G4V6W1_SCHMA Loading...

Putative 13 kDa deflagellation-inducible protein

AlphaFold DB , UniProt , Accession G4V6W1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 113 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
1M72.4Confident90.8Very high192 Ų192117.8 Ų117.895%0.94658%0.582SS**  0-71.60-68.8-141.1-67.400113.4H3 D4 A5M1-H3 VanDerWaalsContact C-N 3.34Å; M1-H3 PolarHBondContact O-N 3.37Å; M1-D4 WeakPolarHBondContact CA-OD2 3.38Å; M1-D4 PolarHBondContact N-OD2 2.99Å; M1-D4 PolarHBondContact O-N 3Å; M1-A5 WeakPolarHBondContact O-CB 3.4Å; M1-A5 PolarHBondContact O-N 3.41Å
2K84.1Confident91.4Very high188 Ų188114.8 Ų114.882%0.81757%0.569SS**Hα-helixtrans-59-42.5-178.5-75.2-172.8179-179.60113.3Q6K2-Q6 WeakPolarHBondContact O-CG 3.43Å; K2-Q6 PolarHBondContact O-N 3.42Å; K2-Q6 VanDerWaalsContact O-N 3.15Å
3H87.6Confident91.8Very high123 Ų123111.2 Ų111.257%0.56956%0.558SS**Hα-helixtrans-65.3-49.5178.6-174.957.8000112.2M1 A5 Q6 I7M1-H3 VanDerWaalsContact C-N 3.34Å; M1-H3 PolarHBondContact O-N 3.37Å; H3-A5 VanDerWaalsContact C-N 3.28Å; H3-A5 PolarHBondContact O-N 3.03Å; H3-Q6 WeakPolarHBondContact O-CB 3.37Å; H3-Q6 PolarHBondContact O-N 3.07Å; H3-I7 WeakPolarHBondContact NE2-CD1 3.43Å; H3-I7 PolarHBondContact O-N 3.31Å
4D91.6Very high92.2Very high100 Ų100111.7 Ų111.754%0.53556%0.558SS.*Hα-helixtrans-59.9-38.6178.2-41.6-50.7000111.9M1 I7 L8M1-D4 WeakPolarHBondContact CA-OD2 3.38Å; M1-D4 PolarHBondContact N-OD2 2.99Å; M1-D4 PolarHBondContact O-N 3Å; D4-I7 PolarHBondContact O-N 2.73Å; D4-L8 WeakPolarHBondContact O-CB 3.45Å; D4-L8 PolarHBondContact O-N 3.02Å
5A92.6Very high92.6Very high60 Ų60110.7 Ų110.750%0.49655%0.554SS.*Hα-helixtrans-64.3-38.5175.400000112.6M1 H3 Q9M1-A5 WeakPolarHBondContact O-CB 3.4Å; M1-A5 PolarHBondContact O-N 3.41Å; H3-A5 VanDerWaalsContact C-N 3.28Å; H3-A5 PolarHBondContact O-N 3.03Å; A5-Q9 WeakPolarHBondContact O-CB 3.47Å; A5-Q9 PolarHBondContact O-N 3.18Å
6Q94.3Very high93Very high114 Ų114108.6 Ų108.653%0.53355%0.548SS..Hα-helixtrans-66.4-43.7175.6-74.3173.3-2000111.9K2 H3 Q9 Q10K2-Q6 WeakPolarHBondContact O-CG 3.43Å; K2-Q6 PolarHBondContact O-N 3.42Å; K2-Q6 VanDerWaalsContact O-N 3.15Å; H3-Q6 WeakPolarHBondContact O-CB 3.37Å; H3-Q6 PolarHBondContact O-N 3.07Å; Q6-Q9 PolarHBondContact O-N 3.37Å; Q6-Q10 WeakPolarHBondContact O-CG 3.45Å; Q6-Q10 PolarHBondContact O-N 3.15Å
7I94.5Very high93.3Very high58 Ų58109.5 Ų109.530%0.29755%0.548SS..Hα-helixtrans-60.8-47.2176.9-68.9170.8000110.4H3 D4 Q9 Q10 H11H3-I7 WeakPolarHBondContact NE2-CD1 3.43Å; H3-I7 PolarHBondContact O-N 3.31Å; D4-I7 PolarHBondContact O-N 2.73Å; I7-Q9 VanDerWaalsContact C-N 3.3Å; I7-Q9 PolarHBondContact O-N 3.28Å; I7-Q10 WeakPolarHBondContact O-CB 3.47Å; I7-Q10 PolarHBondContact O-N 3.04Å; I7-Q10 VanDerWaalsContact O-N 3.17Å; I7-H11 VanDerWaalsContact CG2-NE2 3.32Å; I7-H11 WeakPolarHBondContact CG2-NE2 3.37Å; I7-H11 PolarHBondContact O-CD2 2.78Å; I7-H11 PolarHBondContact O-N 2.99Å
8L94.5Very high93.5Very high100 Ų100108.5 Ų108.552%0.52454%0.544SS..Hα-helixtrans-60.6-40177.7-177.561.8000111.9D4 H11 N12D4-L8 WeakPolarHBondContact O-CB 3.45Å; D4-L8 PolarHBondContact O-N 3.02Å; L8-H11 PolarHBondContact O-N 3.22Å; L8-N12 WeakPolarHBondContact O-CB 3.49Å; L8-N12 PolarHBondContact O-N 3.35Å; L8-N12 PolarHBondContact O-ND2 3.46Å
9Q95.8Very high93.8Very high132 Ų132108.2 Ų108.262%0.61754%0.543SS*.Hα-helixtrans-64-40.8176-173.6179.97.100112.2A5 Q6 I7 T13A5-Q9 WeakPolarHBondContact O-CB 3.47Å; A5-Q9 PolarHBondContact O-N 3.18Å; Q6-Q9 PolarHBondContact O-N 3.37Å; I7-Q9 VanDerWaalsContact C-N 3.3Å; I7-Q9 PolarHBondContact O-N 3.28Å; Q9-T13 WeakPolarHBondContact O-CB 3.47Å; Q9-T13 PolarHBondContact O-N 3.44Å; Q9-T13 PolarHBondContact O-OG1 3.5Å
10Q95.8Very high94Very high131 Ų131108.1 Ų108.161%0.61254%0.541SS*.Hα-helixtrans-63.1-48.7175.4-72.5175-3.600111.1Q6 I7 N12 T13 E14Q6-Q10 WeakPolarHBondContact O-CG 3.45Å; Q6-Q10 PolarHBondContact O-N 3.15Å; I7-Q10 WeakPolarHBondContact O-CB 3.47Å; I7-Q10 PolarHBondContact O-N 3.04Å; I7-Q10 VanDerWaalsContact O-N 3.17Å; Q10-N12 PolarHBondContact O-N 3.23Å; Q10-T13 WeakPolarHBondContact O-CB 3.32Å; Q10-T13 PolarHBondContact O-N 2.93Å; Q10-E14 PolarHBondContact O-N 3Å
11H96.1Very high94.2Very high98 Ų98106.7 Ų106.745%0.45454%0.535SS..Hα-helixtrans-59.5-45.4176.2-68.7-29.5000112.3I7 L8 T13 E14 L15I7-H11 VanDerWaalsContact CG2-NE2 3.32Å; I7-H11 WeakPolarHBondContact CG2-NE2 3.37Å; I7-H11 PolarHBondContact O-CD2 2.78Å; I7-H11 PolarHBondContact O-N 2.99Å; L8-H11 PolarHBondContact O-N 3.22Å; H11-T13 VanDerWaalsContact C-N 3.28Å; H11-T13 PolarHBondContact O-N 3.17Å; H11-E14 PolarHBondContact O-N 3.25Å; H11-L15 WeakPolarHBondContact O-CB 3.3Å; H11-L15 VanDerWaalsContact O-CG 3.23Å; H11-L15 WeakPolarHBondContact O-CG 3.38Å; H11-L15 PolarHBondContact O-N 3.43Å
12N97.6Very high95.4Very high81 Ų81103.1 Ų103.143%0.43352%0.519SS..Hα-helixtrans-60.7-39177-73.4-12.9000112L8 Q10 V16L8-N12 WeakPolarHBondContact O-CB 3.49Å; L8-N12 PolarHBondContact O-N 3.35Å; L8-N12 PolarHBondContact O-ND2 3.46Å; Q10-N12 PolarHBondContact O-N 3.23Å; N12-V16 VanDerWaalsContact O-CG2 3.3Å; N12-V16 WeakPolarHBondContact O-CG2 3.36Å; N12-V16 PolarHBondContact O-N 2.9Å
13T97.1Very high96.1Very high68 Ų6896.4 Ų96.442%0.41750%0.495SS..Hα-helixtrans-65.6-41.7177.4-55.90000111.5Q9 Q10 H11 K17Q9-T13 WeakPolarHBondContact O-CB 3.47Å; Q9-T13 PolarHBondContact O-N 3.44Å; Q9-T13 PolarHBondContact O-OG1 3.5Å; Q10-T13 WeakPolarHBondContact O-CB 3.32Å; Q10-T13 PolarHBondContact O-N 2.93Å; H11-T13 VanDerWaalsContact C-N 3.28Å; H11-T13 PolarHBondContact O-N 3.17Å; T13-K17 WeakPolarHBondContact O-CG 3.23Å; T13-K17 PolarHBondContact O-N 2.89Å
14E97.5Very high96.6Very high119 Ų11995.7 Ų95.756%0.55649%0.492SS*.Hα-helixtrans-68.5-42.2177.2-171.8172.6-163.300112Q10 H11 V16 K17 L18Q10-E14 PolarHBondContact O-N 3Å; H11-E14 PolarHBondContact O-N 3.25Å; E14-V16 PolarHBondContact O-N 3.05Å; E14-K17 PolarHBondContact O-N 3.46Å; E14-L18 HydrophobicContact CG-CD1 4.21Å; E14-L18 WeakPolarHBondContact O-CG 3.39Å; E14-L18 PolarHBondContact O-N 3.28Å
15L98Very high97Very high96 Ų9697.5 Ų97.550%0.50350%0.495SS..Hα-helixtrans-59-45.7175.9-73.6170.9000111.9H11 L18 I19H11-L15 WeakPolarHBondContact O-CB 3.3Å; H11-L15 VanDerWaalsContact O-CG 3.23Å; H11-L15 WeakPolarHBondContact O-CG 3.38Å; H11-L15 PolarHBondContact O-N 3.43Å; L15-L18 PolarHBondContact O-N 2.85Å; L15-I19 VanDerWaalsContact O-CG1 3.27Å; L15-I19 WeakPolarHBondContact O-CG1 3.35Å; L15-I19 PolarHBondContact O-N 3.47Å
16V98Very high97.3Very high77 Ų77101.5 Ų101.547%0.46750%0.498SS..Hα-helixtrans-60.9-46.8177.6170.10000110.8N12 E14 L18 I19 E20N12-V16 VanDerWaalsContact O-CG2 3.3Å; N12-V16 WeakPolarHBondContact O-CG2 3.36Å; N12-V16 PolarHBondContact O-N 2.9Å; E14-V16 PolarHBondContact O-N 3.05Å; V16-L18 PolarHBondContact O-N 3.45Å; V16-I19 PolarHBondContact O-N 3.48Å; V16-E20 HydrophobicContact CG1-CG 4.41Å; V16-E20 WeakPolarHBondContact O-CG 3.32Å; V16-E20 PolarHBondContact O-N 2.92Å
