A0A087Y4H4_POEFO Loading...

Protein LYRIC

AlphaFold DB , UniProt , Accession A0A087Y4H4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 537 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
1M61Low86.4Confident201 Ų201122.7 Ų122.799%0.9961%0.607SS**  0-17.30-76.6177.8173.600112.6Q3 W4M1-Q3 PolarHBondContact O-N 2.64Å; M1-W4 PolarHBondContact O-N 3.06Å
2E78.5Confident86.9Confident129 Ų129121.7 Ų121.760%0.60361%0.605SS**Hα-helixtrans-59.4-37.1-169-61.291.7135.200114W4 Q5 D6E2-W4 PolarHBondContact O-N 3.23Å; E2-Q5 CarbonylContact O-C 3.55Å; E2-Q5 WeakPolarHBondContact O-CA 3.4Å; E2-Q5 WeakPolarHBondContact O-CB 3.4Å; E2-Q5 PolarHBondContact O-N 3.11Å; E2-D6 PolarHBondContact O-N 2.82Å
3Q85.2Confident87.4Confident170 Ų170125 Ų12579%0.79461%0.606SS**Hα-helixtrans-53.3-34.5-179.5-70.9179.9-18.100114.2M1 A7M1-Q3 PolarHBondContact O-N 2.64Å; Q3-A7 WeakPolarHBondContact O-CB 3.05Å; Q3-A7 PolarHBondContact O-N 2.87Å
4W92Very high87.8Confident223 Ų223123.2 Ų123.285%0.84560%0.6SS**Hα-helixtrans-74.9-29.3175.8-112.579000112.6M1 E2 A8M1-W4 PolarHBondContact O-N 3.06Å; E2-W4 PolarHBondContact O-N 3.23Å; W4-A8 VanDerWaalsContact O-CB 3.24Å; W4-A8 WeakPolarHBondContact O-CB 3.45Å; W4-A8 PolarHBondContact O-N 2.85Å
5Q88.9Confident88.2Confident139 Ų139122.6 Ų122.665%0.6560%0.6SS**Hα-helixtrans-74.7-40.2173.3-63.2-177.7-22.400111.1E2 A8 S9E2-Q5 CarbonylContact O-C 3.55Å; E2-Q5 WeakPolarHBondContact O-CA 3.4Å; E2-Q5 WeakPolarHBondContact O-CB 3.4Å; E2-Q5 PolarHBondContact O-N 3.11Å; Q5-A8 PolarHBondContact O-N 2.9Å; Q5-S9 WeakPolarHBondContact O-CB 3.48Å; Q5-S9 PolarHBondContact O-N 3.42Å
6D92.8Very high88.3Confident95 Ų95118.7 Ų118.751%0.50859%0.586SS.*Hα-helixtrans-61.1-50.2174.1-76.5-42.7000111.1E2 A8 S9 Q10E2-D6 PolarHBondContact O-N 2.82Å; D6-A8 PolarHBondContact O-N 2.78Å; D6-S9 WeakPolarHBondContact O-CB 3.29Å; D6-S9 PolarHBondContact O-N 3.2Å; D6-S9 VanDerWaalsContact O-N 3.08Å; D6-S9 PolarHBondContact O-OG 3.07Å; D6-Q10 WeakPolarHBondContact O-CG 3.34Å; D6-Q10 PolarHBondContact O-N 2.86Å
7A88.4Confident88.6Confident50 Ų50115.5 Ų115.541%0.41358%0.578SS.*Hα-helixtrans-58.5-45.7176.100000112.1Q3 S9 Q10 Q11Q3-A7 WeakPolarHBondContact O-CB 3.05Å; Q3-A7 PolarHBondContact O-N 2.87Å; A7-S9 VanDerWaalsContact C-N 3.3Å; A7-S9 PolarHBondContact O-N 2.86Å; A7-Q10 PolarHBondContact O-N 2.82Å; A7-Q11 WeakPolarHBondContact O-CG 3.43Å; A7-Q11 PolarHBondContact O-N 3.05Å
8A89.9Confident88.8Confident55 Ų55118.9 Ų118.946%0.45558%0.583SS.*Hα-helixtrans-61.8-36.6174.200000112.4W4 Q5 D6 Q11 L12W4-A8 VanDerWaalsContact O-CB 3.24Å; W4-A8 WeakPolarHBondContact O-CB 3.45Å; W4-A8 PolarHBondContact O-N 2.85Å; Q5-A8 PolarHBondContact O-N 2.9Å; D6-A8 PolarHBondContact O-N 2.78Å; A8-Q11 PolarHBondContact O-N 2.71Å; A8-L12 VanDerWaalsContact O-CB 3.29Å; A8-L12 WeakPolarHBondContact O-CB 3.47Å; A8-L12 PolarHBondContact O-N 3.1Å
9S91.7Very high89Confident34 Ų34117.4 Ų117.424%0.23858%0.577CS.*Hα-helixtrans-70.7-30177.1870000113Q5 D6 A7 R13Q5-S9 WeakPolarHBondContact O-CB 3.48Å; Q5-S9 PolarHBondContact O-N 3.42Å; D6-S9 WeakPolarHBondContact O-CB 3.29Å; D6-S9 PolarHBondContact O-N 3.2Å; D6-S9 VanDerWaalsContact O-N 3.08Å; D6-S9 PolarHBondContact O-OG 3.07Å; A7-S9 VanDerWaalsContact C-N 3.3Å; A7-S9 PolarHBondContact O-N 2.86Å; S9-R13 VanDerWaalsContact O-CG 3.31Å; S9-R13 WeakPolarHBondContact O-CG 3.2Å; S9-R13 PolarHBondContact O-N 2.91Å; S9-R13 VanDerWaalsContact O-N 3.08Å; S9-R13 PolarHBondContact O-NH1 2.9Å; S9-R13 VanDerWaalsContact O-NH1 3.13Å; S9-R13 PolarHBondContact OG-NH1 3.18Å
10Q91.9Very high89Confident125 Ų125114.6 Ų114.658%0.58456%0.564SS**Hα-helixtrans-72.9-46173.4-71179.20.800110.6D6 A7 L12 R13 L14D6-Q10 WeakPolarHBondContact O-CG 3.34Å; D6-Q10 PolarHBondContact O-N 2.86Å; A7-Q10 PolarHBondContact O-N 2.82Å; Q10-L12 VanDerWaalsContact C-N 3.33Å; Q10-L12 PolarHBondContact O-N 3.15Å; Q10-R13 PolarHBondContact O-N 2.99Å; Q10-L14 WeakPolarHBondContact O-CG 3.48Å; Q10-L14 PolarHBondContact O-N 3.47Å
11Q90.3Very high89.2Confident129 Ų129114.2 Ų114.260%0.60356%0.561SS**Hα-helixtrans-58.7-43.8173.2-70.2-61.5-49.900111.7A7 A8 L14 L15A7-Q11 WeakPolarHBondContact O-CG 3.43Å; A7-Q11 PolarHBondContact O-N 3.05Å; A8-Q11 PolarHBondContact O-N 2.71Å; Q11-L14 PolarHBondContact O-N 3.43Å; Q11-L15 VanDerWaalsContact O-CB 3.29Å; Q11-L15 WeakPolarHBondContact O-CB 3.34Å; Q11-L15 PolarHBondContact O-N 3.45Å
12L92.6Very high90.7Very high110 Ų110110.4 Ų110.458%0.57654%0.544SS*.Hα-helixtrans-61.4-45.4176.2-176.461.3000111.8A8 Q10 L14 L15 T16A8-L12 VanDerWaalsContact O-CB 3.29Å; A8-L12 WeakPolarHBondContact O-CB 3.47Å; A8-L12 PolarHBondContact O-N 3.1Å; Q10-L12 VanDerWaalsContact C-N 3.33Å; Q10-L12 PolarHBondContact O-N 3.15Å; L12-L14 PolarHBondContact O-N 3.01Å; L12-L15 PolarHBondContact O-N 2.87Å; L12-T16 WeakPolarHBondContact O-CB 3.32Å; L12-T16 PolarHBondContact O-N 2.91Å; L12-T16 PolarHBondContact O-OG1 2.99Å; L12-T16 VanDerWaalsContact O-OG1 3.05Å
13R93Very high91Very high165 Ų165107.6 Ų107.662%0.62353%0.533SS*.Hα-helixtrans-60.9-43176.2-76.1-179.8-17194.3-10112.6S9 Q10 L15 S17S9-R13 VanDerWaalsContact O-CG 3.31Å; S9-R13 WeakPolarHBondContact O-CG 3.2Å; S9-R13 PolarHBondContact O-N 2.91Å; S9-R13 VanDerWaalsContact O-N 3.08Å; S9-R13 PolarHBondContact O-NH1 2.9Å; S9-R13 VanDerWaalsContact O-NH1 3.13Å; S9-R13 PolarHBondContact OG-NH1 3.18Å; Q10-R13 PolarHBondContact O-N 2.99Å; R13-L15 VanDerWaalsContact C-N 3.35Å; R13-S17 PolarHBondContact O-N 3.02Å; R13-S17 PolarHBondContact O-OG 3.09Å
14L93.2Very high91.1Very high100 Ų100102.1 Ų102.152%0.52451%0.511SS..Hα-helixtrans-67.5-33.9177.7-70.2170.7000112.8Q10 Q11 L12 S17 R18Q10-L14 WeakPolarHBondContact O-CG 3.48Å; Q10-L14 PolarHBondContact O-N 3.47Å; Q11-L14 PolarHBondContact O-N 3.43Å; L12-L14 PolarHBondContact O-N 3.01Å; L14-S17 PolarHBondContact O-OG 3.05Å; L14-S17 VanDerWaalsContact O-OG 3.11Å; L14-R18 WeakPolarHBondContact O-CG 3.43Å; L14-R18 PolarHBondContact O-N 3.36Å
15L93.3Very high91Very high114 Ų11496.8 Ų96.860%0.59749%0.494SS*.Hα-helixtrans-77.1-38.9177.4-164.8144.6000111Q11 L12 R13 L19Q11-L15 VanDerWaalsContact O-CB 3.29Å; Q11-L15 WeakPolarHBondContact O-CB 3.34Å; Q11-L15 PolarHBondContact O-N 3.45Å; L12-L15 PolarHBondContact O-N 2.87Å; R13-L15 VanDerWaalsContact C-N 3.35Å; L15-L19 VanDerWaalsContact O-CB 3.24Å; L15-L19 WeakPolarHBondContact O-CB 3.23Å; L15-L19 PolarHBondContact O-N 2.92Å
16T90.1Very high91Very high60 Ų6091.8 Ų91.837%0.36848%0.48SS..Hα-helixtrans-64.7-41.5172.6-64.60000112.3L12 L19 N20L12-T16 WeakPolarHBondContact O-CB 3.32Å; L12-T16 PolarHBondContact O-N 2.91Å; L12-T16 PolarHBondContact O-OG1 2.99Å; L12-T16 VanDerWaalsContact O-OG1 3.05Å; T16-L19 PolarHBondContact O-N 2.77Å; T16-N20 WeakPolarHBondContact O-CB 3.4Å; T16-N20 PolarHBondContact O-N 3.38Å
17S93.2Very high90.4Very high65 Ų6589.6 Ų89.646%0.45547%0.468SS..Hα-helixtrans-65.1-44.3177.662.90000111.8R13 L14 N20 E21R13-S17 PolarHBondContact O-N 3.02Å; R13-S17 PolarHBondContact O-OG 3.09Å; L14-S17 PolarHBondContact O-OG 3.05Å; L14-S17 VanDerWaalsContact O-OG 3.11Å; S17-N20 PolarHBondContact O-N 2.96Å; S17-E21 WeakPolarHBondContact O-CB 3.44Å; S17-E21 PolarHBondContact O-N 2.85Å
18R92.6Very high90.2Very high176 Ų17692.8 Ų92.866%0.66447%0.474SS*.Hα-helixtrans-62.8-39.5172.7-74.9-177.5173.3-160.2-1.4112.9L14 E21 L22L14-R18 WeakPolarHBondContact O-CG 3.43Å; L14-R18 PolarHBondContact O-N 3.36Å; R18-E21 PolarHBondContact O-N 2.83Å; R18-L22 WeakPolarHBondContact O-CB 3.3Å; R18-L22 WeakPolarHBondContact O-CG 3.43Å; R18-L22 PolarHBondContact O-N 3.17Å
19L92.3Very high89.9Confident90 Ų9097 Ų9747%0.47148%0.478SS..Hα-helixtrans-64-45.2176.8-169.477.5000110.8L15 T16 L22 L23L15-L19 VanDerWaalsContact O-CB 3.24Å; L15-L19 WeakPolarHBondContact O-CB 3.23Å; L15-L19 PolarHBondContact O-N 2.92Å; T16-L19 PolarHBondContact O-N 2.77Å; L19-L22 PolarHBondContact O-N 3.38Å; L19-L23 HydrophobicContact CD2-CD1 4.26Å; L19-L23 HydrophobicContact CG-CD1 3.94Å; L19-L23 HydrophobicContact CG-CG 4.43Å; L19-L23 WeakPolarHBondContact O-CB 3.35Å; L19-L23 VanDerWaalsContact O-CG 3.23Å; L19-L23 WeakPolarHBondContact O-CG 3.31Å; L19-L23 PolarHBondContact O-N 3.1Å
20N88.8Confident89.4Confident61 Ų6198.5 Ų98.533%0.32648%0.484SS..Hα-helixtrans-64.4-40.4176.2-76.13.5000111.7T16 S17 L22 L23 T24T16-N20 WeakPolarHBondContact O-CB 3.4Å; T16-N20 PolarHBondContact O-N 3.38Å; S17-N20 PolarHBondContact O-N 2.96Å; N20-L22 PolarHBondContact O-N 2.92Å; N20-L23 PolarHBondContact O-N 3.39Å; N20-T24 WeakPolarHBondContact O-CB 3.44Å; N20-T24 PolarHBondContact O-N 3.48Å; N20-T24 PolarHBondContact O-OG1 2.81Å
21E93.3Very high88.8Confident107 Ų10799.7 Ų99.750%0.548%0.483SS..Hα-helixtrans-61.5-43.2175-170-171.9161.800112S17 R18 K25S17-E21 WeakPolarHBondContact O-CB 3.44Å; S17-E21 PolarHBondContact O-N 2.85Å; R18-E21 PolarHBondContact O-N 2.83Å; E21-K25 HydrophobicContact CG-CD 4.47Å; E21-K25 WeakPolarHBondContact O-CG 3.46Å; E21-K25 PolarHBondContact O-N 2.89Å; E21-K25 VanDerWaalsContact O-N 3.1Å; E21-K25 WeakPolarHBondContact OE1-CE 3.32Å; E21-K25 IonicContact OE1-NZ 2.78Å; E21-K25 PolarHBondContact OE1-NZ 2.88Å
22L92.5Very high88.3Confident122 Ų12298.1 Ų98.164%0.63949%0.486SS*.Hα-helixtrans-68-39.3175.5-76163.8000112.5R18 L19 N20 G26R18-L22 WeakPolarHBondContact O-CB 3.3Å; R18-L22 WeakPolarHBondContact O-CG 3.43Å; R18-L22 PolarHBondContact O-N 3.17Å; L19-L22 PolarHBondContact O-N 3.38Å; N20-L22 PolarHBondContact O-N 2.92Å; L22-G26 PolarHBondContact O-N 3.25Å
23L86.2Confident87.6Confident69 Ų6998.7 Ų98.736%0.36149%0.486SS..Hα-helixtrans-67.1-42.6176.6-76.2168.9000111.7L19 N20 G26 L27L19-L23 HydrophobicContact CD2-CD1 4.26Å; L19-L23 HydrophobicContact CG-CD1 3.94Å; L19-L23 HydrophobicContact CG-CG 4.43Å; L19-L23 WeakPolarHBondContact O-CB 3.35Å; L19-L23 VanDerWaalsContact O-CG 3.23Å; L19-L23 WeakPolarHBondContact O-CG 3.31Å; L19-L23 PolarHBondContact O-N 3.1Å; N20-L23 PolarHBondContact O-N 3.39Å; L23-G26 PolarHBondContact O-N 2.9Å; L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 PolarHBondContact O-N 3.3Å
24T87.1Confident86.4Confident55 Ų5597.6 Ų97.634%0.33749%0.486SS..Hα-helixtrans-62.1-50175.7-61.60000110.7N20 G26 L27 E28N20-T24 WeakPolarHBondContact O-CB 3.44Å; N20-T24 PolarHBondContact O-N 3.48Å; N20-T24 PolarHBondContact O-OG1 2.81Å; T24-G26 VanDerWaalsContact C-N 3.33Å; T24-G26 PolarHBondContact O-N 3.42Å; T24-L27 PolarHBondContact O-N 3.46Å; T24-E28 HydrophobicContact CG2-CG 4.4Å; T24-E28 WeakPolarHBondContact O-CB 3.44Å; T24-E28 VanDerWaalsContact O-CG 3.32Å; T24-E28 WeakPolarHBondContact O-CG 3.34Å; T24-E28 PolarHBondContact O-N 3.45Å
25K89.1Confident84.8Confident112 Ų11295.7 Ų95.749%0.48749%0.49SS..Hα-helixtrans-62.5-38.6177.2-69.4174.1-171175.10112.7E21 W29E21-K25 HydrophobicContact CG-CD 4.47Å; E21-K25 WeakPolarHBondContact O-CG 3.46Å; E21-K25 PolarHBondContact O-N 2.89Å; E21-K25 VanDerWaalsContact O-N 3.1Å; E21-K25 WeakPolarHBondContact OE1-CE 3.32Å; E21-K25 IonicContact OE1-NZ 2.78Å; E21-K25 PolarHBondContact OE1-NZ 2.88Å; K25-W29 VanDerWaalsContact O-CB 3.3Å; K25-W29 WeakPolarHBondContact O-CB 3.23Å; K25-W29 PolarHBondContact O-N 2.81Å
26G87.9Confident83.4Confident34 Ų3494 Ų9435%0.35149%0.485SS..Hα-helixtrans-66.9-35.3175.400000113.2L22 L23 T24 L30L22-G26 PolarHBondContact O-N 3.25Å; L23-G26 PolarHBondContact O-N 2.9Å; T24-G26 VanDerWaalsContact C-N 3.33Å; T24-G26 PolarHBondContact O-N 3.42Å; G26-L30 WeakPolarHBondContact O-CB 3.35Å; G26-L30 PolarHBondContact O-N 2.97Å
27L80.8Confident81.9Confident49 Ų4995.2 Ų95.226%0.25749%0.489SS..Hα-helixtrans-74-40.7176-177.662.5000111.8L23 T24 W29 L30 R31 V38L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 PolarHBondContact O-N 3.3Å; T24-L27 PolarHBondContact O-N 3.46Å; L27-W29 VanDerWaalsContact C-N 3.34Å; L27-L30 PolarHBondContact O-N 3.41Å; L27-R31 VanDerWaalsContact O-CB 3.29Å; L27-R31 WeakPolarHBondContact O-CB 3.41Å; L27-R31 PolarHBondContact O-N 2.86Å; L27-V38 HydrophobicContact CD1-CB 3.87Å; L27-V38 HydrophobicContact CD1-CG2 3.47Å; L27-V38 VanDerWaalsContact CD1-CG2 3.47Å
