A0A077Z2V9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z2V9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 888 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
1M56.6Low66Low214 Ų214143.8 Ų143.8100%1.05469%0.694SS**  0-34.10-82.1-56.5-171.700113.3
2A53Low67.8Low85 Ų85137.8 Ų137.870%0.70268%0.678SS**  trans-76-31.3-17600000114.4L4A2-L4 VanDerWaalsContact C-N 3.3Å; A2-L4 PolarHBondContact O-N 3.38Å
3D60.8Low69.3Low125 Ų125137 Ų13767%0.66868%0.677SS**G310 helixtrans-75.1-13.4-160.6-48.6-81.6000115.1R5 N6D3-R5 PolarHBondContact O-N 3.45Å; D3-N6 PolarHBondContact O-N 3.23Å
4L64.6Low70.8Confident114 Ų114133.6 Ų133.660%0.59767%0.667SS**G310 helixtrans-67.2-0.1-175.9-66.8172000114.8A2 F7A2-L4 VanDerWaalsContact C-N 3.3Å; A2-L4 PolarHBondContact O-N 3.38Å; L4-F7 HydrophobicContact CB-CE2 4.42Å; L4-F7 HydrophobicContact CD2-CE2 3.87Å; L4-F7 HydrophobicContact CD2-CZ 4.28Å; L4-F7 WeakPolarHBondContact O-CD2 3.41Å
5R63Low72Confident236 Ų236129.6 Ų129.689%0.89165%0.646SS**G310 helixtrans-95-10.9-178.6-68.8-170.8176.7-169.20.1115.1D3D3-R5 PolarHBondContact O-N 3.45Å
6N63.9Low73Confident149 Ų149127.9 Ų127.980%0.79763%0.63SS**  trans-94.711.7-172.9-71.7-13.3000115D3 S8D3-N6 PolarHBondContact O-N 3.23Å; N6-S8 PolarHBondContact O-N 3.13Å; N6-S8 VanDerWaalsContact O-N 3.08Å
7F64.6Low74.3Confident103 Ų103127.9 Ų127.945%0.45263%0.625SS.*  trans-68107175.7-64.4-67.1000111.7L4 R9L4-F7 HydrophobicContact CB-CE2 4.42Å; L4-F7 HydrophobicContact CD2-CE2 3.87Å; L4-F7 HydrophobicContact CD2-CZ 4.28Å; L4-F7 WeakPolarHBondContact O-CD2 3.41Å; F7-R9 PolarHBondContact O-N 3.39Å
8S66.3Low75.3Confident72 Ų72129.2 Ų129.250%0.50362%0.622SS.*  trans-56.9130176.8179.80000111.5N6 K10 E11N6-S8 PolarHBondContact O-N 3.13Å; N6-S8 VanDerWaalsContact O-N 3.08Å; S8-K10 PolarHBondContact O-N 3.22Å; S8-E11 PolarHBondContact O-N 2.85Å; S8-E11 VanDerWaalsContact O-N 3.07Å
9R69.7Low76Confident252 Ų252130 Ų13095%0.95162%0.618SS**THydrogen-bonded Turntrans-59.4-12.1178.6-68.4-171.2-179.3-167.91.2114.3F7F7-R9 PolarHBondContact O-N 3.39Å
10K80.6Confident76.8Confident199 Ų199127.6 Ų127.687%0.86561%0.606SS**THydrogen-bonded Turntrans-80-12177.3-61.8-172.7177.6-174.90113.9S8S8-K10 PolarHBondContact O-N 3.22Å