17K97.9Very high97.5Very high124 Ų12499.6 Ų99.654%0.53949%0.491SS..Hα-helixtrans-59.2-45.5177.6-72.7176179.6-178.10112.3T13 E14 I19 E20 D21T13-K17 WeakPolarHBondContact O-CG 3.23Å; T13-K17 PolarHBondContact O-N 2.89Å; E14-K17 PolarHBondContact O-N 3.46Å; K17-I19 VanDerWaalsContact C-N 3.34Å; K17-I19 PolarHBondContact O-N 2.95Å; K17-E20 PolarHBondContact O-N 3.31Å; K17-D21 PolarHBondContact O-N 3.37Å
18L98Very high97.7Very high92 Ų92103 Ų10348%0.48251%0.506SS..Hα-helixtrans-64.6-38.3178.8-70.6173.8000112.2E14 L15 V16 L22E14-L18 HydrophobicContact CG-CD1 4.21Å; E14-L18 WeakPolarHBondContact O-CG 3.39Å; E14-L18 PolarHBondContact O-N 3.28Å; L15-L18 PolarHBondContact O-N 2.85Å; V16-L18 PolarHBondContact O-N 3.45Å; L18-L22 WeakPolarHBondContact O-CB 3.4Å; L18-L22 VanDerWaalsContact O-CG 3.26Å; L18-L22 WeakPolarHBondContact O-CG 3.35Å; L18-L22 PolarHBondContact O-N 3.27Å
19I98.1Very high97.9Very high102 Ų102103.4 Ų103.452%0.52351%0.508SS..Hα-helixtrans-65.9-44.4175.3-70167.3000110.6L15 V16 K17 L22 C23L15-I19 VanDerWaalsContact O-CG1 3.27Å; L15-I19 WeakPolarHBondContact O-CG1 3.35Å; L15-I19 PolarHBondContact O-N 3.47Å; V16-I19 PolarHBondContact O-N 3.48Å; K17-I19 VanDerWaalsContact C-N 3.34Å; K17-I19 PolarHBondContact O-N 2.95Å; I19-L22 PolarHBondContact O-N 2.88Å; I19-C23 PolarHBondContact O-N 3.22Å; I19-C23 PolarHBondContact O-SG 3.41Å; I19-C23 VanDerWaalsContact O-SG 3.38Å
20E98.2Very high98Very high106 Ų106101.7 Ų101.750%0.49550%0.5SS..Hα-helixtrans-59.7-46.1176.2-74.8175.8177.200111.5V16 K17 L22 C23 Q24V16-E20 HydrophobicContact CG1-CG 4.41Å; V16-E20 WeakPolarHBondContact O-CG 3.32Å; V16-E20 PolarHBondContact O-N 2.92Å; K17-E20 PolarHBondContact O-N 3.31Å; E20-L22 VanDerWaalsContact C-N 3.33Å; E20-L22 PolarHBondContact O-N 3.38Å; E20-C23 PolarHBondContact O-N 2.9Å; E20-Q24 WeakPolarHBondContact O-CG 3.26Å; E20-Q24 PolarHBondContact O-N 3.04Å
21D98.3Very high98.1Very high79 Ų79102 Ų10242%0.42250%0.499SS..Hα-helixtrans-59.6-41.9176.3-75.5-12.3000112K17 Q24 K25K17-D21 PolarHBondContact O-N 3.37Å; D21-Q24 PolarHBondContact O-N 2.97Å; D21-K25 WeakPolarHBondContact O-CG 3.5Å; D21-K25 PolarHBondContact O-N 3.43Å
22L98.6Very high98.2Very high118 Ų11899.1 Ų99.162%0.61849%0.493SS*.Hα-helixtrans-65.3-42.9176-73.7172000111.8L18 I19 E20 K25 R26L18-L22 WeakPolarHBondContact O-CB 3.4Å; L18-L22 VanDerWaalsContact O-CG 3.26Å; L18-L22 WeakPolarHBondContact O-CG 3.35Å; L18-L22 PolarHBondContact O-N 3.27Å; I19-L22 PolarHBondContact O-N 2.88Å; E20-L22 VanDerWaalsContact C-N 3.33Å; E20-L22 PolarHBondContact O-N 3.38Å; L22-K25 PolarHBondContact O-N 2.93Å; L22-R26 WeakPolarHBondContact O-CB 3.35Å; L22-R26 PolarHBondContact O-N 3.09Å
23C98.5Very high98.3Very high46 Ų4699.2 Ų99.231%0.31149%0.492SS..Hα-helixtrans-61.7-44.6175.4-730000111.5I19 E20 K25 R26 D27I19-C23 PolarHBondContact O-N 3.22Å; I19-C23 PolarHBondContact O-SG 3.41Å; I19-C23 VanDerWaalsContact O-SG 3.38Å; E20-C23 PolarHBondContact O-N 2.9Å; C23-K25 PolarHBondContact O-N 3.42Å; C23-R26 PolarHBondContact O-N 3Å; C23-D27 WeakPolarHBondContact O-CB 3.49Å; C23-D27 PolarHBondContact O-N 3.49Å
24Q98.5Very high98.4Very high109 Ų109100.1 Ų100.151%0.50949%0.494SS..Hα-helixtrans-61.3-45.4177.1-72.2179.41500112E20 D21 D27 Q28E20-Q24 WeakPolarHBondContact O-CG 3.26Å; E20-Q24 PolarHBondContact O-N 3.04Å; D21-Q24 PolarHBondContact O-N 2.97Å; Q24-D27 PolarHBondContact O-N 3.26Å; Q24-Q28 VanDerWaalsContact O-CG 3.32Å; Q24-Q28 WeakPolarHBondContact O-CG 3.43Å; Q24-Q28 PolarHBondContact O-N 3.31Å
25K98.6Very high98.4Very high137 Ų137100.9 Ų100.960%0.59650%0.497SS*.Hα-helixtrans-62.6-42.5177-75.2175.1-178.6173.70112.2D21 L22 C23 D27 Q28 L29D21-K25 WeakPolarHBondContact O-CG 3.5Å; D21-K25 PolarHBondContact O-N 3.43Å; L22-K25 PolarHBondContact O-N 2.93Å; C23-K25 PolarHBondContact O-N 3.42Å; K25-D27 VanDerWaalsContact C-N 3.33Å; K25-D27 PolarHBondContact O-N 3.33Å; K25-Q28 PolarHBondContact O-N 2.97Å; K25-L29 WeakPolarHBondContact O-CB 3.27Å; K25-L29 PolarHBondContact O-N 2.84Å
26R98.7Very high98.5Very high145 Ų145102.8 Ų102.855%0.54750%0.504SS..Hα-helixtrans-58.9-46174.1-179.5-158.765.4-158.9-5110.9L22 C23 L29 Q30L22-R26 WeakPolarHBondContact O-CB 3.35Å; L22-R26 PolarHBondContact O-N 3.09Å; C23-R26 PolarHBondContact O-N 3Å; R26-L29 PolarHBondContact O-N 2.95Å; R26-Q30 WeakPolarHBondContact O-CB 3.45Å; R26-Q30 PolarHBondContact O-N 2.94Å
27D98.6Very high98.5Very high74 Ų74102.3 Ų102.340%0.39650%0.498SS..Hα-helixtrans-70-34.4-176.7-65-8.7000111.9C23 Q24 K25 K31C23-D27 WeakPolarHBondContact O-CB 3.49Å; C23-D27 PolarHBondContact O-N 3.49Å; Q24-D27 PolarHBondContact O-N 3.26Å; K25-D27 VanDerWaalsContact C-N 3.33Å; K25-D27 PolarHBondContact O-N 3.33Å; D27-K31 WeakPolarHBondContact O-CG 3.3Å; D27-K31 PolarHBondContact O-N 3.49Å; D27-K31 VanDerWaalsContact O-N 3.09Å
28Q98.6Very high98.5Very high128 Ų128100.1 Ų100.160%0.59849%0.493SS*.Hα-helixtrans-63.4-47.6170.5-72.8172.69.400111.6Q24 K25 Q30 K31 A32Q24-Q28 VanDerWaalsContact O-CG 3.32Å; Q24-Q28 WeakPolarHBondContact O-CG 3.43Å; Q24-Q28 PolarHBondContact O-N 3.31Å; K25-Q28 PolarHBondContact O-N 2.97Å; Q28-Q30 VanDerWaalsContact C-N 3.32Å; Q28-Q30 PolarHBondContact O-N 3.45Å; Q28-K31 PolarHBondContact O-N 3.29Å; Q28-A32 PolarHBondContact O-N 3.08Å; Q28-A32 VanDerWaalsContact O-N 3.08Å
29L98.6Very high98.5Very high109 Ų109101.6 Ų101.657%0.57150%0.497SS*.Hα-helixtrans-61.5-41.9176.8-179.862.5000111.4K25 R26 K31 A32 I33K25-L29 WeakPolarHBondContact O-CB 3.27Å; K25-L29 PolarHBondContact O-N 2.84Å; R26-L29 PolarHBondContact O-N 2.95Å; L29-K31 VanDerWaalsContact C-N 3.3Å; L29-K31 PolarHBondContact O-N 3.12Å; L29-A32 PolarHBondContact O-N 3.25Å; L29-I33 HydrophobicContact CD1-CD1 4.4Å; L29-I33 HydrophobicContact CD1-CG1 4.48Å; L29-I33 HydrophobicContact CG-CD1 4Å; L29-I33 VanDerWaalsContact O-CG1 3.32Å; L29-I33 WeakPolarHBondContact O-CG1 3.44Å; L29-I33 PolarHBondContact O-N 2.92Å
30Q98.6Very high98.6Very high97 Ų97101.2 Ų101.245%0.45349%0.492SS..Hα-helixtrans-62.2-37.4177.9-17658.763.500112.2R26 Q28 I34R26-Q30 WeakPolarHBondContact O-CB 3.45Å; R26-Q30 PolarHBondContact O-N 2.94Å; Q28-Q30 VanDerWaalsContact C-N 3.32Å; Q28-Q30 PolarHBondContact O-N 3.45Å; Q30-I34 HydrophobicContact CG-CD1 4.29Å; Q30-I34 WeakPolarHBondContact O-CD1 3.37Å; Q30-I34 VanDerWaalsContact O-CG1 3.3Å; Q30-I34 WeakPolarHBondContact O-CG1 3.45Å; Q30-I34 PolarHBondContact O-N 2.98Å
31K98.7Very high98.6Very high136 Ų13699.4 Ų99.459%0.59149%0.486SS*.Hα-helixtrans-64.7-47.5173.5-73.4173.6-178.3-178.60111.5D27 Q28 L29 I33 I34 E35D27-K31 WeakPolarHBondContact O-CG 3.3Å; D27-K31 PolarHBondContact O-N 3.49Å; D27-K31 VanDerWaalsContact O-N 3.09Å; Q28-K31 PolarHBondContact O-N 3.29Å; L29-K31 VanDerWaalsContact C-N 3.3Å; L29-K31 PolarHBondContact O-N 3.12Å; K31-I33 VanDerWaalsContact C-N 3.31Å; K31-I33 PolarHBondContact O-N 3.38Å; K31-I34 PolarHBondContact O-N 3.4Å; K31-I34 VanDerWaalsContact O-N 3.12Å; K31-E35 WeakPolarHBondContact O-CG 3.48Å; K31-E35 PolarHBondContact O-N 3.4Å
