A0A087XJ88_POEFO Loading...

Neuronal tyrosine phosphorylated phosphoinositide-3-kinase adaptor 1

AlphaFold DB , UniProt , Accession A0A087XJ88, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,024 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
1M40.7Very low61.5Low241 Ų241105.8 Ų105.8100%1.18767%0.665SS**  0119.50-67.4158.169.300106.4
2S43.8Very low63.4Low126 Ų126106.3 Ų106.388%0.88165%0.653SS**  trans-89.4126.8-178.1-160.90000110.1G4S2-G4 VanDerWaalsContact C-N 3.28Å; S2-G4 PolarHBondContact O-N 3.48Å
3S52.3Low65.3Low119 Ų119107.2 Ų107.283%0.83264%0.644SS**  trans-77.978.5177.8-58.80000109.8S5S3-S5 PolarHBondContact O-N 3.25Å
4G52.3Low67.1Low47 Ų47108.4 Ų108.449%0.48564%0.637SS.*  trans-50.6128.5170.600000109.6S2S2-G4 VanDerWaalsContact C-N 3.28Å; S2-G4 PolarHBondContact O-N 3.48Å
5S62.1Low68.7Low54 Ų54107.1 Ų107.138%0.37863%0.626SS.*  trans-63.7155.3-170.272.40000111S3 Q7 D8 V9S3-S5 PolarHBondContact O-N 3.25Å; S5-Q7 PolarHBondContact O-N 2.83Å; S5-Q7 PolarHBondContact OG-N 3.24Å; S5-D8 WeakPolarHBondContact O-CB 3.15Å; S5-D8 PolarHBondContact O-N 3.16Å; S5-D8 PolarHBondContact OG-N 3.15Å; S5-D8 VanDerWaalsContact OG-N 3.08Å; S5-V9 PolarHBondContact O-N 3.26Å
6A61.3Low70Confident91 Ų91110 Ų11075%0.75262%0.623SS**Hα-helixtrans-59.3-21.9174.300000112.4A10A6-A10 WeakPolarHBondContact O-CB 3.49Å; A6-A10 PolarHBondContact O-N 3.21Å
7Q59.5Low71.2Confident154 Ų154105.6 Ų105.672%0.7260%0.597SS**Hα-helixtrans-73.1-42.7172.3-67.7174.6-20.400112S5 V9 A10 V11S5-Q7 PolarHBondContact O-N 2.83Å; S5-Q7 PolarHBondContact OG-N 3.24Å; Q7-V9 VanDerWaalsContact C-N 3.33Å; Q7-V9 PolarHBondContact O-N 3.19Å; Q7-A10 PolarHBondContact O-N 3.01Å; Q7-A10 VanDerWaalsContact O-N 3.17Å; Q7-V11 WeakPolarHBondContact O-CG2 3.15Å; Q7-V11 PolarHBondContact O-N 3.09Å
8D69.4Low72.4Confident97 Ų97103.9 Ų103.952%0.51959%0.585SS.*Hα-helixtrans-56.5-47.1173-90.9-28.7000111.1S5 A10 V11 E12S5-D8 WeakPolarHBondContact O-CB 3.15Å; S5-D8 PolarHBondContact O-N 3.16Å; S5-D8 PolarHBondContact OG-N 3.15Å; S5-D8 VanDerWaalsContact OG-N 3.08Å; D8-A10 VanDerWaalsContact C-N 3.28Å; D8-A10 PolarHBondContact O-N 2.74Å; D8-V11 PolarHBondContact O-N 3.14Å; D8-E12 WeakPolarHBondContact O-CB 3.22Å; D8-E12 PolarHBondContact O-N 3.26Å
9V76.3Confident73.4Confident97 Ų97103.5 Ų103.559%0.58858%0.578SS**Hα-helixtrans-64.1-35.3179.7-177.80000111.4S5 Q7 H13S5-V9 PolarHBondContact O-N 3.26Å; Q7-V9 VanDerWaalsContact C-N 3.33Å; Q7-V9 PolarHBondContact O-N 3.19Å; V9-H13 WeakPolarHBondContact O-CB 3.21Å; V9-H13 PolarHBondContact O-N 3.47Å
10A76.5Confident74.3Confident60 Ų60103.1 Ų103.150%0.49657%0.567SS.*Hα-helixtrans-70.5-39.7174.700000112.5A6 Q7 D8 H13 F14A6-A10 WeakPolarHBondContact O-CB 3.49Å; A6-A10 PolarHBondContact O-N 3.21Å; Q7-A10 PolarHBondContact O-N 3.01Å; Q7-A10 VanDerWaalsContact O-N 3.17Å; D8-A10 VanDerWaalsContact C-N 3.28Å; D8-A10 PolarHBondContact O-N 2.74Å; A10-H13 PolarHBondContact O-N 2.84Å; A10-F14 VanDerWaalsContact O-CB 3.29Å; A10-F14 WeakPolarHBondContact O-CB 3.19Å; A10-F14 PolarHBondContact O-N 2.85Å
11V82.4Confident74.9Confident78 Ų78104.2 Ų104.247%0.47356%0.563SS.*Hα-helixtrans-65.9-46.6175.2169.90000110.6Q7 D8 H13 F14 L15Q7-V11 WeakPolarHBondContact O-CG2 3.15Å; Q7-V11 PolarHBondContact O-N 3.09Å; D8-V11 PolarHBondContact O-N 3.14Å; V11-H13 VanDerWaalsContact C-N 3.35Å; V11-H13 PolarHBondContact O-N 2.96Å; V11-F14 WeakPolarHBondContact O-CB 3.06Å; V11-F14 PolarHBondContact O-N 3.39Å; V11-L15 HydrophobicContact CG1-CD1 3.84Å; V11-L15 HydrophobicContact CG1-CG 4.26Å; V11-L15 WeakPolarHBondContact O-CB 3.2Å; V11-L15 VanDerWaalsContact O-CG 3.31Å; V11-L15 WeakPolarHBondContact O-CG 3.21Å; V11-L15 PolarHBondContact O-N 2.84Å
12E84.7Confident77.1Confident112 Ų11296.1 Ų96.152%0.52353%0.53SS..Hα-helixtrans-57.3-45.2172.5-89.9-64.8128.800111.9D8 F14 L15 R16D8-E12 WeakPolarHBondContact O-CB 3.22Å; D8-E12 PolarHBondContact O-N 3.26Å; E12-F14 VanDerWaalsContact C-N 3.33Å; E12-F14 PolarHBondContact O-N 3.43Å; E12-L15 PolarHBondContact O-N 3.21Å; E12-R16 VanDerWaalsContact O-CB 3.31Å; E12-R16 WeakPolarHBondContact O-CB 3.45Å; E12-R16 VanDerWaalsContact O-CG 3.29Å; E12-R16 WeakPolarHBondContact O-CG 3.12Å; E12-R16 PolarHBondContact O-N 3.14Å
13H87.3Confident79Confident117 Ų11795.4 Ų95.454%0.54251%0.511SS..Hα-helixtrans-66.6-35.3177.5-168.1-95.8000112.6V9 A10 V11 D17V9-H13 WeakPolarHBondContact O-CB 3.21Å; V9-H13 PolarHBondContact O-N 3.47Å; A10-H13 PolarHBondContact O-N 2.84Å; V11-H13 VanDerWaalsContact C-N 3.35Å; V11-H13 PolarHBondContact O-N 2.96Å; H13-D17 WeakPolarHBondContact O-CB 3.38Å; H13-D17 PolarHBondContact O-N 2.89Å
14F90.4Very high80.2Confident124 Ų12496.9 Ų96.954%0.54450%0.498SS..Hα-helixtrans-67.6-46.9174.6178.1-110.1000112A10 V11 E12 D17 I18A10-F14 VanDerWaalsContact O-CB 3.29Å; A10-F14 WeakPolarHBondContact O-CB 3.19Å; A10-F14 PolarHBondContact O-N 2.85Å; V11-F14 WeakPolarHBondContact O-CB 3.06Å; V11-F14 PolarHBondContact O-N 3.39Å; E12-F14 VanDerWaalsContact C-N 3.33Å; E12-F14 PolarHBondContact O-N 3.43Å; F14-D17 PolarHBondContact O-N 3.42Å; F14-I18 HydrophobicContact CD1-CD1 3.83Å; F14-I18 HydrophobicContact CE1-CD1 3.44Å; F14-I18 VanDerWaalsContact CE1-CD1 3.44Å; F14-I18 HydrophobicContact CE2-CD1 4.22Å; F14-I18 HydrophobicContact CG-CD1 4.38Å; F14-I18 HydrophobicContact CZ-CD1 3.67Å; F14-I18 HydrophobicContact CZ-CG1 4.48Å; F14-I18 WeakPolarHBondContact O-CG1 2.98Å; F14-I18 PolarHBondContact O-N 3.34Å
15L92Very high81.5Confident89 Ų89100.2 Ų100.247%0.46651%0.505SS..Hα-helixtrans-62.6-44.4175.7-70.4173.8000111.4V11 E12 D17 I18 E19V11-L15 HydrophobicContact CG1-CD1 3.84Å; V11-L15 HydrophobicContact CG1-CG 4.26Å; V11-L15 WeakPolarHBondContact O-CB 3.2Å; V11-L15 VanDerWaalsContact O-CG 3.31Å; V11-L15 WeakPolarHBondContact O-CG 3.21Å; V11-L15 PolarHBondContact O-N 2.84Å; E12-L15 PolarHBondContact O-N 3.21Å; L15-D17 VanDerWaalsContact C-N 3.29Å; L15-D17 PolarHBondContact O-N 3.37Å; L15-I18 PolarHBondContact O-N 2.98Å; L15-E19 WeakPolarHBondContact O-CB 3.43Å; L15-E19 PolarHBondContact O-N 3.42Å
16R88.7Confident82.3Confident154 Ų154103.4 Ų103.458%0.58151%0.513SS*.Hα-helixtrans-64.7-30.3174-71.5-170.972175.13.9112.9E12 R20E12-R16 VanDerWaalsContact O-CB 3.31Å; E12-R16 WeakPolarHBondContact O-CB 3.45Å; E12-R16 VanDerWaalsContact O-CG 3.29Å; E12-R16 WeakPolarHBondContact O-CG 3.12Å; E12-R16 PolarHBondContact O-N 3.14Å; R16-R20 WeakPolarHBondContact O-CB 3.3Å; R16-R20 PolarHBondContact O-N 3.19Å
17D90.9Very high82.7Confident35 Ų35101.3 Ų101.319%0.18749%0.493CS..Hα-helixtrans-79.8-31.5173.9-166.460.6000113.4H13 F14 L15 R20 R21H13-D17 WeakPolarHBondContact O-CB 3.38Å; H13-D17 PolarHBondContact O-N 2.89Å; F14-D17 PolarHBondContact O-N 3.42Å; L15-D17 VanDerWaalsContact C-N 3.29Å; L15-D17 PolarHBondContact O-N 3.37Å; D17-R20 PolarHBondContact O-N 2.81Å; D17-R20 IonicContact OD1-CZ 3.4Å; D17-R20 IonicContact OD1-NH1 2.71Å; D17-R20 PolarHBondContact OD1-NH1 2.97Å; D17-R21 WeakPolarHBondContact O-CB 3.3Å; D17-R21 WeakPolarHBondContact O-CG 3.49Å; D17-R21 PolarHBondContact O-N 3.08Å; D17-R21 IonicContact OD2-CZ 3.46Å; D17-R21 IonicContact OD2-NE 2.76Å; D17-R21 PolarHBondContact OD2-NE 3.36Å; D17-R21 IonicContact OD2-NH2 2.66Å; D17-R21 PolarHBondContact OD2-NH2 3.17Å
18I92.7Very high83.1Confident75 Ų7597 Ų9739%0.38548%0.483SS..Hα-helixtrans-60-48165.8-72.5169000109.6F14 L15 R20 R21 S22F14-I18 HydrophobicContact CD1-CD1 3.83Å; F14-I18 HydrophobicContact CE1-CD1 3.44Å; F14-I18 VanDerWaalsContact CE1-CD1 3.44Å; F14-I18 HydrophobicContact CE2-CD1 4.22Å; F14-I18 HydrophobicContact CG-CD1 4.38Å; F14-I18 HydrophobicContact CZ-CD1 3.67Å; F14-I18 HydrophobicContact CZ-CG1 4.48Å; F14-I18 WeakPolarHBondContact O-CG1 2.98Å; F14-I18 PolarHBondContact O-N 3.34Å; L15-I18 PolarHBondContact O-N 2.98Å; I18-R20 PolarHBondContact O-N 2.99Å; I18-R21 PolarHBondContact O-N 3.29Å; I18-S22 VanDerWaalsContact O-CB 3.27Å; I18-S22 WeakPolarHBondContact O-CB 3.34Å; I18-S22 PolarHBondContact O-N 3.19Å
19E91.9Very high83.2Confident96 Ų9698.4 Ų98.445%0.44950%0.495SS..Hα-helixtrans-62.2-42.7178.1-158.4-146-154.300111.4L15 R21 S22 K23L15-E19 WeakPolarHBondContact O-CB 3.43Å; L15-E19 PolarHBondContact O-N 3.42Å; E19-R21 PolarHBondContact O-N 2.92Å; E19-S22 PolarHBondContact O-N 3.25Å; E19-K23 HydrophobicContact CG-CD 4.32Å; E19-K23 WeakPolarHBondContact O-CB 3.35Å; E19-K23 WeakPolarHBondContact O-CG 3.29Å; E19-K23 PolarHBondContact O-N 3.17Å; E19-K23 VanDerWaalsContact OE1-CE 3.26Å; E19-K23 WeakPolarHBondContact OE1-CE 3.4Å; E19-K23 IonicContact OE1-NZ 2.68Å; E19-K23 PolarHBondContact OE1-NZ 2.98Å; E19-K23 WeakPolarHBondContact OE2-CE 3.43Å; E19-K23 IonicContact OE2-NZ 3.81Å; E19-K23 PolarHBondContact OE2-NZ 2.99Å
20R90.1Very high83.1Confident95 Ų9598.6 Ų98.636%0.35849%0.492SS..Hα-helixtrans-67.8-28.5176-168.3-164.2-64.5128.4-5.7113.3R16 D17 I18 R24R16-R20 WeakPolarHBondContact O-CB 3.3Å; R16-R20 PolarHBondContact O-N 3.19Å; D17-R20 PolarHBondContact O-N 2.81Å; D17-R20 IonicContact OD1-CZ 3.4Å; D17-R20 IonicContact OD1-NH1 2.71Å; D17-R20 PolarHBondContact OD1-NH1 2.97Å; I18-R20 PolarHBondContact O-N 2.99Å; R20-R24 WeakPolarHBondContact O-CG 3.35Å; R20-R24 PolarHBondContact O-N 3.05Å; R20-R24 PolarHBondContact O-NE 3.4Å
21R87.4Confident81.9Confident127 Ų12798.7 Ų98.748%0.47950%0.499SS..Hα-helixtrans-77.5-45.5170.9-81.5-174.6-102.4157.4-4.9111D17 I18 E19 R24 L25D17-R21 WeakPolarHBondContact O-CB 3.3Å; D17-R21 WeakPolarHBondContact O-CG 3.49Å; D17-R21 PolarHBondContact O-N 3.08Å; D17-R21 IonicContact OD2-CZ 3.46Å; D17-R21 IonicContact OD2-NE 2.76Å; D17-R21 PolarHBondContact OD2-NE 3.36Å; D17-R21 IonicContact OD2-NH2 2.66Å; D17-R21 PolarHBondContact OD2-NH2 3.17Å; I18-R21 PolarHBondContact O-N 3.29Å; E19-R21 PolarHBondContact O-N 2.92Å; R21-R24 PolarHBondContact O-N 3.29Å; R21-L25 WeakPolarHBondContact O-CG 3.09Å; R21-L25 PolarHBondContact O-N 2.76Å
22S86.4Confident80.3Confident71 Ų7198.6 Ų98.650%0.49750%0.501SS..Hα-helixtrans-57.5-50.1176.4-176.70000111.6I18 E19 R24 L25 H26I18-S22 VanDerWaalsContact O-CB 3.27Å; I18-S22 WeakPolarHBondContact O-CB 3.34Å; I18-S22 PolarHBondContact O-N 3.19Å; E19-S22 PolarHBondContact O-N 3.25Å; S22-R24 VanDerWaalsContact C-N 3.34Å; S22-R24 PolarHBondContact O-N 2.91Å; S22-L25 PolarHBondContact O-N 2.71Å; S22-H26 VanDerWaalsContact O-CB 3.27Å; S22-H26 WeakPolarHBondContact O-CB 3.4Å; S22-H26 PolarHBondContact O-N 3.36Å
23K83.8Confident78.5Confident111 Ų11199.2 Ų99.248%0.48350%0.504SS..Hα-helixtrans-58.2-41.9175.3-74.6172.5179.2169.60112.6E19 H26 C27E19-K23 HydrophobicContact CG-CD 4.32Å; E19-K23 WeakPolarHBondContact O-CB 3.35Å; E19-K23 WeakPolarHBondContact O-CG 3.29Å; E19-K23 PolarHBondContact O-N 3.17Å; E19-K23 VanDerWaalsContact OE1-CE 3.26Å; E19-K23 WeakPolarHBondContact OE1-CE 3.4Å; E19-K23 IonicContact OE1-NZ 2.68Å; E19-K23 PolarHBondContact OE1-NZ 2.98Å; E19-K23 WeakPolarHBondContact OE2-CE 3.43Å; E19-K23 IonicContact OE2-NZ 3.81Å; E19-K23 PolarHBondContact OE2-NZ 2.99Å; K23-H26 PolarHBondContact O-N 3.43Å; K23-C27 WeakPolarHBondContact O-CB 3.45Å; K23-C27 PolarHBondContact O-N 3.26Å; K23-C27 PolarHBondContact O-SG 3.18Å; K23-C27 VanDerWaalsContact O-SG 3.34Å
24R78.8Confident76.6Confident150 Ų150102 Ų10257%0.56652%0.517SS*.Hα-helixtrans-69.1-37.5177.1-77.1-176.9-73.9-170.84.5113.1R20 R21 S22 A28R20-R24 WeakPolarHBondContact O-CG 3.35Å; R20-R24 PolarHBondContact O-N 3.05Å; R20-R24 PolarHBondContact O-NE 3.4Å; R21-R24 PolarHBondContact O-N 3.29Å; S22-R24 VanDerWaalsContact C-N 3.34Å; S22-R24 PolarHBondContact O-N 2.91Å; R24-A28 WeakPolarHBondContact O-CB 3.42Å; R24-A28 PolarHBondContact O-N 3.46Å
25L79.4Confident74.4Confident118 Ų118103.8 Ų103.862%0.61853%0.527SS*.Hα-helixtrans-66.8-41.8172.2-70.7169.6000111.5R21 S22 A28 V29R21-L25 WeakPolarHBondContact O-CG 3.09Å; R21-L25 PolarHBondContact O-N 2.76Å; S22-L25 PolarHBondContact O-N 2.71Å; L25-A28 PolarHBondContact O-N 2.84Å; L25-V29 WeakPolarHBondContact O-CB 3.44Å; L25-V29 VanDerWaalsContact O-CG2 3.25Å; L25-V29 WeakPolarHBondContact O-CG2 3.48Å; L25-V29 PolarHBondContact O-N 2.8Å
26H77.7Confident72.1Confident120 Ų120108 Ų10856%0.55654%0.537SS*.Hα-helixtrans-61.6-45.6176.1-176.5-98.2000111.8S22 K23 V29 I30S22-H26 VanDerWaalsContact O-CB 3.27Å; S22-H26 WeakPolarHBondContact O-CB 3.4Å; S22-H26 PolarHBondContact O-N 3.36Å; K23-H26 PolarHBondContact O-N 3.43Å; H26-V29 PolarHBondContact O-N 3.45Å; H26-I30 WeakPolarHBondContact CE1-CD1 3.43Å; H26-I30 WeakPolarHBondContact O-CB 3.48Å; H26-I30 WeakPolarHBondContact O-CG1 3.48Å; H26-I30 PolarHBondContact O-N 3.18Å
27C69.6Low69.6Low47 Ų47103 Ų10332%0.31853%0.525SS..Hα-helixtrans-55.8-49.5170.5-79.50000112.4K23 I30 G31 C32K23-C27 WeakPolarHBondContact O-CB 3.45Å; K23-C27 PolarHBondContact O-N 3.26Å; K23-C27 PolarHBondContact O-SG 3.18Å; K23-C27 VanDerWaalsContact O-SG 3.34Å; C27-I30 PolarHBondContact O-N 2.73Å; C27-G31 PolarHBondContact O-N 3.39Å; C27-G31 VanDerWaalsContact O-N 3.12Å; C27-C32 CarbonylContact C-O 3.51Å; C27-C32 WeakPolarHBondContact CB-O 3.31Å; C27-C32 CarbonylContact O-C 2.83Å; C27-C32 PolarHBondContact O-N 2.97Å
28A68.8Low67.3Low63 Ų63106.3 Ų106.352%0.52155%0.55SS..Hα-helixtrans-64.5-39.5178.800000113.2R24 L25 G31R24-A28 WeakPolarHBondContact O-CB 3.42Å; R24-A28 PolarHBondContact O-N 3.46Å; L25-A28 PolarHBondContact O-N 2.84Å; A28-G31 PolarHBondContact O-N 3.45Å
29V70.5Confident64.9Low127 Ų127105.8 Ų105.877%0.7755%0.553SS**Hα-helixtrans-70-34.1178.8166.40000112.2L25 H26 G31L25-V29 WeakPolarHBondContact O-CB 3.44Å; L25-V29 VanDerWaalsContact O-CG2 3.25Å; L25-V29 WeakPolarHBondContact O-CG2 3.48Å; L25-V29 PolarHBondContact O-N 2.8Å; H26-V29 PolarHBondContact O-N 3.45Å; V29-G31 VanDerWaalsContact C-N 3.28Å
30I74.6Confident62.6Low101 Ų101106 Ų10652%0.51856%0.557SS.*Hα-helixtrans-80.5-11.3175.8-68.5177000111.8H26 C27 C32H26-I30 WeakPolarHBondContact CE1-CD1 3.43Å; H26-I30 WeakPolarHBondContact O-CB 3.48Å; H26-I30 WeakPolarHBondContact O-CG1 3.48Å; H26-I30 PolarHBondContact O-N 3.18Å; C27-I30 PolarHBondContact O-N 2.73Å; I30-C32 HydrophobicContact CG2-CB 4.29Å; I30-C32 PolarHBondContact O-N 3.43Å
31G51.6Low60.8Low62 Ų62107.9 Ų107.964%0.63957%0.571SS**THydrogen-bonded Turntrans77.31.3-173.600000113.8C27 A28 V29 E33C27-G31 PolarHBondContact O-N 3.39Å; C27-G31 VanDerWaalsContact O-N 3.12Å; A28-G31 PolarHBondContact O-N 3.45Å; V29-G31 VanDerWaalsContact C-N 3.28Å; G31-E33 PolarHBondContact O-N 2.86Å
32C48.7Very low59.1Low77 Ų77105.7 Ų105.752%0.5257%0.569SS.*  trans-79.469.5168.2-71.10000110.2C27 I30 E34C27-C32 CarbonylContact C-O 3.51Å; C27-C32 WeakPolarHBondContact CB-O 3.31Å; C27-C32 CarbonylContact O-C 2.83Å; C27-C32 PolarHBondContact O-N 2.97Å; I30-C32 HydrophobicContact CG2-CB 4.29Å; I30-C32 PolarHBondContact O-N 3.43Å; C32-E34 PolarHBondContact O-N 2.75Å
33E48Very low57.8Low125 Ų125106.7 Ų106.758%0.58457%0.569SS**  trans-55.3111.4148.4-91.9-96127.500106.3G31 E35 R36G31-E33 PolarHBondContact O-N 2.86Å; E33-E35 PolarHBondContact O-N 2.87Å; E33-R36 VanDerWaalsContact CD-NH1 3.28Å; E33-R36 IonicContact OE1-NH1 3.77Å; E33-R36 PolarHBondContact OE1-NH1 2.95Å; E33-R36 VanDerWaalsContact OE1-NH1 3.07Å; E33-R36 IonicContact OE2-CZ 3.17Å; E33-R36 IonicContact OE2-NH1 2.73Å; E33-R36 PolarHBondContact OE2-NH1 3.04Å
34E46.7Very low56.5Low175 Ų175107.3 Ų107.382%0.81858%0.576SS**  trans-50124.8169179.6176.8-173.300107.7C32 R36C32-E34 PolarHBondContact O-N 2.75Å; E34-R36 PolarHBondContact O-N 3.06Å
35E43.9Very low54.9Low162 Ų162108.4 Ų108.476%0.75758%0.582SS**  trans-59.1103.5-162.1-165.2-155.4-116.700110.5E33 S37E33-E35 PolarHBondContact O-N 2.87Å; E35-S37 PolarHBondContact O-N 2.94Å; E35-S37 WeakPolarHBondContact OE2-CA 3.26Å
36R44Very low53.7Low178 Ų178108.8 Ų108.867%0.67258%0.575SS**  trans-6388.4163.1-80.5-176.1166.8108.8-4.3106.8E33 E34 C38E33-R36 VanDerWaalsContact CD-NH1 3.28Å; E33-R36 IonicContact OE1-NH1 3.77Å; E33-R36 PolarHBondContact OE1-NH1 2.95Å; E33-R36 VanDerWaalsContact OE1-NH1 3.07Å; E33-R36 IonicContact OE2-CZ 3.17Å; E33-R36 IonicContact OE2-NH1 2.73Å; E33-R36 PolarHBondContact OE2-NH1 3.04Å; E34-R36 PolarHBondContact O-N 3.06Å; R36-C38 PolarHBondContact O-N 3.07Å
37S37.2Very low52.5Low48 Ų48110.3 Ų110.334%0.33658%0.58SS.*  trans-48139.8-171.574.80000110.1E35 S39 D40E35-S37 PolarHBondContact O-N 2.94Å; E35-S37 WeakPolarHBondContact OE2-CA 3.26Å; S37-S39 PolarHBondContact O-N 2.97Å; S37-S39 PolarHBondContact OG-OG 2.95Å; S37-D40 PolarHBondContact O-N 2.86Å
38C41Very low51.7Low104 Ų104111.1 Ų111.170%0.70359%0.586SS**Hα-helixtrans-55.1-13.7-172.7-168.80000113.7R36 N42R36-C38 PolarHBondContact O-N 3.07Å; C38-N42 VanDerWaalsContact O-CB 3.3Å; C38-N42 WeakPolarHBondContact O-CB 3.31Å; C38-N42 PolarHBondContact O-N 3.39Å
39S42.1Very low50.6Low64 Ų64116.8 Ų116.845%0.44859%0.594SS.*Hα-helixtrans-58.7-39.7172.276.30000115S37 N42 L43S37-S39 PolarHBondContact O-N 2.97Å; S37-S39 PolarHBondContact OG-OG 2.95Å; S39-N42 CarbonylContact O-C 3.54Å; S39-N42 WeakPolarHBondContact O-CB 3.48Å; S39-N42 PolarHBondContact O-N 3.34Å; S39-L43 PolarHBondContact O-N 2.93Å
40D45.2Very low49.7Very low100 Ų100116.3 Ų116.354%0.53559%0.587SS.*Hα-helixtrans-77.8-44.5-171.1-102-16.7000112.7S37 N42 L43 L44S37-D40 PolarHBondContact O-N 2.86Å; D40-N42 PolarHBondContact O-N 3.01Å; D40-L43 WeakPolarHBondContact O-CA 3.43Å; D40-L43 VanDerWaalsContact O-CB 3.32Å; D40-L43 WeakPolarHBondContact O-CB 3.32Å; D40-L43 PolarHBondContact O-N 2.82Å; D40-L44 PolarHBondContact O-N 3.22Å
41M51.1Low48.3Very low135 Ų135116 Ų11667%0.66559%0.586SS**Hα-helixtrans-56.2-38.9169-83.1-67.6-71.400111L43 Y45M41-L43 VanDerWaalsContact C-N 3.33Å; M41-Y45 WeakPolarHBondContact O-CB 3.4Å; M41-Y45 PolarHBondContact O-N 3.44Å; M41-Y45 VanDerWaalsContact O-N 3.07Å
42N52Low47.7Very low82 Ų82121.5 Ų121.544%0.43959%0.588SS.*Hα-helixtrans-70.4-28.2175.3-160.9-49.9000112.2C38 S39 D40 R46C38-N42 VanDerWaalsContact O-CB 3.3Å; C38-N42 WeakPolarHBondContact O-CB 3.31Å; C38-N42 PolarHBondContact O-N 3.39Å; S39-N42 CarbonylContact O-C 3.54Å; S39-N42 WeakPolarHBondContact O-CB 3.48Å; S39-N42 PolarHBondContact O-N 3.34Å; D40-N42 PolarHBondContact O-N 3.01Å; N42-R46 VanDerWaalsContact O-CB 3.31Å; N42-R46 WeakPolarHBondContact O-CB 3.33Å; N42-R46 VanDerWaalsContact O-CG 3.26Å; N42-R46 WeakPolarHBondContact O-CG 3.14Å; N42-R46 PolarHBondContact O-N 3.45Å; N42-R46 PolarHBondContact O-NE 2.93Å; N42-R46 PolarHBondContact OD1-NE 2.85Å
43L59.8Low47.5Very low91 Ų91127.2 Ų127.248%0.47660%0.598SS.*Hα-helixtrans-72.1-41.2175.3-154.272.4000111.6S39 D40 M41 R46 K47S39-L43 PolarHBondContact O-N 2.93Å; D40-L43 WeakPolarHBondContact O-CA 3.43Å; D40-L43 VanDerWaalsContact O-CB 3.32Å; D40-L43 WeakPolarHBondContact O-CB 3.32Å; D40-L43 PolarHBondContact O-N 2.82Å; M41-L43 VanDerWaalsContact C-N 3.33Å; L43-R46 PolarHBondContact O-N 3.47Å; L43-K47 WeakPolarHBondContact O-CB 3.29Å; L43-K47 PolarHBondContact O-N 3.28Å
44L55Low46.8Very low124 Ų124127.9 Ų127.965%0.64960%0.601SS**Hα-helixtrans-62.4-45.4172.3-132.273000111.3D40 R46 K47 S48D40-L44 PolarHBondContact O-N 3.22Å; L44-R46 PolarHBondContact O-N 3.48Å; L44-K47 PolarHBondContact O-N 2.85Å; L44-S48 PolarHBondContact O-N 3.45Å
45Y46.6Very low46.4Very low174 Ų174128.1 Ų128.168%0.68260%0.595SS**Hα-helixtrans-63.9-37.9177.5-136.3-92000112.6M41 R49M41-Y45 WeakPolarHBondContact O-CB 3.4Å; M41-Y45 PolarHBondContact O-N 3.44Å; M41-Y45 VanDerWaalsContact O-N 3.07Å; Y45-R49 WeakPolarHBondContact O-CB 3.31Å; Y45-R49 PolarHBondContact O-N 3.02Å
46R53.8Low46.3Very low125 Ų125128.4 Ų128.447%0.47260%0.596SS.*Hα-helixtrans-67.9-42.3173.6-80.3177.6-73.9168.8-1.3112.4N42 L43 L44 R49 L50N42-R46 VanDerWaalsContact O-CB 3.31Å; N42-R46 WeakPolarHBondContact O-CB 3.33Å; N42-R46 VanDerWaalsContact O-CG 3.26Å; N42-R46 WeakPolarHBondContact O-CG 3.14Å; N42-R46 PolarHBondContact O-N 3.45Å; N42-R46 PolarHBondContact O-NE 2.93Å; N42-R46 PolarHBondContact OD1-NE 2.85Å; L43-R46 PolarHBondContact O-N 3.47Å; L44-R46 PolarHBondContact O-N 3.48Å; R46-R49 WeakPolarHBondContact O-CB 3.27Å; R46-R49 PolarHBondContact O-N 3.37Å; R46-L50 PolarHBondContact O-N 3.35Å
47K52.2Low46Very low153 Ų153128.1 Ų128.167%0.66560%0.602SS**Hα-helixtrans-66.9-41.8179.6-170.6148.461.8177.40112L43 L44 R49 L50L43-K47 WeakPolarHBondContact O-CB 3.29Å; L43-K47 PolarHBondContact O-N 3.28Å; L44-K47 PolarHBondContact O-N 2.85Å; K47-R49 VanDerWaalsContact C-N 3.33Å; K47-R49 PolarHBondContact O-N 3.29Å; K47-L50 PolarHBondContact O-N 2.75Å
48S52.6Low45.9Very low64 Ų64134.1 Ų134.145%0.44863%0.625SS.*Hα-helixtrans-59.9-41.3171.6-1800000112.3L44 L50 D51 W52L44-S48 PolarHBondContact O-N 3.45Å; S48-L50 PolarHBondContact O-N 3.04Å; S48-D51 PolarHBondContact O-N 2.81Å; S48-W52 PolarHBondContact O-N 2.75Å
49R46.9Very low45.9Very low181 Ų181132.7 Ų132.768%0.68363%0.628SS**Hα-helixtrans-62.3-20.8178.1-106-169178.6-169.23.5115.5Y45 R46 K47Y45-R49 WeakPolarHBondContact O-CB 3.31Å; Y45-R49 PolarHBondContact O-N 3.02Å; R46-R49 WeakPolarHBondContact O-CB 3.27Å; R46-R49 PolarHBondContact O-N 3.37Å; K47-R49 VanDerWaalsContact C-N 3.33Å; K47-R49 PolarHBondContact O-N 3.29Å
50L50Low45.6Very low118 Ų118134.7 Ų134.762%0.61864%0.642SS**Hα-helixtrans-82-42.2178.6-69.6169.6000111.3R46 K47 S48 W52 R53 Q54R46-L50 PolarHBondContact O-N 3.35Å; K47-L50 PolarHBondContact O-N 2.75Å; S48-L50 PolarHBondContact O-N 3.04Å; L50-W52 VanDerWaalsContact C-N 3.33Å; L50-W52 PolarHBondContact O-N 3.06Å; L50-R53 WeakPolarHBondContact O-CB 3.47Å; L50-R53 PolarHBondContact O-N 2.96Å; L50-Q54 PolarHBondContact O-N 3.07Å; L50-Q54 VanDerWaalsContact O-N 3.14Å
51D46.6Very low45.7Very low94 Ų94139.5 Ų139.550%0.50366%0.658SS.*Hα-helixtrans-57.2-45.1176.6-17071.8000111.9S48 R53 Q54 R55S48-D51 PolarHBondContact O-N 2.81Å; D51-R53 PolarHBondContact O-N 2.68Å; D51-R53 VanDerWaalsContact O-N 3.14Å; D51-Q54 PolarHBondContact O-N 3.03Å; D51-Q54 VanDerWaalsContact O-N 3.09Å; D51-R55 PolarHBondContact O-N 3.31Å
52W37.5Very low44.9Very low177 Ų177142.8 Ų142.867%0.6767%0.669SS**Hα-helixtrans-58.1-25.8173.6-76.5111000114.5S48 L50S48-W52 PolarHBondContact O-N 2.75Å; L50-W52 VanDerWaalsContact C-N 3.33Å; L50-W52 PolarHBondContact O-N 3.06Å
53R44.3Very low44Very low197 Ų197144.3 Ų144.374%0.74369%0.686SS**Hα-helixtrans-87.5-26.7176.7-73.1-169.4167.8-73.82.2113.3L50 D51L50-R53 WeakPolarHBondContact O-CB 3.47Å; L50-R53 PolarHBondContact O-N 2.96Å; D51-R53 PolarHBondContact O-N 2.68Å; D51-R53 VanDerWaalsContact O-N 3.14Å
54Q34.7Very low42.4Very low139 Ų139145.8 Ų145.865%0.6570%0.704SS**Hα-helixtrans-71.6-41.6178.8-170.2164.2-13.100110.8L50 D51 E56 Q57L50-Q54 PolarHBondContact O-N 3.07Å; L50-Q54 VanDerWaalsContact O-N 3.14Å; D51-Q54 PolarHBondContact O-N 3.03Å; D51-Q54 VanDerWaalsContact O-N 3.09Å; Q54-E56 VanDerWaalsContact C-N 3.29Å; Q54-E56 PolarHBondContact O-N 3.21Å; Q54-Q57 PolarHBondContact O-N 2.88Å; Q54-Q57 VanDerWaalsContact O-N 3.15Å
55R37.4Very low41.1Very low180 Ų180145.5 Ų145.568%0.67971%0.712SS**Hα-helixtrans-61.2-28.4179.7-173.3170.7-65.8-79.4-3.2114.9D51D51-R55 PolarHBondContact O-N 3.31Å
56E41.4Very low40.5Very low169 Ų169146.3 Ų146.379%0.7972%0.722SS**Hα-helixtrans-77.5-23177.4-71.9-128.4122.900113.6Q54Q54-E56 VanDerWaalsContact C-N 3.29Å; Q54-E56 PolarHBondContact O-N 3.21Å
