A0A061I2T1_CRIGR Loading...

Endophilin-A2

Implicated in endocytosis. May recruit other proteins to membranes with high curvature.

AlphaFold DB , UniProt , Accession A0A061I2T1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Sh3gl1, Length 368 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M52.8Low72.6Confident198 Ų198102.5 Ų102.598%0.97555%0.545SS*.  0130.70-80-144.2-80.600109.3L6M1-L6 HydrophobicContact CB-CD1 4.41Å; M1-L6 HydrophobicContact CE-CD1 3.96Å
2S68.9Low73.4Confident83 Ų8397.3 Ų97.358%0.5851%0.514SS*.  trans-71.5149.9176.4164.20000111.6A4 G5 L6S2-A4 PolarHBondContact O-N 3.48Å; S2-A4 VanDerWaalsContact O-N 3.16Å; S2-A4 PolarHBondContact OG-N 2.86Å; S2-G5 WeakPolarHBondContact O-CA 3.3Å; S2-G5 PolarHBondContact O-N 3.08Å; S2-L6 PolarHBondContact O-N 3.13Å; S2-L6 VanDerWaalsContact O-N 3.16Å
3V69.2Low73.6Confident114 Ų11493.9 Ų93.969%0.69151%0.508SS*.Hα-helixtrans-53-34.4176.1179.10000112L6 K7V3-L6 PolarHBondContact O-N 3.02Å; V3-K7 PolarHBondContact O-N 3.14Å; V3-K7 VanDerWaalsContact O-N 3.17Å
4A67.8Low74.1Confident69 Ų6991.6 Ų91.657%0.5750%0.503SS*.Hα-helixtrans-67.5-36.3175.500000112.7S2 K8S2-A4 PolarHBondContact O-N 3.48Å; S2-A4 VanDerWaalsContact O-N 3.16Å; S2-A4 PolarHBondContact OG-N 2.86Å; A4-K8 PolarHBondContact O-N 2.86Å
5G70.8Confident74.7Confident31 Ų3185.9 Ų85.932%0.3247%0.471SS..Hα-helixtrans-67.6-38.1175.300000112.3S2 K8 Q9S2-G5 WeakPolarHBondContact O-CA 3.3Å; S2-G5 PolarHBondContact O-N 3.08Å; G5-K8 PolarHBondContact O-N 2.91Å; G5-Q9 WeakPolarHBondContact O-CG 3.28Å; G5-Q9 PolarHBondContact O-N 3.3Å; G5-Q9 VanDerWaalsContact O-N 3.13Å
6L73.9Confident74.9Confident105 Ų10584.7 Ų84.755%0.5546%0.463SS..Hα-helixtrans-65.2-45.5177.2-13194.6000111.9M1 S2 V3 K8 Q9 F10M1-L6 HydrophobicContact CB-CD1 4.41Å; M1-L6 HydrophobicContact CE-CD1 3.96Å; S2-L6 PolarHBondContact O-N 3.13Å; S2-L6 VanDerWaalsContact O-N 3.16Å; V3-L6 PolarHBondContact O-N 3.02Å; L6-K8 VanDerWaalsContact C-N 3.29Å; L6-K8 PolarHBondContact O-N 3.16Å; L6-Q9 PolarHBondContact O-N 3.29Å; L6-F10 PolarHBondContact O-N 3.5Å
7K77.4Confident75Confident123 Ų12384.8 Ų84.854%0.53547%0.467SS..Hα-helixtrans-57.6-42.9174.9-82.2-173.3175.9-178.40111.8V3 Q9 F10 Y11V3-K7 PolarHBondContact O-N 3.14Å; V3-K7 VanDerWaalsContact O-N 3.17Å; K7-Q9 PolarHBondContact O-N 3.14Å; K7-F10 WeakPolarHBondContact O-CB 3.3Å; K7-F10 PolarHBondContact O-N 3.23Å; K7-Y11 HydrophobicContact CB-CE2 4.35Å; K7-Y11 WeakPolarHBondContact O-CD1 3.35Å; K7-Y11 WeakPolarHBondContact O-CD2 3.46Å; K7-Y11 VanDerWaalsContact O-CG 3.23Å; K7-Y11 PolarHBondContact O-N 2.68Å
8K77.2Confident75.1Confident64 Ų6482.4 Ų82.428%0.27846%0.457SS..Hα-helixtrans-63.4-40.3179.5-169.1167.1-174.6153.80112.5A4 G5 L6 F10 Y11 K12 D167A4-K8 PolarHBondContact O-N 2.86Å; G5-K8 PolarHBondContact O-N 2.91Å; L6-K8 VanDerWaalsContact C-N 3.29Å; L6-K8 PolarHBondContact O-N 3.16Å; K8-F10 VanDerWaalsContact C-N 3.34Å; K8-Y11 PolarHBondContact O-N 2.82Å; K8-K12 WeakPolarHBondContact O-CG 3.11Å; K8-K12 PolarHBondContact O-N 3.25Å; K8-D167 VanDerWaalsContact CE-CG 3.4Å; K8-D167 WeakPolarHBondContact CE-OD1 3.36Å; K8-D167 WeakPolarHBondContact CE-OD2 3.44Å; K8-D167 IonicContact NZ-OD1 3.59Å; K8-D167 IonicContact NZ-OD2 3.38Å; K8-D167 PolarHBondContact NZ-OD2 3.14Å
9Q78.6Confident75.5Confident111 Ų11179.9 Ų79.952%0.51944%0.442SS..Hα-helixtrans-65.2-39.1174.8-68.1-64.8-15.500111.9G5 L6 K7 Y11 K12 A13G5-Q9 WeakPolarHBondContact O-CG 3.28Å; G5-Q9 PolarHBondContact O-N 3.3Å; G5-Q9 VanDerWaalsContact O-N 3.13Å; L6-Q9 PolarHBondContact O-N 3.29Å; K7-Q9 PolarHBondContact O-N 3.14Å; Q9-Y11 VanDerWaalsContact C-N 3.33Å; Q9-Y11 PolarHBondContact O-N 3.26Å; Q9-K12 PolarHBondContact O-N 3.33Å; Q9-A13 WeakPolarHBondContact O-CB 3.42Å; Q9-A13 PolarHBondContact O-N 3.07Å
10F78.9Confident75.5Confident153 Ų15384.5 Ų84.567%0.67146%0.457SS*.Hα-helixtrans-63.5-38.1176.7-153.7-88.1000112.4L6 K7 K8 A13 S14L6-F10 PolarHBondContact O-N 3.5Å; K7-F10 WeakPolarHBondContact O-CB 3.3Å; K7-F10 PolarHBondContact O-N 3.23Å; K8-F10 VanDerWaalsContact C-N 3.34Å; F10-A13 PolarHBondContact O-N 3.45Å; F10-S14 VanDerWaalsContact O-CB 3.29Å; F10-S14 WeakPolarHBondContact O-CB 3.49Å; F10-S14 PolarHBondContact O-N 3.28Å
11Y83.2Confident74.9Confident77 Ų7786.3 Ų86.330%0.30247%0.47SS..Hα-helixtrans-65.2-44.5176.2-59.6-22.6000112.3K7 K8 Q9 A13 S14 Q15 Y170K7-Y11 HydrophobicContact CB-CE2 4.35Å; K7-Y11 WeakPolarHBondContact O-CD1 3.35Å; K7-Y11 WeakPolarHBondContact O-CD2 3.46Å; K7-Y11 VanDerWaalsContact O-CG 3.23Å; K7-Y11 PolarHBondContact O-N 2.68Å; K8-Y11 PolarHBondContact O-N 2.82Å; Q9-Y11 VanDerWaalsContact C-N 3.33Å; Q9-Y11 PolarHBondContact O-N 3.26Å; Y11-A13 PolarHBondContact O-N 3.31Å; Y11-S14 PolarHBondContact O-N 2.85Å; Y11-Q15 PolarHBondContact O-N 3.24Å; Y11-Y170 AromaticContact CD1-CE1 3.88Å; Y11-Y170 HydrophobicContact CD1-CE1 3.88Å; Y11-Y170 HydrophobicContact CD1-CE2 4.29Å; Y11-Y170 AromaticContact CD1-CZ 3.62Å; Y11-Y170 WeakPolarHBondContact CD1-OH 3.28Å; Y11-Y170 HydrophobicContact CD2-CD1 4.27Å; Y11-Y170 AromaticContact CD2-CE1 3.81Å; Y11-Y170 HydrophobicContact CD2-CE1 3.81Å; Y11-Y170 HydrophobicContact CE1-CE1 4.35Å; Y11-Y170 WeakPolarHBondContact CE1-OH 3.23Å; Y11-Y170 HydrophobicContact CE2-CE1 4.27Å; Y11-Y170 HydrophobicContact CG-CD1 4.08Å; Y11-Y170 AromaticContact CG-CE1 3.6Å; Y11-Y170 HydrophobicContact CG-CE1 3.6Å; Y11-Y170 HydrophobicContact CG-CE2 4.45Å; Y11-Y170 AromaticContact CG-CZ 3.8Å
12K82.6Confident75.5Confident40 Ų4079.7 Ų79.717%0.17445%0.453CS..Hα-helixtrans-60.4-45.6175.4-66.4178.6-175-157.40111.8K8 Q9 Q15 L16 G163 L166K8-K12 WeakPolarHBondContact O-CG 3.11Å; K8-K12 PolarHBondContact O-N 3.25Å; Q9-K12 PolarHBondContact O-N 3.33Å; K12-Q15 PolarHBondContact O-N 2.77Å; K12-L16 WeakPolarHBondContact O-CB 3.44Å; K12-L16 PolarHBondContact O-N 3.48Å; K12-G163 WeakPolarHBondContact CE-O 3.42Å; K12-G163 PolarHBondContact NZ-O 3.46Å; K12-L166 HydrophobicContact CB-CB 4.44Å; K12-L166 HydrophobicContact CG-CB 4.43Å
13A76.4Confident75.3Confident53 Ų5379 Ų7944%0.43846%0.46SS..Hα-helixtrans-62.7-44.3178.100000111.7Q9 F10 Y11 Q15 L16 V17Q9-A13 WeakPolarHBondContact O-CB 3.42Å; Q9-A13 PolarHBondContact O-N 3.07Å; F10-A13 PolarHBondContact O-N 3.45Å; Y11-A13 PolarHBondContact O-N 3.31Å; A13-Q15 PolarHBondContact O-N 3.06Å; A13-L16 PolarHBondContact O-N 3.07Å; A13-V17 VanDerWaalsContact O-CG2 3.32Å; A13-V17 WeakPolarHBondContact O-CG2 3.22Å; A13-V17 PolarHBondContact O-N 2.89Å
14S80.1Confident75.2Confident62 Ų6274.8 Ų74.843%0.43444%0.436SS..Hα-helixtrans-60.5-44.5176.6-178.80000112.1F10 Y11 V17 S18F10-S14 VanDerWaalsContact O-CB 3.29Å; F10-S14 WeakPolarHBondContact O-CB 3.49Å; F10-S14 PolarHBondContact O-N 3.28Å; Y11-S14 PolarHBondContact O-N 2.85Å; S14-V17 PolarHBondContact O-N 3.11Å; S14-S18 WeakPolarHBondContact O-CB 3.43Å; S14-S18 PolarHBondContact O-N 3.15Å
15Q83.8Confident75.3Confident5 Ų578.6 Ų78.62%0.02344%0.442CS..Hα-helixtrans-64.9-45176.6-177.565.715.200111.9Y11 K12 A13 V17 S18 E19 L166 D169 K173Y11-Q15 PolarHBondContact O-N 3.24Å; K12-Q15 PolarHBondContact O-N 2.77Å; A13-Q15 PolarHBondContact O-N 3.06Å; Q15-V17 VanDerWaalsContact C-N 3.31Å; Q15-V17 PolarHBondContact O-N 3.39Å; Q15-S18 CarbonylContact O-C 3.52Å; Q15-S18 WeakPolarHBondContact O-CA 3.22Å; Q15-S18 WeakPolarHBondContact O-CB 3.43Å; Q15-S18 PolarHBondContact O-N 3.13Å; Q15-S18 VanDerWaalsContact O-N 3.08Å; Q15-E19 WeakPolarHBondContact CG-OE1 3.35Å; Q15-E19 PolarHBondContact NE2-OE1 3.47Å; Q15-E19 WeakPolarHBondContact O-CG 3.44Å; Q15-E19 PolarHBondContact O-N 3.33Å; Q15-L166 HydrophobicContact CB-CD2 4.33Å; Q15-L166 HydrophobicContact CG-CB 4.45Å; Q15-L166 HydrophobicContact CG-CD2 3.87Å; Q15-D169 HydrophobicContact CG-CB 4.2Å; Q15-K173 VanDerWaalsContact CD-NZ 3.34Å
16L77.1Confident75.6Confident67 Ų6777.9 Ų77.935%0.35144%0.435SS..Hα-helixtrans-59.6-41.7178.2-172.9153.2000111.8K12 A13 E19 K20 L166K12-L16 WeakPolarHBondContact O-CB 3.44Å; K12-L16 PolarHBondContact O-N 3.48Å; A13-L16 PolarHBondContact O-N 3.07Å; L16-E19 PolarHBondContact O-N 2.92Å; L16-K20 HydrophobicContact CD2-CD 3.9Å; L16-K20 HydrophobicContact CD2-CG 4.36Å; L16-K20 PolarHBondContact O-N 3.23Å; L16-L166 HydrophobicContact CB-CD1 4.19Å; L16-L166 HydrophobicContact CB-CD2 4.21Å; L16-L166 HydrophobicContact CD1-CD1 4.08Å
17V77.4Confident76Confident86 Ų8674.3 Ų74.352%0.52142%0.418SS..Hα-helixtrans-65.7-40.7174.6173.60000111A13 S14 Q15 E19 K20 V21A13-V17 VanDerWaalsContact O-CG2 3.32Å; A13-V17 WeakPolarHBondContact O-CG2 3.22Å; A13-V17 PolarHBondContact O-N 2.89Å; S14-V17 PolarHBondContact O-N 3.11Å; Q15-V17 VanDerWaalsContact C-N 3.31Å; Q15-V17 PolarHBondContact O-N 3.39Å; V17-E19 VanDerWaalsContact C-N 3.3Å; V17-E19 PolarHBondContact O-N 3.35Å; V17-K20 PolarHBondContact O-N 2.96Å; V17-V21 HydrophobicContact CG1-CG2 4.33Å; V17-V21 WeakPolarHBondContact O-CB 3.42Å; V17-V21 PolarHBondContact O-N 3.44Å
18S76.3Confident76.2Confident42 Ų4275.2 Ų75.229%0.29442%0.422SS..Hα-helixtrans-62.8-33.7175.9178.60000113.1S14 Q15 G22 G23 A24 K173S14-S18 WeakPolarHBondContact O-CB 3.43Å; S14-S18 PolarHBondContact O-N 3.15Å; Q15-S18 CarbonylContact O-C 3.52Å; Q15-S18 WeakPolarHBondContact O-CA 3.22Å; Q15-S18 WeakPolarHBondContact O-CB 3.43Å; Q15-S18 PolarHBondContact O-N 3.13Å; Q15-S18 VanDerWaalsContact O-N 3.08Å; S18-G22 CarbonylContact O-C 3.27Å; S18-G22 VanDerWaalsContact O-C 3.22Å; S18-G22 WeakPolarHBondContact O-CA 3.49Å; S18-G22 PolarHBondContact O-N 3.35Å; S18-G22 VanDerWaalsContact O-N 3.07Å; S18-G23 PolarHBondContact O-N 2.54Å; S18-A24 PolarHBondContact O-N 2.77Å; S18-K173 PolarHBondContact OG-NZ 3.36Å
19E82.6Confident76.6Confident35 Ų3573.4 Ų73.416%0.16442%0.415CS..Hα-helixtrans-77.8-44.2177.2-67.4179.7-16400111.4Q15 L16 V17 A24 R165Q15-E19 WeakPolarHBondContact CG-OE1 3.35Å; Q15-E19 PolarHBondContact NE2-OE1 3.47Å; Q15-E19 WeakPolarHBondContact O-CG 3.44Å; Q15-E19 PolarHBondContact O-N 3.33Å; L16-E19 PolarHBondContact O-N 2.92Å; V17-E19 VanDerWaalsContact C-N 3.3Å; V17-E19 PolarHBondContact O-N 3.35Å; E19-A24 WeakPolarHBondContact CA-O 3.38Å; E19-A24 HydrophobicContact CG-CB 4.24Å; E19-A24 WeakPolarHBondContact CG-O 3.43Å; E19-R165 IonicContact OE1-NH1 3.08Å; E19-R165 IonicContact OE2-CZ 3.85Å; E19-R165 IonicContact OE2-NH1 3.13Å; E19-R165 PolarHBondContact OE2-NH1 3.32Å; E19-R165 VanDerWaalsContact OE2-NH1 3.11Å; E19-R165 IonicContact OE2-NH2 3.57Å; E19-R165 PolarHBondContact OE2-NH2 2.94Å
20K74.7Confident77Confident171 Ų17170.8 Ų70.874%0.74341%0.405SS*.Hα-helixtrans-74.1-34.5-178.4-73.4-165.9175.9-171.20114.7L16 V17L16-K20 HydrophobicContact CD2-CD 3.9Å; L16-K20 HydrophobicContact CD2-CG 4.36Å; L16-K20 PolarHBondContact O-N 3.23Å; V17-K20 PolarHBondContact O-N 2.96Å
21V64.6Low77.6Confident123 Ų12369.3 Ų69.375%0.74540%0.403SS*.THydrogen-bonded Turntrans-114.7-29.3-171.7-173.20000111.7V17V17-V21 HydrophobicContact CG1-CG2 4.33Å; V17-V21 WeakPolarHBondContact O-CB 3.42Å; V17-V21 PolarHBondContact O-N 3.44Å
22G63.4Low78.1Confident59 Ų5971 Ų7161%0.60842%0.418SS*.THydrogen-bonded Turntrans-99.42.3-174.400000115.4S18 A24S18-G22 CarbonylContact O-C 3.27Å; S18-G22 VanDerWaalsContact O-C 3.22Å; S18-G22 WeakPolarHBondContact O-CA 3.49Å; S18-G22 PolarHBondContact O-N 3.35Å; S18-G22 VanDerWaalsContact O-N 3.07Å; G22-A24 PolarHBondContact O-N 3.49Å
23G66.3Low78.7Confident70 Ų7069.2 Ų69.272%0.72241%0.41SS*.  trans67.716.5177.200000115.2S18 E25S18-G23 PolarHBondContact O-N 2.54Å; G23-E25 PolarHBondContact O-N 2.84Å
24A66.4Low79.4Confident24 Ų2470.9 Ų70.920%0.19841%0.408CS..  trans-71.7128.2175.200000110.8S18 E19 G22S18-A24 PolarHBondContact O-N 2.77Å; E19-A24 WeakPolarHBondContact CA-O 3.38Å; E19-A24 HydrophobicContact CG-CB 4.24Å; E19-A24 WeakPolarHBondContact CG-O 3.43Å; G22-A24 PolarHBondContact O-N 3.49Å
25E70.8Confident80.2Confident149 Ų14972.7 Ų72.770%0.69641%0.409SS*.  trans-75.3126168.6-69.5-160.2145.500109.7G23 K28G23-E25 PolarHBondContact O-N 2.84Å; E25-K28 VanDerWaalsContact CD-NZ 3.29Å; E25-K28 IonicContact OE1-NZ 3.29Å; E25-K28 PolarHBondContact OE1-NZ 2.7Å; E25-K28 IonicContact OE2-NZ 2.66Å; E25-K28 PolarHBondContact OE2-NZ 3.32Å; E25-K28 VanDerWaalsContact OE2-NZ 3.08Å
26G76.4Confident80.7Confident17 Ų1773.8 Ų73.818%0.17542%0.415CS..  trans-87.2174.2169.500000112.3K28 D169G26-K28 PolarHBondContact O-N 2.95Å; G26-K28 VanDerWaalsContact O-N 3.16Å; G26-D169 VanDerWaalsContact CA-OD2 3.22Å; G26-D169 WeakPolarHBondContact CA-OD2 3.38Å
27T82.3Confident81.6Confident30 Ų3074.3 Ų74.318%0.18442%0.415CS..PPolyproline II helixtrans-59.9120.3178.7-69.80000110.1R165 F168 D169 F190T27-R165 WeakPolarHBondContact O-CD 3.5Å; T27-F168 WeakPolarHBondContact OG1-CE1 3.48Å; T27-D169 VanDerWaalsContact CB-OD1 3.31Å; T27-D169 WeakPolarHBondContact CB-OD1 3.33Å; T27-D169 PolarHBondContact N-OD1 2.89Å; T27-D169 PolarHBondContact N-OD2 2.98Å; T27-D169 PolarHBondContact OG1-OD1 3.4Å; T27-F190 HydrophobicContact CG2-CE1 3.94Å; T27-F190 HydrophobicContact CG2-CZ 3.9Å
28K81.5Confident82.5Confident142 Ų14277.3 Ų77.362%0.61742%0.421SS*.PPolyproline II helixtrans-76.3129.1-178.4-68.4178.5179.6166.90109.4E25 G26E25-K28 VanDerWaalsContact CD-NZ 3.29Å; E25-K28 IonicContact OE1-NZ 3.29Å; E25-K28 PolarHBondContact OE1-NZ 2.7Å; E25-K28 IonicContact OE2-NZ 2.66Å; E25-K28 PolarHBondContact OE2-NZ 3.32Å; E25-K28 VanDerWaalsContact OE2-NZ 3.08Å; G26-K28 PolarHBondContact O-N 2.95Å; G26-K28 VanDerWaalsContact O-N 3.16Å
29L85.1Confident83.4Confident26 Ų2679.9 Ų79.914%0.13643%0.427CS..PPolyproline II helixtrans-77.6148.3162.8-61.9166.2000108.3F33 K34 F190 K194L29-F33 HydrophobicContact CB-CB 4.46Å; L29-F33 HydrophobicContact CB-CD1 4.15Å; L29-F33 HydrophobicContact CB-CG 4.45Å; L29-F33 HydrophobicContact CD1-CD1 3.71Å; L29-F33 HydrophobicContact CD1-CE1 3.69Å; L29-F33 HydrophobicContact CD2-CD1 4.47Å; L29-F33 HydrophobicContact CG-CD1 4.32Å; L29-K34 VanDerWaalsContact O-CE 3.22Å; L29-K34 WeakPolarHBondContact O-CE 3.49Å; L29-K34 PolarHBondContact O-NZ 2.87Å; L29-F190 HydrophobicContact CD2-CE2 4.45Å; L29-F190 HydrophobicContact CD2-CZ 4.08Å; L29-K194 HydrophobicContact CD2-CD 4.26Å; L29-K194 HydrophobicContact CD2-CG 4.26Å
30D88.3Confident84.1Confident56 Ų5678.6 Ų78.630%0.29942%0.421SS..PPolyproline II helixtrans-62.8162.1173.957.290.5000111.3D32 F33 K34 K194D30-D32 VanDerWaalsContact C-N 3.35Å; D30-D32 PolarHBondContact OD1-N 3.35Å; D30-F33 PolarHBondContact O-N 2.95Å; D30-F33 WeakPolarHBondContact OD1-CB 3.31Å; D30-F33 PolarHBondContact OD1-N 2.89Å; D30-K34 PolarHBondContact O-N 3.3Å; D30-K194 VanDerWaalsContact OD2-CE 3.28Å; D30-K194 WeakPolarHBondContact OD2-CE 3.47Å; D30-K194 IonicContact OD2-NZ 3.62Å; D30-K194 PolarHBondContact OD2-NZ 3.22Å
31D91.5Very high85.1Confident121 Ų12174 Ų7465%0.64741%0.405SS*.Hα-helixtrans-73.3-30.1-172.9-66-29.3000112K34 E35D31-K34 PolarHBondContact O-N 3.03Å; D31-K34 IonicContact OD1-NZ 2.86Å; D31-K34 PolarHBondContact OD1-NZ 3.15Å; D31-K34 VanDerWaalsContact OD1-NZ 3.13Å; D31-E35 PolarHBondContact O-N 3.07Å
32D92.4Very high86.6Confident114 Ų11472 Ų7261%0.6139%0.393SS*.Hα-helixtrans-63.5-44.5175.1-61.4-26.2000110.7D30 K34 E35 M36D30-D32 VanDerWaalsContact C-N 3.35Å; D30-D32 PolarHBondContact OD1-N 3.35Å; D32-K34 PolarHBondContact O-N 2.87Å; D32-E35 PolarHBondContact O-N 3.36Å; D32-M36 WeakPolarHBondContact O-CG 3.46Å; D32-M36 PolarHBondContact O-N 3.29Å
33F94.6Very high88.1Confident1 Ų171.1 Ų71.10%0.00438%0.376CS..Hα-helixtrans-58.8-46.1174.7-171.7-77.8000111.9L29 D30 E35 M36 E37 L158 L161 K194 A197 E198 M201L29-F33 HydrophobicContact CB-CB 4.46Å; L29-F33 HydrophobicContact CB-CD1 4.15Å; L29-F33 HydrophobicContact CB-CG 4.45Å; L29-F33 HydrophobicContact CD1-CD1 3.71Å; L29-F33 HydrophobicContact CD1-CE1 3.69Å; L29-F33 HydrophobicContact CD2-CD1 4.47Å; L29-F33 HydrophobicContact CG-CD1 4.32Å; D30-F33 PolarHBondContact O-N 2.95Å; D30-F33 WeakPolarHBondContact OD1-CB 3.31Å; D30-F33 PolarHBondContact OD1-N 2.89Å; F33-E35 VanDerWaalsContact C-N 3.31Å; F33-E35 PolarHBondContact O-N 3.36Å; F33-M36 PolarHBondContact O-N 2.92Å; F33-E37 WeakPolarHBondContact O-CB 3.36Å; F33-E37 PolarHBondContact O-N 3.28Å; F33-L158 HydrophobicContact CE1-CD2 4.08Å; F33-L158 HydrophobicContact CZ-CD2 3.86Å; F33-L161 HydrophobicContact CE1-CD2 4Å; F33-L161 HydrophobicContact CE2-CD2 3.97Å; F33-L161 HydrophobicContact CZ-CD2 3.32Å; F33-K194 HydrophobicContact CD2-CG 4.19Å; F33-K194 HydrophobicContact CE2-CG 3.96Å; F33-A197 HydrophobicContact CE2-CB 4.31Å; F33-A197 HydrophobicContact CZ-CB 4.17Å; F33-E198 HydrophobicContact CD2-CB 4.05Å; F33-E198 HydrophobicContact CD2-CG 4.07Å; F33-E198 HydrophobicContact CE2-CB 3.97Å; F33-E198 HydrophobicContact CE2-CG 4.47Å; F33-M201 HydrophobicContact CD1-CE 4.21Å; F33-M201 HydrophobicContact CD2-CE 3.9Å; F33-M201 HydrophobicContact CE1-CE 3.81Å; F33-M201 HydrophobicContact CE2-CE 3.49Å; F33-M201 VanDerWaalsContact CE2-CE 3.49Å; F33-M201 HydrophobicContact CG-CE 4.25Å; F33-M201 HydrophobicContact CZ-CE 3.42Å; F33-M201 VanDerWaalsContact CZ-CE 3.42Å
34K92.8Very high89.5Confident89 Ų8968.8 Ų68.839%0.38735%0.348SS..Hα-helixtrans-65.8-35.5178.6-68.2179-159.7133.90112L29 D30 D31 D32 K38L29-K34 VanDerWaalsContact O-CE 3.22Å; L29-K34 WeakPolarHBondContact O-CE 3.49Å; L29-K34 PolarHBondContact O-NZ 2.87Å; D30-K34 PolarHBondContact O-N 3.3Å; D31-K34 PolarHBondContact O-N 3.03Å; D31-K34 IonicContact OD1-NZ 2.86Å; D31-K34 PolarHBondContact OD1-NZ 3.15Å; D31-K34 VanDerWaalsContact OD1-NZ 3.13Å; D32-K34 PolarHBondContact O-N 2.87Å; K34-K38 WeakPolarHBondContact O-CB 3.17Å; K34-K38 PolarHBondContact O-N 3.46Å
35E95.4Very high90.9Very high100 Ų10072.8 Ų72.847%0.46736%0.362SS..Hα-helixtrans-64.9-44.9175.2-171-179.3155.700110.9D31 D32 F33 K38 K39D31-E35 PolarHBondContact O-N 3.07Å; D32-E35 PolarHBondContact O-N 3.36Å; F33-E35 VanDerWaalsContact C-N 3.31Å; F33-E35 PolarHBondContact O-N 3.36Å; E35-K38 PolarHBondContact O-N 2.94Å; E35-K39 WeakPolarHBondContact O-CG 3.12Å; E35-K39 PolarHBondContact O-N 3.19Å; E35-K39 WeakPolarHBondContact OE1-CE 3.45Å; E35-K39 IonicContact OE1-NZ 2.68Å; E35-K39 PolarHBondContact OE1-NZ 2.94Å
36M95.7Very high92Very high28 Ų2867.9 Ų67.914%0.13835%0.346CS..Hα-helixtrans-61.1-47.6174.7-72.7-171.1-75.800111.8D32 F33 K38 K39 V40 E198 M201 H202 L205D32-M36 WeakPolarHBondContact O-CG 3.46Å; D32-M36 PolarHBondContact O-N 3.29Å; F33-M36 PolarHBondContact O-N 2.92Å; M36-K38 VanDerWaalsContact C-N 3.28Å; M36-K38 PolarHBondContact O-N 2.9Å; M36-K39 PolarHBondContact O-N 3Å; M36-K39 VanDerWaalsContact O-N 3.12Å; M36-V40 WeakPolarHBondContact O-CG2 3.48Å; M36-V40 PolarHBondContact O-N 3.33Å; M36-E198 HydrophobicContact CE-CG 3.67Å; M36-M201 HydrophobicContact CB-CB 4.31Å; M36-M201 HydrophobicContact CB-CE 4.12Å; M36-M201 HydrophobicContact CB-SD 4.35Å; M36-H202 HydrophobicContact SD-CB 4.24Å; M36-L205 HydrophobicContact CB-CD1 4.09Å; M36-L205 HydrophobicContact CG-CD1 3.95Å
37E95.1Very high92.9Very high77 Ų7767.7 Ų67.736%0.3634%0.342SS..Hα-helixtrans-56.3-44.6176.6-177.7178.8-149.800111.3F33 V40 D41 L158 M201F33-E37 WeakPolarHBondContact O-CB 3.36Å; F33-E37 PolarHBondContact O-N 3.28Å; E37-V40 PolarHBondContact O-N 3.03Å; E37-D41 PolarHBondContact O-N 3.31Å; E37-L158 HydrophobicContact CG-CD1 4.25Å; E37-L158 HydrophobicContact CG-CD2 4.42Å; E37-M201 VanDerWaalsContact CA-SD 3.58Å; E37-M201 HydrophobicContact CB-SD 4.06Å
38K96.3Very high93.5Very high149 Ų14968.5 Ų68.565%0.64835%0.352SS*.Hα-helixtrans-62.8-44.4176.2-177.2-176.4176.4-173.30112K34 E35 M36 D41 V42K34-K38 WeakPolarHBondContact O-CB 3.17Å; K34-K38 PolarHBondContact O-N 3.46Å; E35-K38 PolarHBondContact O-N 2.94Å; M36-K38 VanDerWaalsContact C-N 3.28Å; M36-K38 PolarHBondContact O-N 2.9Å; K38-D41 PolarHBondContact O-N 2.97Å; K38-V42 WeakPolarHBondContact O-CG2 3.48Å; K38-V42 PolarHBondContact O-N 2.96Å
39K96.1Very high94.2Very high97 Ų9768.1 Ų68.142%0.42235%0.352SS..Hα-helixtrans-62.2-44.9178.1-75.5176.9-176.9165.70110.8E35 M36 D41 V42 T43 L205E35-K39 WeakPolarHBondContact O-CG 3.12Å; E35-K39 PolarHBondContact O-N 3.19Å; E35-K39 WeakPolarHBondContact OE1-CE 3.45Å; E35-K39 IonicContact OE1-NZ 2.68Å; E35-K39 PolarHBondContact OE1-NZ 2.94Å; M36-K39 PolarHBondContact O-N 3Å; M36-K39 VanDerWaalsContact O-N 3.12Å; K39-D41 PolarHBondContact O-N 2.73Å; K39-V42 PolarHBondContact O-N 2.99Å; K39-T43 WeakPolarHBondContact O-CB 3.46Å; K39-T43 PolarHBondContact O-N 3.37Å; K39-T43 PolarHBondContact O-OG1 3.36Å; K39-L205 HydrophobicContact CB-CD1 4Å; K39-L205 HydrophobicContact CB-CD2 3.8Å; K39-L205 HydrophobicContact CD-CD1 4.19Å
40V96.2Very high94.8Very high7 Ų769.7 Ų69.74%0.04236%0.363CS..Hα-helixtrans-63.5-41.2177.6174.40000112.2M36 E37 T43 S44 L151 I154 M201 L204 L205M36-V40 WeakPolarHBondContact O-CG2 3.48Å; M36-V40 PolarHBondContact O-N 3.33Å; E37-V40 PolarHBondContact O-N 3.03Å; V40-T43 PolarHBondContact O-N 2.92Å; V40-S44 WeakPolarHBondContact O-CB 3.44Å; V40-S44 PolarHBondContact O-N 2.95Å; V40-L151 HydrophobicContact CG1-CD2 4.1Å; V40-I154 HydrophobicContact CG1-CD1 4.44Å; V40-I154 HydrophobicContact CG1-CG2 3.95Å; V40-M201 HydrophobicContact CG2-CB 3.99Å; V40-M201 HydrophobicContact CG2-CG 3.9Å; V40-M201 HydrophobicContact CG2-SD 4.38Å; V40-L204 HydrophobicContact CG1-CD2 3.95Å; V40-L204 HydrophobicContact CG2-CD2 3.98Å; V40-L205 HydrophobicContact CG2-CD1 4.32Å; V40-L205 HydrophobicContact CG2-CD2 4.25Å; V40-L205 HydrophobicContact CG2-CG 4.19Å
41D95.8Very high95.1Very high74 Ų7467.6 Ų67.640%0.39635%0.351SS..Hα-helixtrans-61.6-43.9175.2176.764.7000112E37 K38 K39 S44 K45E37-D41 PolarHBondContact O-N 3.31Å; K38-D41 PolarHBondContact O-N 2.97Å; K39-D41 PolarHBondContact O-N 2.73Å; D41-S44 PolarHBondContact O-N 2.89Å; D41-K45 WeakPolarHBondContact O-CG 3.5Å; D41-K45 PolarHBondContact O-N 3.46Å; D41-K45 VanDerWaalsContact OD1-CE 3.31Å; D41-K45 WeakPolarHBondContact OD1-CE 3.44Å; D41-K45 IonicContact OD1-NZ 3.33Å; D41-K45 PolarHBondContact OD1-NZ 2.95Å; D41-K45 WeakPolarHBondContact OD2-CE 3.37Å; D41-K45 IonicContact OD2-NZ 2.73Å; D41-K45 PolarHBondContact OD2-NZ 3.45Å
42V96.6Very high95.3Very high82 Ų8265.3 Ų65.350%0.49734%0.342SS..Hα-helixtrans-63.9-45.71761730000110.9K38 K39 S44 K45 A46K38-V42 WeakPolarHBondContact O-CG2 3.48Å; K38-V42 PolarHBondContact O-N 2.96Å; K39-V42 PolarHBondContact O-N 2.99Å; V42-S44 VanDerWaalsContact C-N 3.32Å; V42-S44 PolarHBondContact O-N 3.4Å; V42-K45 PolarHBondContact O-N 3.08Å; V42-A46 VanDerWaalsContact O-CB 3.28Å; V42-A46 WeakPolarHBondContact O-CB 3.44Å; V42-A46 PolarHBondContact O-N 2.96Å
43T94.7Very high95.6Very high40 Ų4068 Ų6825%0.24534%0.343CS..Hα-helixtrans-58.7-45176-61.30000111K39 V40 K45 A46 V47K39-T43 WeakPolarHBondContact O-CB 3.46Å; K39-T43 PolarHBondContact O-N 3.37Å; K39-T43 PolarHBondContact O-OG1 3.36Å; V40-T43 PolarHBondContact O-N 2.92Å; T43-K45 PolarHBondContact O-N 3.37Å; T43-A46 PolarHBondContact O-N 2.77Å; T43-V47 HydrophobicContact CG2-CG2 4.26Å; T43-V47 WeakPolarHBondContact O-CB 3.23Å; T43-V47 VanDerWaalsContact O-CG2 3.28Å; T43-V47 WeakPolarHBondContact O-CG2 3.35Å; T43-V47 PolarHBondContact O-N 3.19Å
44S94.8Very high95.7Very high21 Ų2168.5 Ų68.515%0.14735%0.346CS..Hα-helixtrans-60.2-44.5178.8-1750000112.4V40 D41 V42 A48V40-S44 WeakPolarHBondContact O-CB 3.44Å; V40-S44 PolarHBondContact O-N 2.95Å; D41-S44 PolarHBondContact O-N 2.89Å; V42-S44 VanDerWaalsContact C-N 3.32Å; V42-S44 PolarHBondContact O-N 3.4Å; S44-A48 WeakPolarHBondContact O-CB 3.39Å; S44-A48 PolarHBondContact O-N 2.94Å; S44-A48 VanDerWaalsContact O-N 3.16Å