11E82.7Confident77.4Confident33 Ų33130.7 Ų130.715%0.15461%0.612CS.*SBendtrans-82.4123.6-175.4-170.8165.7-150.500112.7S8 E15 R16 R19S8-E11 PolarHBondContact O-N 2.85Å; S8-E11 VanDerWaalsContact O-N 3.07Å; E11-E15 HydrophobicContact CG-CB 4.09Å; E11-R16 PolarHBondContact O-NH2 2.91Å; E11-R19 VanDerWaalsContact OE1-CD 3.26Å; E11-R19 WeakPolarHBondContact OE1-CD 3.39Å; E11-R19 IonicContact OE1-CZ 2.74Å; E11-R19 IonicContact OE1-NE 3.85Å; E11-R19 PolarHBondContact OE1-NE 3.34Å; E11-R19 IonicContact OE1-NH1 3.69Å; E11-R19 PolarHBondContact OE1-NH1 3.16Å; E11-R19 IonicContact OE2-NH1 2.81Å; E11-R19 PolarHBondContact OE2-NH1 3.3Å
12S87.6Confident79.1Confident71 Ų71123.5 Ų123.550%0.49759%0.586SS.*  trans-54.2146.7179.4176.20000112.7V14 E15 R16S12-V14 PolarHBondContact O-N 3.49Å; S12-V14 PolarHBondContact OG-N 3.25Å; S12-E15 PolarHBondContact O-N 2.96Å; S12-E15 VanDerWaalsContact O-N 3.14Å; S12-R16 PolarHBondContact O-N 2.99Å
13L88.1Confident81Confident128 Ų128124.5 Ų124.567%0.6758%0.577SS**Hα-helixtrans-56-36.1175.4-16579.6000111.9K17L13-K17 WeakPolarHBondContact O-CB 3.4Å; L13-K17 PolarHBondContact O-N 3.36Å
14V89.3Confident82.3Confident89 Ų89122.5 Ų122.554%0.53956%0.563SS.*Hα-helixtrans-67.2-43.8178.51800000111.1S12 K17 R18S12-V14 PolarHBondContact O-N 3.49Å; S12-V14 PolarHBondContact OG-N 3.25Å; V14-K17 WeakPolarHBondContact O-CB 3.5Å; V14-K17 PolarHBondContact O-N 3.28Å; V14-R18 PolarHBondContact O-N 2.83Å
15E89.2Confident83.6Confident74 Ų74123.7 Ų123.735%0.34656%0.564SS.*Hα-helixtrans-74.1-36.4-177.6-151.957.1-138.500111.4E11 S12 K17 R18 R19E11-E15 HydrophobicContact CG-CB 4.09Å; S12-E15 PolarHBondContact O-N 2.96Å; S12-E15 VanDerWaalsContact O-N 3.14Å; E15-K17 VanDerWaalsContact C-N 3.3Å; E15-K17 PolarHBondContact O-N 3.15Å; E15-R18 WeakPolarHBondContact O-CB 3.2Å; E15-R18 PolarHBondContact O-N 3.33Å; E15-R18 WeakPolarHBondContact OE1-CD 3.35Å; E15-R18 IonicContact OE1-NH1 2.97Å; E15-R18 VanDerWaalsContact OE2-CD 3.27Å; E15-R18 WeakPolarHBondContact OE2-CD 3.45Å; E15-R18 IonicContact OE2-CZ 2.83Å; E15-R18 IonicContact OE2-NE 3.26Å; E15-R18 IonicContact OE2-NH1 2.92Å; E15-R18 PolarHBondContact OE2-NH1 3.3Å; E15-R19 PolarHBondContact O-N 3.36Å
16R88.7Confident84.7Confident103 Ų103115.3 Ų115.339%0.38955%0.545SS..Hα-helixtrans-59-41.2168-165.2-177.7-52.1157.712.9111.8E11 S12 Q20E11-R16 PolarHBondContact O-NH2 2.91Å; S12-R16 PolarHBondContact O-N 2.99Å; R16-Q20 WeakPolarHBondContact O-CB 3.41Å; R16-Q20 PolarHBondContact O-N 3.41Å
17K93.9Very high85.6Confident127 Ų127113.4 Ų113.455%0.55253%0.531SS*.Hα-helixtrans-65.8-40.4174.4-91.4-71.4-177.4-169.80112.7L13 V14 E15 W21L13-K17 WeakPolarHBondContact O-CB 3.4Å; L13-K17 PolarHBondContact O-N 3.36Å; V14-K17 WeakPolarHBondContact O-CB 3.5Å; V14-K17 PolarHBondContact O-N 3.28Å; E15-K17 VanDerWaalsContact C-N 3.3Å; E15-K17 PolarHBondContact O-N 3.15Å; K17-W21 WeakPolarHBondContact O-CB 3.29Å; K17-W21 PolarHBondContact O-N 3.3Å
