89 Ų8960.9 Ų60.942%0.41631%0.305SS..Hα-helixtrans-56-36.3177.9-72-161.317500112.9L646 H650 I778 A779L646-E775 HydrophobicContact CD1-CG 4.28Å; H650-E775 PolarHBondContact CE1-O 2.71Å; E775-I778 PolarHBondContact O-N 3.19Å; E775-A779 VanDerWaalsContact O-CB 3.23Å; E775-A779 WeakPolarHBondContact O-CB 3.33Å; E775-A779 PolarHBondContact O-N 3.1Å
776D78.6Confident85Confident133 Ų13360.5 Ų60.571%0.71130%0.303SS*.Hα-helixtrans-67.2-40.7178.5-67.4-32.1000111.3S774 A779 Y780S774-D776 PolarHBondContact O-N 3.08Å; D776-A779 PolarHBondContact O-N 2.85Å; D776-Y780 WeakPolarHBondContact O-CB 3.3Å; D776-Y780 PolarHBondContact O-N 3.32Å
777E85.2Confident84.2Confident80 Ų8064.7 Ų64.737%0.37434%0.335SS..Hα-helixtrans-68.8-42.5176.8-178.763.2-157.600110.8S774 A779 Y780 Q781S774-E777 PolarHBondContact O-N 2.9Å; S774-E777 VanDerWaalsContact O-N 3.11Å; S774-E777 PolarHBondContact OG-N 3.34Å; E777-A779 VanDerWaalsContact C-N 3.35Å; E777-Y780 PolarHBondContact O-N 2.7Å; E777-Q781 HydrophobicContact CG-CG 4.44Å; E777-Q781 WeakPolarHBondContact O-CB 3.5Å; E777-Q781 WeakPolarHBondContact O-CG 3.13Å; E777-Q781 PolarHBondContact O-N 3.32Å; E777-Q781 PolarHBondContact OE1-NE2 2.84Å
778I85.9Confident83.8Confident0 Ų066.3 Ų66.30%034%0.341CS..Hα-helixtrans-60-47.7174.8-65.4169.7000110L646 Y647 H650 S772 S774 E775 Y780 Q781 L782L646-I778 HydrophobicContact CD2-CD1 3.31Å; L646-I778 HydrophobicContact CG-CD1 3.61Å; Y647-I778 HydrophobicContact CD1-CG2 3.81Å; Y647-I778 HydrophobicContact CD2-CD1 4.39Å; Y647-I778 HydrophobicContact CD2-CG2 4.47Å; Y647-I778 HydrophobicContact CE1-CB 4.41Å; Y647-I778 HydrophobicContact CE1-CG1 4.22Å; Y647-I778 HydrophobicContact CE1-CG2 3.83Å; Y647-I778 HydrophobicContact CE2-CD1 4.08Å; Y647-I778 HydrophobicContact CE2-CG1 3.92Å; Y647-I778 HydrophobicContact CG-CG2 4.14Å; H650-I778 HydrophobicContact CB-CG2 3.92Å; S772-I778 WeakPolarHBondContact O-CD1 2.96Å; S774-I778 VanDerWaalsContact O-CG1 3.29Å; S774-I778 WeakPolarHBondContact O-CG1 3.39Å; S774-I778 PolarHBondContact O-N 2.86Å; E775-I778 PolarHBondContact O-N 3.19Å; I778-Y780 VanDerWaalsContact C-N 3.33Å; I778-Y780 PolarHBondContact O-N 3.15Å; I778-Q781 PolarHBondContact O-N 3.35Å; I778-L782 HydrophobicContact CG2-CD1 3.73Å; I778-L782 HydrophobicContact CG2-CG 4.38Å; I778-L782 WeakPolarHBondContact O-CB 3.42Å; I778-L782 WeakPolarHBondContact O-CG 3.44Å; I778-L782 PolarHBondContact O-N 3.23Å
779A80.7Confident83.3Confident33 Ų3364.5 Ų64.527%0.27334%0.339SS..Hα-helixtrans-60.4-43.1178.200000111.5E775 D776 E777 H783E775-A779 VanDerWaalsContact O-CB 3.23Å; E775-A779 WeakPolarHBondContact O-CB 3.33Å; E775-A779 PolarHBondContact O-N 3.1Å; D776-A779 PolarHBondContact O-N 2.85Å; E777-A779 VanDerWaalsContact C-N 3.35Å; A779-H783 WeakPolarHBondContact O-CB 3.04Å; A779-H783 PolarHBondContact O-N 2.73Å