45K95.9Very high95.9Very high109 Ų10965.1 Ų65.147%0.47433%0.332SS..Hα-helixtrans-66.8-46.6177.4-72.6167.5179.1163.20111.4D41 V42 T43 V47 A48 E49D41-K45 WeakPolarHBondContact O-CG 3.5Å; D41-K45 PolarHBondContact O-N 3.46Å; D41-K45 VanDerWaalsContact OD1-CE 3.31Å; D41-K45 WeakPolarHBondContact OD1-CE 3.44Å; D41-K45 IonicContact OD1-NZ 3.33Å; D41-K45 PolarHBondContact OD1-NZ 2.95Å; D41-K45 WeakPolarHBondContact OD2-CE 3.37Å; D41-K45 IonicContact OD2-NZ 2.73Å; D41-K45 PolarHBondContact OD2-NZ 3.45Å; V42-K45 PolarHBondContact O-N 3.08Å; T43-K45 PolarHBondContact O-N 3.37Å; K45-V47 PolarHBondContact O-N 3.12Å; K45-A48 PolarHBondContact O-N 3.49Å; K45-E49 WeakPolarHBondContact O-CB 3.25Å; K45-E49 WeakPolarHBondContact O-CG 3.49Å; K45-E49 PolarHBondContact O-N 3.39Å
46A95.6Very high95.9Very high46 Ų4663 Ų6338%0.3832%0.323SS..Hα-helixtrans-58.8-48.4179.700000111.4V42 T43 A48 E49 V50V42-A46 VanDerWaalsContact O-CB 3.28Å; V42-A46 WeakPolarHBondContact O-CB 3.44Å; V42-A46 PolarHBondContact O-N 2.96Å; T43-A46 PolarHBondContact O-N 2.77Å; A46-A48 PolarHBondContact O-N 3.37Å; A46-E49 PolarHBondContact O-N 2.72Å; A46-V50 VanDerWaalsContact O-CB 3.27Å; A46-V50 WeakPolarHBondContact O-CB 3.28Å; A46-V50 WeakPolarHBondContact O-CG2 3.45Å; A46-V50 PolarHBondContact O-N 2.83Å
47V94.9Very high96Very high13 Ų1366.9 Ų66.98%0.07934%0.336CS..Hα-helixtrans-61.7-46.6178.91730000111.2T43 K45 E49 L51 L143 L146 C147T43-V47 HydrophobicContact CG2-CG2 4.26Å; T43-V47 WeakPolarHBondContact O-CB 3.23Å; T43-V47 VanDerWaalsContact O-CG2 3.28Å; T43-V47 WeakPolarHBondContact O-CG2 3.35Å; T43-V47 PolarHBondContact O-N 3.19Å; K45-V47 PolarHBondContact O-N 3.12Å; V47-E49 PolarHBondContact O-N 3.42Å; V47-L51 WeakPolarHBondContact O-CB 3.35Å; V47-L51 PolarHBondContact O-N 3.35Å; V47-L143 HydrophobicContact CG1-CB 4.01Å; V47-L143 HydrophobicContact CG1-CD2 3.88Å; V47-L143 HydrophobicContact CG1-CG 4.39Å; V47-L143 HydrophobicContact CG2-CD2 4.23Å; V47-L146 HydrophobicContact CG1-CD2 4.42Å; V47-L146 HydrophobicContact CG2-CD2 4.02Å; V47-C147 WeakPolarHBondContact CG1-SG 3.42Å
48A94.3Very high96Very high47 Ų4763.3 Ų63.339%0.38832%0.32SS..Hα-helixtrans-61.5-45-18000000112.2S44 K45 A46 V52S44-A48 WeakPolarHBondContact O-CB 3.39Å; S44-A48 PolarHBondContact O-N 2.94Å; S44-A48 VanDerWaalsContact O-N 3.16Å; K45-A48 PolarHBondContact O-N 3.49Å; A46-A48 PolarHBondContact O-N 3.37Å; A48-V52 WeakPolarHBondContact O-CG2 3.36Å; A48-V52 PolarHBondContact O-N 3.04Å
49E96.6Very high96Very high134 Ų13456.7 Ų56.763%0.62629%0.291SS*.Hα-helixtrans-68.2-46.8179.2-72.5-177.9-163.900112.1K45 A46 V47 L51 V52 R53K45-E49 WeakPolarHBondContact O-CB 3.25Å; K45-E49 WeakPolarHBondContact O-CG 3.49Å; K45-E49 PolarHBondContact O-N 3.39Å; A46-E49 PolarHBondContact O-N 2.72Å; V47-E49 PolarHBondContact O-N 3.42Å; E49-L51 VanDerWaalsContact C-N 3.29Å; E49-L51 PolarHBondContact O-N 2.83Å; E49-V52 PolarHBondContact O-N 3.33Å; E49-R53 WeakPolarHBondContact O-CB 3.49Å; E49-R53 VanDerWaalsContact O-CG 3.31Å; E49-R53 WeakPolarHBondContact O-CG 3.4Å; E49-R53 PolarHBondContact O-N 2.96Å
50V96.9Very high95.9Very high59 Ų5956.5 Ų56.536%0.35830%0.3SS..Hα-helixtrans-60.5-40.7179169.20000111A46 R53 T54 F139A46-V50 VanDerWaalsContact O-CB 3.27Å; A46-V50 WeakPolarHBondContact O-CB 3.28Å; A46-V50 WeakPolarHBondContact O-CG2 3.45Å; A46-V50 PolarHBondContact O-N 2.83Å; V50-R53 PolarHBondContact O-N 3.42Å; V50-T54 VanDerWaalsContact O-CB 3.31Å; V50-T54 WeakPolarHBondContact O-CB 3.38Å; V50-T54 PolarHBondContact O-N 3.08Å; V50-T54 PolarHBondContact O-OG1 3.46Å; V50-F139 HydrophobicContact CG1-CE1 4.1Å; V50-F139 HydrophobicContact CG1-CZ 3.66Å
51L95.4Very high95.7Very high11 Ų1160.2 Ų60.26%0.05832%0.319CS..Hα-helixtrans-60.3-50.9177.1-173.7153.8000111.1V47 E49 R53 T54 I55 I140 L143 Q144V47-L51 WeakPolarHBondContact O-CB 3.35Å; V47-L51 PolarHBondContact O-N 3.35Å; E49-L51 VanDerWaalsContact C-N 3.29Å; E49-L51 PolarHBondContact O-N 2.83Å; L51-R53 PolarHBondContact O-N 3.29Å; L51-T54 PolarHBondContact O-N 2.88Å; L51-I55 HydrophobicContact CD2-CD1 3.53Å; L51-I55 HydrophobicContact CD2-CG1 4.5Å; L51-I55 HydrophobicContact CG-CD1 4.44Å; L51-I55 WeakPolarHBondContact O-CG1 3.31Å; L51-I55 PolarHBondContact O-N 3.25Å; L51-I140 HydrophobicContact CG-CG2 4.37Å; L51-L143 HydrophobicContact CD1-CB 4.14Å; L51-Q144 HydrophobicContact CD1-CB 4.03Å; L51-Q144 VanDerWaalsContact CD1-OE1 3.32Å
52V95.6Very high95.6Very high74 Ų7461 Ų6145%0.44833%0.329SS..Hα-helixtrans-60.8-47.9179172.40000110.8A48 E49 T54 I55 E56A48-V52 WeakPolarHBondContact O-CG2 3.36Å; A48-V52 PolarHBondContact O-N 3.04Å; E49-V52 PolarHBondContact O-N 3.33Å; V52-T54 VanDerWaalsContact C-N 3.29Å; V52-T54 PolarHBondContact O-N 3.28Å; V52-I55 PolarHBondContact O-N 2.88Å; V52-E56 HydrophobicContact CG1-CG 4.47Å; V52-E56 WeakPolarHBondContact O-CG 3.42Å; V52-E56 PolarHBondContact O-N 3.37Å
53R97.7Very high95.2Very high170 Ų17060.2 Ų60.264%0.64233%0.33SS*.Hα-helixtrans-63.4-34.2179.9-67.1-55.1-172.7-173.12.5112.9E49 V50 L51 E56 Y57E49-R53 WeakPolarHBondContact O-CB 3.49Å; E49-R53 VanDerWaalsContact O-CG 3.31Å; E49-R53 WeakPolarHBondContact O-CG 3.4Å; E49-R53 PolarHBondContact O-N 2.96Å; V50-R53 PolarHBondContact O-N 3.42Å; L51-R53 PolarHBondContact O-N 3.29Å; R53-E56 WeakPolarHBondContact CD-OE2 3.33Å; R53-E56 IonicContact CZ-OE2 2.77Å; R53-E56 IonicContact NE-OE2 3.37Å; R53-E56 IonicContact NH1-OE2 3.68Å; R53-E56 PolarHBondContact NH1-OE2 2.75Å; R53-E56 PolarHBondContact O-N 3.16Å; R53-Y57 VanDerWaalsContact O-CB 3.28Å; R53-Y57 WeakPolarHBondContact O-CB 3.41Å; R53-Y57 PolarHBondContact O-N 2.9Å
54T97.8Very high95Very high12 Ų1258.7 Ų58.77%0.07432%0.322CS..Hα-helixtrans-69.5-40.6177-57.30000111.4V50 L51 V52 Y57 L58 V135 F139 L218V50-T54 VanDerWaalsContact O-CB 3.31Å; V50-T54 WeakPolarHBondContact O-CB 3.38Å; V50-T54 PolarHBondContact O-N 3.08Å; V50-T54 PolarHBondContact O-OG1 3.46Å; L51-T54 PolarHBondContact O-N 2.88Å; V52-T54 VanDerWaalsContact C-N 3.29Å; V52-T54 PolarHBondContact O-N 3.28Å; T54-Y57 WeakPolarHBondContact O-CB 3.49Å; T54-Y57 PolarHBondContact O-N 3.19Å; T54-L58 WeakPolarHBondContact O-CG 3.46Å; T54-L58 PolarHBondContact O-N 2.9Å; T54-V135 HydrophobicContact CG2-CG1 3.74Å; T54-F139 HydrophobicContact CG2-CD1 3.88Å; T54-F139 HydrophobicContact CG2-CE1 3.85Å; T54-F139 WeakPolarHBondContact OG1-CE1 3.49Å; T54-L218 HydrophobicContact CG2-CD1 4.09Å
55I96.1Very high94.9Very high17 Ų1761 Ų619%0.08733%0.327CS..Hα-helixtrans-63.4-42.8174.8-70.4172.7000111L51 V52 Y57 L58 Q59 R65 I140L51-I55 HydrophobicContact CD2-CD1 3.53Å; L51-I55 HydrophobicContact CD2-CG1 4.5Å; L51-I55 HydrophobicContact CG-CD1 4.44Å; L51-I55 WeakPolarHBondContact O-CG1 3.31Å; L51-I55 PolarHBondContact O-N 3.25Å; V52-I55 PolarHBondContact O-N 2.88Å; I55-Y57 VanDerWaalsContact C-N 3.34Å; I55-L58 PolarHBondContact O-N 3.12Å; I55-Q59 PolarHBondContact O-N 3.32Å; I55-R65 HydrophobicContact CG2-CG 3.25Å; I55-I140 HydrophobicContact CD1-CG2 4.23Å; I55-I140 HydrophobicContact CG1-CD1 3.72Å; I55-I140 HydrophobicContact CG1-CG1 4.37Å; I55-I140 HydrophobicContact CG1-CG2 4.46Å
56E96.4Very high94.5Very high57 Ų5758.4 Ų58.427%0.26633%0.326SS..Hα-helixtrans-63.3-38.9174.8-69.6-178.7158.500112.6V52 R53 Q59 P60 R65V52-E56 HydrophobicContact CG1-CG 4.47Å; V52-E56 WeakPolarHBondContact O-CG 3.42Å; V52-E56 PolarHBondContact O-N 3.37Å; R53-E56 WeakPolarHBondContact CD-OE2 3.33Å; R53-E56 IonicContact CZ-OE2 2.77Å; R53-E56 IonicContact NE-OE2 3.37Å; R53-E56 IonicContact NH1-OE2 3.68Å; R53-E56 PolarHBondContact NH1-OE2 2.75Å; R53-E56 PolarHBondContact O-N 3.16Å; E56-Q59 CarbonylContact O-C 3.52Å; E56-Q59 VanDerWaalsContact O-C 3.27Å; E56-P60 WeakPolarHBondContact O-CA 3.38Å; E56-P60 VanDerWaalsContact O-N 3.17Å; E56-R65 IonicContact OE1-NH1 3.27Å
57Y97.2Very high94.1Very high109 Ų10961.1 Ų61.143%0.42733%0.329SS..Hα-helixtrans-62.9-47.3175.6161.5-100.1000111.9R53 T54 I55 Q222R53-Y57 VanDerWaalsContact O-CB 3.28Å; R53-Y57 WeakPolarHBondContact O-CB 3.41Å; R53-Y57 PolarHBondContact O-N 2.9Å; T54-Y57 WeakPolarHBondContact O-CB 3.49Å; T54-Y57 PolarHBondContact O-N 3.19Å; I55-Y57 VanDerWaalsContact C-N 3.34Å; Y57-Q222 VanDerWaalsContact CE1-NE2 3.33Å
58L95.8Very high93.8Very high2 Ų260.5 Ų60.51%0.0133%0.326CS..Hα-helixtrans-66.5-43.3179.4-69.6174.4000111.7T54 I55 L68 K128 L131 V135 I140T54-L58 WeakPolarHBondContact O-CG 3.46Å; T54-L58 PolarHBondContact O-N 2.9Å; I55-L58 PolarHBondContact O-N 3.12Å; L58-L68 HydrophobicContact CB-CD2 3.89Å; L58-L68 HydrophobicContact CD1-CD2 3.9Å; L58-K128 PolarHBondContact O-NZ 3.4Å; L58-L131 HydrophobicContact CD2-CD2 4.1Å; L58-L131 HydrophobicContact CD2-CG 3.99Å; L58-V135 HydrophobicContact CD1-CB 3.87Å; L58-V135 HydrophobicContact CD1-CG1 3.68Å; L58-V135 HydrophobicContact CD2-CB 4.31Å; L58-V135 HydrophobicContact CD2-CG1 4.49Å; L58-V135 HydrophobicContact CD2-CG2 4.3Å; L58-V135 HydrophobicContact CG-CG1 4.44Å; L58-I140 HydrophobicContact CD1-CD1 3.87Å
59Q95.6Very high93.4Very high10 Ų1062 Ų625%0.04733%0.33CS..  trans-134.289.5-176.6-69.7-59.9-36.600111.4I55 E56 N61 R65 L68 Y86 K128 D132I55-Q59 PolarHBondContact O-N 3.32Å; E56-Q59 CarbonylContact O-C 3.52Å; E56-Q59 VanDerWaalsContact O-C 3.27Å; Q59-N61 PolarHBondContact O-N 3.41Å; Q59-R65 HydrophobicContact CB-CB 4.19Å; Q59-R65 PolarHBondContact O-NE 3.32Å; Q59-R65 VanDerWaalsContact O-NE 3.14Å; Q59-L68 HydrophobicContact CB-CD2 4.37Å; Q59-L68 HydrophobicContact CG-CB 4.43Å; Q59-L68 HydrophobicContact CG-CD2 3.93Å; Q59-Y86 HydrophobicContact CG-CE2 4.1Å; Q59-K128 VanDerWaalsContact NE2-NZ 3.17Å; Q59-D132 PolarHBondContact NE2-OD2 2.95Å
60P94.8Very high92.7Very high93 Ų9362.8 Ų62.860%0.60434%0.335SS*.  trans-60.3-36.2173.8-25.835.5000112.1E56 P62 R65E56-P60 WeakPolarHBondContact O-CA 3.38Å; E56-P60 VanDerWaalsContact O-N 3.17Å; P60-P62 WeakPolarHBondContact O-CD 3.12Å; P60-R65 PolarHBondContact O-NH2 2.96Å
61N92.3Very high91.7Very high85 Ų8561 Ų6146%0.45532%0.324SS..SBendtrans-67119.8176.4-178.4-12.5000111.2Q59 A63 S64 R65Q59-N61 PolarHBondContact O-N 3.41Å; N61-A63 VanDerWaalsContact C-N 3.31Å; N61-A63 PolarHBondContact O-N 2.9Å; N61-A63 PolarHBondContact OD1-N 3.13Å; N61-S64 PolarHBondContact O-N 3.44Å; N61-R65 WeakPolarHBondContact O-CB 3.34Å; N61-R65 PolarHBondContact O-N 2.88Å
62P92.6Very high90.3Very high91 Ų9166.1 Ų66.159%0.59135%0.351SS*.Hα-helixtrans-56.7-36.5179.8-25.835000114.8P60 R65 A66P60-P62 WeakPolarHBondContact O-CD 3.12Å; P62-R65 WeakPolarHBondContact O-CB 3.27Å; P62-R65 PolarHBondContact O-N 3.36Å; P62-A66 PolarHBondContact O-N 3.11Å; P62-A66 VanDerWaalsContact O-N 3.09Å
63A88.4Confident88.4Confident64 Ų6464.3 Ų64.353%0.52934%0.34SS..Hα-helixtrans-68.7-44.1-178.200000111.9N61 R65 K67N61-A63 VanDerWaalsContact C-N 3.31Å; N61-A63 PolarHBondContact O-N 2.9Å; N61-A63 PolarHBondContact OD1-N 3.13Å; A63-R65 VanDerWaalsContact C-N 3.33Å; A63-K67 PolarHBondContact O-N 3.36Å
64S90.4Very high85.9Confident9 Ų962 Ų626%0.06334%0.344CS..Hα-helixtrans-67.5-36.2174.4-58.70000111.5N61 A66 K67 L68N61-S64 PolarHBondContact O-N 3.44Å; S64-A66 PolarHBondContact O-N 3.45Å; S64-K67 PolarHBondContact O-N 3.44Å; S64-L68 PolarHBondContact O-N 2.89Å
65R92.4Very high83.5Confident68 Ų6865.4 Ų65.426%0.25737%0.369SS..Hα-helixtrans-58-47176.4-164-172.3-59.3169.74.6112.5I55 E56 Q59 P60 N61 P62 A63 K67 L68 T69I55-R65 HydrophobicContact CG2-CG 3.25Å; E56-R65 IonicContact OE1-NH1 3.27Å; Q59-R65 HydrophobicContact CB-CB 4.19Å; Q59-R65 PolarHBondContact O-NE 3.32Å; Q59-R65 VanDerWaalsContact O-NE 3.14Å; P60-R65 PolarHBondContact O-NH2 2.96Å; N61-R65 WeakPolarHBondContact O-CB 3.34Å; N61-R65 PolarHBondContact O-N 2.88Å; P62-R65 WeakPolarHBondContact O-CB 3.27Å; P62-R65 PolarHBondContact O-N 3.36Å; A63-R65 VanDerWaalsContact C-N 3.33Å; R65-K67 VanDerWaalsContact C-N 3.28Å; R65-K67 PolarHBondContact O-N 3.42Å; R65-L68 WeakPolarHBondContact O-CB 3.46Å; R65-L68 PolarHBondContact O-N 3.49Å; R65-T69 PolarHBondContact O-N 3.47Å; R65-T69 VanDerWaalsContact O-N 3.08Å; R65-T69 PolarHBondContact O-OG1 3.13Å
66A88.3Confident81.4Confident55 Ų5566 Ų6646%0.45537%0.371SS..Hα-helixtrans-58.5-42.5177.400000111.6P62 S64 T69 M70P62-A66 PolarHBondContact O-N 3.11Å; P62-A66 VanDerWaalsContact O-N 3.09Å; S64-A66 PolarHBondContact O-N 3.45Å; A66-T69 PolarHBondContact O-N 2.82Å; A66-M70 WeakPolarHBondContact O-CG 3.41Å; A66-M70 PolarHBondContact O-N 3.23Å
67K87.8Confident79Confident104 Ų10470.5 Ų70.545%0.45240%0.395SS..Hα-helixtrans-68-38.3177.6-69177.2168.7-1710112.9A63 S64 R65 M70 L71 G85 Y86A63-K67 PolarHBondContact O-N 3.36Å; S64-K67 PolarHBondContact O-N 3.44Å; R65-K67 VanDerWaalsContact C-N 3.28Å; R65-K67 PolarHBondContact O-N 3.42Å; K67-M70 CarbonylContact O-C 3.22Å; K67-M70 PolarHBondContact O-N 3.33Å; K67-L71 PolarHBondContact O-N 3.03Å; K67-L71 VanDerWaalsContact O-N 3.1Å; K67-G85 PolarHBondContact NZ-O 3.47Å; K67-Y86 HydrophobicContact CB-CD1 3.54Å; K67-Y86 HydrophobicContact CB-CE1 4.07Å; K67-Y86 HydrophobicContact CB-CG 4.49Å; K67-Y86 HydrophobicContact CD-CD1 4.1Å; K67-Y86 HydrophobicContact CD-CG 4.41Å
68L88.5Confident76.7Confident0 Ų076.6 Ų76.60%042%0.418CS..Hα-helixtrans-59.3-45.9174.4174.861.3000111.2L58 Q59 S64 R65 M70 L71 Y86 D132 K136L58-L68 HydrophobicContact CB-CD2 3.89Å; L58-L68 HydrophobicContact CD1-CD2 3.9Å; Q59-L68 HydrophobicContact CB-CD2 4.37Å; Q59-L68 HydrophobicContact CG-CB 4.43Å; Q59-L68 HydrophobicContact CG-CD2 3.93Å; S64-L68 PolarHBondContact O-N 2.89Å; R65-L68 WeakPolarHBondContact O-CB 3.46Å; R65-L68 PolarHBondContact O-N 3.49Å; L68-M70 VanDerWaalsContact C-N 3.26Å; L68-M70 PolarHBondContact O-N 3.2Å; L68-L71 WeakPolarHBondContact O-CB 3.4Å; L68-L71 PolarHBondContact O-N 3.5Å; L68-L71 VanDerWaalsContact O-N 3.09Å; L68-Y86 HydrophobicContact CB-CE1 4.09Å; L68-D132 HydrophobicContact CD1-CB 4.21Å; L68-K136 HydrophobicContact CD1-CB 4.18Å; L68-K136 HydrophobicContact CD1-CG 4.45Å; L68-K136 VanDerWaalsContact O-CE 3.26Å; L68-K136 WeakPolarHBondContact O-CE 3.45Å
69T86.1Confident74.2Confident78 Ų7879.7 Ų79.748%0.47945%0.45SS..Hα-helixtrans-61.8-36.9176.9-56.40000111.9R65 A66 L71R65-T69 PolarHBondContact O-N 3.47Å; R65-T69 VanDerWaalsContact O-N 3.08Å; R65-T69 PolarHBondContact O-OG1 3.13Å; A66-T69 PolarHBondContact O-N 2.82Å; T69-L71 PolarHBondContact O-N 3.04Å
70M81.1Confident71.7Confident151 Ų15187.8 Ų87.874%0.74449%0.487SS*.THydrogen-bonded Turntrans-79.50.2177.3-65.4-176.577.600114.2A66 K67 L68 N72A66-M70 WeakPolarHBondContact O-CG 3.41Å; A66-M70 PolarHBondContact O-N 3.23Å; K67-M70 CarbonylContact O-C 3.22Å; K67-M70 PolarHBondContact O-N 3.33Å; L68-M70 VanDerWaalsContact C-N 3.26Å; L68-M70 PolarHBondContact O-N 3.2Å; M70-N72 PolarHBondContact O-N 2.77Å
71L76.7Confident69.6Low22 Ų2286.9 Ų86.912%0.11548%0.48CS..  trans-67.7108.1-179-169.769.1000109.9K67 L68 T69 T73 P84 I133 K136K67-L71 PolarHBondContact O-N 3.03Å; K67-L71 VanDerWaalsContact O-N 3.1Å; L68-L71 WeakPolarHBondContact O-CB 3.4Å; L68-L71 PolarHBondContact O-N 3.5Å; L68-L71 VanDerWaalsContact O-N 3.09Å; T69-L71 PolarHBondContact O-N 3.04Å; L71-T73 PolarHBondContact O-N 2.77Å; L71-P84 HydrophobicContact CD1-CB 4.39Å; L71-P84 HydrophobicContact CD2-CB 4.37Å; L71-I133 HydrophobicContact CD2-CG1 4.17Å; L71-K136 HydrophobicContact CD2-CG 4.38Å; L71-K136 PolarHBondContact O-NZ 3.28Å; L71-K136 VanDerWaalsContact O-NZ 3.13Å
72N64.8Low68.1Low118 Ų11891 Ų9163%0.63149%0.494SS*.  trans-77.3104.9177.6-77.4-32.3000110.9M70 V74 S75M70-N72 PolarHBondContact O-N 2.77Å; N72-V74 PolarHBondContact O-N 3.36Å; N72-S75 PolarHBondContact O-N 3.35Å
73T56.2Low67Low36 Ų3690.5 Ų90.522%0.22149%0.487CS..G310 helixtrans-55.6-30175.5-62.80000113.1L71 S75 K76 Q137 D141L71-T73 PolarHBondContact O-N 2.77Å; T73-S75 VanDerWaalsContact C-N 3.34Å; T73-S75 PolarHBondContact O-N 3.45Å; T73-K76 PolarHBondContact O-N 3.15Å; T73-Q137 HydrophobicContact CG2-CB 4.22Å; T73-Q137 HydrophobicContact CG2-CG 3.54Å; T73-D141 WeakPolarHBondContact CB-OD2 3.49Å; T73-D141 PolarHBondContact OG1-OD2 3.29Å
74V45Very low66.2Low120 Ų12087.9 Ų87.973%0.72746%0.464SS*.G310 helixtrans-71.6-23.1-174.5-160.30000113.4N72 K76N72-V74 PolarHBondContact O-N 3.36Å; V74-K76 VanDerWaalsContact C-N 3.3Å; V74-K76 PolarHBondContact O-N 3.06Å
75S48.2Very low65.9Low85 Ų8589.9 Ų89.959%0.59449%0.486SS*.G310 helixtrans-80.3-8.5178.4-63.40000113.8N72 T73N72-S75 PolarHBondContact O-N 3.35Å; T73-S75 VanDerWaalsContact C-N 3.34Å; T73-S75 PolarHBondContact O-N 3.45Å
76K50.8Low65.7Low30 Ų3086.9 Ų86.913%0.1348%0.475CS..SBendtrans-97.8-12-177-65.3-165.7-177.1-162.20115.1T73 V74 R78 G79 V81 I133T73-K76 PolarHBondContact O-N 3.15Å; V74-K76 VanDerWaalsContact C-N 3.3Å; V74-K76 PolarHBondContact O-N 3.06Å; K76-R78 PolarHBondContact O-N 3.49Å; K76-G79 PolarHBondContact O-N 3.34Å; K76-V81 HydrophobicContact CD-CB 4.4Å; K76-V81 WeakPolarHBondContact CD-O 3.38Å; K76-V81 WeakPolarHBondContact CE-O 3.35Å; K76-V81 HydrophobicContact CG-CB 4.19Å; K76-V81 PolarHBondContact NZ-O 2.96Å; K76-I133 HydrophobicContact CD-CG2 4.22Å; K76-I133 VanDerWaalsContact NZ-CG1 3.28Å
77I46.8Very low65.8Low151 Ų15187.9 Ų87.977%0.77448%0.477SS*.THydrogen-bonded Turntrans-59.1-16.1171.8-66172.6000111.7
78R47.5Very low66.2Low237 Ų23783.4 Ų83.489%0.89446%0.457SS*.THydrogen-bonded Turntrans-86.83173.6-118.9-180178.7-171.8-0.9115.7K76K76-R78 PolarHBondContact O-N 3.49Å
79G44.8Very low66.5Low66 Ų6687.5 Ų87.568%0.6849%0.486SS*.SBendtrans8319.9161.700000118.5K76K76-G79 PolarHBondContact O-N 3.34Å
80Q43.4Very low67Low180 Ų18085.2 Ų85.284%0.84147%0.47SS*.  trans-136.25.4-170.5-83.9-173.2-18.300118.9
81V50.6Low67.7Low74 Ų7478.6 Ų78.645%0.44844%0.44SS..  trans-117.284.3-177.7-1660000111.5K76 N83K76-V81 HydrophobicContact CD-CB 4.4Å; K76-V81 WeakPolarHBondContact CD-O 3.38Å; K76-V81 WeakPolarHBondContact CE-O 3.35Å; K76-V81 HydrophobicContact CG-CB 4.19Å; K76-V81 PolarHBondContact NZ-O 2.96Å; V81-N83 VanDerWaalsContact CG1-O 3.23Å; V81-N83 WeakPolarHBondContact CG1-O 3.44Å; V81-N83 PolarHBondContact O-N 3.01Å
82K59.7Low68.7Low171 Ų17181.9 Ų81.974%0.74346%0.458SS*.  trans-70.4-11.6172.9-68.2-171.7176.1-171.10113.9
83N68.7Low70.2Confident82 Ų8280.2 Ų80.244%0.43945%0.448SS..  trans-114.1132.5-173.4-168.8-51000111.2V81 G85V81-N83 VanDerWaalsContact CG1-O 3.23Å; V81-N83 WeakPolarHBondContact CG1-O 3.44Å; V81-N83 PolarHBondContact O-N 3.01Å; N83-G85 VanDerWaalsContact C-N 3.25Å; N83-G85 PolarHBondContact O-N 2.91Å; N83-G85 PolarHBondContact OD1-N 3.35Å
84P73Confident72.2Confident8 Ų878.5 Ų78.55%0.05244%0.438CS..  trans-78.5-0.1-17934.1-37.5000114.3L71 Y86 D129L71-P84 HydrophobicContact CD1-CB 4.39Å; L71-P84 HydrophobicContact CD2-CB 4.37Å; P84-Y86 HydrophobicContact CB-CD1 4.09Å; P84-Y86 HydrophobicContact CB-CE1 3.49Å; P84-Y86 VanDerWaalsContact CB-CE1 3.49Å; P84-Y86 HydrophobicContact CB-CE2 4.24Å; P84-Y86 HydrophobicContact CG-CD1 4.22Å; P84-Y86 HydrophobicContact CG-CD2 4.14Å; P84-Y86 HydrophobicContact CG-CE1 3.82Å; P84-Y86 HydrophobicContact CG-CE2 3.68Å; P84-Y86 HydrophobicContact CG-CG 4.38Å; P84-D129 WeakPolarHBondContact CD-OD1 3.31Å; P84-D129 WeakPolarHBondContact CD-OD2 3.32Å; P84-D129 HydrophobicContact CG-CB 4.43Å; P84-D129 VanDerWaalsContact CG-OD1 3.24Å; P84-D129 WeakPolarHBondContact CG-OD1 3.48Å
85G82.8Confident74.7Confident51 Ų5177.3 Ų77.353%0.52642%0.424SS..SBendtrans8916.2175.700000114.2K67 N83K67-G85 PolarHBondContact NZ-O 3.47Å; N83-G85 VanDerWaalsContact C-N 3.25Å; N83-G85 PolarHBondContact O-N 2.91Å; N83-G85 PolarHBondContact OD1-N 3.35Å
86Y89.1Confident77.1Confident6 Ų675.7 Ų75.72%0.02441%0.412CS..SBendtrans-144.1151.5172.550.8-96.1000109.9Q59 K67 L68 P84 D132Q59-Y86 HydrophobicContact CG-CE2 4.1Å; K67-Y86 HydrophobicContact CB-CD1 3.54Å; K67-Y86 HydrophobicContact CB-CE1 4.07Å; K67-Y86 HydrophobicContact CB-CG 4.49Å; K67-Y86 HydrophobicContact CD-CD1 4.1Å; K67-Y86 HydrophobicContact CD-CG 4.41Å; L68-Y86 HydrophobicContact CB-CE1 4.09Å; P84-Y86 HydrophobicContact CB-CD1 4.09Å; P84-Y86 HydrophobicContact CB-CE1 3.49Å; P84-Y86 VanDerWaalsContact CB-CE1 3.49Å; P84-Y86 HydrophobicContact CB-CE2 4.24Å; P84-Y86 HydrophobicContact CG-CD1 4.22Å; P84-Y86 HydrophobicContact CG-CD2 4.14Å; P84-Y86 HydrophobicContact CG-CE1 3.82Å; P84-Y86 HydrophobicContact CG-CE2 3.68Å; P84-Y86 HydrophobicContact CG-CG 4.38Å; Y86-D132 PolarHBondContact OH-OD2 3.29Å
87P91.4Very high79.3Confident76 Ų7676.5 Ų76.549%0.49442%0.417SS..  trans-75.4140.317930.8-34000111.2L92P87-L92 HydrophobicContact CB-CD1 4.35Å; P87-L92 HydrophobicContact CB-CD2 3.95Å; P87-L92 HydrophobicContact CB-CG 4.09Å; P87-L92 HydrophobicContact CG-CD1 4.47Å; P87-L92 HydrophobicContact CG-CD2 4.48Å
88Q94.7Very high81.8Confident9 Ų970.1 Ų70.14%0.04239%0.385CS..  trans-85.7150.6165.7-56.7-67.7-12.800110.1E90 G91 L92 A125 K128 D129 D132Q88-E90 VanDerWaalsContact C-N 3.27Å; Q88-E90 PolarHBondContact O-N 3Å; Q88-G91 PolarHBondContact O-N 3.21Å; Q88-L92 PolarHBondContact O-N 3.4Å; Q88-A125 HydrophobicContact CB-CB 4.12Å; Q88-K128 HydrophobicContact CB-CG 4.46Å; Q88-K128 HydrophobicContact CG-CB 4.25Å; Q88-K128 HydrophobicContact CG-CG 4.01Å; Q88-D129 WeakPolarHBondContact CG-OD1 3.45Å; Q88-D129 PolarHBondContact NE2-OD1 3.29Å; Q88-D132 PolarHBondContact NE2-OD2 3.33Å
89S95.5Very high84.1Confident86 Ų8664.7 Ų64.760%0.60136%0.364SS*.Hα-helixtrans-59.6-37.7-178.858.90000113.2G91 L92 L93S89-G91 VanDerWaalsContact C-N 3.28Å; S89-G91 PolarHBondContact O-N 2.66Å; S89-L92 PolarHBondContact O-N 3.49Å; S89-L93 PolarHBondContact O-N 3.44Å
90E96.1Very high86.6Confident31 Ų3165.4 Ų65.415%0.14535%0.35CS..Hα-helixtrans-62.3-38.3176.7-63.690.6147.700110.8Q88 G94 M121 L124 A125Q88-E90 VanDerWaalsContact C-N 3.27Å; Q88-E90 PolarHBondContact O-N 3Å; E90-G94 PolarHBondContact O-N 3.36Å; E90-M121 HydrophobicContact CB-CE 3.73Å; E90-M121 HydrophobicContact CG-CE 3.89Å; E90-L124 HydrophobicContact CB-CB 4.32Å; E90-L124 HydrophobicContact CG-CB 4.39Å; E90-A125 HydrophobicContact CB-CB 4.08Å
91G96.3Very high89.1Confident12 Ų1256.9 Ų56.912%0.12431%0.31CS..Hα-helixtrans-67.2-46.8177.800000111.5Q88 S89 L93 G94 E95Q88-G91 PolarHBondContact O-N 3.21Å; S89-G91 VanDerWaalsContact C-N 3.28Å; S89-G91 PolarHBondContact O-N 2.66Å; G91-L93 VanDerWaalsContact C-N 3.34Å; G91-L93 PolarHBondContact O-N 3.21Å; G91-G94 PolarHBondContact O-N 2.86Å; G91-G94 VanDerWaalsContact O-N 3.17Å; G91-E95 WeakPolarHBondContact O-CG 3.28Å; G91-E95 PolarHBondContact O-N 3.31Å
92L96.4Very high91.3Very high91 Ų9160.4 Ų60.448%0.47632%0.32SS..Hα-helixtrans-60.4-43.1176.9-63.8175.1000111.6P87 Q88 S89 E95 C96P87-L92 HydrophobicContact CB-CD1 4.35Å; P87-L92 HydrophobicContact CB-CD2 3.95Å; P87-L92 HydrophobicContact CB-CG 4.09Å; P87-L92 HydrophobicContact CG-CD1 4.47Å; P87-L92 HydrophobicContact CG-CD2 4.48Å; Q88-L92 PolarHBondContact O-N 3.4Å; S89-L92 PolarHBondContact O-N 3.49Å; L92-E95 PolarHBondContact O-N 3.03Å; L92-C96 PolarHBondContact O-N 3.43Å; L92-C96 VanDerWaalsContact O-N 3.09Å