57Q39.2Very low39.5Very low171 Ų171147.3 Ų147.380%0.79974%0.737SS**Hα-helixtrans-84.3-21.8-169.7-156175.5110.900114Q54 G59Q54-Q57 PolarHBondContact O-N 2.88Å; Q54-Q57 VanDerWaalsContact O-N 3.15Å; Q57-G59 VanDerWaalsContact C-N 3.35Å
58E34.8Very low38.5Very low175 Ų175147.1 Ų147.182%0.81874%0.743SS**THydrogen-bonded Turntrans-77.3-19.1175.3-66.6-170.4127.200113.3S60E58-S60 VanDerWaalsContact C-N 3.32Å; E58-S60 PolarHBondContact O-N 3.36Å
59G40.6Very low38.2Very low73 Ų73149.7 Ų149.775%0.75376%0.758SS**THydrogen-bonded Turntrans-75-5.9-169.900000116.9Q57Q57-G59 VanDerWaalsContact C-N 3.35Å
60S36.7Very low37.4Very low107 Ų107147 Ų14775%0.74877%0.767SS**  trans-127.255.4-164-158.90000114.7E58E58-S60 VanDerWaalsContact C-N 3.32Å; E58-S60 PolarHBondContact O-N 3.36Å
61K45.5Very low36.6Very low201 Ų201145 Ų14587%0.87477%0.768SS**  trans-145.967.1170.8-71.1-168.2179.71760114.3
62K35.8Very low36Very low203 Ų203146.8 Ų146.888%0.88378%0.782SS**  trans-157.1150.6155.2-133169-176.4176.50115
63S32.2Very low35.7Very low115 Ų115145.5 Ų145.580%0.80479%0.794SS**  trans52.6104.3162.5550000119.5
64S25.7Very low35.3Very low121 Ų121139.6 Ų139.685%0.84679%0.794SS**  trans-152.4111.4142.2-177.10000109.8
65S28.8Very low35.4Very low119 Ų119142.8 Ų142.883%0.83281%0.806SS**  trans178.298162.448.70000110.5
66Q33.7Very low35.3Very low190 Ų190139.9 Ų139.989%0.88881%0.808SS**  trans-149.5139.3158.8-172.8169.6-6.800107.2
67N32.6Very low34.9Very low146 Ų146141.9 Ų141.978%0.78181%0.808SS**  trans-99.2136.6-166.3-49.7-58.3000112.3
68D30.7Very low34.8Very low149 Ų149139.4 Ų139.480%0.79780%0.801SS**  38.2156.8128.1-71.1-15.9000123.1
69P47.7Very low35Very low118 Ų118139.1 Ų139.177%0.76680%0.804SS**  cis-138.5-176.2-15.332.8-11.7000115.7
70S29.3Very low34.8Very low124 Ų124140.1 Ų140.187%0.86781%0.805SS**  trans113.4163.1150.2-154.20000118.2
71A33.6Very low35.1Very low78 Ų78139 Ų13965%0.64580%0.797SS**  trans71.479176.400000119.8
72T33.1Very low34.8Very low130 Ų130137.9 Ų137.980%0.79879%0.792SS**  trans56117.4130.554.40000123.2
73V32.7Very low35.2Very low151 Ų151138.6 Ų138.692%0.91579%0.79SS**  trans70.8134.1140.5-177.70000119.4
74G34.4Very low36.1Very low72 Ų72144.5 Ų144.574%0.74279%0.794SS**  trans120.359.4150.700000119.8
75K36.7Very low36.9Very low206 Ų206144.3 Ų144.390%0.89678%0.78SS**  trans-59.4149.7159.5-85.3177-174.4173.20110.7
76V36.9Very low37.4Very low119 Ų119147.2 Ų147.272%0.72178%0.777SS**  cis-168152.30.582.70000111.2
77R32.1Very low37.9Very low211 Ų211149.7 Ų149.780%0.79678%0.779SS**  trans63.9150.2145.2-150.8161.1-169.4133.46.9118.9
78D38.2Very low38.5Very low120 Ų120150.5 Ų150.564%0.64278%0.78SS**  cis-137.9157.212.9-142.5-23.5000113.4
79L37.8Very low39.1Very low169 Ų169145.7 Ų145.789%0.88577%0.766SS**  trans-11183.2178.1-178.462.7000110.6
80A37.6Very low38.7Very low94 Ų94149 Ų14978%0.77777%0.768SS**  trans-141.154.7-176.100000113.3
81S41.8Very low39.1Very low83 Ų83151.3 Ų151.358%0.5877%0.767SS**  trans-127.2143.5167.7-167.90000111.1
82F39.8Very low39.8Very low178 Ų178153.1 Ų153.178%0.78177%0.77SS**  trans60.5114.6-170.4-44.5-78.2000111.9
83R43.2Very low40.7Very low218 Ų218154.2 Ų154.282%0.82377%0.768SS**  -139.491.864-78.6179.4156.4-123.3-6.1113.2H85R83-H85 WeakPolarHBondContact CB-ND1 3.34Å; R83-H85 PolarHBondContact O-N 3.21Å
84R52.4Low41.3Very low239 Ų239152.1 Ų152.190%0.90276%0.758SS**  trans-74.4108.2154.5-83.9-175.6-82145.9-7108.2
85H42.1Very low41.3Very low116 Ų116153.2 Ų153.254%0.53776%0.76SS.*  trans-134.4128.3175.7-75.785.8000111.3R83R83-H85 WeakPolarHBondContact CB-ND1 3.34Å; R83-H85 PolarHBondContact O-N 3.21Å
86F39.3Very low41.3Very low180 Ų180148.6 Ų148.679%0.78975%0.753SS**  trans3986.1164.7-57.7-72.2000118.3M88F86-M88 VanDerWaalsContact C-N 3.26Å; F86-M88 PolarHBondContact O-N 2.9Å
87R43.2Very low41.7Very low243 Ų243152.3 Ų152.392%0.91776%0.763SS**  trans-64.891.3146.1172.4-177.1153.7-129.4-3.4107.8G89R87-G89 PolarHBondContact O-N 2.8Å
88M46.3Very low41.7Very low163 Ų163149.2 Ų149.280%0.80376%0.762SS**  trans-61.1128.8165.3-160.965.273.600107.9F86 F90F86-M88 VanDerWaalsContact C-N 3.26Å; F86-M88 PolarHBondContact O-N 2.9Å; M88-F90 PolarHBondContact O-N 3.4Å
89G43.5Very low41.7Very low48 Ų48151.7 Ų151.750%0.49578%0.775SS.*  trans-68.9122.7-179.800000110.5R87 M91R87-G89 PolarHBondContact O-N 2.8Å; G89-M91 PolarHBondContact O-N 2.77Å
90F38.5Very low41.4Very low188 Ų188149.1 Ų149.183%0.82577%0.771SS**  trans-66.8104.2167.7-172.2-88.8000108.1M88 T92M88-F90 PolarHBondContact O-N 3.4Å; F90-T92 PolarHBondContact O-N 2.84Å
91M38Very low42Very low171 Ų171149.4 Ų149.484%0.84276%0.764SS**  trans-75.294.9175.3-67.1-143.17300109G89 M93G89-M91 PolarHBondContact O-N 2.77Å; M91-M93 PolarHBondContact O-N 3.37Å
92T48.7Very low41.6Very low116 Ų116154.6 Ų154.671%0.71278%0.779SS**  trans-64.9100.8172.3-53.10000109.2F90F90-T92 PolarHBondContact O-N 2.84Å
93M51.6Low41.5Very low154 Ų154152.3 Ų152.376%0.75978%0.78SS**PPolyproline II helixtrans-54.2136.7170.4-71-66.4-7200110.2M91 A95M91-M93 PolarHBondContact O-N 3.37Å; M93-A95 PolarHBondContact O-N 2.74Å
94P45.3Very low41Very low106 Ų106147.6 Ų147.669%0.68878%0.779SS**PPolyproline II helixtrans-60.2124.8165.6-18.631.7000109.1
95A33.4Very low40.1Very low95 Ų95140.6 Ų140.679%0.78577%0.772SS**PPolyproline II helixtrans-66.2136.5177.900000111M93 Q97M93-A95 PolarHBondContact O-N 2.74Å; A95-Q97 PolarHBondContact O-N 2.8Å
96S37.9Very low39.4Very low109 Ų109140.6 Ų140.676%0.76279%0.785SS**  trans-62.7115.1177.5-42.90000110.8D98S96-D98 PolarHBondContact O-N 2.66Å
97Q44.8Very low39.2Very low197 Ų197136.1 Ų136.192%0.92178%0.782SS**  trans-90.684.5161.1-76.9-170.2-34.300108.9A95A95-Q97 PolarHBondContact O-N 2.8Å
98D31.9Very low39.1Very low147 Ų147133.1 Ų133.179%0.78678%0.78SS**  trans-100.3108.4164.9-85.6-55.8000110.1S96S96-D98 PolarHBondContact O-N 2.66Å
99L37.4Very low38.4Very low172 Ų172130.2 Ų130.290%0.90178%0.782SS**  trans-115.2108.6159.5-74.3175000107.2
100S33Very low38.3Very low115 Ų115133.6 Ų133.680%0.80480%0.795SS**  trans-69.1145.8171.8-166.90000110.1
101P49.3Very low38.3Very low99 Ų99135.9 Ų135.964%0.64380%0.799SS**  trans-88.9158.7-163.134.7-36.4000114.8
102H34.8Very low38.2Very low192 Ų192133.3 Ų133.389%0.88980%0.797SS**  trans-115142.1152-68.8-23.2000109
103T35.8Very low37.7Very low130 Ų130136.7 Ų136.780%0.79881%0.805SS**  trans-86.4158.6-162.8-490000112.9
104C34Very low36.8Very low119 Ų119135.3 Ų135.380%0.80481%0.81SS**  trans-40.8162.6178-46.90000115.6
105A32.4Very low36.4Very low92 Ų92135.1 Ų135.176%0.7681%0.811SS**  cis-162.7179.228.600000115.3
106S29.1Very low36.7Very low116 Ų116140 Ų14081%0.81182%0.817SS**  trans93.5122.5149.8-147.50000120.7
107A34.8Very low36.6Very low86 Ų86138.7 Ų138.771%0.71181%0.813SS**  trans44.6126.1141.800000122.9
108M39.3Very low36Very low181 Ų181136.6 Ų136.689%0.89281%0.813SS**  trans38.992.5134.8-64.5-64.2177.900118.1P110M108-P110 VanDerWaalsContact O-CD 3.3Å; M108-P110 WeakPolarHBondContact O-CD 3.3Å
109A33.3Very low36Very low102 Ų102133.7 Ų133.784%0.84382%0.818SS**PPolyproline II helixtrans-72.5116.5159.600000110
110P39.8Very low36Very low118 Ų118130.8 Ų130.877%0.76682%0.819SS**PPolyproline II helixtrans-70.4146.3176.629.6-34.4000110.8M108 S112M108-P110 VanDerWaalsContact O-CD 3.3Å; M108-P110 WeakPolarHBondContact O-CD 3.3Å; P110-S112 PolarHBondContact O-N 2.66Å
111R39.1Very low36Very low237 Ų237129.1 Ų129.189%0.89482%0.819SS**PPolyproline II helixtrans-62.5119.4164.1-87.7177.3150.582.2-4.2108.2Q113R111-Q113 PolarHBondContact O-N 3.18Å
112S36.6Very low35.4Very low117 Ų117132 Ų13282%0.81883%0.83SS**  trans-63.6101.9176.855.80000110.8P110P110-S112 PolarHBondContact O-N 2.66Å
113Q36.8Very low35.6Very low186 Ų186131.3 Ų131.387%0.86983%0.829SS**  trans-72141158.1-64.1-1706.900108.5R111R111-Q113 PolarHBondContact O-N 3.18Å
114S33.5Very low35.5Very low125 Ų125130.2 Ų130.287%0.87483%0.826SS**  trans-138.7143.8169.3-173.20000107.8
115C37.6Very low35.7Very low103 Ų103131.1 Ų131.170%0.69682%0.823SS**  trans-112.7143.6-136.9-53.30000114.8
116H38.8Very low35.8Very low196 Ų196134 Ų13491%0.90782%0.82SS**  trans-136140.5153.3-57.4-30.9000108.5
117A36.2Very low36.2Very low83 Ų83135.4 Ų135.469%0.68682%0.819SS**  cis-161.1145-29.500000107.5
118V33.4Very low36.1Very low153 Ų153135 Ų13593%0.92782%0.823SS**  trans33.5125.5164.1-66.10000120.8
119G31.6Very low36Very low85 Ų85134 Ų13488%0.87682%0.821SS**  trans-170.297.9164.500000109.5
120A36.9Very low35.9Very low112 Ų112140.2 Ų140.293%0.92682%0.824SS**  trans-115.9142.8178.800000109.8
121G33.8Very low35.7Very low79 Ų79139.8 Ų139.881%0.81482%0.824SS**  trans178.7133.1177.200000108.2
122D35.9Very low35.3Very low161 Ų161135.2 Ų135.286%0.86182%0.818SS**  trans-97.7-161.1176.659.349.3000111.2
123M38.9Very low35.2Very low177 Ų177135.1 Ų135.187%0.87281%0.812SS**  trans-115.1124.3-174.2-62.5160.349.300110.1
124S33.9Very low35Very low106 Ų106135 Ų13574%0.74181%0.811SS**  -179.3166.4127.1-143.20000114
125L38.6Very low35Very low139 Ų139133.9 Ų133.973%0.72880%0.804SS**  trans62.4108152.5-71.8156000120.5
126E34.8Very low34.8Very low151 Ų151136.7 Ų136.771%0.70681%0.806SS**  74.5125.1110.4-160.9176.3164.200122.1
127N36.8Very low34.4Very low147 Ų147136.4 Ų136.479%0.78681%0.805SS**  trans36.3123.3152.1-57.4-33.2000121.3
128G32.6Very low34.2Very low77 Ų77135.2 Ų135.279%0.79480%0.801SS**  trans163.4119.1156.900000113.6
129D38.1Very low34.3Very low160 Ų160131.5 Ų131.586%0.85679%0.794SS**  trans-65.5141.8171.7-60.4-85.7000111.9
130Y31.1Very low34.7Very low232 Ų232139.3 Ų139.391%0.9180%0.797SS**  -173.9150.2122.7-119.3-100.6000110.5
131S35.5Very low35.3Very low109 Ų109139.3 Ų139.376%0.76279%0.789SS**  trans-112.1138.5-175.8-570000112.3
132D29.4Very low36.1Very low142 Ų142141.1 Ų141.176%0.75979%0.786SS**  154.3149.894-161.514.4000113.9
133T36Very low36.8Very low114 Ų114139.7 Ų139.770%0.69979%0.786SS**  trans69.6150.1167.673.90000121.1
134Q31.7Very low37.2Very low184 Ų184135.7 Ų135.786%0.8678%0.781SS**  trans70.593.3156.6-162.9178.229.400119.8
135S32.9Very low37.9Very low102 Ų102140.1 Ų140.171%0.71379%0.787SS**  177.5131.8121.8430000116.4
136Q34.2Very low38.8Very low161 Ų161139.5 Ų139.575%0.75279%0.791SS**  trans62.8164.8152.5-57.9-50.7-35.600117.2
137H31.1Very low39.8Very low190 Ų190141.8 Ų141.888%0.8880%0.799SS**  cis-131.8154.618.6-55.2-98.5000114.4
138G31.1Very low40.5Very low58 Ų58145 Ų14560%0.59880%0.8SS**  trans-162.7108.1169.600000112.8R140G138-R140 PolarHBondContact O-N 2.94Å
139G35.2Very low41Very low76 Ų76147.7 Ų147.778%0.78479%0.792SS**  trans-65.8124.7176.400000111.8C141G139-C141 PolarHBondContact O-N 2.67Å; G139-C141 VanDerWaalsContact O-N 3.16Å
140R41Very low41.7Very low249 Ų249146.3 Ų146.394%0.9479%0.791SS**  trans-74.6108.2-175.3-68.7-175.8-178.5-97.2-0.1111.5G138G138-R140 PolarHBondContact O-N 2.94Å
141C48.4Very low42.2Very low112 Ų112139.4 Ų139.476%0.75778%0.777SS**PPolyproline II helixtrans-62.6158.5170.2-69.50000112.1G139G139-C141 PolarHBondContact O-N 2.67Å; G139-C141 VanDerWaalsContact O-N 3.16Å
142P51.9Low42.5Very low117 Ų117139 Ų13976%0.7677%0.77SS**PPolyproline II helixtrans-60148.116927.5-35.5000110.9A144P142-A144 PolarHBondContact O-N 2.88Å
143P49.5Very low43.1Very low131 Ų131142.7 Ų142.785%0.85177%0.773SS**PPolyproline II helixtrans-63.8127.6-176.925.7-34.1000111.4
144A46.7Very low43Very low93 Ų93146 Ų14677%0.76979%0.786SS**PPolyproline II helixtrans-63.1146.4176.100000111.4P142P142-A144 PolarHBondContact O-N 2.88Å
145K49.4Very low43.1Very low198 Ų198142 Ų14286%0.86178%0.778SS**PPolyproline II helixtrans-60133.5174.1-66.1170.6-177.21680109.3K147K145-K147 PolarHBondContact O-N 3.06Å
146P57.3Low42.9Very low127 Ų127142.6 Ų142.683%0.82578%0.782SS**PPolyproline II helixtrans-60.6122.5-178.523.2-33000110.9R148P146-R148 PolarHBondContact O-N 3.33Å
147K55Low42.8Very low199 Ų199140.1 Ų140.187%0.86578%0.783SS**  trans-73.7108.5-174.9-165.6170.6-175.8175.70109.4K145 H149K145-K147 PolarHBondContact O-N 3.06Å; K147-H149 PolarHBondContact O-N 3.41Å
148R51.6Low42.8Very low215 Ų215136.4 Ų136.481%0.81178%0.778SS**  trans-58.3122.6174.3-93.6-174.5168.8-123.72.5109.8P146P146-R148 PolarHBondContact O-N 3.33Å
149H44.9Very low42.8Very low133 Ų133138.1 Ų138.162%0.61679%0.787SS**  trans-67.8143.7170.4-109.7-107.1000110.8K147 S151K147-H149 PolarHBondContact O-N 3.41Å; H149-S151 PolarHBondContact O-N 2.77Å; H149-S151 VanDerWaalsContact O-N 3.14Å
150P52.1Low42.7Very low131 Ų131141.5 Ų141.585%0.85179%0.787SS**THydrogen-bonded Turntrans-72-1.1178.930.6-36000113.8
151S41.9Very low42.3Very low86 Ų86135 Ų13560%0.60178%0.78SS**THydrogen-bonded Turntrans-94.110.5-175.750.50000115H149 R153H149-S151 PolarHBondContact O-N 2.77Å; H149-S151 VanDerWaalsContact O-N 3.14Å; S151-R153 PolarHBondContact O-N 3.23Å
152T41.7Very low41.8Very low102 Ų102141 Ų14163%0.62679%0.787SS**  trans-76.159.4173.254.70000112.7
153R40.6Very low40.8Very low219 Ų219139 Ų13983%0.82679%0.786SS**  trans-85.9115.6159.7-87.5-175.5162.4-124.2-0.4108.5S151 S155S151-R153 PolarHBondContact O-N 3.23Å; R153-S155 PolarHBondContact O-N 3.41Å
154L34.5Very low41Very low183 Ų183138.7 Ų138.796%0.95879%0.785SS**  trans-74.8118.1163.5-67.2172.9000108.2
155S34.3Very low41.5Very low99 Ų99139.7 Ų139.769%0.69278%0.783SS**  trans-145.9112.9173.4-740000108.5R153R153-S155 PolarHBondContact O-N 3.41Å
156S29.1Very low40.5Very low116 Ų116139 Ų13981%0.81178%0.783SS**  trans-84.6136.5173.1-50.40000110.2
157S31.1Very low39.2Very low108 Ų108139 Ų13976%0.75578%0.781SS**  trans24.3138.6145.258.80000120.6
158S31.7Very low39.1Very low113 Ų113135 Ų13579%0.7978%0.775SS**  cis-180-171-2.648.10000108.6
159A31.4Very low39.3Very low93 Ų93130 Ų13077%0.76977%0.771SS**  trans77.9104.1169.300000116.4
160D32.6Very low39.6Very low147 Ų147128.7 Ų128.779%0.78677%0.774SS**  trans-68.3160.8158.3-174.915.8000110.2
161S32.2Very low38.5Very low114 Ų114127.9 Ų127.980%0.79777%0.771SS**  trans-158.2122.7174-76.80000111.8
162R37.3Very low37.8Very low238 Ų238129.1 Ų129.190%0.89878%0.78SS**  trans-95.6136.5-178.7-57.9-168.1-61.8168.5-0.8112.1
163G31.4Very low37.3Very low73 Ų73129.5 Ų129.575%0.75379%0.787SS**  trans90.2132.7150.800000117.6
164P54.8Low36.7Very low126 Ų126125 Ų12582%0.81879%0.789SS**  trans-97-168.6161.243.2-35.9000109.9
165P57.4Low36.6Very low113 Ų113125.4 Ų125.473%0.73479%0.785SS**  cis-128.7179-6.840.1-23.4000114.6
166E27.2Very low36.4Very low184 Ų184126.2 Ų126.286%0.8679%0.791SS**  163.8166.3125.1-84-146.6120.800113.2
167T30.8Very low36.6Very low128 Ų128129.4 Ų129.479%0.78579%0.793SS**  trans-148.5-178.6-173.455.60000109.3
168P53.5Low36.5Very low114 Ų114127.9 Ų127.974%0.7480%0.795SS**  cis-123.1-120.5-24.535.2-14.3000109.9
169P55.3Low36.8Very low110 Ų110131.8 Ų131.871%0.71480%0.797SS**  -116.8-146.7-60.638.4-19.6000111.7
170P50.8Low36.9Very low106 Ų106136.3 Ų136.369%0.68880%0.802SS**  -126.3-173.1-52.228.8-7.4000115.5
171S28.6Very low36.9Very low113 Ų113134.6 Ų134.679%0.7980%0.802SS**  trans73.2156.6149.281.40000120.6
172S27.8Very low36.8Very low113 Ų113136.4 Ų136.479%0.7980%0.798SS**  cis-161172.8-22.243.70000113.4
173S30.1Very low36.9Very low110 Ų110133.4 Ų133.477%0.76979%0.791SS**  trans-59.2159.2-175.454.50000121.2
174S29Very low37.4Very low123 Ų123138.5 Ų138.586%0.8679%0.793SS**  trans-167.7168.1135.749.60000115.1
175H31.4Very low36.2Very low192 Ų192139.4 Ų139.489%0.88979%0.79SS**  trans-76.2-179.9-176-65.5-89000114
176S31.6Very low35Very low117 Ų117139.8 Ų139.882%0.81880%0.796SS**  cis-156.2-159.824.965.50000114.1
177Q32.1Very low35.2Very low183 Ų183139.5 Ų139.586%0.85580%0.796SS**  trans-115.9151.1-167.5-67.5-158.84.600116.7
178G30.7Very low35.3Very low76 Ų76142.3 Ų142.378%0.78480%0.798SS**  trans-167.5145.8162.400000109.6
179K36.9Very low34.6Very low194 Ų194145.7 Ų145.784%0.84380%0.801SS**  trans-110.6140.4-164.4-75-173.9178.4177.50116.2
180H33.6Very low34Very low189 Ų189145.2 Ų145.288%0.87580%0.8SS**  trans83.394.1143.2-165.1-76.3000120.4
181S31.7Very low33.2Very low111 Ų111147.5 Ų147.578%0.77681%0.807SS**  trans-155.4160.6158.159.70000114
182E31.8Very low33.2Very low152 Ų152147.8 Ų147.871%0.7181%0.808SS**  trans40.2113.9157.6-74.2-157.1105.300124.5
183K37.5Very low33.6Very low175 Ų175145.7 Ų145.776%0.76181%0.805SS**  64.6117.4105.4-155.5-177.8-171.6178.70120.9
184K41.9Very low33.7Very low180 Ų180149.1 Ų149.178%0.78381%0.809SS**  trans89.2148.9145.7-140.3-166.4175.9179.80119.3
185N30.7Very low34.1Very low144 Ų144150.3 Ų150.377%0.7780%0.804SS**  trans66.8139.5164.9-71.1-0.8000118.8
186S32.4Very low34.5Very low121 Ų121145 Ų14585%0.84680%0.801SS**  trans-144136.9162.859.20000110.3
187M30.2Very low34.6Very low178 Ų178143.7 Ų143.788%0.87780%0.797SS**  trans-136.3148.6173.5-85.6-151.9-68.800111
188K33.6Very low35Very low187 Ų187144.3 Ų144.381%0.81380%0.797SS**  trans51.4106.9154.6-75.5-173.8172.3-175.60120.4
189K38.1Very low35.7Very low185 Ų185150.8 Ų150.880%0.80480%0.804SS**  57.4117.6105.3-72.1-83.6-172173.30121.3
190S43.2Very low36.2Very low100 Ų100147.4 Ų147.470%0.69980%0.799SS**  76.3159.7129.6-58.50000118.4
191D34.1Very low37.1Very low155 Ų155143.2 Ų143.283%0.82979%0.789SS**  cis-153.9-175.79.5-151.88.7000114.7
192S29Very low38Very low118 Ų118144.1 Ų144.183%0.82579%0.792SS**  trans88.4139.7163.9-156.10000118.3
193G36.8Very low38.7Very low70 Ų70144.6 Ų144.672%0.72280%0.799SS**  cis177.3175.5-600000116.3
194E30.7Very low39.1Very low182 Ų182145.3 Ų145.385%0.8580%0.802SS**  trans88.8125.6161-104-172.612500126
195I38.4Very low39.7Very low147 Ų147142.8 Ų142.875%0.75480%0.804SS**  trans28.8100.6158.857.4172.4000125.3
196G38.6Very low40.5Very low81 Ų81145.8 Ų145.884%0.83581%0.81SS**  67.8101.188.200000122.4
197A34.2Very low41.1Very low89 Ų89151.4 Ų151.474%0.73681%0.813SS**  trans-154.4126.7152.600000115.4
198K41.1Very low41.8Very low196 Ų196148 Ų14885%0.85281%0.807SS**  trans54.3116.9141.3-58.2163.6-170.3171.50119.7
199K45Very low42.4Very low212 Ų212145.3 Ų145.392%0.92281%0.808SS**  trans-60.3141.8165-68.2178.4178.2176.20111.5
200V47.4Very low42.3Very low123 Ų123141.9 Ų141.975%0.74581%0.808SS**  trans-126.3129.8165.4-177.80000108.9
201P51.8Low42.1Very low102 Ų102143 Ų14366%0.66281%0.811SS**PPolyproline II helixtrans-67.1152.7175.3-19.933000112.7L203P201-L203 PolarHBondContact O-N 3.28Å
202P52.1Low42.6Very low130 Ų130144.8 Ų144.884%0.84481%0.814SS**PPolyproline II helixtrans-60.4137.8175.725.6-33.9000111.6
203L45.9Very low43.1Very low161 Ų161145.9 Ų145.984%0.84381%0.81SS**PPolyproline II helixtrans-73143.5-171.7-64.7170.8000112.4P201P201-L203 PolarHBondContact O-N 3.28Å
204K46.4Very low43Very low190 Ų190147.5 Ų147.583%0.82681%0.806SS**PPolyproline II helixtrans-65.1139.3173.1-62.7177.1-178.7177.10110.1
205P54.5Low43Very low128 Ų128149 Ų14983%0.83181%0.81SS**PPolyproline II helixtrans-61.8138.3175.725.7-33.6000111.1
206K47.9Very low43.1Very low207 Ų207147.7 Ų147.790%0.981%0.805SS**PPolyproline II helixtrans-75.3138.2-177.5-76-173.7174.1-177.20111.9
207R44.2Very low42.9Very low238 Ų238149.5 Ų149.590%0.89880%0.802SS**PPolyproline II helixtrans-66.7141165-170178.1-174177.61.1109.3
208S45.6Very low43.3Very low108 Ų108152 Ų15276%0.75580%0.802SS**PPolyproline II helixtrans-71.2133.1178.939.40000111.9
209P45.3Very low43.5Very low129 Ų129148.4 Ų148.484%0.83880%0.798SS**  trans-95.197.8177.434.5-30000111.2
210S36.6Very low43Very low114 Ų114144 Ų14480%0.79779%0.791SS**  trans-155.354.8168.9-1750000111.8
211T38.5Very low42.2Very low124 Ų124149.3 Ų149.376%0.76180%0.798SS**  trans-106.298.7164.449.60000108.6
212Q45.8Very low41.3Very low191 Ų191150.5 Ų150.589%0.89380%0.803SS**  trans-74.5136.3158.4-70.7-7414.600107.6
213L38.2Very low40.7Very low141 Ų141149.6 Ų149.674%0.73880%0.797SS**  trans-99.6142.5178.2-91.198.5000111.6
214T34.6Very low40.9Very low104 Ų104147.7 Ų147.764%0.63879%0.794SS**  trans50.9115.9141.1-50.30000119.3
215F32Very low40Very low213 Ų213143.8 Ų143.893%0.93479%0.791SS**  -148.6145.7121.4-89-64.8000110.1
216D39.4Very low38.8Very low121 Ų121142.5 Ų142.565%0.64779%0.791SS**  trans-131.5125.6179.8172.540.8000109.5
217P35.3Very low38Very low119 Ų119139.2 Ų139.277%0.77379%0.789SS**  trans-111.6102.5170.834.7-22.4000111.9
218L41.2Very low37.8Very low142 Ų142133.4 Ų133.474%0.74378%0.782SS**PPolyproline II helixtrans-63152.8173.8-67.1174.2000113.2
219P45.4Very low37.4Very low119 Ų119136.1 Ų136.177%0.77379%0.787SS**PPolyproline II helixtrans-80.6142.3-172.931.1-36.2000115.2
220P35Very low37.1Very low119 Ų119135.1 Ų135.177%0.77378%0.781SS**PPolyproline II helixtrans-90.5154163.935.2-32000112
221R31.5Very low36.5Very low235 Ų235138.6 Ų138.689%0.88778%0.782SS**  cis-161.5157.2-7.3-162.3170.5-173.3122.9-2110.5
222V32.2Very low36Very low128 Ų128141 Ų14178%0.77678%0.784SS**  trans-63-178.7171.7-93.50000114.9
223P40.2Very low35.1Very low111 Ų111135.9 Ų135.972%0.72178%0.775SS**  cis-132.3-167234.7-12.4000114.2
224P48.6Very low34.6Very low120 Ų120133.5 Ų133.578%0.77978%0.775SS**  cis-115.4-129.2-3.729.4-4.3000110.9
225S28.8Very low34.3Very low109 Ų109136.2 Ų136.276%0.76279%0.786SS**  cis-172.3154.8-4.829.20000108
226A28.7Very low34.6Very low100 Ų100131.3 Ų131.383%0.82678%0.778SS**  cis-143.7166.3-14.300000109.7
227T32Very low34.6Very low139 Ų139134 Ų13485%0.85379%0.787SS**  trans-76.2172.9179.722.30000113.7
228P38.9Very low34.8Very low115 Ų115135 Ų13575%0.74778%0.784SS**  cis-139.6176.524.142.2-22.9000119.2
229L37.2Very low34.4Very low166 Ų166136.4 Ų136.487%0.86979%0.787SS**  trans-117.7156.7160.6-65.8171.8000109.1
230P38.4Very low33.7Very low108 Ų108137 Ų13770%0.70179%0.788SS**  -153.8167.4127.440.9-24.8000116.9
231F25.6Very low33.5Very low187 Ų187134.8 Ų134.882%0.8279%0.787SS**  trans61137.3171.7-65.9-83.3000117.8
232Q27.7Very low33.5Very low173 Ų173132 Ų13281%0.80879%0.79SS**  cis100.1120.56.5-158.5-169.9110.600117.6
233A25.6Very low33.6Very low85 Ų85128.1 Ų128.170%0.70278%0.776SS**  trans86.3123.1156.800000121.5
234A28.2Very low33.6Very low90 Ų90131.3 Ų131.374%0.74478%0.781SS**  trans78.6143.9137.500000122.1
235D27.7Very low33.5Very low162 Ų162132.1 Ų132.187%0.86678%0.779SS**  trans60.2-177.3159.3-74-60.9000119
236S38.2Very low34Very low109 Ų109134.9 Ų134.976%0.76278%0.78SS**SBendtrans-84.8148.3-163.2-63.20000113.3
237Q40.1Very low35.2Very low179 Ų179134 Ų13484%0.83677%0.766SS**  trans87.5137.5156.4-144.5177.2-18.800117
238I40.3Very low35.7Very low139 Ų139131.3 Ų131.371%0.71375%0.749SS**  trans88.2139.8166.8-54.7-175.3000118
239Q31.8Very low35.6Very low171 Ų171135.9 Ų135.980%0.79975%0.753SS**  trans66121.9172.8-74.7171.398.800116.5
240T31.8Very low35.9Very low132 Ų132134 Ų13481%0.8174%0.742SS**  76.9132.350.868.30000115.6
241G31.1Very low36.5Very low73 Ų73135.9 Ų135.975%0.75374%0.742SS**  trans148.1101.1155.400000116.2
242D31.5Very low37.4Very low175 Ų175135 Ų13594%0.93674%0.742SS**  trans63.9156.1139.5-147.610.9000121.2
243G33.9Very low38.5Very low47 Ų47132.3 Ų132.349%0.48574%0.737SS.*  trans72123.7177.500000115.5
244E38.7Very low39Very low178 Ų178131.4 Ų131.483%0.83274%0.736SS**  cis-132.2135.7-5.2-23.2-67.2157.600106.5
245D47.9Very low39.4Very low137 Ų137135.3 Ų135.373%0.73374%0.739SS**  43.2117.689.3-108.3-153.5000113