32A98.6Very high98.6Very high39 Ų39103.9 Ų103.932%0.32250%0.496SS..Hα-helixtrans-59.4-41.7177.500000112.1Q28 L29 I34 E35 E36Q28-A32 PolarHBondContact O-N 3.08Å; Q28-A32 VanDerWaalsContact O-N 3.08Å; L29-A32 PolarHBondContact O-N 3.25Å; A32-I34 VanDerWaalsContact C-N 3.31Å; A32-I34 PolarHBondContact O-N 2.93Å; A32-E35 PolarHBondContact O-N 3.08Å; A32-E36 WeakPolarHBondContact O-CG 3.34Å; A32-E36 PolarHBondContact O-N 3.19Å
33I98.7Very high98.6Very high82 Ų82103 Ų10342%0.42149%0.492SS..Hα-helixtrans-59.1-42.4175.4-71.3167.1000111.5L29 K31 D37L29-I33 HydrophobicContact CD1-CD1 4.4Å; L29-I33 HydrophobicContact CD1-CG1 4.48Å; L29-I33 HydrophobicContact CG-CD1 4Å; L29-I33 VanDerWaalsContact O-CG1 3.32Å; L29-I33 WeakPolarHBondContact O-CG1 3.44Å; L29-I33 PolarHBondContact O-N 2.92Å; K31-I33 VanDerWaalsContact C-N 3.31Å; K31-I33 PolarHBondContact O-N 3.38Å; I33-D37 WeakPolarHBondContact O-CB 3.46Å; I33-D37 PolarHBondContact O-N 2.95Å
34I98.7Very high98.6Very high87 Ų87106.1 Ų106.145%0.44650%0.502SS..Hα-helixtrans-67.5-43.8179.4-68.1164.1000110.5Q30 K31 A32 D37 D38Q30-I34 HydrophobicContact CG-CD1 4.29Å; Q30-I34 WeakPolarHBondContact O-CD1 3.37Å; Q30-I34 VanDerWaalsContact O-CG1 3.3Å; Q30-I34 WeakPolarHBondContact O-CG1 3.45Å; Q30-I34 PolarHBondContact O-N 2.98Å; K31-I34 PolarHBondContact O-N 3.4Å; K31-I34 VanDerWaalsContact O-N 3.12Å; A32-I34 VanDerWaalsContact C-N 3.31Å; A32-I34 PolarHBondContact O-N 2.93Å; I34-D37 PolarHBondContact O-N 3.24Å; I34-D38 WeakPolarHBondContact O-CB 3.33Å; I34-D38 PolarHBondContact O-N 3.4Å
35E98.6Very high98.6Very high136 Ų136105.5 Ų105.564%0.63650%0.499SS*.Hα-helixtrans-61.3-45178.2-71.2172-175.400111.8K31 A32 D38 E39K31-E35 WeakPolarHBondContact O-CG 3.48Å; K31-E35 PolarHBondContact O-N 3.4Å; A32-E35 PolarHBondContact O-N 3.08Å; E35-D38 PolarHBondContact O-N 3.02Å; E35-E39 PolarHBondContact O-N 3.15Å
36E98.6Very high98.6Very high136 Ų136103 Ų10364%0.63649%0.492SS*.Hα-helixtrans-67-38.4176.2-73.3-174.9-176.100112.6A32 E39 K40A32-E36 WeakPolarHBondContact O-CG 3.34Å; A32-E36 PolarHBondContact O-N 3.19Å; E36-E39 PolarHBondContact O-N 3.46Å; E36-K40 WeakPolarHBondContact O-CB 3.32Å; E36-K40 PolarHBondContact O-N 3.47Å
37D98.6Very high98.6Very high66 Ų66102.2 Ų102.235%0.35350%0.496SS..Hα-helixtrans-65.9-41.3176.7-164.572.5000111.5I33 I34 K40 N41I33-D37 WeakPolarHBondContact O-CB 3.46Å; I33-D37 PolarHBondContact O-N 2.95Å; I34-D37 PolarHBondContact O-N 3.24Å; D37-K40 PolarHBondContact O-N 3.33Å; D37-K40 WeakPolarHBondContact OD1-CE 3.41Å; D37-K40 IonicContact OD1-NZ 2.61Å; D37-K40 PolarHBondContact OD1-NZ 3.03Å; D37-N41 WeakPolarHBondContact O-CB 3.42Å; D37-N41 PolarHBondContact O-N 3.39Å; D37-N41 PolarHBondContact O-ND2 2.9Å; D37-N41 PolarHBondContact OD2-ND2 3.34Å
38D98.6Very high98.6Very high79 Ų79104.5 Ų104.542%0.42250%0.499SS..Hα-helixtrans-61.7-43.5174.4-83.2-12.8000111.9I34 E35 N41 R42I34-D38 WeakPolarHBondContact O-CB 3.33Å; I34-D38 PolarHBondContact O-N 3.4Å; E35-D38 PolarHBondContact O-N 3.02Å; D38-N41 PolarHBondContact O-N 2.87Å; D38-R42 WeakPolarHBondContact O-CG 3.49Å; D38-R42 PolarHBondContact O-N 2.96Å; D38-R42 VanDerWaalsContact O-N 3.08Å
39E98.5Very high98.6Very high122 Ų122100.8 Ų100.857%0.5748%0.483SS*.Hα-helixtrans-63.7-46.1175.2-175.3174.2-173.100111.5E35 E36 N41 R42 L43E35-E39 PolarHBondContact O-N 3.15Å; E36-E39 PolarHBondContact O-N 3.46Å; E39-N41 VanDerWaalsContact C-N 3.29Å; E39-N41 PolarHBondContact O-N 3.05Å; E39-R42 WeakPolarHBondContact O-CB 3.34Å; E39-R42 PolarHBondContact O-N 3.4Å; E39-R42 VanDerWaalsContact O-N 3.15Å; E39-L43 HydrophobicContact CG-CD1 4.18Å; E39-L43 HydrophobicContact CG-CG 4.47Å; E39-L43 WeakPolarHBondContact O-CG 3.4Å; E39-L43 PolarHBondContact O-N 3.14Å
40K98.6Very high98.6Very high94 Ų94100.8 Ų100.841%0.40948%0.482SS..Hα-helixtrans-56.1-44.9175.5-177.1-165.574.1-161.70111.2E36 D37 R42 L43 Q44E36-K40 WeakPolarHBondContact O-CB 3.32Å; E36-K40 PolarHBondContact O-N 3.47Å; D37-K40 PolarHBondContact O-N 3.33Å; D37-K40 WeakPolarHBondContact OD1-CE 3.41Å; D37-K40 IonicContact OD1-NZ 2.61Å; D37-K40 PolarHBondContact OD1-NZ 3.03Å; K40-R42 VanDerWaalsContact C-N 3.34Å; K40-R42 PolarHBondContact O-N 2.9Å; K40-L43 PolarHBondContact O-N 2.95Å; K40-Q44 WeakPolarHBondContact O-CB 3.37Å; K40-Q44 WeakPolarHBondContact O-CG 3.47Å; K40-Q44 PolarHBondContact O-N 3.35Å
41N98.6Very high98.6Very high69 Ų6999.3 Ų99.337%0.36948%0.482SS..Hα-helixtrans-64.4-38.2180-68.8-29.9000111.6D37 D38 E39 H45D37-N41 WeakPolarHBondContact O-CB 3.42Å; D37-N41 PolarHBondContact O-N 3.39Å; D37-N41 PolarHBondContact O-ND2 2.9Å; D37-N41 PolarHBondContact OD2-ND2 3.34Å; D38-N41 PolarHBondContact O-N 2.87Å; E39-N41 VanDerWaalsContact C-N 3.29Å; E39-N41 PolarHBondContact O-N 3.05Å; N41-H45 PolarHBondContact O-N 2.98Å
42R98.6Very high98.6Very high172 Ų17296.9 Ų96.965%0.64947%0.473SS*.Hα-helixtrans-64.1-47.4173.1-69.1173.3-166.8-173.86.4111.7D38 E39 K40 Q44 H45 D46D38-R42 WeakPolarHBondContact O-CG 3.49Å; D38-R42 PolarHBondContact O-N 2.96Å; D38-R42 VanDerWaalsContact O-N 3.08Å; E39-R42 WeakPolarHBondContact O-CB 3.34Å; E39-R42 PolarHBondContact O-N 3.4Å; E39-R42 VanDerWaalsContact O-N 3.15Å; K40-R42 VanDerWaalsContact C-N 3.34Å; K40-R42 PolarHBondContact O-N 2.9Å; R42-Q44 VanDerWaalsContact C-N 3.32Å; R42-Q44 PolarHBondContact O-N 2.61Å; R42-H45 WeakPolarHBondContact O-CB 3.41Å; R42-H45 PolarHBondContact O-N 2.92Å; R42-H45 VanDerWaalsContact O-N 3.14Å; R42-D46 PolarHBondContact O-N 3.3Å
43L98.7Very high98.6Very high101 Ų101101.2 Ų101.253%0.52949%0.485SS..Hα-helixtrans-61.8-39.4178.1-69.7173.7000112.3E39 K40 D46 M47E39-L43 HydrophobicContact CG-CD1 4.18Å; E39-L43 HydrophobicContact CG-CG 4.47Å; E39-L43 WeakPolarHBondContact O-CG 3.4Å; E39-L43 PolarHBondContact O-N 3.14Å; K40-L43 PolarHBondContact O-N 2.95Å; L43-D46 PolarHBondContact O-N 3.46Å; L43-M47 VanDerWaalsContact O-CB 3.32Å; L43-M47 WeakPolarHBondContact O-CB 3.39Å; L43-M47 PolarHBondContact O-N 3.5Å
44Q98.6Very high98.6Very high111 Ų111102 Ų10252%0.51949%0.489SS..Hα-helixtrans-63.9-40174.4-75.3-178.9-7.200112.2K40 R42 M47 R48K40-Q44 WeakPolarHBondContact O-CB 3.37Å; K40-Q44 WeakPolarHBondContact O-CG 3.47Å; K40-Q44 PolarHBondContact O-N 3.35Å; R42-Q44 VanDerWaalsContact C-N 3.32Å; R42-Q44 PolarHBondContact O-N 2.61Å; Q44-M47 PolarHBondContact O-N 2.88Å; Q44-R48 PolarHBondContact O-N 3.35Å; Q44-R48 VanDerWaalsContact O-N 3.1Å
45H98.5Very high98.6Very high96 Ų96100.6 Ų100.644%0.44449%0.491SS..Hα-helixtrans-63-46.3175.3-174.883.3000111.9N41 R42 R48 I49N41-H45 PolarHBondContact O-N 2.98Å; R42-H45 WeakPolarHBondContact O-CB 3.41Å; R42-H45 PolarHBondContact O-N 2.92Å; R42-H45 VanDerWaalsContact O-N 3.14Å; H45-R48 PolarHBondContact CE1-NH2 3.23Å; H45-R48 VanDerWaalsContact CE1-NH2 3.3Å; H45-R48 WeakPolarHBondContact O-CB 3.42Å; H45-R48 PolarHBondContact O-N 3.3Å; H45-I49 WeakPolarHBondContact NE2-CD1 3.33Å; H45-I49 PolarHBondContact O-N 3.11Å; H45-I49 VanDerWaalsContact O-N 3.11Å
46D98.5Very high98.6Very high83 Ų83101.3 Ų101.344%0.44449%0.492SS..Hα-helixtrans-64.2-41.6178.2-72.7-18000111.7R42 L43 R48 I49 I50R42-D46 PolarHBondContact O-N 3.3Å; L43-D46 PolarHBondContact O-N 3.46Å; D46-R48 VanDerWaalsContact C-N 3.28Å; D46-R48 PolarHBondContact O-N 3.1Å; D46-I49 PolarHBondContact O-N 3.49Å; D46-I49 VanDerWaalsContact O-N 3.15Å; D46-I50 WeakPolarHBondContact O-CG1 3.42Å; D46-I50 PolarHBondContact O-N 2.9Å