28E83.8Confident80.4Confident117 Ų11795 Ų9555%0.54748%0.484SS..Hα-helixtrans-60.6-42.8171.2-73.5170163.400111.2T24 R31 S32T24-E28 HydrophobicContact CG2-CG 4.4Å; T24-E28 WeakPolarHBondContact O-CB 3.44Å; T24-E28 VanDerWaalsContact O-CG 3.32Å; T24-E28 WeakPolarHBondContact O-CG 3.34Å; T24-E28 PolarHBondContact O-N 3.45Å; E28-R31 PolarHBondContact O-N 3.34Å; E28-S32 WeakPolarHBondContact O-CB 3.45Å; E28-S32 PolarHBondContact O-N 3.49Å
29W84.9Confident78.6Confident142 Ų14289.3 Ų89.354%0.53848%0.481SS..Hα-helixtrans-65.3-44.2174.8-174.773.4000112.4K25 L27 R31 S32 E33 F34K25-W29 VanDerWaalsContact O-CB 3.3Å; K25-W29 WeakPolarHBondContact O-CB 3.23Å; K25-W29 PolarHBondContact O-N 2.81Å; L27-W29 VanDerWaalsContact C-N 3.34Å; W29-R31 VanDerWaalsContact C-N 3.3Å; W29-R31 PolarHBondContact O-N 2.82Å; W29-S32 PolarHBondContact O-N 3.38Å; W29-E33 HydrophobicContact CD2-CG 4.11Å; W29-E33 HydrophobicContact CG-CG 4.29Å; W29-E33 HydrophobicContact CZ2-CG 3.88Å; W29-E33 VanDerWaalsContact NE1-CG 3.3Å; W29-E33 PolarHBondContact O-N 2.87Å; W29-F34 HydrophobicContact CH2-CE2 4.12Å; W29-F34 HydrophobicContact CZ3-CE2 4.21Å
30L80.8Confident76.8Confident67 Ų6788.9 Ų88.935%0.35148%0.479SS..Hα-helixtrans-57.8-42.5173-118.269.2000112.2G26 L27 S32 F34 V38G26-L30 WeakPolarHBondContact O-CB 3.35Å; G26-L30 PolarHBondContact O-N 2.97Å; L27-L30 PolarHBondContact O-N 3.41Å; L30-S32 VanDerWaalsContact C-N 3.34Å; L30-F34 WeakPolarHBondContact O-CB 3.48Å; L30-F34 PolarHBondContact O-N 3.35Å; L30-V38 HydrophobicContact CD2-CG2 4.29Å
31R79Confident75.3Confident149 Ų14993.3 Ų93.356%0.56250%0.495SS*.Hα-helixtrans-67-35.3178.1-168.9-179.3-164.8-123.71.1112L27 E28 W29 G35 D37L27-R31 VanDerWaalsContact O-CB 3.29Å; L27-R31 WeakPolarHBondContact O-CB 3.41Å; L27-R31 PolarHBondContact O-N 2.86Å; E28-R31 PolarHBondContact O-N 3.34Å; W29-R31 VanDerWaalsContact C-N 3.3Å; W29-R31 PolarHBondContact O-N 2.82Å; R31-G35 WeakPolarHBondContact O-CA 3.35Å; R31-D37 HydrophobicContact CG-CB 4.15Å; R31-D37 IonicContact CZ-OD2 2.71Å; R31-D37 IonicContact NE-OD1 2.61Å; R31-D37 IonicContact NE-OD2 3.18Å; R31-D37 PolarHBondContact NE-OD2 3.33Å; R31-D37 IonicContact NH2-OD2 3.62Å; R31-D37 PolarHBondContact NH2-OD2 3.31Å
32S79.9Confident73.7Confident96 Ų9690.3 Ų90.367%0.67149%0.485SS*.Hα-helixtrans-78.1-44.2-179.4-167.50000113.3E28 W29 L30E28-S32 WeakPolarHBondContact O-CB 3.45Å; E28-S32 PolarHBondContact O-N 3.49Å; W29-S32 PolarHBondContact O-N 3.38Å; L30-S32 VanDerWaalsContact C-N 3.34Å
33E78.8Confident72.2Confident123 Ų12392.8 Ų92.858%0.57549%0.493SS*.Hα-helixtrans-88.4-43.7-174.5-64.4-63.1154.400113.1W29W29-E33 HydrophobicContact CD2-CG 4.11Å; W29-E33 HydrophobicContact CG-CG 4.29Å; W29-E33 HydrophobicContact CZ2-CG 3.88Å; W29-E33 VanDerWaalsContact NE1-CG 3.3Å; W29-E33 PolarHBondContact O-N 2.87Å
34F67.1Low71Confident141 Ų14196.4 Ų96.462%0.61851%0.512SS*.SBendtrans-97.5-7.7-174.2-72-90.1000113.2W29 L30 V36W29-F34 HydrophobicContact CH2-CE2 4.12Å; W29-F34 HydrophobicContact CZ3-CE2 4.21Å; L30-F34 WeakPolarHBondContact O-CB 3.48Å; L30-F34 PolarHBondContact O-N 3.35Å; F34-V36 HydrophobicContact CB-CB 4.41Å; F34-V36 HydrophobicContact CB-CG2 4Å; F34-V36 PolarHBondContact O-N 3.29Å
35G60.2Low69.9Low60 Ų6095.3 Ų95.362%0.61950%0.504SS*.  trans63.71.4-171.800000114.2R31 D37R31-G35 WeakPolarHBondContact O-CA 3.35Å; G35-D37 VanDerWaalsContact C-N 3.28Å; G35-D37 PolarHBondContact O-N 2.93Å
36V64.2Low69.4Low80 Ų8093.3 Ų93.349%0.48550%0.502SS..  trans-78.682179.2-175.50000108.1F34 V38F34-V36 HydrophobicContact CB-CB 4.41Å; F34-V36 HydrophobicContact CB-CG2 4Å; F34-V36 PolarHBondContact O-N 3.29Å; V36-V38 VanDerWaalsContact C-N 3.27Å; V36-V38 HydrophobicContact CG1-CG2 4.18Å; V36-V38 WeakPolarHBondContact O-CG2 3.28Å; V36-V38 PolarHBondContact O-N 2.92Å
37D57.8Low68.9Low85 Ų8596.4 Ų96.446%0.45552%0.516SS..  trans-65.893.1162.7-166.6-14.7000108.6R31 G35 G39R31-D37 HydrophobicContact CG-CB 4.15Å; R31-D37 IonicContact CZ-OD2 2.71Å; R31-D37 IonicContact NE-OD1 2.61Å; R31-D37 IonicContact NE-OD2 3.18Å; R31-D37 PolarHBondContact NE-OD2 3.33Å; R31-D37 IonicContact NH2-OD2 3.62Å; R31-D37 PolarHBondContact NH2-OD2 3.31Å; G35-D37 VanDerWaalsContact C-N 3.28Å; G35-D37 PolarHBondContact O-N 2.93Å; D37-G39 PolarHBondContact O-N 3.11Å; D37-G39 VanDerWaalsContact O-N 3.1Å; D37-G39 PolarHBondContact OD1-N 2.85Å
38V62.1Low68.9Low59 Ų59104 Ų10436%0.35854%0.542SS..  trans-63.5-16.2-179.2-153.70000110.8L27 L30 V36 L40L27-V38 HydrophobicContact CD1-CB 3.87Å; L27-V38 HydrophobicContact CD1-CG2 3.47Å; L27-V38 VanDerWaalsContact CD1-CG2 3.47Å; L30-V38 HydrophobicContact CD2-CG2 4.29Å; V36-V38 VanDerWaalsContact C-N 3.27Å; V36-V38 HydrophobicContact CG1-CG2 4.18Å; V36-V38 WeakPolarHBondContact O-CG2 3.28Å; V36-V38 PolarHBondContact O-N 2.92Å; V38-L40 HydrophobicContact CG1-CB 4.38Å; V38-L40 HydrophobicContact CG1-CD1 3.77Å; V38-L40 HydrophobicContact CG1-CG 3.97Å; V38-L40 PolarHBondContact O-N 2.88Å
39G53.4Low68.9Low58 Ų58102.8 Ų102.860%0.59854%0.538SS*.  trans64.6-9.9179.600000115.5D37 K41D37-G39 PolarHBondContact O-N 3.11Å; D37-G39 VanDerWaalsContact O-N 3.1Å; D37-G39 PolarHBondContact OD1-N 2.85Å; G39-K41 PolarHBondContact O-N 2.96Å
40L56Low68.6Low80 Ų8099.6 Ų99.642%0.41953%0.531SS..  trans-73.990.1-176.6-72.1-177.8000111.1V38 P42 I45V38-L40 HydrophobicContact CG1-CB 4.38Å; V38-L40 HydrophobicContact CG1-CD1 3.77Å; V38-L40 HydrophobicContact CG1-CG 3.97Å; V38-L40 PolarHBondContact O-N 2.88Å; L40-P42 WeakPolarHBondContact O-CD 3.44Å; L40-I45 HydrophobicContact CB-CD1 3.76Å; L40-I45 HydrophobicContact CB-CG1 3.89Å; L40-I45 HydrophobicContact CD1-CD1 4.19Å; L40-I45 HydrophobicContact CD1-CG1 4.41Å; L40-I45 HydrophobicContact CD2-CG1 4.42Å; L40-I45 HydrophobicContact CG-CG1 4.47Å
41K57.1Low68.8Low155 Ų155101.3 Ų101.367%0.67454%0.54SS*.  trans-51.3119.6164-65.3178.5-179.6177.90108.6G39 E43 L44 I45G39-K41 PolarHBondContact O-N 2.96Å; K41-E43 PolarHBondContact O-N 3.42Å; K41-E43 VanDerWaalsContact O-N 3.15Å; K41-L44 HydrophobicContact CB-CB 4.34Å; K41-L44 PolarHBondContact O-N 2.85Å; K41-I45 PolarHBondContact O-N 3.32Å
42P59.8Low69.1Low44 Ų44100 Ų10029%0.28654%0.543SS..G310 helixtrans-60.5-30.3-173.621.1-32.1000113L40 L44 I45L40-P42 WeakPolarHBondContact O-CD 3.44Å; P42-L44 PolarHBondContact O-N 2.61Å; P42-I45 PolarHBondContact O-N 3.02Å
43E61.2Low69.4Low174 Ų17498.2 Ų98.281%0.81353%0.534SS*.G310 helixtrans-54.5-27170.2-66.4-87.8106.700114.4K41K41-E43 PolarHBondContact O-N 3.42Å; K41-E43 VanDerWaalsContact O-N 3.15Å
44L61.1Low69.9Low145 Ų14595.3 Ų95.376%0.75953%0.531SS*.G310 helixtrans-113-1.6-171-144.575.6000113.5K41 P42 P46K41-L44 HydrophobicContact CB-CB 4.34Å; K41-L44 PolarHBondContact O-N 2.85Å; P42-L44 PolarHBondContact O-N 2.61Å; L44-P46 WeakPolarHBondContact O-CD 3.28Å
45I64.1Low70.7Confident32 Ų3291.4 Ų91.416%0.16452%0.521CS..SBendtrans-79118.6174.6-47.5175.4000108.2L40 K41 P42 I49 I50L40-I45 HydrophobicContact CB-CD1 3.76Å; L40-I45 HydrophobicContact CB-CG1 3.89Å; L40-I45 HydrophobicContact CD1-CD1 4.19Å; L40-I45 HydrophobicContact CD1-CG1 4.41Å; L40-I45 HydrophobicContact CD2-CG1 4.42Å; L40-I45 HydrophobicContact CG-CG1 4.47Å; K41-I45 PolarHBondContact O-N 3.32Å; P42-I45 PolarHBondContact O-N 3.02Å; I45-I49 HydrophobicContact CG2-CB 3.95Å; I45-I49 HydrophobicContact CG2-CG2 4.25Å; I45-I50 HydrophobicContact CB-CD1 4.33Å; I45-I50 HydrophobicContact CB-CG1 4.31Å; I45-I50 HydrophobicContact CG2-CD1 4.2Å; I45-I50 HydrophobicContact CG2-CG1 3.64Å
46P77.8Confident72Confident69 Ų6991.4 Ų91.445%0.44851%0.511SS..  trans-58.3131.1170.5-20.632.7000109L44 W48 I49L44-P46 WeakPolarHBondContact O-CD 3.28Å; P46-W48 PolarHBondContact O-N 3.42Å; P46-I49 HydrophobicContact CB-CG1 4.35Å; P46-I49 HydrophobicContact CG-CD1 4.14Å; P46-I49 HydrophobicContact CG-CG1 4.33Å; P46-I49 PolarHBondContact O-N 3.29Å
47P77.6Confident73.4Confident100 Ų10089.3 Ų89.365%0.64951%0.506SS*.Hα-helixtrans-55.2-22-177.3-29.936000114.3I50 L51P47-I50 PolarHBondContact O-N 3.4Å; P47-L51 WeakPolarHBondContact O-CB 3.38Å; P47-L51 PolarHBondContact O-N 3.15Å
48W79.7Confident75.1Confident209 Ų20990.8 Ų90.879%0.79251%0.513SS*.Hα-helixtrans-68.9-30.7174.6-65.214.8000113.1P46 L51 L52P46-W48 PolarHBondContact O-N 3.42Å; W48-L51 PolarHBondContact O-N 2.93Å; W48-L52 WeakPolarHBondContact O-CB 3.34Å; W48-L52 VanDerWaalsContact O-CD1 3.23Å; W48-L52 WeakPolarHBondContact O-CD1 3.5Å; W48-L52 PolarHBondContact O-N 3.02Å
49I84.6Confident76.6Confident91 Ų9193.8 Ų93.847%0.46753%0.526SS..Hα-helixtrans-70.2-41.2174.2-59.7-169.7000110I45 P46 L51 L52 A53I45-I49 HydrophobicContact CG2-CB 3.95Å; I45-I49 HydrophobicContact CG2-CG2 4.25Å; P46-I49 HydrophobicContact CB-CG1 4.35Å; P46-I49 HydrophobicContact CG-CD1 4.14Å; P46-I49 HydrophobicContact CG-CG1 4.33Å; P46-I49 PolarHBondContact O-N 3.29Å; I49-L51 VanDerWaalsContact C-N 3.31Å; I49-L51 PolarHBondContact O-N 3.45Å; I49-L52 PolarHBondContact O-N 2.82Å; I49-A53 WeakPolarHBondContact O-CB 3.29Å; I49-A53 PolarHBondContact O-N 3.38Å
50I79.5Confident78.5Confident74 Ų7496.9 Ų96.938%0.37953%0.528SS..Hα-helixtrans-60.5-43.6173-52.8178.9000110I45 P47 A53 A54I45-I50 HydrophobicContact CB-CD1 4.33Å; I45-I50 HydrophobicContact CB-CG1 4.31Å; I45-I50 HydrophobicContact CG2-CD1 4.2Å; I45-I50 HydrophobicContact CG2-CG1 3.64Å; P47-I50 PolarHBondContact O-N 3.4Å; I50-A53 PolarHBondContact O-N 3.05Å; I50-A54 WeakPolarHBondContact O-CB 3.49Å; I50-A54 PolarHBondContact O-N 3.31Å
51L83.1Confident80.4Confident104 Ų10498.4 Ų98.455%0.54554%0.535SS..Hα-helixtrans-65.1-40.1175.9-173.761.6000112.5P47 W48 I49 A54 C55P47-L51 WeakPolarHBondContact O-CB 3.38Å; P47-L51 PolarHBondContact O-N 3.15Å; W48-L51 PolarHBondContact O-N 2.93Å; I49-L51 VanDerWaalsContact C-N 3.31Å; I49-L51 PolarHBondContact O-N 3.45Å; L51-A54 PolarHBondContact O-N 2.84Å; L51-C55 VanDerWaalsContact O-CB 3.28Å; L51-C55 WeakPolarHBondContact O-CB 3.24Å; L51-C55 PolarHBondContact O-N 3.43Å; L51-C55 PolarHBondContact O-SG 2.89Å
52L86.1Confident82.1Confident122 Ų12295.1 Ų95.164%0.63953%0.528SS*.Hα-helixtrans-63.8-42.1174.8-10268.5000111.7W48 I49 C55 S56W48-L52 WeakPolarHBondContact O-CB 3.34Å; W48-L52 VanDerWaalsContact O-CD1 3.23Å; W48-L52 WeakPolarHBondContact O-CD1 3.5Å; W48-L52 PolarHBondContact O-N 3.02Å; I49-L52 PolarHBondContact O-N 2.82Å; L52-C55 PolarHBondContact O-N 2.92Å; L52-S56 WeakPolarHBondContact O-CB 3.29Å; L52-S56 PolarHBondContact O-N 3.08Å; L52-S56 PolarHBondContact O-OG 2.86Å
53A86.5Confident83.6Confident58 Ų5895.9 Ų95.948%0.47954%0.537SS..Hα-helixtrans-66.3-41.217600000112.2I49 I50 S56 G57I49-A53 WeakPolarHBondContact O-CB 3.29Å; I49-A53 PolarHBondContact O-N 3.38Å; I50-A53 PolarHBondContact O-N 3.05Å; A53-S56 PolarHBondContact O-N 3.29Å; A53-S56 PolarHBondContact O-OG 3.44Å; A53-G57 PolarHBondContact O-N 2.88Å
54A88.1Confident85.2Confident61 Ų6193 Ų9350%0.50453%0.527SS..Hα-helixtrans-64.8-41.5173.500000111.8I50 L51 L58I50-A54 WeakPolarHBondContact O-CB 3.49Å; I50-A54 PolarHBondContact O-N 3.31Å; L51-A54 PolarHBondContact O-N 2.84Å; A54-L58 WeakPolarHBondContact O-CB 3.28Å; A54-L58 PolarHBondContact O-N 3.13Å
55C84.5Confident86.8Confident60 Ų6094.7 Ų94.741%0.40552%0.523SS..Hα-helixtrans-67.4-39.1175.4-76.10000112.7L51 L52 L58 L59L51-C55 VanDerWaalsContact O-CB 3.28Å; L51-C55 WeakPolarHBondContact O-CB 3.24Å; L51-C55 PolarHBondContact O-N 3.43Å; L51-C55 PolarHBondContact O-SG 2.89Å; L52-C55 PolarHBondContact O-N 2.92Å; C55-L58 PolarHBondContact O-N 3.26Å; C55-L59 WeakPolarHBondContact O-CB 3.5Å; C55-L59 VanDerWaalsContact O-CG 3.23Å; C55-L59 WeakPolarHBondContact O-CG 3.25Å; C55-L59 PolarHBondContact O-N 3.24Å