246E39.1Very low40Very low168 Ų168133.3 Ų133.379%0.78573%0.732SS**  cis53.3171.225.2-103.2-148.2103.500113.4
247P53.9Low39.9Very low81 Ų81136.7 Ų136.753%0.52673%0.733SS.*  cis-124.2179.2-15.540-26.1000113.8
248V41.2Very low39.4Very low82 Ų82133 Ų13350%0.49772%0.723SS.*  trans46124.7135.2166.50000119.3I250V248-I250 HydrophobicContact CG1-CD1 3.65Å; V248-I250 HydrophobicContact CG1-CG1 4.05Å; V248-I250 HydrophobicContact CG2-CD1 4.25Å; V248-I250 HydrophobicContact CG2-CG1 4.5Å
249Y38.2Very low39Very low211 Ų211137.4 Ų137.483%0.82773%0.731SS**  -141.7129.967.8-79.5-89.9000111.1
250I42.7Very low39Very low126 Ų126136.6 Ų136.665%0.64673%0.727SS**  61.7114.868.4-62.1-179.9000111.1V248V248-I250 HydrophobicContact CG1-CD1 3.65Å; V248-I250 HydrophobicContact CG1-CG1 4.05Å; V248-I250 HydrophobicContact CG2-CD1 4.25Å; V248-I250 HydrophobicContact CG2-CG1 4.5Å
251E51.8Low39Very low149 Ų149134.5 Ų134.570%0.69672%0.718SS**  cis-150.8-159.5-10.7-135.4-141.6118.500108.6V253E251-V253 WeakPolarHBondContact OE1-CG2 3.4Å; E251-V253 PolarHBondContact OE1-N 3.04Å
252M43.4Very low39Very low168 Ų168139.6 Ų139.683%0.82872%0.722SS**  cis-142.3147.723.7-83.9-171-6600114.8
253V51.3Low38.8Very low117 Ų117137.3 Ų137.371%0.70972%0.715SS**  trans32.9126.8140.2-167.10000120.9E251E251-V253 WeakPolarHBondContact OE1-CG2 3.4Å; E251-V253 PolarHBondContact OE1-N 3.04Å
254G36.2Very low38.6Very low65 Ų65140 Ų14067%0.6773%0.733SS**  trans130.970.6159.600000115.4
255Q36.9Very low38.2Very low173 Ų173137.4 Ų137.481%0.80873%0.729SS**  48.3130.181.9-89.3-171.1800114
256V40.9Very low37.8Very low120 Ų120136.9 Ų136.973%0.72773%0.733SS**  cis-147.9124.631.1163.90000113.6
257F34.2Very low37.2Very low179 Ų179137 Ų13779%0.78573%0.733SS**  trans51.7151.3140.7-68.7-93.9000127.6
258T30.8Very low36.7Very low101 Ų101138.4 Ų138.462%0.6274%0.742SS**  trans-66.6172.8163.646.40000112.6
259R31.3Very low36.2Very low233 Ų233140.9 Ų140.988%0.87976%0.757SS**  cis81.677.719-152.9-161.5175.6-175.5-1.2119
260E32Very low35.8Very low154 Ų154136.7 Ų136.772%0.7275%0.754SS**  trans-118.8175.8153.4-9166-146.100108.8
261S32.2Very low36.1Very low88 Ų88136 Ų13662%0.61576%0.758SS**  cis-174.9165.5-41.1-94.60000108.8
262Q30.5Very low34.9Very low179 Ų179136 Ų13684%0.83677%0.767SS**  trans65.2179.8158.4-7217054.200118
263T27.3Very low34.2Very low128 Ų128131.5 Ų131.579%0.78576%0.757SS**  -160.9172.4-81.920.40000110.9
264A29.3Very low33.3Very low104 Ų104132.3 Ų132.386%0.8676%0.762SS**  trans86.1151.1159.400000119.9
265T31.1Very low33.6Very low122 Ų122135.8 Ų135.875%0.74877%0.771SS**  trans-105.9160.3-171.7520000111.6
266P40.5Very low33.7Very low126 Ų126133.5 Ų133.582%0.81877%0.771SS**  -139.7170.49127-7000116.3
267H25.5Very low33Very low170 Ų170135.1 Ų135.179%0.78778%0.775SS**  trans-73.8176.3173.2-71.6-68.2000112.2
268P43.4Very low32.8Very low111 Ų111131 Ų13172%0.72177%0.769SS**  cis-149.216921.947.2-27.5000121
269V30.1Very low32.7Very low134 Ų134133.7 Ų133.781%0.81278%0.779SS**  trans58.7135.8161.2-132.10000122.6
270T29.7Very low32.8Very low123 Ų123128.2 Ų128.276%0.75578%0.777SS**  trans-90.4-161.4169.158.10000110.3
271P49.4Very low33.3Very low113 Ų113128 Ų12873%0.73478%0.781SS**  cis-134.4175.6-10.441.7-25.7000115.3
272V26.5Very low33.4Very low148 Ų148130.9 Ų130.990%0.89778%0.784SS**  trans-167.8169.5134.21330000111.3
273A28.5Very low34Very low74 Ų74127.8 Ų127.861%0.61278%0.783SS**  trans-87.1-178.4-159.200000117.2
274T32.5Very low34.6Very low134 Ų134127.8 Ų127.882%0.82277%0.774SS**  trans67.7123.8155.443.20000119.6
275T42.8Very low35.2Very low137 Ų137126.3 Ų126.384%0.8476%0.761SS**  trans-66.2131.9168.548.50000113.1
276P38.5Very low35.6Very low125 Ų125124.2 Ų124.281%0.81275%0.745SS**  trans-92.5179.9143.636.3-30.1000111.2
277D27Very low35.3Very low154 Ų154126.3 Ų126.382%0.82474%0.738SS**  trans-118177.6-172.8-154.2-10.8000110.7
278S30.5Very low36.3Very low92 Ų92124.1 Ų124.164%0.64373%0.728SS**  trans80.3155.9159.7-57.40000122.1
279D29.1Very low36.9Very low158 Ų158127.3 Ų127.385%0.84573%0.733SS**  trans67.885156.6-56.6-29000120.7
280S32Very low37.3Very low118 Ų118128.7 Ų128.783%0.82573%0.733SS**  -155.492.3116.1-161.10000111.4
281D43.6Very low37.7Very low151 Ų151132.3 Ų132.381%0.80774%0.738SS**  trans-114.6158.2156-128.8-34.8000107.4
282Q34.4Very low36.9Very low147 Ų147136.5 Ų136.569%0.68774%0.74SS**  trans55.668.7175.1-63.9173.4-101.100117.4E284Q282-E284 PolarHBondContact NE2-OE1 3.06Å; Q282-E284 PolarHBondContact O-N 3.28Å
283S41.8Very low37.7Very low115 Ų115134.9 Ų134.980%0.80473%0.733SS**  trans-78.174.9152.248.80000110.8A285S283-A285 PolarHBondContact O-N 3.18Å
284E39.4Very low37.8Very low127 Ų127139 Ų13959%0.59374%0.739SS**  trans-73.330.4-170.1-151.4160.2-99.600114.8Q282 Q705Q282-E284 PolarHBondContact NE2-OE1 3.06Å; Q282-E284 PolarHBondContact O-N 3.28Å; E284-Q705 PolarHBondContact O-NE2 2.65Å
285A42.3Very low37.6Very low73 Ų73139.1 Ų139.160%0.60373%0.731SS**  trans-59.7-115.2-15300000120.5S283S283-A285 PolarHBondContact O-N 3.18Å
286I39.2Very low36.9Very low78 Ų78140.1 Ų140.140%0.473%0.726SS.*  trans6915915127.9169.3000120.9L703 Q704 Q705I286-L703 HydrophobicContact CG2-CD2 3.32Å; I286-Q704 VanDerWaalsContact CB-CA 3.43Å; I286-Q704 HydrophobicContact CG2-CG 4.48Å; I286-Q705 VanDerWaalsContact C-CB 3.41Å; I286-Q705 HydrophobicContact CB-CB 3.85Å; I286-Q705 HydrophobicContact CD1-CB 4.42Å; I286-Q705 HydrophobicContact CG1-CB 3.93Å; I286-Q705 VanDerWaalsContact O-CB 3.3Å; I286-Q705 WeakPolarHBondContact O-CB 3.4Å
287Y35Very low36.5Very low171 Ų171141.1 Ų141.167%0.67172%0.724SS**  trans-158.893.1-175.1-154.6-70.4000120.2Q704 P706Y287-Q704 VanDerWaalsContact C-CG 3.4Å; Y287-Q704 VanDerWaalsContact N-CA 3.33Å; Y287-Q704 WeakPolarHBondContact O-CB 3.47Å; Y287-Q704 WeakPolarHBondContact O-CG 3.31Å; Y287-Q704 PolarHBondContact O-NE2 3.17Å; Y287-P706 HydrophobicContact CD2-CG 3.51Å; Y287-P706 HydrophobicContact CE2-CG 3.66Å; Y287-P706 HydrophobicContact CG-CG 4.04Å
288E46.5Very low36.6Very low124 Ų124144.5 Ų144.558%0.57973%0.726SS**  trans132143.7-173-86.2168.4-166.400112.3Q704 Q705E288-Q704 HydrophobicContact CB-CB 3.69Å; E288-Q704 HydrophobicContact CB-CG 4.28Å; E288-Q704 CarbonylContact O-C 2.88Å; E288-Q704 WeakPolarHBondContact O-CA 3.23Å; E288-Q704 WeakPolarHBondContact O-CB 3.46Å; E288-Q704 PolarHBondContact OE2-NE2 3.18Å; E288-Q705 CarbonylContact C-O 3.56Å; E288-Q705 WeakPolarHBondContact CA-O 3.43Å; E288-Q705 PolarHBondContact N-O 2.67Å; E288-Q705 PolarHBondContact O-N 3.26Å
289E56.9Low36.6Very low178 Ų178148.5 Ų148.583%0.83273%0.734SS**  cis-139.6144-7.7179.6-179-175.200110
290M38.5Very low36.5Very low162 Ų162145.8 Ų145.880%0.79873%0.728SS**  trans-93.5109.9177.3-75.3-123.3-65.600114.2
291K37.8Very low36.2Very low199 Ų199146.8 Ų146.887%0.86572%0.719SS**  trans-154.597.2145.8-13777.4173-164.30115.2
292Y31.3Very low35.4Very low201 Ų201148.5 Ų148.579%0.78871%0.714SS**  trans-69.9168155.2-95.8-106.2000110.2
293P43.8Very low35Very low115 Ų115149.3 Ų149.375%0.74772%0.718SS**  cis-137.216131.621.55000119.6
294H31.6Very low34.3Very low159 Ų159150.9 Ų150.974%0.73672%0.716SS**  24.5147.7124.2-98.2-22.4000119.2
295Q28.3Very low34.6Very low137 Ų137150.2 Ų150.264%0.6472%0.723SS**  179.8157.159.9-151.8171.7-33.100111.6
296E26.9Very low34.7Very low159 Ų159151 Ų15174%0.74372%0.722SS**  trans61.3168.3146.3-96156.9-134.400124.9
297D30.8Very low34.2Very low145 Ų145156.3 Ų156.378%0.77574%0.742SS**  trans-50.5145.9177.9-68.4-60.4000115
298R29.4Very low34.1Very low226 Ų226154.9 Ų154.985%0.85374%0.741SS**  -175.7128.9100.6-101.5-174166.6-163.6-6116.6S300R298-S300 PolarHBondContact O-N 3.02Å
299E29.9Very low33.4Very low175 Ų175154.8 Ų154.882%0.81874%0.741SS**  16.988.8111.1-164.588.5-97.400116.8
300S27.6Very low32.3Very low102 Ų102153.2 Ų153.271%0.71373%0.731SS**  trans-159.2109.6154.2-90.50000116.2R298R298-S300 PolarHBondContact O-N 3.02Å
301Q25.5Very low32.2Very low138 Ų138151.6 Ų151.665%0.64573%0.725SS**  52.2124.4123.6-60-165.718.900122
302R25.8Very low32Very low187 Ų187150.6 Ų150.671%0.70672%0.721SS**  trans47.9115.8131.7-48.1-178.8-70.1144.5-7117.1
303H27.7Very low32.1Very low164 Ų164145.1 Ų145.176%0.75972%0.718SS**  -169.5150.773.2-117.1-84.9000114.6
304L25.4Very low31.6Very low149 Ų149144.2 Ų144.278%0.7871%0.714SS**  trans-86.9170.8153.2-70.6169.6000109.5
305P45.7Very low31.7Very low112 Ų112145.6 Ų145.673%0.72772%0.717SS**  cis-125.1-121.5-9235.3000108
306P44.9Very low31.9Very low91 Ų91144.1 Ų144.159%0.59171%0.71SS**  cis-141.6141.1-20.733-9.8000119.5
307K29.1Very low32Very low189 Ų189144.4 Ų144.482%0.82271%0.706SS**  trans65.2-175.5140.2-55.7172.4175.9-178.70115.3
308H32Very low31.9Very low141 Ų141141 Ų14165%0.65369%0.685SS**  cis-153.8-179.80.4-156-129.9000112.4
309E31.8Very low31.9Very low122 Ų122133.2 Ų133.257%0.5766%0.663SS**  trans80.3141.2161.8-43.7-8993.400118.4
310K35.3Very low31.9Very low144 Ų144128.5 Ų128.563%0.62665%0.646SS**  cis-151.9135.3-20.2-113.2178.4-179.9141.70107.3
311L36.5Very low32Very low129 Ų129130 Ų13068%0.67565%0.651SS**  53.7138.699.9-60.3-172.7000115
312K33.1Very low32.2Very low177 Ų177128.3 Ų128.377%0.7765%0.654SS**  cis-146.9143.718.2-108.3135.5178.8-178.40108.7
313A33.2Very low32.5Very low87 Ų87124.6 Ų124.672%0.71966%0.657SS**  69.4155.284.900000114.3
314S33.2Very low32.7Very low95 Ų95121.9 Ų121.966%0.66466%0.656SS**  cis-160.1146.616-151.20000113.3
315K34.6Very low33Very low188 Ų188119.6 Ų119.682%0.81765%0.653SS**  trans42.9149.7134.5-71.4-175.6180-172.40122.3
316H32.1Very low32.3Very low106 Ų106121.4 Ų121.449%0.49166%0.656SS.*  cis179.2124-21.8-137-128.8000108.1W748H316-W748 HydrophobicContact CB-CB 3.94Å; H316-W748 HydrophobicContact CB-CE3 4.15Å; H316-W748 HydrophobicContact CB-CG 4.47Å; H316-W748 AromaticContact CD2-CE3 3.71Å; H316-W748 AromaticContact CE1-CD2 3.24Å; H316-W748 AromaticContact CE1-CE2 3.53Å; H316-W748 AromaticContact CE1-CE3 3.36Å; H316-W748 AromaticContact CE1-CG 3.77Å; H316-W748 AromaticContact CE1-CZ3 3.86Å; H316-W748 AromaticContact CE1-NE1 3.95Å; H316-W748 AromaticContact CG-CD2 3.76Å; H316-W748 AromaticContact CG-CE3 3.44Å; H316-W748 VanDerWaalsContact CG-CE3 3.44Å; H316-W748 AromaticContact ND1-CD1 3.79Å; H316-W748 AromaticContact ND1-CD2 3.06Å; H316-W748 AromaticContact ND1-CE2 3.8Å; H316-W748 AromaticContact ND1-CE3 3.25Å; H316-W748 AromaticContact ND1-CG 3.17Å; H316-W748 AromaticContact NE2-CE3 3.67Å; H316-W748 AromaticContact NE2-CZ3 3.84Å
317Y28.9Very low31.7Very low166 Ų166121.4 Ų121.465%0.65166%0.659SS**  trans-167.9118.1178.5-91.7-1.4000112.3P749 M750Y317-P749 VanDerWaalsContact CD1-C 3.45Å; Y317-P749 WeakPolarHBondContact CD1-O 3.47Å; Y317-P749 WeakPolarHBondContact CD2-O 3.46Å; Y317-M750 VanDerWaalsContact C-N 3.26Å; Y317-M750 WeakPolarHBondContact CD2-O 3.39Å
318H29.1Very low31.9Very low73 Ų73117.6 Ų117.634%0.33866%0.656SS.*BIsolated β-bridgecis89.9-176.4-7.4-147.838.9000123.7T320 W748 P749 M750H318-T320 WeakPolarHBondContact NE2-CG2 3.49Å; H318-T320 PolarHBondContact NE2-N 3.43Å; H318-W748 CarbonylContact C-O 3.58Å; H318-W748 WeakPolarHBondContact CA-O 3.44Å; H318-W748 HydrophobicContact CB-CB 4.01Å; H318-W748 HydrophobicContact CB-CD2 3.13Å; H318-W748 HydrophobicContact CB-CE3 3.65Å; H318-W748 HydrophobicContact CB-CG 3.32Å; H318-W748 HydrophobicContact CB-CH2 4.21Å; H318-W748 HydrophobicContact CB-CZ2 3.83Å; H318-W748 HydrophobicContact CB-CZ3 4.15Å; H318-W748 WeakPolarHBondContact CB-O 3.49Å; H318-W748 AromaticContact CD2-CD1 3.59Å; H318-W748 AromaticContact CD2-CE2 3.6Å; H318-W748 AromaticContact CD2-NE1 3.21Å; H318-W748 PolarHBondContact CD2-NE1 3.33Å; H318-W748 AromaticContact CG-CD1 4Å; H318-W748 AromaticContact CG-CE2 3.62Å; H318-W748 AromaticContact CG-CZ2 3.95Å; H318-W748 AromaticContact CG-NE1 3.7Å; H318-P749 CarbonylContact O-C 3.45Å; H318-P749 WeakPolarHBondContact O-CA 3.39Å; H318-M750 WeakPolarHBondContact O-CE 3.27Å; H318-M750 PolarHBondContact O-N 3.06Å
319V27.7Very low31.8Very low63 Ų63116.5 Ų116.538%0.38266%0.664SS.*  cis-142-176.246.679.20000114.4W748 P749V319-W748 WeakPolarHBondContact CA-O 3.35Å; V319-W748 WeakPolarHBondContact CB-O 3.38Å; V319-W748 PolarHBondContact N-O 3.12Å; V319-W748 VanDerWaalsContact N-O 3.16Å; V319-P749 HydrophobicContact CB-CB 4.2Å; V319-P749 HydrophobicContact CB-CG 4.43Å
320T30.3Very low32.3Very low75 Ų75118.6 Ų118.646%0.4668%0.678SS.*  trans-85.6169.5-174.847.20000115.6H318H318-T320 WeakPolarHBondContact NE2-CG2 3.49Å; H318-T320 PolarHBondContact NE2-N 3.43Å
321T29.7Very low32.8Very low133 Ų133118 Ų11882%0.81669%0.689SS**  cis-127.5169.521.5510000112.4
322S30.1Very low32.8Very low103 Ų103122.6 Ų122.672%0.7270%0.698SS**  cis-157.1162.540.957.60000117.2
323S33.2Very low33.2Very low109 Ų109120.4 Ų120.476%0.76270%0.701SS**  trans-28.4161.3160.130.50000119.6
324S30.9Very low33Very low107 Ų107121.1 Ų121.175%0.74870%0.701SS**  cis-166.9162.3-1.440.80000115.1
325S31.1Very low32.7Very low101 Ų101121.9 Ų121.971%0.70671%0.706SS**  trans-33.2171.4159.162.40000119.8
326N31.7Very low32.4Very low150 Ų150118.4 Ų118.480%0.80271%0.706SS**  cis-166.6171.26.6-131.16.6000115.9
327S31.6Very low32.4Very low92 Ų92118.8 Ų118.864%0.64372%0.72SS**  trans54.8113139.969.50000126.2
328S35Very low33.2Very low108 Ų108117 Ų11776%0.75573%0.729SS**  45.3136.9125.366.60000125.7
329S28.6Very low33.2Very low119 Ų119119.1 Ų119.183%0.83275%0.752SS**  169.6172.3114.650.20000114.5
330L43Very low33.4Very low165 Ų165126.7 Ų126.786%0.86478%0.775SS**  trans-123.8159175.3-63.6172.8000109.6
331P45.5Very low33.5Very low131 Ų131128.2 Ų128.285%0.85179%0.789SS**  -154.5-173.699.539.3-19.6000116.6
332R35.9Very low33.8Very low227 Ų227131.4 Ų131.486%0.85779%0.792SS**  trans-92167.7168.5-75.1178158.2-161.1-3.4112
333P42.4Very low34.9Very low131 Ų131132.1 Ų132.185%0.85179%0.794SS**  -140.9-143.9103.639.8-25000114.5
334S27.7Very low34.8Very low101 Ų101136.6 Ų136.671%0.70680%0.799SS**  trans-142.7172.8-148.4-53.30000116
335S28.3Very low34.9Very low112 Ų112135.8 Ų135.878%0.78380%0.8SS**  trans105.9160.3138.583.80000122.1
336S28.6Very low34.9Very low114 Ų114137 Ų13780%0.79780%0.803SS**  trans92.1149.8153.278.70000121.1
337S30.9Very low34.9Very low114 Ų114135.4 Ų135.480%0.79780%0.798SS**  trans-125.1159.3-179.2-47.20000110.1
338P45.8Very low35Very low130 Ų130136.1 Ų136.184%0.84480%0.803SS**  trans-85.1165.5168.435-33.7000113
339S29.1Very low34.8Very low116 Ų116137.7 Ų137.781%0.81180%0.802SS**  trans-152.1-176-176.4-169.50000112
340Y31.6Very low35.1Very low222 Ų222136.5 Ų136.587%0.87179%0.793SS**  trans96.5139.5-167.8-79.8-104.8000114.4
341S33.2Very low34.8Very low108 Ų108137 Ų13776%0.75579%0.791SS**  cis-136.8171.920.3-59.40000115
342K36.8Very low34.1Very low200 Ų200135.7 Ų135.787%0.8779%0.785SS**  trans-120.7178.3169-79.8-174.3176.7179.10108.8
343P53.1Low34Very low117 Ų117130.2 Ų130.276%0.7678%0.782SS**  cis-147.3174.715.643.5-23.6000120.3
344K30.6Very low34.4Very low203 Ų203130 Ų13088%0.88378%0.78SS**  trans100.9137.5135.1-134.1171-174.7179.50121.5
345A32Very low34.8Very low91 Ų91132.2 Ų132.275%0.75278%0.783SS**  trans74.1151.3164.100000120.2
346T31Very low35.9Very low127 Ų127133 Ų13378%0.77979%0.786SS**  cis-174162.3-31.7-92.40000109.8
347V32Very low36Very low115 Ų115132.5 Ų132.570%0.69778%0.782SS**  trans73.8128.1-178.8-149.90000113.3
348S33.2Very low36.2Very low108 Ų108132.6 Ų132.676%0.75578%0.783SS**  cis78.3137.343.3-47.20000112.7
349I32.6Very low35.4Very low141 Ų141131 Ų13172%0.72378%0.78SS**  -162.213057.7-71.5152.6000105.4
350S34.2Very low35.5Very low94 Ų94130.7 Ų130.766%0.65778%0.778SS**  88.6146.262.4-53.60000116
351H35.4Very low35.4Very low174 Ų174125.2 Ų125.281%0.80677%0.772SS**  trans78.8149.8175-52.8-70.8000116.3
352S30.9Very low35.8Very low104 Ų104126.6 Ų126.673%0.72778%0.777SS**  cis-162.1-176.8-9.5-110.80000112.4
353S35Very low36.3Very low113 Ų113122.7 Ų122.779%0.7977%0.772SS**  trans-138.5171.8162.8-50.50000109.1
354P50Low35.6Very low125 Ų125123.5 Ų123.581%0.81277%0.774SS**  -153.8-174.881.941.2-20.8000116.5
355L36.6Very low36.4Very low149 Ų149119.3 Ų119.378%0.7877%0.767SS**  trans-89.2175.1164.8-66.4166.7000111.3
356P51.9Low36.3Very low129 Ų129123 Ų12384%0.83877%0.769SS**  -142.8-172.9106.540.5-27.8000114.5
357S30.8Very low36.3Very low103 Ų103122.7 Ų122.772%0.7277%0.767SS**  trans-136.9167.3-175.3-57.80000113
358S33.6Very low36.2Very low115 Ų115124.6 Ų124.680%0.80477%0.773SS**  trans105.6131.6146.6-56.50000121.3
359A30.6Very low36Very low96 Ų96124.3 Ų124.379%0.79377%0.771SS**  trans81.1119.7139.400000123.2
360S30.6Very low35.9Very low110 Ų110123.7 Ų123.777%0.76977%0.773SS**  trans56.9122.1136.9-162.30000121.6
361S30Very low35.7Very low107 Ų107123.2 Ų123.275%0.74877%0.77SS**  172.7148.197-68.30000112.4
362T41.4Very low36.2Very low138 Ų138120.9 Ų120.985%0.84777%0.77SS**  trans-87.9150.6168.346.30000111.4
363P46.1Very low36.4Very low118 Ų118123.1 Ų123.177%0.76677%0.769SS**  -142.7168.7127.638.2-25.9000114.3
364V40.3Very low36.5Very low134 Ų134122.9 Ų122.981%0.81276%0.763SS**  trans-128.9127.4168.2175.10000108.9
365P46.4Very low36.4Very low114 Ų114122.7 Ų122.774%0.7476%0.761SS**  -131.2150129.535.6-26.1000110.9
366Q30Very low36.1Very low169 Ų169127.1 Ų127.179%0.7977%0.768SS**  cis92.5108.934.4-90.4-153-18.100116.6
367V31Very low35Very low120 Ų120124.7 Ų124.773%0.72776%0.759SS**  trans50.3155149.2-89.20000120.9
368L29.9Very low35.7Very low156 Ų156125.6 Ų125.682%0.81776%0.762SS**  cis-93.7-149.1-0.9-65.3165.3000110.2
369S27.8Very low35.7Very low102 Ų102126 Ų12671%0.71376%0.76SS**  cis-161.5170.7-1.5-1420000107.6
370T31.2Very low36.8Very low128 Ų128126.1 Ų126.179%0.78575%0.753SS**  cis-131.9-1599.762.50000111.4
371S30.5Very low36.7Very low83 Ų83131 Ų13158%0.5876%0.756SS**  trans-107.7174.7161.4-108.20000110.7H373S371-H373 VanDerWaalsContact OG-CB 3.3Å; S371-H373 WeakPolarHBondContact OG-CB 3.26Å
372P46.1Very low36.9Very low125 Ų125133.3 Ų133.381%0.81276%0.759SS**  cis-118.5150.615.337.8-24000115.7
373H34.7Very low36.6Very low151 Ų151134.1 Ų134.170%0.69976%0.757SS**  cis75.5112.619.4-166.4-84.8000114.4S371S371-H373 VanDerWaalsContact OG-CB 3.3Å; S371-H373 WeakPolarHBondContact OG-CB 3.26Å
374T37Very low36Very low108 Ų108137.7 Ų137.766%0.66376%0.764SS**  cis-139.5-152.616-1.20000108.3
375P48.1Very low35.6Very low121 Ų121134.6 Ų134.679%0.78676%0.759SS**  cis-122.7-162.2-7.416.212000112.1
376R30.3Very low34.8Very low242 Ų242132.7 Ų132.791%0.91376%0.76SS**  cis-169.7157.8-38.8173.5171.4168.3163.6-0.7108.1
377A27.9Very low35Very low79 Ų79134.7 Ų134.765%0.65377%0.766SS**  trans-106.9-171.1177.100000112.2
378P45.3Very low35.1Very low122 Ų122133.3 Ų133.379%0.79276%0.762SS**  cis-139.4-154.2-1.640.8-17.7000114.4
379T35.5Very low35Very low124 Ų124133.6 Ų133.676%0.76176%0.759SS**  trans-61.5178.2163.351.70000113.7
380P53Low35.3Very low98 Ų98133.6 Ų133.664%0.63676%0.759SS**  cis-142.3-16412.327.21.4000116.5
381Y29Very low35.3Very low212 Ų212135.7 Ų135.783%0.83176%0.76SS**  trans68.9159.5169.6-67.8-78.2000116.6
382L34.4Very low35.7Very low156 Ų156136.8 Ų136.882%0.81777%0.768SS**  cis-141175.323.4-131.6172.7000112.6
383L34.1Very low35.1Very low155 Ų155137.5 Ų137.581%0.81277%0.765SS**  trans-99.8-177178-100.9134.8000112.2
384Q33.5Very low35.2Very low192 Ų192136 Ų13690%0.89777%0.766SS**  trans88.1139.3153.9-149.9167.642.400116.4
385G31.1Very low35.2Very low70 Ų70139.5 Ų139.572%0.72277%0.772SS**  cis-115.4-179.5-9.900000112
386G30.7Very low35Very low74 Ų74141.2 Ų141.276%0.76377%0.773SS**  82.1110.452.700000108.7
387K34.2Very low35.5Very low210 Ų210135.7 Ų135.791%0.91377%0.769SS**  -149.3176.464.5-75.3155.8-175.7177.20113.8
388S32.1Very low36.1Very low92 Ų92136.2 Ų136.264%0.64377%0.773SS**  trans-67.8-174.4166.752.80000112.1
389E29.5Very low36.3Very low162 Ų162135.6 Ų135.676%0.75777%0.769SS**  cis-167.4167.721-147.2149.7124.900111.2
390S33.6Very low36.8Very low101 Ų101138.8 Ų138.871%0.70677%0.773SS**  trans54.3168.8148.565.70000121.3
391E31.6Very low36.6Very low173 Ų173140 Ų14081%0.80878%0.781SS**  cis-159.5148.8-48.5-112.3-174.799.200109.7
392S37.3Very low37.3Very low105 Ų105136.6 Ų136.673%0.73478%0.777SS**  trans61.8171.1166.685.90000115.6
393N33.9Very low37.6Very low140 Ų140137.3 Ų137.375%0.74978%0.781SS**  cis-141.7178.49.8-149.5-67.5000111.5
394T38.2Very low38.1Very low120 Ų120136.6 Ų136.674%0.73678%0.777SS**  trans-102.1172.3-171.359.40000114.1
395K35.2Very low38.9Very low181 Ų181135.5 Ų135.579%0.78777%0.772SS**  trans103.896.8140-151.6169.7-172.31740119.3
396I44.3Very low39.5Very low157 Ų157142 Ų14281%0.80578%0.783SS**  35.3118.9125.3-60167.9000116.9
397P40.3Very low40.2Very low126 Ų126149.7 Ų149.782%0.81879%0.789SS**  -142.8159.7104.838.6-25.7000117.5
398A40.8Very low40.9Very low90 Ų90145.2 Ų145.274%0.74478%0.781SS**  trans-124.7171.2156.900000106.6
399P49.5Very low41.9Very low109 Ų109146.7 Ų146.771%0.70879%0.789SS**  cis-140.7-169.919.942.1-21.1000116.9
400F46.8Very low42.5Very low191 Ų191147.3 Ų147.384%0.83880%0.796SS**  trans-16.3151172.4-56.7-75.1000120.9
401P48.9Very low43Very low125 Ų125150.4 Ų150.481%0.81280%0.804SS**  -131.7171.697.238.9-32.1000115.8
402N42.8Very low43.3Very low139 Ų139146.9 Ų146.974%0.74381%0.805SS**  trans-74.2161.3-179.8-62.5-70.2000113.9
403L41.4Very low43.4Very low172 Ų172151.2 Ų151.290%0.90181%0.81SS**  -162.6159119-103.4162.3000111.4
404L45.5Very low43.9Very low139 Ų139150.5 Ų150.573%0.72881%0.813SS**  trans-101.9174.1-171.1-73.171.7000112.3
405Q49.1Very low43.8Very low170 Ų170153.7 Ų153.779%0.79482%0.82SS**  trans78.894.4157.4-50.4177.229.100118.6
406H44.2Very low43.9Very low205 Ų205151.3 Ų151.395%0.94982%0.823SS**  trans-135.7150.1138.8-81-67.1000111
407R45.6Very low43.3Very low237 Ų237149 Ų14989%0.89483%0.827SS**PPolyproline II helixtrans-86.6152.5-172.6-66.7177.4172.4106.8-3.2111.4
408P48.3Very low42.8Very low115 Ų115148 Ų14875%0.74783%0.83SS**PPolyproline II helixtrans-65.8141.717128.7-34.8000111.1
409P53.8Low42.4Very low124 Ų124148.7 Ų148.781%0.80584%0.836SS**PPolyproline II helixtrans-74.6144.7177.730.7-34.6000111.9
410L42.3Very low41.6Very low175 Ų175149 Ų14992%0.91684%0.84SS**PPolyproline II helixtrans-82.5124.2173.2-65.7172.7000110.1
411L43.7Very low41Very low165 Ų165145.6 Ų145.686%0.86484%0.84SS**PPolyproline II helixtrans-81.2123.1169.1-75.8169.2000110
412A36.9Very low40.2Very low100 Ų100142.5 Ų142.583%0.82683%0.831SS**PPolyproline II helixtrans-83.9137.5178.100000111.6
413F39.6Very low39.6Very low195 Ų195143.1 Ų143.186%0.85584%0.839SS**PPolyproline II helixtrans-91.6138.2168.9-76.5-90.3000110.5
414P43.9Very low39.1Very low125 Ų125138 Ų13881%0.81283%0.828SS**PPolyproline II helixtrans-72.3135.2174.930-33.8000111.1
415Q37.5Very low38.5Very low188 Ų188137.3 Ų137.388%0.87983%0.829SS**PPolyproline II helixtrans-94.2137.3176.3-70-169.3-28.200112.1
416P36.8Very low37.7Very low131 Ų131136.9 Ų136.985%0.85183%0.828SS**PPolyproline II helixtrans-78.4128.4162.132-30.9000109.9
417A32.1Very low37.1Very low108 Ų108132.2 Ų132.289%0.89381%0.81SS**PPolyproline II helixtrans-89.2139.8-178.300000112.7
418A29.8Very low36.4Very low106 Ų106129.7 Ų129.788%0.87681%0.805SS**  trans-132.5141.7162.400000108.5