47M98.5Very high98.6Very high129 Ų129100 Ų10064%0.63549%0.488SS*.Hα-helixtrans-57.6-41.3174.9-174.9178.1-68.700111.6L43 Q44 I50 S51L43-M47 VanDerWaalsContact O-CB 3.32Å; L43-M47 WeakPolarHBondContact O-CB 3.39Å; L43-M47 PolarHBondContact O-N 3.5Å; Q44-M47 PolarHBondContact O-N 2.88Å; M47-I50 PolarHBondContact O-N 3.41Å; M47-S51 VanDerWaalsContact O-CB 3.31Å; M47-S51 WeakPolarHBondContact O-CB 3.41Å; M47-S51 PolarHBondContact O-N 3.01Å; M47-S51 PolarHBondContact O-OG 3.15Å
48R98.5Very high98.6Very high123 Ų123100.9 Ų100.946%0.46449%0.493SS..Hα-helixtrans-62.4-47.3174.7-173.9-174.162.686.91.4111.6Q44 H45 D46 I50 S51 E52Q44-R48 PolarHBondContact O-N 3.35Å; Q44-R48 VanDerWaalsContact O-N 3.1Å; H45-R48 PolarHBondContact CE1-NH2 3.23Å; H45-R48 VanDerWaalsContact CE1-NH2 3.3Å; H45-R48 WeakPolarHBondContact O-CB 3.42Å; H45-R48 PolarHBondContact O-N 3.3Å; D46-R48 VanDerWaalsContact C-N 3.28Å; D46-R48 PolarHBondContact O-N 3.1Å; R48-I50 PolarHBondContact O-N 2.68Å; R48-S51 PolarHBondContact O-N 3.32Å; R48-E52 IonicContact CZ-OE1 3.46Å; R48-E52 IonicContact NH1-OE1 3.37Å; R48-E52 PolarHBondContact NH1-OE1 3.46Å; R48-E52 IonicContact NH1-OE2 3.39Å; R48-E52 WeakPolarHBondContact O-CG 3.43Å; R48-E52 PolarHBondContact O-N 2.85Å
49I98.6Very high98.6Very high49 Ų49101.1 Ų101.125%0.25149%0.494SS..Hα-helixtrans-60.7-45.4178.8-68.1171.6000111.2H45 D46 S51 E52 K53H45-I49 WeakPolarHBondContact NE2-CD1 3.33Å; H45-I49 PolarHBondContact O-N 3.11Å; H45-I49 VanDerWaalsContact O-N 3.11Å; D46-I49 PolarHBondContact O-N 3.49Å; D46-I49 VanDerWaalsContact O-N 3.15Å; I49-S51 VanDerWaalsContact C-N 3.33Å; I49-E52 PolarHBondContact O-N 3.24Å; I49-K53 HydrophobicContact CG2-CD 4.15Å; I49-K53 WeakPolarHBondContact O-CG 3.38Å; I49-K53 PolarHBondContact O-N 3.37Å
50I98.6Very high98.6Very high109 Ų10997.5 Ų97.556%0.55948%0.482SS*.Hα-helixtrans-63.4-42.4179-68.3167.3000110.3D46 M47 R48 E52 K53 L54D46-I50 WeakPolarHBondContact O-CG1 3.42Å; D46-I50 PolarHBondContact O-N 2.9Å; M47-I50 PolarHBondContact O-N 3.41Å; R48-I50 PolarHBondContact O-N 2.68Å; I50-E52 PolarHBondContact O-N 2.98Å; I50-K53 PolarHBondContact O-N 2.97Å; I50-L54 WeakPolarHBondContact O-CB 3.32Å; I50-L54 PolarHBondContact O-N 2.93Å
51S98.7Very high98.6Very high66 Ų6697.4 Ų97.446%0.46249%0.486SS..Hα-helixtrans-61.5-42.6177.5-60.30000111.8M47 R48 I49 L54 A55M47-S51 VanDerWaalsContact O-CB 3.31Å; M47-S51 WeakPolarHBondContact O-CB 3.41Å; M47-S51 PolarHBondContact O-N 3.01Å; M47-S51 PolarHBondContact O-OG 3.15Å; R48-S51 PolarHBondContact O-N 3.32Å; I49-S51 VanDerWaalsContact C-N 3.33Å; S51-L54 PolarHBondContact O-N 2.73Å; S51-A55 WeakPolarHBondContact O-CB 3.38Å; S51-A55 PolarHBondContact O-N 3.39Å
52E98.6Very high98.6Very high85 Ų8597.3 Ų97.340%0.39749%0.491SS..Hα-helixtrans-64.1-41.9174.9-72.8172.4-164.300112.4R48 I49 I50 A55 K56R48-E52 IonicContact CZ-OE1 3.46Å; R48-E52 IonicContact NH1-OE1 3.37Å; R48-E52 PolarHBondContact NH1-OE1 3.46Å; R48-E52 IonicContact NH1-OE2 3.39Å; R48-E52 WeakPolarHBondContact O-CG 3.43Å; R48-E52 PolarHBondContact O-N 2.85Å; I49-E52 PolarHBondContact O-N 3.24Å; I50-E52 PolarHBondContact O-N 2.98Å; E52-A55 PolarHBondContact O-N 3.22Å; E52-K56 WeakPolarHBondContact O-CG 3.31Å; E52-K56 PolarHBondContact O-N 3.34Å; E52-K56 VanDerWaalsContact O-N 3.07Å
53K98.7Very high98.6Very high131 Ų13194.8 Ų94.857%0.5748%0.484SS*.Hα-helixtrans-63.2-44.2175.5-74.5175.2179.21770111.3I49 I50 K56 I57I49-K53 HydrophobicContact CG2-CD 4.15Å; I49-K53 WeakPolarHBondContact O-CG 3.38Å; I49-K53 PolarHBondContact O-N 3.37Å; I50-K53 PolarHBondContact O-N 2.97Å; K53-K56 PolarHBondContact O-N 2.93Å; K53-I57 WeakPolarHBondContact O-CG1 3.39Å; K53-I57 PolarHBondContact O-N 3.27Å
54L98.7Very high98.6Very high97 Ų9796.6 Ų96.651%0.50849%0.488SS..Hα-helixtrans-61.8-44.6177.4-178.661.4000111.2I50 S51 K56 I57 N58I50-L54 WeakPolarHBondContact O-CB 3.32Å; I50-L54 PolarHBondContact O-N 2.93Å; S51-L54 PolarHBondContact O-N 2.73Å; L54-K56 VanDerWaalsContact C-N 3.35Å; L54-K56 PolarHBondContact O-N 3.07Å; L54-I57 PolarHBondContact O-N 3.44Å; L54-N58 WeakPolarHBondContact O-CB 3.47Å; L54-N58 PolarHBondContact O-N 3.48Å; L54-N58 PolarHBondContact O-ND2 3.49Å
55A98.7Very high98.6Very high58 Ų5895.2 Ų95.248%0.47948%0.484SS..Hα-helixtrans-59.3-43.7176.300000112.1S51 E52 I57 N58 D59S51-A55 WeakPolarHBondContact O-CB 3.38Å; S51-A55 PolarHBondContact O-N 3.39Å; E52-A55 PolarHBondContact O-N 3.22Å; A55-I57 PolarHBondContact O-N 2.89Å; A55-N58 PolarHBondContact O-N 3.02Å; A55-D59 PolarHBondContact O-N 3.01Å
56K98.7Very high98.6Very high151 Ų15194.9 Ų94.966%0.65749%0.488SS*.Hα-helixtrans-61.9-42175.4-73174.5-179175.70112.5E52 K53 L54 S60E52-K56 WeakPolarHBondContact O-CG 3.31Å; E52-K56 PolarHBondContact O-N 3.34Å; E52-K56 VanDerWaalsContact O-N 3.07Å; K53-K56 PolarHBondContact O-N 2.93Å; L54-K56 VanDerWaalsContact C-N 3.35Å; L54-K56 PolarHBondContact O-N 3.07Å; K56-S60 WeakPolarHBondContact O-CB 3.33Å; K56-S60 PolarHBondContact O-N 3.43Å
57I98.7Very high98.7Very high108 Ų10894.6 Ų94.655%0.55449%0.489SS*.Hα-helixtrans-65-44.3177-70.3169.3000110.5K53 L54 A55 D59 S60 L61K53-I57 WeakPolarHBondContact O-CG1 3.39Å; K53-I57 PolarHBondContact O-N 3.27Å; L54-I57 PolarHBondContact O-N 3.44Å; A55-I57 PolarHBondContact O-N 2.89Å; I57-D59 PolarHBondContact O-N 3.49Å; I57-S60 PolarHBondContact O-N 3.39Å; I57-L61 VanDerWaalsContact O-CB 3.29Å; I57-L61 WeakPolarHBondContact O-CB 3.27Å; I57-L61 PolarHBondContact O-N 2.79Å
58N98.7Very high98.7Very high86 Ų8694.5 Ų94.546%0.4648%0.482SS..Hα-helixtrans-61.2-44.8179-74.9-19.8000112.1L54 A55 L61 S62L54-N58 WeakPolarHBondContact O-CB 3.47Å; L54-N58 PolarHBondContact O-N 3.48Å; L54-N58 PolarHBondContact O-ND2 3.49Å; A55-N58 PolarHBondContact O-N 3.02Å; N58-L61 PolarHBondContact O-N 3.48Å; N58-S62 WeakPolarHBondContact O-CB 3.35Å; N58-S62 PolarHBondContact O-N 2.89Å
59D98.6Very high98.7Very high84 Ų8492.6 Ų92.645%0.44948%0.481SS..Hα-helixtrans-61.5-46.3174.5175.463.4000111.6A55 I57 L61 S62 K63A55-D59 PolarHBondContact O-N 3.01Å; I57-D59 PolarHBondContact O-N 3.49Å; D59-L61 VanDerWaalsContact C-N 3.34Å; D59-L61 PolarHBondContact O-N 3.24Å; D59-S62 PolarHBondContact O-N 2.89Å; D59-K63 WeakPolarHBondContact O-CG 3.36Å; D59-K63 PolarHBondContact O-N 3.43Å; D59-K63 VanDerWaalsContact OD1-CE 3.27Å; D59-K63 WeakPolarHBondContact OD1-CE 3.29Å; D59-K63 IonicContact OD1-NZ 3.86Å; D59-K63 PolarHBondContact OD1-NZ 3.26Å; D59-K63 WeakPolarHBondContact OD2-CE 3.48Å; D59-K63 IonicContact OD2-NZ 2.7Å; D59-K63 PolarHBondContact OD2-NZ 2.67Å
60S98.7Very high98.7Very high46 Ų4693.7 Ų93.732%0.32249%0.493SS..Hα-helixtrans-62-40.6176.7179.80000112.5K56 I57 K64K56-S60 WeakPolarHBondContact O-CB 3.33Å; K56-S60 PolarHBondContact O-N 3.43Å; I57-S60 PolarHBondContact O-N 3.39Å; S60-K64 VanDerWaalsContact O-CG 3.3Å; S60-K64 WeakPolarHBondContact O-CG 3.05Å; S60-K64 PolarHBondContact O-N 3.03Å