93L97.8Very high93Very high83 Ų8358.8 Ų58.844%0.43532%0.315SS..Hα-helixtrans-61.9-45.6174.5-17857.8000111.3S89 G91 E95 C96 M97 M121S89-L93 PolarHBondContact O-N 3.44Å; G91-L93 VanDerWaalsContact C-N 3.34Å; G91-L93 PolarHBondContact O-N 3.21Å; L93-E95 PolarHBondContact O-N 3.47Å; L93-C96 WeakPolarHBondContact O-CB 3.32Å; L93-C96 PolarHBondContact O-N 3.36Å; L93-M97 HydrophobicContact CD1-CE 3.88Å; L93-M97 HydrophobicContact CD2-CE 4.08Å; L93-M97 HydrophobicContact CG-CE 3.86Å; L93-M97 HydrophobicContact CG-SD 4.38Å; L93-M97 WeakPolarHBondContact O-CG 3.36Å; L93-M97 PolarHBondContact O-N 3.29Å; L93-M121 HydrophobicContact CD2-CE 3.9Å; L93-M121 HydrophobicContact CD2-CG 4.5Å; L93-M121 HydrophobicContact CD2-SD 4.36Å
94G97.8Very high94Very high0 Ų059 Ų590%032%0.315CS..Hα-helixtrans-62.1-40.2178.100000113.3E90 G91 M97 V98 G118E90-G94 PolarHBondContact O-N 3.36Å; G91-G94 PolarHBondContact O-N 2.86Å; G91-G94 VanDerWaalsContact O-N 3.17Å; G94-M97 PolarHBondContact O-N 3.04Å; G94-V98 WeakPolarHBondContact O-CB 3.47Å; G94-V98 VanDerWaalsContact O-CG2 3.28Å; G94-V98 WeakPolarHBondContact O-CG2 3.32Å; G94-V98 PolarHBondContact O-N 3.37Å; G94-G118 WeakPolarHBondContact CA-O 3.49Å
95E97.3Very high94.5Very high95 Ų9560 Ų6044%0.44433%0.328SS..Hα-helixtrans-61.8-43.4173.8-74177.8-174.300112.6G91 L92 L93 V98 R99G91-E95 WeakPolarHBondContact O-CG 3.28Å; G91-E95 PolarHBondContact O-N 3.31Å; L92-E95 PolarHBondContact O-N 3.03Å; L93-E95 PolarHBondContact O-N 3.47Å; E95-V98 PolarHBondContact O-N 3.48Å; E95-R99 WeakPolarHBondContact O-CB 3.44Å; E95-R99 PolarHBondContact O-N 2.92Å
96C98.1Very high94.3Very high51 Ų5160.8 Ų60.835%0.34534%0.335SS..Hα-helixtrans-61.8-47177-174.10000112L92 L93 R99 H100L92-C96 PolarHBondContact O-N 3.43Å; L92-C96 VanDerWaalsContact O-N 3.09Å; L93-C96 WeakPolarHBondContact O-CB 3.32Å; L93-C96 PolarHBondContact O-N 3.36Å; C96-R99 PolarHBondContact O-N 2.87Å; C96-H100 PolarHBondContact O-N 3.45Å; C96-H100 PolarHBondContact O-ND1 2.99Å; C96-H100 VanDerWaalsContact SG-CE1 3.58Å
97M98.2Very high93.8Very high47 Ų4768.9 Ų68.923%0.23237%0.374CS..Hα-helixtrans-61.6-45.4177.4-70.3179.7172.500111.8L93 G94 R99 G101 L114 A117 M121L93-M97 HydrophobicContact CD1-CE 3.88Å; L93-M97 HydrophobicContact CD2-CE 4.08Å; L93-M97 HydrophobicContact CG-CE 3.86Å; L93-M97 HydrophobicContact CG-SD 4.38Å; L93-M97 WeakPolarHBondContact O-CG 3.36Å; L93-M97 PolarHBondContact O-N 3.29Å; G94-M97 PolarHBondContact O-N 3.04Å; M97-R99 PolarHBondContact O-N 3.45Å; M97-G101 PolarHBondContact O-N 3.14Å; M97-L114 HydrophobicContact CB-CD2 4.29Å; M97-L114 HydrophobicContact CG-CD2 4.12Å; M97-A117 HydrophobicContact SD-CB 3.9Å; M97-M121 HydrophobicContact SD-CG 4.08Å
98V97.8Very high93.7Very high17 Ų1767 Ų6710%0.10336%0.362CS..Hα-helixtrans-63.7-41.5179.2170.50000111.5G94 E95 K102 L115G94-V98 WeakPolarHBondContact O-CB 3.47Å; G94-V98 VanDerWaalsContact O-CG2 3.28Å; G94-V98 WeakPolarHBondContact O-CG2 3.32Å; G94-V98 PolarHBondContact O-N 3.37Å; E95-V98 PolarHBondContact O-N 3.48Å; V98-K102 HydrophobicContact CG1-CD 4.4Å; V98-K102 WeakPolarHBondContact O-CG 3.24Å; V98-K102 PolarHBondContact O-N 3Å; V98-K102 VanDerWaalsContact O-N 3.15Å; V98-L115 HydrophobicContact CG1-CD2 4.23Å; V98-L115 WeakPolarHBondContact O-CD2 3.46Å
99R97.3Very high93.5Very high122 Ų12269.4 Ų69.446%0.4638%0.375SS..Hα-helixtrans-59.5-57.2179.7-170.5-170.5-49.7109.34111.1E95 C96 M97 G101 K102 E103E95-R99 WeakPolarHBondContact O-CB 3.44Å; E95-R99 PolarHBondContact O-N 2.92Å; C96-R99 PolarHBondContact O-N 2.87Å; M97-R99 PolarHBondContact O-N 3.45Å; R99-G101 VanDerWaalsContact C-N 3.33Å; R99-G101 PolarHBondContact O-N 3.23Å; R99-K102 PolarHBondContact O-N 3.01Å; R99-E103 PolarHBondContact O-N 2.84Å
100H97.2Very high93.4Very high81 Ų8171.6 Ų71.638%0.37537%0.374SS..Hα-helixtrans-70.3-29.7-178.3-6398.8000112.7C96 K102 E103 L104C96-H100 PolarHBondContact O-N 3.45Å; C96-H100 PolarHBondContact O-ND1 2.99Å; C96-H100 VanDerWaalsContact SG-CE1 3.58Å; H100-K102 VanDerWaalsContact C-N 3.29Å; H100-K102 PolarHBondContact O-N 3.02Å; H100-E103 IonicContact CD2-OE2 3.54Å; H100-E103 PolarHBondContact O-N 3.29Å; H100-L104 WeakPolarHBondContact O-CG 3.44Å; H100-L104 PolarHBondContact O-N 3.39Å
101G96.1Very high93.4Very high1 Ų170.1 Ų70.11%0.0137%0.367CS..Hα-helixtrans-59.8-39.1172.500000112.5M97 R99M97-G101 PolarHBondContact O-N 3.14Å; R99-G101 VanDerWaalsContact C-N 3.33Å; R99-G101 PolarHBondContact O-N 3.23Å
102K95.2Very high93.3Very high148 Ų14871.8 Ų71.864%0.64337%0.373SS*.Hα-helixtrans-70-40.7174.5-69.6177.7-177.71790112.3V98 R99 H100 L104 G105 L115V98-K102 HydrophobicContact CG1-CD 4.4Å; V98-K102 WeakPolarHBondContact O-CG 3.24Å; V98-K102 PolarHBondContact O-N 3Å; V98-K102 VanDerWaalsContact O-N 3.15Å; R99-K102 PolarHBondContact O-N 3.01Å; H100-K102 VanDerWaalsContact C-N 3.29Å; H100-K102 PolarHBondContact O-N 3.02Å; K102-L104 VanDerWaalsContact C-N 3.34Å; K102-L104 PolarHBondContact O-N 2.89Å; K102-G105 PolarHBondContact O-N 3.09Å; K102-G105 VanDerWaalsContact O-N 3.16Å; K102-L115 HydrophobicContact CG-CD2 3.85Å
103E95.4Very high93.3Very high137 Ų13768.3 Ų68.364%0.6436%0.358SS*.Hα-helixtrans-65.6-34.8-179.8-71.3172.7-167.900113R99 H100 G105R99-E103 PolarHBondContact O-N 2.84Å; H100-E103 IonicContact CD2-OE2 3.54Å; H100-E103 PolarHBondContact O-N 3.29Å; E103-G105 PolarHBondContact O-N 3.29Å
104L91.6Very high93.3Very high86 Ų8665.6 Ų65.645%0.4534%0.344SS..THydrogen-bonded Turntrans-65.4-17.6174.7-76168.1000113.6H100 K102 F110 L114H100-L104 WeakPolarHBondContact O-CG 3.44Å; H100-L104 PolarHBondContact O-N 3.39Å; K102-L104 VanDerWaalsContact C-N 3.34Å; K102-L104 PolarHBondContact O-N 2.89Å; L104-F110 HydrophobicContact CD1-CD1 3.57Å; L104-F110 HydrophobicContact CD1-CE1 3.97Å; L104-L114 HydrophobicContact CD1-CD1 3.72Å
105G83.3Confident93.2Very high30 Ų3067.7 Ų67.731%0.30935%0.354SS..  trans76.5151.1179.700000114.1K102 E103 E107 S108K102-G105 PolarHBondContact O-N 3.09Å; K102-G105 VanDerWaalsContact O-N 3.16Å; E103-G105 PolarHBondContact O-N 3.29Å; G105-E107 PolarHBondContact O-N 2.81Å; G105-S108 PolarHBondContact O-N 3.15Å
106G77.9Confident93.2Very high67 Ų6764.3 Ų64.369%0.69134%0.34SS*.THydrogen-bonded Turntrans-68.63.7-17500000115.9
107E78.6Confident93.2Very high177 Ų17762.6 Ų62.683%0.82733%0.329SS*.THydrogen-bonded Turntrans-89.1-15.5170.7-60.3-163.3170.300112.4G105G105-E107 PolarHBondContact O-N 2.81Å
108S89.3Confident93.2Very high35 Ų3560.4 Ų60.425%0.24532%0.318CS..  trans-88116.6-179.8-178.20000111G105 F110 G111 D112G105-S108 PolarHBondContact O-N 3.15Å; S108-F110 PolarHBondContact O-N 2.94Å; S108-F110 VanDerWaalsContact O-N 3.14Å; S108-F110 PolarHBondContact OG-N 3.34Å; S108-G111 PolarHBondContact O-N 3.14Å; S108-G111 PolarHBondContact OG-N 2.94Å; S108-D112 PolarHBondContact O-N 3.05Å; S108-D112 VanDerWaalsContact O-N 3.11Å
109N90.6Very high93.3Very high61 Ų6164.2 Ų64.233%0.32634%0.335SS..Hα-helixtrans-56.4-30.8171.8-71.6-71000112.3A113N109-A113 WeakPolarHBondContact O-CB 3.39Å; N109-A113 PolarHBondContact O-N 3.18Å
110F94.1Very high93.3Very high131 Ų13158.4 Ų58.458%0.57531%0.313SS*.Hα-helixtrans-74.5-38.3176.5-179.8-124.3000111.7L104 S108 A113 L114L104-F110 HydrophobicContact CD1-CD1 3.57Å; L104-F110 HydrophobicContact CD1-CE1 3.97Å; S108-F110 PolarHBondContact O-N 2.94Å; S108-F110 VanDerWaalsContact O-N 3.14Å; S108-F110 PolarHBondContact OG-N 3.34Å; F110-A113 PolarHBondContact O-N 3.22Å; F110-L114 HydrophobicContact CD1-CD1 4.03Å; F110-L114 HydrophobicContact CD2-CG 4.37Å; F110-L114 HydrophobicContact CE1-CD1 3.58Å; F110-L114 HydrophobicContact CE1-CG 4.28Å; F110-L114 HydrophobicContact CE2-CD1 4.17Å; F110-L114 HydrophobicContact CE2-CD2 4.21Å; F110-L114 HydrophobicContact CE2-CG 3.96Å; F110-L114 HydrophobicContact CG-CD1 4.5Å; F110-L114 HydrophobicContact CZ-CD1 3.66Å; F110-L114 HydrophobicContact CZ-CD2 4.08Å; F110-L114 HydrophobicContact CZ-CG 3.91Å; F110-L114 WeakPolarHBondContact O-CG 3.29Å; F110-L114 PolarHBondContact O-N 3.26Å
111G95.2Very high93.4Very high0 Ų056 Ų560%030%0.303CS..Hα-helixtrans-58-51.9174.600000111.4S108 A113 L114 L115S108-G111 PolarHBondContact O-N 3.14Å; S108-G111 PolarHBondContact OG-N 2.94Å; G111-A113 VanDerWaalsContact C-N 3.32Å; G111-A113 PolarHBondContact O-N 3.07Å; G111-L114 WeakPolarHBondContact O-CB 3.47Å; G111-L114 PolarHBondContact O-N 3.06Å; G111-L114 VanDerWaalsContact O-N 3.17Å; G111-L115 WeakPolarHBondContact O-CG 3.32Å; G111-L115 PolarHBondContact O-N 3.06Å
112D94.3Very high93.4Very high47 Ų4759.6 Ų59.625%0.25132%0.318SS..Hα-helixtrans-63.6-35.1176.8-69.6-15000113.4S108 L114 L115 D116 R243S108-D112 PolarHBondContact O-N 3.05Å; S108-D112 VanDerWaalsContact O-N 3.11Å; D112-L114 VanDerWaalsContact C-N 3.34Å; D112-L115 PolarHBondContact O-N 3.14Å; D112-D116 PolarHBondContact O-N 3.28Å; D112-R243 IonicContact OD2-NH1 2.83Å; D112-R243 PolarHBondContact OD2-NH1 3.43Å
113A96.3Very high93.5Very high18 Ų1856.5 Ų56.515%0.14930%0.302CS..Hα-helixtrans-64.8-39.6175.200000111.6N109 F110 G111 L115 D116 A117 L240N109-A113 WeakPolarHBondContact O-CB 3.39Å; N109-A113 PolarHBondContact O-N 3.18Å; F110-A113 PolarHBondContact O-N 3.22Å; G111-A113 VanDerWaalsContact C-N 3.32Å; G111-A113 PolarHBondContact O-N 3.07Å; A113-L115 VanDerWaalsContact C-N 3.32Å; A113-D116 PolarHBondContact O-N 2.95Å; A113-A117 WeakPolarHBondContact O-CB 3.41Å; A113-A117 PolarHBondContact O-N 3.17Å; A113-L240 HydrophobicContact CB-CD2 4.01Å
114L97.3Very high93.7Very high27 Ų2750.6 Ų50.614%0.14128%0.275CS..Hα-helixtrans-64.5-36.2173.4-76.8171.2000111.9M97 L104 F110 G111 D112 G118M97-L114 HydrophobicContact CB-CD2 4.29Å; M97-L114 HydrophobicContact CG-CD2 4.12Å; L104-L114 HydrophobicContact CD1-CD1 3.72Å; F110-L114 HydrophobicContact CD1-CD1 4.03Å; F110-L114 HydrophobicContact CD2-CG 4.37Å; F110-L114 HydrophobicContact CE1-CD1 3.58Å; F110-L114 HydrophobicContact CE1-CG 4.28Å; F110-L114 HydrophobicContact CE2-CD1 4.17Å; F110-L114 HydrophobicContact CE2-CD2 4.21Å; F110-L114 HydrophobicContact CE2-CG 3.96Å; F110-L114 HydrophobicContact CG-CD1 4.5Å; F110-L114 HydrophobicContact CZ-CD1 3.66Å; F110-L114 HydrophobicContact CZ-CD2 4.08Å; F110-L114 HydrophobicContact CZ-CG 3.91Å; F110-L114 WeakPolarHBondContact O-CG 3.29Å; F110-L114 PolarHBondContact O-N 3.26Å; G111-L114 WeakPolarHBondContact O-CB 3.47Å; G111-L114 PolarHBondContact O-N 3.06Å; G111-L114 VanDerWaalsContact O-N 3.17Å; D112-L114 VanDerWaalsContact C-N 3.34Å; L114-G118 PolarHBondContact O-N 3.12Å
115L97.3Very high93.9Very high43 Ų4347 Ų4723%0.22526%0.257CS..Hα-helixtrans-63.8-51.2174.7-64.4178.3000111.5V98 K102 G111 D112 A113 A117 G118 E119V98-L115 HydrophobicContact CG1-CD2 4.23Å; V98-L115 WeakPolarHBondContact O-CD2 3.46Å; K102-L115 HydrophobicContact CG-CD2 3.85Å; G111-L115 WeakPolarHBondContact O-CG 3.32Å; G111-L115 PolarHBondContact O-N 3.06Å; D112-L115 PolarHBondContact O-N 3.14Å; A113-L115 VanDerWaalsContact C-N 3.32Å; L115-A117 VanDerWaalsContact C-N 3.34Å; L115-A117 PolarHBondContact O-N 3.46Å; L115-G118 PolarHBondContact O-N 3.44Å; L115-E119 WeakPolarHBondContact O-CG 3.43Å; L115-E119 PolarHBondContact O-N 3.26Å
116D97.2Very high94.5Very high25 Ų2551.1 Ų51.113%0.13427%0.269CS..Hα-helixtrans-58.3-44.6177.3-86.8-49000112.1D112 A113 S120 L236 K239 R243D112-D116 PolarHBondContact O-N 3.28Å; A113-D116 PolarHBondContact O-N 2.95Å; D116-S120 PolarHBondContact O-N 3.13Å; D116-S120 PolarHBondContact O-OG 3.19Å; D116-L236 HydrophobicContact CB-CD1 4.22Å; D116-K239 IonicContact OD1-NZ 3.63Å; D116-K239 PolarHBondContact OD1-NZ 3.38Å; D116-R243 IonicContact OD2-CZ 2.75Å; D116-R243 IonicContact OD2-NE 3.68Å; D116-R243 IonicContact OD2-NH2 3.78Å; D116-R243 PolarHBondContact OD2-NH2 3.27Å
117A98.1Very high95.4Very high15 Ų1548.4 Ų48.412%0.12424%0.239CC..Hα-helixtrans-65.4-46.5177.800000111.3M97 A113 L115 E119 S120 M121 L236M97-A117 HydrophobicContact SD-CB 3.9Å; A113-A117 WeakPolarHBondContact O-CB 3.41Å; A113-A117 PolarHBondContact O-N 3.17Å; L115-A117 VanDerWaalsContact C-N 3.34Å; L115-A117 PolarHBondContact O-N 3.46Å; A117-E119 PolarHBondContact O-N 2.9Å; A117-S120 WeakPolarHBondContact O-CB 3.46Å; A117-S120 PolarHBondContact O-N 2.9Å; A117-S120 VanDerWaalsContact O-N 3.13Å; A117-M121 WeakPolarHBondContact O-CG 3.47Å; A117-M121 PolarHBondContact O-N 3.16Å; A117-L236 HydrophobicContact CB-CD1 4.31Å; A117-L236 HydrophobicContact CB-CD2 4.31Å
118G98.1Very high96.2Very high0 Ų041 Ų410%020%0.204CC..Hα-helixtrans-64.4-39-178.900000113.3G94 L114 L115 S120 M121 K122G94-G118 WeakPolarHBondContact CA-O 3.49Å; L114-G118 PolarHBondContact O-N 3.12Å; L115-G118 PolarHBondContact O-N 3.44Å; G118-S120 VanDerWaalsContact C-N 3.33Å; G118-S120 PolarHBondContact O-N 3.33Å; G118-M121 PolarHBondContact O-N 3.41Å; G118-K122 WeakPolarHBondContact O-CG 3.43Å; G118-K122 PolarHBondContact O-N 3.49Å
119E98Very high96.4Very high97 Ų9739.9 Ų39.945%0.45320%0.195SC..Hα-helixtrans-63.6-38.2172-74.6-178.9-17800112.5L115 A117 K122 R123L115-E119 WeakPolarHBondContact O-CG 3.43Å; L115-E119 PolarHBondContact O-N 3.26Å; A117-E119 PolarHBondContact O-N 2.9Å; E119-K122 PolarHBondContact O-N 3.35Å; E119-R123 PolarHBondContact O-N 2.95Å; E119-R123 VanDerWaalsContact O-N 3.12Å
120S98.4Very high96.6Very high1 Ų139.1 Ų39.11%0.00719%0.194CC..Hα-helixtrans-69.5-39.6177.7-54.40000111.3D116 A117 G118 K122 R123 L124D116-S120 PolarHBondContact O-N 3.13Å; D116-S120 PolarHBondContact O-OG 3.19Å; A117-S120 WeakPolarHBondContact O-CB 3.46Å; A117-S120 PolarHBondContact O-N 2.9Å; A117-S120 VanDerWaalsContact O-N 3.13Å; G118-S120 VanDerWaalsContact C-N 3.33Å; G118-S120 PolarHBondContact O-N 3.33Å; S120-K122 VanDerWaalsContact C-N 3.34Å; S120-K122 PolarHBondContact O-N 3.43Å; S120-R123 WeakPolarHBondContact O-CB 3.5Å; S120-R123 PolarHBondContact O-N 3.16Å; S120-L124 PolarHBondContact O-N 3.37Å
121M98.4Very high96.7Very high31 Ų3133 Ų3315%0.15317%0.168CC..Hα-helixtrans-62.3-38.7173.5-70-54.6-48.400112.3E90 L93 M97 A117 G118 L124 A125E90-M121 HydrophobicContact CB-CE 3.73Å; E90-M121 HydrophobicContact CG-CE 3.89Å; L93-M121 HydrophobicContact CD2-CE 3.9Å; L93-M121 HydrophobicContact CD2-CG 4.5Å; L93-M121 HydrophobicContact CD2-SD 4.36Å; M97-M121 HydrophobicContact SD-CG 4.08Å; A117-M121 WeakPolarHBondContact O-CG 3.47Å; A117-M121 PolarHBondContact O-N 3.16Å; G118-M121 PolarHBondContact O-N 3.41Å; M121-L124 HydrophobicContact CE-CD1 4.17Å; M121-L124 WeakPolarHBondContact O-CB 3.47Å; M121-L124 PolarHBondContact O-N 2.89Å; M121-L124 HydrophobicContact SD-CD1 3.94Å; M121-A125 PolarHBondContact O-N 3.16Å
122K97.4Very high96.7Very high76 Ų7633 Ų3333%0.3317%0.168SC..Hα-helixtrans-63.6-39.7173.1-72.9-178.2178.6-161.10112.5G118 E119 S120 A125 E126G118-K122 WeakPolarHBondContact O-CG 3.43Å; G118-K122 PolarHBondContact O-N 3.49Å; E119-K122 PolarHBondContact O-N 3.35Å; S120-K122 VanDerWaalsContact C-N 3.34Å; S120-K122 PolarHBondContact O-N 3.43Å; K122-A125 VanDerWaalsContact O-CB 3.29Å; K122-A125 WeakPolarHBondContact O-CB 3.28Å; K122-A125 PolarHBondContact O-N 3.4Å; K122-E126 PolarHBondContact O-N 2.95Å
123R97.6Very high96.6Very high82 Ų8231.6 Ų31.631%0.30916%0.16SC..Hα-helixtrans-63.5-40.9173-70.8-177.2-118.1170.2-7.5112E119 S120 A125 E126 V127 I232 E235E119-R123 PolarHBondContact O-N 2.95Å; E119-R123 VanDerWaalsContact O-N 3.12Å; S120-R123 WeakPolarHBondContact O-CB 3.5Å; S120-R123 PolarHBondContact O-N 3.16Å; R123-A125 VanDerWaalsContact C-N 3.25Å; R123-A125 PolarHBondContact O-N 3.48Å; R123-E126 WeakPolarHBondContact O-CB 3.04Å; R123-E126 PolarHBondContact O-N 3.37Å; R123-E126 VanDerWaalsContact O-N 3.14Å; R123-V127 WeakPolarHBondContact O-CG2 3.45Å; R123-V127 PolarHBondContact O-N 3.05Å; R123-V127 VanDerWaalsContact O-N 3.09Å; R123-I232 HydrophobicContact CB-CD1 3.9Å; R123-I232 HydrophobicContact CB-CG1 4.46Å; R123-I232 HydrophobicContact CB-CG2 4.38Å; R123-E235 IonicContact NH1-OE2 2.87Å
124L98.1Very high96.5Very high14 Ų1433.9 Ų33.97%0.07317%0.168CC..Hα-helixtrans-59.5-37.7173.5-72.2172.5000112.1E90 S120 M121 E126 V127 K128 A229 I232 L233E90-L124 HydrophobicContact CB-CB 4.32Å; E90-L124 HydrophobicContact CG-CB 4.39Å; S120-L124 PolarHBondContact O-N 3.37Å; M121-L124 HydrophobicContact CE-CD1 4.17Å; M121-L124 WeakPolarHBondContact O-CB 3.47Å; M121-L124 PolarHBondContact O-N 2.89Å; M121-L124 HydrophobicContact SD-CD1 3.94Å; L124-E126 PolarHBondContact O-N 3.48Å; L124-V127 PolarHBondContact O-N 3.43Å; L124-K128 WeakPolarHBondContact O-CB 3.34Å; L124-K128 PolarHBondContact O-N 3.21Å; L124-A229 HydrophobicContact CD2-CB 3.68Å; L124-I232 HydrophobicContact CD2-CB 4.15Å; L124-I232 HydrophobicContact CD2-CD1 4.06Å; L124-I232 HydrophobicContact CD2-CG2 4.19Å; L124-I232 HydrophobicContact CG-CG2 4.03Å; L124-L233 HydrophobicContact CD1-CD2 3.94Å; L124-L233 HydrophobicContact CD1-CG 4.24Å
125A96.4Very high96.4Very high10 Ų1032.7 Ų32.78%0.08316%0.161CC..Hα-helixtrans-61.4-41.3174.300000112.4Q88 E90 M121 K122 R123 K128 D129Q88-A125 HydrophobicContact CB-CB 4.12Å; E90-A125 HydrophobicContact CB-CB 4.08Å; M121-A125 PolarHBondContact O-N 3.16Å; K122-A125 VanDerWaalsContact O-CB 3.29Å; K122-A125 WeakPolarHBondContact O-CB 3.28Å; K122-A125 PolarHBondContact O-N 3.4Å; R123-A125 VanDerWaalsContact C-N 3.25Å; R123-A125 PolarHBondContact O-N 3.48Å; A125-K128 WeakPolarHBondContact O-CB 3.35Å; A125-K128 PolarHBondContact O-N 3.32Å; A125-D129 PolarHBondContact O-N 3.03Å
126E95.3Very high96.2Very high117 Ų11731.2 Ų31.255%0.54715%0.153SC..Hα-helixtrans-64.5-39.7175.6-65.5177.3-172.500112.2K122 R123 L124 K128 D129 S130K122-E126 PolarHBondContact O-N 2.95Å; R123-E126 WeakPolarHBondContact O-CB 3.04Å; R123-E126 PolarHBondContact O-N 3.37Å; R123-E126 VanDerWaalsContact O-N 3.14Å; L124-E126 PolarHBondContact O-N 3.48Å; E126-K128 VanDerWaalsContact C-N 3.33Å; E126-D129 WeakPolarHBondContact O-CB 3.44Å; E126-D129 PolarHBondContact O-N 3.17Å; E126-S130 PolarHBondContact O-N 3.31Å; E126-S130 PolarHBondContact O-OG 3.02Å
127V96.5Very high96Very high10 Ų1032.6 Ų32.66%0.06116%0.159CC..Hα-helixtrans-66.6-37.8175-175.90000110.5R123 L124 S130 L131 Y225 Q228 I232R123-V127 WeakPolarHBondContact O-CG2 3.45Å; R123-V127 PolarHBondContact O-N 3.05Å; R123-V127 VanDerWaalsContact O-N 3.09Å; L124-V127 PolarHBondContact O-N 3.43Å; V127-S130 WeakPolarHBondContact O-CB 3.44Å; V127-S130 PolarHBondContact O-N 3.09Å; V127-L131 PolarHBondContact O-N 3.47Å; V127-Y225 HydrophobicContact CB-CD2 4.47Å; V127-Y225 HydrophobicContact CG1-CD2 3.71Å; V127-Y225 HydrophobicContact CG1-CE2 4.3Å; V127-Y225 HydrophobicContact CG1-CG 4.47Å; V127-Q228 HydrophobicContact CG1-CB 3.66Å; V127-Q228 HydrophobicContact CG2-CB 4.08Å; V127-I232 HydrophobicContact CG2-CD1 3.67Å
128K96.4Very high95.8Very high22 Ų2236 Ų3610%0.09618%0.175CC..Hα-helixtrans-65.9-38.9174.3-177.658.7174.1610112.4L58 Q59 Q88 L124 A125 E126 S130 L131 D132 Y225L58-K128 PolarHBondContact O-NZ 3.4Å; Q59-K128 VanDerWaalsContact NE2-NZ 3.17Å; Q88-K128 HydrophobicContact CB-CG 4.46Å; Q88-K128 HydrophobicContact CG-CB 4.25Å; Q88-K128 HydrophobicContact CG-CG 4.01Å; L124-K128 WeakPolarHBondContact O-CB 3.34Å; L124-K128 PolarHBondContact O-N 3.21Å; A125-K128 WeakPolarHBondContact O-CB 3.35Å; A125-K128 PolarHBondContact O-N 3.32Å; E126-K128 VanDerWaalsContact C-N 3.33Å; K128-S130 VanDerWaalsContact C-N 3.34Å; K128-L131 HydrophobicContact CD-CD2 4.19Å; K128-L131 WeakPolarHBondContact O-CB 3.42Å; K128-L131 PolarHBondContact O-N 3.25Å; K128-D132 IonicContact NZ-OD1 2.73Å; K128-D132 PolarHBondContact NZ-OD1 3.48Å; K128-D132 IonicContact NZ-OD2 3.67Å; K128-D132 PolarHBondContact NZ-OD2 3.31Å; K128-D132 PolarHBondContact O-N 2.84Å; K128-D132 VanDerWaalsContact O-N 3.09Å; K128-Y225 HydrophobicContact CB-CE2 3.94Å; K128-Y225 HydrophobicContact CD-CE2 3.92Å
129D94.2Very high95.7Very high11 Ų1136.1 Ų36.16%0.05918%0.175CC..Hα-helixtrans-60.5-44.2171.9-78.9-17.6000111.2P84 Q88 A125 E126 L131 D132 I133P84-D129 WeakPolarHBondContact CD-OD1 3.31Å; P84-D129 WeakPolarHBondContact CD-OD2 3.32Å; P84-D129 HydrophobicContact CG-CB 4.43Å; P84-D129 VanDerWaalsContact CG-OD1 3.24Å; P84-D129 WeakPolarHBondContact CG-OD1 3.48Å; Q88-D129 WeakPolarHBondContact CG-OD1 3.45Å; Q88-D129 PolarHBondContact NE2-OD1 3.29Å; A125-D129 PolarHBondContact O-N 3.03Å; E126-D129 WeakPolarHBondContact O-CB 3.44Å; E126-D129 PolarHBondContact O-N 3.17Å; D129-L131 PolarHBondContact O-N 3.06Å; D129-D132 PolarHBondContact O-N 3.33Å; D129-I133 VanDerWaalsContact O-CD1 3.27Å; D129-I133 WeakPolarHBondContact O-CD1 3.3Å; D129-I133 WeakPolarHBondContact O-CG1 3.42Å; D129-I133 PolarHBondContact O-N 2.83Å
130S94.3Very high95.6Very high44 Ų4431.7 Ų31.731%0.30816%0.155SC..Hα-helixtrans-60.2-44.4175.7-62.30000112E126 V127 K128 D132 I133 E134E126-S130 PolarHBondContact O-N 3.31Å; E126-S130 PolarHBondContact O-OG 3.02Å; V127-S130 WeakPolarHBondContact O-CB 3.44Å; V127-S130 PolarHBondContact O-N 3.09Å; K128-S130 VanDerWaalsContact C-N 3.34Å; S130-D132 PolarHBondContact O-N 2.99Å; S130-I133 PolarHBondContact O-N 3.23Å; S130-E134 WeakPolarHBondContact O-CB 3.18Å; S130-E134 WeakPolarHBondContact O-CG 3.27Å; S130-E134 PolarHBondContact O-N 2.97Å
131L96.3Very high95.4Very high3 Ų334 Ų342%0.01617%0.167CC..Hα-helixtrans-56.1-50.5175.417666.5000111.7L58 V127 K128 D129 I133 E134 V135 A221 Q222 Y225L58-L131 HydrophobicContact CD2-CD2 4.1Å; L58-L131 HydrophobicContact CD2-CG 3.99Å; V127-L131 PolarHBondContact O-N 3.47Å; K128-L131 HydrophobicContact CD-CD2 4.19Å; K128-L131 WeakPolarHBondContact O-CB 3.42Å; K128-L131 PolarHBondContact O-N 3.25Å; D129-L131 PolarHBondContact O-N 3.06Å; L131-I133 PolarHBondContact O-N 3.09Å; L131-E134 PolarHBondContact O-N 3.43Å; L131-V135 HydrophobicContact CD1-CG2 3.76Å; L131-V135 HydrophobicContact CG-CG2 4.39Å; L131-V135 WeakPolarHBondContact O-CB 3.47Å; L131-V135 WeakPolarHBondContact O-CG2 3.41Å; L131-V135 PolarHBondContact O-N 3.27Å; L131-A221 HydrophobicContact CD1-CB 4.15Å; L131-Q222 HydrophobicContact CD1-CG 4.27Å; L131-Y225 HydrophobicContact CB-CD2 3.85Å; L131-Y225 HydrophobicContact CB-CG 4.1Å; L131-Y225 HydrophobicContact CD1-CG 4.43Å; L131-Y225 HydrophobicContact CD2-CD1 3.92Å; L131-Y225 HydrophobicContact CD2-CD2 3.93Å; L131-Y225 HydrophobicContact CD2-CE1 4.32Å; L131-Y225 HydrophobicContact CD2-CE2 4.38Å; L131-Y225 HydrophobicContact CD2-CG 3.73Å; L131-Y225 HydrophobicContact CG-CD2 4.44Å; L131-Y225 HydrophobicContact CG-CG 4.29Å
132D94.8Very high95.2Very high0 Ų034.5 Ų34.50%017%0.172CC..Hα-helixtrans-58.1-41.7-179.8-75.54.6000111.2Q59 L68 Y86 Q88 K128 D129 S130 K136Q59-D132 PolarHBondContact NE2-OD2 2.95Å; L68-D132 HydrophobicContact CD1-CB 4.21Å; Y86-D132 PolarHBondContact OH-OD2 3.29Å; Q88-D132 PolarHBondContact NE2-OD2 3.33Å; K128-D132 IonicContact NZ-OD1 2.73Å; K128-D132 PolarHBondContact NZ-OD1 3.48Å; K128-D132 IonicContact NZ-OD2 3.67Å; K128-D132 PolarHBondContact NZ-OD2 3.31Å; K128-D132 PolarHBondContact O-N 2.84Å; K128-D132 VanDerWaalsContact O-N 3.09Å; D129-D132 PolarHBondContact O-N 3.33Å; S130-D132 PolarHBondContact O-N 2.99Å; D132-K136 WeakPolarHBondContact O-CB 3.37Å; D132-K136 PolarHBondContact O-N 3.46Å
133I91.7Very high95.1Very high18 Ų1831.2 Ų31.29%0.09216%0.159CC..Hα-helixtrans-68.3-49.6-180-64161.1000110.7L71 K76 D129 S130 L131 K136 Q137L71-I133 HydrophobicContact CD2-CG1 4.17Å; K76-I133 HydrophobicContact CD-CG2 4.22Å; K76-I133 VanDerWaalsContact NZ-CG1 3.28Å; D129-I133 VanDerWaalsContact O-CD1 3.27Å; D129-I133 WeakPolarHBondContact O-CD1 3.3Å; D129-I133 WeakPolarHBondContact O-CG1 3.42Å; D129-I133 PolarHBondContact O-N 2.83Å; S130-I133 PolarHBondContact O-N 3.23Å; L131-I133 PolarHBondContact O-N 3.09Å; I133-K136 PolarHBondContact O-N 2.7Å; I133-Q137 HydrophobicContact CG2-CG 4.31Å; I133-Q137 WeakPolarHBondContact O-CB 3.43Å; I133-Q137 WeakPolarHBondContact O-CG 3.28Å; I133-Q137 PolarHBondContact O-N 3.48Å