56S87.3Confident88.1Confident59 Ų5994.9 Ų94.941%0.41353%0.53SS..Hα-helixtrans-68.7-41.4175.866.70000111.3L52 A53 L58 L59 L60L52-S56 WeakPolarHBondContact O-CB 3.29Å; L52-S56 PolarHBondContact O-N 3.08Å; L52-S56 PolarHBondContact O-OG 2.86Å; A53-S56 PolarHBondContact O-N 3.29Å; A53-S56 PolarHBondContact O-OG 3.44Å; S56-L58 PolarHBondContact O-N 3.46Å; S56-L59 PolarHBondContact O-N 2.93Å; S56-L60 WeakPolarHBondContact O-CB 3.37Å; S56-L60 VanDerWaalsContact O-CG 3.26Å; S56-L60 WeakPolarHBondContact O-CG 3.42Å; S56-L60 PolarHBondContact O-N 2.81Å
57G93.4Very high88.6Confident36 Ų3694.8 Ų94.837%0.37153%0.531SS..Hα-helixtrans-57.6-46.2171.300000112.6A53 L60 M61A53-G57 PolarHBondContact O-N 2.88Å; G57-L60 PolarHBondContact O-N 2.88Å; G57-M61 PolarHBondContact O-N 3.31Å
58L94.4Very high89.1Confident116 Ų11693.9 Ų93.961%0.60752%0.523SS*.Hα-helixtrans-64.5-42.5176.3-174.965.3000112.3A54 C55 S56 M61 V62A54-L58 WeakPolarHBondContact O-CB 3.28Å; A54-L58 PolarHBondContact O-N 3.13Å; C55-L58 PolarHBondContact O-N 3.26Å; S56-L58 PolarHBondContact O-N 3.46Å; L58-M61 PolarHBondContact O-N 2.58Å; L58-V62 WeakPolarHBondContact O-CG2 3.39Å; L58-V62 PolarHBondContact O-N 3.33Å
59L93.4Very high89.2Confident123 Ų12385.7 Ų85.764%0.64450%0.497SS*.Hα-helixtrans-64.1-39.9176.2-76.8168000112C55 S56 V62 A63C55-L59 WeakPolarHBondContact O-CB 3.5Å; C55-L59 VanDerWaalsContact O-CG 3.23Å; C55-L59 WeakPolarHBondContact O-CG 3.25Å; C55-L59 PolarHBondContact O-N 3.24Å; S56-L59 PolarHBondContact O-N 2.93Å; L59-V62 PolarHBondContact O-N 2.78Å; L59-A63 VanDerWaalsContact O-CB 3.25Å; L59-A63 WeakPolarHBondContact O-CB 3.44Å; L59-A63 PolarHBondContact O-N 2.86Å
60L93.2Very high88.8Confident122 Ų12290.2 Ų90.264%0.63951%0.509SS*.Hα-helixtrans-64.8-43.2173.8-73169.1000111.2S56 G57 A63 L64S56-L60 WeakPolarHBondContact O-CB 3.37Å; S56-L60 VanDerWaalsContact O-CG 3.26Å; S56-L60 WeakPolarHBondContact O-CG 3.42Å; S56-L60 PolarHBondContact O-N 2.81Å; G57-L60 PolarHBondContact O-N 2.88Å; L60-A63 PolarHBondContact O-N 3.33Å; L60-L64 VanDerWaalsContact O-CB 3.31Å; L60-L64 WeakPolarHBondContact O-CB 3.23Å; L60-L64 PolarHBondContact O-N 2.99Å
61M95.3Very high88.2Confident113 Ų11390.6 Ų90.656%0.55752%0.515SS*.Hα-helixtrans-60.8-46.3174.7-120.5-63.6172.400111.8G57 L58 A63 L64 W65G57-M61 PolarHBondContact O-N 3.31Å; L58-M61 PolarHBondContact O-N 2.58Å; M61-A63 PolarHBondContact O-N 2.86Å; M61-L64 PolarHBondContact O-N 3.05Å; M61-W65 VanDerWaalsContact O-CB 3.27Å; M61-W65 WeakPolarHBondContact O-CB 3.34Å; M61-W65 PolarHBondContact O-N 3.46Å
62V93.4Very high87.5Confident86 Ų8690.6 Ų90.652%0.52151%0.514SS..Hα-helixtrans-64.8-37.8176.51710000111.6L58 L59 A66L58-V62 WeakPolarHBondContact O-CG2 3.39Å; L58-V62 PolarHBondContact O-N 3.33Å; L59-V62 PolarHBondContact O-N 2.78Å; V62-A66 WeakPolarHBondContact O-CB 3.26Å; V62-A66 PolarHBondContact O-N 2.68Å
63A91.9Very high86.2Confident59 Ų5992.3 Ų92.349%0.48852%0.517SS..Hα-helixtrans-67.7-41.3175.700000112.2L59 L60 M61 A66 S67L59-A63 VanDerWaalsContact O-CB 3.25Å; L59-A63 WeakPolarHBondContact O-CB 3.44Å; L59-A63 PolarHBondContact O-N 2.86Å; L60-A63 PolarHBondContact O-N 3.33Å; M61-A63 PolarHBondContact O-N 2.86Å; A63-A66 PolarHBondContact O-N 3.3Å; A63-S67 WeakPolarHBondContact O-CB 3.35Å; A63-S67 PolarHBondContact O-N 2.89Å
64L94.7Very high84.9Confident115 Ų115100.3 Ų100.360%0.60253%0.534SS*.Hα-helixtrans-66.4-46176.6-161.172.6000110.7L60 M61 A66 S67 V68L60-L64 VanDerWaalsContact O-CB 3.31Å; L60-L64 WeakPolarHBondContact O-CB 3.23Å; L60-L64 PolarHBondContact O-N 2.99Å; M61-L64 PolarHBondContact O-N 3.05Å; L64-A66 PolarHBondContact O-N 2.92Å; L64-S67 WeakPolarHBondContact O-CB 3.31Å; L64-S67 PolarHBondContact O-N 3.13Å; L64-S67 VanDerWaalsContact O-N 3.11Å; L64-V68 WeakPolarHBondContact O-CG2 3.24Å; L64-V68 PolarHBondContact O-N 2.84Å
65W93.9Very high83.1Confident179 Ų179105.9 Ų105.968%0.67855%0.547SS*.Hα-helixtrans-59.3-44.4173.2-166-70.6000111.6M61 S67 V68 C69M61-W65 VanDerWaalsContact O-CB 3.27Å; M61-W65 WeakPolarHBondContact O-CB 3.34Å; M61-W65 PolarHBondContact O-N 3.46Å; W65-S67 VanDerWaalsContact C-N 3.3Å; W65-S67 PolarHBondContact O-N 2.85Å; W65-V68 PolarHBondContact O-N 3.3Å; W65-C69 VanDerWaalsContact CD1-SG 3.52Å; W65-C69 WeakPolarHBondContact O-CB 3.35Å; W65-C69 PolarHBondContact O-N 2.88Å; W65-C69 PolarHBondContact O-SG 3.48Å; W65-C69 VanDerWaalsContact O-SG 3.38Å
66A91.4Very high81.3Confident36 Ų36113.1 Ų113.130%0.29857%0.566SS.*Hα-helixtrans-65.1-32.4175.200000112.6V62 A63 L64 R70V62-A66 WeakPolarHBondContact O-CB 3.26Å; V62-A66 PolarHBondContact O-N 2.68Å; A63-A66 PolarHBondContact O-N 3.3Å; L64-A66 PolarHBondContact O-N 2.92Å; A66-R70 VanDerWaalsContact O-CB 3.31Å; A66-R70 WeakPolarHBondContact O-CB 3.37Å; A66-R70 WeakPolarHBondContact O-CD 3.44Å; A66-R70 WeakPolarHBondContact O-CG 3.42Å; A66-R70 PolarHBondContact O-N 2.8Å
67S88.4Confident79.1Confident67 Ų67115.9 Ų115.947%0.46958%0.582SS.*Hα-helixtrans-68.2-49.2173.5-166.10000111.2A63 L64 W65 C69 R70 T71A63-S67 WeakPolarHBondContact O-CB 3.35Å; A63-S67 PolarHBondContact O-N 2.89Å; L64-S67 WeakPolarHBondContact O-CB 3.31Å; L64-S67 PolarHBondContact O-N 3.13Å; L64-S67 VanDerWaalsContact O-N 3.11Å; W65-S67 VanDerWaalsContact C-N 3.3Å; W65-S67 PolarHBondContact O-N 2.85Å; S67-C69 PolarHBondContact O-N 3.45Å; S67-R70 WeakPolarHBondContact O-CB 3.36Å; S67-R70 PolarHBondContact O-N 3.32Å; S67-R70 VanDerWaalsContact O-N 3.14Å; S67-T71 PolarHBondContact O-N 3.32Å
68V88.9Confident76.5Confident82 Ų82118.6 Ų118.650%0.49760%0.602SS.*Hα-helixtrans-55.7-54.4173.5172.70000109.9L64 W65 R70 T71 I72L64-V68 WeakPolarHBondContact O-CG2 3.24Å; L64-V68 PolarHBondContact O-N 2.84Å; W65-V68 PolarHBondContact O-N 3.3Å; V68-R70 VanDerWaalsContact C-N 3.32Å; V68-R70 PolarHBondContact O-N 3.06Å; V68-T71 PolarHBondContact O-N 2.91Å; V68-T71 PolarHBondContact O-OG1 3.29Å; V68-I72 WeakPolarHBondContact O-CG1 3.35Å; V68-I72 PolarHBondContact O-N 2.82Å
69C80.9Confident73.8Confident36 Ų36120 Ų12024%0.24361%0.614CS.*Hα-helixtrans-53.7-43.8175.1-74.80000112.7W65 S67 T71 I72 F73W65-C69 VanDerWaalsContact CD1-SG 3.52Å; W65-C69 WeakPolarHBondContact O-CB 3.35Å; W65-C69 PolarHBondContact O-N 2.88Å; W65-C69 PolarHBondContact O-SG 3.48Å; W65-C69 VanDerWaalsContact O-SG 3.38Å; S67-C69 PolarHBondContact O-N 3.45Å; C69-T71 VanDerWaalsContact C-N 3.32Å; C69-T71 PolarHBondContact O-N 2.83Å; C69-I72 WeakPolarHBondContact O-CG1 3.45Å; C69-I72 PolarHBondContact O-N 3.41Å; C69-F73 HydrophobicContact CB-CD2 4.24Å; C69-F73 WeakPolarHBondContact O-CB 3.17Å; C69-F73 VanDerWaalsContact O-CD2 3.26Å; C69-F73 WeakPolarHBondContact O-CD2 3.27Å; C69-F73 PolarHBondContact O-N 2.87Å
70R76.7Confident71Confident186 Ų186119 Ų11970%0.70262%0.618SS**Hα-helixtrans-61.2-38175.7-78.2166.5-178-174.52.1112.3A66 S67 V68 R74A66-R70 VanDerWaalsContact O-CB 3.31Å; A66-R70 WeakPolarHBondContact O-CB 3.37Å; A66-R70 WeakPolarHBondContact O-CD 3.44Å; A66-R70 WeakPolarHBondContact O-CG 3.42Å; A66-R70 PolarHBondContact O-N 2.8Å; S67-R70 WeakPolarHBondContact O-CB 3.36Å; S67-R70 PolarHBondContact O-N 3.32Å; S67-R70 VanDerWaalsContact O-N 3.14Å; V68-R70 VanDerWaalsContact C-N 3.32Å; V68-R70 PolarHBondContact O-N 3.06Å; R70-R74 VanDerWaalsContact O-CB 3.24Å; R70-R74 WeakPolarHBondContact O-CB 3.34Å; R70-R74 WeakPolarHBondContact O-CG 3.45Å; R70-R74 PolarHBondContact O-N 2.92Å
71T66.6Low68.3Low83 Ų83118.5 Ų118.551%0.50962%0.624SS.*Hα-helixtrans-73.1-36.5177.863.20000113.9S67 V68 C69 K75S67-T71 PolarHBondContact O-N 3.32Å; V68-T71 PolarHBondContact O-N 2.91Å; V68-T71 PolarHBondContact O-OG1 3.29Å; C69-T71 VanDerWaalsContact C-N 3.32Å; C69-T71 PolarHBondContact O-N 2.83Å; T71-K75 WeakPolarHBondContact O-CG 3.46Å
72I69.3Low65.5Low103 Ų103119.2 Ų119.253%0.52864%0.635SS.*Hα-helixtrans-75.2-40.6173.753.1173.1000112.6V68 C69 R74 K75V68-I72 WeakPolarHBondContact O-CG1 3.35Å; V68-I72 PolarHBondContact O-N 2.82Å; C69-I72 WeakPolarHBondContact O-CG1 3.45Å; C69-I72 PolarHBondContact O-N 3.41Å; I72-R74 PolarHBondContact O-N 3.49Å; I72-K75 PolarHBondContact O-N 3.41Å; I72-K75 VanDerWaalsContact O-N 3.17Å
73F57.9Low62.9Low158 Ų158123.2 Ų123.269%0.69365%0.654SS**Hα-helixtrans-73-25.6178.7-77.6-69.1000113.5C69 K75C69-F73 HydrophobicContact CB-CD2 4.24Å; C69-F73 WeakPolarHBondContact O-CB 3.17Å; C69-F73 VanDerWaalsContact O-CD2 3.26Å; C69-F73 WeakPolarHBondContact O-CD2 3.27Å; C69-F73 PolarHBondContact O-N 2.87Å; F73-K75 VanDerWaalsContact C-N 3.27Å; F73-K75 PolarHBondContact O-N 3.39Å
74R58.8Low60.1Low227 Ų227127.1 Ų127.186%0.85767%0.666SS**THydrogen-bonded Turntrans-76-6.3169.3-79.4-166.6149.5-150.6-9114.8R70 I72 R76R70-R74 VanDerWaalsContact O-CB 3.24Å; R70-R74 WeakPolarHBondContact O-CB 3.34Å; R70-R74 WeakPolarHBondContact O-CG 3.45Å; R70-R74 PolarHBondContact O-N 2.92Å; I72-R74 PolarHBondContact O-N 3.49Å; R74-R76 VanDerWaalsContact C-N 3.28Å; R74-R76 PolarHBondContact O-N 2.99Å
75K51.1Low57Low177 Ų177125 Ų12577%0.7767%0.673SS**THydrogen-bonded Turntrans-847.9173.5-78.5-179.7176.2-176.30114.4T71 I72 F73 P77T71-K75 WeakPolarHBondContact O-CG 3.46Å; I72-K75 PolarHBondContact O-N 3.41Å; I72-K75 VanDerWaalsContact O-N 3.17Å; F73-K75 VanDerWaalsContact C-N 3.27Å; F73-K75 PolarHBondContact O-N 3.39Å; K75-P77 WeakPolarHBondContact O-CD 3.48Å
76R45.6Very low54.3Low213 Ų213121.8 Ų121.880%0.80467%0.672SS**SBendtrans-87.9108.5155.2-74.4-170.4178.8-175.81.1108.7R74 A78R74-R76 VanDerWaalsContact C-N 3.28Å; R74-R76 PolarHBondContact O-N 2.99Å; R76-A78 PolarHBondContact O-N 3.08Å; R76-A78 VanDerWaalsContact O-N 3.12Å
77P42.1Very low51.5Low116 Ų116129.1 Ų129.175%0.75370%0.7SS**  trans-64.9115.6171.826.8-32.3000108.7K75 V79K75-P77 WeakPolarHBondContact O-CD 3.48Å; P77-V79 PolarHBondContact O-N 3.07Å
78A39.6Very low48.7Very low94 Ų94129.6 Ų129.678%0.77772%0.716SS**  trans-63.5124.6157.800000106.5R76 S80R76-A78 PolarHBondContact O-N 3.08Å; R76-A78 VanDerWaalsContact O-N 3.12Å; A78-S80 PolarHBondContact O-N 3.45Å
79V36.6Very low46.2Very low144 Ų144136.1 Ų136.187%0.87374%0.738SS**  trans-59.4107-178.5175.90000108.7P77 S81P77-V79 PolarHBondContact O-N 3.07Å; V79-S81 PolarHBondContact O-N 3.1Å
80S35.7Very low44Very low103 Ų103146.2 Ų146.272%0.7277%0.771SS**PPolyproline II helixtrans-63.4129.5166.9460000108.3A78 V82A78-S80 PolarHBondContact O-N 3.45Å; S80-V82 PolarHBondContact O-N 3.3Å
81S35.5Very low41.8Very low111 Ų111141 Ų14178%0.77678%0.775SS**PPolyproline II helixtrans-53.5137.5166.749.10000109.6V79 D83V79-S81 PolarHBondContact O-N 3.1Å; S81-D83 PolarHBondContact O-N 3.32Å
82V36Very low40.3Very low129 Ų129141.7 Ų141.778%0.78279%0.79SS**PPolyproline II helixtrans-56.3127.2-174.665.50000111.9S80 D84S80-V82 PolarHBondContact O-N 3.3Å; V82-D84 HydrophobicContact CG2-CB 3.83Å
83D38.4Very low38.6Very low170 Ų170141.8 Ų141.891%0.90980%0.799SS**  trans-133.788.9156.6-164.1-112.1000105S81S81-D83 PolarHBondContact O-N 3.32Å
84D35.1Very low37.4Very low140 Ų140143.5 Ų143.575%0.74981%0.806SS**  trans-131.5118.3-179.6-163.4-43.5000106.6V82V82-D84 HydrophobicContact CG2-CB 3.83Å
85G29.4Very low37Very low72 Ų72138.5 Ų138.574%0.74280%0.803SS**  trans-175.133.2-154.700000115.2
86V35.4Very low35.8Very low111 Ų111137 Ų13767%0.67381%0.808SS**  trans26.5114.4153.9159.70000118.8
87E34.2Very low35.1Very low189 Ų189135.8 Ų135.888%0.88381%0.809SS**  trans50111.2139.7-55.2175.9-160.900120.3
88G29Very low34.8Very low78 Ų78135.1 Ų135.180%0.80481%0.813SS**  trans-15473.5177.100000116R90G88-R90 PolarHBondContact O-N 3.4Å
89K36.2Very low34.2Very low218 Ų218139.4 Ų139.495%0.94882%0.817SS**  trans-75.379.8-177.1-173.3-170.4178.7175.70113.9