61L98.7Very high98.7Very high92 Ų9296 Ų9648%0.48250%0.496SS..Hα-helixtrans-67.2-44.8179.9-176.961.4000110.9I57 N58 D59 K63 K64 L65I57-L61 VanDerWaalsContact O-CB 3.29Å; I57-L61 WeakPolarHBondContact O-CB 3.27Å; I57-L61 PolarHBondContact O-N 2.79Å; N58-L61 PolarHBondContact O-N 3.48Å; D59-L61 VanDerWaalsContact C-N 3.34Å; D59-L61 PolarHBondContact O-N 3.24Å; L61-K63 VanDerWaalsContact C-N 3.34Å; L61-K63 PolarHBondContact O-N 3.2Å; L61-K64 PolarHBondContact O-N 3.43Å; L61-L65 HydrophobicContact CG-CD1 4.23Å; L61-L65 WeakPolarHBondContact O-CG 3.3Å; L61-L65 PolarHBondContact O-N 2.92Å
62S98.7Very high98.7Very high67 Ų6796.1 Ų96.147%0.46949%0.491SS..Hα-helixtrans-55.3-48.9174.7-1770000111.4N58 D59 K64 L65 V66N58-S62 WeakPolarHBondContact O-CB 3.35Å; N58-S62 PolarHBondContact O-N 2.89Å; D59-S62 PolarHBondContact O-N 2.89Å; S62-K64 PolarHBondContact O-N 3.43Å; S62-L65 PolarHBondContact O-N 3.42Å; S62-V66 WeakPolarHBondContact O-CG2 3.38Å; S62-V66 PolarHBondContact O-N 3.46Å
63K98.7Very high98.7Very high119 Ų11998.3 Ų98.352%0.51750%0.5SS..Hα-helixtrans-59.2-45.3176.1-71.6168.8179167.20112.5D59 L61 L65 V66 V67D59-K63 WeakPolarHBondContact O-CG 3.36Å; D59-K63 PolarHBondContact O-N 3.43Å; D59-K63 VanDerWaalsContact OD1-CE 3.27Å; D59-K63 WeakPolarHBondContact OD1-CE 3.29Å; D59-K63 IonicContact OD1-NZ 3.86Å; D59-K63 PolarHBondContact OD1-NZ 3.26Å; D59-K63 WeakPolarHBondContact OD2-CE 3.48Å; D59-K63 IonicContact OD2-NZ 2.7Å; D59-K63 PolarHBondContact OD2-NZ 2.67Å; L61-K63 VanDerWaalsContact C-N 3.34Å; L61-K63 PolarHBondContact O-N 3.2Å; K63-L65 VanDerWaalsContact C-N 3.35Å; K63-L65 PolarHBondContact O-N 3.36Å; K63-V66 PolarHBondContact O-N 2.7Å; K63-V67 WeakPolarHBondContact O-CG2 3.37Å; K63-V67 PolarHBondContact O-N 3.46Å
64K98.8Very high98.7Very high139 Ų13994.2 Ų94.260%0.60449%0.49SS*.Hα-helixtrans-62.8-40177.8-74.2174.5-177.4-179.60112.1S60 L61 S62 V67 R68S60-K64 VanDerWaalsContact O-CG 3.3Å; S60-K64 WeakPolarHBondContact O-CG 3.05Å; S60-K64 PolarHBondContact O-N 3.03Å; L61-K64 PolarHBondContact O-N 3.43Å; S62-K64 PolarHBondContact O-N 3.43Å; K64-V67 PolarHBondContact O-N 3.06Å; K64-R68 WeakPolarHBondContact O-CB 3.38Å; K64-R68 PolarHBondContact O-N 3.41Å
65L98.7Very high98.7Very high82 Ų8293.7 Ų93.743%0.42949%0.487SS..Hα-helixtrans-63.7-43.7176.9-74.5170.4000111.6L61 S62 K63 R68 N69L61-L65 HydrophobicContact CG-CD1 4.23Å; L61-L65 WeakPolarHBondContact O-CG 3.3Å; L61-L65 PolarHBondContact O-N 2.92Å; S62-L65 PolarHBondContact O-N 3.42Å; K63-L65 VanDerWaalsContact C-N 3.35Å; K63-L65 PolarHBondContact O-N 3.36Å; L65-R68 PolarHBondContact O-N 3.03Å; L65-N69 WeakPolarHBondContact O-CB 3.42Å; L65-N69 PolarHBondContact O-N 3.16Å; L65-N69 PolarHBondContact O-OD1 3.32Å
66V98.7Very high98.7Very high88 Ų8893.4 Ų93.453%0.53349%0.485SS..Hα-helixtrans-59.4-49.5175.9172.40000110.8S62 K63 R68 N69 S70S62-V66 WeakPolarHBondContact O-CG2 3.38Å; S62-V66 PolarHBondContact O-N 3.46Å; K63-V66 PolarHBondContact O-N 2.7Å; V66-R68 PolarHBondContact O-N 3.23Å; V66-N69 PolarHBondContact O-N 3.05Å; V66-S70 PolarHBondContact O-N 3.13Å; V66-S70 PolarHBondContact O-OG 3.43Å
67V98.7Very high98.7Very high78 Ų7891.1 Ų91.147%0.47348%0.476SS..Hα-helixtrans-61.2-44.5178.8170.70000111.4K63 K64 N69 S70 Y71K63-V67 WeakPolarHBondContact O-CG2 3.37Å; K63-V67 PolarHBondContact O-N 3.46Å; K64-V67 PolarHBondContact O-N 3.06Å; V67-N69 VanDerWaalsContact C-N 3.33Å; V67-N69 PolarHBondContact O-N 3.37Å; V67-S70 WeakPolarHBondContact O-CB 3.26Å; V67-S70 PolarHBondContact O-N 3.06Å; V67-S70 VanDerWaalsContact O-N 3.13Å; V67-Y71 HydrophobicContact CG1-CD2 3.85Å; V67-Y71 HydrophobicContact CG1-CE2 3.51Å; V67-Y71 VanDerWaalsContact O-CD2 3.26Å; V67-Y71 WeakPolarHBondContact O-CD2 3.46Å; V67-Y71 PolarHBondContact O-N 3.21Å
68R98.7Very high98.7Very high126 Ų12689.7 Ų89.748%0.47548%0.476SS..Hα-helixtrans-58.6-45.4175.9-172.6-77.7-58.1-148.8-8111.1K64 L65 V66 S70 Y71 D72K64-R68 WeakPolarHBondContact O-CB 3.38Å; K64-R68 PolarHBondContact O-N 3.41Å; L65-R68 PolarHBondContact O-N 3.03Å; V66-R68 PolarHBondContact O-N 3.23Å; R68-S70 VanDerWaalsContact C-N 3.25Å; R68-S70 PolarHBondContact O-N 3.35Å; R68-Y71 WeakPolarHBondContact O-CB 3.26Å; R68-Y71 PolarHBondContact O-N 2.91Å; R68-Y71 VanDerWaalsContact O-N 3.08Å; R68-D72 WeakPolarHBondContact CD-OD2 3.39Å; R68-D72 IonicContact CZ-OD2 3.69Å; R68-D72 IonicContact NE-OD2 3.76Å; R68-D72 PolarHBondContact NE-OD2 3.04Å; R68-D72 IonicContact NH1-OD2 2.68Å; R68-D72 PolarHBondContact NH1-OD2 2.86Å; R68-D72 PolarHBondContact O-N 3.27Å
69N98.6Very high98.7Very high83 Ų8391.5 Ų91.544%0.44448%0.482SS..Hα-helixtrans-62.5-33.7177.7-66.5-7.4000112.1L65 V66 V67 D72 K73L65-N69 WeakPolarHBondContact O-CB 3.42Å; L65-N69 PolarHBondContact O-N 3.16Å; L65-N69 PolarHBondContact O-OD1 3.32Å; V66-N69 PolarHBondContact O-N 3.05Å; V67-N69 VanDerWaalsContact C-N 3.33Å; V67-N69 PolarHBondContact O-N 3.37Å; N69-D72 PolarHBondContact O-N 2.93Å; N69-K73 WeakPolarHBondContact O-CB 3.42Å; N69-K73 PolarHBondContact O-N 2.75Å
70S98.6Very high98.7Very high73 Ų7393.4 Ų93.451%0.5149%0.488SS..Hα-helixtrans-65.2-40.8172.4-56.20000112.3V66 V67 R68 K73 A74V66-S70 PolarHBondContact O-N 3.13Å; V66-S70 PolarHBondContact O-OG 3.43Å; V67-S70 WeakPolarHBondContact O-CB 3.26Å; V67-S70 PolarHBondContact O-N 3.06Å; V67-S70 VanDerWaalsContact O-N 3.13Å; R68-S70 VanDerWaalsContact C-N 3.25Å; R68-S70 PolarHBondContact O-N 3.35Å; S70-K73 PolarHBondContact O-N 3.41Å; S70-A74 WeakPolarHBondContact O-CB 3.48Å; S70-A74 PolarHBondContact O-N 2.99Å
71Y98.7Very high98.6Very high156 Ų15693.7 Ų93.761%0.61249%0.493SS*.Hα-helixtrans-62.6-46.9172.6-78.4-69.5000111.9V67 R68 K73 A74 I75V67-Y71 HydrophobicContact CG1-CD2 3.85Å; V67-Y71 HydrophobicContact CG1-CE2 3.51Å; V67-Y71 VanDerWaalsContact O-CD2 3.26Å; V67-Y71 WeakPolarHBondContact O-CD2 3.46Å; V67-Y71 PolarHBondContact O-N 3.21Å; R68-Y71 WeakPolarHBondContact O-CB 3.26Å; R68-Y71 PolarHBondContact O-N 2.91Å; R68-Y71 VanDerWaalsContact O-N 3.08Å; Y71-K73 VanDerWaalsContact C-N 3.26Å; Y71-K73 PolarHBondContact O-N 3.48Å; Y71-A74 PolarHBondContact O-N 3.08Å; Y71-A74 VanDerWaalsContact O-N 3.16Å; Y71-I75 WeakPolarHBondContact O-CB 3.48Å; Y71-I75 VanDerWaalsContact O-CG1 3.26Å; Y71-I75 WeakPolarHBondContact O-CG1 3.35Å; Y71-I75 PolarHBondContact O-N 3.32Å
72D98.8Very high98.6Very high70 Ų7097 Ų9737%0.37450%0.5SS..Hα-helixtrans-56.9-43.5178.1-71.1-10.9000111.1R68 N69 I75 A76R68-D72 WeakPolarHBondContact CD-OD2 3.39Å; R68-D72 IonicContact CZ-OD2 3.69Å; R68-D72 IonicContact NE-OD2 3.76Å; R68-D72 PolarHBondContact NE-OD2 3.04Å; R68-D72 IonicContact NH1-OD2 2.68Å; R68-D72 PolarHBondContact NH1-OD2 2.86Å; R68-D72 PolarHBondContact O-N 3.27Å; N69-D72 PolarHBondContact O-N 2.93Å; D72-I75 PolarHBondContact O-N 3.27Å; D72-A76 WeakPolarHBondContact O-CB 3.46Å; D72-A76 PolarHBondContact O-N 3.43Å