134E93.8Very high94.9Very high66 Ų6630.6 Ų30.631%0.30816%0.159SC..Hα-helixtrans-63.8-44.3-176.9-74.3-179.7-177.700111.8S130 L131 K136 Q137 N138 A221S130-E134 WeakPolarHBondContact O-CB 3.18Å; S130-E134 WeakPolarHBondContact O-CG 3.27Å; S130-E134 PolarHBondContact O-N 2.97Å; L131-E134 PolarHBondContact O-N 3.43Å; E134-K136 VanDerWaalsContact C-N 3.33Å; E134-K136 PolarHBondContact O-N 3.38Å; E134-Q137 PolarHBondContact O-N 3.22Å; E134-N138 WeakPolarHBondContact O-CB 3.47Å; E134-N138 PolarHBondContact O-N 3.5Å; E134-N138 PolarHBondContact O-ND2 2.85Å; E134-A221 HydrophobicContact CB-CB 4.08Å
135V96.3Very high94.7Very high1 Ų133.1 Ų33.11%0.00617%0.173CC..Hα-helixtrans-66.9-37.7176.4178.70000110.7T54 L58 L131 Q137 F139 I140 L218 A221T54-V135 HydrophobicContact CG2-CG1 3.74Å; L58-V135 HydrophobicContact CD1-CB 3.87Å; L58-V135 HydrophobicContact CD1-CG1 3.68Å; L58-V135 HydrophobicContact CD2-CB 4.31Å; L58-V135 HydrophobicContact CD2-CG1 4.49Å; L58-V135 HydrophobicContact CD2-CG2 4.3Å; L58-V135 HydrophobicContact CG-CG1 4.44Å; L131-V135 HydrophobicContact CD1-CG2 3.76Å; L131-V135 HydrophobicContact CG-CG2 4.39Å; L131-V135 WeakPolarHBondContact O-CB 3.47Å; L131-V135 WeakPolarHBondContact O-CG2 3.41Å; L131-V135 PolarHBondContact O-N 3.27Å; V135-Q137 VanDerWaalsContact C-N 3.35Å; V135-Q137 PolarHBondContact O-N 2.89Å; V135-F139 HydrophobicContact CG1-CB 4.14Å; V135-F139 HydrophobicContact CG1-CD1 4.18Å; V135-F139 WeakPolarHBondContact O-CA 3.5Å; V135-F139 VanDerWaalsContact O-CB 3.31Å; V135-F139 WeakPolarHBondContact O-CB 3.24Å; V135-F139 PolarHBondContact O-N 3.33Å; V135-F139 VanDerWaalsContact O-N 3.1Å; V135-I140 HydrophobicContact CG1-CD1 4.16Å; V135-I140 HydrophobicContact CG1-CG1 4.29Å; V135-I140 PolarHBondContact O-N 3.49Å; V135-L218 HydrophobicContact CB-CD1 4.47Å; V135-L218 HydrophobicContact CG1-CD1 3.67Å; V135-L218 HydrophobicContact CG2-CD1 3.89Å; V135-A221 HydrophobicContact CG2-CB 3.82Å
136K93.7Very high94.6Very high12 Ų1233.2 Ų33.25%0.05217%0.172CC..Iπ-helixtrans-59.4-46.7174.3-179.657164.462.50111.8L68 L71 D132 I133 E134 I140 D141L68-K136 HydrophobicContact CD1-CB 4.18Å; L68-K136 HydrophobicContact CD1-CG 4.45Å; L68-K136 VanDerWaalsContact O-CE 3.26Å; L68-K136 WeakPolarHBondContact O-CE 3.45Å; L71-K136 HydrophobicContact CD2-CG 4.38Å; L71-K136 PolarHBondContact O-NZ 3.28Å; L71-K136 VanDerWaalsContact O-NZ 3.13Å; D132-K136 WeakPolarHBondContact O-CB 3.37Å; D132-K136 PolarHBondContact O-N 3.46Å; I133-K136 PolarHBondContact O-N 2.7Å; E134-K136 VanDerWaalsContact C-N 3.33Å; E134-K136 PolarHBondContact O-N 3.38Å; K136-I140 HydrophobicContact CD-CB 4.03Å; K136-I140 HydrophobicContact CD-CD1 4.31Å; K136-I140 HydrophobicContact CD-CG2 3.92Å; K136-D141 IonicContact NZ-OD1 3.62Å; K136-D141 PolarHBondContact NZ-OD1 3.09Å; K136-D141 IonicContact NZ-OD2 2.72Å; K136-D141 PolarHBondContact NZ-OD2 2.93Å; K136-D141 WeakPolarHBondContact O-CB 3.29Å; K136-D141 VanDerWaalsContact O-CG 3.26Å; K136-D141 PolarHBondContact O-N 2.97Å
137Q91.9Very high94.5Very high54 Ų5428.9 Ų28.925%0.25215%0.154SC..Iπ-helixtrans-76.9-42.8-173-68-175.9-14.100113.5T73 I133 E134 V135 P142T73-Q137 HydrophobicContact CG2-CB 4.22Å; T73-Q137 HydrophobicContact CG2-CG 3.54Å; I133-Q137 HydrophobicContact CG2-CG 4.31Å; I133-Q137 WeakPolarHBondContact O-CB 3.43Å; I133-Q137 WeakPolarHBondContact O-CG 3.28Å; I133-Q137 PolarHBondContact O-N 3.48Å; E134-Q137 PolarHBondContact O-N 3.22Å; V135-Q137 VanDerWaalsContact C-N 3.35Å; V135-Q137 PolarHBondContact O-N 2.89Å; Q137-P142 WeakPolarHBondContact O-CD 3.43Å
138N94.1Very high94.4Very high87 Ų8732.7 Ų32.747%0.46517%0.174SC..Iπ-helixtrans-101.7-11.6-168.5-59.9-40.1000113.4E134 A217E134-N138 WeakPolarHBondContact O-CB 3.47Å; E134-N138 PolarHBondContact O-N 3.5Å; E134-N138 PolarHBondContact O-ND2 2.85Å; N138-A217 HydrophobicContact CB-CB 4.02Å
139F96.6Very high94.3Very high2 Ų237.6 Ų37.61%0.00920%0.196CC..Iπ-helixtrans-124.8-57.9-179.6-176.5-106.4000112.6V50 T54 V135 P142 L143 Q214 L215 L218V50-F139 HydrophobicContact CG1-CE1 4.1Å; V50-F139 HydrophobicContact CG1-CZ 3.66Å; T54-F139 HydrophobicContact CG2-CD1 3.88Å; T54-F139 HydrophobicContact CG2-CE1 3.85Å; T54-F139 WeakPolarHBondContact OG1-CE1 3.49Å; V135-F139 HydrophobicContact CG1-CB 4.14Å; V135-F139 HydrophobicContact CG1-CD1 4.18Å; V135-F139 WeakPolarHBondContact O-CA 3.5Å; V135-F139 VanDerWaalsContact O-CB 3.31Å; V135-F139 WeakPolarHBondContact O-CB 3.24Å; V135-F139 PolarHBondContact O-N 3.33Å; V135-F139 VanDerWaalsContact O-N 3.1Å; F139-P142 WeakPolarHBondContact O-CD 3.43Å; F139-L143 HydrophobicContact CD1-CD1 4.22Å; F139-L143 HydrophobicContact CD2-CD1 4.01Å; F139-L143 HydrophobicContact CE1-CD1 3.75Å; F139-L143 HydrophobicContact CE2-CD1 3.55Å; F139-L143 HydrophobicContact CG-CD1 4.35Å; F139-L143 HydrophobicContact CZ-CD1 3.42Å; F139-L143 VanDerWaalsContact CZ-CD1 3.42Å; F139-L143 WeakPolarHBondContact O-CB 3.37Å; F139-L143 WeakPolarHBondContact O-CG 3.43Å; F139-L143 PolarHBondContact O-N 3.08Å; F139-Q214 HydrophobicContact CD2-CB 4.11Å; F139-Q214 WeakPolarHBondContact CD2-O 3.47Å; F139-Q214 HydrophobicContact CE2-CB 4.44Å; F139-L215 HydrophobicContact CE2-CD2 3.97Å; F139-L215 HydrophobicContact CZ-CD2 4.27Å; F139-L218 HydrophobicContact CB-CB 4.4Å; F139-L218 HydrophobicContact CD1-CB 4.43Å; F139-L218 HydrophobicContact CD1-CD1 4.36Å; F139-L218 HydrophobicContact CD1-CD2 4.33Å; F139-L218 HydrophobicContact CD2-CB 3.81Å; F139-L218 HydrophobicContact CE1-CD2 3.93Å; F139-L218 HydrophobicContact CE2-CB 4.1Å; F139-L218 HydrophobicContact CE2-CD2 4.16Å; F139-L218 HydrophobicContact CG-CB 3.96Å; F139-L218 HydrophobicContact CZ-CD2 3.81Å
140I95.6Very high94.3Very high5 Ų540.5 Ų40.53%0.02621%0.211CC..Iπ-helixtrans-67.8-49.9-174.4-63.7167000111.3L51 I55 L58 V135 K136 L143 Q144L51-I140 HydrophobicContact CG-CG2 4.37Å; I55-I140 HydrophobicContact CD1-CG2 4.23Å; I55-I140 HydrophobicContact CG1-CD1 3.72Å; I55-I140 HydrophobicContact CG1-CG1 4.37Å; I55-I140 HydrophobicContact CG1-CG2 4.46Å; L58-I140 HydrophobicContact CD1-CD1 3.87Å; V135-I140 HydrophobicContact CG1-CD1 4.16Å; V135-I140 HydrophobicContact CG1-CG1 4.29Å; V135-I140 PolarHBondContact O-N 3.49Å; K136-I140 HydrophobicContact CD-CB 4.03Å; K136-I140 HydrophobicContact CD-CD1 4.31Å; K136-I140 HydrophobicContact CD-CG2 3.92Å; I140-L143 PolarHBondContact O-N 3.13Å; I140-Q144 VanDerWaalsContact O-CB 3.29Å; I140-Q144 WeakPolarHBondContact O-CB 3.28Å; I140-Q144 PolarHBondContact O-N 3.12Å
141D94Very high94.3Very high48 Ų4838.6 Ų38.626%0.25720%0.197SC..Hα-helixtrans-61.3-46-177.5-77.6-18.6000113.3T73 K136 Q144 N145T73-D141 WeakPolarHBondContact CB-OD2 3.49Å; T73-D141 PolarHBondContact OG1-OD2 3.29Å; K136-D141 IonicContact NZ-OD1 3.62Å; K136-D141 PolarHBondContact NZ-OD1 3.09Å; K136-D141 IonicContact NZ-OD2 2.72Å; K136-D141 PolarHBondContact NZ-OD2 2.93Å; K136-D141 WeakPolarHBondContact O-CB 3.29Å; K136-D141 VanDerWaalsContact O-CG 3.26Å; K136-D141 PolarHBondContact O-N 2.97Å; D141-Q144 PolarHBondContact O-N 3.1Å; D141-N145 WeakPolarHBondContact O-CB 3.45Å; D141-N145 PolarHBondContact O-N 3.27Å
142P94.6Very high94.3Very high42 Ų4244.7 Ų44.727%0.27322%0.224SC..Hα-helixtrans-59.4-45.2173.6-27.236.2000113.5Q137 F139 N145 L146 Q214Q137-P142 WeakPolarHBondContact O-CD 3.43Å; F139-P142 WeakPolarHBondContact O-CD 3.43Å; P142-N145 WeakPolarHBondContact O-CB 3.47Å; P142-N145 PolarHBondContact O-N 3.03Å; P142-L146 PolarHBondContact O-N 2.98Å; P142-Q214 HydrophobicContact CB-CG 4.18Å
143L94.9Very high94.4Very high8 Ų850 Ų504%0.04225%0.248CC..Hα-helixtrans-68.1-35.1178.6-72.6-179.2000112.5V47 L51 F139 I140 N145 L146 C147V47-L143 HydrophobicContact CG1-CB 4.01Å; V47-L143 HydrophobicContact CG1-CD2 3.88Å; V47-L143 HydrophobicContact CG1-CG 4.39Å; V47-L143 HydrophobicContact CG2-CD2 4.23Å; L51-L143 HydrophobicContact CD1-CB 4.14Å; F139-L143 HydrophobicContact CD1-CD1 4.22Å; F139-L143 HydrophobicContact CD2-CD1 4.01Å; F139-L143 HydrophobicContact CE1-CD1 3.75Å; F139-L143 HydrophobicContact CE2-CD1 3.55Å; F139-L143 HydrophobicContact CG-CD1 4.35Å; F139-L143 HydrophobicContact CZ-CD1 3.42Å; F139-L143 VanDerWaalsContact CZ-CD1 3.42Å; F139-L143 WeakPolarHBondContact O-CB 3.37Å; F139-L143 WeakPolarHBondContact O-CG 3.43Å; F139-L143 PolarHBondContact O-N 3.08Å; I140-L143 PolarHBondContact O-N 3.13Å; L143-N145 VanDerWaalsContact C-N 3.34Å; L143-L146 HydrophobicContact CD2-CD2 4.14Å; L143-L146 WeakPolarHBondContact O-CB 3.49Å; L143-L146 PolarHBondContact O-N 3.35Å; L143-C147 PolarHBondContact O-N 2.97Å
144Q94.6Very high94.6Very high68 Ų6849.4 Ų49.432%0.31825%0.245SC..Hα-helixtrans-64.8-41.8173.8-169.862.254.900110.7L51 I140 D141 L146 C147 D148L51-Q144 HydrophobicContact CD1-CB 4.03Å; L51-Q144 VanDerWaalsContact CD1-OE1 3.32Å; I140-Q144 VanDerWaalsContact O-CB 3.29Å; I140-Q144 WeakPolarHBondContact O-CB 3.28Å; I140-Q144 PolarHBondContact O-N 3.12Å; D141-Q144 PolarHBondContact O-N 3.1Å; Q144-L146 PolarHBondContact O-N 3.27Å; Q144-C147 WeakPolarHBondContact O-CB 3.31Å; Q144-C147 PolarHBondContact O-N 2.89Å; Q144-D148 WeakPolarHBondContact CG-OD2 3.46Å; Q144-D148 VanDerWaalsContact NE2-CG 3.31Å; Q144-D148 PolarHBondContact NE2-OD1 3.33Å; Q144-D148 PolarHBondContact NE2-OD2 3.46Å; Q144-D148 WeakPolarHBondContact O-CB 3.24Å; Q144-D148 PolarHBondContact O-N 3.24Å
145N93.1Very high94.7Very high68 Ų6851.5 Ų51.536%0.36426%0.255SS..Hα-helixtrans-61.9-42.4175.1179.982.7000112D141 P142 L143 C147 D148 K149D141-N145 WeakPolarHBondContact O-CB 3.45Å; D141-N145 PolarHBondContact O-N 3.27Å; P142-N145 WeakPolarHBondContact O-CB 3.47Å; P142-N145 PolarHBondContact O-N 3.03Å; L143-N145 VanDerWaalsContact C-N 3.34Å; N145-C147 VanDerWaalsContact C-N 3.33Å; N145-C147 PolarHBondContact O-N 3.39Å; N145-D148 PolarHBondContact O-N 3.49Å; N145-K149 WeakPolarHBondContact O-CB 3.38Å; N145-K149 PolarHBondContact O-N 3.37Å; N145-K149 VanDerWaalsContact OD1-CD 3.23Å; N145-K149 WeakPolarHBondContact OD1-CD 3.31Å; N145-K149 WeakPolarHBondContact OD1-CE 3.43Å; N145-K149 PolarHBondContact OD1-NZ 2.99Å
146L94Very high94.8Very high11 Ų1157 Ų576%0.05828%0.281CS..Hα-helixtrans-57.9-43.8174.6179.366.9000111.9V47 P142 L143 Q144 D150 L151 L204 Q211V47-L146 HydrophobicContact CG1-CD2 4.42Å; V47-L146 HydrophobicContact CG2-CD2 4.02Å; P142-L146 PolarHBondContact O-N 2.98Å; L143-L146 HydrophobicContact CD2-CD2 4.14Å; L143-L146 WeakPolarHBondContact O-CB 3.49Å; L143-L146 PolarHBondContact O-N 3.35Å; Q144-L146 PolarHBondContact O-N 3.27Å; L146-D150 HydrophobicContact CD1-CB 4.08Å; L146-D150 PolarHBondContact O-N 2.77Å; L146-L151 HydrophobicContact CG-CD1 4.27Å; L146-L151 HydrophobicContact CG-CG 4.41Å; L146-L151 WeakPolarHBondContact O-CB 3.39Å; L146-L151 WeakPolarHBondContact O-CG 3.45Å; L146-L151 PolarHBondContact O-N 2.89Å; L146-L204 HydrophobicContact CD1-CD1 3.73Å; L146-Q211 HydrophobicContact CD2-CG 4.01Å
147C93.4Very high94.9Very high26 Ų2657.7 Ų57.718%0.17628%0.284CS..Iπ-helixtrans-64.2-50.2174.7-77.90000112.9V47 L143 Q144 N145 K149 K152V47-C147 WeakPolarHBondContact CG1-SG 3.42Å; L143-C147 PolarHBondContact O-N 2.97Å; Q144-C147 WeakPolarHBondContact O-CB 3.31Å; Q144-C147 PolarHBondContact O-N 2.89Å; N145-C147 VanDerWaalsContact C-N 3.33Å; N145-C147 PolarHBondContact O-N 3.39Å; C147-K149 PolarHBondContact O-N 2.82Å; C147-K152 PolarHBondContact O-N 3.07Å
148D93.7Very high95.1Very high90 Ų9056.5 Ų56.548%0.48128%0.279SS..Iπ-helixtrans-78.9-20.3-169.1-72.3-29.2000113.7Q144 N145 K152Q144-D148 WeakPolarHBondContact CG-OD2 3.46Å; Q144-D148 VanDerWaalsContact NE2-CG 3.31Å; Q144-D148 PolarHBondContact NE2-OD1 3.33Å; Q144-D148 PolarHBondContact NE2-OD2 3.46Å; Q144-D148 WeakPolarHBondContact O-CB 3.24Å; Q144-D148 PolarHBondContact O-N 3.24Å; N145-D148 PolarHBondContact O-N 3.49Å; D148-K152 WeakPolarHBondContact O-CD 3.47Å
149K94.1Very high95.2Very high126 Ų12660.4 Ų60.455%0.54829%0.292SS..Iπ-helixtrans-112-79.1179.4-62.9-174.5-175.31580111.9N145 C147 L151 K152 E153N145-K149 WeakPolarHBondContact O-CB 3.38Å; N145-K149 PolarHBondContact O-N 3.37Å; N145-K149 VanDerWaalsContact OD1-CD 3.23Å; N145-K149 WeakPolarHBondContact OD1-CD 3.31Å; N145-K149 WeakPolarHBondContact OD1-CE 3.43Å; N145-K149 PolarHBondContact OD1-NZ 2.99Å; C147-K149 PolarHBondContact O-N 2.82Å; K149-L151 PolarHBondContact O-N 3.47Å; K149-K152 PolarHBondContact O-N 3.35Å; K149-E153 WeakPolarHBondContact O-CB 3.33Å; K149-E153 PolarHBondContact O-N 3.48Å
150D94.4Very high95.2Very high71 Ų7165 Ų6538%0.3831%0.312SS..Iπ-helixtrans-64.1-49.3-165.5-52-83.4000111.8L146 K152 E153 I154L146-D150 HydrophobicContact CD1-CB 4.08Å; L146-D150 PolarHBondContact O-N 2.77Å; D150-K152 VanDerWaalsContact C-N 3.32Å; D150-K152 PolarHBondContact O-N 3.3Å; D150-E153 PolarHBondContact O-N 2.8Å; D150-I154 WeakPolarHBondContact O-CG1 3.33Å; D150-I154 PolarHBondContact O-N 3.3Å
151L95.3Very high95.2Very high4 Ų465 Ų652%0.02131%0.312CS..Iπ-helixtrans-64.7-37.6178-70.4174.3000111.9V40 L146 K149 I154 Q155 L204V40-L151 HydrophobicContact CG1-CD2 4.1Å; L146-L151 HydrophobicContact CG-CD1 4.27Å; L146-L151 HydrophobicContact CG-CG 4.41Å; L146-L151 WeakPolarHBondContact O-CB 3.39Å; L146-L151 WeakPolarHBondContact O-CG 3.45Å; L146-L151 PolarHBondContact O-N 2.89Å; K149-L151 PolarHBondContact O-N 3.47Å; L151-I154 PolarHBondContact O-N 2.98Å; L151-Q155 WeakPolarHBondContact O-CB 3.44Å; L151-Q155 VanDerWaalsContact O-CG 3.24Å; L151-Q155 WeakPolarHBondContact O-CG 3.21Å; L151-Q155 PolarHBondContact O-N 3.23Å; L151-L204 HydrophobicContact CD2-CD2 3.59Å
152K95.8Very high95.1Very high132 Ų13266 Ų6657%0.57432%0.315SS*.Hα-helixtrans-68.5-37.1177.6-167.4175.8-173.3171.70112.3C147 D148 K149 D150 H156C147-K152 PolarHBondContact O-N 3.07Å; D148-K152 WeakPolarHBondContact O-CD 3.47Å; K149-K152 PolarHBondContact O-N 3.35Å; D150-K152 VanDerWaalsContact C-N 3.32Å; D150-K152 PolarHBondContact O-N 3.3Å; K152-H156 PolarHBondContact O-N 2.98Å
153E96.8Very high95.1Very high110 Ų11064.6 Ų64.651%0.51431%0.308SS..Hα-helixtrans-67.2-45.6174.7-179.5164.7-158.700111K149 D150 Q155 H156 H157K149-E153 WeakPolarHBondContact O-CB 3.33Å; K149-E153 PolarHBondContact O-N 3.48Å; D150-E153 PolarHBondContact O-N 2.8Å; E153-Q155 PolarHBondContact O-N 3.47Å; E153-H156 WeakPolarHBondContact O-CA 3.42Å; E153-H156 VanDerWaalsContact O-CB 3.28Å; E153-H156 WeakPolarHBondContact O-CB 3.4Å; E153-H156 PolarHBondContact O-N 3.09Å; E153-H157 VanDerWaalsContact CG-NE2 3.3Å; E153-H157 WeakPolarHBondContact CG-NE2 3.43Å; E153-H157 PolarHBondContact O-CD2 2.94Å; E153-H157 PolarHBondContact O-N 3.4Å; E153-H157 IonicContact OE1-NE2 3.49Å
154I96.6Very high95.1Very high6 Ų667 Ų673%0.03132%0.316CS..Hα-helixtrans-60.5-45.6174.8-66.9162000111.2V40 D150 L151 H156 H157 L158 M201 L204V40-I154 HydrophobicContact CG1-CD1 4.44Å; V40-I154 HydrophobicContact CG1-CG2 3.95Å; D150-I154 WeakPolarHBondContact O-CG1 3.33Å; D150-I154 PolarHBondContact O-N 3.3Å; L151-I154 PolarHBondContact O-N 2.98Å; I154-H156 PolarHBondContact O-N 3.13Å; I154-H157 PolarHBondContact O-N 2.84Å; I154-H157 VanDerWaalsContact O-N 3.09Å; I154-L158 HydrophobicContact CG2-CD1 3.95Å; I154-L158 HydrophobicContact CG2-CG 4.27Å; I154-L158 WeakPolarHBondContact O-CG 3.49Å; I154-L158 PolarHBondContact O-N 3.3Å; I154-M201 HydrophobicContact CG2-CG 3.69Å; I154-L204 HydrophobicContact CD1-CB 3.85Å; I154-L204 HydrophobicContact CD1-CD2 3.47Å; I154-L204 VanDerWaalsContact CD1-CD2 3.47Å; I154-L204 HydrophobicContact CD1-CG 4.23Å
155Q96.2Very high95Very high110 Ų11065 Ų6551%0.51431%0.306SS..Hα-helixtrans-58.5-36.8174.4-75.2175.66.600112.1L151 E153 K159L151-Q155 WeakPolarHBondContact O-CB 3.44Å; L151-Q155 VanDerWaalsContact O-CG 3.24Å; L151-Q155 WeakPolarHBondContact O-CG 3.21Å; L151-Q155 PolarHBondContact O-N 3.23Å; E153-Q155 PolarHBondContact O-N 3.47Å; Q155-K159 VanDerWaalsContact O-CB 3.29Å; Q155-K159 WeakPolarHBondContact O-CB 3.35Å; Q155-K159 PolarHBondContact O-N 3.23Å
156H96.9Very high95Very high118 Ų11862.2 Ų62.255%0.54629%0.291SS..Hα-helixtrans-64.2-45.8174.1179.780.2000111.8K152 E153 I154 K159 K160K152-H156 PolarHBondContact O-N 2.98Å; E153-H156 WeakPolarHBondContact O-CA 3.42Å; E153-H156 VanDerWaalsContact O-CB 3.28Å; E153-H156 WeakPolarHBondContact O-CB 3.4Å; E153-H156 PolarHBondContact O-N 3.09Å; I154-H156 PolarHBondContact O-N 3.13Å; H156-K159 PolarHBondContact O-N 3.43Å; H156-K160 WeakPolarHBondContact O-CB 3.45Å; H156-K160 PolarHBondContact O-N 3.36Å
157H97.1Very high94.9Very high26 Ų2662 Ų6212%0.1229%0.29CS..Hα-helixtrans-62.3-46.7177.3-66.1-55000112.2E153 I154 K159 K160 L161 V196 A197E153-H157 VanDerWaalsContact CG-NE2 3.3Å; E153-H157 WeakPolarHBondContact CG-NE2 3.43Å; E153-H157 PolarHBondContact O-CD2 2.94Å; E153-H157 PolarHBondContact O-N 3.4Å; E153-H157 IonicContact OE1-NE2 3.49Å; I154-H157 PolarHBondContact O-N 2.84Å; I154-H157 VanDerWaalsContact O-N 3.09Å; H157-K159 PolarHBondContact O-N 3.02Å; H157-K160 WeakPolarHBondContact O-CB 3.2Å; H157-K160 PolarHBondContact O-N 3.01Å; H157-K160 VanDerWaalsContact O-N 3.15Å; H157-L161 WeakPolarHBondContact O-CB 3.5Å; H157-L161 PolarHBondContact O-N 2.95Å; H157-V196 VanDerWaalsContact CE1-CG1 3.44Å; H157-V196 WeakPolarHBondContact CE1-CG1 3.41Å; H157-V196 WeakPolarHBondContact ND1-CG1 3.37Å; H157-A197 HydrophobicContact CB-CB 3.97Å
158L95.7Very high94.8Very high29 Ų2961.6 Ų61.615%0.15229%0.285CS..Hα-helixtrans-60.1-45.1176.8-70.4173.5000111.8F33 E37 I154 K160 L161 E162 A197 M201F33-L158 HydrophobicContact CE1-CD2 4.08Å; F33-L158 HydrophobicContact CZ-CD2 3.86Å; E37-L158 HydrophobicContact CG-CD1 4.25Å; E37-L158 HydrophobicContact CG-CD2 4.42Å; I154-L158 HydrophobicContact CG2-CD1 3.95Å; I154-L158 HydrophobicContact CG2-CG 4.27Å; I154-L158 WeakPolarHBondContact O-CG 3.49Å; I154-L158 PolarHBondContact O-N 3.3Å; L158-K160 VanDerWaalsContact C-N 3.31Å; L158-K160 PolarHBondContact O-N 3.4Å; L158-L161 WeakPolarHBondContact O-CB 3.31Å; L158-L161 PolarHBondContact O-N 2.95Å; L158-E162 PolarHBondContact O-N 2.97Å; L158-A197 HydrophobicContact CD2-CB 4.25Å; L158-M201 HydrophobicContact CD1-SD 4.3Å; L158-M201 HydrophobicContact CD2-CE 4.25Å; L158-M201 HydrophobicContact CD2-SD 3.92Å; L158-M201 HydrophobicContact CG-SD 4.49Å
159K96.2Very high94.7Very high168 Ų16857.7 Ų57.773%0.7326%0.264SS*.Hα-helixtrans-63.3-37.4176-173.9174.2-176.2172.90112.4Q155 H156 H157 G163Q155-K159 VanDerWaalsContact O-CB 3.29Å; Q155-K159 WeakPolarHBondContact O-CB 3.35Å; Q155-K159 PolarHBondContact O-N 3.23Å; H156-K159 PolarHBondContact O-N 3.43Å; H157-K159 PolarHBondContact O-N 3.02Å; K159-G163 PolarHBondContact O-N 3.24Å; K159-G163 VanDerWaalsContact O-N 3.14Å
160K96.1Very high94.4Very high99 Ų9953.1 Ų53.143%0.4324%0.244SC..Hα-helixtrans-67.8-45.1176.4-174.1-179.9176.2-172.20110.7H156 H157 L158 G163 R164H156-K160 WeakPolarHBondContact O-CB 3.45Å; H156-K160 PolarHBondContact O-N 3.36Å; H157-K160 WeakPolarHBondContact O-CB 3.2Å; H157-K160 PolarHBondContact O-N 3.01Å; H157-K160 VanDerWaalsContact O-N 3.15Å; L158-K160 VanDerWaalsContact C-N 3.31Å; L158-K160 PolarHBondContact O-N 3.4Å; K160-G163 CarbonylContact O-C 3.57Å; K160-G163 PolarHBondContact O-N 3.49Å; K160-R164 WeakPolarHBondContact O-CG 3.48Å; K160-R164 PolarHBondContact O-N 2.62Å
161L95.4Very high94.3Very high5 Ų551.3 Ų51.33%0.02623%0.232CC..Hα-helixtrans-57.2-51.6176172.859.1000111.2F33 H157 L158 G163 R164 R165 F190 K194 A197F33-L161 HydrophobicContact CE1-CD2 4Å; F33-L161 HydrophobicContact CE2-CD2 3.97Å; F33-L161 HydrophobicContact CZ-CD2 3.32Å; H157-L161 WeakPolarHBondContact O-CB 3.5Å; H157-L161 PolarHBondContact O-N 2.95Å; L158-L161 WeakPolarHBondContact O-CB 3.31Å; L158-L161 PolarHBondContact O-N 2.95Å; L161-G163 PolarHBondContact O-N 3.48Å; L161-R164 CarbonylContact O-C 3.51Å; L161-R164 WeakPolarHBondContact O-CA 3.49Å; L161-R164 WeakPolarHBondContact O-CB 3.39Å; L161-R164 PolarHBondContact O-N 3.5Å; L161-R165 PolarHBondContact O-N 2.67Å; L161-F190 HydrophobicContact CD1-CD2 3.64Å; L161-F190 HydrophobicContact CD1-CE2 3.53Å; L161-K194 HydrophobicContact CD1-CB 3.81Å; L161-K194 HydrophobicContact CD1-CG 4.44Å; L161-K194 HydrophobicContact CD2-CB 4.45Å; L161-K194 HydrophobicContact CD2-CG 4.37Å; L161-A197 HydrophobicContact CD2-CB 4.19Å
162E93.2Very high94Very high70 Ų7056.2 Ų56.233%0.32725%0.254SS..Hα-helixtrans-58.6-41.3177.9-179.356.7-158.800111.1L158 R164 R165 L166L158-E162 PolarHBondContact O-N 2.97Å; E162-R164 VanDerWaalsContact C-N 3.26Å; E162-R164 PolarHBondContact O-N 2.94Å; E162-R165 PolarHBondContact O-N 3.43Å; E162-R165 IonicContact OE1-CZ 3.8Å; E162-R165 IonicContact OE1-NE 3.45Å; E162-R165 PolarHBondContact OE1-NE 2.92Å; E162-R165 IonicContact OE1-NH2 2.69Å; E162-R165 PolarHBondContact OE1-NH2 3Å; E162-R165 IonicContact OE2-CZ 2.96Å; E162-R165 IonicContact OE2-NE 2.94Å; E162-R165 PolarHBondContact OE2-NE 2.9Å; E162-R165 IonicContact OE2-NH2 3.63Å; E162-L166 HydrophobicContact CG-CD1 4.4Å; E162-L166 WeakPolarHBondContact O-CG 3.11Å; E162-L166 PolarHBondContact O-N 2.92Å; E162-L166 VanDerWaalsContact O-N 3.08Å
163G93.4Very high93.6Very high11 Ų1155 Ų5511%0.11325%0.248CC..Hα-helixtrans-64.8-23.3173.900000114.9K12 K159 K160 L161K12-G163 WeakPolarHBondContact CE-O 3.42Å; K12-G163 PolarHBondContact NZ-O 3.46Å; K159-G163 PolarHBondContact O-N 3.24Å; K159-G163 VanDerWaalsContact O-N 3.14Å; K160-G163 CarbonylContact O-C 3.57Å; K160-G163 PolarHBondContact O-N 3.49Å; L161-G163 PolarHBondContact O-N 3.48Å
164R94.3Very high93.1Very high58 Ų5855.5 Ų55.522%0.21925%0.246CC..Hα-helixtrans-86-39.7174-67.6-67.9-169.8-176.73.4111.5K160 L161 E162 L166 D167 F168 F190K160-R164 WeakPolarHBondContact O-CG 3.48Å; K160-R164 PolarHBondContact O-N 2.62Å; L161-R164 CarbonylContact O-C 3.51Å; L161-R164 WeakPolarHBondContact O-CA 3.49Å; L161-R164 WeakPolarHBondContact O-CB 3.39Å; L161-R164 PolarHBondContact O-N 3.5Å; E162-R164 VanDerWaalsContact C-N 3.26Å; E162-R164 PolarHBondContact O-N 2.94Å; R164-L166 VanDerWaalsContact C-N 3.35Å; R164-L166 PolarHBondContact O-N 3Å; R164-D167 WeakPolarHBondContact O-CB 3.23Å; R164-D167 PolarHBondContact O-N 2.96Å; R164-D167 VanDerWaalsContact O-N 3.16Å; R164-F168 WeakPolarHBondContact O-CB 3.28Å; R164-F168 PolarHBondContact O-N 3.45Å; R164-F190 HydrophobicContact CB-CB 4.2Å; R164-F190 HydrophobicContact CB-CD2 4.43Å
165R94.5Very high92.5Very high28 Ų2861.5 Ų61.511%0.10627%0.273CS..Hα-helixtrans-53.8-51.3173.9-169.5-171.372.785.41.2110.8E19 T27 L161 E162 D167 F168 D169 F190E19-R165 IonicContact OE1-NH1 3.08Å; E19-R165 IonicContact OE2-CZ 3.85Å; E19-R165 IonicContact OE2-NH1 3.13Å; E19-R165 PolarHBondContact OE2-NH1 3.32Å; E19-R165 VanDerWaalsContact OE2-NH1 3.11Å; E19-R165 IonicContact OE2-NH2 3.57Å; E19-R165 PolarHBondContact OE2-NH2 2.94Å; T27-R165 WeakPolarHBondContact O-CD 3.5Å; L161-R165 PolarHBondContact O-N 2.67Å; E162-R165 PolarHBondContact O-N 3.43Å; E162-R165 IonicContact OE1-CZ 3.8Å; E162-R165 IonicContact OE1-NE 3.45Å; E162-R165 PolarHBondContact OE1-NE 2.92Å; E162-R165 IonicContact OE1-NH2 2.69Å; E162-R165 PolarHBondContact OE1-NH2 3Å; E162-R165 IonicContact OE2-CZ 2.96Å; E162-R165 IonicContact OE2-NE 2.94Å; E162-R165 PolarHBondContact OE2-NE 2.9Å; E162-R165 IonicContact OE2-NH2 3.63Å; R165-D167 VanDerWaalsContact C-N 3.35Å; R165-D167 PolarHBondContact O-N 3.44Å; R165-F168 PolarHBondContact O-N 2.84Å; R165-D169 IonicContact NH1-OD2 3.76Å; R165-D169 PolarHBondContact NH1-OD2 3.4Å; R165-D169 WeakPolarHBondContact O-CB 3.4Å; R165-D169 VanDerWaalsContact O-CG 3.31Å; R165-D169 PolarHBondContact O-N 2.84Å; R165-F190 HydrophobicContact CB-CD2 3.91Å; R165-F190 HydrophobicContact CB-CE2 3.7Å; R165-F190 HydrophobicContact CG-CD2 4.45Å; R165-F190 HydrophobicContact CG-CE2 3.86Å; R165-F190 HydrophobicContact CG-CZ 4.48Å