419A31.8Very low35.7Very low104 Ų104130.8 Ų130.886%0.8681%0.81SS**  trans-97.4146.6-168.300000113.4
420S32.4Very low34.5Very low114 Ų114130.1 Ų130.180%0.79781%0.808SS**  150.5130.3116.8-170.30000113.6
421S33.5Very low34Very low121 Ų121128 Ų12885%0.84680%0.802SS**  trans52.1133.7150.5-155.40000120.5
422G32.3Very low33.5Very low59 Ų59125.2 Ų125.261%0.60880%0.797SS**  cis162.5-179.71.400000112
423V31.8Very low33.3Very low153 Ų153124 Ų12493%0.92779%0.787SS**  trans68.7128.5-174.8-166.90000113.6
424G31.1Very low33Very low65 Ų65124 Ų12467%0.6779%0.787SS**  cis167.1-174.8-7.100000112.6
425V32Very low32.5Very low123 Ų123123.2 Ų123.275%0.74578%0.78SS**  trans74.489.4158.9-169.90000118.6
426Q31.6Very low32.3Very low162 Ų162122.5 Ų122.576%0.75778%0.776SS**  83.1148.4129.2-69.6-17319.600124.7
427N32Very low32Very low107 Ų107121.7 Ų121.757%0.57277%0.769SS**  trans75112.2152.3-65.3-31.1000117.4
428K31.8Very low32.1Very low184 Ų184121.2 Ų121.280%0.876%0.759SS**  73.6131.384.5-72.3173.9-170.1171.70111.5
429T32.7Very low32.1Very low138 Ų138122.4 Ų122.485%0.84776%0.756SS**  cis-133.4169.113.443.10000113.4
430S29.1Very low32.1Very low110 Ų110121.3 Ų121.377%0.76975%0.747SS**  trans-111.4144.5175.356.80000112.6
431T31.3Very low32Very low129 Ų129122.6 Ų122.679%0.79175%0.75SS**  trans-145105.2158.516.40000107
432S33.3Very low31.9Very low107 Ų107120.9 Ų120.975%0.74874%0.743SS**  95.4139.675.970.40000111.2
433A33.3Very low31.7Very low76 Ų76126.9 Ų126.963%0.62876%0.755SS**  cis-159151.714.200000114.4
434K32.9Very low31.4Very low195 Ų195123.7 Ų123.785%0.84875%0.745SS**  trans68156.1149.5-62.2164.7-177.5178.20116.2
435T32.4Very low31.2Very low108 Ų108125.4 Ų125.466%0.66375%0.747SS**  cis-148.3124.524.7-48.60000113
436Q33.7Very low31Very low173 Ų173125.5 Ų125.581%0.80875%0.748SS**  trans47.5158.3145.6-51.3167.4-28.100120.2
437T31.3Very low30.8Very low114 Ų114122.4 Ų122.470%0.69974%0.744SS**  cis-154.9153.79.7-26.80000110.6
438S33.5Very low30.6Very low97 Ų97122.1 Ų122.168%0.67875%0.75SS**  trans47140.4147.853.30000121.7
439T30.6Very low30.4Very low131 Ų131118.7 Ų118.780%0.80475%0.75SS**  cis-162.8158.610.31.80000111.4
440A31.5Very low30.1Very low82 Ų82116.4 Ų116.468%0.67875%0.745SS**  trans29.7139142.600000121.6
441T30.9Very low30.1Very low140 Ų140116.9 Ų116.986%0.85975%0.748SS**  cis-161.6170.40.95.20000111.4
442A29.9Very low30.2Very low85 Ų85115.1 Ų115.170%0.70274%0.741SS**  trans-66174.4164.100000111.3
443Q28.6Very low30.2Very low185 Ų185116.6 Ų116.686%0.86474%0.74SS**  cis-151.9-174.934.8-61.3177.1-7500113.6
444A25.9Very low30Very low87 Ų87119.1 Ų119.172%0.71975%0.748SS**  trans-5.9153.5146.900000118.1
445S27.1Very low29.6Very low100 Ų100114.4 Ų114.470%0.69974%0.739SS**  -166.1153.159.3-57.30000116.4
446T27.5Very low29.2Very low126 Ų126115.2 Ų115.277%0.77375%0.745SS**  trans32.9138.2138.963.50000123.3
447S26.7Very low28.8Very low96 Ų96111.3 Ų111.367%0.67174%0.736SS**  74.3109.2128.668.50000122
448S28Very low28.7Very low101 Ų101113.7 Ų113.771%0.70674%0.744SS**  74.3114.4116.972.70000122.1
449S28.3Very low28.2Very low113 Ų113114.2 Ų114.279%0.7975%0.748SS**  55128.8126.766.90000122.1
450A27.2Very low27.9Very low90 Ų90111.3 Ų111.374%0.74474%0.744SS**  -162.5163.1125.100000111.6
451S28.4Very low27.8Very low120 Ų120112.8 Ų112.884%0.83975%0.749SS**  trans66.8136.5171.773.30000117.6
452S32.8Very low27.7Very low92 Ų92115.2 Ų115.264%0.64375%0.748SS**  cis-156.1160.5-10.247.50000111.7
453N33Very low27.6Very low137 Ų137119.8 Ų119.873%0.73375%0.754SS**  trans65.5109.9165.4-51.8-17000115.3
454V29Very low27.8Very low129 Ų129117 Ų11778%0.78276%0.755SS**  5112850.3-34.80000113
455S24.9Very low28Very low96 Ų96118.2 Ų118.267%0.67176%0.759SS**  cis-137.4146.211.3-50.10000108.7
456T24.6Very low28Very low126 Ų126117.4 Ų117.477%0.77377%0.766SS**  40.3133.768.2550000114.7
457S25.5Very low28.1Very low90 Ų90115 Ų11563%0.62977%0.766SS**  cis-175.5178.6-11.645.30000108.4
458L27.8Very low28.4Very low165 Ų165116.7 Ų116.786%0.86477%0.773SS**  trans71.2168.5164.1-55.7166.5000116.5
459S24.6Very low28.5Very low108 Ų108117 Ų11776%0.75578%0.775SS**  cis176.9131.6-40.6-177.50000108.4
460G24.3Very low28.6Very low70 Ų70118.9 Ų118.972%0.72277%0.771SS**  trans71.1163.4-178.100000113.3
461S29.6Very low28.8Very low112 Ų112121.2 Ų121.278%0.78377%0.767SS**  cis-137.3158-6.8-780000108.4
462K28.3Very low28.9Very low192 Ų192120.2 Ų120.284%0.83575%0.752SS**  23.9141.3102.8-49.2-173.2172.9-177.20115.1
463E26.8Very low29.1Very low181 Ų181122.1 Ų122.185%0.84675%0.748SS**  cis-149.5167.337.9-69.9175.2123.200114.8
464S32.8Very low29.2Very low126 Ų126124.7 Ų124.788%0.88175%0.749SS**  trans67.4142165.6-102.80000119.1
465S30.3Very low29.2Very low113 Ų113123.1 Ų123.179%0.7974%0.744SS**  cis-155.3159.9163.20000112.9
466G27.6Very low29.7Very low83 Ų83128.7 Ų128.786%0.85675%0.75SS**  trans98.9124.7152.700000119.4
467G29.7Very low30Very low75 Ų75128.5 Ų128.577%0.77375%0.745SS**  trans114.989150.600000118.9
468T32.3Very low30.3Very low132 Ų132128.8 Ų128.881%0.8175%0.746SS**  trans34.4109.7150.154.10000119.3
469S29.9Very low30.5Very low108 Ų108130.1 Ų130.176%0.75575%0.748SS**  65.4129.568.7-57.60000114.2
470Q31.7Very low31Very low151 Ų151133.2 Ų133.271%0.70676%0.755SS**  cis-164.5140.4-2.8-135.1178.2-20.300111.1
471Q30.3Very low31.4Very low140 Ų140133.3 Ų133.365%0.65476%0.757SS**  trans55.4152.3140.5-77.8-175.9-82.700121
472D31.6Very low32.6Very low98 Ų98134.1 Ų134.152%0.52476%0.759SS.*  cis-165.7172.215.2-135.9-1.8000116.2
473K36.1Very low33.2Very low132 Ų132129.3 Ų129.357%0.57476%0.755SS**  trans84.4118.5140.8-78.2173.2176.895.30125.5
474Y35.3Very low34.1Very low192 Ų192127 Ų12775%0.75376%0.756SS**  trans62.3153.1131.7-55.8-29.8000120.7
475S30.1Very low34.1Very low96 Ų96124.9 Ų124.967%0.67175%0.754SS**  cis-153.4140.8-19.2-98.10000106.5
476R33.8Very low34.3Very low213 Ų213127.5 Ų127.580%0.80476%0.758SS**  69.4128.372.3-139.1-166.3-170.8-158.16.8114.3
477D32.5Very low34.7Very low122 Ų122134 Ų13465%0.65276%0.757SS**  trans75.6153.8161.2-64.1-50000121.2
478S31.7Very low34.9Very low95 Ų95134.4 Ų134.466%0.66475%0.753SS**  cis177.3113.5-37.8-96.10000109.4
479Q31.9Very low35Very low194 Ų194138.1 Ų138.191%0.90775%0.752SS**  trans-171.1127.3143.4-110.9166.8-2.600116.2
480L34.9Very low35.2Very low172 Ų172137.5 Ų137.590%0.90175%0.748SS**  trans-19.8150.1149.5-43171.1000115.7
481G32.7Very low35.4Very low73 Ų73137.1 Ų137.175%0.75375%0.746SS**  cis150.7-173.75.800000109.1
482P53.8Low35.7Very low128 Ų128135.1 Ų135.183%0.83175%0.747SS**  cis-131.9-174.1-21.642.3-26.4000114
483A40.9Very low35.9Very low91 Ų91136.9 Ų136.975%0.75276%0.762SS**  trans75.8168.2161.100000117.9
484P45.1Very low36.6Very low133 Ų133136.1 Ų136.186%0.86477%0.77SS**  -130.7152.4-84.336.5-20.6000115.7
485G33.4Very low36.7Very low82 Ų82135 Ų13585%0.84578%0.776SS**  trans-162.8105.2177.200000115.4
486L35.8Very low37.3Very low167 Ų167135.7 Ų135.787%0.87478%0.779SS**  trans-84.6157.9173.3-69172.6000110.5
487R35.2Very low37.8Very low220 Ų220131.9 Ų131.983%0.8378%0.781SS**  cis-174.8137.3-6.7158.8-179.3-171.3156.93.1110.9
488A34.7Very low38Very low83 Ų83131.5 Ų131.569%0.68679%0.788SS**  trans61.2151.2162.100000117.4
489R33.2Very low38.1Very low210 Ų210131.6 Ų131.679%0.79279%0.789SS**  cis66.712931.3-56.9-179.972.1163.2-0.6111.4
490S35.3Very low38.1Very low96 Ų96131.6 Ų131.667%0.67179%0.786SS**  -171.3145.455.744.50000114.5
491H35.9Very low37.9Very low143 Ų143128.5 Ų128.566%0.66278%0.779SS**  trans46.7153131.4-48.5-48.3000123
492S35Very low37.8Very low97 Ų97131.4 Ų131.468%0.67878%0.782SS**  cis170.2163.1-33.7-91.10000110.2
493T36.2Very low36.7Very low136 Ų136130 Ų13083%0.83478%0.775SS**  trans83.3160.8161.7790000119
494P51Low37.1Very low116 Ų116131.3 Ų131.375%0.75378%0.776SS**  cis-127.7171.3-6.338.6-23000116
495L36.7Very low36.4Very low167 Ų167133.8 Ų133.887%0.87477%0.774SS**  trans-146.4164.2158.5-95.7-178000109.1
496P43.5Very low36.3Very low111 Ų111134.7 Ų134.772%0.72177%0.767SS**PPolyproline II helixtrans-75.8166-155.328.3-36.2000117
497P44.7Very low36.2Very low133 Ų133133.8 Ų133.886%0.86476%0.758SS**PPolyproline II helixtrans-78.6156.3-167.531.4-37.3000115.6
498S35.7Very low36Very low114 Ų114131.7 Ų131.780%0.79776%0.757SS**PPolyproline II helixtrans-94.9167.3176.2-179.60000112.5
499S35.2Very low36.1Very low97 Ų97136.2 Ų136.268%0.67876%0.764SS**  trans-144.8114.7164.7-89.30000113.7
500K31.2Very low36.1Very low194 Ų194135 Ų13584%0.84377%0.767SS**  trans59112.1140-52.1169.7-172.3176.90117.9
501S30.2Very low36.2Very low108 Ų108139.1 Ų139.176%0.75578%0.775SS**  172.9123.290-1680000113.8
502T31Very low36.5Very low134 Ų134138.3 Ų138.382%0.82278%0.783SS**  trans51.2150.9150-1480000122.8
503S31.3Very low36.7Very low98 Ų98142.2 Ų142.269%0.68579%0.79SS**  trans-148.1150.2173.4174.10000107.6
504P49.7Very low36.6Very low119 Ų119144.9 Ų144.977%0.77379%0.793SS**  -144.1133.5117.832.9-16.7000115.9
505F29.4Very low35.9Very low185 Ų185150 Ų15081%0.81180%0.797SS**  48.4108.1127.4-123.8-106.2000119.9
506S31.1Very low36Very low100 Ų100147.9 Ų147.970%0.69979%0.793SS**  163.3172.590.4-155.70000113.7
507H34.5Very low35.6Very low149 Ų149147.2 Ų147.269%0.6979%0.791SS**  trans-70.2145.7-169.8-61.2-102.3000115.5
508H31.5Very low35Very low176 Ų176148.4 Ų148.482%0.81579%0.785SS**  179.7154.395.3-98.4-78000113.3
509H36.7Very low35Very low177 Ų177152.4 Ų152.482%0.81978%0.784SS**  trans-87.2139.8171.5-61.3-85.1000111.5
510H32.2Very low35Very low185 Ų185155.6 Ų155.686%0.85679%0.787SS**  trans-150.9156.9149.8-85.3-54.7000112.4
511H37.1Very low35.2Very low182 Ų182153.5 Ų153.584%0.84378%0.78SS**  trans-83.2152.5-177.7-58.5-94.9000112.9
512P42.5Very low35.4Very low127 Ų127159.3 Ų159.383%0.82579%0.788SS**  trans-10885.3160.936.4-27.8000112.1
513H38.6Very low35.6Very low178 Ų178164.4 Ų164.482%0.82479%0.792SS**  trans-119.3100.4151.4-89.4-36.4000108.4
514H33.9Very low35.7Very low193 Ų193167.8 Ų167.889%0.89479%0.794SS**  trans-168.5145.4135.6-101.6-67.2000110.7
515R37.3Very low35.1Very low222 Ų222168.1 Ų168.184%0.83880%0.796SS**  trans-113.2115.8175.9172.8-167.8-178.1-162.84.5108.6
516P39.6Very low35.3Very low123 Ų123165.1 Ų165.180%0.79979%0.789SS**  trans-73.1154.7163.9-19.234000111.9
517S35.1Very low35.4Very low97 Ų97172.2 Ų172.268%0.67880%0.8SS**  trans-142.491.3179.3171.20000111.2
518H31.8Very low35.3Very low158 Ų158168.4 Ų168.473%0.73180%0.802SS**  trans-160140.9158.3-109-85.5000106.7
519Y34.8Very low35.3Very low199 Ų199167.9 Ų167.978%0.7881%0.805SS**  cis79.158.621.3-126.3-70.3000115.8
520H36Very low35Very low163 Ų163164.9 Ų164.976%0.75580%0.804SS**  trans-117.3109.4154.3-70-82.4000107.6
521H35.3Very low35.7Very low150 Ų150162.1 Ų162.169%0.69480%0.802SS**  83.298.678.8-8985.8000113.2
522Y34.3Very low35.5Very low231 Ų231157.9 Ų157.991%0.90680%0.798SS**  trans-56.4139.6151.7-86.6-107.5000109.6
523R34.5Very low35.4Very low241 Ų241157.5 Ų157.591%0.90980%0.796SS**  trans-143.6158.9144.7-108.4-176.2-172.1-122.71.2110.5
524K33.5Very low35Very low168 Ų168155.3 Ų155.373%0.7380%0.795SS**  trans-73.7155-172.2-46.8171.1-178.1178.90111.7D526K524-D526 WeakPolarHBondContact CD-OD2 3.5Å; K524-D526 IonicContact NZ-OD2 3.13Å
525P38.5Very low35Very low127 Ų127155.5 Ų155.583%0.82579%0.793SS**  trans-79.5115.4146.732.7-26.5000109
526D32.5Very low34.7Very low122 Ų122150.6 Ų150.665%0.65279%0.793SS**  trans-118.1161.1160.4-92.6-57.6000108.2K524K524-D526 WeakPolarHBondContact CD-OD2 3.5Å; K524-D526 IonicContact NZ-OD2 3.13Å
527R34.1Very low34.2Very low248 Ų248149.8 Ų149.894%0.93679%0.79SS**  trans-60.2146.4-156.8-59.8170-177.7-178.1-1.9114.7
528G31.2Very low34.2Very low70 Ų70149.3 Ų149.372%0.72279%0.787SS**  trans-81-170-175.400000116.8
529D31.2Very low34.2Very low165 Ų165150.1 Ų150.188%0.88279%0.791SS**  trans-162.5135.1153.1-110.7-28.9000110.6
530S31.7Very low34Very low114 Ų114146 Ų14680%0.79779%0.791SS**  trans-173.6149.8160.2-83.20000109.1
531P47.2Very low33.8Very low127 Ų127142.7 Ų142.783%0.82579%0.787SS**  trans-88.8159.8-139.632.2-37.7000117
532A32.7Very low33.8Very low92 Ų92142.1 Ų142.176%0.7679%0.789SS**  trans-73.9159.8169.600000112.2
533P40.1Very low33.9Very low119 Ų119139.3 Ų139.377%0.77378%0.784SS**  -127.8171.185.240.3-32.1000111.7
534T29.1Very low33.8Very low132 Ų132131.8 Ų131.881%0.8177%0.774SS**  cis-144.9-172.231.650.60000112.6
535K34.8Very low33.8Very low197 Ų197129.5 Ų129.586%0.85777%0.774SS**  trans-137.3162.2172.2-93.7-171.9176.3-178.70111.7
536S31.2Very low33.5Very low120 Ų120129 Ų12984%0.83977%0.768SS**  trans72.8151.8174.682.60000115.2
537S29.8Very low33.6Very low105 Ų105131.2 Ų131.273%0.73477%0.774SS**  cis-152.31723.8-156.50000113.5
538S33.2Very low33.6Very low87 Ų87125.2 Ų125.261%0.60877%0.766SS**  trans58.4117.5147560000123.7
539Q33.1Very low33.7Very low175 Ų175130.9 Ų130.982%0.81877%0.773SS**  72141.4123.9-65.6174.9-26.400123.3
540S29.4Very low34Very low112 Ų112129 Ų12978%0.78377%0.768SS**  trans64.5153.5149.854.30000119.2
541S32Very low34Very low94 Ų94128.7 Ų128.766%0.65777%0.766SS**  cis-166.7-180-19.351.20000110
542N35.8Very low33.3Very low139 Ų139127.5 Ų127.574%0.74376%0.761SS**  trans10145.8138.7-51.8-18.8000118.6
543Q35.7Very low33.5Very low171 Ų171130 Ų13080%0.79977%0.767SS**  cis-169.71588.8-133.5-176.637.500109.9
544A33Very low33.3Very low84 Ų84128.1 Ų128.169%0.69477%0.768SS**  trans55-170.4154.600000115.6
545T33.3Very low34.2Very low120 Ų120131.1 Ų131.174%0.73677%0.77SS**  cis-147.5126.2-9.8-15.70000108.8
546V33.3Very low34.4Very low116 Ų116131 Ų13170%0.70377%0.773SS**  62.2154.3124.9173.40000121.7
547Q34.8Very low35Very low168 Ų168128.4 Ų128.479%0.78577%0.765SS**  trans76.184164.2-84.9160.341.400119.9
548T33.8Very low35.6Very low123 Ų123133.8 Ų133.876%0.75578%0.775SS**  7.9120.6114.8-36.30000118
549Q32.4Very low36Very low189 Ų189135.4 Ų135.488%0.88379%0.786SS**  -170.8172.9115.2-103.9169.9104.200113.4
550T37Very low36.2Very low126 Ų126133 Ų13377%0.77378%0.784SS**  trans-98.9142.2-166.852.10000113.6
551S31.9Very low36.9Very low107 Ų107133.1 Ų133.175%0.74878%0.784SS**  158158.4108.859.20000114.9
552S33.8Very low37.5Very low102 Ų102137.7 Ų137.771%0.71379%0.792SS**  trans74.1126.815872.90000121.2
553T37.1Very low38.2Very low145 Ų145138 Ų13889%0.8979%0.793SS**  trans53.7110.3151.255.80000121
554G34Very low39Very low78 Ų78138 Ų13880%0.80480%0.798SS**  trans-168.2152.1162.300000109.3
555K48.8Very low39.9Very low195 Ų195143.8 Ų143.885%0.84881%0.808SS**  trans-108.3170.9-176-70177.2-178.2170.30112.2
556E39.1Very low40.9Very low195 Ų195142.2 Ų142.291%0.91180%0.801SS**  trans86.9154.3145.594.1-150.8138.400122.3
557G44.7Very low41.8Very low65 Ų65142.4 Ų142.467%0.6780%0.798SS**  trans93.567.1151.100000120.2
558K41.3Very low43Very low218 Ų218142.9 Ų142.995%0.94880%0.798SS**  trans-154.2108.8147.7-104128.6-169.3169.60112.2
559S41.3Very low44.5Very low122 Ų122138.9 Ų138.985%0.85378%0.781SS**  trans-98.1166.4-174.548.10000113.3
560V38.7Very low45.8Very low125 Ų125135.6 Ų135.676%0.75877%0.766SS**  trans-91.7131.1-166176.60000112.8F562V560-F562 HydrophobicContact CG1-CB 4.15Å
561S43.4Very low46.8Very low114 Ų114138.6 Ų138.680%0.79776%0.763SS**  trans-118.746.9179.552.40000113.8
562F44.7Very low48.6Very low189 Ų189137 Ų13783%0.82975%0.746SS**  trans-124.211.9-172.7-104.9-86.3000116.2V560V560-F562 HydrophobicContact CG1-CB 4.15Å
563L51.1Low50.3Low145 Ų145138 Ų13876%0.75974%0.738SS**  trans-10922.7-161.7-112.5168.5000116.7
564L50.8Low52Low171 Ų171135.1 Ų135.190%0.89572%0.717SS**SBendtrans-124.518-171.3-90.4146.9000115.5
565K52Low53.9Low207 Ų207137.8 Ų137.890%0.970%0.703SS**SBendtrans-132.518.7-179.6-121.1149.870.3176.20115.6
566S54.4Low55.2Low86 Ų86132 Ų13260%0.60168%0.681SS**SBendtrans-97.5-44.2177.8-59.70000113.5K568 G569S566-K568 PolarHBondContact O-N 2.82Å; S566-G569 PolarHBondContact O-N 3.34Å
567D53.3Low56.9Low121 Ų121128.9 Ų128.965%0.64766%0.661SS**THydrogen-bonded Turntrans-44.4-50.6-173.4-88.5-109.6000115.6G569 E570 W571D567-G569 PolarHBondContact O-N 2.92Å; D567-E570 WeakPolarHBondContact O-CB 3.47Å; D567-E570 PolarHBondContact O-N 2.94Å; D567-W571 PolarHBondContact O-N 3.41Å
568K59.3Low58.8Low178 Ų178126.9 Ų126.977%0.77464%0.641SS**Hα-helixtrans-60.9-25.5-174.1-169.1172.4-179.2179.50112.4S566S566-K568 PolarHBondContact O-N 2.82Å
569G65.5Low60.7Low39 Ų39122.7 Ų122.740%0.40262%0.619SS.*Hα-helixtrans-83-9.1175.900000114.7S566 D567 K573S566-G569 PolarHBondContact O-N 3.34Å; D567-G569 PolarHBondContact O-N 2.92Å; G569-K573 PolarHBondContact O-NZ 3.19Å
570E60Low62.6Low119 Ų119120.9 Ų120.956%0.55660%0.6SS**Hα-helixtrans-92-45176.2-175.8154.3-140.700111.1D567 D572 K573 D574D567-E570 WeakPolarHBondContact O-CB 3.47Å; D567-E570 PolarHBondContact O-N 2.94Å; E570-D572 VanDerWaalsContact C-N 3.33Å; E570-D572 PolarHBondContact O-N 3.39Å; E570-K573 WeakPolarHBondContact O-CA 3.45Å; E570-K573 WeakPolarHBondContact O-CB 3.21Å; E570-K573 PolarHBondContact O-N 3.43Å; E570-D574 PolarHBondContact O-N 2.94Å; E570-D574 VanDerWaalsContact O-N 3.12Å
571W58.5Low64.6Low189 Ų189122.6 Ų122.672%0.71659%0.592SS**Hα-helixtrans-57.5-38.6-175.4-155.5-90.3000114.4D567 D574 R575D567-W571 PolarHBondContact O-N 3.41Å; W571-D574 PolarHBondContact O-N 2.98Å; W571-R575 WeakPolarHBondContact O-CB 3.25Å; W571-R575 PolarHBondContact O-N 2.83Å
572D68Low66.6Low75 Ų75120.7 Ų120.740%0.40157%0.573SS.*Hα-helixtrans-74.2-28175.9-79.2-41.6000113E570 R575 D576E570-D572 VanDerWaalsContact C-N 3.33Å; E570-D572 PolarHBondContact O-N 3.39Å; D572-R575 PolarHBondContact O-N 2.84Å; D572-R575 IonicContact OD1-CZ 3.86Å; D572-R575 IonicContact OD1-NH1 2.8Å; D572-R575 PolarHBondContact OD1-NH1 3Å; D572-D576 PolarHBondContact O-N 3.18Å
573K71.3Confident68.7Low122 Ų122116 Ų11653%0.5355%0.553SS.*Hα-helixtrans-67.9-37.5172.7-64.8-171-175.179.50111.6G569 E570 D576 R577G569-K573 PolarHBondContact O-NZ 3.19Å; E570-K573 WeakPolarHBondContact O-CA 3.45Å; E570-K573 WeakPolarHBondContact O-CB 3.21Å; E570-K573 PolarHBondContact O-N 3.43Å; K573-D576 PolarHBondContact O-N 3.28Å; K573-R577 WeakPolarHBondContact O-CD 3.37Å; K573-R577 VanDerWaalsContact O-CG 3.29Å; K573-R577 WeakPolarHBondContact O-CG 3.38Å; K573-R577 PolarHBondContact O-N 2.83Å
574D72.7Confident70.4Confident84 Ų84114.8 Ų114.845%0.44954%0.543SS..Hα-helixtrans-75.5-30.9176.1-80.8-6.5000112.8E570 W571 R577 G578E570-D574 PolarHBondContact O-N 2.94Å; E570-D574 VanDerWaalsContact O-N 3.12Å; W571-D574 PolarHBondContact O-N 2.98Å; D574-R577 PolarHBondContact O-N 3.44Å; D574-R577 VanDerWaalsContact OD1-CD 3.23Å; D574-R577 WeakPolarHBondContact OD1-CD 3.45Å; D574-R577 IonicContact OD1-CZ 2.65Å; D574-R577 IonicContact OD1-NE 2.67Å; D574-R577 IonicContact OD1-NH1 2.65Å; D574-R577 PolarHBondContact OD1-NH1 2.89Å; D574-G578 PolarHBondContact O-N 3.13Å
575R73.3Confident72.2Confident135 Ų135112.9 Ų112.951%0.50952%0.524SS..Hα-helixtrans-60.7-43.6166.9177.8178-81.3142.2-9.1111.9W571 D572 G578 R579W571-R575 WeakPolarHBondContact O-CB 3.25Å; W571-R575 PolarHBondContact O-N 2.83Å; D572-R575 PolarHBondContact O-N 2.84Å; D572-R575 IonicContact OD1-CZ 3.86Å; D572-R575 IonicContact OD1-NH1 2.8Å; D572-R575 PolarHBondContact OD1-NH1 3Å; R575-G578 PolarHBondContact O-N 3.31Å; R575-R579 WeakPolarHBondContact O-CB 3.4Å; R575-R579 PolarHBondContact O-N 2.85Å
576D75.7Confident73.9Confident74 Ų74106.7 Ų106.740%0.39650%0.501SS..Hα-helixtrans-69.8-40.1176-83.3-33.4000112.8D572 K573 G578 R579 D580D572-D576 PolarHBondContact O-N 3.18Å; K573-D576 PolarHBondContact O-N 3.28Å; D576-G578 VanDerWaalsContact C-N 3.3Å; D576-G578 PolarHBondContact O-N 2.94Å; D576-R579 WeakPolarHBondContact O-CB 3.35Å; D576-R579 PolarHBondContact O-N 3.48Å; D576-R579 IonicContact OD1-CZ 3.65Å; D576-R579 IonicContact OD1-NH1 2.66Å; D576-R579 PolarHBondContact OD1-NH1 3.43Å; D576-D580 PolarHBondContact O-N 3.36Å
577R75.1Confident75.5Confident128 Ų128109.6 Ų109.648%0.48350%0.498SS..Hα-helixtrans-59.7-38.4171.2-73.5161.9175.3155.7-3.2112.5K573 D574 R581K573-R577 WeakPolarHBondContact O-CD 3.37Å; K573-R577 VanDerWaalsContact O-CG 3.29Å; K573-R577 WeakPolarHBondContact O-CG 3.38Å; K573-R577 PolarHBondContact O-N 2.83Å; D574-R577 PolarHBondContact O-N 3.44Å; D574-R577 VanDerWaalsContact OD1-CD 3.23Å; D574-R577 WeakPolarHBondContact OD1-CD 3.45Å; D574-R577 IonicContact OD1-CZ 2.65Å; D574-R577 IonicContact OD1-NE 2.67Å; D574-R577 IonicContact OD1-NH1 2.65Å; D574-R577 PolarHBondContact OD1-NH1 2.89Å; R577-R581 VanDerWaalsContact O-CG 3.3Å; R577-R581 WeakPolarHBondContact O-CG 3.37Å; R577-R581 PolarHBondContact O-N 2.98Å
578G84.1Confident77.1Confident24 Ų24107 Ų10725%0.24748%0.484CS..Hα-helixtrans-60.9-51.6172.200000111.4D574 R575 D576 D580 R581 D582D574-G578 PolarHBondContact O-N 3.13Å; R575-G578 PolarHBondContact O-N 3.31Å; D576-G578 VanDerWaalsContact C-N 3.3Å; D576-G578 PolarHBondContact O-N 2.94Å; G578-D580 VanDerWaalsContact C-N 3.29Å; G578-D580 PolarHBondContact O-N 3.47Å; G578-R581 PolarHBondContact O-N 3.33Å; G578-D582 PolarHBondContact O-N 2.95Å
579R80.8Confident78.6Confident130 Ų130102.7 Ų102.749%0.49147%0.466SS..Hα-helixtrans-57.7-36.7177.7-177.6-176.2-74.4146.8-10.7113R575 D576 K583R575-R579 WeakPolarHBondContact O-CB 3.4Å; R575-R579 PolarHBondContact O-N 2.85Å; D576-R579 WeakPolarHBondContact O-CB 3.35Å; D576-R579 PolarHBondContact O-N 3.48Å; D576-R579 IonicContact OD1-CZ 3.65Å; D576-R579 IonicContact OD1-NH1 2.66Å; D576-R579 PolarHBondContact OD1-NH1 3.43Å; R579-K583 WeakPolarHBondContact O-CG 3.46Å; R579-K583 PolarHBondContact O-N 3.38Å; R579-K583 VanDerWaalsContact O-N 3.15Å
580D81.6Confident79.7Confident84 Ų84104.4 Ų104.445%0.44947%0.465SS..Hα-helixtrans-76.2-36.7177.2-77.3-19.9000113.3D576 G578 D582 K583 E584D576-D580 PolarHBondContact O-N 3.36Å; G578-D580 VanDerWaalsContact C-N 3.29Å; G578-D580 PolarHBondContact O-N 3.47Å; D580-D582 VanDerWaalsContact C-N 3.28Å; D580-D582 PolarHBondContact O-N 3.32Å; D580-K583 PolarHBondContact O-N 2.96Å; D580-K583 WeakPolarHBondContact OD1-CD 3.29Å; D580-K583 WeakPolarHBondContact OD1-CE 3.37Å; D580-K583 IonicContact OD1-NZ 3.61Å; D580-K583 PolarHBondContact OD1-NZ 3.27Å; D580-E584 WeakPolarHBondContact O-CB 3.25Å; D580-E584 PolarHBondContact O-N 3.37Å
581R82.1Confident81.2Confident160 Ų160104.3 Ų104.360%0.60446%0.463SS*.Hα-helixtrans-62-35.2169.5-73.1168.6178.1159-1112.4R577 G578 E584 R585R577-R581 VanDerWaalsContact O-CG 3.3Å; R577-R581 WeakPolarHBondContact O-CG 3.37Å; R577-R581 PolarHBondContact O-N 2.98Å; G578-R581 PolarHBondContact O-N 3.33Å; R581-E584 PolarHBondContact O-N 3.38Å; R581-R585 WeakPolarHBondContact O-CB 3.36Å; R581-R585 PolarHBondContact O-N 3.35Å
582D85.1Confident82.6Confident74 Ų7499.1 Ų99.140%0.39645%0.449SS..Hα-helixtrans-70.5-42.4176.6-68.2-25.8000111.2G578 D580 E584 R585 D586G578-D582 PolarHBondContact O-N 2.95Å; D580-D582 VanDerWaalsContact C-N 3.28Å; D580-D582 PolarHBondContact O-N 3.32Å; D582-E584 VanDerWaalsContact C-N 3.28Å; D582-E584 PolarHBondContact O-N 2.72Å; D582-R585 PolarHBondContact O-N 3.47Å; D582-R585 IonicContact OD1-CZ 3.71Å; D582-R585 IonicContact OD1-NH1 3.86Å; D582-R585 PolarHBondContact OD1-NH1 2.65Å; D582-R585 IonicContact OD1-NH2 2.68Å; D582-R585 PolarHBondContact OD1-NH2 3.14Å; D582-D586 PolarHBondContact O-N 3.42Å