73K98.7Very high98.6Very high131 Ų13197.3 Ų97.357%0.5750%0.502SS*.Hα-helixtrans-62-49.2175.6-178.3175.5173.1179.50111.9N69 S70 Y71 I75 A76 E77N69-K73 WeakPolarHBondContact O-CB 3.42Å; N69-K73 PolarHBondContact O-N 2.75Å; S70-K73 PolarHBondContact O-N 3.41Å; Y71-K73 VanDerWaalsContact C-N 3.26Å; Y71-K73 PolarHBondContact O-N 3.48Å; K73-I75 VanDerWaalsContact C-N 3.31Å; K73-I75 PolarHBondContact O-N 3.45Å; K73-A76 PolarHBondContact O-N 3.47Å; K73-E77 WeakPolarHBondContact CE-OE1 3.41Å; K73-E77 HydrophobicContact CG-CG 4.46Å; K73-E77 IonicContact NZ-OE1 2.73Å; K73-E77 WeakPolarHBondContact O-CB 3.5Å; K73-E77 WeakPolarHBondContact O-CG 3.3Å; K73-E77 PolarHBondContact O-N 2.98Å
74A98.6Very high98.6Very high44 Ų4497.3 Ų97.336%0.36450%0.502SS..Hα-helixtrans-62.5-38.5179.900000112.5S70 Y71 S78S70-A74 WeakPolarHBondContact O-CB 3.48Å; S70-A74 PolarHBondContact O-N 2.99Å; Y71-A74 PolarHBondContact O-N 3.08Å; Y71-A74 VanDerWaalsContact O-N 3.16Å; A74-S78 VanDerWaalsContact O-CB 3.3Å; A74-S78 WeakPolarHBondContact O-CB 3.39Å; A74-S78 PolarHBondContact O-N 2.93Å; A74-S78 PolarHBondContact O-OG 2.96Å
75I98.7Very high98.6Very high86 Ų8696 Ų9644%0.44150%0.501SS..Hα-helixtrans-63.9-49.4175.1-69.7165.5000110Y71 D72 K73 E77 S78 Q79Y71-I75 WeakPolarHBondContact O-CB 3.48Å; Y71-I75 VanDerWaalsContact O-CG1 3.26Å; Y71-I75 WeakPolarHBondContact O-CG1 3.35Å; Y71-I75 PolarHBondContact O-N 3.32Å; D72-I75 PolarHBondContact O-N 3.27Å; K73-I75 VanDerWaalsContact C-N 3.31Å; K73-I75 PolarHBondContact O-N 3.45Å; I75-E77 PolarHBondContact O-N 3.03Å; I75-S78 PolarHBondContact O-N 2.92Å; I75-Q79 HydrophobicContact CG2-CG 4.31Å; I75-Q79 WeakPolarHBondContact O-CB 3.38Å; I75-Q79 VanDerWaalsContact O-CG 3.28Å; I75-Q79 WeakPolarHBondContact O-CG 2.83Å; I75-Q79 PolarHBondContact O-N 3.46Å
76A98.7Very high98.5Very high53 Ų5397 Ų9744%0.43851%0.507SS..Hα-helixtrans-60.9-44179.800000112.1D72 K73 Q79 Q80D72-A76 WeakPolarHBondContact O-CB 3.46Å; D72-A76 PolarHBondContact O-N 3.43Å; K73-A76 PolarHBondContact O-N 3.47Å; A76-Q79 PolarHBondContact O-N 3.26Å; A76-Q80 WeakPolarHBondContact O-CB 3.28Å; A76-Q80 PolarHBondContact O-N 2.86Å
77E98.6Very high98.5Very high103 Ų10398.9 Ų98.948%0.48151%0.509SS..Hα-helixtrans-62.4-43.7176.2-73.2174174.400111.6K73 I75 Q80 A81K73-E77 WeakPolarHBondContact CE-OE1 3.41Å; K73-E77 HydrophobicContact CG-CG 4.46Å; K73-E77 IonicContact NZ-OE1 2.73Å; K73-E77 WeakPolarHBondContact O-CB 3.5Å; K73-E77 WeakPolarHBondContact O-CG 3.3Å; K73-E77 PolarHBondContact O-N 2.98Å; I75-E77 PolarHBondContact O-N 3.03Å; E77-Q80 PolarHBondContact O-N 2.96Å; E77-A81 WeakPolarHBondContact O-CB 3.45Å; E77-A81 PolarHBondContact O-N 2.95Å
78S98.4Very high98.4Very high78 Ų78100 Ų10055%0.54551%0.513SS..Hα-helixtrans-65.2-43.1177.9-59.90000112.1A74 I75 Q80 A81 Y82A74-S78 VanDerWaalsContact O-CB 3.3Å; A74-S78 WeakPolarHBondContact O-CB 3.39Å; A74-S78 PolarHBondContact O-N 2.93Å; A74-S78 PolarHBondContact O-OG 2.96Å; I75-S78 PolarHBondContact O-N 2.92Å; S78-Q80 VanDerWaalsContact C-N 3.35Å; S78-A81 PolarHBondContact O-N 3.11Å; S78-Y82 WeakPolarHBondContact O-CB 3.5Å; S78-Y82 PolarHBondContact O-N 2.9Å
79Q98.5Very high98.4Very high124 Ų12497 Ų9758%0.57951%0.511SS*.Hα-helixtrans-63-41.5175.7-74.6174.4-16.200111.4I75 A76 Y82 S83I75-Q79 HydrophobicContact CG2-CG 4.31Å; I75-Q79 WeakPolarHBondContact O-CB 3.38Å; I75-Q79 VanDerWaalsContact O-CG 3.28Å; I75-Q79 WeakPolarHBondContact O-CG 2.83Å; I75-Q79 PolarHBondContact O-N 3.46Å; A76-Q79 PolarHBondContact O-N 3.26Å; Q79-Y82 PolarHBondContact O-N 3.1Å; Q79-S83 PolarHBondContact O-N 2.94Å; Q79-S83 PolarHBondContact O-OG 3.33Å; Q79-S83 VanDerWaalsContact O-OG 3.13Å
80Q98.6Very high98.3Very high123 Ų123100 Ų10058%0.57552%0.517SS*.Hα-helixtrans-63.6-43.6176.1-173-176.663.900111.6A76 E77 S78 S83 K84A76-Q80 WeakPolarHBondContact O-CB 3.28Å; A76-Q80 PolarHBondContact O-N 2.86Å; E77-Q80 PolarHBondContact O-N 2.96Å; S78-Q80 VanDerWaalsContact C-N 3.35Å; Q80-S83 PolarHBondContact O-N 3.22Å; Q80-K84 PolarHBondContact O-N 3.44Å
81A98.4Very high98.3Very high52 Ų52100.2 Ų100.243%0.4352%0.515SS..Hα-helixtrans-62.4-43.317600000111.6E77 S78 K84 L85E77-A81 WeakPolarHBondContact O-CB 3.45Å; E77-A81 PolarHBondContact O-N 2.95Å; S78-A81 PolarHBondContact O-N 3.11Å; A81-K84 WeakPolarHBondContact O-CB 3.41Å; A81-K84 PolarHBondContact O-N 3.36Å; A81-L85 PolarHBondContact O-N 3.36Å; A81-L85 VanDerWaalsContact O-N 3.1Å
82Y98.3Very high98.3Very high162 Ų16297.9 Ų97.964%0.63551%0.513SS*.Hα-helixtrans-63-42.4177.6-172.6-99.8000112.5S78 Q79 K84 L85 L86S78-Y82 WeakPolarHBondContact O-CB 3.5Å; S78-Y82 PolarHBondContact O-N 2.9Å; Q79-Y82 PolarHBondContact O-N 3.1Å; Y82-K84 VanDerWaalsContact C-N 3.29Å; Y82-K84 PolarHBondContact O-N 3.26Å; Y82-L85 WeakPolarHBondContact O-CB 3.48Å; Y82-L85 PolarHBondContact O-N 3.34Å; Y82-L85 VanDerWaalsContact O-N 3.11Å; Y82-L86 PolarHBondContact O-N 2.67Å
83S98.4Very high98.2Very high73 Ų7398.7 Ų98.751%0.5152%0.516SS..Hα-helixtrans-59-39.2175-66.90000112.5Q79 Q80 L86 E87Q79-S83 PolarHBondContact O-N 2.94Å; Q79-S83 PolarHBondContact O-OG 3.33Å; Q79-S83 VanDerWaalsContact O-OG 3.13Å; Q80-S83 PolarHBondContact O-N 3.22Å; S83-L86 PolarHBondContact O-N 3.44Å; S83-E87 PolarHBondContact O-N 2.99Å
84K98.4Very high98.2Very high119 Ų11995.3 Ų95.352%0.51751%0.505SS..Hα-helixtrans-65.6-39174.3-69.9176.5179.3176.10112.3Q80 A81 Y82 L86 E87 N88Q80-K84 PolarHBondContact O-N 3.44Å; A81-K84 WeakPolarHBondContact O-CB 3.41Å; A81-K84 PolarHBondContact O-N 3.36Å; Y82-K84 VanDerWaalsContact C-N 3.29Å; Y82-K84 PolarHBondContact O-N 3.26Å; K84-L86 VanDerWaalsContact C-N 3.33Å; K84-E87 PolarHBondContact O-N 2.87Å; K84-N88 WeakPolarHBondContact O-CB 3.36Å; K84-N88 PolarHBondContact O-N 3.38Å; K84-N88 PolarHBondContact O-ND2 3.35Å
85L97.9Very high98.1Very high113 Ų11396.7 Ų96.759%0.59251%0.509SS*.Hα-helixtrans-63.2-41.4174.8-69.5176.6000111.5A81 Y82 N88 S89A81-L85 PolarHBondContact O-N 3.36Å; A81-L85 VanDerWaalsContact O-N 3.1Å; Y82-L85 WeakPolarHBondContact O-CB 3.48Å; Y82-L85 PolarHBondContact O-N 3.34Å; Y82-L85 VanDerWaalsContact O-N 3.11Å; L85-N88 PolarHBondContact O-N 3.35Å; L85-S89 WeakPolarHBondContact O-CB 3.41Å; L85-S89 PolarHBondContact O-N 3.13Å
86L98Very high98.1Very high103 Ų10397.4 Ų97.454%0.53951%0.512SS..Hα-helixtrans-61.5-47.6176.7-176.363.4000111.2Y82 S83 K84 N88 S89 Y90Y82-L86 PolarHBondContact O-N 2.67Å; S83-L86 PolarHBondContact O-N 3.44Å; K84-L86 VanDerWaalsContact C-N 3.33Å; L86-N88 PolarHBondContact O-N 3.02Å; L86-S89 PolarHBondContact O-N 3.22Å; L86-S89 PolarHBondContact O-OG 3.45Å; L86-Y90 PolarHBondContact O-N 3.48Å
87E98Very high98Very high126 Ų126100.2 Ų100.259%0.58952%0.515SS*.Hα-helixtrans-57.9-48.8175.4-176.1178.5-17200111.8S83 K84 S89 Y90 V91S83-E87 PolarHBondContact O-N 2.99Å; K84-E87 PolarHBondContact O-N 2.87Å; E87-S89 VanDerWaalsContact C-N 3.3Å; E87-S89 PolarHBondContact O-N 2.93Å; E87-Y90 WeakPolarHBondContact O-CB 3.39Å; E87-Y90 PolarHBondContact O-N 3.37Å; E87-Y90 VanDerWaalsContact O-N 3.14Å; E87-V91 WeakPolarHBondContact O-CG2 3.43Å; E87-V91 PolarHBondContact O-N 3.41Å