166L91.9Very high92Very high9 Ų959.6 Ų59.65%0.04728%0.283CS..Hα-helixtrans-62.3-37.2177.9-66.5170.1000113.3K12 Q15 L16 E162 R164 Y170K12-L166 HydrophobicContact CB-CB 4.44Å; K12-L166 HydrophobicContact CG-CB 4.43Å; Q15-L166 HydrophobicContact CB-CD2 4.33Å; Q15-L166 HydrophobicContact CG-CB 4.45Å; Q15-L166 HydrophobicContact CG-CD2 3.87Å; L16-L166 HydrophobicContact CB-CD1 4.19Å; L16-L166 HydrophobicContact CB-CD2 4.21Å; L16-L166 HydrophobicContact CD1-CD1 4.08Å; E162-L166 HydrophobicContact CG-CD1 4.4Å; E162-L166 WeakPolarHBondContact O-CG 3.11Å; E162-L166 PolarHBondContact O-N 2.92Å; E162-L166 VanDerWaalsContact O-N 3.08Å; R164-L166 VanDerWaalsContact C-N 3.35Å; R164-L166 PolarHBondContact O-N 3Å; L166-Y170 VanDerWaalsContact O-CB 3.31Å; L166-Y170 WeakPolarHBondContact O-CB 3.38Å; L166-Y170 PolarHBondContact O-N 3.06Å
167D91.4Very high91.5Very high7 Ų762.7 Ų62.74%0.03730%0.295CS..Hα-helixtrans-68.4-41.9177.3-170.854.1000111.1K8 R164 R165 K171K8-D167 VanDerWaalsContact CE-CG 3.4Å; K8-D167 WeakPolarHBondContact CE-OD1 3.36Å; K8-D167 WeakPolarHBondContact CE-OD2 3.44Å; K8-D167 IonicContact NZ-OD1 3.59Å; K8-D167 IonicContact NZ-OD2 3.38Å; K8-D167 PolarHBondContact NZ-OD2 3.14Å; R164-D167 WeakPolarHBondContact O-CB 3.23Å; R164-D167 PolarHBondContact O-N 2.96Å; R164-D167 VanDerWaalsContact O-N 3.16Å; R165-D167 VanDerWaalsContact C-N 3.35Å; R165-D167 PolarHBondContact O-N 3.44Å; D167-K171 WeakPolarHBondContact O-CB 3.42Å; D167-K171 WeakPolarHBondContact O-CG 3.33Å; D167-K171 PolarHBondContact O-N 2.83Å; D167-K171 VanDerWaalsContact O-N 3.15Å
168F92.1Very high91.1Very high17 Ų1763.2 Ų63.28%0.07530%0.299CS..Hα-helixtrans-64.9-48.9175.1173.2-112.9000111.4T27 R164 R165 Y170 K171 K172 L183 A186 L187 F190T27-F168 WeakPolarHBondContact OG1-CE1 3.48Å; R164-F168 WeakPolarHBondContact O-CB 3.28Å; R164-F168 PolarHBondContact O-N 3.45Å; R165-F168 PolarHBondContact O-N 2.84Å; F168-Y170 VanDerWaalsContact C-N 3.33Å; F168-Y170 PolarHBondContact O-N 3.43Å; F168-K171 PolarHBondContact O-N 3.46Å; F168-K171 VanDerWaalsContact O-N 3.13Å; F168-K172 HydrophobicContact CE1-CD 3.96Å; F168-K172 HydrophobicContact CZ-CD 3.93Å; F168-K172 VanDerWaalsContact O-CB 3.3Å; F168-K172 WeakPolarHBondContact O-CB 3.45Å; F168-K172 PolarHBondContact O-N 2.69Å; F168-L183 HydrophobicContact CD2-CD1 4.17Å; F168-L183 HydrophobicContact CE2-CD1 3.96Å; F168-A186 HydrophobicContact CB-CB 4.47Å; F168-A186 HydrophobicContact CD2-CB 4.32Å; F168-L187 HydrophobicContact CD2-CB 3.98Å; F168-L187 HydrophobicContact CD2-CD1 4.37Å; F168-L187 HydrophobicContact CE1-CD1 4.19Å; F168-L187 HydrophobicContact CE2-CB 3.69Å; F168-L187 HydrophobicContact CE2-CD1 3.8Å; F168-L187 HydrophobicContact CE2-CG 4.25Å; F168-L187 HydrophobicContact CZ-CB 4.44Å; F168-L187 HydrophobicContact CZ-CD1 3.69Å; F168-F190 HydrophobicContact CB-CB 4.44Å
169D90.7Very high90.9Very high7 Ų765.5 Ų65.54%0.03732%0.315CS..Hα-helixtrans-62.6-40.1-179.2-72.1-22.2000112.1Q15 G26 T27 R165 K172 K173Q15-D169 HydrophobicContact CG-CB 4.2Å; G26-D169 VanDerWaalsContact CA-OD2 3.22Å; G26-D169 WeakPolarHBondContact CA-OD2 3.38Å; T27-D169 VanDerWaalsContact CB-OD1 3.31Å; T27-D169 WeakPolarHBondContact CB-OD1 3.33Å; T27-D169 PolarHBondContact N-OD1 2.89Å; T27-D169 PolarHBondContact N-OD2 2.98Å; T27-D169 PolarHBondContact OG1-OD1 3.4Å; R165-D169 IonicContact NH1-OD2 3.76Å; R165-D169 PolarHBondContact NH1-OD2 3.4Å; R165-D169 WeakPolarHBondContact O-CB 3.4Å; R165-D169 VanDerWaalsContact O-CG 3.31Å; R165-D169 PolarHBondContact O-N 2.84Å; D169-K172 PolarHBondContact O-N 3.45Å; D169-K173 WeakPolarHBondContact O-CG 3.34Å; D169-K173 PolarHBondContact O-N 3.26Å
170Y89.6Confident90.6Very high30 Ų3063.1 Ų63.112%0.11831%0.31CS..Hα-helixtrans-60.7-44.9173.7178.3-96.7000112.2Y11 L166 F168 R174Y11-Y170 AromaticContact CD1-CE1 3.88Å; Y11-Y170 HydrophobicContact CD1-CE1 3.88Å; Y11-Y170 HydrophobicContact CD1-CE2 4.29Å; Y11-Y170 AromaticContact CD1-CZ 3.62Å; Y11-Y170 WeakPolarHBondContact CD1-OH 3.28Å; Y11-Y170 HydrophobicContact CD2-CD1 4.27Å; Y11-Y170 AromaticContact CD2-CE1 3.81Å; Y11-Y170 HydrophobicContact CD2-CE1 3.81Å; Y11-Y170 HydrophobicContact CE1-CE1 4.35Å; Y11-Y170 WeakPolarHBondContact CE1-OH 3.23Å; Y11-Y170 HydrophobicContact CE2-CE1 4.27Å; Y11-Y170 HydrophobicContact CG-CD1 4.08Å; Y11-Y170 AromaticContact CG-CE1 3.6Å; Y11-Y170 HydrophobicContact CG-CE1 3.6Å; Y11-Y170 HydrophobicContact CG-CE2 4.45Å; Y11-Y170 AromaticContact CG-CZ 3.8Å; L166-Y170 VanDerWaalsContact O-CB 3.31Å; L166-Y170 WeakPolarHBondContact O-CB 3.38Å; L166-Y170 PolarHBondContact O-N 3.06Å; F168-Y170 VanDerWaalsContact C-N 3.33Å; F168-Y170 PolarHBondContact O-N 3.43Å; Y170-R174 PolarHBondContact OH-NH1 2.93Å
171K90.4Very high90.4Very high33 Ų3362.6 Ų62.614%0.14331%0.309CS..Hα-helixtrans-68.9-43.6178.5-77178.6163.3-161.30111.5D167 F168 K173 R174 Q175 I178 E182 L183 A186D167-K171 WeakPolarHBondContact O-CB 3.42Å; D167-K171 WeakPolarHBondContact O-CG 3.33Å; D167-K171 PolarHBondContact O-N 2.83Å; D167-K171 VanDerWaalsContact O-N 3.15Å; F168-K171 PolarHBondContact O-N 3.46Å; F168-K171 VanDerWaalsContact O-N 3.13Å; K171-K173 VanDerWaalsContact C-N 3.32Å; K171-K173 PolarHBondContact O-N 3.37Å; K171-R174 CarbonylContact O-C 3.51Å; K171-R174 WeakPolarHBondContact O-CA 3.49Å; K171-R174 PolarHBondContact O-N 3.06Å; K171-Q175 PolarHBondContact O-N 3.35Å; K171-I178 HydrophobicContact CB-CD1 3.52Å; K171-I178 HydrophobicContact CG-CD1 3.77Å; K171-I178 WeakPolarHBondContact O-CD1 3.41Å; K171-E182 PolarHBondContact NZ-O 3.45Å; K171-E182 IonicContact NZ-OE2 3.76Å; K171-L183 HydrophobicContact CB-CD1 3.84Å; K171-A186 HydrophobicContact CD-CB 3.59Å
172K88.8Confident90.2Very high107 Ų10766.3 Ų66.347%0.46533%0.327SS..Hα-helixtrans-56.8-43177.5-173.5-180-179.5179.60111.9F168 D169 R174 Q175 L183F168-K172 HydrophobicContact CE1-CD 3.96Å; F168-K172 HydrophobicContact CZ-CD 3.93Å; F168-K172 VanDerWaalsContact O-CB 3.3Å; F168-K172 WeakPolarHBondContact O-CB 3.45Å; F168-K172 PolarHBondContact O-N 2.69Å; D169-K172 PolarHBondContact O-N 3.45Å; K172-R174 PolarHBondContact O-N 3.18Å; K172-R174 VanDerWaalsContact O-N 3.14Å; K172-Q175 VanDerWaalsContact O-CB 3.3Å; K172-Q175 WeakPolarHBondContact O-CB 3.41Å; K172-Q175 PolarHBondContact O-N 3.01Å; K172-Q175 VanDerWaalsContact O-N 3.14Å; K172-L183 HydrophobicContact CB-CD1 4.24Å
173K88.7Confident90Very high107 Ų10764 Ų6447%0.46532%0.316SS..THydrogen-bonded Turntrans-62-19.3173.9-76.5177.9179.6169.60114.2Q15 S18 D169 K171Q15-K173 VanDerWaalsContact CD-NZ 3.34Å; S18-K173 PolarHBondContact OG-NZ 3.36Å; D169-K173 WeakPolarHBondContact O-CG 3.34Å; D169-K173 PolarHBondContact O-N 3.26Å; K171-K173 VanDerWaalsContact C-N 3.32Å; K171-K173 PolarHBondContact O-N 3.37Å
174R86.9Confident90Very high120 Ų12069.4 Ų69.445%0.45333%0.333SS..THydrogen-bonded Turntrans-107.815.3179.8-71.4-176.6156.9-152.8-1.8112.8Y170 K171 K172 G176 K177 I178Y170-R174 PolarHBondContact OH-NH1 2.93Å; K171-R174 CarbonylContact O-C 3.51Å; K171-R174 WeakPolarHBondContact O-CA 3.49Å; K171-R174 PolarHBondContact O-N 3.06Å; K172-R174 PolarHBondContact O-N 3.18Å; K172-R174 VanDerWaalsContact O-N 3.14Å; R174-G176 PolarHBondContact O-N 3.31Å; R174-K177 WeakPolarHBondContact O-CA 3.29Å; R174-K177 WeakPolarHBondContact O-CB 3.48Å; R174-K177 PolarHBondContact O-N 3.01Å; R174-I178 HydrophobicContact CB-CD1 4.19Å; R174-I178 HydrophobicContact CB-CG1 4.17Å; R174-I178 WeakPolarHBondContact O-CG1 3.45Å
175Q83.9Confident90Very high132 Ų13270 Ų7062%0.61734%0.339SS*.BIsolated β-bridgetrans-50.4132.9175.7-169.6172.51100110.6K171 K172 L183K171-Q175 PolarHBondContact O-N 3.35Å; K172-Q175 VanDerWaalsContact O-CB 3.3Å; K172-Q175 WeakPolarHBondContact O-CB 3.41Å; K172-Q175 PolarHBondContact O-N 3.01Å; K172-Q175 VanDerWaalsContact O-N 3.14Å; Q175-L183 HydrophobicContact CB-CD2 4.32Å; Q175-L183 HydrophobicContact CG-CD2 3.93Å
176G84.1Confident89.8Confident70 Ų7068.9 Ų68.972%0.72234%0.335SS*.THydrogen-bonded Turntrans87.8-14.2-171.400000115.8R174R174-G176 PolarHBondContact O-N 3.31Å
177K87.8Confident89.8Confident183 Ų18371.2 Ų71.280%0.79635%0.348SS*.THydrogen-bonded Turntrans-106.4-7.1172.3-63.2-177-179.9177.40113.8R174R174-K177 WeakPolarHBondContact O-CA 3.29Å; R174-K177 WeakPolarHBondContact O-CB 3.48Å; R174-K177 PolarHBondContact O-N 3.01Å
178I88.1Confident90Very high38 Ų3874.7 Ų74.720%0.19536%0.364CS..BIsolated β-bridgetrans-128.4151.4177.735.3169.3000109K171 R174 D180K171-I178 HydrophobicContact CB-CD1 3.52Å; K171-I178 HydrophobicContact CG-CD1 3.77Å; K171-I178 WeakPolarHBondContact O-CD1 3.41Å; R174-I178 HydrophobicContact CB-CD1 4.19Å; R174-I178 HydrophobicContact CB-CG1 4.17Å; R174-I178 WeakPolarHBondContact O-CG1 3.45Å; I178-D180 PolarHBondContact O-N 3.49Å
179P91.9Very high90.2Very high76 Ų7677.4 Ų77.449%0.49438%0.375SS..  trans-57.7136.7177.7-2232.8000111.6E181 E182 L183P179-E181 PolarHBondContact O-N 3.09Å; P179-E182 HydrophobicContact CB-CG 4.36Å; P179-E182 HydrophobicContact CG-CG 4.35Å; P179-E182 WeakPolarHBondContact O-CB 3.39Å; P179-E182 PolarHBondContact O-N 3.21Å; P179-L183 PolarHBondContact O-N 3.35Å
180D89.1Confident90.4Very high118 Ų11877.8 Ų77.863%0.63138%0.377SS*.Hα-helixtrans-58.6-33.3179.8-69.8-22.1000112.1I178 E182 L183 R184I178-D180 PolarHBondContact O-N 3.49Å; D180-E182 VanDerWaalsContact C-N 3.29Å; D180-E182 PolarHBondContact O-N 3.34Å; D180-L183 PolarHBondContact O-N 3.13Å; D180-L183 VanDerWaalsContact O-N 3.15Å; D180-R184 WeakPolarHBondContact O-CB 3.47Å; D180-R184 PolarHBondContact O-N 3.38Å
181E92.1Very high90.6Very high88 Ų8881.4 Ų81.441%0.41140%0.395SS..Hα-helixtrans-61.8-35.3175.4-176.453.7-154.900112.4P179 R184 Q185P179-E181 PolarHBondContact O-N 3.09Å; E181-R184 IonicContact OE1-CZ 3.11Å; E181-R184 IonicContact OE1-NE 3.4Å; E181-R184 IonicContact OE1-NH2 2.62Å; E181-R184 PolarHBondContact OE1-NH2 3.3Å; E181-R184 IonicContact OE2-CZ 3.72Å; E181-R184 IonicContact OE2-NE 2.7Å; E181-R184 PolarHBondContact OE2-NE 2.85Å; E181-R184 IonicContact OE2-NH2 3.59Å; E181-R184 PolarHBondContact OE2-NH2 3.07Å; E181-Q185 WeakPolarHBondContact O-CB 3.39Å; E181-Q185 VanDerWaalsContact O-CG 3.23Å; E181-Q185 WeakPolarHBondContact O-CG 3.46Å; E181-Q185 PolarHBondContact O-N 2.6Å; E181-Q185 PolarHBondContact OE1-NE2 3.33Å
182E91.1Very high90.9Very high84 Ų8484.5 Ų84.539%0.39341%0.41SS..Hα-helixtrans-71.8-30.5175.8-78.2-164-140.600113.4K171 P179 D180 A186K171-E182 PolarHBondContact NZ-O 3.45Å; K171-E182 IonicContact NZ-OE2 3.76Å; P179-E182 HydrophobicContact CB-CG 4.36Å; P179-E182 HydrophobicContact CG-CG 4.35Å; P179-E182 WeakPolarHBondContact O-CB 3.39Å; P179-E182 PolarHBondContact O-N 3.21Å; D180-E182 VanDerWaalsContact C-N 3.29Å; D180-E182 PolarHBondContact O-N 3.34Å; E182-A186 PolarHBondContact O-N 3.32Å
183L89.6Confident91.3Very high21 Ų2180 Ų8011%0.1139%0.391CS..Hα-helixtrans-74.4-44.8175.4179.961000110F168 K171 K172 Q175 P179 D180 Q185 A186 L187F168-L183 HydrophobicContact CD2-CD1 4.17Å; F168-L183 HydrophobicContact CE2-CD1 3.96Å; K171-L183 HydrophobicContact CB-CD1 3.84Å; K172-L183 HydrophobicContact CB-CD1 4.24Å; Q175-L183 HydrophobicContact CB-CD2 4.32Å; Q175-L183 HydrophobicContact CG-CD2 3.93Å; P179-L183 PolarHBondContact O-N 3.35Å; D180-L183 PolarHBondContact O-N 3.13Å; D180-L183 VanDerWaalsContact O-N 3.15Å; L183-Q185 PolarHBondContact O-N 3.38Å; L183-A186 WeakPolarHBondContact O-CB 3.45Å; L183-A186 PolarHBondContact O-N 3.35Å; L183-L187 PolarHBondContact O-N 2.84Å
184R92Very high91.7Very high124 Ų12477 Ų7747%0.46838%0.378SS..Hα-helixtrans-57-47.8175.4-165.6-172.368.969.71.5111.5D180 E181 A186 L187 E188D180-R184 WeakPolarHBondContact O-CB 3.47Å; D180-R184 PolarHBondContact O-N 3.38Å; E181-R184 IonicContact OE1-CZ 3.11Å; E181-R184 IonicContact OE1-NE 3.4Å; E181-R184 IonicContact OE1-NH2 2.62Å; E181-R184 PolarHBondContact OE1-NH2 3.3Å; E181-R184 IonicContact OE2-CZ 3.72Å; E181-R184 IonicContact OE2-NE 2.7Å; E181-R184 PolarHBondContact OE2-NE 2.85Å; E181-R184 IonicContact OE2-NH2 3.59Å; E181-R184 PolarHBondContact OE2-NH2 3.07Å; R184-A186 VanDerWaalsContact C-N 3.25Å; R184-A186 PolarHBondContact O-N 3.5Å; R184-L187 WeakPolarHBondContact O-CB 3.26Å; R184-L187 PolarHBondContact O-N 3.2Å; R184-E188 IonicContact CZ-OE2 3.98Å; R184-E188 IonicContact NH1-OE2 2.8Å; R184-E188 PolarHBondContact NH1-OE2 3.32Å; R184-E188 PolarHBondContact O-N 2.96Å
185Q94.4Very high92.1Very high72 Ų7277.5 Ų77.534%0.33639%0.386SS..Hα-helixtrans-64.7-25.9176.2-73.6176.81900114.1E181 L183 K189E181-Q185 WeakPolarHBondContact O-CB 3.39Å; E181-Q185 VanDerWaalsContact O-CG 3.23Å; E181-Q185 WeakPolarHBondContact O-CG 3.46Å; E181-Q185 PolarHBondContact O-N 2.6Å; E181-Q185 PolarHBondContact OE1-NE2 3.33Å; L183-Q185 PolarHBondContact O-N 3.38Å; Q185-K189 WeakPolarHBondContact O-CB 3.39Å; Q185-K189 WeakPolarHBondContact O-CD 3.38Å; Q185-K189 VanDerWaalsContact O-CG 3.24Å; Q185-K189 WeakPolarHBondContact O-CG 3.3Å; Q185-K189 PolarHBondContact O-N 3.27Å
186A91.9Very high92.7Very high3 Ų374.4 Ų74.43%0.02538%0.376CS..Hα-helixtrans-77-37.9176.100000111.4F168 K171 E182 L183 R184 F190F168-A186 HydrophobicContact CB-CB 4.47Å; F168-A186 HydrophobicContact CD2-CB 4.32Å; K171-A186 HydrophobicContact CD-CB 3.59Å; E182-A186 PolarHBondContact O-N 3.32Å; L183-A186 WeakPolarHBondContact O-CB 3.45Å; L183-A186 PolarHBondContact O-N 3.35Å; R184-A186 VanDerWaalsContact C-N 3.25Å; R184-A186 PolarHBondContact O-N 3.5Å; A186-F190 WeakPolarHBondContact O-CB 3.49Å; A186-F190 PolarHBondContact O-N 3.46Å; A186-F190 VanDerWaalsContact O-N 3.12Å
187L92.1Very high93.4Very high59 Ų5971 Ų7131%0.30934%0.341SS..Hα-helixtrans-63-52.1173.1179.861.3000111.2F168 L183 R184 K189 F190 E191F168-L187 HydrophobicContact CD2-CB 3.98Å; F168-L187 HydrophobicContact CD2-CD1 4.37Å; F168-L187 HydrophobicContact CE1-CD1 4.19Å; F168-L187 HydrophobicContact CE2-CB 3.69Å; F168-L187 HydrophobicContact CE2-CD1 3.8Å; F168-L187 HydrophobicContact CE2-CG 4.25Å; F168-L187 HydrophobicContact CZ-CB 4.44Å; F168-L187 HydrophobicContact CZ-CD1 3.69Å; L183-L187 PolarHBondContact O-N 2.84Å; R184-L187 WeakPolarHBondContact O-CB 3.26Å; R184-L187 PolarHBondContact O-N 3.2Å; L187-K189 VanDerWaalsContact C-N 3.31Å; L187-K189 PolarHBondContact O-N 2.77Å; L187-F190 HydrophobicContact CD1-CD1 4.44Å; L187-F190 WeakPolarHBondContact O-CA 3.45Å; L187-F190 WeakPolarHBondContact O-CB 3.47Å; L187-F190 PolarHBondContact O-N 3.36Å; L187-E191 HydrophobicContact CD1-CG 4.2Å; L187-E191 WeakPolarHBondContact CD1-OE1 3.34Å; L187-E191 HydrophobicContact CG-CG 4.49Å; L187-E191 PolarHBondContact O-N 3.38Å
188E95.4Very high93.8Very high80 Ų8065.3 Ų65.337%0.37432%0.317SS..Hα-helixtrans-54.3-47.3179.2-173.5174.4179.400111.2R184 F190 E191 E192R184-E188 IonicContact CZ-OE2 3.98Å; R184-E188 IonicContact NH1-OE2 2.8Å; R184-E188 PolarHBondContact NH1-OE2 3.32Å; R184-E188 PolarHBondContact O-N 2.96Å; E188-F190 VanDerWaalsContact C-N 3.29Å; E188-F190 PolarHBondContact O-N 3.15Å; E188-E191 PolarHBondContact O-N 2.9Å; E188-E192 WeakPolarHBondContact O-CB 3.34Å; E188-E192 VanDerWaalsContact O-CG 3.28Å; E188-E192 WeakPolarHBondContact O-CG 3.44Å; E188-E192 PolarHBondContact O-N 3.09Å
189K95.9Very high94.2Very high74 Ų7466.8 Ų66.832%0.32233%0.328SS..Hα-helixtrans-68.1-25.7177.6-71.2172.8-174.6159.50114.1Q185 L187 S193Q185-K189 WeakPolarHBondContact O-CB 3.39Å; Q185-K189 WeakPolarHBondContact O-CD 3.38Å; Q185-K189 VanDerWaalsContact O-CG 3.24Å; Q185-K189 WeakPolarHBondContact O-CG 3.3Å; Q185-K189 PolarHBondContact O-N 3.27Å; L187-K189 VanDerWaalsContact C-N 3.31Å; L187-K189 PolarHBondContact O-N 2.77Å; K189-S193 WeakPolarHBondContact O-CB 3.2Å; K189-S193 PolarHBondContact O-N 2.71Å; K189-S193 PolarHBondContact O-OG 2.71Å
190F95.3Very high94.4Very high14 Ų1464.5 Ų64.56%0.06131%0.314CS..Hα-helixtrans-74-48.9173.9164.3-105.7000110T27 L29 L161 R164 R165 F168 A186 L187 E188 S193 K194T27-F190 HydrophobicContact CG2-CE1 3.94Å; T27-F190 HydrophobicContact CG2-CZ 3.9Å; L29-F190 HydrophobicContact CD2-CE2 4.45Å; L29-F190 HydrophobicContact CD2-CZ 4.08Å; L161-F190 HydrophobicContact CD1-CD2 3.64Å; L161-F190 HydrophobicContact CD1-CE2 3.53Å; R164-F190 HydrophobicContact CB-CB 4.2Å; R164-F190 HydrophobicContact CB-CD2 4.43Å; R165-F190 HydrophobicContact CB-CD2 3.91Å; R165-F190 HydrophobicContact CB-CE2 3.7Å; R165-F190 HydrophobicContact CG-CD2 4.45Å; R165-F190 HydrophobicContact CG-CE2 3.86Å; R165-F190 HydrophobicContact CG-CZ 4.48Å; F168-F190 HydrophobicContact CB-CB 4.44Å; A186-F190 WeakPolarHBondContact O-CB 3.49Å; A186-F190 PolarHBondContact O-N 3.46Å; A186-F190 VanDerWaalsContact O-N 3.12Å; L187-F190 HydrophobicContact CD1-CD1 4.44Å; L187-F190 WeakPolarHBondContact O-CA 3.45Å; L187-F190 WeakPolarHBondContact O-CB 3.47Å; L187-F190 PolarHBondContact O-N 3.36Å; E188-F190 VanDerWaalsContact C-N 3.29Å; E188-F190 PolarHBondContact O-N 3.15Å; F190-S193 PolarHBondContact O-N 3.29Å; F190-K194 PolarHBondContact O-N 3.46Å
191E94.1Very high94.8Very high107 Ų10758.9 Ų58.950%0.528%0.284SS..Hα-helixtrans-59.9-49177.6-70.3174171.400111.6L187 E188 S193 K194 E195L187-E191 HydrophobicContact CD1-CG 4.2Å; L187-E191 WeakPolarHBondContact CD1-OE1 3.34Å; L187-E191 HydrophobicContact CG-CG 4.49Å; L187-E191 PolarHBondContact O-N 3.38Å; E188-E191 PolarHBondContact O-N 2.9Å; E191-S193 VanDerWaalsContact C-N 3.29Å; E191-S193 PolarHBondContact O-N 3.43Å; E191-K194 WeakPolarHBondContact O-CA 3.15Å; E191-K194 WeakPolarHBondContact O-CB 3.45Å; E191-K194 PolarHBondContact O-N 3.26Å; E191-E195 PolarHBondContact O-N 2.96Å
192E96.6Very high95Very high98 Ų9859 Ų5946%0.45829%0.285SS..Hα-helixtrans-56.4-41.8174.5-73.6172.7174.600112.3E188 K194 V196E188-E192 WeakPolarHBondContact O-CB 3.34Å; E188-E192 VanDerWaalsContact O-CG 3.28Å; E188-E192 WeakPolarHBondContact O-CG 3.44Å; E188-E192 PolarHBondContact O-N 3.09Å; E192-K194 VanDerWaalsContact C-N 3.29Å; E192-K194 PolarHBondContact O-N 2.77Å; E192-V196 VanDerWaalsContact O-CG2 3.28Å; E192-V196 WeakPolarHBondContact O-CG2 3.26Å; E192-V196 PolarHBondContact O-N 3.2Å
193S96.8Very high95.2Very high11 Ų1159.3 Ų59.38%0.07729%0.289CS..Hα-helixtrans-73-27.2180-59.40000111.8K189 F190 E191 A197K189-S193 WeakPolarHBondContact O-CB 3.2Å; K189-S193 PolarHBondContact O-N 2.71Å; K189-S193 PolarHBondContact O-OG 2.71Å; F190-S193 PolarHBondContact O-N 3.29Å; E191-S193 VanDerWaalsContact C-N 3.29Å; E191-S193 PolarHBondContact O-N 3.43Å; S193-A197 WeakPolarHBondContact O-CB 3.24Å; S193-A197 PolarHBondContact O-N 3.36Å
194K95.8Very high95.4Very high45 Ų4558.9 Ų58.920%0.19629%0.287CS..Hα-helixtrans-70.4-51.7176-170.8-159.1174.2-147.50109.4L29 D30 F33 L161 F190 E191 E192 V196 A197 E198L29-K194 HydrophobicContact CD2-CD 4.26Å; L29-K194 HydrophobicContact CD2-CG 4.26Å; D30-K194 VanDerWaalsContact OD2-CE 3.28Å; D30-K194 WeakPolarHBondContact OD2-CE 3.47Å; D30-K194 IonicContact OD2-NZ 3.62Å; D30-K194 PolarHBondContact OD2-NZ 3.22Å; F33-K194 HydrophobicContact CD2-CG 4.19Å; F33-K194 HydrophobicContact CE2-CG 3.96Å; L161-K194 HydrophobicContact CD1-CB 3.81Å; L161-K194 HydrophobicContact CD1-CG 4.44Å; L161-K194 HydrophobicContact CD2-CB 4.45Å; L161-K194 HydrophobicContact CD2-CG 4.37Å; F190-K194 PolarHBondContact O-N 3.46Å; E191-K194 WeakPolarHBondContact O-CA 3.15Å; E191-K194 WeakPolarHBondContact O-CB 3.45Å; E191-K194 PolarHBondContact O-N 3.26Å; E192-K194 VanDerWaalsContact C-N 3.29Å; E192-K194 PolarHBondContact O-N 2.77Å; K194-V196 VanDerWaalsContact C-N 3.3Å; K194-V196 PolarHBondContact O-N 3.21Å; K194-A197 PolarHBondContact O-N 3.44Å; K194-A197 VanDerWaalsContact O-N 3.13Å; K194-E198 WeakPolarHBondContact CE-OE2 3.14Å; K194-E198 IonicContact NZ-OE2 3.28Å; K194-E198 PolarHBondContact NZ-OE2 2.9Å; K194-E198 VanDerWaalsContact O-CB 3.25Å; K194-E198 WeakPolarHBondContact O-CB 3.42Å; K194-E198 PolarHBondContact O-N 3.08Å
195E96Very high95.5Very high131 Ų13154.9 Ų54.961%0.61227%0.274SS*.Hα-helixtrans-56.9-43.3-179.9-175-179.1-178.900112E191 E198 T199E191-E195 PolarHBondContact O-N 2.96Å; E195-E198 PolarHBondContact O-N 3.1Å; E195-T199 VanDerWaalsContact O-CB 3.32Å; E195-T199 WeakPolarHBondContact O-CB 3.39Å; E195-T199 PolarHBondContact O-N 2.97Å; E195-T199 PolarHBondContact O-OG1 3.24Å
196V97.4Very high95.4Very high66 Ų6657.8 Ų57.840%0.429%0.288SS..Hα-helixtrans-64.1-47.2176.5174.20000111.3H157 E192 K194 E198 S200H157-V196 VanDerWaalsContact CE1-CG1 3.44Å; H157-V196 WeakPolarHBondContact CE1-CG1 3.41Å; H157-V196 WeakPolarHBondContact ND1-CG1 3.37Å; E192-V196 VanDerWaalsContact O-CG2 3.28Å; E192-V196 WeakPolarHBondContact O-CG2 3.26Å; E192-V196 PolarHBondContact O-N 3.2Å; K194-V196 VanDerWaalsContact C-N 3.3Å; K194-V196 PolarHBondContact O-N 3.21Å; V196-E198 VanDerWaalsContact C-N 3.34Å; V196-E198 PolarHBondContact O-N 3.37Å; V196-S200 WeakPolarHBondContact O-CB 3.38Å; V196-S200 PolarHBondContact O-N 3.32Å; V196-S200 PolarHBondContact O-OG 3.18Å
197A96.9Very high95.3Very high0 Ų060.3 Ų60.30%030%0.303CS..Hα-helixtrans-62.9-43178.500000111.7F33 H157 L158 L161 S193 K194 S200 M201F33-A197 HydrophobicContact CE2-CB 4.31Å; F33-A197 HydrophobicContact CZ-CB 4.17Å; H157-A197 HydrophobicContact CB-CB 3.97Å; L158-A197 HydrophobicContact CD2-CB 4.25Å; L161-A197 HydrophobicContact CD2-CB 4.19Å; S193-A197 WeakPolarHBondContact O-CB 3.24Å; S193-A197 PolarHBondContact O-N 3.36Å; K194-A197 PolarHBondContact O-N 3.44Å; K194-A197 VanDerWaalsContact O-N 3.13Å; A197-S200 PolarHBondContact O-N 3.16Å; A197-M201 WeakPolarHBondContact O-CB 3.46Å; A197-M201 VanDerWaalsContact O-CG 3.27Å; A197-M201 WeakPolarHBondContact O-CG 3.5Å; A197-M201 PolarHBondContact O-N 3.3Å
198E96.2Very high95Very high62 Ų6262.1 Ų62.129%0.2931%0.313SS..Hα-helixtrans-62-49179.5-165.5171.2164.200111.3F33 M36 K194 E195 V196 S200 M201 H202F33-E198 HydrophobicContact CD2-CB 4.05Å; F33-E198 HydrophobicContact CD2-CG 4.07Å; F33-E198 HydrophobicContact CE2-CB 3.97Å; F33-E198 HydrophobicContact CE2-CG 4.47Å; M36-E198 HydrophobicContact CE-CG 3.67Å; K194-E198 WeakPolarHBondContact CE-OE2 3.14Å; K194-E198 IonicContact NZ-OE2 3.28Å; K194-E198 PolarHBondContact NZ-OE2 2.9Å; K194-E198 VanDerWaalsContact O-CB 3.25Å; K194-E198 WeakPolarHBondContact O-CB 3.42Å; K194-E198 PolarHBondContact O-N 3.08Å; E195-E198 PolarHBondContact O-N 3.1Å; V196-E198 VanDerWaalsContact C-N 3.34Å; V196-E198 PolarHBondContact O-N 3.37Å; E198-S200 PolarHBondContact O-N 3.05Å; E198-M201 PolarHBondContact O-N 3.07Å; E198-H202 VanDerWaalsContact O-CB 3.32Å; E198-H202 WeakPolarHBondContact O-CB 3.44Å; E198-H202 PolarHBondContact O-N 3.47Å
199T96.6Very high94.9Very high70 Ų7064.1 Ų64.143%0.42933%0.325SS..Hα-helixtrans-61.6-44177.4-55.70000111.6E195 H202 N203E195-T199 VanDerWaalsContact O-CB 3.32Å; E195-T199 WeakPolarHBondContact O-CB 3.39Å; E195-T199 PolarHBondContact O-N 2.97Å; E195-T199 PolarHBondContact O-OG1 3.24Å; T199-H202 PolarHBondContact O-N 2.95Å; T199-N203 WeakPolarHBondContact O-CB 3.35Å; T199-N203 PolarHBondContact O-N 3.09Å; T199-N203 PolarHBondContact O-ND2 3.22Å; T199-N203 PolarHBondContact O-OD1 2.89Å