583K87.8Confident83.6Confident92 Ų92102 Ų10240%0.446%0.455SS..Hα-helixtrans-59.9-35.8170.1-67.1168-164159.50112.8R579 D580 R587R579-K583 WeakPolarHBondContact O-CG 3.46Å; R579-K583 PolarHBondContact O-N 3.38Å; R579-K583 VanDerWaalsContact O-N 3.15Å; D580-K583 PolarHBondContact O-N 2.96Å; D580-K583 WeakPolarHBondContact OD1-CD 3.29Å; D580-K583 WeakPolarHBondContact OD1-CE 3.37Å; D580-K583 IonicContact OD1-NZ 3.61Å; D580-K583 PolarHBondContact OD1-NZ 3.27Å; K583-R587 WeakPolarHBondContact O-CG 3.47Å; K583-R587 PolarHBondContact O-N 3.23Å; K583-R587 VanDerWaalsContact O-N 3.14Å; K583-R587 PolarHBondContact O-NH1 2.65Å
584E86.6Confident84.5Confident118 Ų11899.8 Ų99.855%0.55145%0.449SS*.Hα-helixtrans-65.8-51.2175.3-176168-131.700110.6D580 R581 D582 D586 R587 D588D580-E584 WeakPolarHBondContact O-CB 3.25Å; D580-E584 PolarHBondContact O-N 3.37Å; R581-E584 PolarHBondContact O-N 3.38Å; D582-E584 VanDerWaalsContact C-N 3.28Å; D582-E584 PolarHBondContact O-N 2.72Å; E584-D586 VanDerWaalsContact C-N 3.26Å; E584-D586 PolarHBondContact O-N 2.97Å; E584-R587 PolarHBondContact O-N 3.01Å; E584-R587 VanDerWaalsContact O-N 3.11Å; E584-D588 PolarHBondContact O-N 3.46Å
585R87.9Confident85.3Confident132 Ų132102.3 Ų102.350%0.49845%0.452SS..Hα-helixtrans-59.3-34.2176.8-160.3-172.9-56.6110.76.2113.1R581 D582 K589R581-R585 WeakPolarHBondContact O-CB 3.36Å; R581-R585 PolarHBondContact O-N 3.35Å; D582-R585 PolarHBondContact O-N 3.47Å; D582-R585 IonicContact OD1-CZ 3.71Å; D582-R585 IonicContact OD1-NH1 3.86Å; D582-R585 PolarHBondContact OD1-NH1 2.65Å; D582-R585 IonicContact OD1-NH2 2.68Å; D582-R585 PolarHBondContact OD1-NH2 3.14Å; R585-K589 WeakPolarHBondContact O-CG 3.39Å; R585-K589 PolarHBondContact O-N 3.19Å
586D88.8Confident86.1Confident77 Ų7799.5 Ų99.541%0.41245%0.447SS..Hα-helixtrans-72.7-40175.6-75.2-22.6000112.6D582 E584 D588 K589 D590D582-D586 PolarHBondContact O-N 3.42Å; E584-D586 VanDerWaalsContact C-N 3.26Å; E584-D586 PolarHBondContact O-N 2.97Å; D586-D588 VanDerWaalsContact C-N 3.26Å; D586-D588 PolarHBondContact O-N 2.93Å; D586-K589 WeakPolarHBondContact O-CB 3.45Å; D586-K589 PolarHBondContact O-N 2.87Å; D586-K589 WeakPolarHBondContact OD1-CE 3.18Å; D586-K589 IonicContact OD1-NZ 4Å; D586-K589 PolarHBondContact OD1-NZ 2.68Å; D586-D590 PolarHBondContact O-N 2.74Å
587R87.1Confident86.9Confident147 Ų147100.4 Ų100.456%0.55545%0.447SS*.Hα-helixtrans-60.6-35.6171.3-71.7180-162.8103.8-11.8112.4K583 E584 D590 K591K583-R587 WeakPolarHBondContact O-CG 3.47Å; K583-R587 PolarHBondContact O-N 3.23Å; K583-R587 VanDerWaalsContact O-N 3.14Å; K583-R587 PolarHBondContact O-NH1 2.65Å; E584-R587 PolarHBondContact O-N 3.01Å; E584-R587 VanDerWaalsContact O-N 3.11Å; R587-D590 PolarHBondContact O-N 3.5Å; R587-K591 WeakPolarHBondContact O-CG 3.48Å; R587-K591 PolarHBondContact O-N 3.12Å
588D88.7Confident87.6Confident65 Ų6598.5 Ų98.535%0.34845%0.447SS..Hα-helixtrans-69.9-40177.3-70.6-26.3000112.2E584 D586 D590 K591 D592E584-D588 PolarHBondContact O-N 3.46Å; D586-D588 VanDerWaalsContact C-N 3.26Å; D586-D588 PolarHBondContact O-N 2.93Å; D588-D590 PolarHBondContact O-N 3.21Å; D588-K591 PolarHBondContact O-N 3.09Å; D588-K591 WeakPolarHBondContact OD1-CE 3.41Å; D588-K591 IonicContact OD1-NZ 3.73Å; D588-K591 PolarHBondContact OD1-NZ 2.88Å; D588-D592 PolarHBondContact O-N 3.46Å
589K90.1Very high88Confident88 Ų88101.6 Ų101.638%0.38345%0.454SS..Hα-helixtrans-57.8-38.3169.7-66.2166.1-161.21660112R585 D586 D592 R593R585-K589 WeakPolarHBondContact O-CG 3.39Å; R585-K589 PolarHBondContact O-N 3.19Å; D586-K589 WeakPolarHBondContact O-CB 3.45Å; D586-K589 PolarHBondContact O-N 2.87Å; D586-K589 WeakPolarHBondContact OD1-CE 3.18Å; D586-K589 IonicContact OD1-NZ 4Å; D586-K589 PolarHBondContact OD1-NZ 2.68Å; K589-D592 PolarHBondContact O-N 3.39Å; K589-R593 WeakPolarHBondContact O-CB 3.33Å; K589-R593 WeakPolarHBondContact O-CD 3.36Å; K589-R593 WeakPolarHBondContact O-CG 3.35Å; K589-R593 PolarHBondContact O-N 3.43Å
590D89.1Confident88.5Confident75 Ų7599 Ų9940%0.40145%0.449SS..Hα-helixtrans-70.8-40.3178.5-72.5-28.3000112.5D586 R587 D588 D592 R593 D594D586-D590 PolarHBondContact O-N 2.74Å; R587-D590 PolarHBondContact O-N 3.5Å; D588-D590 PolarHBondContact O-N 3.21Å; D590-D592 VanDerWaalsContact C-N 3.3Å; D590-D592 PolarHBondContact O-N 2.84Å; D590-R593 PolarHBondContact O-N 3.45Å; D590-R593 IonicContact OD1-CZ 2.65Å; D590-R593 IonicContact OD1-NH1 3.68Å; D590-R593 PolarHBondContact OD1-NH1 2.88Å; D590-D594 PolarHBondContact O-N 3.39Å
591K90.1Very high88.9Confident118 Ų118100.4 Ų100.451%0.51345%0.448SS..Hα-helixtrans-57.7-42.2170.3-66.7167-161.41660111.9R587 D588 D594 R595R587-K591 WeakPolarHBondContact O-CG 3.48Å; R587-K591 PolarHBondContact O-N 3.12Å; D588-K591 PolarHBondContact O-N 3.09Å; D588-K591 WeakPolarHBondContact OD1-CE 3.41Å; D588-K591 IonicContact OD1-NZ 3.73Å; D588-K591 PolarHBondContact OD1-NZ 2.88Å; K591-D594 PolarHBondContact O-N 2.96Å; K591-R595 VanDerWaalsContact O-CB 3.31Å; K591-R595 WeakPolarHBondContact O-CB 3.47Å; K591-R595 PolarHBondContact O-N 3.24Å
592D89.4Confident89.4Confident79 Ų7999 Ų9942%0.42245%0.449SS..Hα-helixtrans-69.9-40.1178.6-78-28.5000112.1D588 K589 D590 D594 R595 D596D588-D592 PolarHBondContact O-N 3.46Å; K589-D592 PolarHBondContact O-N 3.39Å; D590-D592 VanDerWaalsContact C-N 3.3Å; D590-D592 PolarHBondContact O-N 2.84Å; D592-D594 VanDerWaalsContact C-N 3.34Å; D592-D594 PolarHBondContact O-N 3.31Å; D592-R595 PolarHBondContact O-N 2.8Å; D592-R595 IonicContact OD1-CZ 2.71Å; D592-R595 IonicContact OD1-NH1 3.14Å; D592-R595 PolarHBondContact OD1-NH1 3.27Å; D592-D596 PolarHBondContact O-N 2.87Å
593R88.8Confident89.7Confident135 Ų135100.3 Ų100.351%0.50945%0.448SS..Hα-helixtrans-58.9-42.8171.4-73.9162.4178.9152.4-0.5112.2K589 D590 D596 K597K589-R593 WeakPolarHBondContact O-CB 3.33Å; K589-R593 WeakPolarHBondContact O-CD 3.36Å; K589-R593 WeakPolarHBondContact O-CG 3.35Å; K589-R593 PolarHBondContact O-N 3.43Å; D590-R593 PolarHBondContact O-N 3.45Å; D590-R593 IonicContact OD1-CZ 2.65Å; D590-R593 IonicContact OD1-NH1 3.68Å; D590-R593 PolarHBondContact OD1-NH1 2.88Å; R593-D596 PolarHBondContact O-N 2.96Å; R593-K597 VanDerWaalsContact O-CG 3.28Å; R593-K597 WeakPolarHBondContact O-CG 3.49Å; R593-K597 PolarHBondContact O-N 2.93Å
594D89.8Confident89.9Confident77 Ų7799.1 Ų99.141%0.41245%0.446SS..Hα-helixtrans-70.1-40.4178.7-75.1-23.7000111.8D590 K591 D592 D596 K597 D598D590-D594 PolarHBondContact O-N 3.39Å; K591-D594 PolarHBondContact O-N 2.96Å; D592-D594 VanDerWaalsContact C-N 3.34Å; D592-D594 PolarHBondContact O-N 3.31Å; D594-D596 VanDerWaalsContact C-N 3.29Å; D594-D596 PolarHBondContact O-N 2.85Å; D594-K597 PolarHBondContact O-N 3.47Å; D594-K597 WeakPolarHBondContact OD1-CE 3.49Å; D594-K597 IonicContact OD1-NZ 3.05Å; D594-K597 PolarHBondContact OD1-NZ 2.99Å; D594-D598 PolarHBondContact O-N 3.4Å
595R89.4Confident90.1Very high137 Ų13799.9 Ų99.952%0.51744%0.444SS..Hα-helixtrans-58.7-38.7171.2179.7-177.9-71.8128.3-3.6112.3K591 D592 D598 K599K591-R595 VanDerWaalsContact O-CB 3.31Å; K591-R595 WeakPolarHBondContact O-CB 3.47Å; K591-R595 PolarHBondContact O-N 3.24Å; D592-R595 PolarHBondContact O-N 2.8Å; D592-R595 IonicContact OD1-CZ 2.71Å; D592-R595 IonicContact OD1-NH1 3.14Å; D592-R595 PolarHBondContact OD1-NH1 3.27Å; R595-D598 PolarHBondContact O-N 2.91Å; R595-K599 WeakPolarHBondContact O-CG 3.46Å; R595-K599 PolarHBondContact O-N 3.33Å; R595-K599 VanDerWaalsContact O-N 3.12Å
596D90.4Very high90.2Very high75 Ų7598.7 Ų98.740%0.40144%0.444SS..Hα-helixtrans-72.6-39.8176.9-76-16.9000112.5D592 R593 D594 D598 K599 D600D592-D596 PolarHBondContact O-N 2.87Å; R593-D596 PolarHBondContact O-N 2.96Å; D594-D596 VanDerWaalsContact C-N 3.29Å; D594-D596 PolarHBondContact O-N 2.85Å; D596-D598 PolarHBondContact O-N 3.21Å; D596-K599 PolarHBondContact O-N 3.13Å; D596-K599 WeakPolarHBondContact OD1-CE 3.23Å; D596-K599 IonicContact OD1-NZ 3.73Å; D596-K599 PolarHBondContact OD1-NZ 3.2Å; D596-D600 PolarHBondContact O-N 3.29Å
597K91.6Very high90.2Very high93 Ų93100.1 Ų100.140%0.40444%0.444SS..Hα-helixtrans-57.1-37.7169.8-67.9165.4-155.3164.90111.9R593 D594 D600 R601R593-K597 VanDerWaalsContact O-CG 3.28Å; R593-K597 WeakPolarHBondContact O-CG 3.49Å; R593-K597 PolarHBondContact O-N 2.93Å; D594-K597 PolarHBondContact O-N 3.47Å; D594-K597 WeakPolarHBondContact OD1-CE 3.49Å; D594-K597 IonicContact OD1-NZ 3.05Å; D594-K597 PolarHBondContact OD1-NZ 2.99Å; K597-D600 PolarHBondContact O-N 3.42Å; K597-R601 WeakPolarHBondContact O-CD 3.21Å; K597-R601 VanDerWaalsContact O-CG 3.23Å; K597-R601 WeakPolarHBondContact O-CG 3.44Å; K597-R601 PolarHBondContact O-N 3.33Å
598D90.5Very high90.2Very high89 Ų8996.2 Ų96.248%0.47643%0.434SS..Hα-helixtrans-72.1-37.1178.5-75.9-23.5000112.7D594 R595 D596 D600 R601 E602D594-D598 PolarHBondContact O-N 3.4Å; R595-D598 PolarHBondContact O-N 2.91Å; D596-D598 PolarHBondContact O-N 3.21Å; D598-D600 VanDerWaalsContact C-N 3.32Å; D598-D600 PolarHBondContact O-N 3.26Å; D598-R601 PolarHBondContact O-N 2.86Å; D598-R601 IonicContact OD1-CZ 2.75Å; D598-R601 IonicContact OD1-NH1 3.79Å; D598-R601 PolarHBondContact OD1-NH1 3.21Å; D598-E602 WeakPolarHBondContact O-CB 3.29Å; D598-E602 PolarHBondContact O-N 3.28Å
599K91.8Very high90Very high89 Ų89100.3 Ų100.339%0.38744%0.444SS..Hα-helixtrans-63-36.3168.2-64.2167.7-167159.90112.4R595 D596 E602 R603R595-K599 WeakPolarHBondContact O-CG 3.46Å; R595-K599 PolarHBondContact O-N 3.33Å; R595-K599 VanDerWaalsContact O-N 3.12Å; D596-K599 PolarHBondContact O-N 3.13Å; D596-K599 WeakPolarHBondContact OD1-CE 3.23Å; D596-K599 IonicContact OD1-NZ 3.73Å; D596-K599 PolarHBondContact OD1-NZ 3.2Å; K599-E602 PolarHBondContact O-N 2.94Å; K599-R603 PolarHBondContact O-N 2.75Å; K599-R603 PolarHBondContact O-NE 3.01Å; K599-R603 PolarHBondContact O-NH2 2.96Å
600D91.9Very high89.6Confident74 Ų7499.6 Ų99.640%0.39645%0.445SS..Hα-helixtrans-65.2-49.1176.2-73.8-22.5000110.2D596 K597 D598 E602 R603 D604D596-D600 PolarHBondContact O-N 3.29Å; K597-D600 PolarHBondContact O-N 3.42Å; D598-D600 VanDerWaalsContact C-N 3.32Å; D598-D600 PolarHBondContact O-N 3.26Å; D600-E602 PolarHBondContact O-N 2.88Å; D600-R603 CarbonylContact O-C 3.52Å; D600-R603 PolarHBondContact O-N 3.15Å; D600-R603 IonicContact OD1-CZ 3.13Å; D600-R603 IonicContact OD1-NH1 2.7Å; D600-R603 PolarHBondContact OD1-NH1 3.44Å; D600-R603 IonicContact OD1-NH2 2.72Å; D600-R603 PolarHBondContact OD1-NH2 2.92Å; D600-D604 VanDerWaalsContact O-CG 3.27Å; D600-D604 PolarHBondContact O-N 3.07Å
601R90.9Very high89.2Confident115 Ų115102.8 Ų102.843%0.43445%0.451SS..Hα-helixtrans-60.9-30173.3-67163.3-178.3141.81.4113.2K597 D598 R605K597-R601 WeakPolarHBondContact O-CD 3.21Å; K597-R601 VanDerWaalsContact O-CG 3.23Å; K597-R601 WeakPolarHBondContact O-CG 3.44Å; K597-R601 PolarHBondContact O-N 3.33Å; D598-R601 PolarHBondContact O-N 2.86Å; D598-R601 IonicContact OD1-CZ 2.75Å; D598-R601 IonicContact OD1-NH1 3.79Å; D598-R601 PolarHBondContact OD1-NH1 3.21Å; R601-R605 VanDerWaalsContact C-NH1 3.26Å; R601-R605 WeakPolarHBondContact O-CG 3.31Å; R601-R605 PolarHBondContact O-N 3.21Å; R601-R605 PolarHBondContact O-NH1 2.91Å
602E92.5Very high88.5Confident130 Ų130103.2 Ų103.261%0.60746%0.459SS*.Hα-helixtrans-69.4-49.7173.9-175.8168-134.900110.8D598 K599 D600 D604 R605 E606D598-E602 WeakPolarHBondContact O-CB 3.29Å; D598-E602 PolarHBondContact O-N 3.28Å; K599-E602 PolarHBondContact O-N 2.94Å; D600-E602 PolarHBondContact O-N 2.88Å; E602-D604 VanDerWaalsContact C-N 3.27Å; E602-D604 PolarHBondContact O-N 3.43Å; E602-R605 PolarHBondContact O-N 2.97Å; E602-E606 PolarHBondContact O-N 3.29Å
603R91.5Very high87.9Confident101 Ų101108.9 Ų108.938%0.38147%0.474SS..Hα-helixtrans-65.1-25.2174.3-80.2177.9-84.3106.20.4113.8K599 D600 R607K599-R603 PolarHBondContact O-N 2.75Å; K599-R603 PolarHBondContact O-NE 3.01Å; K599-R603 PolarHBondContact O-NH2 2.96Å; D600-R603 CarbonylContact O-C 3.52Å; D600-R603 PolarHBondContact O-N 3.15Å; D600-R603 IonicContact OD1-CZ 3.13Å; D600-R603 IonicContact OD1-NH1 2.7Å; D600-R603 PolarHBondContact OD1-NH1 3.44Å; D600-R603 IonicContact OD1-NH2 2.72Å; D600-R603 PolarHBondContact OD1-NH2 2.92Å; R603-R607 PolarHBondContact O-N 2.89Å; R603-R607 VanDerWaalsContact O-N 3.16Å; R603-R607 PolarHBondContact O-NE 3.23Å; R603-R607 PolarHBondContact O-NH2 2.92Å; R603-R607 VanDerWaalsContact O-NH2 3.12Å
604D91.4Very high86.9Confident68 Ų68108.9 Ų108.936%0.36448%0.48SS..Hα-helixtrans-69.7-50.8170.9-70.7-24.7000110.1D600 E602 E606 R607 D608D600-D604 VanDerWaalsContact O-CG 3.27Å; D600-D604 PolarHBondContact O-N 3.07Å; E602-D604 VanDerWaalsContact C-N 3.27Å; E602-D604 PolarHBondContact O-N 3.43Å; D604-E606 PolarHBondContact O-N 3.42Å; D604-R607 CarbonylContact O-C 3.34Å; D604-R607 PolarHBondContact O-N 3.3Å; D604-R607 VanDerWaalsContact O-N 3.11Å; D604-R607 IonicContact OD1-CZ 3.23Å; D604-R607 IonicContact OD1-NH1 2.7Å; D604-R607 PolarHBondContact OD1-NH1 2.7Å; D604-R607 IonicContact OD1-NH2 2.7Å; D604-R607 PolarHBondContact OD1-NH2 3.45Å; D604-D608 PolarHBondContact O-N 3.25Å
605R89.8Confident85.4Confident134 Ų134108.2 Ų108.251%0.50649%0.491SS..Hα-helixtrans-63.1-27.3174.3-66.9179.1-161.1100.8-14.9113.5R601 E602 R609R601-R605 VanDerWaalsContact C-NH1 3.26Å; R601-R605 WeakPolarHBondContact O-CG 3.31Å; R601-R605 PolarHBondContact O-N 3.21Å; R601-R605 PolarHBondContact O-NH1 2.91Å; E602-R605 PolarHBondContact O-N 2.97Å; R605-R609 VanDerWaalsContact C-NH1 3.25Å; R605-R609 WeakPolarHBondContact O-CG 3.32Å; R605-R609 PolarHBondContact O-N 3.4Å; R605-R609 PolarHBondContact O-NH1 3.01Å
606E90.6Very high84.3Confident107 Ų107103.4 Ų103.450%0.549%0.485SS..Hα-helixtrans-63.6-55.3170.2-171.9174.3-138.100109.8E602 D604 D608 R609 D610E602-E606 PolarHBondContact O-N 3.29Å; D604-E606 PolarHBondContact O-N 3.42Å; E606-D608 PolarHBondContact O-N 3.37Å; E606-R609 PolarHBondContact O-N 2.96Å; E606-R609 VanDerWaalsContact O-N 3.1Å; E606-D610 PolarHBondContact O-N 3.48Å
607R88.9Confident82.3Confident107 Ų107106.1 Ų106.140%0.40451%0.506SS..Hα-helixtrans-61.7-26.3175.3-82174.8-84115-0.5114.5R603 D604 R611R603-R607 PolarHBondContact O-N 2.89Å; R603-R607 VanDerWaalsContact O-N 3.16Å; R603-R607 PolarHBondContact O-NE 3.23Å; R603-R607 PolarHBondContact O-NH2 2.92Å; R603-R607 VanDerWaalsContact O-NH2 3.12Å; D604-R607 CarbonylContact O-C 3.34Å; D604-R607 PolarHBondContact O-N 3.3Å; D604-R607 VanDerWaalsContact O-N 3.11Å; D604-R607 IonicContact OD1-CZ 3.23Å; D604-R607 IonicContact OD1-NH1 2.7Å; D604-R607 PolarHBondContact OD1-NH1 2.7Å; D604-R607 IonicContact OD1-NH2 2.7Å; D604-R607 PolarHBondContact OD1-NH2 3.45Å; R607-R611 WeakPolarHBondContact O-CG 3.38Å; R607-R611 PolarHBondContact O-N 3.23Å; R607-R611 VanDerWaalsContact O-N 3.08Å
608D86.4Confident79.9Confident65 Ų65108.9 Ų108.935%0.34852%0.521SS..Hα-helixtrans-70.2-47.9172.9-62.2-25.5000110.8D604 E606 D610 R611 D612D604-D608 PolarHBondContact O-N 3.25Å; E606-D608 PolarHBondContact O-N 3.37Å; D608-D610 VanDerWaalsContact C-N 3.3Å; D608-D610 PolarHBondContact O-N 3.41Å; D608-R611 CarbonylContact O-C 3.59Å; D608-R611 PolarHBondContact O-N 3.11Å; D608-R611 VanDerWaalsContact O-N 3.09Å; D608-R611 IonicContact OD1-CZ 3.31Å; D608-R611 VanDerWaalsContact OD1-CZ 3.31Å; D608-R611 IonicContact OD1-NH1 2.7Å; D608-R611 PolarHBondContact OD1-NH1 3.29Å; D608-R611 IonicContact OD1-NH2 3Å; D608-R611 PolarHBondContact OD1-NH2 2.66Å; D608-D612 PolarHBondContact O-N 2.97Å
609R84.4Confident77.3Confident151 Ų151110.2 Ų110.257%0.5754%0.536SS*.Hα-helixtrans-63.1-33.8173.3-67178.5-160.7101.5-17.7113.2R605 E606 D612 R613R605-R609 VanDerWaalsContact C-NH1 3.25Å; R605-R609 WeakPolarHBondContact O-CG 3.32Å; R605-R609 PolarHBondContact O-N 3.4Å; R605-R609 PolarHBondContact O-NH1 3.01Å; E606-R609 PolarHBondContact O-N 2.96Å; E606-R609 VanDerWaalsContact O-N 3.1Å; R609-D612 PolarHBondContact O-N 3.4Å; R609-R613 WeakPolarHBondContact O-CB 3.1Å; R609-R613 PolarHBondContact O-N 3.34Å
610D82.6Confident74.9Confident72 Ų72113.2 Ų113.239%0.38556%0.556SS.*Hα-helixtrans-65.8-40.2173.6-68-30.2000110.7E606 D608 R613 E614E606-D610 PolarHBondContact O-N 3.48Å; D608-D610 VanDerWaalsContact C-N 3.3Å; D608-D610 PolarHBondContact O-N 3.41Å; D610-R613 PolarHBondContact O-N 3.02Å; D610-E614 WeakPolarHBondContact O-CB 3.3Å; D610-E614 VanDerWaalsContact O-CG 3.25Å; D610-E614 WeakPolarHBondContact O-CG 3.39Å; D610-E614 PolarHBondContact O-N 3.35Å
611R79.9Confident72.4Confident142 Ų142115.6 Ų115.654%0.53658%0.575SS.*Hα-helixtrans-67.7-33.8172.4-76.7-170.4-110.287.30.8113R607 D608 R613 G615R607-R611 WeakPolarHBondContact O-CG 3.38Å; R607-R611 PolarHBondContact O-N 3.23Å; R607-R611 VanDerWaalsContact O-N 3.08Å; D608-R611 CarbonylContact O-C 3.59Å; D608-R611 PolarHBondContact O-N 3.11Å; D608-R611 VanDerWaalsContact O-N 3.09Å; D608-R611 IonicContact OD1-CZ 3.31Å; D608-R611 VanDerWaalsContact OD1-CZ 3.31Å; D608-R611 IonicContact OD1-NH1 2.7Å; D608-R611 PolarHBondContact OD1-NH1 3.29Å; D608-R611 IonicContact OD1-NH2 3Å; D608-R611 PolarHBondContact OD1-NH2 2.66Å; R611-R613 VanDerWaalsContact C-N 3.28Å; R611-R613 PolarHBondContact O-N 3.14Å; R611-G615 WeakPolarHBondContact O-CA 3.06Å; R611-G615 PolarHBondContact O-N 2.65Å
612D76.8Confident69.7Low128 Ų128117.4 Ų117.468%0.68459%0.592SS**Hα-helixtrans-66.1-31.8172.4-63.4-31000111.7D608 R609D608-D612 PolarHBondContact O-N 2.97Å; R609-D612 PolarHBondContact O-N 3.4Å
613R76.3Confident67.1Low197 Ų197119.3 Ų119.374%0.74360%0.601SS**Hα-helixtrans-76.6-42.4175.3172.9176.1-81.5143-7.6112.9R609 D610 R611 G615R609-R613 WeakPolarHBondContact O-CB 3.1Å; R609-R613 PolarHBondContact O-N 3.34Å; D610-R613 PolarHBondContact O-N 3.02Å; R611-R613 VanDerWaalsContact C-N 3.28Å; R611-R613 PolarHBondContact O-N 3.14Å; R613-G615 PolarHBondContact O-N 3.25Å
614E67Low64.3Low136 Ų136119.9 Ų119.964%0.63662%0.621SS**Hα-helixtrans-74.8-12174.5-61.2-84.4126.600112.1D610 G616D610-E614 WeakPolarHBondContact O-CB 3.3Å; D610-E614 VanDerWaalsContact O-CG 3.25Å; D610-E614 WeakPolarHBondContact O-CG 3.39Å; D610-E614 PolarHBondContact O-N 3.35Å; E614-G616 VanDerWaalsContact C-N 3.26Å; E614-G616 PolarHBondContact O-N 3Å
615G59.7Low61.6Low62 Ų62123.6 Ų123.664%0.63964%0.639SS**THydrogen-bonded Turntrans-78.30.3178.600000115.2R611 R613R611-G615 WeakPolarHBondContact O-CA 3.06Å; R611-G615 PolarHBondContact O-N 2.65Å; R613-G615 PolarHBondContact O-N 3.25Å
616G64.8Low58.7Low37 Ų37123.5 Ų123.538%0.38165%0.653SS.*SBendtrans-66.6148.8171.700000111.9E614 H618E614-G616 VanDerWaalsContact C-N 3.26Å; E614-G616 PolarHBondContact O-N 3Å; G616-H618 PolarHBondContact O-N 2.91Å
617P49.3Very low55.8Low131 Ų131124.3 Ų124.385%0.85167%0.666SS**  trans-66.4106178.327.3-33.7000110.3S619P617-S619 PolarHBondContact O-N 3.32Å; P617-S619 VanDerWaalsContact O-N 3.1Å
618H40.9Very low52.9Low152 Ų152126.1 Ų126.170%0.70469%0.689SS**  trans-62.7111.2175-73.9-85.2000110.7G616G616-H618 PolarHBondContact O-N 2.91Å
619S36.6Very low50.3Low116 Ų116128.4 Ų128.481%0.81171%0.71SS**PPolyproline II helixtrans-59.2145.1168.9-62.80000111.3P617P617-S619 PolarHBondContact O-N 3.32Å; P617-S619 VanDerWaalsContact O-N 3.1Å
620L40Very low47.7Very low153 Ų153125.2 Ų125.280%0.80171%0.711SS**PPolyproline II helixtrans-63.4150.2-178.7-59.3173.5000111.9I622L620-I622 PolarHBondContact O-N 3.27Å
621P40Very low45.4Very low123 Ų123130.5 Ų130.580%0.79973%0.733SS**PPolyproline II helixtrans-65.9122.8167.629.2-33000109.1
622I34.7Very low43.1Very low153 Ų153130 Ų13079%0.78575%0.747SS**PPolyproline II helixtrans-84.2121.3172.6-68.4176.3000108.2L620L620-I622 PolarHBondContact O-N 3.27Å
623E38.4Very low41.4Very low171 Ų171128.8 Ų128.880%0.79975%0.745SS**PPolyproline II helixtrans-70.4129.6167.8-62.5178.6134.400109.4
624S31.4Very low39.3Very low113 Ų113128.1 Ų128.179%0.7975%0.751SS**  trans-116.798.6176.9-670000109.4
625I34.5Very low37.5Very low145 Ų145127.1 Ų127.174%0.74476%0.758SS**  trans-126.699.8176.91.6172.5000110.7
626T29.1Very low36.3Very low132 Ų132128.7 Ų128.781%0.8176%0.76SS**  trans-156.4134.3166.146.70000109.6
627T30.2Very low34.8Very low125 Ų125132.2 Ų132.277%0.76777%0.774SS**  cis-178122.5-31.213.70000106.7
628T27.4Very low33.8Very low144 Ų144131.1 Ų131.188%0.88377%0.769SS**  trans-145.2117.9166.6-25.20000111.7
629S31.6Very low33.4Very low113 Ų113129 Ų12979%0.7977%0.772SS**  trans-7.7134.7164.3-155.80000117.1
630S31.2Very low33.4Very low85 Ų85129.7 Ų129.759%0.59477%0.771SS**  -172.4167.269.159.30000115.7
631Q33.5Very low33.7Very low182 Ų182127.9 Ų127.985%0.8577%0.769SS**  trans75.6119.9162.1-69.4166.799.500119.5
632T30.8Very low33.5Very low133 Ų133128 Ų12882%0.81677%0.768SS**  trans-77.6179.5160.6470000109.5
633P43.1Very low34.1Very low101 Ų101125.9 Ų125.966%0.65676%0.764SS**  cis-145.2-179.220.440.5-18.4000118.6
634Q31.4Very low33.6Very low184 Ų184125 Ų12586%0.8676%0.764SS**  trans70.5132.8169.1-45.3-17320.100114.4
635S29.9Very low33.6Very low114 Ų114124.9 Ų124.980%0.79776%0.763SS**  cis-156.3-177.7-7.260.60000107.6
636S32.7Very low33.5Very low96 Ų96123.2 Ų123.267%0.67176%0.764SS**  cis-159-157.411.7-156.20000111.4
637T33.7Very low33.8Very low111 Ų111121.5 Ų121.568%0.68176%0.757SS**  trans-21.7129156.155.40000115.1
638S29.7Very low34Very low107 Ų107124.5 Ų124.575%0.74876%0.763SS**  55.8146.653.888.50000113.3
639S32.2Very low34.3Very low108 Ų108126.7 Ų126.776%0.75576%0.755SS**  cis-152.3164.911.757.70000112.8
640T36.4Very low35Very low130 Ų130127.2 Ų127.280%0.79876%0.755SS**  trans-60.9167.6154.426.60000111.3
641P46.2Very low35.4Very low116 Ų116130 Ų13075%0.75376%0.759SS**  cis-142.1-174.62941.3-20000118.3
642T35.6Very low35.2Very low126 Ų126127.2 Ų127.277%0.77376%0.759SS**  trans-59.3169157.645.10000112
643P46.2Very low35.5Very low108 Ų108129.6 Ų129.670%0.70175%0.753SS**  cis-157-169.338.642.4-17.7000120
644L29.6Very low35.7Very low153 Ų153130.4 Ų130.480%0.80176%0.759SS**  trans81.9120.3156-64.1177.5000122.9
645S31.6Very low35.7Very low110 Ų110126.4 Ų126.477%0.76974%0.739SS**  trans70.3149.4132.4-60.80000120.4
646S32.6Very low35.7Very low109 Ų109128.1 Ų128.176%0.76274%0.739SS**  cis-152.5172.31.7-161.60000112.2
647S33.9Very low35.6Very low96 Ų96132.8 Ų132.867%0.67174%0.742SS**  trans66.5144.2169.1-700000118.4
648Q34.8Very low35.3Very low189 Ų189130.9 Ų130.988%0.88373%0.733SS**  cis-148.3169.6-16.1-120.3177.934.100110.4
649R33.6Very low35.3Very low190 Ų190133.5 Ų133.572%0.71773%0.733SS**  trans-111.3167.2-166.9-122.8-171.8170.2-155.1-7.5111.3H651R649-H651 PolarHBondContact NE-CD2 2.96Å; R649-H651 PolarHBondContact NE-NE2 3.49Å; R649-H651 PolarHBondContact NH2-CD2 3.45Å; R649-H651 PolarHBondContact NH2-NE2 3.37Å
650P47.4Very low35.8Very low123 Ų123134.5 Ų134.580%0.79974%0.735SS**  -139.1179.554.636.9-16.8000116.6
651H38.3Very low36.5Very low144 Ų144133 Ų13367%0.66773%0.727SS**  trans-124.4166.6170.3-54-139.9000109.3R649R649-H651 PolarHBondContact NE-CD2 2.96Å; R649-H651 PolarHBondContact NE-NE2 3.49Å; R649-H651 PolarHBondContact NH2-CD2 3.45Å; R649-H651 PolarHBondContact NH2-NE2 3.37Å
652S29.2Very low36Very low123 Ų123136.3 Ų136.386%0.8673%0.732SS**  trans-143.5131.8147.256.90000111.9