780Y84.9Confident82.8Confident144 Ų14467.4 Ų67.457%0.56536%0.355SS*.Hα-helixtrans-64.7-47.5176.8-179.6-104.9000112.6D776 E777 I778 L782 H783 N784D776-Y780 WeakPolarHBondContact O-CB 3.3Å; D776-Y780 PolarHBondContact O-N 3.32Å; E777-Y780 PolarHBondContact O-N 2.7Å; I778-Y780 VanDerWaalsContact C-N 3.33Å; I778-Y780 PolarHBondContact O-N 3.15Å; Y780-L782 PolarHBondContact O-N 3.38Å; Y780-H783 PolarHBondContact O-N 2.81Å; Y780-N784 WeakPolarHBondContact CE1-ND2 3.47Å; Y780-N784 PolarHBondContact O-N 3.13Å; Y780-N784 PolarHBondContact O-ND2 3.17Å; Y780-N784 PolarHBondContact OH-ND2 2.74Å
781Q88Confident82.5Confident35 Ų3568.3 Ų68.316%0.16435%0.354CS..Hα-helixtrans-58.6-47177.2-74.4174.3-1.700111.7Y647 I769 E777 I778 L785Y647-Q781 PolarHBondContact OH-OE1 3.39Å; I769-Q781 HydrophobicContact CG2-CB 4.43Å; E777-Q781 HydrophobicContact CG-CG 4.44Å; E777-Q781 WeakPolarHBondContact O-CB 3.5Å; E777-Q781 WeakPolarHBondContact O-CG 3.13Å; E777-Q781 PolarHBondContact O-N 3.32Å; E777-Q781 PolarHBondContact OE1-NE2 2.84Å; I778-Q781 PolarHBondContact O-N 3.35Å; Q781-L785 WeakPolarHBondContact O-CB 3.45Å; Q781-L785 PolarHBondContact O-N 3.17Å
782L87.9Confident82.2Confident1 Ų172.1 Ų72.11%0.00537%0.373CS..Hα-helixtrans-70.3-41.3179.4-69.9174.4000111.5Y647 H650 I651 I729 I769 I778 Y780 N784 L785 F786Y647-L782 HydrophobicContact CD1-CD1 4.02Å; Y647-L782 HydrophobicContact CD1-CD2 4.1Å; Y647-L782 HydrophobicContact CD1-CG 4.14Å; Y647-L782 HydrophobicContact CE1-CG 4.49Å; H650-L782 HydrophobicContact CB-CD1 3.42Å; H650-L782 VanDerWaalsContact CB-CD1 3.42Å; I651-L782 HydrophobicContact CD1-CD2 4.33Å; I651-L782 HydrophobicContact CG1-CD1 3.81Å; I651-L782 HydrophobicContact CG1-CD2 3.86Å; I651-L782 HydrophobicContact CG1-CG 4.45Å; I729-L782 HydrophobicContact CD1-CD2 4.31Å; I769-L782 HydrophobicContact CD1-CD2 3.9Å; I778-L782 HydrophobicContact CG2-CD1 3.73Å; I778-L782 HydrophobicContact CG2-CG 4.38Å; I778-L782 WeakPolarHBondContact O-CB 3.42Å; I778-L782 WeakPolarHBondContact O-CG 3.44Å; I778-L782 PolarHBondContact O-N 3.23Å; Y780-L782 PolarHBondContact O-N 3.38Å; L782-N784 VanDerWaalsContact C-N 3.32Å; L782-N784 PolarHBondContact O-N 3.15Å; L782-L785 HydrophobicContact CD2-CD2 4.35Å; L782-L785 WeakPolarHBondContact O-CB 3.28Å; L782-L785 PolarHBondContact O-N 2.98Å; L782-F786 HydrophobicContact CB-CD2 4.49Å; L782-F786 HydrophobicContact CD2-CE2 4.36Å; L782-F786 WeakPolarHBondContact O-CD2 3.42Å; L782-F786 PolarHBondContact O-N 3.14Å