90R35.7Very low34.1Very low248 Ų248140.1 Ų140.194%0.93681%0.811SS**  trans-169.7141.4155.2-116175.1-164.1-161.85.8116.5G88G88-R90 PolarHBondContact O-N 3.4Å
91G29.1Very low34.4Very low77 Ų77139.1 Ų139.179%0.79480%0.802SS**  trans81.8109.7130.300000118.7
92A35.1Very low34.3Very low98 Ų98141.5 Ų141.581%0.8180%0.798SS**  trans-74.4145.8162.300000111.5
93S33.4Very low34.5Very low104 Ų104143.8 Ų143.873%0.72780%0.798SS**  163.8149104.259.20000115.4
94K34.2Very low34.6Very low195 Ų195144.4 Ų144.485%0.84879%0.792SS**  trans68.8135.9159.5-66.9171.3-178.3175.30119.9
95P49.3Very low34.9Very low121 Ų121147.2 Ų147.279%0.78680%0.798SS**  trans-94.9155.6161.437.6-32.3000112
96V26.8Very low35.4Very low145 Ų145152.2 Ų152.288%0.87980%0.799SS**  trans-163.5152.9146.5125.90000113
97K30.6Very low35.5Very low189 Ų189156.1 Ų156.182%0.82281%0.807SS**  trans-41.6136.8-171.2-60.2173.3176.3177.90120.4
98A34.5Very low35.7Very low101 Ų101151.5 Ų151.584%0.83580%0.801SS**  62.9131.4120.100000123.3
99E27.1Very low36.1Very low185 Ų185156.9 Ų156.986%0.86481%0.806SS**  -141.4141.8126.2-166.7168.1121.800110.1
100E34.7Very low36.1Very low158 Ų158156 Ų15674%0.73880%0.802SS**  trans-121.8140.8169.3-170.1-128.6119.500107.8K102E100-K102 PolarHBondContact OE1-N 3.07Å
101P42.2Very low36.4Very low82 Ų82154.2 Ų154.253%0.53280%0.801SS.*  -149.8136.912530.5-11.5000117.3
102K32.8Very low36.8Very low162 Ų162155.3 Ų155.370%0.70480%0.802SS**  trans63.9119.5131.2-61.4166.5-169155.40116.9E100E100-K102 PolarHBondContact OE1-N 3.07Å
103K41.2Very low37Very low176 Ų176159.6 Ų159.677%0.76581%0.805SS**  -167.4144.954.1-97.4118.6176.4-176.70113.1
104K40.6Very low37.3Very low184 Ų184159.7 Ų159.780%0.880%0.803SS**  trans56114.6143.5-61.2178.9179.8-176.60117.8
105K40.6Very low37.2Very low199 Ų199158.4 Ų158.487%0.86581%0.806SS**  61.3141.674.9-74.8-170.7176.7-179.40114.8
106K41.1Very low36.4Very low176 Ų176156.3 Ų156.377%0.76581%0.806SS**  cis-176.5146.1-22-165.3-177.7179.4171.80108.7
107K37.4Very low36.6Very low193 Ų193161.4 Ų161.484%0.83981%0.81SS**  trans73.7167.2152-116.2-168.5177.9-163.60119
108A37.8Very low36.5Very low93 Ų93156.3 Ų156.377%0.76980%0.803SS**  trans89.179.1157.100000119K110A108-K110 PolarHBondContact O-N 3.06Å
109E38Very low36.4Very low191 Ų191158.1 Ų158.189%0.89380%0.803SS**  trans-37.6118.8136.4174-153.7140.900112.8
110K36.9Very low36.7Very low199 Ų199153.3 Ų153.387%0.86580%0.796SS**  trans-163.2158.8136.3-131.1177.1-177.9178.80112.5A108A108-K110 PolarHBondContact O-N 3.06Å
111K41.4Very low36.4Very low211 Ų211155 Ų15592%0.91780%0.804SS**  trans-63136.8-176.3-53.5177.5-179.4-176.40113.3
112A38.1Very low35.9Very low99 Ų99154.7 Ų154.782%0.81881%0.808SS**  trans-150.8150.5151.200000108.6
113Q38Very low35.7Very low188 Ų188154.7 Ų154.788%0.87981%0.81SS**  trans-81151.3179.8-70.7174.7-88.300112.1
114P39.3Very low35.2Very low106 Ų106154.5 Ų154.569%0.68881%0.812SS**  trans-77.5144.7154.234.3-32.3000110.9
115N33Very low34.7Very low169 Ų169148.9 Ų148.990%0.90481%0.807SS**  trans152.4143.5145.6-79.6-14.1000110
116G33.1Very low34.1Very low77 Ų77143.3 Ų143.379%0.79480%0.797SS**  trans178.8-6179.600000122.9
117R29.8Very low33.5Very low251 Ų251142 Ų14295%0.94781%0.805SS**  trans177.1152.1161.2-108.6171.6173.9-165.1-4.6111.1
118A30Very low32.9Very low82 Ų82136.7 Ų136.768%0.67880%0.797SS**  cis-142.9-178.3-0.800000110.7
119V31.9Very low32.3Very low139 Ų139138 Ų13884%0.84280%0.798SS**  trans72.3101-168.4-173.70000110.1
120A33.8Very low31.9Very low85 Ų85137.6 Ų137.670%0.70280%0.797SS**  69.3132.550.200000112.4
121E27.9Very low31.4Very low194 Ų194136.9 Ų136.991%0.90780%0.796SS**  cis-136.2-171.311.3-155.6161.8110.600112.2
122A32Very low30.9Very low75 Ų75137.3 Ų137.362%0.6279%0.792SS**  trans-72.3175.6-171.300000114.4
123Q28.2Very low30.5Very low162 Ų162138.8 Ų138.876%0.75779%0.791SS**  cis-154.2171.81.9-135.1155.8-83.600106.9
124E30.1Very low30.9Very low171 Ų171134.6 Ų134.680%0.79978%0.78SS**  cis-146.3-70.44-173163.3121.100111.8
125G30Very low30.3Very low67 Ų67137.6 Ų137.669%0.69178%0.784SS**  trans173.1-167.4-17300000108.8
126A28.9Very low30.2Very low81 Ų81136.5 Ų136.567%0.66977%0.774SS**  cis-176.5157.9-20.900000106.3
127T27.5Very low29.8Very low150 Ų150142.5 Ų142.592%0.9278%0.781SS**  trans62.4175.2-179.777.90000113.9
128A25.4Very low29.9Very low81 Ų81134.3 Ų134.367%0.66977%0.767SS**  -169.4156.6-50.600000106.5
129C24.2Very low30.4Very low119 Ų119136.8 Ų136.880%0.80478%0.776SS**  trans65.6126.1-176.8-63.90000112.9
130E30.4Very low30.4Very low184 Ų184135.4 Ų135.486%0.8677%0.773SS**  109.4179.381.7-177.1164.1175.500109.4
131E27.5Very low31Very low184 Ų184137.3 Ų137.386%0.8678%0.778SS**  trans80.5165.7168.5-157.1147.3-151.200118.2
132R29.2Very low31Very low219 Ų219135 Ų13583%0.82677%0.767SS**  trans-112.9144.4-152.2-66.9165.7166.6146.8-7.2111.6
133V29.8Very low30.9Very low131 Ų131136.8 Ų136.879%0.79477%0.77SS**  21.6137.7118.5-170.10000117.1
134P47.9Very low31.1Very low100 Ų100136.6 Ų136.665%0.64977%0.767SS**  cis-139.2179.9-18.440.5-23.7000115.3
135H26.9Very low31.1Very low168 Ų168134.6 Ų134.678%0.77877%0.766SS**  trans-148.8110.1144.3-140.462.2000117.6
136H29.8Very low31Very low147 Ų147137.4 Ų137.468%0.68177%0.766SS**  trans34.7129.9136.9-68.3-133000122.7
137Q25.5Very low31.2Very low202 Ų202141.2 Ų141.294%0.94477%0.767SS**  -140.5151.9112.8-164166.587.700109.6
138A31Very low31.3Very low80 Ų80140.3 Ų140.366%0.66176%0.761SS**  trans-132.8168.7-17700000109.9
139P40.1Very low31.5Very low133 Ų133140.1 Ų140.186%0.86476%0.759SS**  -141.3177.170.734.8-15.3000115.7
140S32.6Very low31.9Very low111 Ų111142.6 Ų142.678%0.77676%0.759SS**  trans-116.6160.9177.760.10000112.9
141P45.7Very low32Very low125 Ų125138.8 Ų138.881%0.81275%0.749SS**  -140.9-178.7109.840.5-28.2000112.2
142Q28.6Very low32.4Very low144 Ų144138.1 Ų138.167%0.67374%0.743SS**  cis-126.9-124.1-3.8-159.7-163.8131.800111.5
143V30.8Very low32.8Very low113 Ų113136.8 Ų136.869%0.68574%0.743SS**  trans-163.4167.2-157.1-172.30000108.7
144K30.8Very low33.2Very low159 Ų159135.6 Ų135.669%0.69174%0.74SS**  trans96.1125.1164-57157.6-171.1154.40115.5
145T31.6Very low32.4Very low128 Ų128140.6 Ų140.679%0.78575%0.752SS**  cis93.3125.221.772.70000117.5
146D27.7Very low32.8Very low127 Ų127141.8 Ų141.868%0.67976%0.755SS**  trans115.8140.1141.5-152.6-146.3000120.3
147K31.4Very low33.1Very low160 Ų160144.2 Ų144.270%0.69676%0.764SS**  trans66134.7148.7-99.3-174-160.892.30125.9
148V30.1Very low33.4Very low131 Ų131138.9 Ų138.979%0.79475%0.754SS**  trans69.5146.1130.7155.20000119.8
149A31Very low33.6Very low77 Ų77144.6 Ų144.664%0.63676%0.764SS**  cis-167.6-171.4-27.800000109.8
150E32.4Very low33.4Very low172 Ų172144.2 Ų144.280%0.80476%0.762SS**  trans70.8116.3159.2-62-144.783.400121.5
151T31.7Very low33.6Very low103 Ų103144.5 Ų144.563%0.63276%0.764SS**  trans-4.3158.9135.578.70000119.4
152K35.4Very low32.9Very low170 Ų170144.2 Ų144.274%0.73976%0.759SS**  cis-175.3159.440.2-141.1157.4-165.5159.90110.7
153K38.4Very low33.2Very low192 Ų192146.1 Ų146.184%0.83577%0.765SS**  trans67.8152164.8-56.4169.9-175.8174.40115.8
154S37.3Very low33.4Very low105 Ų105149 Ų14973%0.73477%0.771SS**  cis-166.3138.6-22.151.10000113.1
155K32.4Very low33.4Very low206 Ų206145.8 Ų145.890%0.89677%0.765SS**  trans54.4120.1138.1-165.8170-176.1172.90120.3
156K33.8Very low33.4Very low193 Ų193149.2 Ų149.284%0.83977%0.769SS**  trans114.4124.5145.4-158.6176.2-177-175.80116.2
157K35.9Very low33.5Very low198 Ų198147.4 Ų147.486%0.86177%0.772SS**  trans9.4136.9161.4-53.7-174176.8-172.70117.8
158A32.3Very low33.4Very low90 Ų90144.7 Ų144.774%0.74478%0.779SS**  cis-168174.946.200000114.6
159K34.7Very low33.5Very low199 Ų199145.5 Ų145.587%0.86579%0.785SS**  trans49.5101.6162.2-65.8-175.8179.3-178.40118.6
160P36.7Very low33.5Very low126 Ų126145.4 Ų145.482%0.81879%0.791SS**  trans-84.5125.3155.632.7-29.2000111.3
161S36.6Very low33.5Very low117 Ų117145.3 Ų145.382%0.81880%0.796SS**  trans-117.595.9162.255.70000108.7
162V30.6Very low33.6Very low119 Ų119143.5 Ų143.572%0.72180%0.798SS**  trans-137101.5-173.4174.90000105.7
163K34.9Very low33.6Very low183 Ų183145.4 Ų145.480%0.79681%0.806SS**  65.2124.697-72.9-174.3174-177.20114.1
164E35.1Very low33.7Very low174 Ų174144.8 Ų144.881%0.81381%0.806SS**  trans-118.4-177.5130.2-105.8-64.718.700110.4
165T31.5Very low34.1Very low91 Ų91145.8 Ų145.856%0.55881%0.81SS**  trans-144.2136.7-140.3-43.80000112.9
166K32Very low34.1Very low200 Ų200144.7 Ų144.787%0.8781%0.808SS**  trans66.4164.3164.6-77.2173.6171.7-170.70117.9
167A29.2Very low34.9Very low89 Ų89145.3 Ų145.374%0.73681%0.814SS**  cis-176.2147.3-34.300000110.2
168A30.2Very low35.3Very low103 Ų103138.3 Ų138.385%0.85180%0.798SS**  trans175.8125.6134.500000109.4
169T31Very low36Very low149 Ų149139.3 Ų139.391%0.91480%0.795SS**  trans-99.7127.9165.6-58.50000108.2
170G31.7Very low36.2Very low75 Ų75142.2 Ų142.277%0.77380%0.8SS**  trans-124.5120.916500000108.4
171D31.3Very low36.7Very low170 Ų170142.5 Ų142.591%0.90979%0.791SS**  trans-79.6144.4173.1-173.2-95.4000109.9
172G33.9Very low37.6Very low64 Ų64142.9 Ų142.966%0.6679%0.789SS**  trans166.677.9179.900000118.3
173K36.8Very low38.8Very low210 Ų210146 Ų14691%0.91379%0.792SS**  trans65.3158.9154.8-96.2-176.1173.4-173.90120.2
174E39.2Very low39.5Very low180 Ų180141.7 Ų141.784%0.84178%0.781SS**PPolyproline II helixtrans-75.9154.5179.3-63.3168.3112.600112.4E176E174-E176 PolarHBondContact O-N 3.39Å
175P46.1Very low40.8Very low125 Ų125137 Ų13781%0.81277%0.768SS**PPolyproline II helixtrans-73.6118.4174.330.2-33.4000111.3
176E33.2Very low41.9Very low183 Ų183139.3 Ų139.386%0.85578%0.776SS**PPolyproline II helixtrans-67.7133.8167.9-173.9177.6160.700110.2E174 G178E174-E176 PolarHBondContact O-N 3.39Å; E176-G178 PolarHBondContact O-N 3.11Å
177E49.6Very low43.7Very low207 Ų207136.9 Ų136.997%0.96777%0.766SS**  trans-73.568.8-180-64.6-172.213000111.8
178G44.9Very low45.7Very low50 Ų50137.2 Ų137.252%0.51575%0.752SS.*  trans-110.2106.6-172.200000114.6E176E176-G178 PolarHBondContact O-N 3.11Å
179T45.9Very low47.5Very low111 Ų111138.4 Ų138.468%0.68174%0.738SS**  trans46.187.3144.4-47.30000117.6E181T179-E181 HydrophobicContact CG2-CB 3.8Å; T179-E181 HydrophobicContact CG2-CG 4.07Å; T179-E181 PolarHBondContact O-N 2.87Å
180W39.7Very low49.1Very low260 Ų260140.6 Ų140.699%0.98573%0.73SS**  trans-72.967.5159.7-71.299.4000111.2T182W180-T182 PolarHBondContact O-N 3.46Å
181E46.8Very low51Low132 Ų132142.5 Ų142.562%0.61772%0.719SS**  trans-64.6129.9-179.343.917574.700112.6T179 K183T179-E181 HydrophobicContact CG2-CB 3.8Å; T179-E181 HydrophobicContact CG2-CG 4.07Å; T179-E181 PolarHBondContact O-N 2.87Å; E181-K183 PolarHBondContact O-N 2.87Å
182T57Low52.6Low126 Ų126139.5 Ų139.577%0.77370%0.699SS**  trans-68.496.4-170.5-420000111.7W180 V184W180-T182 PolarHBondContact O-N 3.46Å; T182-V184 PolarHBondContact O-N 3.41Å
183K54.8Low53.9Low184 Ų184145.3 Ų145.380%0.870%0.701SS**  trans-74.268.6174.4-77.8175178.4161.20112.2E181 S185E181-K183 PolarHBondContact O-N 2.87Å; K183-S185 PolarHBondContact O-N 2.84Å
184V49.3Very low55.2Low92 Ų92142.9 Ų142.956%0.55869%0.691SS**  trans-50.8126.2162.9-88.10000109.6T182 E188T182-V184 PolarHBondContact O-N 3.41Å; V184-E188 WeakPolarHBondContact CG1-OE1 3.5Å
185S62.8Low56.5Low77 Ų77141.5 Ų141.554%0.53868%0.682SS.*  trans-67.6145.9-167.9-178.10000112K183 K187 E188 K189K183-S185 PolarHBondContact O-N 2.84Å; S185-K187 PolarHBondContact O-N 3.35Å; S185-E188 WeakPolarHBondContact O-CB 3.4Å; S185-E188 PolarHBondContact O-N 3.48Å; S185-K189 PolarHBondContact O-N 2.84Å
186N54.1Low56.8Low138 Ų138141 Ų14174%0.73867%0.673SS**THydrogen-bonded Turntrans-56.3-17.1176.5-164.12.8000113.1