653R38Very low35.7Very low183 Ų183133.7 Ų133.769%0.69173%0.73SS**  trans-141.9144.9169.3-173.4-160.6174-150.6-3.6106.9H655R653-H655 PolarHBondContact NH1-CD2 2.85Å; R653-H655 PolarHBondContact NH1-NE2 3.35Å; R653-H655 PolarHBondContact NH2-CE1 2.86Å; R653-H655 PolarHBondContact NH2-ND1 2.86Å
654P45.9Very low35.3Very low119 Ų119136.3 Ų136.377%0.77374%0.738SS**  -131.9149.4124.740.9-32.1000109
655H33Very low36.1Very low99 Ų99135.1 Ų135.146%0.45874%0.739SS.*  53.4142.851-107-28000113R653R653-H655 PolarHBondContact NH1-CD2 2.85Å; R653-H655 PolarHBondContact NH1-NE2 3.35Å; R653-H655 PolarHBondContact NH2-CE1 2.86Å; R653-H655 PolarHBondContact NH2-ND1 2.86Å
656L29Very low36.6Very low150 Ų150134.3 Ų134.379%0.78574%0.739SS**  cis-110.6169.135.8-70.2158.6000112
657R30.2Very low36.4Very low194 Ų194139.8 Ų139.873%0.73275%0.745SS**  cis63.6137.149.9-108.2-159.1167.891.5-3.5111.7
658S27.6Very low36.6Very low71 Ų71143.8 Ų143.850%0.49775%0.75SS.*  cis-159.8-173.4-13.819.70000107.5
659H29.3Very low37Very low162 Ų162140.9 Ų140.975%0.7575%0.748SS**  cis-150.3175.322.4-65-109.2000111.4
660T44.3Very low37.4Very low129 Ų129137.4 Ų137.479%0.79175%0.75SS**  trans-147130.4153.2-44.50000108.7
661P50.1Low36.7Very low98 Ų98136.4 Ų136.464%0.63675%0.746SS**  trans-111.2124.7157.913.17.2000109.8
662H36.1Very low37Very low186 Ų186134.2 Ų134.286%0.86175%0.747SS**  68.4126.595.2-49.4-35.5000114.1
663G30Very low37.3Very low71 Ų71136.3 Ų136.373%0.73275%0.748SS**  cis169.5147.1-8.300000113.3
664L36.8Very low37.2Very low163 Ų163132.9 Ų132.985%0.85375%0.752SS**  trans28.5136.3150.5-58.7-177000120.2
665P46.8Very low37.2Very low128 Ų128132.3 Ų132.383%0.83175%0.748SS**  -124.1156.372.337.5-31.8000115.3
666A41.5Very low37.7Very low94 Ų94135.7 Ų135.778%0.77777%0.769SS**  trans-79.6142.816600000110.4
667Y28.2Very low37.9Very low224 Ų224135.8 Ų135.888%0.87877%0.769SS**  trans-112.6140.6173.3-155-95.9000110.9
668K38.9Very low37.9Very low179 Ų179138.5 Ų138.578%0.77878%0.78SS**PPolyproline II helixtrans-77.3144.8-179.7-61.5175.8-179.1177.20110.1P670K668-P670 VanDerWaalsContact O-CD 3.28Å; K668-P670 WeakPolarHBondContact O-CD 3.3Å
669P41.7Very low38.2Very low128 Ų128140.5 Ų140.583%0.83179%0.789SS**PPolyproline II helixtrans-74.4121.416530.1-31.3000110.2
670P42.8Very low38.1Very low118 Ų118143.1 Ų143.177%0.76679%0.794SS**PPolyproline II helixtrans-79.1157.4161.634.4-33.6000110.5K668K668-P670 VanDerWaalsContact O-CD 3.28Å; K668-P670 WeakPolarHBondContact O-CD 3.3Å
671S32.8Very low37.9Very low102 Ų102142.5 Ų142.571%0.71379%0.792SS**PPolyproline II helixtrans-96148.8171.3520000111.5
672S45.3Very low37.2Very low98 Ų98143 Ų14369%0.68580%0.798SS**  trans53.1112.7166.5490000116.2
673D34.5Very low37.1Very low166 Ų166140.2 Ų140.289%0.88880%0.8SS**  -158-177.564.1-93.2-36.3000115.1
674S35.4Very low37.1Very low112 Ų112140 Ų14078%0.78380%0.798SS**  trans-77.2171-175.9-136.30000113.7
675P47.6Very low37.2Very low106 Ų106142.7 Ų142.769%0.68880%0.803SS**  cis-141.7178.68.244.1-25.4000118.1
676L42.2Very low37Very low171 Ų171148.6 Ų148.690%0.89581%0.809SS**  trans43.7100.2151.9-69.3172.6000121.1
677L34.5Very low36.9Very low151 Ų151155.4 Ų155.479%0.79181%0.814SS**  -164.2143.8126.1-166.760.9000110.5
678W30.1Very low37.2Very low252 Ų252150 Ų15096%0.95581%0.806SS**  trans-124106170.1-89.879.7000111.5
679T32.8Very low37.6Very low112 Ų112146.9 Ų146.969%0.68781%0.805SS**PPolyproline II helixtrans-88.8136.6176.7-45.80000110.5P681T679-P681 WeakPolarHBondContact O-CD 3.32Å
680Y27.7Very low37.3Very low217 Ų217145.3 Ų145.385%0.85180%0.802SS**PPolyproline II helixtrans-73.4128.8173-106.5-95.9000111.8
681P40.9Very low36.7Very low117 Ų117149.2 Ų149.276%0.7680%0.803SS**PPolyproline II helixtrans-87.6143155.633.6-29.7000110.4T679T679-P681 WeakPolarHBondContact O-CD 3.32Å
682S34.6Very low36.4Very low107 Ų107151.3 Ų151.375%0.74880%0.802SS**  trans-143.3129.8176.3-77.90000111.9
683S33.8Very low36.2Very low129 Ų129151.9 Ų151.990%0.90281%0.806SS**  trans-172.1143.1144.444.50000110.6
684G30.8Very low36.4Very low67 Ų67150.6 Ų150.669%0.69180%0.798SS**  cis178.6171.4-9.600000114.1
685F38.4Very low36.5Very low219 Ų219155.1 Ų155.196%0.96180%0.798SS**  trans-125.4152.3164.8-82.9-91.3000108.6
686R41.6Very low35.6Very low252 Ų252154.3 Ų154.395%0.95180%0.8SS**PPolyproline II helixtrans-88.3154.3-179.1-73.3-167.2-179.7-91.24112.8
687R39.5Very low35.1Very low237 Ų237151 Ų15189%0.89479%0.791SS**PPolyproline II helixtrans-79.2166.3-175.3-55.5176.9175.6171.4-4.4114.2
688P35Very low34.9Very low110 Ų110148.1 Ų148.171%0.71478%0.784SS**PPolyproline II helixtrans-95.4152.3134.936.6-29.9000113
689P48.6Very low34.8Very low114 Ų114143.9 Ų143.974%0.7477%0.774SS**PPolyproline II helixtrans-74.4148.416131.9-31.6000110.9
690A34Very low34.8Very low95 Ų95144.5 Ų144.579%0.78578%0.778SS**  68.313669.100000112.9
691Y29.8Very low35.3Very low199 Ų199139.2 Ų139.278%0.7877%0.771SS**  cis-157.7175.31.5-171.8-128.4000111
692E27.9Very low34.7Very low146 Ų146138.3 Ų138.368%0.68277%0.767SS**  trans67.3143.8156-118.2162.7177.400123.5
693S40.1Very low34.6Very low111 Ų111139.2 Ų139.278%0.77676%0.763SS**  trans-127.9143.6173.6-53.20000109.5
694L39.9Very low34.3Very low138 Ų138136.3 Ų136.372%0.72374%0.735SS**  trans-152.1149.5159.8-63.9-177.4000107.5
695R36.6Very low34.1Very low208 Ų208137.4 Ų137.479%0.78572%0.722SS**  cis-150.4153.7-13.9-105.6-177.7-144.5-155.14.3105.9
696A29.1Very low34.3Very low89 Ų89129.6 Ų129.674%0.73669%0.693SS**  57.8146.673.900000114.3
697S31.3Very low33.9Very low100 Ų100122.4 Ų122.470%0.69968%0.682SS**  cis-134-136.7-547.10000110.8
698S30.8Very low33.6Very low91 Ų91115.4 Ų115.464%0.63667%0.669SS**  cis-154.5137.412.8-61.10000112.8
699Q28.1Very low33.6Very low163 Ų163117.9 Ų117.976%0.76268%0.676SS**  44.4118.1127.8-55.5170.57.600120
700T31.4Very low32.8Very low125 Ų125118.7 Ų118.777%0.76768%0.679SS**  50.1143.364.270.30000113.9
701P39.6Very low32.5Very low107 Ų107117.5 Ų117.570%0.69568%0.676SS**  cis-151.1-179.840.838.9-16.3000118.6
702S27.9Very low32.5Very low98 Ų98115.4 Ų115.469%0.68568%0.683SS**  trans56.7142.8144.254.90000120.6
703L31.6Very low32.6Very low125 Ų125111.8 Ų111.865%0.65469%0.685SS**  cis-168.3176-4.2-109167.5000106.5I286I286-L703 HydrophobicContact CG2-CD2 3.32Å
704Q27.4Very low31.9Very low68 Ų68116.2 Ų116.232%0.31869%0.693SS.*  trans103.1156.2146.4-75.2153.8-97.800122.2I286 Y287 E288I286-Q704 VanDerWaalsContact CB-CA 3.43Å; I286-Q704 HydrophobicContact CG2-CG 4.48Å; Y287-Q704 VanDerWaalsContact C-CG 3.4Å; Y287-Q704 VanDerWaalsContact N-CA 3.33Å; Y287-Q704 WeakPolarHBondContact O-CB 3.47Å; Y287-Q704 WeakPolarHBondContact O-CG 3.31Å; Y287-Q704 PolarHBondContact O-NE2 3.17Å; E288-Q704 HydrophobicContact CB-CB 3.69Å; E288-Q704 HydrophobicContact CB-CG 4.28Å; E288-Q704 CarbonylContact O-C 2.88Å; E288-Q704 WeakPolarHBondContact O-CA 3.23Å; E288-Q704 WeakPolarHBondContact O-CB 3.46Å; E288-Q704 PolarHBondContact OE2-NE2 3.18Å
705Q27.1Very low31.5Very low91 Ų91113 Ų11343%0.42569%0.693SS.*  trans-154.1-120-163.9-148.5100.3-96.500113.8E284 I286 E288E284-Q705 PolarHBondContact O-NE2 2.65Å; I286-Q705 VanDerWaalsContact C-CB 3.41Å; I286-Q705 HydrophobicContact CB-CB 3.85Å; I286-Q705 HydrophobicContact CD1-CB 4.42Å; I286-Q705 HydrophobicContact CG1-CB 3.93Å; I286-Q705 VanDerWaalsContact O-CB 3.3Å; I286-Q705 WeakPolarHBondContact O-CB 3.4Å; E288-Q705 CarbonylContact C-O 3.56Å; E288-Q705 WeakPolarHBondContact CA-O 3.43Å; E288-Q705 PolarHBondContact N-O 2.67Å; E288-Q705 PolarHBondContact O-N 3.26Å
706P43.9Very low31.2Very low54 Ų54109.5 Ų109.535%0.35170%0.695SS.*  -91.8-161.3-66.146.4-26.3000112.2Y287Y287-P706 HydrophobicContact CD2-CG 3.51Å; Y287-P706 HydrophobicContact CE2-CG 3.66Å; Y287-P706 HydrophobicContact CG-CG 4.04Å
707S33Very low31.3Very low101 Ų101110 Ų11071%0.70669%0.692SS**  cis-152.9154.81.5-162.60000111.3
708S33.6Very low31.4Very low90 Ų90115.2 Ų115.263%0.62970%0.703SS**  trans-4135.5158.159.60000121.4
709L33.7Very low31.3Very low163 Ų163117 Ų11785%0.85372%0.715SS**  -166.4159.9109.2-123.579.9000115.8
710T31.7Very low31.4Very low131 Ų131116.1 Ų116.180%0.80472%0.716SS**  trans-59.8158.9-174.852.90000120.9
711G28.2Very low31.4Very low70 Ų70115.3 Ų115.372%0.72272%0.715SS**  trans147.4114.7156.500000112.2
712V30.1Very low30.8Very low155 Ų155114 Ų11494%0.93972%0.721SS**  cis92.412442.5177.10000113.8
713G28.7Very low31.1Very low69 Ų69114.9 Ų114.971%0.71173%0.727SS**  trans99.3155.4174.300000114.6
714E27.1Very low30.9Very low204 Ų204114.1 Ų114.195%0.95373%0.732SS**  cis179.5154.8-29.9-123.2-159.9123.500106.9
715G30.3Very low31.2Very low70 Ų70116.2 Ų116.272%0.72276%0.755SS**  trans79.5166.7166.100000119.3
716V30.7Very low31.2Very low136 Ų136120.6 Ų120.682%0.82478%0.775SS**  cis-165.2144-30.9112.60000111.2
717S31.2Very low30.5Very low98 Ų98121.8 Ų121.869%0.68579%0.785SS**  trans41.4120156.8-60.50000125.2
718K33.9Very low30.5Very low211 Ų211125.9 Ų125.992%0.91779%0.79SS**  40116.7124.4-62.4177.2177.5175.40120.5
719S28.6Very low30.3Very low127 Ų127127.8 Ų127.889%0.88880%0.797SS**  trans-140.3164.115266.10000111.1
720N30.3Very low30Very low145 Ų145123.8 Ų123.878%0.77580%0.795SS**  trans-162.7140.5-168.2172.457.2000115.2
721S29.8Very low29.6Very low108 Ų108126.1 Ų126.176%0.75580%0.795SS**  trans62.2151.116170.90000120
722G27.8Very low30.1Very low79 Ų79130.6 Ų130.681%0.81480%0.798SS**  trans142.5120.4155.700000116.6
723S33.4Very low30.7Very low118 Ų118128 Ų12883%0.82579%0.785SS**  trans-101.6168.3-175.2-54.90000115.2
724S28.8Very low30.7Very low109 Ų109135.2 Ų135.276%0.76279%0.791SS**  trans97.597.4143.372.60000122.8
725S34Very low30.8Very low112 Ų112130.5 Ų130.578%0.78377%0.772SS**  33.6127.4123.661.40000124.3
726Q27.5Very low30.8Very low183 Ų183131.9 Ų131.986%0.85577%0.771SS**  trans-162.8-179.2147.5-94.9-126.772.500111.6
727S29Very low30.7Very low79 Ų79130.6 Ų130.655%0.55277%0.768SS**  -155.2171.7-85.481.90000111.9
728K32.4Very low30.5Very low186 Ų186130.4 Ų130.481%0.80977%0.772SS**  trans68.2158.7167.7-84.5-177.9157.668.80117.5
729V29.3Very low30.5Very low131 Ų131125.9 Ų125.979%0.79477%0.767SS**  cis-151.9159.4-2.4-1110000111.2
730G26.7Very low30.7Very low78 Ų78128.3 Ų128.380%0.80477%0.769SS**  trans81.1164.5156.900000116.7
731F23.9Very low30.7Very low181 Ų181125.2 Ų125.279%0.79476%0.764SS**  cis-158.8153.7-13.4174.9-98.7000108.2
732M37.7Very low30.7Very low163 Ų163125.1 Ų125.180%0.80377%0.77SS**  trans-143.9146.1179.2-76.9-8399.800109.5
733P43.5Very low30.9Very low101 Ų101128.5 Ų128.566%0.65677%0.769SS**  -150.7140.9113.436.2-18.5000117.2
734W29.4Very low30.8Very low221 Ų221129.9 Ų129.984%0.83777%0.767SS**  57.698.2121.1-147.8-108.3000120.6
735D28.4Very low30.9Very low104 Ų104127.6 Ų127.656%0.55676%0.761SS**  88.1150.4111.1-96.756.7000126.9
736S30.1Very low31Very low99 Ų99126.6 Ų126.669%0.69275%0.754SS**  trans69.9148.8140.8-78.10000119.9
737S28.2Very low30.8Very low109 Ų109126.5 Ų126.576%0.76275%0.747SS**  cis-167.7-161.9-13.358.80000110.4
738A28.7Very low31.1Very low95 Ų95127.6 Ų127.679%0.78574%0.739SS**  trans84.8148.1166.500000119.2
739S33.2Very low32.1Very low116 Ų116120.6 Ų120.681%0.81171%0.713SS**  trans-118.3167.7176-52.90000109.5
740L32.2Very low32.2Very low177 Ų177119.5 Ų119.593%0.92770%0.7SS**  trans140.5160.1168.4-81.2162.5000107.2
741A30.6Very low32.3Very low80 Ų80123.4 Ų123.466%0.66170%0.697SS**  cis-175.2169.2-3500000107.6
742A30.7Very low32.6Very low106 Ų106126.1 Ų126.188%0.87670%0.702SS**  trans65158.6-177.200000115
743D31.7Very low32.1Very low150 Ų150126.9 Ų126.980%0.80270%0.701SS**  cis179.1151.2-27.4-163.2-137.7000102.8
744D31.5Very low31.6Very low148 Ų148128 Ų12879%0.79170%0.701SS**  -174.5165.664.6164.536.5000108.7
745G31Very low31.6Very low61 Ų61122.4 Ų122.463%0.62970%0.695SS**  trans105.5103149.900000118
746S35.3Very low31.5Very low91 Ų91125.4 Ų125.464%0.63670%0.704SS**  trans-126.7122.4172.9-73.70000113
747Y24Very low31.6Very low180 Ų180125.5 Ų125.571%0.70671%0.705SS**  trans-165.2137.8154.8-145-107.7000117.1P749Y747-P749 HydrophobicContact CD1-CG 4.36Å; Y747-P749 VanDerWaalsContact CE1-CD 3.47Å; Y747-P749 HydrophobicContact CE1-CG 3.63Å
748W34.7Very low31.6Very low103 Ų103129.1 Ų129.139%0.3971%0.709SS.*  trans176.6122.5157.844.5-36.7000111.4H316 H318 V319H316-W748 HydrophobicContact CB-CB 3.94Å; H316-W748 HydrophobicContact CB-CE3 4.15Å; H316-W748 HydrophobicContact CB-CG 4.47Å; H316-W748 AromaticContact CD2-CE3 3.71Å; H316-W748 AromaticContact CE1-CD2 3.24Å; H316-W748 AromaticContact CE1-CE2 3.53Å; H316-W748 AromaticContact CE1-CE3 3.36Å; H316-W748 AromaticContact CE1-CG 3.77Å; H316-W748 AromaticContact CE1-CZ3 3.86Å; H316-W748 AromaticContact CE1-NE1 3.95Å; H316-W748 AromaticContact CG-CD2 3.76Å; H316-W748 AromaticContact CG-CE3 3.44Å; H316-W748 VanDerWaalsContact CG-CE3 3.44Å; H316-W748 AromaticContact ND1-CD1 3.79Å; H316-W748 AromaticContact ND1-CD2 3.06Å; H316-W748 AromaticContact ND1-CE2 3.8Å; H316-W748 AromaticContact ND1-CE3 3.25Å; H316-W748 AromaticContact ND1-CG 3.17Å; H316-W748 AromaticContact NE2-CE3 3.67Å; H316-W748 AromaticContact NE2-CZ3 3.84Å; H318-W748 CarbonylContact C-O 3.58Å; H318-W748 WeakPolarHBondContact CA-O 3.44Å; H318-W748 HydrophobicContact CB-CB 4.01Å; H318-W748 HydrophobicContact CB-CD2 3.13Å; H318-W748 HydrophobicContact CB-CE3 3.65Å; H318-W748 HydrophobicContact CB-CG 3.32Å; H318-W748 HydrophobicContact CB-CH2 4.21Å; H318-W748 HydrophobicContact CB-CZ2 3.83Å; H318-W748 HydrophobicContact CB-CZ3 4.15Å; H318-W748 WeakPolarHBondContact CB-O 3.49Å; H318-W748 AromaticContact CD2-CD1 3.59Å; H318-W748 AromaticContact CD2-CE2 3.6Å; H318-W748 AromaticContact CD2-NE1 3.21Å; H318-W748 PolarHBondContact CD2-NE1 3.33Å; H318-W748 AromaticContact CG-CD1 4Å; H318-W748 AromaticContact CG-CE2 3.62Å; H318-W748 AromaticContact CG-CZ2 3.95Å; H318-W748 AromaticContact CG-NE1 3.7Å; V319-W748 WeakPolarHBondContact CA-O 3.35Å; V319-W748 WeakPolarHBondContact CB-O 3.38Å; V319-W748 PolarHBondContact N-O 3.12Å; V319-W748 VanDerWaalsContact N-O 3.16Å
749P52.4Low31.6Very low39 Ų39127.7 Ų127.725%0.25370%0.704SS.*BIsolated β-bridgetrans-124.5110.7173.65.119.3000122Y317 H318 V319 Y747Y317-P749 VanDerWaalsContact CD1-C 3.45Å; Y317-P749 WeakPolarHBondContact CD1-O 3.47Å; Y317-P749 WeakPolarHBondContact CD2-O 3.46Å; H318-P749 CarbonylContact O-C 3.45Å; H318-P749 WeakPolarHBondContact O-CA 3.39Å; V319-P749 HydrophobicContact CB-CB 4.2Å; V319-P749 HydrophobicContact CB-CG 4.43Å; Y747-P749 HydrophobicContact CD1-CG 4.36Å; Y747-P749 VanDerWaalsContact CE1-CD 3.47Å; Y747-P749 HydrophobicContact CE1-CG 3.63Å
750M32.2Very low31.4Very low107 Ų107127.9 Ų127.953%0.52771%0.705SS.*  trans62.2141.8153.5-111.443.111200128.1Y317 H318Y317-M750 VanDerWaalsContact C-N 3.26Å; Y317-M750 WeakPolarHBondContact CD2-O 3.39Å; H318-M750 WeakPolarHBondContact O-CE 3.27Å; H318-M750 PolarHBondContact O-N 3.06Å
751Q29Very low31.4Very low160 Ų160128.8 Ų128.875%0.74870%0.696SS**  trans75.9123.9132.3-90.1167-3.500128.9
752R30.2Very low31.2Very low239 Ų239131.7 Ų131.790%0.90270%0.696SS**  162.5139.8115.8-90.6178.1-68.2164.1-1.5110.1
753K28Very low31.6Very low178 Ų178130.7 Ų130.777%0.77469%0.688SS**  cis89.2124.80.2-133.9-165-179-174.90120
754L32.5Very low31.5Very low125 Ų125131.1 Ų131.165%0.65469%0.685SS**  trans75149.2170.3-49.7-179.4000115.2F756L754-F756 HydrophobicContact CD1-CE2 4.31Å; L754-F756 HydrophobicContact CD2-CE2 4.1Å
755S28.2Very low31.5Very low103 Ų103130.9 Ų130.972%0.7268%0.677SS**  cis-145.1148.833.4-73.70000112.3
756F27.3Very low31.5Very low167 Ų167133.9 Ų133.973%0.73268%0.679SS**  54.7149.985.9-61-63.8000115.6L754L754-F756 HydrophobicContact CD1-CE2 4.31Å; L754-F756 HydrophobicContact CD2-CE2 4.1Å
757S31.9Very low31.3Very low101 Ų101135.5 Ų135.571%0.70668%0.676SS**  cis-173.8175.6-4.1-103.60000109.4
758H27.6Very low31.9Very low185 Ų185130 Ų13086%0.85667%0.674SS**  cis178.6121.2-31.9170.3-77.2000111.1
759G29.3Very low31.8Very low66 Ų66134.8 Ų134.868%0.6869%0.692SS**  trans144.7164.1175.400000112
760S29.9Very low31Very low120 Ų120136.9 Ų136.984%0.83971%0.713SS**  cis-169.3175.7-0.9-134.50000108.1
761R31.1Very low31Very low195 Ų195141.5 Ų141.574%0.73673%0.725SS**  cis-159.3171.20.9-148.7-163159.1-167.6-15.6111.4
762E27.1Very low31.5Very low141 Ų141140 Ų14066%0.65972%0.722SS**  trans-17.4167.1153.3-74.1160.2-104.500122.8
763A38.3Very low31.7Very low85 Ų85132 Ų13270%0.70271%0.713SS**  cis-172-157.2-10.400000113
764E30.2Very low31.6Very low160 Ų160129.5 Ų129.575%0.74872%0.718SS**  trans77.3139.4-174.5-56.5-132.9126.200114.6
765K31.8Very low31.7Very low142 Ų142127.1 Ų127.162%0.61772%0.716SS**  cis-160.6164.113.2-148.990.1-179.3-177.20109.4
766D30.7Very low32.1Very low124 Ų124129.8 Ų129.866%0.66372%0.723SS**  cis-151.5165.7-15.5-124.4159000107.6
767E32.1Very low32.3Very low126 Ų126126.3 Ų126.359%0.58973%0.725SS**  33.2135.991.1-174.682.9119.500115.7R769E767-R769 VanDerWaalsContact CD-NH1 3.26Å; E767-R769 IonicContact OE1-CZ 2.65Å; E767-R769 IonicContact OE1-NH1 2.8Å; E767-R769 PolarHBondContact OE1-NH1 3.45Å; E767-R769 IonicContact OE1-NH2 3.74Å; E767-R769 PolarHBondContact OE1-NH2 2.93Å; E767-R769 IonicContact OE2-CZ 3.89Å; E767-R769 IonicContact OE2-NH1 3.51Å; E767-R769 PolarHBondContact OE2-NH1 3.26Å; E767-R769 IonicContact OE2-NH2 2.67Å
768G34.9Very low32.5Very low64 Ų64129 Ų12966%0.6673%0.73SS**  cis-175.3178-500000109.6
769R33.5Very low32.8Very low203 Ų203126.2 Ų126.277%0.76672%0.721SS**  cis-148.6171.85.4-59.3178.8-176.6-67.6-14.4109.3E767E767-R769 VanDerWaalsContact CD-NH1 3.26Å; E767-R769 IonicContact OE1-CZ 2.65Å; E767-R769 IonicContact OE1-NH1 2.8Å; E767-R769 PolarHBondContact OE1-NH1 3.45Å; E767-R769 IonicContact OE1-NH2 3.74Å; E767-R769 PolarHBondContact OE1-NH2 2.93Å; E767-R769 IonicContact OE2-CZ 3.89Å; E767-R769 IonicContact OE2-NH1 3.51Å; E767-R769 PolarHBondContact OE2-NH1 3.26Å; E767-R769 IonicContact OE2-NH2 2.67Å
770A34.5Very low33.1Very low84 Ų84133.4 Ų133.469%0.69473%0.728SS**  trans-146-165171.900000110.8
771W32.1Very low33.3Very low203 Ų203135.5 Ų135.577%0.76973%0.726SS**  trans76.6154.3158.5-83.739.6000117.9
772N41.1Very low33.3Very low130 Ų130132.1 Ų132.170%0.69572%0.723SS**  cis-166.1175.4-19.5-124.211.9000112.3
773G32.9Very low33.7Very low69 Ų69132.3 Ų132.371%0.71172%0.721SS**  trans137.4145152.800000114.8
774S26.4Very low33.4Very low127 Ų127135.2 Ų135.289%0.88872%0.72SS**  cis-156.3-179.7-7.3-162.30000110.4
775A34.4Very low33.6Very low74 Ų74134.4 Ų134.461%0.61272%0.721SS**  trans-138.5169.3-177.700000114.4
776D37.2Very low33.7Very low160 Ų160135.2 Ų135.286%0.85673%0.732SS**  trans65.8124.7155.1-60.8-42.2000123.8
777A32Very low33.8Very low93 Ų93132.9 Ų132.977%0.76974%0.736SS**  trans-161.3111.8139.900000107.4
778L34.6Very low33.9Very low157 Ų157135.7 Ų135.782%0.82276%0.755SS**  52.5113.777.8-72.4176.7000115.7
779L35.6Very low33.7Very low127 Ų127135.7 Ų135.767%0.66575%0.754SS**  176.5128.7106.8-87-169.6000115
780R35.3Very low33.7Very low217 Ų217131.1 Ų131.182%0.81975%0.754SS**  trans63.5166.8141.7-75.8-175.7-98.2-107.84123.3
781M33.5Very low33.7Very low165 Ų165138.8 Ų138.881%0.81376%0.764SS**  trans-82.6-176.7179.1-49.3-99.654.700110.4
782D32.3Very low33.6Very low124 Ų124133.1 Ų133.166%0.66377%0.77SS**  cis-153.2145.417.2-137.2-166.3000107.6
783K34.6Very low33.3Very low144 Ų144130.2 Ų130.263%0.62677%0.77SS**  64.9129.884.4-159.7-171.2175-127.20116.1
784E31.5Very low33.6Very low146 Ų146136.2 Ų136.268%0.68278%0.78SS**  trans51.6158.8160.474.1-153.8154.600119.6
785D35.3Very low34.1Very low143 Ų143135 Ų13577%0.76577%0.772SS**  cis-166.9-170.7-33.4179.230.3000105.3
786L33.5Very low34.1Very low160 Ų160134.8 Ų134.884%0.83878%0.776SS**  trans73.7121.9173.9-50.5173.3000115.2
787G32.2Very low33.7Very low74 Ų74134.5 Ų134.576%0.76377%0.773SS**  trans-124.5143.2165.600000111
788L35Very low34.5Very low186 Ų186135 Ų13597%0.97477%0.769SS**  trans-165.5140.6169.3-110.6162.8000111.7
789G30.2Very low34.3Very low63 Ų63133.7 Ų133.765%0.64977%0.767SS**  trans85.184.3138.600000121.4
790S33.8Very low34.1Very low108 Ų108135.5 Ų135.576%0.75577%0.772SS**  58.2120.7120.6-62.30000124.3
791R34.2Very low33.7Very low244 Ų244134.1 Ų134.192%0.92177%0.772SS**  trans78141133.5-67.7176.8164.6-117-3.4120.3
792G30.2Very low33.4Very low85 Ų85131.4 Ų131.488%0.87677%0.769SS**  trans-86.9-158.8176.500000113.9
793G34.2Very low33.2Very low69 Ų69129 Ų12971%0.71177%0.773SS**  cis177-145.88.700000109.7
794Q39.2Very low33.2Very low194 Ų194126.5 Ų126.591%0.90778%0.78SS**  trans74.4157.5177.4-54.4-168.620.700115.2
795S38.4Very low33.4Very low103 Ų103126 Ų12672%0.7279%0.787SS**  cis-166.4167.3-13.541.40000111.9
796G33.4Very low33Very low69 Ų69124.1 Ų124.171%0.71179%0.785SS**  trans145.9108.1167.100000112.5
797I28.1Very low33.4Very low153 Ų153128.4 Ų128.479%0.78579%0.79SS**  cis82.2127.436.9-57.7177.2000112.3
798P50.2Low33.4Very low104 Ų104128.7 Ų128.768%0.67579%0.785SS**  cis-136.6-166.9-1335.2-13.5000115.5
799V29.7Very low33.3Very low129 Ų129128.5 Ų128.578%0.78278%0.784SS**  trans135.5143.51421780000112.5
800H31.3Very low33.4Very low166 Ų166128.5 Ų128.577%0.76978%0.784SS**  trans-130.1167.4-164.4-60.1-117.4000113.4
801F27.1Very low33.6Very low187 Ų187131 Ų13182%0.8278%0.783SS**  128.4129117.7-139.7-101.9000118
802S27.1Very low33.6Very low109 Ų109124.9 Ų124.976%0.76278%0.777SS**  trans61.7154.9159.9-82.50000123
803G27.3Very low33.7Very low72 Ų72129.1 Ų129.174%0.74277%0.774SS**  trans103.297176.100000112.4
804A34.4Very low33.7Very low93 Ų93129.3 Ų129.377%0.76976%0.764SS**  cis78.114645.700000114.5
805T37.1Very low33.4Very low135 Ų135127.3 Ų127.383%0.82876%0.759SS**  trans68.3138.1-166.976.70000114.6
806S26.7Very low33Very low103 Ų103127.1 Ų127.172%0.7276%0.763SS**  cis83.675.612.692.50000117.6
807R41.2Very low32.7Very low250 Ų250127.3 Ų127.394%0.94377%0.765SS**  trans-170146.1149.7-100.9160.1-168.5-164.64.1109.7
808A32.1Very low32.9Very low80 Ų80126.7 Ų126.766%0.66177%0.769SS**  cis-171.4136.4-27.100000109.9
809L33.9Very low31.8Very low183 Ų183128.4 Ų128.496%0.95877%0.772SS**  trans55.9153.2162.4-81.265.6000118.4
810G31.4Very low31.6Very low63 Ų63126.8 Ų126.865%0.64977%0.766SS**  cis-153.4168.3-7.400000108.3
811H38.4Very low31.6Very low160 Ų160124.2 Ų124.274%0.74177%0.767SS**  37.6126.859.2-99.4-87.3000113
812C33.4Very low32.7Very low116 Ų116121.3 Ų121.378%0.78477%0.767SS**  cis-131.2162.527.352.20000113
813E33.5Very low32.8Very low174 Ų174119.6 Ų119.681%0.81377%0.767SS**  cis-120.4152.7-1.2-68.8-175.686.300109.9
814S33.3Very low32.9Very low72 Ų72125.3 Ų125.350%0.50377%0.771SS.*  63.8135.857.6-117.50000113.3
815L34.3Very low32.9Very low153 Ų153131.4 Ų131.480%0.80177%0.774SS**  cis-126.71417.9-73.3158.6000109.1
816A29.2Very low32.5Very low98 Ų98129.1 Ų129.181%0.8177%0.769SS**  55.9130.87700000114.7
817G27.4Very low32.9Very low73 Ų73132.1 Ų132.175%0.75378%0.776SS**  cis173.5-177.6-4.100000113.5
818V31.3Very low33.6Very low141 Ų141125 Ų12586%0.85576%0.762SS**  trans40.6103.5154.8179.10000119.6
819D27.3Very low33.6Very low140 Ų140132.6 Ų132.675%0.74977%0.774SS**  58.5127.9118-141.1-5000123.4
820S26Very low33.4Very low94 Ų94127.8 Ų127.866%0.65777%0.769SS**  trans51.3112.8147.2-71.30000123.9