18R92.3Very high86.4Confident151 Ų151114.6 Ų114.657%0.5754%0.542SS*.Hα-helixtrans-61.4-48173.2-77.3170.3168.5174.1-5.9111.8V14 E15 W21 A22V14-R18 PolarHBondContact O-N 2.83Å; E15-R18 WeakPolarHBondContact O-CB 3.2Å; E15-R18 PolarHBondContact O-N 3.33Å; E15-R18 WeakPolarHBondContact OE1-CD 3.35Å; E15-R18 IonicContact OE1-NH1 2.97Å; E15-R18 VanDerWaalsContact OE2-CD 3.27Å; E15-R18 WeakPolarHBondContact OE2-CD 3.45Å; E15-R18 IonicContact OE2-CZ 2.83Å; E15-R18 IonicContact OE2-NE 3.26Å; E15-R18 IonicContact OE2-NH1 2.92Å; E15-R18 PolarHBondContact OE2-NH1 3.3Å; R18-W21 PolarHBondContact O-N 3.11Å; R18-A22 WeakPolarHBondContact O-CB 3.23Å; R18-A22 PolarHBondContact O-N 2.65Å
19R89.1Confident86.8Confident145 Ų145118.5 Ų118.555%0.54755%0.552SS.*Hα-helixtrans-61.1-45.6176.4-77.6-177.8166.8176.3-9.6112.4E11 E15 W21 A22 Q23E11-R19 VanDerWaalsContact OE1-CD 3.26Å; E11-R19 WeakPolarHBondContact OE1-CD 3.39Å; E11-R19 IonicContact OE1-CZ 2.74Å; E11-R19 IonicContact OE1-NE 3.85Å; E11-R19 PolarHBondContact OE1-NE 3.34Å; E11-R19 IonicContact OE1-NH1 3.69Å; E11-R19 PolarHBondContact OE1-NH1 3.16Å; E11-R19 IonicContact OE2-NH1 2.81Å; E11-R19 PolarHBondContact OE2-NH1 3.3Å; E15-R19 PolarHBondContact O-N 3.36Å; R19-W21 PolarHBondContact O-N 3.05Å; R19-A22 PolarHBondContact O-N 2.8Å; R19-Q23 WeakPolarHBondContact O-CB 3.41Å; R19-Q23 PolarHBondContact O-N 2.89Å
20Q91.8Very high87.1Confident81 Ų81114.1 Ų114.138%0.37954%0.542SS..Hα-helixtrans-55.8-50173.6179.2-178.41.600111R16 A22 Q23 E24R16-Q20 WeakPolarHBondContact O-CB 3.41Å; R16-Q20 PolarHBondContact O-N 3.41Å; Q20-A22 PolarHBondContact O-N 3.3Å; Q20-Q23 PolarHBondContact O-N 3.33Å; Q20-E24 HydrophobicContact CG-CG 4.41Å; Q20-E24 VanDerWaalsContact CG-OE1 3.3Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.5Å; Q20-E24 PolarHBondContact NE2-OE1 2.8Å; Q20-E24 WeakPolarHBondContact O-CG 3.35Å; Q20-E24 PolarHBondContact O-N 3.41Å
21W90.8Very high86.6Confident194 Ų194113.8 Ų113.874%0.73554%0.536SS*.Hα-helixtrans-68.9-33.5-177-166.422.1000112.9K17 R18 R19 K25K17-W21 WeakPolarHBondContact O-CB 3.29Å; K17-W21 PolarHBondContact O-N 3.3Å; R18-W21 PolarHBondContact O-N 3.11Å; R19-W21 PolarHBondContact O-N 3.05Å; W21-K25 VanDerWaalsContact O-CB 3.29Å; W21-K25 WeakPolarHBondContact O-CB 3.01Å; W21-K25 PolarHBondContact O-N 3.3Å