200S96.8Very high94.6Very high28 Ų2865.9 Ų65.920%0.19633%0.334CS..Hα-helixtrans-64.6-41.8178.1-62.20000112.4V196 A197 E198 L204V196-S200 WeakPolarHBondContact O-CB 3.38Å; V196-S200 PolarHBondContact O-N 3.32Å; V196-S200 PolarHBondContact O-OG 3.18Å; A197-S200 PolarHBondContact O-N 3.16Å; E198-S200 PolarHBondContact O-N 3.05Å; S200-L204 PolarHBondContact O-N 3.49Å
201M97.1Very high94.4Very high0 Ų066.6 Ų66.60%034%0.338CS..Hα-helixtrans-65.4-44.4176.1-71-171-60.100111.7F33 M36 E37 V40 I154 L158 A197 E198 L204 L205F33-M201 HydrophobicContact CD1-CE 4.21Å; F33-M201 HydrophobicContact CD2-CE 3.9Å; F33-M201 HydrophobicContact CE1-CE 3.81Å; F33-M201 HydrophobicContact CE2-CE 3.49Å; F33-M201 VanDerWaalsContact CE2-CE 3.49Å; F33-M201 HydrophobicContact CG-CE 4.25Å; F33-M201 HydrophobicContact CZ-CE 3.42Å; F33-M201 VanDerWaalsContact CZ-CE 3.42Å; M36-M201 HydrophobicContact CB-CB 4.31Å; M36-M201 HydrophobicContact CB-CE 4.12Å; M36-M201 HydrophobicContact CB-SD 4.35Å; E37-M201 VanDerWaalsContact CA-SD 3.58Å; E37-M201 HydrophobicContact CB-SD 4.06Å; V40-M201 HydrophobicContact CG2-CB 3.99Å; V40-M201 HydrophobicContact CG2-CG 3.9Å; V40-M201 HydrophobicContact CG2-SD 4.38Å; I154-M201 HydrophobicContact CG2-CG 3.69Å; L158-M201 HydrophobicContact CD1-SD 4.3Å; L158-M201 HydrophobicContact CD2-CE 4.25Å; L158-M201 HydrophobicContact CD2-SD 3.92Å; L158-M201 HydrophobicContact CG-SD 4.49Å; A197-M201 WeakPolarHBondContact O-CB 3.46Å; A197-M201 VanDerWaalsContact O-CG 3.27Å; A197-M201 WeakPolarHBondContact O-CG 3.5Å; A197-M201 PolarHBondContact O-N 3.3Å; E198-M201 PolarHBondContact O-N 3.07Å; M201-L204 PolarHBondContact O-N 3.2Å; M201-L205 VanDerWaalsContact O-CG 3.32Å; M201-L205 WeakPolarHBondContact O-CG 3.44Å; M201-L205 PolarHBondContact O-N 3.02Å; M201-L205 VanDerWaalsContact O-N 3.11Å
202H96.3Very high94.4Very high91 Ų9166 Ų6642%0.42134%0.341SS..Hα-helixtrans-59.3-48.4177.7179.2-83.1000111.4M36 E198 T199 L204 L205 E206M36-H202 HydrophobicContact SD-CB 4.24Å; E198-H202 VanDerWaalsContact O-CB 3.32Å; E198-H202 WeakPolarHBondContact O-CB 3.44Å; E198-H202 PolarHBondContact O-N 3.47Å; T199-H202 PolarHBondContact O-N 2.95Å; H202-L204 VanDerWaalsContact C-N 3.33Å; H202-L204 PolarHBondContact O-N 3.3Å; H202-L205 PolarHBondContact O-N 3.37Å; H202-L205 VanDerWaalsContact O-N 3.13Å; H202-E206 WeakPolarHBondContact CE1-CG 3.5Å; H202-E206 WeakPolarHBondContact O-CG 3.07Å; H202-E206 PolarHBondContact O-N 3.26Å
203N95Very high94.3Very high89 Ų8965 Ų6548%0.47635%0.345SS..Hα-helixtrans-58.2-44.2179.1-70.2-15.2000112.2T199 L205 E206 T207T199-N203 WeakPolarHBondContact O-CB 3.35Å; T199-N203 PolarHBondContact O-N 3.09Å; T199-N203 PolarHBondContact O-ND2 3.22Å; T199-N203 PolarHBondContact O-OD1 2.89Å; N203-L205 VanDerWaalsContact C-N 3.32Å; N203-L205 PolarHBondContact O-N 2.85Å; N203-E206 PolarHBondContact O-N 3.18Å; N203-T207 WeakPolarHBondContact O-CG2 3.41Å; N203-T207 PolarHBondContact O-N 3.24Å; N203-T207 VanDerWaalsContact O-N 3.15Å; N203-T207 PolarHBondContact O-OG1 3.36Å; N203-T207 VanDerWaalsContact O-OG1 3.06Å
204L94.5Very high94.2Very high13 Ų1365.7 Ų65.77%0.06835%0.347CS..Hα-helixtrans-60.5-42.2176.9173.466.8000112.1V40 L146 L151 I154 S200 M201 H202 T207V40-L204 HydrophobicContact CG1-CD2 3.95Å; V40-L204 HydrophobicContact CG2-CD2 3.98Å; L146-L204 HydrophobicContact CD1-CD1 3.73Å; L151-L204 HydrophobicContact CD2-CD2 3.59Å; I154-L204 HydrophobicContact CD1-CB 3.85Å; I154-L204 HydrophobicContact CD1-CD2 3.47Å; I154-L204 VanDerWaalsContact CD1-CD2 3.47Å; I154-L204 HydrophobicContact CD1-CG 4.23Å; S200-L204 PolarHBondContact O-N 3.49Å; M201-L204 PolarHBondContact O-N 3.2Å; H202-L204 VanDerWaalsContact C-N 3.33Å; H202-L204 PolarHBondContact O-N 3.3Å; L204-T207 PolarHBondContact O-OG1 3.14Å
205L93.6Very high94.3Very high40 Ų4067.9 Ų67.921%0.20936%0.361CS..Hα-helixtrans-75.1-29.2-177.4-66.2175.8000112.7M36 K39 V40 M201 H202 N203 D208M36-L205 HydrophobicContact CB-CD1 4.09Å; M36-L205 HydrophobicContact CG-CD1 3.95Å; K39-L205 HydrophobicContact CB-CD1 4Å; K39-L205 HydrophobicContact CB-CD2 3.8Å; K39-L205 HydrophobicContact CD-CD1 4.19Å; V40-L205 HydrophobicContact CG2-CD1 4.32Å; V40-L205 HydrophobicContact CG2-CD2 4.25Å; V40-L205 HydrophobicContact CG2-CG 4.19Å; M201-L205 VanDerWaalsContact O-CG 3.32Å; M201-L205 WeakPolarHBondContact O-CG 3.44Å; M201-L205 PolarHBondContact O-N 3.02Å; M201-L205 VanDerWaalsContact O-N 3.11Å; H202-L205 PolarHBondContact O-N 3.37Å; H202-L205 VanDerWaalsContact O-N 3.13Å; N203-L205 VanDerWaalsContact C-N 3.32Å; N203-L205 PolarHBondContact O-N 2.85Å; L205-D208 WeakPolarHBondContact O-CB 3.48Å
206E92.7Very high94.3Very high132 Ų13264.6 Ų64.662%0.61735%0.352SS*.Hα-helixtrans-75.5-25.5174.3-76.2-67.313600112.8H202 N203 D208H202-E206 WeakPolarHBondContact CE1-CG 3.5Å; H202-E206 WeakPolarHBondContact O-CG 3.07Å; H202-E206 PolarHBondContact O-N 3.26Å; N203-E206 PolarHBondContact O-N 3.18Å; E206-D208 VanDerWaalsContact C-N 3.27Å; E206-D208 PolarHBondContact O-N 3.17Å
207T89.4Confident94.3Very high56 Ų5662.8 Ų62.834%0.34434%0.344SS..THydrogen-bonded Turntrans-90.521.7175.958.90000113N203 L204 I209 E210 Q211N203-T207 WeakPolarHBondContact O-CG2 3.41Å; N203-T207 PolarHBondContact O-N 3.24Å; N203-T207 VanDerWaalsContact O-N 3.15Å; N203-T207 PolarHBondContact O-OG1 3.36Å; N203-T207 VanDerWaalsContact O-OG1 3.06Å; L204-T207 PolarHBondContact O-OG1 3.14Å; T207-I209 PolarHBondContact O-N 3.03Å; T207-I209 VanDerWaalsContact O-N 3.12Å; T207-E210 WeakPolarHBondContact O-CB 3.38Å; T207-E210 PolarHBondContact O-N 2.87Å; T207-Q211 PolarHBondContact O-OE1 2.92Å; T207-Q211 VanDerWaalsContact O-OE1 3.05Å
208D87.3Confident94.4Very high98 Ų9863.8 Ų63.852%0.52435%0.35SS..THydrogen-bonded Turntrans-61.3-21.8-176.872.4-14.6000114L205 E206 E210 Q211 V212L205-D208 WeakPolarHBondContact O-CB 3.48Å; E206-D208 VanDerWaalsContact C-N 3.27Å; E206-D208 PolarHBondContact O-N 3.17Å; D208-E210 PolarHBondContact O-N 3.09Å; D208-Q211 VanDerWaalsContact C-OE1 3.31Å; D208-Q211 PolarHBondContact O-N 3.33Å; D208-Q211 VanDerWaalsContact O-N 3.14Å; D208-Q211 PolarHBondContact O-OE1 3Å; D208-V212 PolarHBondContact O-N 3.44Å
209I91.8Very high94.5Very high122 Ų12264.3 Ų64.363%0.62636%0.357SS*.Hα-helixtrans-59.2-29.6173.8-166.5165.9000112.7T207 Q211 V212 S213T207-I209 PolarHBondContact O-N 3.03Å; T207-I209 VanDerWaalsContact O-N 3.12Å; I209-Q211 VanDerWaalsContact C-N 3.34Å; I209-V212 PolarHBondContact O-N 3.25Å; I209-S213 PolarHBondContact O-N 3.4Å
210E90.4Very high94.6Very high111 Ų11165.2 Ų65.252%0.51936%0.359SS..Hα-helixtrans-65.7-39.4176.6-64.4-171.8174.600111.1T207 D208 S213 Q214T207-E210 WeakPolarHBondContact O-CB 3.38Å; T207-E210 PolarHBondContact O-N 2.87Å; D208-E210 PolarHBondContact O-N 3.09Å; E210-S213 WeakPolarHBondContact O-CB 3.44Å; E210-S213 PolarHBondContact O-N 2.9Å; E210-Q214 VanDerWaalsContact O-CG 3.24Å; E210-Q214 WeakPolarHBondContact O-CG 3.09Å; E210-Q214 PolarHBondContact O-N 3Å
211Q90.9Very high94.6Very high29 Ų2964.1 Ų64.114%0.13635%0.351CS..Hα-helixtrans-68.4-36.2176.4-68.673.521.700111.6L146 T207 D208 I209 Q214 L215L146-Q211 HydrophobicContact CD2-CG 4.01Å; T207-Q211 PolarHBondContact O-OE1 2.92Å; T207-Q211 VanDerWaalsContact O-OE1 3.05Å; D208-Q211 VanDerWaalsContact C-OE1 3.31Å; D208-Q211 PolarHBondContact O-N 3.33Å; D208-Q211 VanDerWaalsContact O-N 3.14Å; D208-Q211 PolarHBondContact O-OE1 3Å; I209-Q211 VanDerWaalsContact C-N 3.34Å; Q211-Q214 PolarHBondContact O-N 3.18Å; Q211-L215 PolarHBondContact O-N 3.22Å
212V94.3Very high94.7Very high93 Ų9366.5 Ų66.556%0.56436%0.363SS*.Hα-helixtrans-63.8-42.7172.5-1800000110.8D208 I209 Q214 L215 S216D208-V212 PolarHBondContact O-N 3.44Å; I209-V212 PolarHBondContact O-N 3.25Å; V212-Q214 VanDerWaalsContact C-N 3.31Å; V212-Q214 PolarHBondContact O-N 3.15Å; V212-L215 PolarHBondContact O-N 2.87Å; V212-S216 PolarHBondContact O-N 3.01Å
213S95.3Very high94.8Very high79 Ų7965.5 Ų65.555%0.55236%0.36SS*.Hα-helixtrans-61.9-38.5175.8-172.80000112.3I209 E210 S216 A217I209-S213 PolarHBondContact O-N 3.4Å; E210-S213 WeakPolarHBondContact O-CB 3.44Å; E210-S213 PolarHBondContact O-N 2.9Å; S213-S216 WeakPolarHBondContact O-CB 3.24Å; S213-S216 PolarHBondContact O-N 3.45Å; S213-A217 PolarHBondContact O-N 3.41Å; S213-A217 VanDerWaalsContact O-N 3.09Å
214Q94.3Very high94.9Very high25 Ų2564.1 Ų64.112%0.11735%0.353CS..Hα-helixtrans-63.6-44175.8-69.5155.55.300110.8F139 P142 E210 Q211 V212 S216 A217 L218F139-Q214 HydrophobicContact CD2-CB 4.11Å; F139-Q214 WeakPolarHBondContact CD2-O 3.47Å; F139-Q214 HydrophobicContact CE2-CB 4.44Å; P142-Q214 HydrophobicContact CB-CG 4.18Å; E210-Q214 VanDerWaalsContact O-CG 3.24Å; E210-Q214 WeakPolarHBondContact O-CG 3.09Å; E210-Q214 PolarHBondContact O-N 3Å; Q211-Q214 PolarHBondContact O-N 3.18Å; V212-Q214 VanDerWaalsContact C-N 3.31Å; V212-Q214 PolarHBondContact O-N 3.15Å; Q214-S216 VanDerWaalsContact C-N 3.31Å; Q214-S216 PolarHBondContact O-N 3.42Å; Q214-A217 WeakPolarHBondContact O-CB 3.49Å; Q214-A217 PolarHBondContact O-N 3.18Å; Q214-A217 VanDerWaalsContact O-N 3.12Å; Q214-L218 PolarHBondContact O-N 3.38Å; Q214-L218 VanDerWaalsContact O-N 3.13Å
215L97.3Very high95.1Very high91 Ų9165.2 Ų65.248%0.47636%0.356SS..Hα-helixtrans-60.3-39.5174.6-72.5170.2000112.5F139 Q211 V212 A217 L218 V219F139-L215 HydrophobicContact CE2-CD2 3.97Å; F139-L215 HydrophobicContact CZ-CD2 4.27Å; Q211-L215 PolarHBondContact O-N 3.22Å; V212-L215 PolarHBondContact O-N 2.87Å; L215-A217 VanDerWaalsContact C-N 3.32Å; L215-A217 PolarHBondContact O-N 2.8Å; L215-L218 PolarHBondContact O-N 3Å; L215-V219 WeakPolarHBondContact O-CG2 3.47Å; L215-V219 PolarHBondContact O-N 2.7Å
216S97.4Very high95.4Very high61 Ų6168 Ų6843%0.42737%0.368SS..Hα-helixtrans-58.6-45.6173.2-166.40000111.2V212 S213 Q214 L218 V219 D220V212-S216 PolarHBondContact O-N 3.01Å; S213-S216 WeakPolarHBondContact O-CB 3.24Å; S213-S216 PolarHBondContact O-N 3.45Å; Q214-S216 VanDerWaalsContact C-N 3.31Å; Q214-S216 PolarHBondContact O-N 3.42Å; S216-L218 VanDerWaalsContact C-N 3.29Å; S216-L218 PolarHBondContact O-N 3.34Å; S216-V219 PolarHBondContact O-N 3.49Å; S216-V219 VanDerWaalsContact O-N 3.09Å; S216-D220 WeakPolarHBondContact O-CB 3.27Å; S216-D220 PolarHBondContact O-N 2.91Å; S216-D220 PolarHBondContact OG-OD2 2.95Å
217A97Very high95.7Very high29 Ų2969.6 Ų69.624%0.2437%0.368CS..Hα-helixtrans-60.9-36.4179.800000113N138 S213 Q214 L215 A221N138-A217 HydrophobicContact CB-CB 4.02Å; S213-A217 PolarHBondContact O-N 3.41Å; S213-A217 VanDerWaalsContact O-N 3.09Å; Q214-A217 WeakPolarHBondContact O-CB 3.49Å; Q214-A217 PolarHBondContact O-N 3.18Å; Q214-A217 VanDerWaalsContact O-N 3.12Å; L215-A217 VanDerWaalsContact C-N 3.32Å; L215-A217 PolarHBondContact O-N 2.8Å; A217-A221 WeakPolarHBondContact O-CB 3.14Å; A217-A221 PolarHBondContact O-N 3.5Å; A217-A221 VanDerWaalsContact O-N 3.09Å
218L98.1Very high96.1Very high21 Ų2170.2 Ų70.211%0.1137%0.367CS..Hα-helixtrans-62-48.1172.6173.563.4000111.4T54 V135 F139 Q214 L215 S216 A221 Q222T54-L218 HydrophobicContact CG2-CD1 4.09Å; V135-L218 HydrophobicContact CB-CD1 4.47Å; V135-L218 HydrophobicContact CG1-CD1 3.67Å; V135-L218 HydrophobicContact CG2-CD1 3.89Å; F139-L218 HydrophobicContact CB-CB 4.4Å; F139-L218 HydrophobicContact CD1-CB 4.43Å; F139-L218 HydrophobicContact CD1-CD1 4.36Å; F139-L218 HydrophobicContact CD1-CD2 4.33Å; F139-L218 HydrophobicContact CD2-CB 3.81Å; F139-L218 HydrophobicContact CE1-CD2 3.93Å; F139-L218 HydrophobicContact CE2-CB 4.1Å; F139-L218 HydrophobicContact CE2-CD2 4.16Å; F139-L218 HydrophobicContact CG-CB 3.96Å; F139-L218 HydrophobicContact CZ-CD2 3.81Å; Q214-L218 PolarHBondContact O-N 3.38Å; Q214-L218 VanDerWaalsContact O-N 3.13Å; L215-L218 PolarHBondContact O-N 3Å; S216-L218 VanDerWaalsContact C-N 3.29Å; S216-L218 PolarHBondContact O-N 3.34Å; L218-A221 PolarHBondContact O-N 2.86Å; L218-Q222 HydrophobicContact CD1-CG 4.41Å; L218-Q222 WeakPolarHBondContact O-CG 3.19Å; L218-Q222 PolarHBondContact O-N 3.12Å; L218-Q222 VanDerWaalsContact O-N 3.08Å
219V98.4Very high96.6Very high73 Ų7366 Ų6644%0.44235%0.346SS..Hα-helixtrans-65.5-42.4-1791740000111.1L215 S216 Q222 L223L215-V219 WeakPolarHBondContact O-CG2 3.47Å; L215-V219 PolarHBondContact O-N 2.7Å; S216-V219 PolarHBondContact O-N 3.49Å; S216-V219 VanDerWaalsContact O-N 3.09Å; V219-Q222 PolarHBondContact O-N 3.14Å; V219-L223 HydrophobicContact CG1-CD1 3.95Å; V219-L223 HydrophobicContact CG1-CG 4.26Å; V219-L223 WeakPolarHBondContact O-CB 3.41Å; V219-L223 WeakPolarHBondContact O-CG 3.36Å; V219-L223 PolarHBondContact O-N 2.88Å
220D98.3Very high96.9Very high88 Ų8863.8 Ų63.847%0.47134%0.338SS..Hα-helixtrans-62.9-43.4179.2-71.6-37.8000111.5S216 Q222 L223 D224S216-D220 WeakPolarHBondContact O-CB 3.27Å; S216-D220 PolarHBondContact O-N 2.91Å; S216-D220 PolarHBondContact OG-OD2 2.95Å; D220-Q222 PolarHBondContact O-N 3.38Å; D220-L223 PolarHBondContact O-N 3.21Å; D220-D224 WeakPolarHBondContact O-CB 3.14Å; D220-D224 PolarHBondContact O-N 3.42Å
221A97.8Very high97.3Very high5 Ų563.8 Ų63.84%0.04134%0.338CS..Hα-helixtrans-62.4-42.5175.100000112.1L131 E134 V135 A217 L218 D224 Y225L131-A221 HydrophobicContact CD1-CB 4.15Å; E134-A221 HydrophobicContact CB-CB 4.08Å; V135-A221 HydrophobicContact CG2-CB 3.82Å; A217-A221 WeakPolarHBondContact O-CB 3.14Å; A217-A221 PolarHBondContact O-N 3.5Å; A217-A221 VanDerWaalsContact O-N 3.09Å; L218-A221 PolarHBondContact O-N 2.86Å; A221-D224 PolarHBondContact O-N 2.9Å; A221-Y225 WeakPolarHBondContact O-CB 3.35Å; A221-Y225 PolarHBondContact O-N 3.41Å
222Q98.4Very high97.7Very high50 Ų5063.2 Ų63.223%0.23434%0.336CS..Hα-helixtrans-65.2-41.6176-72.7176.2-24.700112.3Y57 L131 L218 V219 D220 H226Y57-Q222 VanDerWaalsContact CE1-NE2 3.33Å; L131-Q222 HydrophobicContact CD1-CG 4.27Å; L218-Q222 HydrophobicContact CD1-CG 4.41Å; L218-Q222 WeakPolarHBondContact O-CG 3.19Å; L218-Q222 PolarHBondContact O-N 3.12Å; L218-Q222 VanDerWaalsContact O-N 3.08Å; V219-Q222 PolarHBondContact O-N 3.14Å; D220-Q222 PolarHBondContact O-N 3.38Å; Q222-H226 PolarHBondContact O-CD2 3.26Å; Q222-H226 PolarHBondContact O-N 2.87Å
223L98.6Very high97.9Very high71 Ų7162.8 Ų62.837%0.37233%0.33SS..Hα-helixtrans-62.3-44.9177-78.9173.5000111.4V219 D220 H226 R227V219-L223 HydrophobicContact CG1-CD1 3.95Å; V219-L223 HydrophobicContact CG1-CG 4.26Å; V219-L223 WeakPolarHBondContact O-CB 3.41Å; V219-L223 WeakPolarHBondContact O-CG 3.36Å; V219-L223 PolarHBondContact O-N 2.88Å; D220-L223 PolarHBondContact O-N 3.21Å; L223-H226 PolarHBondContact O-N 3.41Å; L223-R227 WeakPolarHBondContact O-CB 3.47Å; L223-R227 VanDerWaalsContact O-CG 3.23Å; L223-R227 WeakPolarHBondContact O-CG 3.38Å; L223-R227 PolarHBondContact O-N 3.04Å
224D98.2Very high98.1Very high60 Ų6064.8 Ų64.832%0.32133%0.331SS..Hα-helixtrans-64.4-46.6179.1-168.863.5000111.7D220 A221 H226 R227 Q228D220-D224 WeakPolarHBondContact O-CB 3.14Å; D220-D224 PolarHBondContact O-N 3.42Å; A221-D224 PolarHBondContact O-N 2.9Å; D224-H226 VanDerWaalsContact C-N 3.35Å; D224-H226 PolarHBondContact O-N 3.45Å; D224-R227 PolarHBondContact O-N 2.92Å; D224-Q228 WeakPolarHBondContact O-CG 3.29Å; D224-Q228 PolarHBondContact O-N 3.06Å; D224-Q228 PolarHBondContact OD2-NE2 2.97Å
225Y98.4Very high98.3Very high35 Ų3567.6 Ų67.614%0.13734%0.344CS..Hα-helixtrans-51.1-52.2172.5166-101.2000112.1V127 K128 L131 A221 Q228 A229V127-Y225 HydrophobicContact CB-CD2 4.47Å; V127-Y225 HydrophobicContact CG1-CD2 3.71Å; V127-Y225 HydrophobicContact CG1-CE2 4.3Å; V127-Y225 HydrophobicContact CG1-CG 4.47Å; K128-Y225 HydrophobicContact CB-CE2 3.94Å; K128-Y225 HydrophobicContact CD-CE2 3.92Å; L131-Y225 HydrophobicContact CB-CD2 3.85Å; L131-Y225 HydrophobicContact CB-CG 4.1Å; L131-Y225 HydrophobicContact CD1-CG 4.43Å; L131-Y225 HydrophobicContact CD2-CD1 3.92Å; L131-Y225 HydrophobicContact CD2-CD2 3.93Å; L131-Y225 HydrophobicContact CD2-CE1 4.32Å; L131-Y225 HydrophobicContact CD2-CE2 4.38Å; L131-Y225 HydrophobicContact CD2-CG 3.73Å; L131-Y225 HydrophobicContact CG-CD2 4.44Å; L131-Y225 HydrophobicContact CG-CG 4.29Å; A221-Y225 WeakPolarHBondContact O-CB 3.35Å; A221-Y225 PolarHBondContact O-N 3.41Å; Y225-Q228 PolarHBondContact O-N 2.95Å; Y225-A229 VanDerWaalsContact O-CB 3.3Å; Y225-A229 WeakPolarHBondContact O-CB 3.28Å; Y225-A229 PolarHBondContact O-N 2.77Å
226H98.7Very high98.3Very high100 Ų10064.1 Ų64.146%0.46333%0.325SS..Hα-helixtrans-68.7-36.5-177.5-77-58000112.8Q222 L223 D224 A229 V230Q222-H226 PolarHBondContact O-CD2 3.26Å; Q222-H226 PolarHBondContact O-N 2.87Å; L223-H226 PolarHBondContact O-N 3.41Å; D224-H226 VanDerWaalsContact C-N 3.35Å; D224-H226 PolarHBondContact O-N 3.45Å; H226-A229 PolarHBondContact O-N 3.13Å; H226-V230 VanDerWaalsContact O-CG2 3.28Å; H226-V230 WeakPolarHBondContact O-CG2 3.47Å; H226-V230 PolarHBondContact O-N 3.02Å
227R98.7Very high98.3Very high164 Ų16463 Ų6362%0.61932%0.32SS*.Hα-helixtrans-62.4-47.9175.6-76.7170.2179.4153.42.2111.6L223 D224 A229 V230 Q231L223-R227 WeakPolarHBondContact O-CB 3.47Å; L223-R227 VanDerWaalsContact O-CG 3.23Å; L223-R227 WeakPolarHBondContact O-CG 3.38Å; L223-R227 PolarHBondContact O-N 3.04Å; D224-R227 PolarHBondContact O-N 2.92Å; R227-A229 VanDerWaalsContact C-N 3.35Å; R227-V230 PolarHBondContact O-N 3.31Å; R227-Q231 PolarHBondContact O-N 3.17Å; R227-Q231 VanDerWaalsContact O-N 3.09Å
228Q98.4Very high98.4Very high70 Ų7065.2 Ų65.233%0.32733%0.328SS..Hα-helixtrans-64.1-40.5177.1-69.3-169.361.700111.6V127 D224 Y225 Q231 I232V127-Q228 HydrophobicContact CG1-CB 3.66Å; V127-Q228 HydrophobicContact CG2-CB 4.08Å; D224-Q228 WeakPolarHBondContact O-CG 3.29Å; D224-Q228 PolarHBondContact O-N 3.06Å; D224-Q228 PolarHBondContact OD2-NE2 2.97Å; Y225-Q228 PolarHBondContact O-N 2.95Å; Q228-Q231 PolarHBondContact O-N 3.5Å; Q228-I232 WeakPolarHBondContact O-CG1 3.49Å; Q228-I232 PolarHBondContact O-N 3.12Å
229A98.4Very high98.3Very high9 Ų966.9 Ų66.97%0.07433%0.334CS..Hα-helixtrans-62.3-43.7176.900000112.4L124 Y225 H226 R227 I232 L233L124-A229 HydrophobicContact CD2-CB 3.68Å; Y225-A229 VanDerWaalsContact O-CB 3.3Å; Y225-A229 WeakPolarHBondContact O-CB 3.28Å; Y225-A229 PolarHBondContact O-N 2.77Å; H226-A229 PolarHBondContact O-N 3.13Å; R227-A229 VanDerWaalsContact C-N 3.35Å; A229-I232 PolarHBondContact O-N 3.43Å; A229-L233 WeakPolarHBondContact O-CB 3.33Å; A229-L233 WeakPolarHBondContact O-CG 3.35Å; A229-L233 PolarHBondContact O-N 3.03Å
230V98.8Very high98.2Very high75 Ų7566.1 Ų66.146%0.45533%0.327SS..Hα-helixtrans-59-47.8174.9167.50000110.5H226 R227 I232 L233 E234H226-V230 VanDerWaalsContact O-CG2 3.28Å; H226-V230 WeakPolarHBondContact O-CG2 3.47Å; H226-V230 PolarHBondContact O-N 3.02Å; R227-V230 PolarHBondContact O-N 3.31Å; V230-I232 VanDerWaalsContact C-N 3.34Å; V230-I232 PolarHBondContact O-N 3.19Å; V230-L233 PolarHBondContact O-N 2.86Å; V230-E234 HydrophobicContact CG1-CG 4.1Å; V230-E234 WeakPolarHBondContact O-CB 3.47Å; V230-E234 WeakPolarHBondContact O-CG 3.44Å; V230-E234 PolarHBondContact O-N 3.3Å
231Q98.6Very high98.2Very high111 Ų11167.6 Ų67.652%0.51933%0.329SS..Hα-helixtrans-57.2-46.5178.9-176-178-6.500112.1R227 Q228 L233 E234 E235R227-Q231 PolarHBondContact O-N 3.17Å; R227-Q231 VanDerWaalsContact O-N 3.09Å; Q228-Q231 PolarHBondContact O-N 3.5Å; Q231-L233 VanDerWaalsContact C-N 3.35Å; Q231-L233 PolarHBondContact O-N 3.36Å; Q231-E234 PolarHBondContact O-N 2.85Å; Q231-E235 WeakPolarHBondContact O-CG 3.37Å; Q231-E235 PolarHBondContact O-N 3.22Å
232I98.6Very high98.1Very high18 Ų1872.9 Ų72.99%0.09235%0.348CS..Hα-helixtrans-61.8-43.8178.5-67.2162.9000111.1R123 L124 V127 Q228 A229 V230 L236R123-I232 HydrophobicContact CB-CD1 3.9Å; R123-I232 HydrophobicContact CB-CG1 4.46Å; R123-I232 HydrophobicContact CB-CG2 4.38Å; L124-I232 HydrophobicContact CD2-CB 4.15Å; L124-I232 HydrophobicContact CD2-CD1 4.06Å; L124-I232 HydrophobicContact CD2-CG2 4.19Å; L124-I232 HydrophobicContact CG-CG2 4.03Å; V127-I232 HydrophobicContact CG2-CD1 3.67Å; Q228-I232 WeakPolarHBondContact O-CG1 3.49Å; Q228-I232 PolarHBondContact O-N 3.12Å; A229-I232 PolarHBondContact O-N 3.43Å; V230-I232 VanDerWaalsContact C-N 3.34Å; V230-I232 PolarHBondContact O-N 3.19Å; I232-L236 PolarHBondContact O-N 3.22Å
233L98.6Very high97.8Very high84 Ų8473.1 Ų73.144%0.4435%0.347SS..Hα-helixtrans-70.6-36-178.6-72.9171.1000112.5L124 A229 V230 Q231 L236 A237L124-L233 HydrophobicContact CD1-CD2 3.94Å; L124-L233 HydrophobicContact CD1-CG 4.24Å; A229-L233 WeakPolarHBondContact O-CB 3.33Å; A229-L233 WeakPolarHBondContact O-CG 3.35Å; A229-L233 PolarHBondContact O-N 3.03Å; V230-L233 PolarHBondContact O-N 2.86Å; Q231-L233 VanDerWaalsContact C-N 3.35Å; Q231-L233 PolarHBondContact O-N 3.36Å; L233-L236 PolarHBondContact O-N 3.42Å; L233-A237 VanDerWaalsContact O-CB 3.26Å; L233-A237 WeakPolarHBondContact O-CB 3.23Å; L233-A237 PolarHBondContact O-N 2.81Å
234E98.6Very high97.6Very high121 Ų12174.1 Ų74.157%0.56536%0.356SS*.Hα-helixtrans-63.7-47.1173.9-75.7-178.3155.700111.2V230 Q231 L236 A237 D238V230-E234 HydrophobicContact CG1-CG 4.1Å; V230-E234 WeakPolarHBondContact O-CB 3.47Å; V230-E234 WeakPolarHBondContact O-CG 3.44Å; V230-E234 PolarHBondContact O-N 3.3Å; Q231-E234 PolarHBondContact O-N 2.85Å; E234-L236 VanDerWaalsContact C-N 3.33Å; E234-L236 PolarHBondContact O-N 2.91Å; E234-A237 PolarHBondContact O-N 2.85Å; E234-D238 PolarHBondContact O-N 3Å
235E98.3Very high97.4Very high84 Ų8479 Ų7939%0.39337%0.37SS..Hα-helixtrans-57.5-45.2175.3-74.7178.9-165.100111.8R123 Q231 K239R123-E235 IonicContact NH1-OE2 2.87Å; Q231-E235 WeakPolarHBondContact O-CG 3.37Å; Q231-E235 PolarHBondContact O-N 3.22Å; E235-K239 WeakPolarHBondContact O-CG 3.41Å; E235-K239 PolarHBondContact O-N 2.89Å
236L98.2Very high97Very high18 Ų1882.3 Ų82.39%0.09439%0.386CS..Hα-helixtrans-64.1-47.5176.717661.5000111.5D116 A117 I232 L233 E234 D238 K239 L240D116-L236 HydrophobicContact CB-CD1 4.22Å; A117-L236 HydrophobicContact CB-CD1 4.31Å; A117-L236 HydrophobicContact CB-CD2 4.31Å; I232-L236 PolarHBondContact O-N 3.22Å; L233-L236 PolarHBondContact O-N 3.42Å; E234-L236 VanDerWaalsContact C-N 3.33Å; E234-L236 PolarHBondContact O-N 2.91Å; L236-D238 PolarHBondContact O-N 2.9Å; L236-K239 WeakPolarHBondContact O-CB 3.29Å; L236-K239 PolarHBondContact O-N 3.1Å; L236-K239 VanDerWaalsContact O-N 3.16Å; L236-L240 HydrophobicContact CD1-CD1 3.98Å; L236-L240 HydrophobicContact CD1-CD2 4.37Å; L236-L240 HydrophobicContact CD1-CG 3.9Å; L236-L240 HydrophobicContact CG-CD1 3.98Å; L236-L240 HydrophobicContact CG-CG 4.29Å; L236-L240 WeakPolarHBondContact O-CG 3.25Å; L236-L240 PolarHBondContact O-N 3.25Å
237A98.3Very high96.6Very high37 Ų3779.1 Ų79.131%0.30638%0.378SS..Hα-helixtrans-57.6-41.6-179.600000111.1L233 E234 L240 K241L233-A237 VanDerWaalsContact O-CB 3.26Å; L233-A237 WeakPolarHBondContact O-CB 3.23Å; L233-A237 PolarHBondContact O-N 2.81Å; E234-A237 PolarHBondContact O-N 2.85Å; A237-L240 PolarHBondContact O-N 2.82Å; A237-K241 WeakPolarHBondContact O-CB 3.41Å; A237-K241 VanDerWaalsContact O-CG 3.24Å; A237-K241 WeakPolarHBondContact O-CG 3.47Å; A237-K241 PolarHBondContact O-N 2.83Å
238D98.1Very high96Very high76 Ų7675.8 Ų75.841%0.40638%0.38SS..Hα-helixtrans-69.1-40177.3-81.7-7.5000113.1E234 L236 K241 R242E234-D238 PolarHBondContact O-N 3Å; L236-D238 PolarHBondContact O-N 2.9Å; D238-K241 PolarHBondContact O-N 3.4Å; D238-K241 IonicContact OD1-NZ 3.37Å; D238-R242 WeakPolarHBondContact O-CG 3.25Å; D238-R242 PolarHBondContact O-N 3.46Å