821S30.3Very low33.2Very low112 Ų112128.7 Ų128.778%0.78378%0.778SS**  trans78.7161.5135.8-60.10000119.7
822P50.4Low32.8Very low127 Ų127129.2 Ų129.283%0.82579%0.785SS**  cis-136.5155-45.737.7-23000114.3
823G29Very low33.8Very low73 Ų73129.3 Ų129.375%0.75378%0.784SS**  trans174.392.6173.100000112.7
824F30.8Very low34.1Very low192 Ų192128.5 Ų128.584%0.84279%0.785SS**  66.5121.474.6-117.1-64.4000116.8
825R33.6Very low34.9Very low221 Ų221130.5 Ų130.583%0.83480%0.796SS**  trans88.5135.6163.3-53.7-168.7-165.4-92.20.4120.8
826A28.7Very low34.7Very low87 Ų87128 Ų12872%0.71979%0.79SS**  trans66.6114.1143.700000118.9
827L35.7Very low35Very low166 Ų166131.5 Ų131.587%0.86979%0.79SS**  46.2143.961.8-68.7-178.8000115
828P55.5Low35Very low99 Ų99134.1 Ų134.164%0.64379%0.791SS**  cis-139.3-164.5-8.139.8-19.7000114.4
829R32.8Very low34.8Very low240 Ų240136.7 Ų136.791%0.90679%0.792SS**  trans60.7118.8160.4-66.6179.2172.8-165.5-2.2116.7
830G29.6Very low36Very low83 Ų83135.6 Ų135.686%0.85679%0.792SS**  92.4114.253.500000111
831G25.9Very low36.2Very low81 Ų81135.4 Ų135.484%0.83580%0.796SS**  trans-178.3140.5179.300000115.3
832L31.6Very low36.2Very low172 Ų172136.2 Ų136.290%0.90180%0.8SS**  trans-91-171.5166.6-53162.8000108.6
833P52.8Low35.4Very low118 Ų118142 Ų14277%0.76681%0.806SS**  cis-135.7-167.8-9.531.6-7.5000114.9
834L40Very low35.7Very low156 Ų156146.1 Ų146.182%0.81781%0.81SS**  trans-33.9157.1152.8-70.8168.5000115.3
835P50.5Low35.9Very low114 Ų114140.4 Ų140.474%0.7481%0.806SS**  -160.1167.364.244.3-22.5000122.4
836C29.5Very low36Very low102 Ų102138.7 Ų138.769%0.68981%0.807SS**  trans62.7131.1138.6-75.90000126.3
837Q35.6Very low36.5Very low170 Ų170140.9 Ų140.979%0.79481%0.812SS**  trans71.4155141.4-60.7170.235.900117.7
838T28.2Very low36.5Very low128 Ų128136.2 Ų136.279%0.78580%0.803SS**  cis-147.1179.38.7-20.50000112.8
839F27.4Very low35.7Very low196 Ų196143.1 Ų143.186%0.8682%0.817SS**  trans-93.3-173.9178.7-76.6-84.2000113.4
840P53.1Low36Very low116 Ų116140.6 Ų140.675%0.75382%0.82SS**  cis-134.6-175.9-37.133.2-13.5000114.7
841A28.8Very low36.2Very low90 Ų90139.9 Ų139.974%0.74481%0.813SS**  trans138.5102.4130.500000119.5
842C30.2Very low36.7Very low130 Ų130147.9 Ų147.988%0.87882%0.818SS**  trans38.4122.7134.8-54.90000125.1
843R34.7Very low37Very low248 Ų248144.9 Ų144.994%0.93681%0.811SS**  -151.9152.4128.4-169.5167.5174176.1-1.6111.3
844N33.9Very low36.1Very low159 Ų159145.1 Ų145.185%0.8582%0.816SS**  trans-101.2158.2-168.1-72.5-14.8000116.2
845G35Very low35.9Very low73 Ų73143.4 Ų143.475%0.75382%0.817SS**  trans99.8140151.900000116.6
846E37.1Very low35.2Very low184 Ų184142.6 Ų142.686%0.8682%0.819SS**  cis-151.5154.6-5.6-91.5-158.5101.400113.1
847V38.5Very low35.4Very low134 Ų134141.6 Ų141.681%0.81282%0.819SS**  trans17.7132.5147.7-1670000119.9
848G35.1Very low35.3Very low67 Ų67136.4 Ų136.469%0.69181%0.81SS**  cis157.9-159.81.300000114.2
849R38.7Very low35.6Very low245 Ų245136.6 Ų136.693%0.92581%0.811SS**  trans91.579.9-178.5-56.3-177.1-174.7-1041.7118.2
850L40.7Very low36Very low187 Ų187138.9 Ų138.998%0.97981%0.814SS**  trans-147.8157.5152-89.1179.9000110.3
851G32Very low35.1Very low68 Ų68141.9 Ų141.970%0.70182%0.818SS**  trans132.5106.7-178.800000111.5
852R38.2Very low35.1Very low249 Ų249144.2 Ų144.294%0.9482%0.823SS**  cis83.9136.118-138.3175.5-168.6-100.51.3114.6
853S36.1Very low35.1Very low108 Ų108141.5 Ų141.576%0.75582%0.817SS**  trans-76.7156.1-167.5-22.90000114.7
854S34.6Very low34.8Very low124 Ų124133.7 Ų133.787%0.86781%0.814SS**  168174.2126.8-75.10000113.2
855S35.5Very low34.6Very low120 Ų120129.6 Ų129.684%0.83981%0.809SS**  trans-100.8176.3-166.1-48.80000115.7
856A36.7Very low34.4Very low96 Ų96133.5 Ų133.579%0.79381%0.812SS**  trans94.298.9145.900000121.6
857A34.3Very low34.1Very low82 Ų82130.6 Ų130.668%0.67881%0.807SS**  48.186.1119.900000122.3
858G32.1Very low33.6Very low60 Ų60131 Ų13162%0.61980%0.8SS**  101.7139.910300000120.8
859V35.8Very low33.2Very low133 Ų133136.7 Ų136.781%0.80680%0.8SS**  trans69.1113.8157.4-173.60000118.3
860R34.3Very low32.9Very low244 Ų244131.7 Ų131.792%0.92179%0.788SS**  -162.9150120.6-106.3166.1-166.7-77.3-3.2113.1
861Q34.7Very low32.3Very low178 Ų178128.4 Ų128.483%0.83278%0.78SS**  trans-98.7125.4173.7-93.4-92.548.800109.5
862V29Very low32.2Very low140 Ų140130.9 Ų130.985%0.84879%0.787SS**  trans-161.9139.5157.1178.30000105.6
863G29.8Very low31.9Very low73 Ų73126.4 Ų126.475%0.75378%0.78SS**  cis127.393.9-5.400000113.7
864G29.8Very low32.7Very low84 Ų84126.5 Ų126.587%0.86678%0.779SS**  trans131.7136.7163.100000116.9
865G28.4Very low32.6Very low73 Ų73126.3 Ų126.375%0.75377%0.772SS**  trans100.1127.7162.700000116.8
866D30.2Very low32.5Very low154 Ų154130.2 Ų130.282%0.82477%0.768SS**  cis-164.9177.8-15.2-140.4-48.3000111.8
867V31.2Very low32.4Very low123 Ų123132 Ų13275%0.74576%0.761SS**  trans64.1146.7171.5-112.20000116.8
868H28Very low32.3Very low142 Ų142132.2 Ų132.266%0.65776%0.762SS**  cis-160.3156.213.2-170.147000112.9
869R27Very low32.3Very low187 Ų187137.1 Ų137.171%0.70677%0.773SS**  trans66.7159.3163-80.4176.8-172-107.112.7119.6
870Q31.8Very low32.1Very low141 Ų141137 Ų13766%0.65977%0.768SS**  cis-171168.5-36.3-124.5-179.5-19.300109.2
871S28.2Very low32Very low118 Ų118132.9 Ų132.983%0.82576%0.759SS**  trans62.7150.4170.448.80000117.6
872S31.3Very low31.9Very low119 Ų119130 Ų13083%0.83275%0.749SS**  cis-158160.3-12.239.80000112.1
873L32Very low32Very low155 Ų155131.8 Ų131.881%0.81275%0.748SS**  trans-71.1172.2171.3-80.4175.6000112
874P53Low32.1Very low111 Ų111131.4 Ų131.472%0.72174%0.743SS**  cis-147.1156.541.146.3-25.6000119.1
875V32.4Very low32.3Very low120 Ų120135 Ų13573%0.72775%0.748SS**  63.4130.6109.2-177.40000114.2
876R33.2Very low32.9Very low202 Ų202135.5 Ų135.576%0.76275%0.745SS**  cis-115.317537-56.2176.173.5117.612.9113.1
877E33.2Very low34.2Very low134 Ų134134.2 Ų134.263%0.62675%0.745SS**  cis-120.1-115.91.6-161.677.8-11000111.2
878A33.2Very low34.2Very low85 Ų85132.2 Ų132.270%0.70274%0.742SS**  cis-154.3154.60.500000110.6
879L31.8Very low35Very low164 Ų164134.1 Ų134.186%0.85975%0.751SS**  trans-148.4148.7-172.9-71.7175.4000112.1
880N31.8Very low36Very low131 Ų131129 Ų12970%0.70175%0.749SS**  cis-169166.1-16.4-167.34.8000109.6
881Q31.5Very low36.9Very low156 Ų156128.4 Ų128.473%0.72976%0.757SS**  trans71.5152.7167.1-48.6-168.1107.900116.5
882L32.9Very low37.9Very low117 Ų117128.7 Ų128.761%0.61376%0.757SS**  cis-154.9141.7-3.8-151.666.2000110.8
883H31.8Very low38.2Very low179 Ų179128.5 Ų128.583%0.82976%0.756SS**  trans59165.3172.2-50.8131.7000116.1
884G31.2Very low39.1Very low64 Ų64127.3 Ų127.366%0.6676%0.758SS**  cis151.7125.6-1100000112.5
885V33.3Very low38.5Very low160 Ų160127.7 Ų127.797%0.9776%0.763SS**  trans82154.1174.9-167.80000116.6
886A40.9Very low39.3Very low83 Ų83125 Ų12569%0.68676%0.76SS**  trans-86.3-177.1-167.100000114.6
887P57.8Low40.4Very low127 Ų127121.3 Ų121.383%0.82576%0.762SS**  cis-97.3-156.540.740.6-41.8000114.9
888A32.4Very low41.3Very low82 Ų82118.7 Ų118.768%0.67877%0.771SS**  cis-152176.910.600000110.1
889Q44.8Very low42.7Very low181 Ų181119.1 Ų119.185%0.84677%0.765SS**  cis70.9146.423.5-51.7-640.500115.5
890A46.3Very low44.8Very low80 Ų80114.1 Ų114.166%0.66174%0.744SS**  cis-173173.3-17.100000106.9
891P52.4Low47Very low128 Ų128116 Ų11683%0.83174%0.741SS**  cis-123.6-168.15.344-28.6000114.5
892C48.2Very low49.5Very low124 Ų124115.6 Ų115.684%0.83874%0.739SS**  trans-100.4169-171.7-650000115.4
893S37.8Very low52.1Low116 Ų116115.3 Ų115.381%0.81173%0.734SS**  trans-147.2151.6162.9-80.30000110.9
894P51.8Low54.9Low129 Ų129112.3 Ų112.384%0.83872%0.721SS**PPolyproline II helixtrans-83.1134.6-161.931.4-35.4000114.1
895S40Very low57.7Low120 Ų120115.8 Ų115.884%0.83972%0.72SS**PPolyproline II helixtrans-77.3123.6167.941.70000110.9
896G48.9Very low60.6Low64 Ų64113.6 Ų113.666%0.6670%0.702SS**PPolyproline II helixtrans-65.8149.3178.900000112.9G898G896-G898 PolarHBondContact O-N 3.18Å
897P55.2Low63.2Low123 Ų123115.6 Ų115.680%0.79970%0.697SS**PPolyproline II helixtrans-66.3124.3-177.227-34.3000111.3V899P897-V899 PolarHBondContact O-N 3.4Å
898G53.6Low64.9Low80 Ų80114.5 Ų114.583%0.82568%0.684SS**  trans-63.9103.2178.600000112G896 S900G896-G898 PolarHBondContact O-N 3.18Å; G898-S900 PolarHBondContact O-N 2.99Å
899V61.8Low67.9Low94 Ų94115.4 Ų115.457%0.5767%0.674SS**  trans-56124.2179.1-171.90000109.8P897 Q903P897-V899 PolarHBondContact O-N 3.4Å; V899-Q903 HydrophobicContact CG1-CB 4.06Å; V899-Q903 HydrophobicContact CG1-CG 3.94Å
900S75.8Confident70.3Confident59 Ų59112.9 Ų112.941%0.41366%0.662SS.*  trans-64.7144.9-173.275.30000111.8G898 Q902 Q903 Q904G898-S900 PolarHBondContact O-N 2.99Å; S900-Q902 PolarHBondContact O-N 3.27Å; S900-Q902 VanDerWaalsContact O-N 3.08Å; S900-Q903 WeakPolarHBondContact O-CA 3.34Å; S900-Q903 WeakPolarHBondContact O-CB 3.49Å; S900-Q903 PolarHBondContact O-N 2.67Å; S900-Q903 WeakPolarHBondContact OG-CB 3.3Å; S900-Q903 PolarHBondContact OG-N 3.31Å; S900-Q904 PolarHBondContact O-N 3.46Å
901R78.2Confident72.7Confident170 Ų170114.9 Ų114.964%0.64266%0.658SS**Hα-helixtrans-55.5-31.1-179.9-170.1180-178.9-132.41.7112.9Q905R901-Q905 PolarHBondContact O-N 2.95Å; R901-Q905 VanDerWaalsContact O-N 3.1Å
902Q83.9Confident74.8Confident147 Ų147115.2 Ų115.269%0.68765%0.648SS**Hα-helixtrans-69.7-41.7175.5-171.217940.600112.2S900 Q905 L906S900-Q902 PolarHBondContact O-N 3.27Å; S900-Q902 VanDerWaalsContact O-N 3.08Å; Q902-Q905 PolarHBondContact O-N 2.93Å; Q902-L906 HydrophobicContact CG-CD1 4.48Å; Q902-L906 PolarHBondContact O-N 3.29Å
903Q88.1Confident77.1Confident111 Ų111113.9 Ų113.952%0.51963%0.632SS.*Hα-helixtrans-66.1-39.8175.9-173.8174.29.800111.5V899 S900 Q905 L906 Q907V899-Q903 HydrophobicContact CG1-CB 4.06Å; V899-Q903 HydrophobicContact CG1-CG 3.94Å; S900-Q903 WeakPolarHBondContact O-CA 3.34Å; S900-Q903 WeakPolarHBondContact O-CB 3.49Å; S900-Q903 PolarHBondContact O-N 2.67Å; S900-Q903 WeakPolarHBondContact OG-CB 3.3Å; S900-Q903 PolarHBondContact OG-N 3.31Å; Q903-Q905 VanDerWaalsContact C-N 3.34Å; Q903-Q905 PolarHBondContact O-N 3.47Å; Q903-L906 PolarHBondContact O-N 3.31Å; Q903-Q907 WeakPolarHBondContact O-CB 3.4Å; Q903-Q907 PolarHBondContact O-N 2.91Å
904Q90.1Very high79.9Confident116 Ų116114.4 Ų114.454%0.54262%0.622SS.*Hα-helixtrans-61.1-41.6172.6-168-179.83700111.9S900 Q907 L908S900-Q904 PolarHBondContact O-N 3.46Å; Q904-Q907 PolarHBondContact O-N 3.24Å; Q904-L908 WeakPolarHBondContact O-CG 3.47Å; Q904-L908 PolarHBondContact O-N 2.93Å
905Q91.3Very high82.1Confident137 Ų137113.6 Ų113.664%0.6461%0.61SS**Hα-helixtrans-66.6-38.5176.4-171.8174.9-0.100112.6R901 Q902 Q903 H909R901-Q905 PolarHBondContact O-N 2.95Å; R901-Q905 VanDerWaalsContact O-N 3.1Å; Q902-Q905 PolarHBondContact O-N 2.93Å; Q903-Q905 VanDerWaalsContact C-N 3.34Å; Q903-Q905 PolarHBondContact O-N 3.47Å; Q905-H909 PolarHBondContact O-N 3.25Å
906L93.8Very high84.7Confident115 Ų115114.8 Ų114.860%0.60260%0.6SS**Hα-helixtrans-63.1-41.3172.9-80.1161000112Q902 Q903 H909 Q910Q902-L906 HydrophobicContact CG-CD1 4.48Å; Q902-L906 PolarHBondContact O-N 3.29Å; Q903-L906 PolarHBondContact O-N 3.31Å; L906-H909 PolarHBondContact O-N 2.96Å; L906-Q910 PolarHBondContact O-N 3.43Å
907Q94.9Very high87Confident125 Ų125118.3 Ų118.358%0.58460%0.599SS**Hα-helixtrans-67.4-40.3178.4-166.6168.99.600112.2Q903 Q904 Q910 Q911Q903-Q907 WeakPolarHBondContact O-CB 3.4Å; Q903-Q907 PolarHBondContact O-N 2.91Å; Q904-Q907 PolarHBondContact O-N 3.24Å; Q907-Q910 PolarHBondContact O-N 3.46Å; Q907-Q911 WeakPolarHBondContact O-CB 3.47Å; Q907-Q911 PolarHBondContact O-N 2.96Å
908L94.3Very high89Confident103 Ų103118.8 Ų118.854%0.53959%0.591SS.*Hα-helixtrans-63.4-38.4171.8-72.4170.7000112.3Q904 Q911 Q912Q904-L908 WeakPolarHBondContact O-CG 3.47Å; Q904-L908 PolarHBondContact O-N 2.93Å; L908-Q911 PolarHBondContact O-N 2.65Å; L908-Q912 WeakPolarHBondContact O-CB 3.33Å; L908-Q912 PolarHBondContact O-N 3.28Å
909H94.7Very high91.1Very high101 Ų101120.2 Ų120.247%0.46858%0.579SS.*Hα-helixtrans-67.8-39.8176-17356000112.3Q905 L906 Q912 L913Q905-H909 PolarHBondContact O-N 3.25Å; L906-H909 PolarHBondContact O-N 2.96Å; H909-Q912 PolarHBondContact O-N 3Å; H909-L913 WeakPolarHBondContact O-CG 3.43Å; H909-L913 PolarHBondContact O-N 3.41Å
910Q95.9Very high92.8Very high129 Ų129121.2 Ų121.260%0.60358%0.577SS**Hα-helixtrans-61-46.1172.8-172.2-168.896.300111.5L906 Q907 Q912 L913 Q914L906-Q910 PolarHBondContact O-N 3.43Å; Q907-Q910 PolarHBondContact O-N 3.46Å; Q910-Q912 VanDerWaalsContact C-N 3.32Å; Q910-Q912 PolarHBondContact O-N 3.44Å; Q910-L913 WeakPolarHBondContact O-CB 3.34Å; Q910-L913 PolarHBondContact O-N 2.88Å; Q910-Q914 PolarHBondContact O-N 2.68Å
911Q96Very high93.7Very high122 Ų122124.4 Ų124.457%0.5759%0.586SS**Hα-helixtrans-60.1-41.5176.8-175.2-179.682.100111.8Q907 L908 L913 Q914 L915Q907-Q911 WeakPolarHBondContact O-CB 3.47Å; Q907-Q911 PolarHBondContact O-N 2.96Å; L908-Q911 PolarHBondContact O-N 2.65Å; Q911-L913 PolarHBondContact O-N 3.34Å; Q911-Q914 PolarHBondContact O-N 3.21Å; Q911-L915 WeakPolarHBondContact O-CB 3.29Å; Q911-L915 PolarHBondContact O-N 3.4Å
912Q96.6Very high94.7Very high135 Ų135121.9 Ų121.963%0.63159%0.585SS**Hα-helixtrans-63.3-39.4175.1-178.1177.680.900112.6L908 H909 Q910 K916L908-Q912 WeakPolarHBondContact O-CB 3.33Å; L908-Q912 PolarHBondContact O-N 3.28Å; H909-Q912 PolarHBondContact O-N 3Å; Q910-Q912 VanDerWaalsContact C-N 3.32Å; Q910-Q912 PolarHBondContact O-N 3.44Å; Q912-K916 WeakPolarHBondContact O-CB 3.32Å; Q912-K916 PolarHBondContact O-N 3.49Å
913L96.7Very high95.2Very high95 Ų95121.7 Ų121.750%0.49758%0.584SS.*Hα-helixtrans-65.2-42.4175.1-73.9167000111.9H909 Q910 Q911 K916 Q917H909-L913 WeakPolarHBondContact O-CG 3.43Å; H909-L913 PolarHBondContact O-N 3.41Å; Q910-L913 WeakPolarHBondContact O-CB 3.34Å; Q910-L913 PolarHBondContact O-N 2.88Å; Q911-L913 PolarHBondContact O-N 3.34Å; L913-K916 PolarHBondContact O-N 2.86Å; L913-Q917 PolarHBondContact O-N 3.38Å
914Q96.8Very high95.6Very high128 Ų128122.4 Ų122.460%0.59859%0.587SS**Hα-helixtrans-63.8-45.4177.5-170.1175.79.200111.8Q910 Q911 K916 Q917 Q918Q910-Q914 PolarHBondContact O-N 2.68Å; Q911-Q914 PolarHBondContact O-N 3.21Å; Q914-K916 VanDerWaalsContact C-N 3.34Å; Q914-K916 PolarHBondContact O-N 2.97Å; Q914-Q917 WeakPolarHBondContact O-CB 3.39Å; Q914-Q917 PolarHBondContact O-N 2.65Å; Q914-Q918 PolarHBondContact O-N 3.12Å
915L97Very high95.9Very high112 Ų112122.6 Ų122.659%0.58659%0.588SS**Hα-helixtrans-65.4-37.5177.3-164.3154000111.6Q911 Q918 L919Q911-L915 WeakPolarHBondContact O-CB 3.29Å; Q911-L915 PolarHBondContact O-N 3.4Å; L915-Q918 PolarHBondContact O-N 2.9Å; L915-L919 PolarHBondContact O-N 3.25Å
916K96.2Very high96.1Very high144 Ų144121.4 Ų121.463%0.62658%0.582SS**Hα-helixtrans-63.4-39.8172.9-174.5178.3178.8-177.90112.4Q912 L913 Q914 L919 Q920Q912-K916 WeakPolarHBondContact O-CB 3.32Å; Q912-K916 PolarHBondContact O-N 3.49Å; L913-K916 PolarHBondContact O-N 2.86Å; Q914-K916 VanDerWaalsContact C-N 3.34Å; Q914-K916 PolarHBondContact O-N 2.97Å; K916-L919 PolarHBondContact O-N 3.31Å; K916-Q920 PolarHBondContact O-N 3.44Å
917Q97.3Very high96.1Very high138 Ų138121.1 Ų121.165%0.64558%0.577SS**Hα-helixtrans-64.6-43.9175.4-177178.582.900111.5L913 Q914 L919 Q920 Q921L913-Q917 PolarHBondContact O-N 3.38Å; Q914-Q917 WeakPolarHBondContact O-CB 3.39Å; Q914-Q917 PolarHBondContact O-N 2.65Å; Q917-L919 VanDerWaalsContact C-N 3.35Å; Q917-L919 PolarHBondContact O-N 2.98Å; Q917-Q920 PolarHBondContact O-N 3.22Å; Q917-Q921 PolarHBondContact O-N 3.3Å
918Q96.5Very high96.2Very high133 Ų133120.3 Ų120.362%0.62158%0.577SS**Hα-helixtrans-60-43.3175.8-171-179.610.100111.9Q914 L915 Q920 Q921 L922Q914-Q918 PolarHBondContact O-N 3.12Å; L915-Q918 PolarHBondContact O-N 2.9Å; Q918-Q920 PolarHBondContact O-N 2.95Å; Q918-Q921 PolarHBondContact O-N 3Å; Q918-L922 PolarHBondContact O-N 3.49Å
919L97.6Very high96.3Very high110 Ų110121.7 Ų121.758%0.57658%0.58SS**Hα-helixtrans-63.4-39.6176.1-17662.5000112.3L915 K916 Q917 Q921 L922 Q923L915-L919 PolarHBondContact O-N 3.25Å; K916-L919 PolarHBondContact O-N 3.31Å; Q917-L919 VanDerWaalsContact C-N 3.35Å; Q917-L919 PolarHBondContact O-N 2.98Å; L919-Q921 VanDerWaalsContact C-N 3.33Å; L919-Q921 PolarHBondContact O-N 3.46Å; L919-L922 PolarHBondContact O-N 3.23Å; L919-Q923 WeakPolarHBondContact O-CB 3.38Å; L919-Q923 PolarHBondContact O-N 3.48Å
920Q97.1Very high96.3Very high115 Ų115120.5 Ų120.554%0.53758%0.577SS.*Hα-helixtrans-66.9-32.7175.9-171.617711.700112.6K916 Q917 Q918 Q924K916-Q920 PolarHBondContact O-N 3.44Å; Q917-Q920 PolarHBondContact O-N 3.22Å; Q918-Q920 PolarHBondContact O-N 2.95Å; Q920-Q924 PolarHBondContact O-N 3.36Å; Q920-Q924 PolarHBondContact O-NE2 3.29Å
921Q95.9Very high96.2Very high127 Ų127119.1 Ų119.159%0.59357%0.571SS**Hα-helixtrans-69.7-43.6173.5-167.717724.500111.2Q917 Q918 L919 Q923 Q924 Q925Q917-Q921 PolarHBondContact O-N 3.3Å; Q918-Q921 PolarHBondContact O-N 3Å; L919-Q921 VanDerWaalsContact C-N 3.33Å; L919-Q921 PolarHBondContact O-N 3.46Å; Q921-Q923 VanDerWaalsContact C-N 3.33Å; Q921-Q923 PolarHBondContact O-N 3.02Å; Q921-Q924 PolarHBondContact O-N 2.96Å; Q921-Q925 WeakPolarHBondContact O-CG 3.46Å; Q921-Q925 PolarHBondContact O-N 2.81Å
922L97.3Very high96.1Very high117 Ų117120.4 Ų120.461%0.61357%0.574SS**Hα-helixtrans-61.7-40.3175.7-172.966.2000112Q918 L919 Q924 Q925 H926Q918-L922 PolarHBondContact O-N 3.49Å; L919-L922 PolarHBondContact O-N 3.23Å; L922-Q924 VanDerWaalsContact C-N 3.35Å; L922-Q924 PolarHBondContact O-N 2.96Å; L922-Q925 PolarHBondContact O-N 3.36Å; L922-H926 PolarHBondContact O-N 3.24Å
923Q96.3Very high95.9Very high143 Ų143119.1 Ų119.167%0.66857%0.569SS**Hα-helixtrans-62.8-39.1175.9-16917926.600112.4L919 Q921 H927L919-Q923 WeakPolarHBondContact O-CB 3.38Å; L919-Q923 PolarHBondContact O-N 3.48Å; Q921-Q923 VanDerWaalsContact C-N 3.33Å; Q921-Q923 PolarHBondContact O-N 3.02Å; Q923-H927 PolarHBondContact O-N 3.45Å
924Q96Very high95.6Very high126 Ų126120.4 Ų120.459%0.58957%0.572SS**Hα-helixtrans-67.1-42.1174.2-78.1175.484.100112.2Q920 Q921 L922 H926 H927 L928Q920-Q924 PolarHBondContact O-N 3.36Å; Q920-Q924 PolarHBondContact O-NE2 3.29Å; Q921-Q924 PolarHBondContact O-N 2.96Å; L922-Q924 VanDerWaalsContact C-N 3.35Å; L922-Q924 PolarHBondContact O-N 2.96Å; Q924-H926 VanDerWaalsContact C-N 3.34Å; Q924-H926 PolarHBondContact O-N 2.71Å; Q924-H927 PolarHBondContact O-N 2.7Å; Q924-L928 PolarHBondContact O-N 3.19Å
925Q95.6Very high95.3Very high120 Ų120119.5 Ų119.556%0.56157%0.571SS**Hα-helixtrans-59-45.4174.6-70.9-69.2-7000111.5Q921 L922 H927 L928 Q929Q921-Q925 WeakPolarHBondContact O-CG 3.46Å; Q921-Q925 PolarHBondContact O-N 2.81Å; L922-Q925 PolarHBondContact O-N 3.36Å; Q925-H927 PolarHBondContact O-N 2.9Å; Q925-L928 PolarHBondContact O-N 3.37Å; Q925-Q929 WeakPolarHBondContact O-CB 3.21Å; Q925-Q929 PolarHBondContact O-N 3.19Å
926H95.1Very high94.8Very high112 Ų112115.9 Ų115.952%0.51956%0.557SS.*Hα-helixtrans-63.2-38.8176.4-173.4-101.4000112.7L922 Q924 Q929 L930L922-H926 PolarHBondContact O-N 3.24Å; Q924-H926 VanDerWaalsContact C-N 3.34Å; Q924-H926 PolarHBondContact O-N 2.71Å; H926-Q929 PolarHBondContact O-N 2.86Å; H926-L930 WeakPolarHBondContact O-CG 3.44Å; H926-L930 PolarHBondContact O-N 3.21Å
927H95.4Very high94Very high108 Ų108115.1 Ų115.150%0.556%0.556SS.*Hα-helixtrans-65.6-40.4174.2-170.682.2000112.3Q923 Q924 Q925 L930 Q931Q923-H927 PolarHBondContact O-N 3.45Å; Q924-H927 PolarHBondContact O-N 2.7Å; Q925-H927 PolarHBondContact O-N 2.9Å; H927-L930 PolarHBondContact O-N 3.35Å; H927-Q931 PolarHBondContact CD2-NE2 2.98Å; H927-Q931 PolarHBondContact NE2-NE2 3.4Å; H927-Q931 PolarHBondContact O-N 3.45Å
928L96.7Very high93.1Very high109 Ų109115.2 Ų115.257%0.57156%0.56SS**Hα-helixtrans-64.4-41176-153.883.2000111.5Q924 Q925 Q931 F932Q924-L928 PolarHBondContact O-N 3.19Å; Q925-L928 PolarHBondContact O-N 3.37Å; L928-Q931 PolarHBondContact O-N 3.05Å; L928-F932 PolarHBondContact O-N 3.47Å
929Q95.5Very high92.1Very high132 Ų132112.8 Ų112.862%0.61756%0.562SS**Hα-helixtrans-64.6-38.7175.3-170.5173.86.700111.8Q925 H926 F932 Q933Q925-Q929 WeakPolarHBondContact O-CB 3.21Å; Q925-Q929 PolarHBondContact O-N 3.19Å; H926-Q929 PolarHBondContact O-N 2.86Å; Q929-F932 PolarHBondContact O-N 2.99Å; Q929-Q933 WeakPolarHBondContact O-CB 3.34Å; Q929-Q933 PolarHBondContact O-N 3.38Å
930L95.3Very high90.5Very high75 Ų75115.3 Ų115.339%0.39357%0.572SS.*Hα-helixtrans-63.1-40.3172.1-77.8168000112.5H926 H927 Q933 Q934H926-L930 WeakPolarHBondContact O-CG 3.44Å; H926-L930 PolarHBondContact O-N 3.21Å; H927-L930 PolarHBondContact O-N 3.35Å; L930-Q933 PolarHBondContact O-N 3.22Å; L930-Q934 VanDerWaalsContact O-CG 3.29Å; L930-Q934 WeakPolarHBondContact O-CG 3.48Å; L930-Q934 PolarHBondContact O-N 3.01Å
931Q94.3Very high88.2Confident101 Ų101112.8 Ų112.847%0.47258%0.576SS.*Hα-helixtrans-64.3-42.5174.1-71.1-172.74.300111.7H927 L928 Q933 Q934 L935H927-Q931 PolarHBondContact CD2-NE2 2.98Å; H927-Q931 PolarHBondContact NE2-NE2 3.4Å; H927-Q931 PolarHBondContact O-N 3.45Å; L928-Q931 PolarHBondContact O-N 3.05Å; Q931-Q933 PolarHBondContact O-N 2.98Å; Q931-Q934 PolarHBondContact O-N 2.9Å; Q931-L935 WeakPolarHBondContact O-CB 3.47Å; Q931-L935 PolarHBondContact O-N 3.37Å
932F94.1Very high85.7Confident148 Ų148115.1 Ų115.165%0.64959%0.587SS**Hα-helixtrans-64.6-39.3175-167.8-96.4000112.1L928 Q929 Q934 L935 A936L928-F932 PolarHBondContact O-N 3.47Å; Q929-F932 PolarHBondContact O-N 2.99Å; F932-Q934 VanDerWaalsContact C-N 3.33Å; F932-Q934 PolarHBondContact O-N 3.45Å; F932-L935 PolarHBondContact O-N 3.49Å; F932-A936 WeakPolarHBondContact O-CB 3.49Å; F932-A936 PolarHBondContact O-N 3.47Å
933Q92.4Very high83.2Confident109 Ų109114.6 Ų114.651%0.50959%0.591SS.*Hα-helixtrans-62.9-37.2174.8-170.771.284.400112.1Q929 L930 Q931 Q937Q929-Q933 WeakPolarHBondContact O-CB 3.34Å; Q929-Q933 PolarHBondContact O-N 3.38Å; L930-Q933 PolarHBondContact O-N 3.22Å; Q931-Q933 PolarHBondContact O-N 2.98Å; Q933-Q937 WeakPolarHBondContact O-CG 3.49Å; Q933-Q937 PolarHBondContact O-N 2.7Å; Q933-Q937 PolarHBondContact O-NE2 3.01Å
934Q88.9Confident80.7Confident122 Ų122113.9 Ų113.957%0.5760%0.599SS**Hα-helixtrans-70.1-43.8174.2-72168.533.800111.7L930 Q931 F932 A936 Q937 L938L930-Q934 VanDerWaalsContact O-CG 3.29Å; L930-Q934 WeakPolarHBondContact O-CG 3.48Å; L930-Q934 PolarHBondContact O-N 3.01Å; Q931-Q934 PolarHBondContact O-N 2.9Å; F932-Q934 VanDerWaalsContact C-N 3.33Å; F932-Q934 PolarHBondContact O-N 3.45Å; Q934-A936 VanDerWaalsContact C-N 3.33Å; Q934-A936 PolarHBondContact O-N 3.01Å; Q934-Q937 PolarHBondContact O-N 2.98Å; Q934-L938 PolarHBondContact O-N 3.5Å
935L91.5Very high78.3Confident108 Ų108112.5 Ų112.557%0.56561%0.609SS**Hα-helixtrans-63.1-39.1176.6-174.862.2000111.9Q931 F932 L938 A939Q931-L935 WeakPolarHBondContact O-CB 3.47Å; Q931-L935 PolarHBondContact O-N 3.37Å; F932-L935 PolarHBondContact O-N 3.49Å; L935-L938 PolarHBondContact O-N 3.17Å; L935-A939 WeakPolarHBondContact O-CB 3.39Å; L935-A939 PolarHBondContact O-N 3.42Å