88N97.7Very high97.9Very high103 Ų10398.2 Ų98.255%0.55151%0.512SS*.Hα-helixtrans-60.1-39.8177.4-72.1-18.7000112.2K84 L85 L86 Y90 V91 L92K84-N88 WeakPolarHBondContact O-CB 3.36Å; K84-N88 PolarHBondContact O-N 3.38Å; K84-N88 PolarHBondContact O-ND2 3.35Å; L85-N88 PolarHBondContact O-N 3.35Å; L86-N88 PolarHBondContact O-N 3.02Å; N88-Y90 VanDerWaalsContact C-N 3.34Å; N88-V91 PolarHBondContact O-N 2.97Å; N88-L92 WeakPolarHBondContact O-CB 3.36Å; N88-L92 PolarHBondContact O-N 3.35Å
89S98Very high97.8Very high62 Ų6298.1 Ų98.143%0.43451%0.505SS..Hα-helixtrans-65.4-37.7177.377.60000112.1L85 L86 E87 L92 L93L85-S89 WeakPolarHBondContact O-CB 3.41Å; L85-S89 PolarHBondContact O-N 3.13Å; L86-S89 PolarHBondContact O-N 3.22Å; L86-S89 PolarHBondContact O-OG 3.45Å; E87-S89 VanDerWaalsContact C-N 3.3Å; E87-S89 PolarHBondContact O-N 2.93Å; S89-L92 PolarHBondContact O-N 2.91Å; S89-L93 WeakPolarHBondContact O-CB 3.43Å; S89-L93 PolarHBondContact O-N 2.92Å
90Y97.2Very high97.7Very high147 Ų14797.4 Ų97.458%0.57650%0.502SS*.Hα-helixtrans-65.7-45.9175.8174.3-101.2000111.3L86 E87 N88 L92 L93 N94L86-Y90 PolarHBondContact O-N 3.48Å; E87-Y90 WeakPolarHBondContact O-CB 3.39Å; E87-Y90 PolarHBondContact O-N 3.37Å; E87-Y90 VanDerWaalsContact O-N 3.14Å; N88-Y90 VanDerWaalsContact C-N 3.34Å; Y90-L92 PolarHBondContact O-N 3.14Å; Y90-L93 PolarHBondContact O-N 2.95Å; Y90-N94 WeakPolarHBondContact CE1-ND2 3.17Å; Y90-N94 PolarHBondContact O-N 3.47Å; Y90-N94 PolarHBondContact O-ND2 2.84Å; Y90-N94 PolarHBondContact OH-ND2 3.32Å
91V97.9Very high97.6Very high77 Ų7796.5 Ų96.547%0.46750%0.497SS..Hα-helixtrans-58.9-48.3174.9173.20000110.6E87 N88 L93 N94 V95E87-V91 WeakPolarHBondContact O-CG2 3.43Å; E87-V91 PolarHBondContact O-N 3.41Å; N88-V91 PolarHBondContact O-N 2.97Å; V91-L93 PolarHBondContact O-N 2.73Å; V91-N94 PolarHBondContact O-N 3.36Å; V91-V95 WeakPolarHBondContact O-CG2 3.38Å; V91-V95 PolarHBondContact O-N 3.49Å
92L97.8Very high97.4Very high106 Ų10699.6 Ų99.656%0.55550%0.501SS*.Hα-helixtrans-59.8-45.7178.9-178.962.5000112N88 S89 Y90 N94 V95 L96N88-L92 WeakPolarHBondContact O-CB 3.36Å; N88-L92 PolarHBondContact O-N 3.35Å; S89-L92 PolarHBondContact O-N 2.91Å; Y90-L92 PolarHBondContact O-N 3.14Å; L92-N94 VanDerWaalsContact C-N 3.32Å; L92-N94 PolarHBondContact O-N 3.45Å; L92-V95 PolarHBondContact O-N 3.34Å; L92-L96 HydrophobicContact CD1-CD1 4.49Å; L92-L96 HydrophobicContact CD1-CG 4.44Å; L92-L96 HydrophobicContact CG-CD1 4.25Å; L92-L96 WeakPolarHBondContact O-CG 3.49Å; L92-L96 PolarHBondContact O-N 2.93Å
93L97.9Very high97.3Very high87 Ų8797.8 Ų97.846%0.45550%0.5SS..Hα-helixtrans-58.5-43.4177.517862.4000111.8S89 Y90 V91 L96 K97S89-L93 WeakPolarHBondContact O-CB 3.43Å; S89-L93 PolarHBondContact O-N 2.92Å; Y90-L93 PolarHBondContact O-N 2.95Å; V91-L93 PolarHBondContact O-N 2.73Å; L93-L96 PolarHBondContact O-N 3.25Å; L93-K97 HydrophobicContact CG-CD 4.49Å; L93-K97 WeakPolarHBondContact O-CG 3.42Å; L93-K97 PolarHBondContact O-N 3.07Å
94N97.8Very high97Very high61 Ų6199.5 Ų99.533%0.32650%0.498SS..Hα-helixtrans-67.4-40179.3-73.9-21.2000112.3Y90 V91 L92 K97 C98Y90-N94 WeakPolarHBondContact CE1-ND2 3.17Å; Y90-N94 PolarHBondContact O-N 3.47Å; Y90-N94 PolarHBondContact O-ND2 2.84Å; Y90-N94 PolarHBondContact OH-ND2 3.32Å; V91-N94 PolarHBondContact O-N 3.36Å; L92-N94 VanDerWaalsContact C-N 3.32Å; L92-N94 PolarHBondContact O-N 3.45Å; N94-K97 PolarHBondContact O-N 2.98Å; N94-C98 WeakPolarHBondContact O-CB 3.4Å; N94-C98 PolarHBondContact O-N 3.21Å
95V97.7Very high96.8Very high73 Ų7397.7 Ų97.744%0.44249%0.494SS..Hα-helixtrans-61-45.1173.1171.20000110.7V91 L92 C98 N99V91-V95 WeakPolarHBondContact O-CG2 3.38Å; V91-V95 PolarHBondContact O-N 3.49Å; L92-V95 PolarHBondContact O-N 3.34Å; V95-C98 PolarHBondContact O-N 3.36Å; V95-N99 WeakPolarHBondContact O-CB 3.37Å; V95-N99 PolarHBondContact O-N 3.17Å; V95-N99 PolarHBondContact O-ND2 3.01Å
96L97.5Very high96.5Very high100 Ų10098.6 Ų98.652%0.52449%0.493SS..Hα-helixtrans-63.6-43.7178.1-73.2176000112.4L92 L93 C98 N99 Q100L92-L96 HydrophobicContact CD1-CD1 4.49Å; L92-L96 HydrophobicContact CD1-CG 4.44Å; L92-L96 HydrophobicContact CG-CD1 4.25Å; L92-L96 WeakPolarHBondContact O-CG 3.49Å; L92-L96 PolarHBondContact O-N 2.93Å; L93-L96 PolarHBondContact O-N 3.25Å; L96-C98 PolarHBondContact O-N 3.29Å; L96-N99 PolarHBondContact O-N 3.4Å; L96-Q100 WeakPolarHBondContact O-CB 3.44Å; L96-Q100 PolarHBondContact O-N 3.49Å
97K97.1Very high96.3Very high112 Ų11299.8 Ų99.849%0.48749%0.494SS..Hα-helixtrans-59.4-46.2174.8-76.3179.4177.9178.40111.9L93 N94 N99 Q100 E101L93-K97 HydrophobicContact CG-CD 4.49Å; L93-K97 WeakPolarHBondContact O-CG 3.42Å; L93-K97 PolarHBondContact O-N 3.07Å; N94-K97 PolarHBondContact O-N 2.98Å; K97-N99 VanDerWaalsContact C-N 3.35Å; K97-N99 PolarHBondContact O-N 3.48Å; K97-Q100 WeakPolarHBondContact O-CB 3.41Å; K97-Q100 PolarHBondContact O-N 3.23Å; K97-E101 PolarHBondContact O-N 3.12Å
98C96.2Very high96Very high62 Ų6295.9 Ų95.942%0.41948%0.484SS..Hα-helixtrans-60.7-44.1177.4-179.30000111.9N94 V95 L96 E101 K102N94-C98 WeakPolarHBondContact O-CB 3.4Å; N94-C98 PolarHBondContact O-N 3.21Å; V95-C98 PolarHBondContact O-N 3.36Å; L96-C98 PolarHBondContact O-N 3.29Å; C98-E101 PolarHBondContact O-N 3.38Å; C98-K102 WeakPolarHBondContact O-CG 3.47Å; C98-K102 PolarHBondContact O-N 2.9Å; C98-K102 VanDerWaalsContact O-N 3.12Å; C98-K102 VanDerWaalsContact SG-CE 3.6Å
99N96.9Very high95.7Very high76 Ų7698 Ų9841%0.40649%0.488SS..Hα-helixtrans-65.3-39.7175.9-72.4-19.6000111.9V95 L96 K97 K102 M103V95-N99 WeakPolarHBondContact O-CB 3.37Å; V95-N99 PolarHBondContact O-N 3.17Å; V95-N99 PolarHBondContact O-ND2 3.01Å; L96-N99 PolarHBondContact O-N 3.4Å; K97-N99 VanDerWaalsContact C-N 3.35Å; K97-N99 PolarHBondContact O-N 3.48Å; N99-K102 PolarHBondContact O-N 3.46Å; N99-M103 VanDerWaalsContact O-CG 3.23Å; N99-M103 WeakPolarHBondContact O-CG 3.23Å; N99-M103 PolarHBondContact O-N 2.91Å
100Q96.7Very high95.3Very high109 Ų10999.8 Ų99.851%0.50950%0.497SS..Hα-helixtrans-60.9-46176.8-172.1-178.914.100111.8L96 K97 M103 K104L96-Q100 WeakPolarHBondContact O-CB 3.44Å; L96-Q100 PolarHBondContact O-N 3.49Å; K97-Q100 WeakPolarHBondContact O-CB 3.41Å; K97-Q100 PolarHBondContact O-N 3.23Å; Q100-M103 PolarHBondContact O-N 3.46Å; Q100-M103 VanDerWaalsContact O-N 3.17Å; Q100-K104 WeakPolarHBondContact O-CG 3.28Å; Q100-K104 PolarHBondContact O-N 2.97Å
101E95.6Very high94.7Very high103 Ų103100.4 Ų100.448%0.48150%0.499SS..Hα-helixtrans-63.4-41.7177.3-68-53.4123.900112.1K97 C98 M103 K104 D105K97-E101 PolarHBondContact O-N 3.12Å; C98-E101 PolarHBondContact O-N 3.38Å; E101-M103 VanDerWaalsContact C-N 3.27Å; E101-M103 PolarHBondContact O-N 3.02Å; E101-K104 PolarHBondContact O-N 3.44Å; E101-K104 IonicContact OE1-NZ 2.67Å; E101-K104 PolarHBondContact OE1-NZ 3.15Å; E101-D105 PolarHBondContact O-N 3.01Å
102K95Very high93.4Very high118 Ų118101.4 Ų101.451%0.51351%0.505SS..Hα-helixtrans-60-37.9172.8-71.3171.9-177.5171.40112.3C98 N99 K106C98-K102 WeakPolarHBondContact O-CG 3.47Å; C98-K102 PolarHBondContact O-N 2.9Å; C98-K102 VanDerWaalsContact O-N 3.12Å; C98-K102 VanDerWaalsContact SG-CE 3.6Å; N99-K102 PolarHBondContact O-N 3.46Å; K102-K106 WeakPolarHBondContact O-CG 3.33Å; K102-K106 PolarHBondContact O-N 2.85Å