22A91.5Very high85.6Confident62 Ų62119.4 Ų119.451%0.51256%0.557SS.*Hα-helixtrans-65.6-40.4172.100000112.1R18 R19 Q20 K25 A26R18-A22 WeakPolarHBondContact O-CB 3.23Å; R18-A22 PolarHBondContact O-N 2.65Å; R19-A22 PolarHBondContact O-N 2.8Å; Q20-A22 PolarHBondContact O-N 3.3Å; A22-K25 PolarHBondContact O-N 3.17Å; A22-A26 PolarHBondContact O-N 2.99Å
23Q92Very high84.7Confident106 Ų106120.2 Ų120.250%0.49556%0.56SS.*Hα-helixtrans-66.9-47.9174.6-176.4178.4-17.300111.5R19 Q20 K25 A26 E27R19-Q23 WeakPolarHBondContact O-CB 3.41Å; R19-Q23 PolarHBondContact O-N 2.89Å; Q20-Q23 PolarHBondContact O-N 3.33Å; Q23-K25 PolarHBondContact O-N 3.42Å; Q23-A26 PolarHBondContact O-N 3.38Å; Q23-A26 VanDerWaalsContact O-N 3.07Å; Q23-E27 HydrophobicContact CG-CG 4.5Å; Q23-E27 WeakPolarHBondContact CG-OE1 3.3Å; Q23-E27 PolarHBondContact NE2-OE1 3.11Å; Q23-E27 WeakPolarHBondContact O-CG 3.46Å; Q23-E27 PolarHBondContact O-N 2.76Å
24E89.3Confident83.8Confident84 Ų84122.1 Ų122.139%0.39356%0.563SS.*Hα-helixtrans-58.2-36.7175.5-73.1170.3-178.600111.8Q20 L28Q20-E24 HydrophobicContact CG-CG 4.41Å; Q20-E24 VanDerWaalsContact CG-OE1 3.3Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.5Å; Q20-E24 PolarHBondContact NE2-OE1 2.8Å; Q20-E24 WeakPolarHBondContact O-CG 3.35Å; Q20-E24 PolarHBondContact O-N 3.41Å; E24-L28 WeakPolarHBondContact O-CB 3.14Å; E24-L28 WeakPolarHBondContact O-CG 3.47Å; E24-L28 PolarHBondContact O-N 3.23Å
25K90.3Very high82.8Confident139 Ų139119.5 Ų119.560%0.60455%0.554SS**Hα-helixtrans-69-38.7174.3-170.8-179.4179.4-174.60112.6W21 A22 Q23 Q29W21-K25 VanDerWaalsContact O-CB 3.29Å; W21-K25 WeakPolarHBondContact O-CB 3.01Å; W21-K25 PolarHBondContact O-N 3.3Å; A22-K25 PolarHBondContact O-N 3.17Å; Q23-K25 PolarHBondContact O-N 3.42Å; K25-Q29 WeakPolarHBondContact O-CB 3.36Å; K25-Q29 PolarHBondContact O-N 2.99Å
26A86.7Confident81.7Confident59 Ų59123.6 Ų123.649%0.48857%0.57SS.*Hα-helixtrans-66.8-45.4175.500000111.4A22 Q23 L28 Q29 E30A22-A26 PolarHBondContact O-N 2.99Å; Q23-A26 PolarHBondContact O-N 3.38Å; Q23-A26 VanDerWaalsContact O-N 3.07Å; A26-L28 VanDerWaalsContact C-N 3.33Å; A26-L28 PolarHBondContact O-N 3.18Å; A26-Q29 PolarHBondContact O-N 3.45Å; A26-E30 PolarHBondContact O-N 2.89Å