187K70.3Confident57.8Low150 Ų150141 Ų14165%0.65267%0.67SS**THydrogen-bonded Turntrans-64-51.3170.1-168.9-177.5173.9-168.20112S185 K189 R190 E191S185-K187 PolarHBondContact O-N 3.35Å; K187-K189 PolarHBondContact O-N 2.89Å; K187-R190 WeakPolarHBondContact O-CB 3.31Å; K187-R190 PolarHBondContact O-N 2.78Å; K187-E191 PolarHBondContact O-N 3.32Å
188E71.1Confident57.8Low96 Ų96136.7 Ų136.745%0.44965%0.653SS.*Hα-helixtrans-63.7-43.3-176.6-169.5-177.1121.700111.8V184 S185 R190 E191 Q192V184-E188 WeakPolarHBondContact CG1-OE1 3.5Å; S185-E188 WeakPolarHBondContact O-CB 3.4Å; S185-E188 PolarHBondContact O-N 3.48Å; E188-R190 PolarHBondContact O-N 3.04Å; E188-E191 PolarHBondContact O-N 2.85Å; E188-Q192 PolarHBondContact O-N 3.21Å; E188-Q192 VanDerWaalsContact O-N 3.08Å
189K68.6Low58Low128 Ų128139.2 Ų139.256%0.55766%0.663SS**Hα-helixtrans-63-12.6175.2-161.2161.8-170.2162.60113.7S185 K187S185-K189 PolarHBondContact O-N 2.84Å; K187-K189 PolarHBondContact O-N 2.89Å
190R64.6Low57.8Low194 Ų194139.6 Ų139.673%0.73267%0.67SS**Hα-helixtrans-95.3-18.8171.6-158.3175.1-166.1-176.56.2113.2K187 E188K187-R190 WeakPolarHBondContact O-CB 3.31Å; K187-R190 PolarHBondContact O-N 2.78Å; E188-R190 PolarHBondContact O-N 3.04Å
191E70.9Confident57.6Low115 Ų115135.4 Ų135.454%0.53767%0.667SS.*Hα-helixtrans-90-36.9179.8-66-175.3103.100111.4K187 E188 R193 K194 K195K187-E191 PolarHBondContact O-N 3.32Å; E188-E191 PolarHBondContact O-N 2.85Å; E191-R193 PolarHBondContact O-N 3Å; E191-K194 WeakPolarHBondContact O-CB 3.14Å; E191-K194 PolarHBondContact O-N 2.95Å; E191-K195 PolarHBondContact O-N 3.04Å
192Q64.6Low57Low108 Ų108131.9 Ų131.951%0.50567%0.666SS.*Hα-helixtrans-51.6-54.9166.2-76.2179.6-29.300111.3E188 K194 K195 D196E188-Q192 PolarHBondContact O-N 3.21Å; E188-Q192 VanDerWaalsContact O-N 3.08Å; Q192-K194 PolarHBondContact O-N 2.8Å; Q192-K195 WeakPolarHBondContact O-CA 3.33Å; Q192-K195 WeakPolarHBondContact O-CB 3.47Å; Q192-K195 PolarHBondContact O-N 3.45Å; Q192-D196 PolarHBondContact O-N 3.4Å
193R62.8Low56.3Low185 Ų185132.3 Ų132.370%0.69867%0.674SS**Hα-helixtrans-58.8-8.1177.1-71.1178.6169.9176.5-5.1115.6E191E191-R193 PolarHBondContact O-N 3Å
194K63.6Low55.4Low159 Ų159127.9 Ų127.969%0.69167%0.672SS**Hα-helixtrans-98.9-25.2169.8-82.2-171.1167.1-166.40113.7E191 Q192 N198E191-K194 WeakPolarHBondContact O-CB 3.14Å; E191-K194 PolarHBondContact O-N 2.95Å; Q192-K194 PolarHBondContact O-N 2.8Å; K194-N198 PolarHBondContact O-ND2 3.14Å; K194-N198 PolarHBondContact O-OD1 2.9Å
195K65.4Low54.8Low152 Ų152128.7 Ų128.766%0.66168%0.682SS**Hα-helixtrans-79.6-43.9174.4-161.477.4173.6-175.30110.9E191 Q192 K197 N198E191-K195 PolarHBondContact O-N 3.04Å; Q192-K195 WeakPolarHBondContact O-CA 3.33Å; Q192-K195 WeakPolarHBondContact O-CB 3.47Å; Q192-K195 PolarHBondContact O-N 3.45Å; K195-K197 PolarHBondContact O-N 2.98Å; K195-N198 PolarHBondContact O-N 2.96Å; K195-N198 PolarHBondContact O-OD1 3.28Å; K195-N198 VanDerWaalsContact O-OD1 3.07Å
196D53Low54Low115 Ų115130.9 Ų130.962%0.61569%0.694SS**THydrogen-bonded Turntrans-68.4-5.8-176.9-49.8-34.4000113.7Q192Q192-D196 PolarHBondContact O-N 3.4Å
197K54.3Low53Low182 Ų182127.8 Ų127.879%0.79170%0.695SS**THydrogen-bonded Turntrans-104.97.8-176-156.957.7177166.90113.5K195K195-K197 PolarHBondContact O-N 2.98Å
198N48.8Very low50.9Low116 Ų116124.5 Ų124.562%0.6270%0.703SS**SBendtrans-108.6-9.6-180-23.6131.5000113.7K194 K195K194-N198 PolarHBondContact O-ND2 3.14Å; K194-N198 PolarHBondContact O-OD1 2.9Å; K195-N198 PolarHBondContact O-N 2.96Å; K195-N198 PolarHBondContact O-OD1 3.28Å; K195-N198 VanDerWaalsContact O-OD1 3.07Å
199S49.1Very low49.2Very low103 Ų103123 Ų12372%0.7271%0.713SS**SBendtrans-131.722.2-157.3-47.40000115
200S43.3Very low47.3Very low119 Ų119124.6 Ų124.683%0.83273%0.728SS**  trans-156.775.8176.7-164.10000112.8
201D33.8Very low46.1Very low173 Ų173121.9 Ų121.993%0.92573%0.734SS**  trans-170.2141.3150.9-149.717.5000105.8
202G35.1Very low44.5Very low58 Ų58121.6 Ų121.660%0.59874%0.741SS**  cis173127.7-3.500000107A204G202-A204 PolarHBondContact O-N 3.48Å
203S43Very low42.7Very low134 Ų134122.7 Ų122.794%0.93776%0.755SS**  trans-70.8121.2-174.2-1760000111.5
204A34.6Very low41.1Very low92 Ų92121 Ų12176%0.7676%0.76SS**  trans-134.8110.7169.800000109.5G202G202-A204 PolarHBondContact O-N 3.48Å
205S37Very low39.6Very low108 Ų108117 Ų11776%0.75576%0.757SS**  trans-80.5152172.4176.20000110.6
206P46Very low38.2Very low123 Ų123114.9 Ų114.980%0.79976%0.759SS**  -124.4157.3123.736.1-32.1000112.5
207G32.5Very low37.1Very low73 Ų73116.3 Ų116.375%0.75377%0.765SS**  trans-109.4-177165.400000111.7
208G27.9Very low35.9Very low81 Ų81116 Ų11684%0.83577%0.767SS**  trans102134-154.700000107.8
209G33.6Very low35Very low64 Ų64118.4 Ų118.466%0.6677%0.774SS**  cis100.712046.600000106.5
210D30.3Very low34.5Very low162 Ų162118.3 Ų118.387%0.86677%0.771SS**  cis-145.6161.715.1-54-59.3000111.4
211T39.7Very low33.9Very low138 Ų138123.9 Ų123.985%0.84777%0.774SS**  trans-94.7149.6162.246.50000110.5
212P37.2Very low33.7Very low108 Ų108120 Ų12070%0.70177%0.766SS**  trans-140.8138.3132.334-20.5000113.7
213V26.8Very low33.4Very low131 Ų131122.9 Ų122.979%0.79478%0.777SS**  trans60.9124.8142.2-1790000116.8
214N28.7Very low32.8Very low151 Ų151121 Ų12181%0.80777%0.77SS**  cis-14716435.8-1503.1000114.4
215A31.1Very low32.5Very low75 Ų75121 Ų12162%0.6277%0.769SS**  trans-115.3-156.3162.400000106.9
216P37.1Very low32.8Very low107 Ų107121.5 Ų121.570%0.69577%0.77SS**  cis-132.3-156.9-11.230.9-5.8000112.7
217L29.2Very low32.6Very low144 Ų144121.2 Ų121.275%0.75477%0.769SS**  trans78137.1-178.3-71.174.7000114.7
218E29Very low32.7Very low175 Ų175121.9 Ų121.982%0.81877%0.767SS**  cis-137.3152.5-2-135172140.800113.9
219Q31.1Very low33.2Very low167 Ų167123.8 Ų123.878%0.7877%0.765SS**  trans-102.1163168.3-116.9-171.840.300107
220P38.5Very low33.9Very low102 Ų102126.3 Ų126.366%0.66277%0.769SS**  -156177.658.641.2-19.4000117.9
221R29.2Very low33.8Very low235 Ų235122.7 Ų122.789%0.88776%0.762SS**  trans36138.5145.9-64.2169.7-171-169.73.5119.9
222A30.3Very low33.4Very low92 Ų92121.2 Ų121.276%0.7676%0.757SS**  cis-136.512718.100000109.9
223S29.6Very low33.3Very low119 Ų119125.1 Ų125.183%0.83277%0.766SS**  80.8114.783.9-166.40000112.5
224A29.5Very low33.6Very low95 Ų95128 Ų12879%0.78577%0.768SS**  cis-156.4166.6-0.400000112.9
225A27.5Very low33.8Very low90 Ų90129.7 Ų129.774%0.74477%0.768SS**  trans-121.3-171.4162.800000107.3
226P44.1Very low33.8Very low120 Ų120135.4 Ų135.478%0.77978%0.779SS**  cis-127.9-123.8-2261.3000112.9
227P41.6Very low33.4Very low117 Ų117140.3 Ų140.376%0.7679%0.789SS**  -119.8-178.9-99.138.1-22.9000116.3
228A34.5Very low33.3Very low87 Ų87136.3 Ų136.372%0.71978%0.782SS**  trans-61.7176.616900000113.3
229P39.5Very low33.3Very low121 Ų121136.8 Ų136.879%0.78679%0.785SS**  cis-130.1-114.615.726.12.1000117.3
230P47Very low33.5Very low116 Ų116134 Ų13475%0.75378%0.784SS**  -124.9179.2-112.240.4-24.7000117.1
231A27.7Very low33.2Very low87 Ų87134.2 Ų134.272%0.71979%0.794SS**  trans87.3123.4150.700000121.4
232S31.5Very low33.1Very low106 Ų106132.7 Ų132.774%0.74179%0.794SS**  trans73.3113140.272.90000121.6
233Q35.5Very low33.1Very low190 Ų190133.4 Ų133.489%0.88880%0.8SS**  trans-178.1140.6136.6-98.5153.593.900107.2
234K33Very low33.1Very low191 Ų191137.2 Ų137.283%0.8380%0.801SS**  cis70.18210.2-161.3-173.5179.9175.50117.2
235K32.6Very low33.1Very low187 Ų187137.2 Ų137.281%0.81380%0.801SS**  -175.8148.3124.1-104.7168.4-177.2173.90113.3
236K31.8Very low33Very low196 Ų196140 Ų14085%0.85280%0.799SS**  trans32.5140.5148.1-62.7-167.6168.9-161.30119.2
237K29.3Very low32.2Very low210 Ų210142.4 Ų142.491%0.91380%0.797SS**  178.8151.562179.4-174.3177.2-170.80107.4
238G27Very low31.5Very low59 Ų59140.8 Ų140.861%0.60879%0.794SS**  cis-127.6-171.7-900000110.1
239E28.7Very low31.1Very low186 Ų186145.5 Ų145.587%0.86980%0.801SS**  cis65.7118.644-157.4179.8143.900111.8
240S34.9Very low30.5Very low108 Ų108144.3 Ų144.376%0.75580%0.801SS**  cis-169.1152.7-6.554.90000111.9
241A31.4Very low29.4Very low107 Ų107142.8 Ų142.888%0.88480%0.799SS**  trans-157.8141.7149.600000111.1
242K29Very low29.5Very low203 Ų203145.5 Ų145.588%0.88381%0.806SS**  trans-141.6106.4177.7177.5-170.2178.1-173.60108.7
243A28.8Very low29.3Very low106 Ų106145.5 Ų145.588%0.87681%0.806SS**  trans-113.3120.9172.800000109.4
244K31.3Very low28.9Very low200 Ų200145.5 Ų145.587%0.8781%0.806SS**  trans-137.1105172.1-178.2-159174.9-170.80108
245A29.1Very low28.6Very low95 Ų95140.2 Ų140.279%0.78580%0.797SS**  trans-159.5153.1174.600000108.6
246E24.6Very low28.4Very low149 Ų149138.6 Ų138.670%0.69680%0.798SS**  cis-166.1133.2-21.7169.5163.1158.600107.3
247K27.9Very low28.2Very low169 Ų169133.5 Ų133.574%0.73579%0.787SS**  trans61.9122.3147.8-150.9167.9-171.2175.70117.1
248A27.3Very low28.1Very low84 Ų84129 Ų12969%0.69478%0.782SS**  57.2145.980.500000112.8
249E24.7Very low28.2Very low186 Ų186132.1 Ų132.187%0.86979%0.789SS**  cis-175.7163-1.6159.6-175.615900106.4
250A26.6Very low28.4Very low95 Ų95129.3 Ų129.379%0.78578%0.784SS**  trans108.9158.2171.100000116.5
251A25.6Very low28.6Very low85 Ų85129.4 Ų129.470%0.70278%0.782SS**  cis173.1143.6-44.100000109.2
252V29.1Very low28.3Very low143 Ų143132.4 Ų132.487%0.86778%0.778SS**  trans66.7143158.2170.60000115.2
253S27.4Very low28.3Very low106 Ų106128.2 Ų128.274%0.74177%0.769SS**  cis-120.4-171.56.1-38.70000110.3
254Q26.2Very low28.2Very low191 Ų191127.7 Ų127.789%0.89377%0.765SS**  cis-158.2155.538.6-174169.1-4200112.7
255A27.5Very low28Very low79 Ų79123.4 Ų123.465%0.65377%0.767SS**  trans-85.5-175.9-176.200000113
256N28.7Very low28Very low154 Ų154123.3 Ų123.382%0.82477%0.765SS**  cis-167179.78.4-131.7-4.4000108.3
257S27.7Very low28.2Very low88 Ų88123.1 Ų123.162%0.61578%0.775SS**  cis-170.1145-7.5370000110.6
258S27.1Very low28.3Very low117 Ų117119.2 Ų119.282%0.81877%0.774SS**  trans69.1154.5156.7-130.70000117.9
259V27.8Very low28.4Very low123 Ų123122 Ų12275%0.74578%0.777SS**  cis-143.9157.726.8174.10000112
260V33.9Very low28.9Very low127 Ų127121.6 Ų121.677%0.7778%0.778SS**  trans-139.6133.8171.8170.90000109
261P38.6Very low29Very low111 Ų111120.3 Ų120.372%0.72177%0.767SS**  -138.5165.599.921.41.2000113
262E26.4Very low29.2Very low170 Ų170122.8 Ų122.879%0.79477%0.773SS**  cis93.4144.327.2-145-160.112000115.9
263V29Very low29.3Very low115 Ų115124.9 Ų124.970%0.69777%0.771SS**  trans83.388.8165.8-165.80000120.1
264A26.1Very low29.4Very low95 Ų95125.9 Ų125.979%0.78577%0.772SS**  56.7174.8118.300000124.4
265A26.7Very low29.6Very low110 Ų110121.5 Ų121.591%0.90977%0.768SS**  trans85.9142.3169.600000118.8
266A29Very low30.1Very low92 Ų92123.2 Ų123.276%0.7677%0.773SS**  trans-105.1164.7-167.200000113.6
267T29.9Very low30.3Very low145 Ų145125.1 Ų125.189%0.8978%0.777SS**  trans-164.6144.9140.915.20000114.9
268A29.1Very low30.4Very low88 Ų88126.8 Ų126.873%0.72779%0.788SS**  trans65.2132.414500000123.8
269D29.3Very low30.5Very low141 Ų141125.5 Ų125.575%0.75479%0.785SS**  trans31.5120.1144.9-71.4-104.7000123.5
270M35.6Very low30.8Very low178 Ų178124.3 Ų124.388%0.87779%0.788SS**  -157.5115.784.4-68.9-144.38900108.9
271A28.5Very low31.1Very low69 Ų69123.8 Ų123.857%0.5779%0.787SS**  85104.176.700000115.8
272V30.8Very low31Very low137 Ų137127.7 Ų127.783%0.8379%0.793SS**  trans65.4120.7148.7-179.70000116.7
273K29.9Very low31.3Very low187 Ų187125.5 Ų125.581%0.81379%0.791SS**  cis-161.4115.345.9-160.7168.4-178.1176.80115.6
274V30.6Very low31.4Very low126 Ų126124.6 Ų124.676%0.76479%0.79SS**  trans15119.2141.1-174.50000119.8P276V274-P276 HydrophobicContact CG1-CG 4.47Å
275A30.4Very low31.6Very low99 Ų99125.4 Ų125.482%0.81879%0.79SS**  trans-151.296148.100000111
276P36.3Very low31.8Very low116 Ų116131.4 Ų131.475%0.75379%0.79SS**  trans-91.6159.6-178.236.4-34.1000112.7V274V274-P276 HydrophobicContact CG1-CG 4.47Å
277Q34.4Very low32Very low193 Ų193131.2 Ų131.290%0.90278%0.779SS**  trans-104.3173.3179.8-56.3175.55.500111.8