783H83Confident82.4Confident99 Ų9975.3 Ų75.346%0.45839%0.387SS..Hα-helixtrans-57-47.1176.5-17667.6000111.5A779 Y780 L785 F786 S787A779-H783 WeakPolarHBondContact O-CB 3.04Å; A779-H783 PolarHBondContact O-N 2.73Å; Y780-H783 PolarHBondContact O-N 2.81Å; H783-L785 PolarHBondContact O-N 3.01Å; H783-F786 PolarHBondContact O-N 3.34Å; H783-S787 WeakPolarHBondContact O-CB 3.4Å; H783-S787 PolarHBondContact O-N 3.04Å; H783-S787 PolarHBondContact O-OG 2.98Å; H783-S787 VanDerWaalsContact O-OG 3.12Å
784N82.2Confident82.9Confident74 Ų7469.5 Ų69.540%0.39637%0.366SS..Hα-helixtrans-62.7-27.1175.8-71.7-20.5000113.8Y780 L782 S787Y780-N784 WeakPolarHBondContact CE1-ND2 3.47Å; Y780-N784 PolarHBondContact O-N 3.13Å; Y780-N784 PolarHBondContact O-ND2 3.17Å; Y780-N784 PolarHBondContact OH-ND2 2.74Å; L782-N784 VanDerWaalsContact C-N 3.32Å; L782-N784 PolarHBondContact O-N 3.15Å; N784-S787 WeakPolarHBondContact CA-OG 3.28Å; N784-S787 PolarHBondContact O-OG 3.09Å
785L86Confident83Confident48 Ų4870.5 Ų70.525%0.25136%0.364SS..Hα-helixtrans-79.7-33178.4-179.558.1000112.4L727 I729 C767 I769 Q781 L782 H783L727-L785 HydrophobicContact CD2-CD1 4.27Å; L727-L785 HydrophobicContact CD2-CD2 3.8Å; L727-L785 HydrophobicContact CD2-CG 3.93Å; I729-L785 HydrophobicContact CD1-CD2 4.1Å; I729-L785 HydrophobicContact CG1-CD2 4.2Å; C767-L785 HydrophobicContact CB-CD1 4.07Å; C767-L785 WeakPolarHBondContact SG-CD1 3.2Å; I769-L785 HydrophobicContact CD1-CD2 3.61Å; I769-L785 HydrophobicContact CG1-CD2 4.37Å; Q781-L785 WeakPolarHBondContact O-CB 3.45Å; Q781-L785 PolarHBondContact O-N 3.17Å; L782-L785 HydrophobicContact CD2-CD2 4.35Å; L782-L785 WeakPolarHBondContact O-CB 3.28Å; L782-L785 PolarHBondContact O-N 2.98Å; H783-L785 PolarHBondContact O-N 3.01Å
786F81.7Confident83.4Confident58 Ų5869 Ų6925%0.25436%0.359SS..Hα-helixtrans-89.3-23.5179.6-79.2-79.3000113.7I634 I651 Q654 L782 H783I634-F786 HydrophobicContact CD1-CE1 3.72Å; I634-F786 HydrophobicContact CD1-CZ 3.79Å; I651-F786 HydrophobicContact CG1-CE2 4.12Å; I651-F786 HydrophobicContact CG1-CZ 4.42Å; I651-F786 HydrophobicContact CG2-CE2 4.01Å; I651-F786 HydrophobicContact CG2-CZ 3.61Å; Q654-F786 HydrophobicContact CB-CD2 4.33Å; Q654-F786 HydrophobicContact CB-CG 4.49Å; L782-F786 HydrophobicContact CB-CD2 4.49Å; L782-F786 HydrophobicContact CD2-CE2 4.36Å; L782-F786 WeakPolarHBondContact O-CD2 3.42Å; L782-F786 PolarHBondContact O-N 3.14Å; H783-F786 PolarHBondContact O-N 3.34Å
787S76.7Confident83.8Confident123 Ų12363.2 Ų63.286%0.8633%0.327SS*.  trans-73.40169.665.60000111.4H783 N784H783-S787 WeakPolarHBondContact O-CB 3.4Å; H783-S787 PolarHBondContact O-N 3.04Å; H783-S787 PolarHBondContact O-OG 2.98Å; H783-S787 VanDerWaalsContact O-OG 3.12Å; N784-S787 WeakPolarHBondContact CA-OG 3.28Å; N784-S787 PolarHBondContact O-OG 3.09Å

Retrieved 787 of 787 residues in 1412.8 ms (Link to these results)

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