239K96.8Very high95.5Very high56 Ų5677 Ų7724%0.24340%0.395CS..Hα-helixtrans-57.6-48.3171.3-76.7178167.7-159.10111.4D116 E235 L236 R242 R243D116-K239 IonicContact OD1-NZ 3.63Å; D116-K239 PolarHBondContact OD1-NZ 3.38Å; E235-K239 WeakPolarHBondContact O-CG 3.41Å; E235-K239 PolarHBondContact O-N 2.89Å; L236-K239 WeakPolarHBondContact O-CB 3.29Å; L236-K239 PolarHBondContact O-N 3.1Å; L236-K239 VanDerWaalsContact O-N 3.16Å; K239-R242 PolarHBondContact O-N 3.47Å; K239-R243 WeakPolarHBondContact O-CB 3.35Å; K239-R243 PolarHBondContact O-N 3.25Å
240L96.5Very high94.7Very high56 Ų5683.4 Ų83.429%0.29342%0.418SS..Hα-helixtrans-66-42.6-179.5-66.1178.9000111.7A113 L236 A237 R242 R243 V244A113-L240 HydrophobicContact CB-CD2 4.01Å; L236-L240 HydrophobicContact CD1-CD1 3.98Å; L236-L240 HydrophobicContact CD1-CD2 4.37Å; L236-L240 HydrophobicContact CD1-CG 3.9Å; L236-L240 HydrophobicContact CG-CD1 3.98Å; L236-L240 HydrophobicContact CG-CG 4.29Å; L236-L240 WeakPolarHBondContact O-CG 3.25Å; L236-L240 PolarHBondContact O-N 3.25Å; A237-L240 PolarHBondContact O-N 2.82Å; L240-R242 VanDerWaalsContact C-N 3.34Å; L240-R242 PolarHBondContact O-N 2.83Å; L240-R243 PolarHBondContact O-N 2.78Å; L240-V244 WeakPolarHBondContact O-CG2 3.38Å; L240-V244 PolarHBondContact O-N 3.44Å
241K96.8Very high93.5Very high119 Ų11985.6 Ų85.652%0.51743%0.434SS..Hα-helixtrans-60.1-41174.4-75170.2-170.6165.10112.3A237 D238 R245A237-K241 WeakPolarHBondContact O-CB 3.41Å; A237-K241 VanDerWaalsContact O-CG 3.24Å; A237-K241 WeakPolarHBondContact O-CG 3.47Å; A237-K241 PolarHBondContact O-N 2.83Å; D238-K241 PolarHBondContact O-N 3.4Å; D238-K241 IonicContact OD1-NZ 3.37Å; K241-R245 WeakPolarHBondContact O-CG 3.32Å; K241-R245 PolarHBondContact O-N 2.83Å; K241-R245 VanDerWaalsContact O-N 3.15Å; K241-R245 PolarHBondContact O-NE 3Å
242R95.5Very high92.2Very high116 Ų11690.4 Ų90.444%0.43845%0.453SS..Hα-helixtrans-62.6-48.1173.8-75.5-169.6-62.1-89.60.1110.8D238 K239 L240 V244 R245 E246D238-R242 WeakPolarHBondContact O-CG 3.25Å; D238-R242 PolarHBondContact O-N 3.46Å; K239-R242 PolarHBondContact O-N 3.47Å; L240-R242 VanDerWaalsContact C-N 3.34Å; L240-R242 PolarHBondContact O-N 2.83Å; R242-V244 PolarHBondContact O-N 2.67Å; R242-R245 WeakPolarHBondContact O-CB 3.48Å; R242-R245 PolarHBondContact O-N 3.42Å; R242-R245 VanDerWaalsContact O-N 3.14Å; R242-E246 WeakPolarHBondContact O-CG 3.21Å; R242-E246 PolarHBondContact O-N 3.37Å
243R93.4Very high90.6Very high55 Ų55100.4 Ų100.421%0.20849%0.489CS..Hα-helixtrans-58.2-44178.2-171.4179.6-70.3-81.44.6112.7D112 D116 K239 L240 E246 A247D112-R243 IonicContact OD2-NH1 2.83Å; D112-R243 PolarHBondContact OD2-NH1 3.43Å; D116-R243 IonicContact OD2-CZ 2.75Å; D116-R243 IonicContact OD2-NE 3.68Å; D116-R243 IonicContact OD2-NH2 3.78Å; D116-R243 PolarHBondContact OD2-NH2 3.27Å; K239-R243 WeakPolarHBondContact O-CB 3.35Å; K239-R243 PolarHBondContact O-N 3.25Å; L240-R243 PolarHBondContact O-N 2.78Å; R243-E246 PolarHBondContact O-N 3.05Å; R243-A247 VanDerWaalsContact O-CB 3.28Å; R243-A247 WeakPolarHBondContact O-CB 3.22Å; R243-A247 PolarHBondContact O-N 3.09Å
244V94.3Very high88.5Confident93 Ų93104.3 Ų104.356%0.56451%0.505SS*.Hα-helixtrans-61.9-44.7176.3170.90000111.2L240 R242 A247 S248L240-V244 WeakPolarHBondContact O-CG2 3.38Å; L240-V244 PolarHBondContact O-N 3.44Å; R242-V244 PolarHBondContact O-N 2.67Å; V244-A247 PolarHBondContact O-N 3.43Å; V244-S248 VanDerWaalsContact O-CB 3.29Å; V244-S248 WeakPolarHBondContact O-CB 3.44Å; V244-S248 PolarHBondContact O-N 3.23Å; V244-S248 PolarHBondContact O-OG 2.92Å
245R93.6Very high87.2Confident161 Ų161107.2 Ų107.261%0.60852%0.516SS*.Hα-helixtrans-61.3-47.3177-77.3-177.7-75-160.5-0.3111.9K241 R242 S248 S249K241-R245 WeakPolarHBondContact O-CG 3.32Å; K241-R245 PolarHBondContact O-N 2.83Å; K241-R245 VanDerWaalsContact O-N 3.15Å; K241-R245 PolarHBondContact O-NE 3Å; R242-R245 WeakPolarHBondContact O-CB 3.48Å; R242-R245 PolarHBondContact O-N 3.42Å; R242-R245 VanDerWaalsContact O-N 3.14Å; R245-S248 PolarHBondContact O-N 3.26Å; R245-S249 PolarHBondContact O-N 3.17Å; R245-S249 VanDerWaalsContact O-N 3.12Å
246E90.9Very high85.2Confident105 Ų105111.4 Ų111.449%0.49153%0.533SS..Hα-helixtrans-62.6-46.9178.3-72.5172.7-158.800111.9R242 R243 S248 S249 R250R242-E246 WeakPolarHBondContact O-CG 3.21Å; R242-E246 PolarHBondContact O-N 3.37Å; R243-E246 PolarHBondContact O-N 3.05Å; E246-S248 VanDerWaalsContact C-N 3.33Å; E246-S248 PolarHBondContact O-N 3.28Å; E246-S249 PolarHBondContact O-N 3.01Å; E246-S249 PolarHBondContact O-OG 3.17Å; E246-R250 WeakPolarHBondContact O-CG 3.4Å; E246-R250 PolarHBondContact O-N 3.49Å
247A88.6Confident83.4Confident34 Ų34114.9 Ų114.928%0.28156%0.557SS.*Hα-helixtrans-63.4-38178.200000112.4R243 V244 S249 R250R243-A247 VanDerWaalsContact O-CB 3.28Å; R243-A247 WeakPolarHBondContact O-CB 3.22Å; R243-A247 PolarHBondContact O-N 3.09Å; V244-A247 PolarHBondContact O-N 3.43Å; A247-S249 VanDerWaalsContact C-N 3.28Å; A247-S249 PolarHBondContact O-N 2.82Å; A247-R250 PolarHBondContact O-N 3.29Å
248S87.6Confident81.7Confident94 Ų94124.3 Ų124.366%0.65759%0.585SS**Hα-helixtrans-69.5-25.9178.3-56.90000113.1V244 R245 E246 R250V244-S248 VanDerWaalsContact O-CB 3.29Å; V244-S248 WeakPolarHBondContact O-CB 3.44Å; V244-S248 PolarHBondContact O-N 3.23Å; V244-S248 PolarHBondContact O-OG 2.92Å; R245-S248 PolarHBondContact O-N 3.26Å; E246-S248 VanDerWaalsContact C-N 3.33Å; E246-S248 PolarHBondContact O-N 3.28Å; S248-R250 VanDerWaalsContact C-N 3.33Å
249S86.8Confident79.8Confident94 Ų94126.3 Ų126.366%0.65760%0.601SS**Hα-helixtrans-79.8-13.1176.273.30000113.8R245 E246 A247R245-S249 PolarHBondContact O-N 3.17Å; R245-S249 VanDerWaalsContact O-N 3.12Å; E246-S249 PolarHBondContact O-N 3.01Å; E246-S249 PolarHBondContact O-OG 3.17Å; A247-S249 VanDerWaalsContact C-N 3.28Å; A247-S249 PolarHBondContact O-N 2.82Å
250R81.5Confident77.8Confident144 Ų144135.1 Ų135.154%0.54363%0.633SS.*SBendtrans-78.9137.4-179-69.5177.2-173.5-175.74.8110.3E246 A247 S248 K252E246-R250 WeakPolarHBondContact O-CG 3.4Å; E246-R250 PolarHBondContact O-N 3.49Å; A247-R250 PolarHBondContact O-N 3.29Å; S248-R250 VanDerWaalsContact C-N 3.33Å; R250-K252 PolarHBondContact O-N 2.97Å
251P73.9Confident75.9Confident122 Ų122140.6 Ų140.679%0.79266%0.657SS**PPolyproline II helixtrans-58.2136.7173-19.830.5000110.8R253P251-R253 PolarHBondContact O-N 2.85Å
252K71.3Confident73.7Confident211 Ų211140.3 Ų140.392%0.91767%0.668SS**PPolyproline II helixtrans-59.3122.5175-74.5-177.7179.1178.20109.2R250 E254R250-K252 PolarHBondContact O-N 2.97Å; K252-E254 PolarHBondContact O-N 3.44Å
253R65.4Low71.3Confident229 Ų229145 Ų14586%0.86469%0.692SS**PPolyproline II helixtrans-67.5117.2170.4-77.7-178.4169.9-179.5-3.7108.4P251 F255P251-R253 PolarHBondContact O-N 2.85Å; R253-F255 PolarHBondContact O-N 3.17Å
254E53.6Low69.2Low166 Ų166149.8 Ų149.878%0.77672%0.721SS**PPolyproline II helixtrans-67.2122.9169.6-116.2-179.1-178.900109.2K252 K256K252-E254 PolarHBondContact O-N 3.44Å; E254-K256 PolarHBondContact O-N 3.27Å; E254-K256 VanDerWaalsContact O-N 3.1Å
255F72.8Confident67Low181 Ų181153.3 Ų153.379%0.79474%0.736SS**  trans-72.3103.2172.9178.3-102.3000108.8R253 P257R253-F255 PolarHBondContact O-N 3.17Å; F255-P257 HydrophobicContact CE1-CB 3.84Å; F255-P257 HydrophobicContact CE1-CG 4.41Å; F255-P257 HydrophobicContact CZ-CB 4.4Å; F255-P257 VanDerWaalsContact O-CD 3.23Å; F255-P257 WeakPolarHBondContact O-CD 3.49Å
256K56.2Low64.4Low173 Ų173148.4 Ų148.475%0.75274%0.736SS**  trans-89105.3167.3-71.7-171.3178.5-177.80108.5E254 R258E254-K256 PolarHBondContact O-N 3.27Å; E254-K256 VanDerWaalsContact O-N 3.1Å; K256-R258 PolarHBondContact O-N 2.73Å
257P60.3Low62.2Low90 Ų90152.5 Ų152.558%0.58476%0.755SS**PPolyproline II helixtrans-59.1134.7173.323.2-30.6000108.8F255F255-P257 HydrophobicContact CE1-CB 3.84Å; F255-P257 HydrophobicContact CE1-CG 4.41Å; F255-P257 HydrophobicContact CZ-CB 4.4Å; F255-P257 VanDerWaalsContact O-CD 3.23Å; F255-P257 WeakPolarHBondContact O-CD 3.49Å
258R62.3Low59.7Low236 Ų236159 Ų15989%0.89178%0.784SS**PPolyproline II helixtrans-57.1130174-78.8-174.5177.3-176-0.6108.7K256 R260K256-R258 PolarHBondContact O-N 2.73Å; R258-R260 PolarHBondContact O-N 2.94Å
259P57.4Low57.2Low117 Ų117163.4 Ų163.476%0.7679%0.794SS**PPolyproline II helixtrans-54.6136169.8-21.632.1000109.2E261P259-E261 PolarHBondContact O-N 2.87Å
260R54.3Low55Low241 Ų241167.5 Ų167.591%0.90980%0.803SS**PPolyproline II helixtrans-65.3117169.7-69.7179.4177.6177.4-1.4107R258 P262R258-R260 PolarHBondContact O-N 2.94Å; R260-P262 WeakPolarHBondContact O-CD 3.49Å
261E56.7Low53.1Low171 Ų171166.2 Ų166.280%0.79981%0.813SS**PPolyproline II helixtrans-53.9121.8167.9-69.8-78.4140.100108P259 F263P259-E261 PolarHBondContact O-N 2.87Å; E261-F263 PolarHBondContact O-N 3.47Å
262P51.3Low51.2Low114 Ų114168.2 Ų168.274%0.7482%0.818SS**PPolyproline II helixtrans-62.3125.8169.6-14.628.5000108R260 D264R260-P262 WeakPolarHBondContact O-CD 3.49Å; P262-D264 PolarHBondContact O-N 3.05Å
263F44.6Very low49.3Very low214 Ų214162 Ų16294%0.93981%0.814SS**  trans-60.4107.8166.6-98.9-101000108.2E261 L265E261-F263 PolarHBondContact O-N 3.47Å; F263-L265 PolarHBondContact O-N 2.88Å
264D49.9Very low47.5Very low155 Ų155155 Ų15583%0.82981%0.812SS**  trans-78.298.5170.6-163.317.5000108.1P262 G266P262-D264 PolarHBondContact O-N 3.05Å; D264-G266 PolarHBondContact O-N 2.89Å
265L48.2Very low46.4Very low167 Ų167156.4 Ų156.487%0.87482%0.816SS**  trans-8492.6171.2-164.679.2000107.1F263F263-L265 PolarHBondContact O-N 2.88Å
266G39Very low45.1Very low58 Ų58153.5 Ų153.560%0.59882%0.815SS**  trans-51.3143177.200000113.1D264 L268D264-G266 PolarHBondContact O-N 2.89Å; G266-L268 PolarHBondContact O-N 2.81Å
267E44.2Very low44Very low192 Ų192150.9 Ų150.990%0.89782%0.817SS**  trans-46.6128.4178.7-65.7174.8136.100113.1
268L36.8Very low42.7Very low171 Ų171150.6 Ų150.690%0.89582%0.823SS**  trans-118.7111.9153.1-134.792.2000107.5G266G266-L268 PolarHBondContact O-N 2.81Å
269E35.2Very low41.9Very low185 Ų185144.9 Ų144.986%0.86482%0.816SS**  trans-57133.8176.9-66-158.4128.900111.6
270Q40.6Very low40.9Very low180 Ų180143.9 Ų143.984%0.84182%0.817SS**  trans-74.2161.3165.8-69.6-176.9-4.600110.4
271P40.9Very low40.3Very low118 Ų118138.3 Ų138.377%0.76681%0.812SS**  -138136.8120.331.8-17.1000115.7
272N33.7Very low39.4Very low164 Ų164139.2 Ų139.288%0.87781%0.814SS**  trans70.2114.3142.8-85.4-5.7000122.1
273G31.1Very low38.5Very low81 Ų81141.2 Ų141.284%0.83582%0.817SS**  156.189.9124.700000117.1
274G28.9Very low37.8Very low80 Ų80136.9 Ų136.983%0.82581%0.808SS**  trans118.4105.4146.600000118.4
275F30.4Very low37.1Very low197 Ų197133.6 Ų133.686%0.86480%0.802SS**  trans-108.2169.8161.4-86.3-77.6000109.1
276P45.4Very low36.4Very low119 Ų119130.8 Ų130.877%0.77380%0.796SS**  cis-142.1163.820.629-3.9000119.6
277C33.1Very low36.1Very low118 Ų118133 Ų13380%0.79780%0.803SS**  trans2.9152.5143.1-82.60000120.8
278A32Very low35.6Very low85 Ų85128.1 Ų128.170%0.70279%0.79SS**  cis-176.1-158.91.500000106.4
279P46.8Very low35.2Very low116 Ų116128.1 Ų128.175%0.75378%0.783SS**  cis-132159.2-28.732.1-12.8000115.4
280A34.9Very low35.1Very low95 Ų95129.9 Ų129.979%0.78578%0.782SS**  trans55.7164.5142.600000120.8
281P42.3Very low34.8Very low124 Ų124126.6 Ų126.681%0.80578%0.779SS**  cis-135.6-179.411.238-16.2000116.8
282K38.9Very low34.2Very low190 Ų190124.4 Ų124.483%0.82678%0.778SS**  trans-65.4159.1177.2-54.8171.1-179.9177.80112.3
283I31.8Very low34.2Very low157 Ų157124.2 Ų124.281%0.80578%0.777SS**  trans173.9126.1133.6-89.2156.9000112.8
284T28.8Very low34.4Very low122 Ų122129.5 Ų129.575%0.74878%0.777SS**  trans40.1129.3145.269.10000125.5
285A36Very low34.8Very low86 Ų86131.3 Ų131.371%0.71177%0.774SS**  trans4.7132.7134.700000121.1
286S34.2Very low34.9Very low108 Ų108127 Ų12776%0.75578%0.775SS**  138141.3117.3-57.20000115.1
287S32.4Very low34.3Very low104 Ų104132.2 Ų132.273%0.72778%0.779SS**  trans71.2106.3150.8620000121.9
288S32.6Very low34.5Very low91 Ų91131.9 Ų131.964%0.63677%0.774SS**  76.9128111-45.30000122.9
289F28.8Very low34.7Very low171 Ų171133.8 Ų133.875%0.7578%0.779SS**  trans105.8109.9140.4-58.3-60.4000120.2
290R34.6Very low34Very low221 Ų221132.8 Ų132.883%0.83477%0.774SS**  73.2135.4129.9-69.8178.6-172.7-116.32.8116.8
291S33.1Very low34.2Very low111 Ų111137.5 Ų137.578%0.77677%0.772SS**  cis-167.2152.99.3-85.60000109
292G29.4Very low33.8Very low73 Ų73136.1 Ų136.175%0.75377%0.765SS**  trans98.795.3143.200000117
293D32Very low33.9Very low160 Ų160134.3 Ų134.386%0.85676%0.761SS**  -162.9153.6106.3-122.2-39.3000112.4
294K36.9Very low34.4Very low191 Ų191130.2 Ų130.283%0.8375%0.745SS**PPolyproline II helixtrans-72.9146.9-163.6-61.5170179.8172.20114
295P36Very low35.2Very low119 Ų119129.5 Ų129.577%0.77374%0.743SS**PPolyproline II helixtrans-89.5142.8161.333.3-27.9000111.6
296A32.2Very low36Very low106 Ų106132.4 Ų132.488%0.87675%0.746SS**PPolyproline II helixtrans-67.1140.2175.600000112.1
297R32.8Very low37.5Very low228 Ų228134.4 Ų134.486%0.8675%0.748SS**PPolyproline II helixtrans-77.4125.9-176.3-74.1175.4167.8-169.2-5.3111.9
298T37.4Very low39.9Very low112 Ų112133.9 Ų133.969%0.68773%0.734SS**  67.815310874.60000117.1
299P36.9Very low42.6Very low125 Ų125130.5 Ų130.581%0.81271%0.71SS**  -120.511558.123.4-4.2000111.2
300S32.3Very low45.6Very low94 Ų94123.7 Ų123.766%0.65768%0.683SS**  36.781.277.21780000112S302S300-S302 PolarHBondContact O-N 2.89Å
301R39Very low48.5Very low195 Ų195113.1 Ų113.174%0.73664%0.643SS**  trans-60.3105.1163.9-153.8173.8169.2-165.4-4.6106.6M303 H349R301-M303 PolarHBondContact O-N 2.99Å; R301-H349 PolarHBondContact NH2-CE1 3.24Å; R301-H349 VanDerWaalsContact NH2-CE1 3.28Å
302S34.5Very low51.4Low95 Ų95112 Ų11266%0.66462%0.624SS**PPolyproline II helixtrans-53.7120.3-178.146.80000111.4S300 P304S300-S302 PolarHBondContact O-N 2.89Å; S302-P304 WeakPolarHBondContact O-CD 3.38Å
303M40Very low54.5Low151 Ų151108.6 Ų108.674%0.74459%0.589SS**PPolyproline II helixtrans-62119.7149.8-76.5-96.7-7500106.8R301R301-M303 PolarHBondContact O-N 2.99Å
304P42Very low57.4Low71 Ų71104 Ų10446%0.46156%0.564SS.*PPolyproline II helixtrans-65.9160.1167.3-11.227.5000109.5S302 L306S302-P304 WeakPolarHBondContact O-CD 3.38Å; P304-L306 PolarHBondContact O-N 3.02Å
305P45.4Very low60Low107 Ų107101.2 Ų101.270%0.69555%0.549SS*.PPolyproline II helixtrans-54.7137.8175.3-18.230.2000110.9D307 Q308P305-D307 PolarHBondContact O-N 3.09Å; P305-Q308 PolarHBondContact O-N 2.71Å
306L53.9Low62.6Low148 Ų148100.4 Ų100.478%0.77554%0.538SS*.THydrogen-bonded Turntrans-63.717.2-175.9-81.5156.4000115.9P304P304-L306 PolarHBondContact O-N 3.02Å
307D66.1Low65.5Low149 Ų14996.5 Ų96.580%0.79750%0.502SS*.THydrogen-bonded Turntrans-116.32.5-179.6-73.4-25.2000113.5P305P305-D307 PolarHBondContact O-N 3.09Å
308Q81.6Confident68.3Low93 Ų9393.8 Ų93.844%0.43550%0.499SS..SBendtrans-90130.8178.1-165.7172.135.700111.4P305 S310 T334 V364P305-Q308 PolarHBondContact O-N 2.71Å; Q308-S310 PolarHBondContact O-N 3.04Å; Q308-S310 PolarHBondContact O-OG 3.08Å; Q308-T334 VanDerWaalsContact CD-CG2 3.47Å; Q308-T334 HydrophobicContact CG-CG2 3.91Å; Q308-V364 WeakPolarHBondContact O-CB 3.23Å
309P89.9Confident70.8Confident21 Ų2191.7 Ų91.714%0.13649%0.487CS..  trans-51.3125.8173.1-28.336.4000111.3L335 V364 L366P309-L335 HydrophobicContact CB-CB 3.89Å; P309-L335 PolarHBondContact O-N 2.88Å; P309-V364 CarbonylContact C-O 3.38Å; P309-V364 VanDerWaalsContact CA-O 3.25Å; P309-V364 WeakPolarHBondContact CA-O 3.43Å; P309-L366 HydrophobicContact CB-CD2 3.72Å; P309-L366 HydrophobicContact CB-CG 4.19Å; P309-L366 HydrophobicContact CG-CD2 4.08Å
310S92.6Very high73Confident27 Ų2794.2 Ų94.219%0.18949%0.488CS..EExtended strand (participates in β ladder)trans-156.5154.6-173.1540000111.9Q308 I333 L363 V364Q308-S310 PolarHBondContact O-N 3.04Å; Q308-S310 PolarHBondContact O-OG 3.08Å; S310-I333 CarbonylContact C-O 3.5Å; S310-I333 VanDerWaalsContact CA-O 3.25Å; S310-I333 WeakPolarHBondContact CA-O 3.4Å; S310-I333 WeakPolarHBondContact CB-O 3.47Å; S310-L363 PolarHBondContact O-N 3.3Å; S310-V364 PolarHBondContact N-O 3.26Å; S310-V364 PolarHBondContact O-N 3.24Å
311C94.1Very high75.5Confident0 Ų094.5 Ų94.50%048%0.482CS..EExtended strand (participates in β ladder)trans-135.8160174.6650000110.9I333 L335 V360 Q361C311-I333 PolarHBondContact N-O 3.01Å; C311-I333 PolarHBondContact O-N 2.89Å; C311-L335 HydrophobicContact CB-CD1 4.12Å; C311-L335 HydrophobicContact CB-CD2 4.33Å; C311-L335 HydrophobicContact CB-CG 4.2Å; C311-V360 HydrophobicContact CB-CB 3.97Å; C311-V360 HydrophobicContact CB-CG2 4.12Å; C311-Q361 CarbonylContact C-O 3.59Å; C311-Q361 WeakPolarHBondContact CA-O 3.49Å; C311-Q361 WeakPolarHBondContact CB-O 3.19Å
312K95Very high77.4Confident87 Ų8793.5 Ų93.538%0.37849%0.491SS..EExtended strand (participates in β ladder)trans-108.2130.1174-174.9-177.5175.8-171.30109.5L314 D331 L332 V360 Q361 L363K312-L314 PolarHBondContact O-N 3.25Å; K312-D331 CarbonylContact C-O 3.56Å; K312-D331 WeakPolarHBondContact CA-O 3.28Å; K312-L332 HydrophobicContact CB-CD2 4.01Å; K312-L332 HydrophobicContact CG-CD2 4.2Å; K312-V360 CarbonylContact O-C 3.59Å; K312-V360 VanDerWaalsContact O-CA 3.32Å; K312-V360 WeakPolarHBondContact O-CA 3.28Å; K312-Q361 PolarHBondContact N-O 3.2Å; K312-Q361 PolarHBondContact O-N 3.4Å; K312-L363 HydrophobicContact CB-CD1 4.15Å; K312-L363 HydrophobicContact CB-CD2 4.46Å; K312-L363 HydrophobicContact CB-CG 4.3Å
313A94.6Very high79.8Confident1 Ų191 Ų911%0.00848%0.48CS..EExtended strand (participates in β ladder)trans-64.2127.1172.800000111.1F327 R328 G330 D331A313-F327 HydrophobicContact CB-CD2 3.37Å; A313-F327 HydrophobicContact CB-CE2 3.65Å; A313-F327 HydrophobicContact CB-CG 4.32Å; A313-R328 WeakPolarHBondContact CB-O 3.17Å; A313-G330 PolarHBondContact O-N 3.14Å; A313-D331 HydrophobicContact CB-CB 4.42Å; A313-D331 PolarHBondContact N-O 3.27Å
314L92.2Very high82.3Confident63 Ų6385.1 Ų85.133%0.3345%0.451SS..SBendtrans-91.3-23.5174.6-65.9178.4000112.3K312 E329 Y359 Q361K312-L314 PolarHBondContact O-N 3.25Å; L314-E329 WeakPolarHBondContact O-CG 3Å; L314-Y359 PolarHBondContact N-O 3.38Å; L314-Q361 HydrophobicContact CD1-CB 4.16Å; L314-Q361 HydrophobicContact CD2-CB 3.93Å; L314-Q361 HydrophobicContact CG-CB 4.05Å
315Y90.9Very high84.7Confident134 Ų13481.9 Ų81.953%0.52543%0.43SS..SBendtrans-142.2160.4-179.4-52.4-69.7000109.8F327 Y359Y315-F327 WeakPolarHBondContact O-CE2 3.39Å; Y315-Y359 HydrophobicContact CD2-CD1 4.42Å; Y315-Y359 HydrophobicContact CD2-CG 4.48Å
316D91.6Very high86.9Confident101 Ų10178.2 Ų78.254%0.5441%0.411SS..  trans-65.9141.3167.9-64.3-19000110R328 E329D316-R328 WeakPolarHBondContact OD1-CA 3.43Å; D316-R328 WeakPolarHBondContact OD1-CB 3.43Å; D316-E329 PolarHBondContact OD1-N 3.4Å
317F92.5Very high88.8Confident25 Ų2571.6 Ų71.611%0.1138%0.377CS..BIsolated β-bridgetrans-132.4115.4175.8-177.5-105000109.5E324 L325 G326 F327 W343 F355 P356 Y359F317-E324 HydrophobicContact CE1-CB 4.19Å; F317-L325 WeakPolarHBondContact CD1-O 2.98Å; F317-G326 VanDerWaalsContact O-CA 3.23Å; F317-G326 WeakPolarHBondContact O-CA 3.25Å; F317-F327 HydrophobicContact CB-CD1 4.18Å; F317-F327 HydrophobicContact CB-CD2 3.91Å; F317-F327 HydrophobicContact CB-CE1 3.79Å; F317-F327 HydrophobicContact CB-CE2 3.5Å; F317-F327 HydrophobicContact CB-CG 4.25Å; F317-F327 HydrophobicContact CB-CZ 3.44Å; F317-F327 VanDerWaalsContact CB-CZ 3.44Å; F317-F327 HydrophobicContact CD1-CD1 4.3Å; F317-F327 AromaticContact CD1-CE1 3.81Å; F317-F327 HydrophobicContact CD1-CE1 3.81Å; F317-F327 HydrophobicContact CD1-CZ 4.19Å; F317-F327 HydrophobicContact CG-CE1 4.05Å; F317-F327 HydrophobicContact CG-CE2 4.48Å; F317-F327 AromaticContact CG-CZ 3.95Å; F317-F327 HydrophobicContact CG-CZ 3.95Å; F317-F327 PolarHBondContact N-O 3.5Å; F317-F327 PolarHBondContact O-N 3.17Å; F317-W343 HydrophobicContact CZ-CZ3 4.44Å; F317-F355 HydrophobicContact CD1-CB 4.27Å; F317-F355 HydrophobicContact CE1-CB 4.11Å; F317-P356 HydrophobicContact CD2-CG 4.11Å; F317-P356 VanDerWaalsContact CE2-CD 3.48Å; F317-P356 HydrophobicContact CE2-CG 3.79Å; F317-P356 HydrophobicContact CZ-CG 4.41Å; F317-Y359 HydrophobicContact CB-CD1 4.13Å; F317-Y359 HydrophobicContact CD2-CD1 4.06Å; F317-Y359 HydrophobicContact CD2-CE1 4.17Å
318E92.7Very high90.1Very high170 Ų17073.3 Ų73.379%0.79437%0.372SS*.  trans-98.4124.3174.8-67.9-172.6167.700108.9E320E318-E320 PolarHBondContact O-N 2.78Å
319P88.9Confident90.7Very high68 Ų6875.4 Ų75.444%0.44238%0.382SS..  trans-72.3129.4-177.527.7-30.7000110.5E324P319-E324 WeakPolarHBondContact CA-OE2 3.41Å; P319-E324 HydrophobicContact CB-CB 3.53Å
320E82.9Confident90.8Very high179 Ų17976.1 Ų76.184%0.83639%0.392SS*.  trans-100.4-24.1177.9-67.6-172.5175.600112.2E318 E324E318-E320 PolarHBondContact O-N 2.78Å; E320-E324 PolarHBondContact N-OE2 3.27Å
321N84.3Confident90.8Very high100 Ų10076.5 Ų76.554%0.53539%0.392SS..SBendtrans-119.8155-179.1-57.7-71.3000113G323 E324N321-G323 PolarHBondContact O-N 2.82Å; N321-E324 HydrophobicContact CB-CG 4.31Å; N321-E324 PolarHBondContact N-OE2 3.44Å; N321-E324 PolarHBondContact ND2-OE1 3.2Å; N321-E324 PolarHBondContact O-N 3.22Å
322D80.4Confident90.7Very high173 Ų17381.1 Ų81.193%0.92542%0.417SS*.THydrogen-bonded Turntrans-62.9119.4172.7-74.4-22.5000110.4
323G85.1Confident90.7Very high42 Ų4277 Ų7743%0.43340%0.399SS..THydrogen-bonded Turntrans108.3-6.5-179.100000115N321 G353 F354N321-G323 PolarHBondContact O-N 2.82Å; G323-G353 CarbonylContact O-C 3.51Å; G323-G353 WeakPolarHBondContact O-CA 3.38Å; G323-F354 WeakPolarHBondContact O-CD1 3.34Å; G323-F354 WeakPolarHBondContact O-CE1 3.25Å; G323-F354 PolarHBondContact O-N 2.97Å
324E91.9Very high90.6Very high28 Ų2878.6 Ų78.613%0.13141%0.408CS..BIsolated β-bridgetrans-80.3143.4173.7-71.3174.2-175.800111.9F317 P319 E320 N321 F354F317-E324 HydrophobicContact CE1-CB 4.19Å; P319-E324 WeakPolarHBondContact CA-OE2 3.41Å; P319-E324 HydrophobicContact CB-CB 3.53Å; E320-E324 PolarHBondContact N-OE2 3.27Å; N321-E324 HydrophobicContact CB-CG 4.31Å; N321-E324 PolarHBondContact N-OE2 3.44Å; N321-E324 PolarHBondContact ND2-OE1 3.2Å; N321-E324 PolarHBondContact O-N 3.22Å; E324-F354 WeakPolarHBondContact CA-O 3.47Å; E324-F354 HydrophobicContact CB-CE2 4.39Å; E324-F354 HydrophobicContact CG-CD2 3.7Å; E324-F354 HydrophobicContact CG-CE2 3.22Å; E324-F354 HydrophobicContact CG-CZ 3.79Å
325L91.8Very high90.7Very high4 Ų475.8 Ų75.82%0.02139%0.394CS..  trans-98.9109.5-179.8-176.469.5000111.1F317 F327 I333 L348 Q351 F354 F355F317-L325 WeakPolarHBondContact CD1-O 2.98Å; L325-F327 WeakPolarHBondContact O-CD1 3.21Å; L325-F327 WeakPolarHBondContact O-CE1 3.3Å; L325-I333 HydrophobicContact CD2-CG2 3.89Å; L325-L348 HydrophobicContact CD1-CB 4.3Å; L325-L348 HydrophobicContact CD2-CB 3.88Å; L325-L348 HydrophobicContact CG-CB 4.36Å; L325-Q351 HydrophobicContact CD1-CB 3.85Å; L325-Q351 VanDerWaalsContact CD1-O 3.28Å; L325-Q351 WeakPolarHBondContact CD1-O 3.38Å; L325-F354 PolarHBondContact N-O 3.16Å; L325-F354 VanDerWaalsContact N-O 3.08Å; L325-F355 HydrophobicContact CB-CD1 4.11Å; L325-F355 HydrophobicContact CD2-CD1 4.06Å; L325-F355 HydrophobicContact CD2-CE1 3.97Å