27E83.4Confident80Confident109 Ų109124.5 Ų124.551%0.50959%0.59SS.*Hα-helixtrans-60.4-41.1175-71.1177.3-161.700111.3Q23 Q29 E30 W31Q23-E27 HydrophobicContact CG-CG 4.5Å; Q23-E27 WeakPolarHBondContact CG-OE1 3.3Å; Q23-E27 PolarHBondContact NE2-OE1 3.11Å; Q23-E27 WeakPolarHBondContact O-CG 3.46Å; Q23-E27 PolarHBondContact O-N 2.76Å; E27-Q29 VanDerWaalsContact C-N 3.3Å; E27-Q29 PolarHBondContact O-N 3.13Å; E27-E30 PolarHBondContact O-N 3.32Å; E27-W31 WeakPolarHBondContact O-CB 3.41Å; E27-W31 PolarHBondContact O-N 3.47Å
28L81Confident78.7Confident129 Ų129122.7 Ų122.768%0.67561%0.607SS**Hα-helixtrans-64.8-28.8172.7-83165.8000114.1E24 A26E24-L28 WeakPolarHBondContact O-CB 3.14Å; E24-L28 WeakPolarHBondContact O-CG 3.47Å; E24-L28 PolarHBondContact O-N 3.23Å; A26-L28 VanDerWaalsContact C-N 3.33Å; A26-L28 PolarHBondContact O-N 3.18Å
29Q75Confident77Confident153 Ų153118.2 Ų118.272%0.71560%0.602SS**Hα-helixtrans-84.9-26.3179.6-170.1165.3-9.300112.6K25 A26 E27K25-Q29 WeakPolarHBondContact O-CB 3.36Å; K25-Q29 PolarHBondContact O-N 2.99Å; A26-Q29 PolarHBondContact O-N 3.45Å; E27-Q29 VanDerWaalsContact C-N 3.3Å; E27-Q29 PolarHBondContact O-N 3.13Å
30E75.8Confident74.9Confident161 Ų161114.6 Ų114.675%0.75261%0.61SS**Hα-helixtrans-81.4-30.1169.1-173.6164.7-146.100112.4A26 E27 Y32A26-E30 PolarHBondContact O-N 2.89Å; E27-E30 PolarHBondContact O-N 3.32Å; E30-Y32 PolarHBondContact O-N 2.89Å
31W69.4Low73.2Confident192 Ų192114.4 Ų114.473%0.72762%0.623SS**  trans-77.963.7-179.8-163.374.5000113.4E27 P33E27-W31 WeakPolarHBondContact O-CB 3.41Å; E27-W31 PolarHBondContact O-N 3.47Å; W31-P33 WeakPolarHBondContact O-CD 3.47Å
32Y63.5Low71.3Confident151 Ų151110.9 Ų110.959%0.59263%0.625SS**  trans-77.4113.1169.5-134.1-100.1000109.6E30 F34 G35E30-Y32 PolarHBondContact O-N 2.89Å; Y32-F34 PolarHBondContact O-N 3.35Å; Y32-F34 VanDerWaalsContact O-N 3.07Å; Y32-G35 WeakPolarHBondContact CB-O 3.44Å; Y32-G35 VanDerWaalsContact CD1-O 3.32Å; Y32-G35 WeakPolarHBondContact CD1-O 3.5Å; Y32-G35 PolarHBondContact O-N 2.91Å
33P67.9Low69.1Low88 Ų88116.2 Ų116.257%0.57164%0.644SS**THydrogen-bonded Turntrans-69.4-10.8-17127.5-35.4000114.2W31W31-P33 WeakPolarHBondContact O-CD 3.47Å
34F68.5Low67.1Low168 Ų168120.1 Ų120.174%0.73766%0.659SS**THydrogen-bonded Turntrans-102.29.4175.7-59.7-73.5000113.2Y32Y32-F34 PolarHBondContact O-N 3.35Å; Y32-F34 VanDerWaalsContact O-N 3.07Å
35G68.7Low64.8Low33 Ų33121.6 Ų121.634%0.3468%0.679SS.*  trans79.7178.3-170.700000112.6Y32Y32-G35 WeakPolarHBondContact CB-O 3.44Å; Y32-G35 VanDerWaalsContact CD1-O 3.32Å; Y32-G35 WeakPolarHBondContact CD1-O 3.5Å; Y32-G35 PolarHBondContact O-N 2.91Å