278S29.6Very low31.9Very low123 Ų123129.7 Ų129.786%0.8677%0.77SS**  trans106.4162148.7-154.30000119.6
279A29.8Very low31.9Very low91 Ų91133.4 Ų133.475%0.75277%0.772SS**  trans70.9107.5166.100000120
280A33.9Very low31.9Very low97 Ų97137 Ų13780%0.80278%0.775SS**  trans-89.3158.5148.700000110.1
281P39.2Very low31.7Very low116 Ų116136.4 Ų136.475%0.75377%0.77SS**  -146.2150.7112.736-20.9000116.8
282K36.1Very low31.8Very low193 Ų193139.5 Ų139.584%0.83978%0.782SS**  trans5.4137.4140.1-36.6171-173.8171.60116.3
283T32.8Very low31.8Very low124 Ų124137.6 Ų137.676%0.76178%0.78SS**  cis-165.5165.147.348.20000115.1
284S30.7Very low32.1Very low96 Ų96134.3 Ų134.367%0.67178%0.781SS**  trans59.290.5142.362.10000123.5
285S30.9Very low32.1Very low113 Ų113135.9 Ų135.979%0.7979%0.785SS**  43.7123.311962.90000124.2
286W30.6Very low32.4Very low236 Ų236143.4 Ų143.489%0.89479%0.792SS**  -158.8169.3118.1-170.3-114.5000111.8
287T33.3Very low32Very low87 Ų87149.2 Ų149.253%0.53480%0.799SS.*  trans-75.2168-163.565.60000115
288T28.4Very low32Very low114 Ų114145 Ų14570%0.69980%0.797SS**  -179.9159.970.2-103.10000113.8
289Q29.2Very low32Very low166 Ų166142.3 Ų142.378%0.77679%0.789SS**  trans81.3103.6167.6-132144.4-87.100116.4
290R28.9Very low32.2Very low216 Ų216143.9 Ų143.982%0.81579%0.794SS**  79.4128.760.1-164.2-135.5-81.4-98.9-1.9111.2
291Q31.1Very low32.1Very low166 Ų166146.2 Ų146.278%0.77679%0.793SS**  cis-122154.416-75.3176.8-123.100114.8
292T32.1Very low32.5Very low134 Ų134149.3 Ų149.382%0.82280%0.798SS**  trans-95153.7150.447.60000110.2
293A30Very low32.7Very low96 Ų96144.8 Ų144.879%0.79379%0.79SS**  trans-140.1113.5171.900000110.2
294S35.6Very low32.9Very low119 Ų119151.3 Ų151.383%0.83280%0.801SS**  trans-84.8130-179.6-48.60000111
295L30.5Very low33.1Very low159 Ų159150.4 Ų150.483%0.83280%0.799SS**  trans-157.659.8172.1-118.9170.9000113.9
296W36.6Very low33.4Very low257 Ų257150.8 Ų150.897%0.97380%0.797SS**  trans-135.680.9173.2-76.5109.2000113
297R29.5Very low34.2Very low237 Ų237145.4 Ų145.489%0.89479%0.792SS**  trans-160.8115.1152.5-174.8162.8-71.8-163.6-1.1113.2
298A32.9Very low34.6Very low104 Ų104147.1 Ų147.186%0.8680%0.802SS**  trans52.6133.3148.800000121.5
299G30.7Very low35.4Very low67 Ų67147.5 Ų147.569%0.69181%0.807SS**  trans147.1135.3160.400000112.5
300S32.5Very low35.5Very low125 Ų125144.9 Ų144.987%0.87481%0.807SS**  trans69.9137.4172.1-50.10000116.7
301D33.1Very low36.3Very low145 Ų145139.7 Ų139.778%0.77580%0.801SS**  cis-157.1161.6-18.5-162.4-152000110.7S303D301-S303 PolarHBondContact O-N 3.42Å
302E47.2Very low36.7Very low182 Ų182140.5 Ų140.585%0.8581%0.805SS**  trans-75.3104.1179.4-125.897.311200111.3
303S40.9Very low37.3Very low97 Ų97142 Ų14268%0.67881%0.807SS**  trans-147.169.6175.4-161.10000114.6D301 A305D301-S303 PolarHBondContact O-N 3.42Å; S303-A305 PolarHBondContact O-N 3.38Å
304W36.2Very low37.3Very low261 Ų261144.6 Ų144.699%0.98981%0.808SS**  trans-78.864.4161.6-7394000110.5
305A34.5Very low37.3Very low77 Ų77146.7 Ų146.764%0.63681%0.808SS**  trans-75.9131.5178.200000111.6S303S303-A305 PolarHBondContact O-N 3.38Å
306V38.6Very low37.5Very low121 Ų121144.7 Ų144.773%0.73380%0.803SS**  trans-70.3132.8178.71770000110.4V308V306-V308 PolarHBondContact O-N 2.82Å; V306-V308 VanDerWaalsContact O-N 3.1Å
307P46.9Very low37.3Very low124 Ų124138.7 Ų138.781%0.80580%0.8SS**  trans-67.2107.8170.3-17.631.3000110.8
308V42.2Very low37.5Very low123 Ų123134.5 Ų134.575%0.74579%0.794SS**  trans-90.2124.9168179.50000108.2V306 S310V306-V308 PolarHBondContact O-N 2.82Å; V306-V308 VanDerWaalsContact O-N 3.1Å; V308-S310 PolarHBondContact O-N 3.37Å
309P44.3Very low37.4Very low122 Ų122134.7 Ų134.779%0.79279%0.79SS**  trans-75.1116175.729.9-32.4000110
310S31.1Very low37.4Very low110 Ų110137.2 Ų137.277%0.76980%0.796SS**  trans-107.8127.8164.6-168.70000109.1V308V308-S310 PolarHBondContact O-N 3.37Å
311P46.9Very low37.5Very low108 Ų108139.5 Ų139.570%0.70180%0.798SS**  trans-75.5-174.3171.934.3-35.7000111.3
312E39.4Very low37.3Very low183 Ų183135.8 Ų135.886%0.85579%0.794SS**  trans7682.5174.1-55-171.4170.300117.4
313L43.4Very low36.9Very low165 Ų165134 Ų13486%0.86480%0.795SS**SBendtrans-141.6112.9131.8-81.5-171.3000111.2
314N31.2Very low36.7Very low151 Ų151134.7 Ų134.781%0.80780%0.797SS**  trans41.494.1162-79.4-93000119.4
315L33.9Very low36.9Very low162 Ų162131.3 Ų131.385%0.84879%0.793SS**  trans-66.4168.3134.6-92.6158.5000110.6
316V35.4Very low36.9Very low118 Ų118133.9 Ų133.972%0.71580%0.801SS**  trans84.890.1175.8-167.30000116.3
317S32.6Very low36.9Very low130 Ų130136.8 Ų136.891%0.90981%0.806SS**  -134.4118.5124.4-770000107.1
318L32.7Very low36.4Very low149 Ų149136.9 Ų136.978%0.7881%0.807SS**  trans-104.1157-168-145.578.2000111.2
319S31.9Very low36Very low109 Ų109137.3 Ų137.376%0.76281%0.809SS**  trans64.586.6157.1-57.20000118
320S31Very low35.9Very low119 Ų119136 Ų13683%0.83280%0.803SS**  trans-128.985.8151.1179.20000111.3
321L33.1Very low36.2Very low173 Ų173137.6 Ų137.691%0.90680%0.803SS**  trans59.7109.1150.5-158.970.2000120.1
322G29.3Very low36Very low67 Ų67141 Ų14169%0.69181%0.814SS**  trans87.995.4137.300000118.5P324G322-P324 WeakPolarHBondContact O-CD 3.48Å
323V38.9Very low36.5Very low146 Ų146137.5 Ų137.589%0.88581%0.805SS**  trans-91.2123.9153.6173.10000108.9
324P37.6Very low36.5Very low110 Ų110140.9 Ų140.971%0.71481%0.807SS**  trans-110.8134.714634-28.2000110.9G322 T326G322-P324 WeakPolarHBondContact O-CD 3.48Å; P324-T326 PolarHBondContact O-N 2.79Å
325Q39.8Very low37Very low191 Ų191142.2 Ų142.289%0.89381%0.813SS**  trans-71.4115.7175.3170.8-166.22.600111.4
326T34.6Very low37.4Very low131 Ų131141.5 Ų141.580%0.80481%0.81SS**  trans-143.1153.3160.144.30000110.7P324P324-T326 PolarHBondContact O-N 2.79Å
327Q38.1Very low37.5Very low181 Ų181144.5 Ų144.585%0.84682%0.816SS**PPolyproline II helixtrans-80.3142.7177.3-66.9-179.9-47.100111.2
328P36.4Very low37.7Very low127 Ų127142.8 Ų142.883%0.82580%0.804SS**PPolyproline II helixtrans-76.2124.6156.931.6-29.8000109.5
329V33.8Very low38.2Very low132 Ų132145.4 Ų145.480%0.880%0.804SS**PPolyproline II helixtrans-74.1161.1166.5176.90000109
330S42.6Very low38.7Very low93 Ų93145 Ų14565%0.6580%0.796SS**SBendtrans-54.3171.2172.8-53.30000114.2
331D38.5Very low39Very low144 Ų144144.1 Ų144.177%0.7778%0.783SS**  trans73.489.7158.8-50.2-39.7000117.5
332L42.8Very low39.7Very low179 Ų179142.2 Ų142.294%0.93777%0.773SS**  trans-140.686.3137.9-142.272.8000111.2
333T49Very low41Very low110 Ų110146.5 Ų146.568%0.67578%0.775SS**  trans-56.4160.2157.746.70000110.6
334W44.2Very low41.8Very low236 Ų236151.2 Ų151.289%0.89478%0.777SS**  trans127-13.3162.2-77.799000119
335L41.3Very low42.7Very low179 Ų179151.6 Ų151.694%0.93778%0.783SS**SBendtrans-109.617.2-172.4-133.678.2000117.7
336N42.4Very low42.8Very low148 Ų148146.2 Ų146.279%0.79178%0.778SS**  trans-149.678.6168.8-147.2-15.7000113.3
337Q36.4Very low42.8Very low180 Ų180148.3 Ų148.384%0.84178%0.784SS**  trans-137.585.3167.5-88.7-71.1-18.700107.4R339Q337-R339 PolarHBondContact O-N 3.01Å; Q337-R339 VanDerWaalsContact O-N 3.13Å
338S38.4Very low43.2Very low94 Ų94147.9 Ų147.966%0.65779%0.787SS**  trans-67.9104.6163.952.30000107.6V340S338-V340 PolarHBondContact O-N 3.25Å
339R41.6Very low43.7Very low204 Ų204145.4 Ų145.477%0.7779%0.785SS**  trans-55.9108174.6175.9-175.8-77.4-153.4-3.7108.8Q337 D341Q337-R339 PolarHBondContact O-N 3.01Å; Q337-R339 VanDerWaalsContact O-N 3.13Å; R339-D341 WeakPolarHBondContact CD-OD1 3.45Å; R339-D341 IonicContact NH1-OD1 3.96Å
340V43.1Very low44.6Very low100 Ų100143 Ų14361%0.60679%0.786SS**  trans-82.6124.1156.5-177.20000105.5S338 D342S338-V340 PolarHBondContact O-N 3.25Å; V340-D342 VanDerWaalsContact CG1-OD2 3.28Å; V340-D342 WeakPolarHBondContact CG1-OD2 3.24Å; V340-D342 PolarHBondContact O-N 2.86Å
341D37.7Very low44.9Very low102 Ų102144.4 Ų144.455%0.54580%0.797SS.*  trans-81.675.9172.9-79.7-67.1000109R339 E343R339-D341 WeakPolarHBondContact CD-OD1 3.45Å; R339-D341 IonicContact NH1-OD1 3.96Å; D341-E343 HydrophobicContact CB-CG 4.27Å; D341-E343 PolarHBondContact O-N 3.08Å
342D48.1Very low45.5Very low132 Ų132142.1 Ų142.171%0.70680%0.797SS**  trans-72.152.6169.5-78.9-61000111.2V340 W344V340-D342 VanDerWaalsContact CG1-OD2 3.28Å; V340-D342 WeakPolarHBondContact CG1-OD2 3.24Å; V340-D342 PolarHBondContact O-N 2.86Å; D342-W344 PolarHBondContact O-N 2.88Å
343E55.9Low45.8Very low157 Ų157137.4 Ų137.473%0.73477%0.773SS**THydrogen-bonded Turntrans-69.511-178.2-70.2-165.311100114.3D341D341-E343 HydrophobicContact CB-CG 4.27Å; D341-E343 PolarHBondContact O-N 3.08Å
344W56.2Low46.3Very low245 Ų245138.8 Ų138.893%0.92878%0.784SS**THydrogen-bonded Turntrans-126.532.7-174.6-74.688.4000114.3D342D342-W344 PolarHBondContact O-N 2.88Å
345S55.4Low46.9Very low119 Ų119131.8 Ų131.883%0.83277%0.771SS**SBendtrans-150.3114.6165.1-83.10000114.3
346G43.1Very low47.9Very low77 Ų77126.6 Ų126.679%0.79475%0.75SS**  trans114.165.2146.500000118.7
347L34.3Very low48.9Very low175 Ų175127.3 Ų127.392%0.91675%0.754SS**  trans-148.2102.2146.9-113.2155.2000111.2G349L347-G349 PolarHBondContact O-N 3.35Å
348N46.2Very low50.6Low172 Ų172129.9 Ų129.992%0.9276%0.756SS**  trans-62.7128.9170.4-84.2-27.6000109.7
349G46.9Very low51.7Low76 Ų76132.6 Ų132.678%0.78476%0.763SS**  trans-170.118.2-172.500000119L347 S351L347-G349 PolarHBondContact O-N 3.35Å; G349-S351 PolarHBondContact O-N 3.05Å
350G53Low52.8Low80 Ų80126.4 Ų126.483%0.82576%0.755SS**  trans47.764.1158.600000118.9A352G350-A352 PolarHBondContact O-N 3.05Å
351S48.2Very low53.2Low124 Ų124127.3 Ų127.387%0.86776%0.763SS**  trans-87.277.6158.462.70000110.3G349 D353G349-S351 PolarHBondContact O-N 3.05Å; S351-D353 PolarHBondContact O-N 3.48Å; S351-D353 VanDerWaalsContact O-N 3.15Å
352A51.3Low54.2Low95 Ų95128 Ų12879%0.78578%0.776SS**  trans-69.3106.3167.800000108.6G350 P354G350-A352 PolarHBondContact O-N 3.05Å; A352-P354 WeakPolarHBondContact O-CD 3.41Å
353D49.7Very low54.8Low81 Ų81128.2 Ų128.243%0.43377%0.773SS.*  trans-62.2116.9170.8165.320.7000109.1S351 S355 S356S351-D353 PolarHBondContact O-N 3.48Å; S351-D353 VanDerWaalsContact O-N 3.15Å; D353-S355 PolarHBondContact O-N 3.5Å; D353-S355 WeakPolarHBondContact OD1-CB 3.26Å; D353-S355 PolarHBondContact OD1-N 2.99Å; D353-S355 PolarHBondContact OD1-OG 3.02Å; D353-S355 PolarHBondContact OD2-OG 3.48Å; D353-S356 PolarHBondContact O-N 2.93Å; D353-S356 VanDerWaalsContact OD2-CB 3.28Å; D353-S356 WeakPolarHBondContact OD2-CB 3.35Å; D353-S356 PolarHBondContact OD2-N 2.86Å; D353-S356 PolarHBondContact OD2-OG 3.41Å
354P58.9Low55Low138 Ų138125.4 Ų125.490%0.89678%0.776SS**THydrogen-bonded Turntrans-71.45.3-178.232.2-36.8000113.7A352A352-P354 WeakPolarHBondContact O-CD 3.41Å
355S56.6Low55.1Low89 Ų89123.9 Ų123.962%0.62277%0.771SS**THydrogen-bonded Turntrans-120.92.3177.367.70000115.3D353 D357D353-S355 PolarHBondContact O-N 3.5Å; D353-S355 WeakPolarHBondContact OD1-CB 3.26Å; D353-S355 PolarHBondContact OD1-N 2.99Å; D353-S355 PolarHBondContact OD1-OG 3.02Å; D353-S355 PolarHBondContact OD2-OG 3.48Å; S355-D357 PolarHBondContact O-N 3.46Å
356S61.5Low54.9Low70 Ų70121.4 Ų121.449%0.4976%0.764SS.*  trans-88.394.1-179.4-88.80000112.9D353 W358D353-S356 PolarHBondContact O-N 2.93Å; D353-S356 VanDerWaalsContact OD2-CB 3.28Å; D353-S356 WeakPolarHBondContact OD2-CB 3.35Å; D353-S356 PolarHBondContact OD2-N 2.86Å; D353-S356 PolarHBondContact OD2-OG 3.41Å; S356-W358 PolarHBondContact O-N 3.17Å
357D63.9Low55Low164 Ų164124.7 Ų124.788%0.87776%0.764SS**  trans-66.722.8174-69.1-44.1000114.9S355 N359S355-D357 PolarHBondContact O-N 3.46Å; D357-N359 PolarHBondContact O-N 3.42Å
358W72.4Confident55.6Low233 Ų233127.6 Ų127.688%0.88376%0.764SS**  trans-77.867.9-178.4-86.199.6000112.7S356 A360S356-W358 PolarHBondContact O-N 3.17Å; W358-A360 PolarHBondContact O-N 3.14Å; W358-A360 VanDerWaalsContact O-N 3.09Å