326G91.3Very high90.6Very high29 Ų2972.5 Ų72.530%0.29939%0.388SS..  trans-73.8140.1173.700000114F317F317-G326 VanDerWaalsContact O-CA 3.23Å; F317-G326 WeakPolarHBondContact O-CA 3.25Å
327F95.1Very high90.5Very high10 Ų1071.7 Ų71.74%0.04438%0.383CS..BIsolated β-bridgetrans-154.1166.4178.353-100.6000112.4A313 Y315 F317 L325 D331 I333 L348 F355 V360A313-F327 HydrophobicContact CB-CD2 3.37Å; A313-F327 HydrophobicContact CB-CE2 3.65Å; A313-F327 HydrophobicContact CB-CG 4.32Å; Y315-F327 WeakPolarHBondContact O-CE2 3.39Å; F317-F327 HydrophobicContact CB-CD1 4.18Å; F317-F327 HydrophobicContact CB-CD2 3.91Å; F317-F327 HydrophobicContact CB-CE1 3.79Å; F317-F327 HydrophobicContact CB-CE2 3.5Å; F317-F327 HydrophobicContact CB-CG 4.25Å; F317-F327 HydrophobicContact CB-CZ 3.44Å; F317-F327 VanDerWaalsContact CB-CZ 3.44Å; F317-F327 HydrophobicContact CD1-CD1 4.3Å; F317-F327 AromaticContact CD1-CE1 3.81Å; F317-F327 HydrophobicContact CD1-CE1 3.81Å; F317-F327 HydrophobicContact CD1-CZ 4.19Å; F317-F327 HydrophobicContact CG-CE1 4.05Å; F317-F327 HydrophobicContact CG-CE2 4.48Å; F317-F327 AromaticContact CG-CZ 3.95Å; F317-F327 HydrophobicContact CG-CZ 3.95Å; F317-F327 PolarHBondContact N-O 3.5Å; F317-F327 PolarHBondContact O-N 3.17Å; L325-F327 WeakPolarHBondContact O-CD1 3.21Å; L325-F327 WeakPolarHBondContact O-CE1 3.3Å; F327-D331 HydrophobicContact CB-CB 4.36Å; F327-I333 HydrophobicContact CB-CD1 4.07Å; F327-I333 HydrophobicContact CD1-CD1 3.35Å; F327-I333 HydrophobicContact CD2-CD1 4.08Å; F327-I333 HydrophobicContact CE1-CD1 3.66Å; F327-I333 HydrophobicContact CE2-CD1 4.33Å; F327-I333 HydrophobicContact CG-CD1 3.57Å; F327-I333 HydrophobicContact CZ-CD1 4.14Å; F327-L348 HydrophobicContact CB-CD2 3.5Å; F327-L348 VanDerWaalsContact CB-CD2 3.5Å; F327-F355 HydrophobicContact CE1-CB 3.5Å; F327-F355 HydrophobicContact CE1-CD1 4.13Å; F327-F355 AromaticContact CE1-CD2 3.98Å; F327-F355 HydrophobicContact CE1-CD2 3.98Å; F327-F355 AromaticContact CE1-CG 3.62Å; F327-F355 HydrophobicContact CE1-CG 3.62Å; F327-F355 HydrophobicContact CZ-CB 4.1Å; F327-F355 HydrophobicContact CZ-CD2 4.24Å; F327-F355 HydrophobicContact CZ-CG 4.27Å; F327-V360 HydrophobicContact CE2-CG1 4.25Å; F327-V360 HydrophobicContact CZ-CG1 3.91Å
328R93.4Very high90.4Very high184 Ų18474.5 Ų74.569%0.69440%0.397SS*.  trans-110.1155.8176.6-64.6-178.3-178.5-174.5-1.3111.9A313 D316 G330 D331A313-R328 WeakPolarHBondContact CB-O 3.17Å; D316-R328 WeakPolarHBondContact OD1-CA 3.43Å; D316-R328 WeakPolarHBondContact OD1-CB 3.43Å; R328-G330 PolarHBondContact O-N 3.22Å; R328-D331 PolarHBondContact N-OD2 3.42Å; R328-D331 VanDerWaalsContact O-CB 3.3Å; R328-D331 WeakPolarHBondContact O-CB 3.33Å; R328-D331 PolarHBondContact O-N 3.01Å
329E93.4Very high90.1Very high138 Ų13870.9 Ų70.965%0.64538%0.382SS*.THydrogen-bonded Turntrans-49.7126.8173-179.4-177.7163.900110L314 D316L314-E329 WeakPolarHBondContact O-CG 3Å; D316-E329 PolarHBondContact OD1-N 3.4Å
330G91.1Very high90.1Very high35 Ų3571.2 Ų71.236%0.36138%0.38SS..THydrogen-bonded Turntrans91.5-7.7-179.100000115.6A313 R328A313-G330 PolarHBondContact O-N 3.14Å; R328-G330 PolarHBondContact O-N 3.22Å
331D93Very high90.2Very high35 Ų3570.6 Ų70.619%0.18738%0.377CS..  trans-64.6145.3173.2-78.7-29.9000111.8K312 A313 F327 R328 L348K312-D331 CarbonylContact C-O 3.56Å; K312-D331 WeakPolarHBondContact CA-O 3.28Å; A313-D331 HydrophobicContact CB-CB 4.42Å; A313-D331 PolarHBondContact N-O 3.27Å; F327-D331 HydrophobicContact CB-CB 4.36Å; R328-D331 PolarHBondContact N-OD2 3.42Å; R328-D331 VanDerWaalsContact O-CB 3.3Å; R328-D331 WeakPolarHBondContact O-CB 3.33Å; R328-D331 PolarHBondContact O-N 3.01Å; D331-L348 HydrophobicContact CB-CD1 4.26Å; D331-L348 HydrophobicContact CB-CD2 4.04Å
332L92.9Very high90.5Very high97 Ų9770.9 Ų70.951%0.50838%0.378SS..EExtended strand (participates in β ladder)trans-102113.1175.5-70.2175.7000109.2K312 L348 L363K312-L332 HydrophobicContact CB-CD2 4.01Å; K312-L332 HydrophobicContact CG-CD2 4.2Å; L332-L348 VanDerWaalsContact O-CD1 3.25Å; L332-L348 WeakPolarHBondContact O-CD1 3.42Å; L332-L363 HydrophobicContact CD2-CD1 3.62Å
333I94.3Very high91.1Very high1 Ų166.1 Ų66.11%0.00535%0.348CS..EExtended strand (participates in β ladder)trans-105.2132.3-176.5-52.5166.4000108.1S310 C311 L325 F327 L348 F355 V360S310-I333 CarbonylContact C-O 3.5Å; S310-I333 VanDerWaalsContact CA-O 3.25Å; S310-I333 WeakPolarHBondContact CA-O 3.4Å; S310-I333 WeakPolarHBondContact CB-O 3.47Å; C311-I333 PolarHBondContact N-O 3.01Å; C311-I333 PolarHBondContact O-N 2.89Å; L325-I333 HydrophobicContact CD2-CG2 3.89Å; F327-I333 HydrophobicContact CB-CD1 4.07Å; F327-I333 HydrophobicContact CD1-CD1 3.35Å; F327-I333 HydrophobicContact CD2-CD1 4.08Å; F327-I333 HydrophobicContact CE1-CD1 3.66Å; F327-I333 HydrophobicContact CE2-CD1 4.33Å; F327-I333 HydrophobicContact CG-CD1 3.57Å; F327-I333 HydrophobicContact CZ-CD1 4.14Å; I333-L348 HydrophobicContact CG1-CB 4.38Å; I333-L348 HydrophobicContact CG1-CD1 4.31Å; I333-L348 HydrophobicContact CG1-CD2 4.36Å; I333-L348 HydrophobicContact CG2-CB 4.48Å; I333-F355 HydrophobicContact CB-CZ 4.35Å; I333-F355 HydrophobicContact CD1-CE1 4.37Å; I333-F355 HydrophobicContact CD1-CE2 4.39Å; I333-F355 HydrophobicContact CD1-CZ 4.17Å; I333-F355 HydrophobicContact CG2-CE1 3.67Å; I333-F355 HydrophobicContact CG2-CZ 3.68Å; I333-V360 HydrophobicContact CD1-CG1 4.26Å
334T93.9Very high91.4Very high34 Ų3465.2 Ų65.221%0.20933%0.331CS..EExtended strand (participates in β ladder)trans-78.3121.4172.5-62.10000108.6Q308 G346 M347Q308-T334 VanDerWaalsContact CD-CG2 3.47Å; Q308-T334 HydrophobicContact CG-CG2 3.91Å; T334-G346 CarbonylContact O-C 3.39Å; T334-G346 WeakPolarHBondContact O-CA 3.16Å; T334-M347 PolarHBondContact N-O 3.19Å; T334-M347 PolarHBondContact O-N 2.95Å
335L92.8Very high91.5Very high5 Ų566.9 Ų66.93%0.02634%0.339CS..EExtended strand (participates in β ladder)trans-77.5131.2175.6-69.4171.7000109.4P309 C311 Y344 F355 V362 L366P309-L335 HydrophobicContact CB-CB 3.89Å; P309-L335 PolarHBondContact O-N 2.88Å; C311-L335 HydrophobicContact CB-CD1 4.12Å; C311-L335 HydrophobicContact CB-CD2 4.33Å; C311-L335 HydrophobicContact CB-CG 4.2Å; L335-Y344 HydrophobicContact CD2-CD1 4.11Å; L335-Y344 HydrophobicContact CD2-CD2 3.76Å; L335-Y344 HydrophobicContact CD2-CE2 4.42Å; L335-Y344 HydrophobicContact CD2-CG 3.62Å; L335-F355 HydrophobicContact CD2-CE2 4.3Å; L335-F355 HydrophobicContact CD2-CZ 3.89Å; L335-V362 HydrophobicContact CD1-CG1 4.1Å; L335-V362 HydrophobicContact CD1-CG2 4.35Å; L335-L366 HydrophobicContact CB-CD2 4.02Å; L335-L366 HydrophobicContact CB-CG 4.15Å
336T90.1Very high91.6Very high65 Ų6566.7 Ų66.740%0.39934%0.338SS..EExtended strand (participates in β ladder)trans-111.6-37.6178.752.10000112.1E345 M347T336-E345 PolarHBondContact N-O 2.96Å; T336-E345 VanDerWaalsContact OG1-C 3.3Å; T336-E345 PolarHBondContact OG1-O 3.33Å; T336-E345 VanDerWaalsContact OG1-O 3.1Å; T336-M347 HydrophobicContact CG2-CB 4.5Å
337N88.7Confident91.7Very high83 Ų8369.2 Ų69.244%0.44434%0.343SS..EExtended strand (participates in β ladder)trans-157.3161.4-179.2-165.320000111.9E345N337-E345 HydrophobicContact CB-CB 4.12Å; N337-E345 WeakPolarHBondContact CB-OE2 3.4Å; N337-E345 PolarHBondContact N-O 2.93Å; N337-E345 PolarHBondContact O-N 3.38Å
338Q90.2Very high91.5Very high85 Ų8569.5 Ų69.540%0.39735%0.345SS..EExtended strand (participates in β ladder)trans-107.9120.5167.1-172168.8-6.400108.7D340 Y344 L366Q338-D340 WeakPolarHBondContact CG-O 3.48Å; Q338-D340 PolarHBondContact NE2-O 3.11Å; Q338-Y344 HydrophobicContact CB-CD1 3.83Å; Q338-Y344 HydrophobicContact CB-CE1 3.7Å; Q338-Y344 HydrophobicContact CG-CD1 3.85Å; Q338-Y344 HydrophobicContact CG-CE1 3.61Å; Q338-L366 HydrophobicContact CB-CD1 4.02Å
339I87.7Confident91.2Very high93 Ų9367.4 Ų67.448%0.47734%0.343SS..  trans-79.2-46.2-178.1-55.3-57.5000109.7W343 E345I339-W343 HydrophobicContact CB-CB 4.16Å; I339-W343 PolarHBondContact N-O 3.43Å; I339-E345 HydrophobicContact CD1-CB 4.08Å; I339-E345 HydrophobicContact CG1-CB 4.29Å
340D87.6Confident90.7Very high75 Ų7563.9 Ų63.940%0.40134%0.344SS..SBendtrans-157.7-166.2177.46230.9000111.4Q338 N342 W343Q338-D340 WeakPolarHBondContact CG-O 3.48Å; Q338-D340 PolarHBondContact NE2-O 3.11Å; D340-N342 PolarHBondContact O-N 3.01Å; D340-N342 WeakPolarHBondContact OD1-CA 3.21Å; D340-N342 PolarHBondContact OD1-N 3.21Å; D340-W343 PolarHBondContact OD1-N 3.15Å
341E85.9Confident90.5Very high167 Ų16768.8 Ų68.878%0.7836%0.357SS*.SBendtrans-66.8-12.6179.9-61.7-175.9171.800114
342N89.5Confident90.5Very high105 Ų10570.7 Ų70.756%0.56137%0.374SS*.SBendtrans-120.7-17-173.1-60115.7000113.9D340 P356 L357D340-N342 PolarHBondContact O-N 3.01Å; D340-N342 WeakPolarHBondContact OD1-CA 3.21Å; D340-N342 PolarHBondContact OD1-N 3.21Å; N342-P356 WeakPolarHBondContact O-CA 3.23Å; N342-L357 VanDerWaalsContact C-CD1 3.43Å; N342-L357 PolarHBondContact O-N 3.21Å
343W92.4Very high90.5Very high74 Ų7466.3 Ų66.328%0.2835%0.351SS..EExtended strand (participates in β ladder)trans-127.4131.6-174.7-6987.8000114.4F317 I339 D340 F354F317-W343 HydrophobicContact CZ-CZ3 4.44Å; I339-W343 HydrophobicContact CB-CB 4.16Å; I339-W343 PolarHBondContact N-O 3.43Å; D340-W343 PolarHBondContact OD1-N 3.15Å; W343-F354 HydrophobicContact CD2-CD2 4.49Å; W343-F354 HydrophobicContact CE3-CB 4.14Å; W343-F354 AromaticContact CE3-CD2 3.63Å; W343-F354 HydrophobicContact CE3-CD2 3.63Å; W343-F354 HydrophobicContact CE3-CG 4.37Å; W343-F354 HydrophobicContact CH2-CD2 4.3Å; W343-F354 AromaticContact CZ3-CD2 3.52Å; W343-F354 HydrophobicContact CZ3-CD2 3.52Å; W343-F354 HydrophobicContact CZ3-CE2 4.19Å
344Y92.7Very high90.5Very high23 Ų2369.7 Ų69.79%0.0937%0.366CS..EExtended strand (participates in β ladder)trans-102.9150.3166.6-82-45.8000110.7L335 Q338 F354 F355 L357 V360 V362 L366L335-Y344 HydrophobicContact CD2-CD1 4.11Å; L335-Y344 HydrophobicContact CD2-CD2 3.76Å; L335-Y344 HydrophobicContact CD2-CE2 4.42Å; L335-Y344 HydrophobicContact CD2-CG 3.62Å; Q338-Y344 HydrophobicContact CB-CD1 3.83Å; Q338-Y344 HydrophobicContact CB-CE1 3.7Å; Q338-Y344 HydrophobicContact CG-CD1 3.85Å; Q338-Y344 HydrophobicContact CG-CE1 3.61Å; Y344-F354 CarbonylContact O-C 3.57Å; Y344-F354 WeakPolarHBondContact O-CA 3.35Å; Y344-F355 PolarHBondContact N-O 2.86Å; Y344-F355 PolarHBondContact O-N 3.47Å; Y344-L357 HydrophobicContact CD1-CD1 4.08Å; Y344-L357 HydrophobicContact CD2-CD1 3.55Å; Y344-L357 HydrophobicContact CD2-CD2 4.24Å; Y344-L357 HydrophobicContact CD2-CG 3.46Å; Y344-L357 VanDerWaalsContact CD2-CG 3.46Å; Y344-L357 HydrophobicContact CE1-CD1 4.23Å; Y344-L357 HydrophobicContact CE2-CD1 3.76Å; Y344-L357 HydrophobicContact CE2-CD2 3.61Å; Y344-L357 HydrophobicContact CE2-CG 3.33Å; Y344-L357 HydrophobicContact CG-CD1 3.69Å; Y344-L357 HydrophobicContact CG-CG 4.15Å; Y344-V360 HydrophobicContact CD2-CG2 4.23Å; Y344-V362 HydrophobicContact CE2-CG2 3.54Å; Y344-L366 HydrophobicContact CD1-CD1 4.19Å; Y344-L366 HydrophobicContact CE1-CD1 4.04Å
345E93.3Very high90.5Very high62 Ų6268.1 Ų68.129%0.2936%0.356SS..EExtended strand (participates in β ladder)trans-104.2137.2163.3-168.6-175.6-163.200108.5T336 N337 I339T336-E345 PolarHBondContact N-O 2.96Å; T336-E345 VanDerWaalsContact OG1-C 3.3Å; T336-E345 PolarHBondContact OG1-O 3.33Å; T336-E345 VanDerWaalsContact OG1-O 3.1Å; N337-E345 HydrophobicContact CB-CB 4.12Å; N337-E345 WeakPolarHBondContact CB-OE2 3.4Å; N337-E345 PolarHBondContact N-O 2.93Å; N337-E345 PolarHBondContact O-N 3.38Å; I339-E345 HydrophobicContact CD1-CB 4.08Å; I339-E345 HydrophobicContact CG1-CB 4.29Å
346G93.9Very high90.6Very high0 Ų068.7 Ų68.70%036%0.361CS..EExtended strand (participates in β ladder)trans-154.8-178176.900000113T334 S352 G353T334-G346 CarbonylContact O-C 3.39Å; T334-G346 WeakPolarHBondContact O-CA 3.16Å; G346-S352 WeakPolarHBondContact O-CA 3.07Å; G346-G353 PolarHBondContact N-O 3.05Å; G346-G353 PolarHBondContact O-N 2.93Å; G346-G353 VanDerWaalsContact O-N 3.09Å
347M93.1Very high90.7Very high83 Ų8367.8 Ų67.841%0.40935%0.353SS..EExtended strand (participates in β ladder)trans-130.3129.1-176.8-169.6179.5-65.700110.5T334 T336 Q351T334-M347 PolarHBondContact N-O 3.19Å; T334-M347 PolarHBondContact O-N 2.95Å; T336-M347 HydrophobicContact CG2-CB 4.5Å; M347-Q351 CarbonylContact C-O 3.58Å; M347-Q351 VanDerWaalsContact CA-O 3.25Å; M347-Q351 WeakPolarHBondContact CA-O 3.46Å; M347-Q351 WeakPolarHBondContact CG-O 3.39Å
348L91.1Very high91Very high16 Ų1667.9 Ų67.98%0.08436%0.36CS..EExtended strand (participates in β ladder)trans-134.5128.6175-176.268000108.6L325 F327 D331 L332 I333 G350 Q351L325-L348 HydrophobicContact CD1-CB 4.3Å; L325-L348 HydrophobicContact CD2-CB 3.88Å; L325-L348 HydrophobicContact CG-CB 4.36Å; F327-L348 HydrophobicContact CB-CD2 3.5Å; F327-L348 VanDerWaalsContact CB-CD2 3.5Å; D331-L348 HydrophobicContact CB-CD1 4.26Å; D331-L348 HydrophobicContact CB-CD2 4.04Å; L332-L348 VanDerWaalsContact O-CD1 3.25Å; L332-L348 WeakPolarHBondContact O-CD1 3.42Å; I333-L348 HydrophobicContact CG1-CB 4.38Å; I333-L348 HydrophobicContact CG1-CD1 4.31Å; I333-L348 HydrophobicContact CG1-CD2 4.36Å; I333-L348 HydrophobicContact CG2-CB 4.48Å; L348-G350 PolarHBondContact O-N 3.48Å; L348-Q351 PolarHBondContact N-O 3.42Å; L348-Q351 PolarHBondContact O-N 3.23Å
349H87.4Confident91.1Very high139 Ų13968.1 Ų68.164%0.64436%0.358SS*.THydrogen-bonded Turntrans53.628.7180-64-63.4000115.3R301 Q351R301-H349 PolarHBondContact NH2-CE1 3.24Å; R301-H349 VanDerWaalsContact NH2-CE1 3.28Å; H349-Q351 VanDerWaalsContact C-N 3.28Å
350G83.6Confident91.3Very high65 Ų6564.3 Ų64.367%0.6734%0.339SS*.THydrogen-bonded Turntrans812.8-178.800000114.6L348L348-G350 PolarHBondContact O-N 3.48Å
351Q87.2Confident91.6Very high137 Ų13765.7 Ų65.764%0.6434%0.344SS*.EExtended strand (participates in β ladder)trans-97134.8169.1-62-175.48.400109L325 M347 L348 H349L325-Q351 HydrophobicContact CD1-CB 3.85Å; L325-Q351 VanDerWaalsContact CD1-O 3.28Å; L325-Q351 WeakPolarHBondContact CD1-O 3.38Å; M347-Q351 CarbonylContact C-O 3.58Å; M347-Q351 VanDerWaalsContact CA-O 3.25Å; M347-Q351 WeakPolarHBondContact CA-O 3.46Å; M347-Q351 WeakPolarHBondContact CG-O 3.39Å; L348-Q351 PolarHBondContact N-O 3.42Å; L348-Q351 PolarHBondContact O-N 3.23Å; H349-Q351 VanDerWaalsContact C-N 3.28Å
352S91.3Very high91.9Very high76 Ų7660.4 Ų60.453%0.53132%0.322SS..EExtended strand (participates in β ladder)trans-109.8141.7176.454.10000110.2G346G346-S352 WeakPolarHBondContact O-CA 3.07Å
353G93.1Very high91.9Very high4 Ų459.7 Ų59.74%0.04132%0.318CS..EExtended strand (participates in β ladder)trans-176.7176.3174.600000111.9G323 G346G323-G353 CarbonylContact O-C 3.51Å; G323-G353 WeakPolarHBondContact O-CA 3.38Å; G346-G353 PolarHBondContact N-O 3.05Å; G346-G353 PolarHBondContact O-N 2.93Å; G346-G353 VanDerWaalsContact O-N 3.09Å
354F94.6Very high91.8Very high73 Ų7358 Ų5832%0.3232%0.316SS..EExtended strand (participates in β ladder)trans-97.2149.9-179.550.8-90.1000112G323 E324 L325 W343 Y344G323-F354 WeakPolarHBondContact O-CD1 3.34Å; G323-F354 WeakPolarHBondContact O-CE1 3.25Å; G323-F354 PolarHBondContact O-N 2.97Å; E324-F354 WeakPolarHBondContact CA-O 3.47Å; E324-F354 HydrophobicContact CB-CE2 4.39Å; E324-F354 HydrophobicContact CG-CD2 3.7Å; E324-F354 HydrophobicContact CG-CE2 3.22Å; E324-F354 HydrophobicContact CG-CZ 3.79Å; L325-F354 PolarHBondContact N-O 3.16Å; L325-F354 VanDerWaalsContact N-O 3.08Å; W343-F354 HydrophobicContact CD2-CD2 4.49Å; W343-F354 HydrophobicContact CE3-CB 4.14Å; W343-F354 AromaticContact CE3-CD2 3.63Å; W343-F354 HydrophobicContact CE3-CD2 3.63Å; W343-F354 HydrophobicContact CE3-CG 4.37Å; W343-F354 HydrophobicContact CH2-CD2 4.3Å; W343-F354 AromaticContact CZ3-CD2 3.52Å; W343-F354 HydrophobicContact CZ3-CD2 3.52Å; W343-F354 HydrophobicContact CZ3-CE2 4.19Å; Y344-F354 CarbonylContact O-C 3.57Å; Y344-F354 WeakPolarHBondContact O-CA 3.35Å
355F95.1Very high91.5Very high0 Ų061 Ų610%034%0.338CS..EExtended strand (participates in β ladder)trans-153.4154.7179.653.9-92.7000112.2F317 L325 F327 I333 L335 Y344 V360F317-F355 HydrophobicContact CD1-CB 4.27Å; F317-F355 HydrophobicContact CE1-CB 4.11Å; L325-F355 HydrophobicContact CB-CD1 4.11Å; L325-F355 HydrophobicContact CD2-CD1 4.06Å; L325-F355 HydrophobicContact CD2-CE1 3.97Å; F327-F355 HydrophobicContact CE1-CB 3.5Å; F327-F355 HydrophobicContact CE1-CD1 4.13Å; F327-F355 AromaticContact CE1-CD2 3.98Å; F327-F355 HydrophobicContact CE1-CD2 3.98Å; F327-F355 AromaticContact CE1-CG 3.62Å; F327-F355 HydrophobicContact CE1-CG 3.62Å; F327-F355 HydrophobicContact CZ-CB 4.1Å; F327-F355 HydrophobicContact CZ-CD2 4.24Å; F327-F355 HydrophobicContact CZ-CG 4.27Å; I333-F355 HydrophobicContact CB-CZ 4.35Å; I333-F355 HydrophobicContact CD1-CE1 4.37Å; I333-F355 HydrophobicContact CD1-CE2 4.39Å; I333-F355 HydrophobicContact CD1-CZ 4.17Å; I333-F355 HydrophobicContact CG2-CE1 3.67Å; I333-F355 HydrophobicContact CG2-CZ 3.68Å; L335-F355 HydrophobicContact CD2-CE2 4.3Å; L335-F355 HydrophobicContact CD2-CZ 3.89Å; Y344-F355 PolarHBondContact N-O 2.86Å; Y344-F355 PolarHBondContact O-N 3.47Å; F355-V360 HydrophobicContact CD2-CG1 3.81Å; F355-V360 HydrophobicContact CD2-CG2 4.34Å; F355-V360 HydrophobicContact CE2-CB 4.4Å; F355-V360 HydrophobicContact CE2-CG1 3.69Å; F355-V360 HydrophobicContact CE2-CG2 3.94Å
356P93.7Very high91.2Very high18 Ų1860 Ų6012%0.11733%0.334CS..EExtended strand (participates in β ladder)trans-72.4139.4-175.225.7-33000112.9F317 N342 S358 Y359F317-P356 HydrophobicContact CD2-CG 4.11Å; F317-P356 VanDerWaalsContact CE2-CD 3.48Å; F317-P356 HydrophobicContact CE2-CG 3.79Å; F317-P356 HydrophobicContact CZ-CG 4.41Å; N342-P356 WeakPolarHBondContact O-CA 3.23Å; P356-S358 PolarHBondContact O-N 3.06Å; P356-Y359 HydrophobicContact CB-CD2 4.19Å; P356-Y359 HydrophobicContact CG-CD2 3.55Å; P356-Y359 HydrophobicContact CG-CE2 4.13Å; P356-Y359 HydrophobicContact CG-CG 3.93Å; P356-Y359 PolarHBondContact O-N 3.1Å
357L93.1Very high90.4Very high45 Ų4565.2 Ų65.224%0.23637%0.368CS..G310 helixtrans-56.4-35.6177-99.284.9000112.8N342 Y344 Y359 V360N342-L357 VanDerWaalsContact C-CD1 3.43Å; N342-L357 PolarHBondContact O-N 3.21Å; Y344-L357 HydrophobicContact CD1-CD1 4.08Å; Y344-L357 HydrophobicContact CD2-CD1 3.55Å; Y344-L357 HydrophobicContact CD2-CD2 4.24Å; Y344-L357 HydrophobicContact CD2-CG 3.46Å; Y344-L357 VanDerWaalsContact CD2-CG 3.46Å; Y344-L357 HydrophobicContact CE1-CD1 4.23Å; Y344-L357 HydrophobicContact CE2-CD1 3.76Å; Y344-L357 HydrophobicContact CE2-CD2 3.61Å; Y344-L357 HydrophobicContact CE2-CG 3.33Å; Y344-L357 HydrophobicContact CG-CD1 3.69Å; Y344-L357 HydrophobicContact CG-CG 4.15Å; L357-Y359 PolarHBondContact O-N 3.04Å; L357-Y359 VanDerWaalsContact O-N 3.15Å; L357-V360 WeakPolarHBondContact O-CG2 3.39Å; L357-V360 PolarHBondContact O-N 3.28Å; L357-V360 VanDerWaalsContact O-O 3.13Å
358S94.1Very high88.7Confident86 Ų8674.1 Ų74.160%0.60141%0.409SS*.G310 helixtrans-66.6-14-176.551.60000114P356P356-S358 PolarHBondContact O-N 3.06Å
359Y92.4Very high88.6Confident89 Ų8977 Ų7735%0.34943%0.425SS..G310 helixtrans-95.2-4.1-178.5-81.3-118.7000113.2L314 Y315 F317 P356 L357L314-Y359 PolarHBondContact N-O 3.38Å; Y315-Y359 HydrophobicContact CD2-CD1 4.42Å; Y315-Y359 HydrophobicContact CD2-CG 4.48Å; F317-Y359 HydrophobicContact CB-CD1 4.13Å; F317-Y359 HydrophobicContact CD2-CD1 4.06Å; F317-Y359 HydrophobicContact CD2-CE1 4.17Å; P356-Y359 HydrophobicContact CB-CD2 4.19Å; P356-Y359 HydrophobicContact CG-CD2 3.55Å; P356-Y359 HydrophobicContact CG-CE2 4.13Å; P356-Y359 HydrophobicContact CG-CG 3.93Å; P356-Y359 PolarHBondContact O-N 3.1Å; L357-Y359 PolarHBondContact O-N 3.04Å; L357-Y359 VanDerWaalsContact O-N 3.15Å
360V92.9Very high88.7Confident13 Ų1373.7 Ų73.78%0.07941%0.414CS..EExtended strand (participates in β ladder)trans-133.6149.6-173.3-59.80000111.8C311 K312 F327 I333 Y344 F355 L357C311-V360 HydrophobicContact CB-CB 3.97Å; C311-V360 HydrophobicContact CB-CG2 4.12Å; K312-V360 CarbonylContact O-C 3.59Å; K312-V360 VanDerWaalsContact O-CA 3.32Å; K312-V360 WeakPolarHBondContact O-CA 3.28Å; F327-V360 HydrophobicContact CE2-CG1 4.25Å; F327-V360 HydrophobicContact CZ-CG1 3.91Å; I333-V360 HydrophobicContact CD1-CG1 4.26Å; Y344-V360 HydrophobicContact CD2-CG2 4.23Å; F355-V360 HydrophobicContact CD2-CG1 3.81Å; F355-V360 HydrophobicContact CD2-CG2 4.34Å; F355-V360 HydrophobicContact CE2-CB 4.4Å; F355-V360 HydrophobicContact CE2-CG1 3.69Å; F355-V360 HydrophobicContact CE2-CG2 3.94Å; L357-V360 WeakPolarHBondContact O-CG2 3.39Å; L357-V360 PolarHBondContact O-N 3.28Å; L357-V360 VanDerWaalsContact O-O 3.13Å
361Q93.6Very high88.9Confident105 Ų10574.2 Ų74.249%0.49140%0.4SS..EExtended strand (participates in β ladder)trans-103.2115168.1-177.8177.226.200108.8C311 K312 L314 L363C311-Q361 CarbonylContact C-O 3.59Å; C311-Q361 WeakPolarHBondContact CA-O 3.49Å; C311-Q361 WeakPolarHBondContact CB-O 3.19Å; K312-Q361 PolarHBondContact N-O 3.2Å; K312-Q361 PolarHBondContact O-N 3.4Å; L314-Q361 HydrophobicContact CD1-CB 4.16Å; L314-Q361 HydrophobicContact CD2-CB 3.93Å; L314-Q361 HydrophobicContact CG-CB 4.05Å; Q361-L363 PolarHBondContact O-N 3.02Å
362V91.4Very high89Confident55 Ų5570.5 Ų70.533%0.33339%0.385SS..EExtended strand (participates in β ladder)trans-65.1123.4175.5-178.50000109.4L335 Y344 P365L335-V362 HydrophobicContact CD1-CG1 4.1Å; L335-V362 HydrophobicContact CD1-CG2 4.35Å; Y344-V362 HydrophobicContact CE2-CG2 3.54Å; V362-P365 HydrophobicContact CG1-CB 4.17Å
363L90.1Very high88.9Confident90 Ų9070.2 Ų70.247%0.47138%0.376SS..EExtended strand (participates in β ladder)trans-95.3-45.5175.9-61-178.1000110.5S310 K312 L332 Q361S310-L363 PolarHBondContact O-N 3.3Å; K312-L363 HydrophobicContact CB-CD1 4.15Å; K312-L363 HydrophobicContact CB-CD2 4.46Å; K312-L363 HydrophobicContact CB-CG 4.3Å; L332-L363 HydrophobicContact CD2-CD1 3.62Å; Q361-L363 PolarHBondContact O-N 3.02Å
364V89.7Confident88.6Confident38 Ų3874.6 Ų74.623%0.2340%0.399CS..EExtended strand (participates in β ladder)trans-129.1116175.3-176.90000107.2Q308 P309 S310Q308-V364 WeakPolarHBondContact O-CB 3.23Å; P309-V364 CarbonylContact C-O 3.38Å; P309-V364 VanDerWaalsContact CA-O 3.25Å; P309-V364 WeakPolarHBondContact CA-O 3.43Å; S310-V364 PolarHBondContact N-O 3.26Å; S310-V364 PolarHBondContact O-N 3.24Å
365P87.1Confident88.2Confident88 Ų8874.7 Ų74.757%0.57140%0.404SS*.PPolyproline II helixtrans-70160.6-178.429.8-34.6000111.8V362V362-P365 HydrophobicContact CG1-CB 4.17Å
366L86.2Confident87.7Confident39 Ų3980.5 Ų80.520%0.20444%0.435CS..PPolyproline II helixtrans-65141.3169.8-70.4161000109.9P309 L335 Q338 Y344 Q368P309-L366 HydrophobicContact CB-CD2 3.72Å; P309-L366 HydrophobicContact CB-CG 4.19Å; P309-L366 HydrophobicContact CG-CD2 4.08Å; L335-L366 HydrophobicContact CB-CD2 4.02Å; L335-L366 HydrophobicContact CB-CG 4.15Å; Q338-L366 HydrophobicContact CB-CD1 4.02Å; Y344-L366 HydrophobicContact CD1-CD1 4.19Å; Y344-L366 HydrophobicContact CE1-CD1 4.04Å; L366-Q368 PolarHBondContact O-N 3.49Å
367P77.8Confident87.2Confident110 Ų11085.7 Ų85.771%0.71446%0.462SS*.PPolyproline II helixtrans-62.5135.2172.825-31.3000110.1
368Q57.5Low86.6Confident270 Ų27089.4 Ų89.4100%1.26248%0.482SS*.  trans-680179.1-76.5-173.2-500113.3L366L366-Q368 PolarHBondContact O-N 3.49Å

Retrieved 368 of 368 residues in 62.7 ms (Link to these results)

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