103M94.9Very high91.5Very high124 Ų124106 Ų10661%0.61154%0.541SS*.Hα-helixtrans-72.7-34.8177.8-67.5-63.6-108.300111.9N99 Q100 E101 K106 F107N99-M103 VanDerWaalsContact O-CG 3.23Å; N99-M103 WeakPolarHBondContact O-CG 3.23Å; N99-M103 PolarHBondContact O-N 2.91Å; Q100-M103 PolarHBondContact O-N 3.46Å; Q100-M103 VanDerWaalsContact O-N 3.17Å; E101-M103 VanDerWaalsContact C-N 3.27Å; E101-M103 PolarHBondContact O-N 3.02Å; M103-K106 PolarHBondContact O-N 3.11Å; M103-K106 HydrophobicContact SD-CD 4.28Å; M103-F107 VanDerWaalsContact O-CB 3.28Å; M103-F107 WeakPolarHBondContact O-CB 3.36Å; M103-F107 PolarHBondContact O-N 3.45Å
104K94Very high91.2Very high108 Ų108106.9 Ų106.947%0.4755%0.546SS..Hα-helixtrans-63.2-46171.9-72.8176.7-176.1167.70112Q100 E101 K106 F107 A108Q100-K104 WeakPolarHBondContact O-CG 3.28Å; Q100-K104 PolarHBondContact O-N 2.97Å; E101-K104 PolarHBondContact O-N 3.44Å; E101-K104 IonicContact OE1-NZ 2.67Å; E101-K104 PolarHBondContact OE1-NZ 3.15Å; K104-K106 PolarHBondContact O-N 3.45Å; K104-F107 PolarHBondContact O-N 3.23Å; K104-A108 WeakPolarHBondContact O-CB 3.49Å; K104-A108 PolarHBondContact O-N 3.46Å
105D92.5Very high90.8Very high81 Ų81109.3 Ų109.343%0.43356%0.557SS.*Hα-helixtrans-59.8-45.4175.6173.864000111.4E101 A108 K109E101-D105 PolarHBondContact O-N 3.01Å; D105-A108 PolarHBondContact O-N 3.06Å; D105-K109 VanDerWaalsContact CG-NZ 3.34Å; D105-K109 WeakPolarHBondContact O-CG 3.47Å; D105-K109 PolarHBondContact O-N 3.04Å; D105-K109 VanDerWaalsContact OD1-CE 3.22Å; D105-K109 WeakPolarHBondContact OD1-CE 3.33Å; D105-K109 IonicContact OD1-NZ 3.2Å; D105-K109 PolarHBondContact OD1-NZ 3.02Å; D105-K109 WeakPolarHBondContact OD2-CE 3.22Å; D105-K109 IonicContact OD2-NZ 2.7Å; D105-K109 PolarHBondContact OD2-NZ 3.18Å
106K93.2Very high90.5Very high132 Ų132111.3 Ų111.357%0.57456%0.563SS**Hα-helixtrans-60.2-45.6173.4-75.9179.9178.2-173.60112.2K102 M103 K104 K109 T110K102-K106 WeakPolarHBondContact O-CG 3.33Å; K102-K106 PolarHBondContact O-N 2.85Å; M103-K106 PolarHBondContact O-N 3.11Å; M103-K106 HydrophobicContact SD-CD 4.28Å; K104-K106 PolarHBondContact O-N 3.45Å; K106-K109 PolarHBondContact O-N 2.84Å; K106-T110 PolarHBondContact O-N 3.2Å; K106-T110 PolarHBondContact O-OG1 2.7Å; K106-T110 VanDerWaalsContact O-OG1 3.04Å
107F93.1Very high90Very high128 Ų128112 Ų11256%0.56157%0.566SS**Hα-helixtrans-62.5-46.3179.2-173.4-86.4000111.4M103 K104 K109 T110 Y111M103-F107 VanDerWaalsContact O-CB 3.28Å; M103-F107 WeakPolarHBondContact O-CB 3.36Å; M103-F107 PolarHBondContact O-N 3.45Å; K104-F107 PolarHBondContact O-N 3.23Å; F107-K109 PolarHBondContact O-N 2.83Å; F107-T110 PolarHBondContact O-N 3.5Å; F107-T110 VanDerWaalsContact O-N 3.11Å; F107-Y111 AromaticContact CD1-CD2 3.93Å; F107-Y111 HydrophobicContact CD1-CD2 3.93Å; F107-Y111 AromaticContact CD2-CD2 3.6Å; F107-Y111 HydrophobicContact CD2-CD2 3.6Å; F107-Y111 AromaticContact CD2-CE2 3.55Å; F107-Y111 HydrophobicContact CD2-CE2 3.55Å; F107-Y111 AromaticContact CE1-CD2 3.76Å; F107-Y111 HydrophobicContact CE1-CD2 3.76Å; F107-Y111 HydrophobicContact CE1-CE2 4.45Å; F107-Y111 HydrophobicContact CE1-CG 4.19Å; F107-Y111 AromaticContact CE2-CD2 3.42Å; F107-Y111 HydrophobicContact CE2-CD2 3.42Å; F107-Y111 VanDerWaalsContact CE2-CD2 3.42Å; F107-Y111 AromaticContact CE2-CE2 3.27Å; F107-Y111 HydrophobicContact CE2-CE2 3.27Å; F107-Y111 HydrophobicContact CE2-CG 4.37Å; F107-Y111 AromaticContact CG-CD2 3.85Å; F107-Y111 HydrophobicContact CG-CD2 3.85Å; F107-Y111 HydrophobicContact CG-CE2 4.26Å; F107-Y111 AromaticContact CZ-CD2 3.5Å; F107-Y111 HydrophobicContact CZ-CD2 3.5Å; F107-Y111 VanDerWaalsContact CZ-CD2 3.5Å; F107-Y111 AromaticContact CZ-CE2 3.77Å; F107-Y111 HydrophobicContact CZ-CE2 3.77Å; F107-Y111 HydrophobicContact CZ-CG 4.05Å; F107-Y111 WeakPolarHBondContact O-CD2 3.46Å; F107-Y111 PolarHBondContact O-N 3.06Å
108A91.9Very high89.6Confident44 Ų44112 Ų11236%0.36457%0.571SS.*Hα-helixtrans-56.6-50.1175.800000110.9K104 D105 T110 Y111 T112K104-A108 WeakPolarHBondContact O-CB 3.49Å; K104-A108 PolarHBondContact O-N 3.46Å; D105-A108 PolarHBondContact O-N 3.06Å; A108-T110 PolarHBondContact O-N 2.95Å; A108-Y111 PolarHBondContact O-N 3.04Å; A108-Y111 VanDerWaalsContact O-N 3.15Å; A108-T112 PolarHBondContact O-N 3.38Å; A108-T112 PolarHBondContact O-OG1 3.36Å
109K90.9Very high89.2Confident147 Ų147115.3 Ų115.364%0.63958%0.581SS**Hα-helixtrans-59.2-27.5176.5-72.5169.8179.4164.20114.4D105 K106 F107D105-K109 VanDerWaalsContact CG-NZ 3.34Å; D105-K109 WeakPolarHBondContact O-CG 3.47Å; D105-K109 PolarHBondContact O-N 3.04Å; D105-K109 VanDerWaalsContact OD1-CE 3.22Å; D105-K109 WeakPolarHBondContact OD1-CE 3.33Å; D105-K109 IonicContact OD1-NZ 3.2Å; D105-K109 PolarHBondContact OD1-NZ 3.02Å; D105-K109 WeakPolarHBondContact OD2-CE 3.22Å; D105-K109 IonicContact OD2-NZ 2.7Å; D105-K109 PolarHBondContact OD2-NZ 3.18Å; K106-K109 PolarHBondContact O-N 2.84Å; F107-K109 PolarHBondContact O-N 2.83Å
110T90.7Very high88.6Confident100 Ų100118.1 Ų118.161%0.61359%0.593SS**Hα-helixtrans-84.2-29.5177.8-590000113.1K106 F107 A108K106-T110 PolarHBondContact O-N 3.2Å; K106-T110 PolarHBondContact O-OG1 2.7Å; K106-T110 VanDerWaalsContact O-OG1 3.04Å; F107-T110 PolarHBondContact O-N 3.5Å; F107-T110 VanDerWaalsContact O-N 3.11Å; A108-T110 PolarHBondContact O-N 2.95Å
111Y84.5Confident88Confident161 Ų161118.8 Ų118.863%0.63160%0.6SS**Hα-helixtrans-119.6-6.3-168.2-69.3-79.2000116F107 A108F107-Y111 AromaticContact CD1-CD2 3.93Å; F107-Y111 HydrophobicContact CD1-CD2 3.93Å; F107-Y111 AromaticContact CD2-CD2 3.6Å; F107-Y111 HydrophobicContact CD2-CD2 3.6Å; F107-Y111 AromaticContact CD2-CE2 3.55Å; F107-Y111 HydrophobicContact CD2-CE2 3.55Å; F107-Y111 AromaticContact CE1-CD2 3.76Å; F107-Y111 HydrophobicContact CE1-CD2 3.76Å; F107-Y111 HydrophobicContact CE1-CE2 4.45Å; F107-Y111 HydrophobicContact CE1-CG 4.19Å; F107-Y111 AromaticContact CE2-CD2 3.42Å; F107-Y111 HydrophobicContact CE2-CD2 3.42Å; F107-Y111 VanDerWaalsContact CE2-CD2 3.42Å; F107-Y111 AromaticContact CE2-CE2 3.27Å; F107-Y111 HydrophobicContact CE2-CE2 3.27Å; F107-Y111 HydrophobicContact CE2-CG 4.37Å; F107-Y111 AromaticContact CG-CD2 3.85Å; F107-Y111 HydrophobicContact CG-CD2 3.85Å; F107-Y111 HydrophobicContact CG-CE2 4.26Å; F107-Y111 AromaticContact CZ-CD2 3.5Å; F107-Y111 HydrophobicContact CZ-CD2 3.5Å; F107-Y111 VanDerWaalsContact CZ-CD2 3.5Å; F107-Y111 AromaticContact CZ-CE2 3.77Å; F107-Y111 HydrophobicContact CZ-CE2 3.77Å; F107-Y111 HydrophobicContact CZ-CG 4.05Å; F107-Y111 WeakPolarHBondContact O-CD2 3.46Å; F107-Y111 PolarHBondContact O-N 3.06Å; A108-Y111 PolarHBondContact O-N 3.04Å; A108-Y111 VanDerWaalsContact O-N 3.15Å
112T69.4Low87.4Confident97 Ų97120.2 Ų120.260%0.59561%0.61SS**  trans-88.7125.1165.752.70000109.9A108A108-T112 PolarHBondContact O-N 3.38Å; A108-T112 PolarHBondContact O-OG1 3.36Å
113P58.2Low86.7Confident202 Ų202120.4 Ų120.4100%1.31262%0.618SS**  trans-650-173.127.2-35.4000114.4

Retrieved 113 of 113 residues in 151.9 ms (Link to these results)