359N62.2Low55.8Low152 Ų152127.7 Ų127.781%0.81376%0.759SS**  trans-7595.1173-155.6-9.6000109.5D357D357-N359 PolarHBondContact O-N 3.42Å
360A64Low55.7Low73 Ų73132.1 Ų132.160%0.60376%0.759SS**  trans-62.8128.2178.400000110.1W358 S362W358-A360 PolarHBondContact O-N 3.14Å; W358-A360 VanDerWaalsContact O-N 3.09Å; A360-S362 PolarHBondContact O-N 2.92Å
361P52.7Low55.4Low120 Ų120134 Ų13478%0.77976%0.757SS**  trans-68.4106.3-176.126.7-33.8000110.6E363P361-E363 PolarHBondContact O-N 3.31Å
362S57.3Low54.6Low117 Ų117134 Ų13482%0.81875%0.752SS**  trans-74.651.8172.246.30000111.8A360 A364A360-S362 PolarHBondContact O-N 2.92Å; S362-A364 PolarHBondContact O-N 2.94Å; S362-A364 VanDerWaalsContact O-N 3.07Å
363E61.7Low54.3Low135 Ų135134.1 Ų134.163%0.63175%0.753SS**  trans-75.697.9177.7-163.1173.2-140.400109.6P361 W365P361-E363 PolarHBondContact O-N 3.31Å; E363-W365 VanDerWaalsContact C-N 3.29Å; E363-W365 PolarHBondContact O-N 2.82Å; E363-W365 PolarHBondContact OE2-NE1 3.44Å
364A59.5Low53.4Low98 Ų98137.6 Ų137.681%0.8177%0.766SS**  trans-70.481.5178.900000111.3S362 G366S362-A364 PolarHBondContact O-N 2.94Å; S362-A364 VanDerWaalsContact O-N 3.07Å; A364-G366 PolarHBondContact O-N 2.93Å
365W58.3Low52.6Low214 Ų214136.2 Ų136.281%0.81176%0.757SS**  trans-67.884.4166.1-73.194.8000109.4E363E363-W365 VanDerWaalsContact C-N 3.29Å; E363-W365 PolarHBondContact O-N 2.82Å; E363-W365 PolarHBondContact OE2-NE1 3.44Å
366G50.2Low51.8Low67 Ų67137 Ų13769%0.69177%0.769SS**  trans-75.9179.6-167.500000115.7A364A364-G366 PolarHBondContact O-N 2.93Å
367N46.9Very low50.4Low146 Ų146141.7 Ų141.778%0.78178%0.783SS**  trans71.760.8174.9-154.893.6000116.1
368Y45.1Very low48.8Very low235 Ų235141 Ų14192%0.92278%0.779SS**  trans-108.7125.3130.7-102.1-97000108E370Y368-E370 PolarHBondContact O-N 3.12Å
369E51.3Low47Very low175 Ų175137.8 Ų137.882%0.81877%0.773SS**  trans-75.8112.2159.2-72-174140.400107P371E369-P371 WeakPolarHBondContact O-CD 3.43Å
370E45.4Very low45.6Very low168 Ų168138.2 Ų138.279%0.78577%0.771SS**  trans-74122.1168.8-173.3177.215200108.3Y368 T372Y368-E370 PolarHBondContact O-N 3.12Å; E370-T372 PolarHBondContact O-N 3.45Å
371P46Very low44.5Very low120 Ų120140.7 Ų140.778%0.77978%0.781SS**  trans-64.299.2176-2134000109.6E369 A373E369-P371 WeakPolarHBondContact O-CD 3.43Å; P371-A373 PolarHBondContact O-N 3.2Å; P371-A373 VanDerWaalsContact O-N 3.11Å
372T31.9Very low43.4Very low125 Ų125141.6 Ų141.677%0.76778%0.778SS**  trans-58.9117.6179.6-69.30000109.2E370 E374E370-T372 PolarHBondContact O-N 3.45Å; T372-E374 VanDerWaalsContact C-N 3.28Å; T372-E374 PolarHBondContact O-N 3.24Å
373A44.1Very low42.3Very low97 Ų97143.4 Ų143.480%0.80278%0.778SS**  trans-72.283.9173.900000109.7P371P371-A373 PolarHBondContact O-N 3.2Å; P371-A373 VanDerWaalsContact O-N 3.11Å
374E32.5Very low41.2Very low154 Ų154142.1 Ų142.172%0.7278%0.781SS**PPolyproline II helixtrans-60.5132.2173.4-164.2176.7135.100109.6T372T372-E374 VanDerWaalsContact C-N 3.28Å; T372-E374 PolarHBondContact O-N 3.24Å
375P42.1Very low40.3Very low108 Ų108146 Ų14670%0.70178%0.782SS**PPolyproline II helixtrans-69.1154.5-167.425.9-35.7000113.8Q377P375-Q377 PolarHBondContact O-N 3.34Å
376A39.5Very low39.5Very low105 Ų105140.8 Ų140.887%0.86878%0.776SS**PPolyproline II helixtrans-54.5119.5-176.200000113.4
377Q31.8Very low38.5Very low169 Ų169144.6 Ų144.679%0.7978%0.781SS**PPolyproline II helixtrans-88.9146.9163.2-61.4-161.620.500110.8P375P375-Q377 PolarHBondContact O-N 3.34Å
378L29.3Very low38.2Very low149 Ų149148 Ų14878%0.7879%0.789SS**PPolyproline II helixtrans-90.9147.7-173.7-71.9148.6000112.2
379Q36.2Very low37.9Very low166 Ų166141.7 Ų141.778%0.77679%0.785SS**  trans23.2148.2136-58.4170.419.600120.9
380E32.6Very low37.1Very low161 Ų161137.4 Ų137.475%0.75278%0.779SS**  cis-171.2123.8-17.9177.1176.9117.400109.8
381P40.8Very low36.6Very low125 Ų125137.1 Ų137.181%0.81278%0.782SS**  trans-141.6-176.1153.239-23.8000114.6
382L29.6Very low36.1Very low140 Ų140137.8 Ų137.873%0.73378%0.778SS**  trans-123.9142.9-176.4-100.172.9000112.6
383L33Very low36.2Very low154 Ų154136.8 Ų136.881%0.80678%0.783SS**  68.4147.8128.3-167.2149.1000120.1
384P39.6Very low35.7Very low108 Ų108136.2 Ų136.270%0.70178%0.778SS**  cis-124.3-175.4-10.139.3-22.7000115.4
385E39.5Very low35.8Very low179 Ų179133.4 Ų133.484%0.83678%0.781SS**  trans-73.1161.7160.9-79.7-164.3111.900113.3
386P42.3Very low35.5Very low105 Ų105136.9 Ų136.968%0.68279%0.788SS**  -147.7161.7106.439.6-24.6000117.8
387D28.2Very low35.2Very low147 Ų147139.3 Ų139.379%0.78679%0.786SS**  trans48109.9147.1-59.7-31.1000122.4
388K40.4Very low35.3Very low218 Ų218138.6 Ų138.695%0.94879%0.788SS**  trans-139.756157.5-66.9-170.6-178.4175.40113.3
389A40.1Very low35.4Very low103 Ų103139.6 Ų139.685%0.85179%0.788SS**  trans-123.949.9-179.500000113.3
390A33.9Very low35.4Very low84 Ų84139.2 Ų139.269%0.69479%0.792SS**  trans-153.882.8-17900000114.2
391L35.9Very low35.6Very low162 Ų162136.9 Ų136.985%0.84879%0.785SS**  trans-179.193.9157.4-102.1150.6000106.2
392I35.5Very low35.6Very low135 Ų135138.9 Ų138.969%0.69278%0.78SS**  57104.369.1-49.4169.7000108.9
393A32.5Very low35.8Very low104 Ų104138.8 Ų138.886%0.8678%0.781SS**  cis73.457.229.600000114.6
394A33.6Very low36.3Very low85 Ų85141 Ų14170%0.70278%0.784SS**  trans-156.8154.6161.200000109
395A35.6Very low35.7Very low94 Ų94138.8 Ų138.878%0.77778%0.781SS**  trans70104.3-165.700000113.3
396E35.1Very low35.6Very low182 Ų182136.4 Ų136.485%0.8577%0.774SS**  cis64.1135.812-67.9-166.415600117.5
397D33.3Very low35.3Very low156 Ų156136.3 Ų136.383%0.83478%0.782SS**  trans45.5118.1169.3-72.74000122.2
398D33.8Very low35.5Very low153 Ų153134.8 Ų134.882%0.81878%0.778SS**  -154.6105.7114.5-146.345.2000110.2
399E32.3Very low35.4Very low170 Ų170130.2 Ų130.279%0.79477%0.769SS**  trans38.9105.1131.1-146.3162.4-118.500118.5
400D36.1Very low34.8Very low159 Ų159131.8 Ų131.885%0.8576%0.762SS**  89.8161.850.3-163.136.4000115.6
401D37.4Very low34.7Very low112 Ų112131.7 Ų131.760%0.59977%0.77SS**  trans101.1142.3162.5-15813.9000119.1
402K39.9Very low34.5Very low166 Ų166126.7 Ų126.772%0.72275%0.752SS**  trans81.156.3171.2-53.8-164173.1600118.7
403D34.8Very low34.7Very low138 Ų138124.1 Ų124.174%0.73875%0.751SS**  30.5100.9105-177.929.8000117.2
404K41.5Very low34.8Very low200 Ų200127.9 Ų127.987%0.8775%0.748SS**  -165.6128125.8-106.6168-175.4176.80109.7
405G28.7Very low34.9Very low62 Ų62128.7 Ų128.764%0.63974%0.744SS**  cis101.159.81100000112.5
406D36.8Very low34.5Very low129 Ų129132.4 Ų132.469%0.6974%0.743SS**  -150.5144124.4-157.9-76.2000109.8T408D406-T408 WeakPolarHBondContact OD1-CB 3.47Å; D406-T408 PolarHBondContact OD1-N 2.87Å; D406-T408 PolarHBondContact OD1-OG1 3.32Å
407A36.3Very low34.3Very low103 Ų103132.7 Ų132.785%0.85174%0.742SS**  trans-134.660.5-179.200000110.8
408T31.2Very low34.6Very low115 Ų115135 Ų13571%0.70674%0.744SS**  trans-136.2145176.463.40000111.1D406D406-T408 WeakPolarHBondContact OD1-CB 3.47Å; D406-T408 PolarHBondContact OD1-N 2.87Å; D406-T408 PolarHBondContact OD1-OG1 3.32Å
409T38.2Very low35Very low123 Ų123136.8 Ų136.876%0.75575%0.745SS**  cis-125.6130.6-11.353.10000111.3
410D28.3Very low35.3Very low135 Ų135138.5 Ų138.572%0.72275%0.749SS**  15.1109.8118.7-163.3-57000116.9A412D410-A412 WeakPolarHBondContact OD1-CA 3.36Å; D410-A412 WeakPolarHBondContact OD1-CB 3.35Å; D410-A412 PolarHBondContact OD1-N 3.46Å
411G31.9Very low35.4Very low83 Ų83140.2 Ų140.286%0.85675%0.749SS**  trans-114.156162.800000110.6
412A32.5Very low35.4Very low56 Ų56144 Ų14446%0.46376%0.76SS.*  trans-54.3153.5-166.800000115.5D410D410-A412 WeakPolarHBondContact OD1-CA 3.36Å; D410-A412 WeakPolarHBondContact OD1-CB 3.35Å; D410-A412 PolarHBondContact OD1-N 3.46Å
413A39.8Very low35.4Very low82 Ų82144.1 Ų144.168%0.67876%0.761SS**  trans-53168.9152.900000111.4
414K33Very low35.7Very low182 Ų182145.3 Ų145.379%0.79176%0.759SS**  trans96.3144176.1-51.8147.1-164.4163.30112.6
415T36.1Very low35.2Very low103 Ų103140.8 Ų140.863%0.63275%0.749SS**  cis-167.7171.5-8.1260000113.3
416K27.3Very low35.3Very low172 Ų172142.7 Ų142.775%0.74875%0.752SS**  trans76112.6133.4-83.1160.4-168163.90121.5
417K31.5Very low34.8Very low188 Ų188144.7 Ų144.782%0.81776%0.758SS**  83.4105.7101.5-172.8-172.5177.6-178.40120.2
418K39Very low35Very low205 Ų205149.4 Ų149.489%0.89176%0.762SS**  trans-151.4145.3131.9-104173.5-180169.70108.1
419K41.7Very low34.8Very low190 Ų190147.5 Ų147.583%0.82677%0.765SS**  cis163.3150.9-14.5167.3175.1177.3-179.70105.8
420K39.8Very low34.2Very low205 Ų205145.4 Ų145.489%0.89177%0.768SS**  trans95.1141.9-173.4-161.9178.8-176.6179.80110.2
421K37.4Very low34.4Very low196 Ų196145.6 Ų145.685%0.85277%0.774SS**  cis-108.5-86.36.4-169.6-177.5179.4-1770114.1
422K38.8Very low34.7Very low190 Ų190147.5 Ų147.583%0.82677%0.771SS**  trans-174.5157.5-167-111.7-179.3-179.6176.40108.2
423K39.4Very low34.4Very low170 Ų170148.3 Ų148.374%0.73979%0.785SS**  cis-172.3129.43.8-171.9-160.8172.2-162.80114.4
424K41.2Very low33.6Very low162 Ų162153.3 Ų153.370%0.70479%0.794SS**  trans42.2168145.9-64.4-164.8149.7-1350121.4
425T31.3Very low33.3Very low106 Ų106150.6 Ų150.665%0.6579%0.792SS**  cis-154.7167.41.1-4.10000106.8
426S29.9Very low32.8Very low102 Ų102152.9 Ų152.971%0.71380%0.801SS**  cis-136.6146.611.8-96.70000108.6
427E27.2Very low32.7Very low171 Ų171152.8 Ų152.880%0.79980%0.803SS**  80.9112.558-153163.4123.900112.6
428E39.4Very low32.5Very low202 Ų202151 Ų15194%0.94480%0.802SS**  trans-149.3149.4-170.1-174.9-159.2128.200109
429G26.8Very low31.9Very low74 Ų74145.5 Ų145.576%0.76380%0.795SS**  trans158150.6169.400000111.1
430G25.2Very low31.5Very low79 Ų79146.3 Ų146.381%0.81480%0.798SS**  cis-175.1166.3-4.300000111
431T33Very low31Very low140 Ų140145.6 Ų145.686%0.85980%0.798SS**  trans-102.5178.8177.955.70000110.7
432P38.8Very low30.6Very low123 Ų123141.2 Ų141.280%0.79980%0.798SS**  cis-135.8-178.3-143.3-26.6000115.9
433G24.8Very low29.9Very low72 Ų72141.2 Ų141.274%0.74280%0.801SS**  trans83.593130.100000123.7
434Q25Very low29.3Very low188 Ų188137.3 Ų137.388%0.87980%0.801SS**  trans63.9155.2138-142.3174.82.700123.1
435V25.5Very low28.6Very low124 Ų124134 Ų13475%0.75280%0.803SS**  trans76.6142.5173-52.20000119.8
436D25.6Very low28.7Very low152 Ų152135.3 Ų135.381%0.81381%0.813SS**  trans-9.4138.8-176-62.4-106.8000120
437E25.1Very low28.8Very low169 Ų169134.8 Ų134.879%0.7982%0.816SS**  -160.5160.254.2-152.5-16788.700113.6
438L27Very low29.3Very low150 Ų150133 Ų13379%0.78582%0.818SS**  trans50.3101.5153-157.276.6000121.2
439A28.1Very low28.8Very low90 Ų90127.7 Ų127.774%0.74481%0.81SS**  167.4125.511000000115.8
440K33.2Very low29.2Very low208 Ų208130.6 Ų130.690%0.90481%0.812SS**  trans54.9110.5155.9-74.8-173172.4-177.90120.7
441E27.6Very low29.5Very low190 Ų190132 Ų13289%0.88881%0.809SS**  trans-55.9157.6146.3-58.3158.584.800112.9
442A29.1Very low29.4Very low103 Ų103131 Ų13185%0.85180%0.803SS**  trans-166.886.9130.600000110.4
443E25.7Very low29Very low191 Ų191134.2 Ų134.289%0.89380%0.804SS**  trans-84.5179.9157.2-144.6-161.2118.300110.3
444A26.2Very low29.3Very low88 Ų88140.2 Ų140.273%0.72781%0.81SS**  trans-49.9132.3-167.200000117.6
445A26.4Very low30.1Very low91 Ų91136.5 Ų136.575%0.75280%0.802SS**  -177138.1125.400000113.3
446P32.6Very low31.4Very low134 Ų134135.9 Ų135.987%0.8780%0.801SS**  trans-112.194163.835.6-26000113
447A33.5Very low32.4Very low92 Ų92133.7 Ų133.776%0.7680%0.795SS**  trans-165.4146.5165.500000107.6
448P37.6Very low32.6Very low132 Ų132131.7 Ų131.786%0.85779%0.794SS**  -149.2164.155.540.4-21.3000117.8
449A28.9Very low32.9Very low92 Ų92132.5 Ų132.576%0.7679%0.794SS**  trans-156.6101.8161.700000114.5