936A86.6Confident76.1Confident37 Ų37111 Ų11131%0.30663%0.625SS.*Hα-helixtrans-65.1-38.3174.600000112.6F932 Q934 A939 Q940F932-A936 WeakPolarHBondContact O-CB 3.49Å; F932-A936 PolarHBondContact O-N 3.47Å; Q934-A936 VanDerWaalsContact C-N 3.33Å; Q934-A936 PolarHBondContact O-N 3.01Å; A936-A939 PolarHBondContact O-N 3.37Å; A936-Q940 WeakPolarHBondContact O-CG 3.31Å; A936-Q940 PolarHBondContact O-N 2.72Å
937Q79.3Confident73.7Confident127 Ų127109.3 Ų109.359%0.59364%0.638SS**Hα-helixtrans-64.8-41.2172.3-76.8165.994.900111.6Q933 Q934 A939 Q940Q933-Q937 WeakPolarHBondContact O-CG 3.49Å; Q933-Q937 PolarHBondContact O-N 2.7Å; Q933-Q937 PolarHBondContact O-NE2 3.01Å; Q934-Q937 PolarHBondContact O-N 2.98Å; Q937-A939 VanDerWaalsContact C-N 3.33Å; Q937-A939 PolarHBondContact O-N 2.96Å; Q937-Q940 PolarHBondContact O-N 3.12Å
938L77.6Confident71.4Confident140 Ų140107.7 Ų107.773%0.73365%0.651SS**Hα-helixtrans-63.9-39.1176.3-157.977.1000111.8Q934 L935 Q940 G941Q934-L938 PolarHBondContact O-N 3.5Å; L935-L938 PolarHBondContact O-N 3.17Å; L938-Q940 VanDerWaalsContact C-N 3.3Å; L938-Q940 PolarHBondContact O-N 3.34Å; L938-G941 PolarHBondContact O-N 2.98Å
939A76.8Confident68.6Low82 Ų82108.9 Ų108.968%0.67866%0.662SS**Hα-helixtrans-71-19.8178.100000114.2L935 A936 Q937 G941L935-A939 WeakPolarHBondContact O-CB 3.39Å; L935-A939 PolarHBondContact O-N 3.42Å; A936-A939 PolarHBondContact O-N 3.37Å; Q937-A939 VanDerWaalsContact C-N 3.33Å; Q937-A939 PolarHBondContact O-N 2.96Å; A939-G941 VanDerWaalsContact C-N 3.3Å
940Q64Low66.4Low164 Ų164112 Ų11277%0.76668%0.68SS**THydrogen-bonded Turntrans-884.8173-68.6-66-32.400113A936 Q937 L938 Q942A936-Q940 WeakPolarHBondContact O-CG 3.31Å; A936-Q940 PolarHBondContact O-N 2.72Å; Q937-Q940 PolarHBondContact O-N 3.12Å; L938-Q940 VanDerWaalsContact C-N 3.3Å; L938-Q940 PolarHBondContact O-N 3.34Å; Q940-Q942 PolarHBondContact O-N 3.34Å
941G47.6Very low64.1Low62 Ų62113 Ų11364%0.63969%0.692SS**  trans-74.259.3177.900000114.7L938 A939L938-G941 PolarHBondContact O-N 2.98Å; A939-G941 VanDerWaalsContact C-N 3.3Å
942Q42.8Very low62Low175 Ų175111.9 Ų111.982%0.81870%0.696SS**  trans-72.3148.5159.3-88-145.8-40.800110.8Q940Q940-Q942 PolarHBondContact O-N 3.34Å
943P45.6Very low60Low106 Ų106110.3 Ų110.369%0.68870%0.699SS**  trans-67139.3171.729.6-34.2000110.1A945P943-A945 PolarHBondContact O-N 2.97Å; P943-A945 VanDerWaalsContact O-N 3.13Å
944P44.2Very low58Low129 Ų129108 Ų10884%0.83869%0.694SS**  trans-66115.2172.127.1-32.8000109.6
945A45Very low56.3Low97 Ų97108.3 Ų108.380%0.80270%0.696SS**  trans-58.9142.8166.200000109.7P943P943-A945 PolarHBondContact O-N 2.97Å; P943-A945 VanDerWaalsContact O-N 3.13Å
946G50Low54.6Low88 Ų88107.7 Ų107.791%0.90770%0.697SS**  trans-61.6134.3-165.400000114.6
947G44.8Very low53.1Low77 Ų77111.8 Ų111.879%0.79471%0.71SS**  trans-149.644.1-175.700000114.2
948G46.1Very low52.3Low73 Ų73113 Ų11375%0.75371%0.709SS**  trans47.799.7160.600000120.2
949T38Very low52Low134 Ų134110 Ų11082%0.82269%0.694SS**  trans-166.9127139.38.60000110.5
950M48.6Very low52.3Low199 Ų199107.9 Ų107.998%0.9868%0.68SS**  trans-106.798.9-177.1-66.6-173.972.100111.6
951S47.6Very low53.2Low94 Ų94105.8 Ų105.866%0.65767%0.668SS**  trans-160.7-29.5172.259.30000115.5T953S951-T953 PolarHBondContact O-N 3.44Å
952S50.3Low55Low79 Ų79107.7 Ų107.755%0.55266%0.663SS**THydrogen-bonded Turntrans-73.2-18.4-166.155.90000116.4S954 Q955S952-S954 VanDerWaalsContact C-N 3.3Å; S952-S954 PolarHBondContact O-N 2.7Å; S952-Q955 PolarHBondContact O-N 3.23Å
953T51.3Low57.1Low115 Ų115104.9 Ų104.971%0.70665%0.653SS**Hα-helixtrans-65.6-26.7-174.151.70000114.3S951 T956S951-T953 PolarHBondContact O-N 3.44Å; T953-T956 PolarHBondContact O-OG1 3Å
954S50.9Low59.2Low59 Ų59104.5 Ų104.541%0.41364%0.642SS.*Hα-helixtrans-76.4-26.1179.379.60000113S952 R958S952-S954 VanDerWaalsContact C-N 3.3Å; S952-S954 PolarHBondContact O-N 2.7Å; S954-R958 WeakPolarHBondContact O-CG 3.28Å; S954-R958 PolarHBondContact O-N 3.16Å; S954-R958 PolarHBondContact O-NH1 2.83Å; S954-R958 PolarHBondContact OG-NH1 2.97Å
955Q53.6Low61.4Low129 Ų129101.6 Ų101.660%0.60362%0.621SS**Hα-helixtrans-80.5-48.1-175.5-169.2163.7-8.500110.7S952 Q957 R958 D959S952-Q955 PolarHBondContact O-N 3.23Å; Q955-Q957 PolarHBondContact O-N 3.11Å; Q955-R958 WeakPolarHBondContact O-CB 3.32Å; Q955-R958 PolarHBondContact O-N 3.27Å; Q955-D959 PolarHBondContact O-N 3.1Å
956T56.1Low63.7Low96 Ų96101.1 Ų101.159%0.58960%0.604SS**Hα-helixtrans-59.1-31.3174.248.20000113.2T953 G960T953-T956 PolarHBondContact O-OG1 3Å; T956-G960 PolarHBondContact O-N 3.18Å
957Q55.8Low65.7Low122 Ų122100.3 Ų100.357%0.5758%0.577SS**Hα-helixtrans-71.3-34.9173.8-155.8-159.166.300112.9Q955 K961Q955-Q957 PolarHBondContact O-N 3.11Å; Q957-K961 WeakPolarHBondContact O-CG 3.38Å; Q957-K961 PolarHBondContact O-N 3.3Å; Q957-K961 VanDerWaalsContact O-N 3.14Å; Q957-K961 VanDerWaalsContact OE1-NZ 3.11Å
958R62.2Low68Low154 Ų154104.7 Ų104.758%0.58157%0.57SS**Hα-helixtrans-68.7-44.2172.9-69.9-179.3-167.693.5-12.6110.8S954 Q955 G960 K961 L962S954-R958 WeakPolarHBondContact O-CG 3.28Å; S954-R958 PolarHBondContact O-N 3.16Å; S954-R958 PolarHBondContact O-NH1 2.83Å; S954-R958 PolarHBondContact OG-NH1 2.97Å; Q955-R958 WeakPolarHBondContact O-CB 3.32Å; Q955-R958 PolarHBondContact O-N 3.27Å; R958-G960 VanDerWaalsContact C-N 3.35Å; R958-G960 PolarHBondContact O-N 3.07Å; R958-K961 PolarHBondContact O-N 2.96Å; R958-L962 WeakPolarHBondContact O-CB 3.49Å; R958-L962 PolarHBondContact O-N 3.29Å
959D70.7Confident70.2Confident77 Ų77107.7 Ų107.741%0.41256%0.562SS.*Hα-helixtrans-64.8-38.6178.7-63.8-28.9000111.6Q955 L962 L963Q955-D959 PolarHBondContact O-N 3.1Å; D959-L962 PolarHBondContact O-N 2.93Å; D959-L963 WeakPolarHBondContact O-CB 3.39Å; D959-L963 VanDerWaalsContact O-CG 3.31Å; D959-L963 WeakPolarHBondContact O-CG 3.48Å; D959-L963 PolarHBondContact O-N 3.3Å
960G83.5Confident72.8Confident37 Ų37108.3 Ų108.338%0.38155%0.549SS..Hα-helixtrans-60.8-46.8171.800000113.1T956 R958 L962 L963 E964T956-G960 PolarHBondContact O-N 3.18Å; R958-G960 VanDerWaalsContact C-N 3.35Å; R958-G960 PolarHBondContact O-N 3.07Å; G960-L962 VanDerWaalsContact C-N 3.33Å; G960-L962 PolarHBondContact O-N 2.91Å; G960-L963 PolarHBondContact O-N 3.21Å; G960-E964 PolarHBondContact O-N 3.01Å
961K82.3Confident74.7Confident120 Ų120101.8 Ų101.852%0.52252%0.523SS..Hα-helixtrans-62.9-38.5174.2-74.7170.2173.8168.10112Q957 R958 E964 V965Q957-K961 WeakPolarHBondContact O-CG 3.38Å; Q957-K961 PolarHBondContact O-N 3.3Å; Q957-K961 VanDerWaalsContact O-N 3.14Å; Q957-K961 VanDerWaalsContact OE1-NZ 3.11Å; R958-K961 PolarHBondContact O-N 2.96Å; K961-E964 PolarHBondContact O-N 2.94Å; K961-V965 WeakPolarHBondContact O-CG2 3.49Å; K961-V965 PolarHBondContact O-N 3.08Å
962L86.3Confident76.8Confident101 Ų101101.5 Ų101.553%0.52951%0.513SS..Hα-helixtrans-65.1-43.3176.5-179.759.5000111.6R958 D959 G960 V965 I966R958-L962 WeakPolarHBondContact O-CB 3.49Å; R958-L962 PolarHBondContact O-N 3.29Å; D959-L962 PolarHBondContact O-N 2.93Å; G960-L962 VanDerWaalsContact C-N 3.33Å; G960-L962 PolarHBondContact O-N 2.91Å; L962-V965 PolarHBondContact O-N 2.88Å; L962-I966 HydrophobicContact CD1-CD1 4.25Å; L962-I966 HydrophobicContact CD1-CG1 4.49Å; L962-I966 HydrophobicContact CG-CD1 3.98Å; L962-I966 WeakPolarHBondContact O-CB 3.46Å; L962-I966 VanDerWaalsContact O-CG1 3.23Å; L962-I966 WeakPolarHBondContact O-CG1 3.23Å; L962-I966 PolarHBondContact O-N 3.35Å
963L86Confident78.6Confident116 Ų116101.6 Ų101.661%0.60751%0.513SS*.Hα-helixtrans-62.1-40.8173.9-74.3166.7000112.1D959 G960 I966 E967D959-L963 WeakPolarHBondContact O-CB 3.39Å; D959-L963 VanDerWaalsContact O-CG 3.31Å; D959-L963 WeakPolarHBondContact O-CG 3.48Å; D959-L963 PolarHBondContact O-N 3.3Å; G960-L963 PolarHBondContact O-N 3.21Å; L963-I966 PolarHBondContact O-N 2.87Å; L963-E967 PolarHBondContact O-N 3.48Å
964E89.6Confident80.5Confident99 Ų99101.8 Ų101.846%0.46350%0.504SS..Hα-helixtrans-63.1-44.4174.8-158.4-159.1148.500111.7G960 K961 I966 E967 R968G960-E964 PolarHBondContact O-N 3.01Å; K961-E964 PolarHBondContact O-N 2.94Å; E964-I966 VanDerWaalsContact C-N 3.31Å; E964-I966 PolarHBondContact O-N 3.34Å; E964-E967 PolarHBondContact O-N 3.47Å; E964-R968 WeakPolarHBondContact O-CB 3.49Å; E964-R968 WeakPolarHBondContact O-CG 3.33Å; E964-R968 PolarHBondContact O-N 2.87Å; E964-R968 IonicContact OE1-CZ 3.07Å; E964-R968 IonicContact OE1-NE 2.74Å; E964-R968 PolarHBondContact OE1-NE 2.99Å; E964-R968 IonicContact OE1-NH2 2.66Å; E964-R968 PolarHBondContact OE1-NH2 2.98Å
965V90.6Very high82.3Confident67 Ų67104.2 Ų104.241%0.40651%0.509SS..Hα-helixtrans-63.4-36.4174.9169.40000111.7K961 L962 K969K961-V965 WeakPolarHBondContact O-CG2 3.49Å; K961-V965 PolarHBondContact O-N 3.08Å; L962-V965 PolarHBondContact O-N 2.88Å; V965-K969 HydrophobicContact CG1-CD 4.16Å; V965-K969 VanDerWaalsContact O-CB 3.32Å; V965-K969 WeakPolarHBondContact O-CB 3.33Å; V965-K969 VanDerWaalsContact O-CG 3.3Å; V965-K969 WeakPolarHBondContact O-CG 3.49Å; V965-K969 PolarHBondContact O-N 3.33Å
966I92.9Very high83.9Confident87 Ų87101.7 Ų101.745%0.44650%0.499SS..Hα-helixtrans-64.6-49.2175.4-73.8163.9000110.8L962 L963 E964 K969 R970L962-I966 HydrophobicContact CD1-CD1 4.25Å; L962-I966 HydrophobicContact CD1-CG1 4.49Å; L962-I966 HydrophobicContact CG-CD1 3.98Å; L962-I966 WeakPolarHBondContact O-CB 3.46Å; L962-I966 VanDerWaalsContact O-CG1 3.23Å; L962-I966 WeakPolarHBondContact O-CG1 3.23Å; L962-I966 PolarHBondContact O-N 3.35Å; L963-I966 PolarHBondContact O-N 2.87Å; E964-I966 VanDerWaalsContact C-N 3.31Å; E964-I966 PolarHBondContact O-N 3.34Å; I966-K969 PolarHBondContact O-N 2.94Å; I966-R970 WeakPolarHBondContact O-CB 3.3Å; I966-R970 PolarHBondContact O-N 3.08Å
967E93Very high85.2Confident71 Ų71105.2 Ų105.233%0.33251%0.506SS..Hα-helixtrans-73.5-34.2-179.1-164.360.6-142.600112L963 E964 K969 R970 C971 K974L963-E967 PolarHBondContact O-N 3.48Å; E964-E967 PolarHBondContact O-N 3.47Å; E967-K969 PolarHBondContact O-N 3.09Å; E967-R970 WeakPolarHBondContact O-CB 3.42Å; E967-R970 PolarHBondContact O-N 3.37Å; E967-R970 VanDerWaalsContact O-N 3.13Å; E967-R970 WeakPolarHBondContact OE1-CD 3.42Å; E967-R970 IonicContact OE1-NH1 2.65Å; E967-R970 WeakPolarHBondContact OE2-CD 3.47Å; E967-R970 IonicContact OE2-CZ 3.72Å; E967-R970 IonicContact OE2-NE 2.68Å; E967-R970 IonicContact OE2-NH1 2.65Å; E967-R970 PolarHBondContact OE2-NH1 3.1Å; E967-C971 PolarHBondContact O-N 3.01Å; E967-C971 PolarHBondContact O-SG 2.98Å; E967-K974 IonicContact OE1-NZ 2.72Å
968R92.3Very high86Confident169 Ų169102.3 Ų102.364%0.63850%0.503SS*.Hα-helixtrans-56.5-48.2167.4-76.2-175.5-173.7-146.88.6111.3E964 R970 C971 L972E964-R968 WeakPolarHBondContact O-CB 3.49Å; E964-R968 WeakPolarHBondContact O-CG 3.33Å; E964-R968 PolarHBondContact O-N 2.87Å; E964-R968 IonicContact OE1-CZ 3.07Å; E964-R968 IonicContact OE1-NE 2.74Å; E964-R968 PolarHBondContact OE1-NE 2.99Å; E964-R968 IonicContact OE1-NH2 2.66Å; E964-R968 PolarHBondContact OE1-NH2 2.98Å; R968-R970 VanDerWaalsContact C-N 3.32Å; R968-R970 PolarHBondContact O-N 3.23Å; R968-C971 PolarHBondContact O-N 3Å; R968-L972 WeakPolarHBondContact O-CB 3.48Å; R968-L972 PolarHBondContact O-N 3.27Å
969K93.3Very high86.2Confident136 Ų136102 Ų10259%0.59151%0.507SS*.Hα-helixtrans-63.4-35.5174.9-77.8178.4177.9179.50112.2V965 I966 E967 C973V965-K969 HydrophobicContact CG1-CD 4.16Å; V965-K969 VanDerWaalsContact O-CB 3.32Å; V965-K969 WeakPolarHBondContact O-CB 3.33Å; V965-K969 VanDerWaalsContact O-CG 3.3Å; V965-K969 WeakPolarHBondContact O-CG 3.49Å; V965-K969 PolarHBondContact O-N 3.33Å; I966-K969 PolarHBondContact O-N 2.94Å; E967-K969 PolarHBondContact O-N 3.09Å; K969-C973 VanDerWaalsContact O-CB 3.3Å; K969-C973 WeakPolarHBondContact O-CB 3.48Å; K969-C973 PolarHBondContact O-N 3Å; K969-C973 PolarHBondContact O-SG 3.14Å
970R92.6Very high85.8Confident148 Ų148108 Ų10856%0.55852%0.524SS*.Hα-helixtrans-68.2-39.9177-160.5-175-175.4-168.11.1112I966 E967 R968 C973 K974I966-R970 WeakPolarHBondContact O-CB 3.3Å; I966-R970 PolarHBondContact O-N 3.08Å; E967-R970 WeakPolarHBondContact O-CB 3.42Å; E967-R970 PolarHBondContact O-N 3.37Å; E967-R970 VanDerWaalsContact O-N 3.13Å; E967-R970 WeakPolarHBondContact OE1-CD 3.42Å; E967-R970 IonicContact OE1-NH1 2.65Å; E967-R970 WeakPolarHBondContact OE2-CD 3.47Å; E967-R970 IonicContact OE2-CZ 3.72Å; E967-R970 IonicContact OE2-NE 2.68Å; E967-R970 IonicContact OE2-NH1 2.65Å; E967-R970 PolarHBondContact OE2-NH1 3.1Å; R968-R970 VanDerWaalsContact C-N 3.32Å; R968-R970 PolarHBondContact O-N 3.23Å; R970-C973 PolarHBondContact O-N 3.1Å; R970-K974 WeakPolarHBondContact O-CG 3.46Å; R970-K974 PolarHBondContact O-N 3.31Å
971C88.9Confident84Confident62 Ų62115.2 Ų115.242%0.41954%0.54SS..Hα-helixtrans-64.1-49.7171.7-73.50000111.7E967 R968 C973 K974 E975E967-C971 PolarHBondContact O-N 3.01Å; E967-C971 PolarHBondContact O-SG 2.98Å; R968-C971 PolarHBondContact O-N 3Å; C971-C973 VanDerWaalsContact C-N 3.26Å; C971-C973 PolarHBondContact O-N 3.46Å; C971-K974 WeakPolarHBondContact O-CA 3.44Å; C971-K974 WeakPolarHBondContact O-CB 3.34Å; C971-K974 PolarHBondContact O-N 3.38Å; C971-E975 WeakPolarHBondContact O-CB 3.47Å; C971-E975 PolarHBondContact O-N 3.19Å
972L91.9Very high82.5Confident87 Ų87114 Ų11446%0.45554%0.544SS..Hα-helixtrans-58.3-37.8175.3-176.463.7000112.1R968 E975 I976R968-L972 WeakPolarHBondContact O-CB 3.48Å; R968-L972 PolarHBondContact O-N 3.27Å; L972-E975 PolarHBondContact O-N 3.32Å; L972-I976 HydrophobicContact CD1-CD1 4.02Å; L972-I976 HydrophobicContact CD1-CG1 4.26Å; L972-I976 HydrophobicContact CD2-CD1 4.47Å; L972-I976 HydrophobicContact CG-CD1 3.82Å; L972-I976 HydrophobicContact CG-CG1 4.43Å; L972-I976 WeakPolarHBondContact O-CB 3.25Å; L972-I976 VanDerWaalsContact O-CG1 3.25Å; L972-I976 WeakPolarHBondContact O-CG1 3.48Å; L972-I976 PolarHBondContact O-N 3.41Å
973C87.8Confident80.6Confident81 Ų81116.2 Ų116.255%0.54756%0.557SS.*Hα-helixtrans-69.7-33.8173.8-75.90000113.5K969 R970 C971 K977K969-C973 VanDerWaalsContact O-CB 3.3Å; K969-C973 WeakPolarHBondContact O-CB 3.48Å; K969-C973 PolarHBondContact O-N 3Å; K969-C973 PolarHBondContact O-SG 3.14Å; R970-C973 PolarHBondContact O-N 3.1Å; C971-C973 VanDerWaalsContact C-N 3.26Å; C971-C973 PolarHBondContact O-N 3.46Å; C973-K977 WeakPolarHBondContact O-CB 3.4Å; C973-K977 PolarHBondContact O-N 3.48Å; C973-K977 VanDerWaalsContact O-N 3.09Å
974K89.9Confident78.9Confident119 Ų119119.8 Ų119.852%0.51757%0.568SS.*Hα-helixtrans-64.6-45.1170.9-72.1163.8-180166.80110.3E967 R970 C971 K977 A978E967-K974 IonicContact OE1-NZ 2.72Å; R970-K974 WeakPolarHBondContact O-CG 3.46Å; R970-K974 PolarHBondContact O-N 3.31Å; C971-K974 WeakPolarHBondContact O-CA 3.44Å; C971-K974 WeakPolarHBondContact O-CB 3.34Å; C971-K974 PolarHBondContact O-N 3.38Å; K974-K977 PolarHBondContact O-N 3.23Å; K974-A978 PolarHBondContact O-N 3.48Å
975E88.8Confident76.8Confident111 Ų111119.3 Ų119.352%0.51958%0.575SS.*Hα-helixtrans-63.4-54.6179-178.7175.7-160.300112C971 L972 K977 A978 H979C971-E975 WeakPolarHBondContact O-CB 3.47Å; C971-E975 PolarHBondContact O-N 3.19Å; L972-E975 PolarHBondContact O-N 3.32Å; E975-K977 PolarHBondContact O-N 3.16Å; E975-A978 WeakPolarHBondContact O-CA 3.41Å; E975-A978 WeakPolarHBondContact O-CB 3.5Å; E975-A978 PolarHBondContact O-N 3.26Å; E975-H979 PolarHBondContact O-CD2 2.83Å; E975-H979 VanDerWaalsContact O-CD2 3.31Å; E975-H979 PolarHBondContact O-N 3.45Å
976I87.6Confident74.5Confident76 Ų76124.2 Ų124.239%0.3960%0.598SS.*Hα-helixtrans-57-34.6174.5-68.2169.5000111L972 R980L972-I976 HydrophobicContact CD1-CD1 4.02Å; L972-I976 HydrophobicContact CD1-CG1 4.26Å; L972-I976 HydrophobicContact CD2-CD1 4.47Å; L972-I976 HydrophobicContact CG-CD1 3.82Å; L972-I976 HydrophobicContact CG-CG1 4.43Å; L972-I976 WeakPolarHBondContact O-CB 3.25Å; L972-I976 VanDerWaalsContact O-CG1 3.25Å; L972-I976 WeakPolarHBondContact O-CG1 3.48Å; L972-I976 PolarHBondContact O-N 3.41Å; I976-R980 HydrophobicContact CG2-CG 4.21Å; I976-R980 WeakPolarHBondContact O-CB 3.42Å; I976-R980 VanDerWaalsContact O-CG 3.29Å; I976-R980 WeakPolarHBondContact O-CG 3.49Å; I976-R980 PolarHBondContact O-N 3.23Å
977K82.6Confident72Confident170 Ų170126.4 Ų126.474%0.73962%0.62SS**Hα-helixtrans-74.9-24.6176.2-172.3172.6-178.4178.30113.6C973 K974 E975C973-K977 WeakPolarHBondContact O-CB 3.4Å; C973-K977 PolarHBondContact O-N 3.48Å; C973-K977 VanDerWaalsContact O-N 3.09Å; K974-K977 PolarHBondContact O-N 3.23Å; E975-K977 PolarHBondContact O-N 3.16Å
978A73.6Confident69.5Low61 Ų61132.3 Ų132.350%0.50464%0.644SS.*Hα-helixtrans-72.9-48.5168.700000110.7K974 E975 R980 R981K974-A978 PolarHBondContact O-N 3.48Å; E975-A978 WeakPolarHBondContact O-CA 3.41Å; E975-A978 WeakPolarHBondContact O-CB 3.5Å; E975-A978 PolarHBondContact O-N 3.26Å; A978-R980 VanDerWaalsContact C-N 3.31Å; A978-R980 PolarHBondContact O-N 3.31Å; A978-R981 PolarHBondContact O-N 3.07Å
979H66.6Low67Low146 Ų146133.4 Ų133.468%0.67666%0.656SS**Hα-helixtrans-69-22.5177.2-74.2-77.3000114.2E975 R981E975-H979 PolarHBondContact O-CD2 2.83Å; E975-H979 VanDerWaalsContact O-CD2 3.31Å; E975-H979 PolarHBondContact O-N 3.45Å; H979-R981 VanDerWaalsContact C-N 3.33Å
980R62.9Low64.4Low205 Ų205134.6 Ų134.677%0.77467%0.67SS**THydrogen-bonded Turntrans-92.923.1171.4-68.4-176.7-180-1131.8113.7I976 A978I976-R980 HydrophobicContact CG2-CG 4.21Å; I976-R980 WeakPolarHBondContact O-CB 3.42Å; I976-R980 VanDerWaalsContact O-CG 3.29Å; I976-R980 WeakPolarHBondContact O-CG 3.49Å; I976-R980 PolarHBondContact O-N 3.23Å; A978-R980 VanDerWaalsContact C-N 3.31Å; A978-R980 PolarHBondContact O-N 3.31Å
981R45.9Very low62.1Low187 Ų187132.1 Ų132.171%0.70668%0.675SS**SBendtrans-61.1133153.6-78.3-168.9170.8-160.4-1107.8A978 H979 D983A978-R981 PolarHBondContact O-N 3.07Å; H979-R981 VanDerWaalsContact C-N 3.33Å; R981-D983 PolarHBondContact O-N 3.06Å
982P50.8Low59.6Low94 Ų94137.1 Ų137.161%0.6169%0.694SS**  trans-75.2112.5-172.528.7-34.1000110.5K984P982-K984 HydrophobicContact CB-CD 4.07Å; P982-K984 HydrophobicContact CB-CG 4.12Å; P982-K984 PolarHBondContact O-N 3.03Å
983D44.5Very low57.6Low149 Ų149138.6 Ų138.680%0.79771%0.709SS**  trans-67.969169.9-70.7-44.8000111.3R981 S985R981-D983 PolarHBondContact O-N 3.06Å; D983-S985 PolarHBondContact O-N 3.03Å
984K51Low55.2Low191 Ų191142.7 Ų142.783%0.8372%0.723SS**  trans-94.838.2174.7-71176.5179.6-177.60110.8P982P982-K984 HydrophobicContact CB-CD 4.07Å; P982-K984 HydrophobicContact CB-CG 4.12Å; P982-K984 PolarHBondContact O-N 3.03Å
985S44.8Very low52.6Low88 Ų88144.4 Ų144.462%0.61574%0.738SS**SBendtrans-146.5119.3173.753.50000110.4D983D983-S985 PolarHBondContact O-N 3.03Å
986L43.7Very low50.7Low170 Ų170144.7 Ų144.789%0.8975%0.749SS**  trans70.661.5161.1-51.6174.3000117.5
987C39.4Very low48Very low134 Ų134146.7 Ų146.791%0.90577%0.769SS**  trans-100.184.3136-172.30000109.3
988K41.2Very low45.7Very low195 Ų195148.9 Ų148.985%0.84877%0.773SS**SBendtrans-141.2136.3156.9-78.4-157.4172.9-169.40107.6
989Q39.1Very low43.9Very low191 Ų191154.9 Ų154.989%0.89378%0.783SS**  trans-57.4137.6-163.6-64.3169.1-55.800113.2
990D39.9Very low42.5Very low162 Ų162158.6 Ų158.687%0.86679%0.791SS**  trans-95.3113.6159.9-161-12.8000107.9
991S43.1Very low41.1Very low95 Ų95155.7 Ų155.766%0.66480%0.796SS**  trans-165.7123.2176.2-83.10000112.4
992M37.4Very low41.1Very low167 Ų167152.3 Ų152.382%0.82380%0.799SS**  trans80.5121.6169.8-61.8-68.397.900118.6
993P48.8Very low40.2Very low118 Ų118155 Ų15577%0.76680%0.803SS**  trans-88.5155.3173.636.8-34.5000112.3
994I37.4Very low39.9Very low167 Ų167153.4 Ų153.486%0.85680%0.801SS**  trans-126.4129.1172.4-62.2179.9000109.8
995L35.6Very low39.2Very low156 Ų156155.3 Ų155.382%0.81780%0.803SS**  trans-87.5160.6178.7-79.8172.1000111.9
996P48.7Very low38.9Very low116 Ų116159.7 Ų159.775%0.75381%0.811SS**  trans-77.9129.6-161.229.5-35.8000114.3
997S32.1Very low38.7Very low118 Ų118158.8 Ų158.883%0.82581%0.813SS**  trans-107.1148172.458.80000112.4
998W33.2Very low38.4Very low216 Ų216155.4 Ų155.482%0.81880%0.8SS**  trans-96.6176.3-163-74.647.3000114.1
999R35.4Very low38.4Very low187 Ų187153 Ų15371%0.70680%0.802SS**  trans91.4112.2158.5-49.5-154.6-169.8-62.8-0.7113.3
1000R36.8Very low38.6Very low224 Ų224149 Ų14985%0.84579%0.793SS**  97.9105.461.1-92.6-171.2175.3174-2.4109.6
1001T33.8Very low38.9Very low144 Ų144147.6 Ų147.688%0.88379%0.792SS**PPolyproline II helixtrans-97.4127172.5-39.10000109.9
1002P46Very low38.6Very low117 Ų117149 Ų14976%0.7680%0.8SS**PPolyproline II helixtrans-89.6154.5164.934.2-30.6000111.7
1003E31.5Very low38.5Very low150 Ų150150.4 Ų150.470%0.70181%0.805SS**PPolyproline II helixtrans-103.3137.7-176.7-167.5-101-173.100110.8R1005E1003-R1005 PolarHBondContact O-N 3.2Å
1004P39.9Very low38Very low115 Ų115156 Ų15675%0.74781%0.811SS**  trans-85.8110.3-173.831.6-33.5000113
1005R36.2Very low38.5Very low232 Ų232153.9 Ų153.988%0.87581%0.808SS**  trans-83.2164.6171.2-80-172165.4-159.5-4.8113.5E1003E1003-R1005 PolarHBondContact O-N 3.2Å
1006K38Very low38.5Very low179 Ų179155.4 Ų155.478%0.77881%0.811SS**  trans-110.1122.7-159.9-49.1165.9-170.8170.30113.1
1007T38.5Very low38.2Very low152 Ų152154.1 Ų154.193%0.93381%0.811SS**  trans-164.8147159.56.70000106.5
1008G34.1Very low38.5Very low63 Ų63154.2 Ų154.265%0.64981%0.806SS**  cis148.6112.23.600000108.1P1010G1008-P1010 WeakPolarHBondContact O-CD 3.28Å
1009T41.8Very low38.8Very low144 Ų144149 Ų14988%0.88380%0.798SS**PPolyproline II helixtrans-94.4127.5-160.6-44.40000114.3
1010P43.5Very low39.3Very low107 Ų107150.9 Ų150.970%0.69581%0.805SS**PPolyproline II helixtrans-98.9168.81624.717.6000112.6G1008G1008-P1010 WeakPolarHBondContact O-CD 3.28Å
1011P44.3Very low39.9Very low132 Ų132146.9 Ų146.986%0.85780%0.8SS**PPolyproline II helixtrans-93.5172.7-157.936.7-38.2000117.5
1012C38.2Very low40.7Very low124 Ų124146.9 Ų146.984%0.83880%0.8SS**PPolyproline II helixtrans-67152.2-174.4-46.80000116.4
1013Q34.8Very low40.9Very low198 Ų198145.7 Ų145.793%0.92580%0.801SS**  trans-144.8169.3144.1-74.9-150.69.200111.5
1014R38.7Very low41.5Very low235 Ų235150.4 Ų150.489%0.88783%0.828SS**  trans-84.9162.1179-55-178.6-179.6108.4-5.3111.3
1015P46.8Very low41.6Very low122 Ų122152.2 Ų152.279%0.79283%0.832SS**  -120.3155.681.71.620.6000111.9
1016Q36Very low41.9Very low188 Ų188148 Ų14888%0.87983%0.83SS**  74.5129.454.5-158.8173.55.500113.3
1017A42.7Very low42.1Very low90 Ų90146.3 Ų146.374%0.74483%0.833SS**  trans-90.8154.4-16700000113.7
1018V39.5Very low42.3Very low119 Ų119145.9 Ų145.972%0.72183%0.827SS**  trans-133.2126.8159.9-178.10000107.5
1019V37.9Very low42.8Very low108 Ų108151.1 Ų151.166%0.65584%0.838SS**  trans-87.6143172.4174.40000108.6
1020W45.7Very low42.9Very low225 Ų225151.6 Ų151.685%0.85284%0.835SS**  trans-130.5106.9161-72.897.5000108.3
1021D49.8Very low42.9Very low140 Ų140154.8 Ų154.875%0.74985%0.845SS**  trans-70.5142.9170.6-70.3-61.3000110.4
1022T51.5Low42.8Very low144 Ų144156.5 Ų156.588%0.88384%0.844SS**  trans-123.7102.6159.349.60000108.2
1023A50.1Low43.1Very low93 Ų93159.3 Ų159.377%0.76984%0.844SS**  trans-132103.3174.900000110
1024I44.3Very low43.9Very low249 Ų249155.7 Ų155.7100%1.27784%0.837SS**  trans-138.20136.1-57.5-172.7000105.4

Retrieved 1,024 of 1,024 residues in 640.4 ms (Link to these results)