450V34Very low32.9Very low134 Ų134135.7 Ų135.781%0.81279%0.793SS**  trans56.9137.8152-117.80000123.4
451S31.2Very low32.8Very low108 Ų108132.3 Ų132.376%0.75579%0.785SS**  trans76.6147.2148.3-65.50000120.4
452V32.7Very low32.9Very low121 Ų121127.8 Ų127.873%0.73378%0.78SS**  cis-165.9148.3-21.9114.20000111
453K29.3Very low32.9Very low190 Ų190127.5 Ų127.583%0.82678%0.778SS**  trans47.3103.9162.1-67.2172.3-178.9175.90123.1
454K31.4Very low33.2Very low197 Ų197123 Ų12386%0.85777%0.774SS**  29.6143.899.5-166.8177.1-178.8172.90119.7
455P42.1Very low33.5Very low110 Ų110125.5 Ų125.571%0.71478%0.779SS**  cis-135.2-133.3-15.640.9-16.2000116.6
456P52.8Low33.7Very low112 Ų112129.6 Ų129.673%0.72778%0.783SS**  trans-127.1-138-133.241.6-14.4000113.5
457P47Very low33.7Very low105 Ų105128.9 Ų128.968%0.68278%0.781SS**  cis-138.3-165.3-17.232.9-7.3000116.7
458V29.1Very low33.4Very low127 Ų127130.1 Ų130.177%0.7778%0.779SS**  trans60.9164.3165.4-1000000118.8
459E32.1Very low33Very low168 Ų168133.5 Ų133.579%0.78578%0.78SS**  cis-143.6143.85-116.8165108.200107.3
460E28.3Very low33Very low156 Ų156133 Ų13373%0.72978%0.776SS**  91.6134.474.2-168.1160.2166.100118.1
461N31.5Very low32.7Very low138 Ų138131.1 Ų131.174%0.73877%0.774SS**  trans17127.7164.3-77.5-56.3000124.7
462A30.1Very low32.4Very low94 Ų94130.7 Ų130.778%0.77778%0.777SS**  176.2137.111100000109.4
463A29.5Very low32.3Very low98 Ų98132 Ų13281%0.8179%0.786SS**  cis75120.835.500000114.3
464A30Very low32.3Very low97 Ų97131.4 Ų131.480%0.80279%0.785SS**  cis-127.6-122.5-11.200000111.9
465V32.8Very low32.2Very low139 Ų139126.9 Ų126.984%0.84279%0.785SS**  cis-149.2173.38.3-170.10000108.2
466Q31.5Very low31.7Very low178 Ų178133 Ų13383%0.83279%0.794SS**  trans-114.5152.1178.1-58.1173.7-12.700114.1
467S31.3Very low30.4Very low118 Ų118131.1 Ų131.183%0.82579%0.794SS**  trans-16986.314758.70000116.5
468V28.9Very low29.5Very low119 Ų119132.5 Ų132.572%0.72180%0.796SS**  trans17.5135.2132.6-175.50000122.2
469K28.8Very low29.7Very low202 Ų202136.7 Ų136.788%0.87880%0.798SS**  trans68.3159.2157.6-81.1176.4171.5178.50119.4
470A28.5Very low30.4Very low83 Ų83134 Ų13469%0.68680%0.795SS**  cis-176.7168.9-32.500000110.3
471A28Very low30.4Very low93 Ų93131.6 Ų131.677%0.76979%0.791SS**  trans51.7107.3162.300000117.8
472A25.3Very low30.5Very low99 Ų99134.4 Ų134.482%0.81880%0.797SS**  70.2115.975.900000115.2
473V30.4Very low30.5Very low150 Ų150136.9 Ų136.991%0.90980%0.797SS**  trans-168.1151.8141.2134.60000109.7
474E29.3Very low30.6Very low176 Ų176138.1 Ų138.182%0.82279%0.794SS**  trans-83.4141.8-179.2-178.3-171.6157.800112.7
475A29.3Very low30.8Very low102 Ų102140.5 Ų140.584%0.84379%0.792SS**  trans-152.7140.4162.100000111.2
476R30.5Very low30.7Very low239 Ų239138.9 Ų138.990%0.90279%0.787SS**  trans-128.9134.7-173-174-176.4-171.2-90.15.3111.7
477G26.6Very low30.7Very low72 Ų72140 Ų14074%0.74279%0.792SS**  trans117159.5175.100000113.2
478D27.6Very low30.9Very low134 Ų134144 Ų14472%0.71780%0.795SS**  cis-158167.3-8.6-167.2-141000110.1
479R33.3Very low31.6Very low215 Ų215143.5 Ų143.581%0.81179%0.794SS**  trans75.3158.6159.1-83.3154.9-175.3-91.8-10.5120.9
480P47.5Very low32.2Very low112 Ų112139.8 Ų139.873%0.72779%0.791SS**  trans-145.6-135.6-139.442-16.8000114.2
481V27.9Very low32.3Very low106 Ų106141.9 Ų141.964%0.64280%0.795SS**  trans86105.7165.9-175.10000117.4
482K33.7Very low32.6Very low197 Ų197142.6 Ų142.686%0.85779%0.79SS**  -169.5129.5102.3-118.2119-170.1175.50113.4
483D30.1Very low32.9Very low145 Ų145147.4 Ų147.478%0.77580%0.795SS**  trans-75.8170.2163.5-49.6-101.1000111.8
484T31.2Very low33.1Very low124 Ų124145.6 Ų145.676%0.76178%0.784SS**  177.2103.7126.8-74.80000113.9
485I34.5Very low33.6Very low147 Ų147143.2 Ų143.275%0.75478%0.784SS**  trans65.3113.6134.5-57.5179.7000122.3
486S29.6Very low33.8Very low106 Ų106147.6 Ų147.674%0.74179%0.787SS**  trans38130.5134.5-52.50000124.6
487Q32Very low33.9Very low200 Ų200145.4 Ų145.494%0.93578%0.784SS**  -148.9165.3115.1-113.3176.872.800111.6
488K36Very low35.1Very low203 Ų203147.1 Ų147.188%0.88378%0.782SS**  trans-113.4161.9-172.3-104.5-170.2175.5-177.90113.2
489P43.4Very low35.3Very low109 Ų109147.6 Ų147.671%0.70879%0.79SS**  trans-100.3165.5-162.239.1-37.8000116.1
490P41.1Very low35.2Very low124 Ų124145 Ų14581%0.80579%0.792SS**  trans-90.9104.5170.734.4-31.7000114.1
491V31.5Very low34.2Very low126 Ų126142.9 Ų142.976%0.76479%0.791SS**  27.3109.6129.2-179.10000119.6
492T33.1Very low34.4Very low109 Ų109144.2 Ų144.267%0.66980%0.795SS**  53.2122.8128-46.70000122.5V494T492-V494 HydrophobicContact CG2-CG2 3.81Å
493Q33Very low35.1Very low199 Ų199140.7 Ų140.793%0.9379%0.792SS**  trans-131.8159134.6-76.8-159.637.100110.6
494V34.7Very low35Very low113 Ų113137.8 Ų137.869%0.68579%0.788SS**  trans-120.4138.5-166178.60000111.5T492T492-V494 HydrophobicContact CG2-CG2 3.81Å
495P38.1Very low35Very low126 Ų126136.2 Ų136.282%0.81879%0.787SS**  trans-72135.6174.3-13.829.1000112.5
496Q33.6Very low34.9Very low194 Ų194138.4 Ų138.491%0.90779%0.791SS**  trans-102.8152.1173.3-66.8-168.88.700112.9
497K34.5Very low35.2Very low193 Ų193141.5 Ų141.584%0.83979%0.794SS**  trans-169.3160.1-178.6-174.4-174.1178.2-170.80108.3
498P50.7Low35.1Very low107 Ų107137.6 Ų137.670%0.69578%0.78SS**  cis-103.8-159.2-45.538-24000109.5
499T32.7Very low35.2Very low145 Ų145134.6 Ų134.689%0.8977%0.773SS**  trans-142142.7159.2-63.40000109.6
500D30.2Very low35Very low160 Ų160136.5 Ų136.586%0.85678%0.777SS**  trans-106.5160.3-178.6-159.8-65.1000109.5
501G27.6Very low35Very low68 Ų68136.7 Ų136.770%0.70178%0.778SS**  trans154.179179.400000116.7
502D31Very low35Very low134 Ų134134.5 Ų134.572%0.71777%0.773SS**  trans-73151.4159.8-176-103000110.9A504D502-A504 PolarHBondContact OD1-N 2.8Å
503P48.8Very low36.1Very low122 Ų122134.4 Ų134.479%0.79278%0.775SS**  -142.8112.8124.534.6-19.8000114.6
504A27.8Very low36Very low84 Ų84130.9 Ų130.969%0.69477%0.767SS**  trans-76.1130.1171.700000113.8D502D502-A504 PolarHBondContact OD1-N 2.8Å
505A30.9Very low36Very low91 Ų91132.8 Ų132.875%0.75277%0.768SS**  trans-157.594.9157.100000115.8
506K32.7Very low35.6Very low193 Ų193134.6 Ų134.684%0.83977%0.766SS**  trans67.9134134.8-69.1177.1179.3172.40122.7
507Q35.3Very low35.6Very low171 Ų171135.3 Ų135.380%0.79977%0.766SS**  trans84.6136.2145.3-74.5174.5-8.600118.7
508N31Very low35.6Very low119 Ų119134.9 Ų134.964%0.63676%0.764SS**  cis-148.2144.63.1-143.75.2000117.2
509N37.4Very low34.5Very low139 Ų139135.7 Ų135.774%0.74377%0.767SS**  trans56.4120.4151.9-77.8-16.7000123.5
510L39.6Very low34.3Very low150 Ų150137.2 Ų137.279%0.78576%0.764SS**  trans-64.6174.3144.4-68.6161000111.1
511P40.2Very low34.3Very low128 Ų128137.4 Ų137.483%0.83176%0.76SS**  -130.415710537.8-33.1000114.7
512A31.5Very low34.6Very low80 Ų80138 Ų13866%0.66175%0.753SS**  trans-134-176.4167.700000107.4
513P57.6Low34.9Very low107 Ų107138.7 Ų138.770%0.69575%0.752SS**  cis-117.9-149.3-49.432.1-15.4000109.6
514T29.5Very low34.5Very low125 Ų125138.9 Ų138.977%0.76775%0.751SS**  trans79.2156.6168.584.60000115.9
515Q34.7Very low35.1Very low153 Ų153140.6 Ų140.672%0.71576%0.755SS**  cis-134144.67.9-86.5-163.568.500115
516Q30.8Very low35.4Very low164 Ų164143.6 Ų143.677%0.76675%0.751SS**  trans30.6134.5132.8-46.4-175.422.300122.5
517K34Very low35.9Very low208 Ų208140.3 Ų140.390%0.90475%0.749SS**  -148.3138.7109-140.1176.7-177.4177.80112
518K33.7Very low36.4Very low185 Ų185136.8 Ų136.880%0.80475%0.75SS**  trans-89.8171.9164.2-69.2-174.5176.5-177.80108.5
519T28.4Very low36.9Very low124 Ų124141 Ų14176%0.76176%0.762SS**  -173.6177.957.9-63.20000109.7
520E27.5Very low37.4Very low176 Ų176144.4 Ų144.482%0.82277%0.77SS**  trans78.5108.1171-121.7153.6104.100114.1
521E31.3Very low38Very low165 Ų165146.9 Ų146.977%0.77178%0.775SS**  cis83.213835.2-149.5-139.9101.300114.6
522S32.2Very low38.1Very low80 Ų80150.4 Ų150.456%0.55978%0.777SS**  trans52.5101.2161.2-74.90000120.1
523Q37.4Very low39.1Very low149 Ų149151 Ų15170%0.69678%0.782SS**  -171.3131.997.6-100.9155.5112.400116.3
524V41.1Very low38.7Very low125 Ų125155.3 Ų155.376%0.75878%0.784SS**  trans-74.4138.2155.3176.30000109.1K526V524-K526 PolarHBondContact O-N 3.46Å; V524-K526 VanDerWaalsContact O-N 3.14Å
525P39.6Very low39.9Very low121 Ų121160.4 Ų160.479%0.78679%0.79SS**  trans-59.6115.4172.8-25.235.5000112.2
526K37.8Very low40.8Very low154 Ų154159.3 Ų159.367%0.6779%0.785SS**PPolyproline II helixtrans-67.2140.4-177.1-69.7152.8177156.70111.6V524 A528V524-K526 PolarHBondContact O-N 3.46Å; V524-K526 VanDerWaalsContact O-N 3.14Å; K526-A528 PolarHBondContact O-N 3.35Å
527P44.2Very low41.4Very low123 Ų123161.1 Ų161.180%0.79981%0.807SS**PPolyproline II helixtrans-64.7131.5168.227.9-33.7000110.3K529P527-K529 PolarHBondContact O-N 3.41Å
528A44.8Very low41.7Very low98 Ų98158.8 Ų158.881%0.8180%0.802SS**PPolyproline II helixtrans-67.1123.9-17500000112.3K526 K530K526-A528 PolarHBondContact O-N 3.35Å; A528-K530 PolarHBondContact O-N 3.12Å
529K40.9Very low42.1Very low207 Ų207157.4 Ų157.490%0.980%0.802SS**PPolyproline II helixtrans-61.4117.1174.5-70.3-178.7177.4178.80110.2P527 K531P527-K529 PolarHBondContact O-N 3.41Å; K529-K531 PolarHBondContact O-N 3.37Å
530K48.2Very low42.9Very low211 Ų211159.2 Ų159.292%0.91780%0.804SS**PPolyproline II helixtrans-65.8119.3167.7-78.8-170.8174.6-177.90109.7A528 K532A528-K530 PolarHBondContact O-N 3.12Å; K530-K532 PolarHBondContact O-N 2.79Å
531K51.8Low43.8Very low201 Ų201158.2 Ų158.287%0.87480%0.803SS**PPolyproline II helixtrans-66.5119.7-178.3-168.1175-177.1179.30110K529 A533K529-K531 PolarHBondContact O-N 3.37Å; K531-A533 PolarHBondContact O-N 3.39Å; K531-A533 VanDerWaalsContact O-N 3.12Å
532K42.5Very low44.6Very low203 Ų203157.8 Ų157.888%0.88381%0.805SS**  trans-68105.5173.6-176.6178.8-179.8-179.10108.7K530 R534K530-K532 PolarHBondContact O-N 2.79Å; K532-R534 PolarHBondContact O-N 2.69Å; K532-R534 VanDerWaalsContact O-N 3.16Å
533A53.7Low45.4Very low93 Ų93163 Ų16377%0.76982%0.821SS**  trans-73.3103.6173.800000109.6K531 R535K531-A533 PolarHBondContact O-N 3.39Å; K531-A533 VanDerWaalsContact O-N 3.12Å; A533-R535 PolarHBondContact O-N 3.16Å
534R48.2Very low46Very low197 Ų197164 Ų16474%0.74383%0.83SS**  trans-65.3119.1161.2174.5177.9176166.8-0.5107.2K532 E536K532-R534 PolarHBondContact O-N 2.69Å; K532-R534 VanDerWaalsContact O-N 3.16Å; R534-E536 IonicContact CZ-OE1 3.5Å; R534-E536 IonicContact CZ-OE2 3.28Å; R534-E536 VanDerWaalsContact CZ-OE2 3.28Å; R534-E536 VanDerWaalsContact NE-CD 3.3Å; R534-E536 IonicContact NE-OE1 3.51Å; R534-E536 IonicContact NE-OE2 2.68Å; R534-E536 PolarHBondContact NE-OE2 2.68Å; R534-E536 VanDerWaalsContact NH2-CD 3.27Å; R534-E536 IonicContact NH2-OE1 2.69Å; R534-E536 PolarHBondContact NH2-OE1 3.11Å; R534-E536 IonicContact NH2-OE2 3.11Å; R534-E536 PolarHBondContact NH2-OE2 3.37Å; R534-E536 VanDerWaalsContact NH2-OE2 3.11Å
535R55.1Low46.4Very low232 Ų232167 Ų16788%0.87584%0.836SS**  trans-123.2100.8164.6-165.7180-164.9-1734.5107.4A533A533-R535 PolarHBondContact O-N 3.16Å
536E53.2Low46.9Very low130 Ų130170.8 Ų170.861%0.60784%0.84SS**  trans-80.4120.2157.7-73.1146.9131.700107.3R534R534-E536 IonicContact CZ-OE1 3.5Å; R534-E536 IonicContact CZ-OE2 3.28Å; R534-E536 VanDerWaalsContact CZ-OE2 3.28Å; R534-E536 VanDerWaalsContact NE-CD 3.3Å; R534-E536 IonicContact NE-OE1 3.51Å; R534-E536 IonicContact NE-OE2 2.68Å; R534-E536 PolarHBondContact NE-OE2 2.68Å; R534-E536 VanDerWaalsContact NH2-CD 3.27Å; R534-E536 IonicContact NH2-OE1 2.69Å; R534-E536 PolarHBondContact NH2-OE1 3.11Å; R534-E536 IonicContact NH2-OE2 3.11Å; R534-E536 PolarHBondContact NH2-OE2 3.37Å; R534-E536 VanDerWaalsContact NH2-OE2 3.11Å
537T42.9Very low47.8Very low201 Ų201172.4 Ų172.4100%1.23386%0.856SS**  -168.30114.835.40000107.2

Retrieved 537 of 537 residues in 296.7 ms (Link to these results)