36K66Low62.6Low160 Ų160120.8 Ų120.870%0.69669%0.688SS**SBendtrans-61.5139.3171.7-64.3-176.2178.8-176.10108.7G38 A39K36-G38 PolarHBondContact O-N 2.83Å; K36-G38 VanDerWaalsContact O-N 3.14Å; K36-A39 HydrophobicContact CB-CB 4.17Å; K36-A39 WeakPolarHBondContact O-CB 3.42Å; K36-A39 PolarHBondContact O-N 3.4Å
37P53.9Low60.5Low123 Ų123125.4 Ų125.480%0.79970%0.703SS**THydrogen-bonded Turntrans-55.9123.5171.323.4-32.5000109.5
38G66.5Low58.5Low88 Ų88127.8 Ų127.891%0.90772%0.719SS**THydrogen-bonded Turntrans99.9-20.5-170.800000115.5K36 G40K36-G38 PolarHBondContact O-N 2.83Å; K36-G38 VanDerWaalsContact O-N 3.14Å; G38-G40 PolarHBondContact O-N 3.15Å
39A55Low56.4Low57 Ų57126.5 Ų126.547%0.47173%0.727SS.*SBendtrans-88.690.2170.800000109.7K36K36-A39 HydrophobicContact CB-CB 4.17Å; K36-A39 WeakPolarHBondContact O-CB 3.42Å; K36-A39 PolarHBondContact O-N 3.4Å
40G46Very low54.7Low70 Ų70123.9 Ų123.972%0.72273%0.731SS**  trans-51.8142.8-173.600000114.5G38G38-G40 PolarHBondContact O-N 3.15Å
41A54.9Low53.1Low77 Ų77121.1 Ų121.164%0.63674%0.736SS**  trans-56.6139.7-176.400000112.1L43A41-L43 PolarHBondContact O-N 2.62Å
42P51.6Low51.9Low120 Ų120118.4 Ų118.478%0.77974%0.736SS**  trans-70.998.4-171.927.8-35.2000111.9K44P42-K44 PolarHBondContact O-N 3.45Å; P42-K44 VanDerWaalsContact O-N 3.14Å
43L45.5Very low50.9Low173 Ų173119.3 Ų119.391%0.90675%0.745SS**  trans-57.4114.3171.4-70.6171.5000110.4A41A41-L43 PolarHBondContact O-N 2.62Å
44K50Low49.5Very low188 Ų188120 Ų12082%0.81775%0.75SS**  trans-140.187.9171.7-72.4-163.8175.1-169.10111P42 P46P42-K44 PolarHBondContact O-N 3.45Å; P42-K44 VanDerWaalsContact O-N 3.14Å; K44-P46 WeakPolarHBondContact O-CD 3.31Å
45S41.6Very low48.2Very low115 Ų115118.3 Ų118.380%0.80475%0.753SS**  trans-93.1112.5158.6390000109.3
46P44.7Very low47Very low123 Ų123125.7 Ų125.780%0.79978%0.776SS**  trans-76134.1162.7-10.528.3000109.4K44K44-P46 WeakPolarHBondContact O-CD 3.31Å
47L42.5Very low45.8Very low156 Ų156123.8 Ų123.882%0.81778%0.783SS**  trans-75.6146.2167.7-137.576.1000109.8
48L41.2Very low44.9Very low159 Ų159124 Ų12483%0.83279%0.786SS**  trans32.6112.1152.3-80.1159.5000119.9
49A35.7Very low43.6Very low102 Ų102125.3 Ų125.384%0.84378%0.779SS**  178.9126.7126.600000112.4
50A40.6Very low43Very low98 Ų98130.8 Ų130.881%0.8179%0.794SS**  trans17291148.500000111.4
51A41.8Very low42.7Very low103 Ų103133.2 Ų133.285%0.85179%0.791SS**  trans-159.468168.100000111.5
52D43.1Very low42Very low135 Ų135137.2 Ų137.272%0.72280%0.801SS**  trans-40.3154.7157.5-77.8-75.3000114.1
53Q43Very low41.3Very low170 Ų170135.5 Ų135.579%0.79480%0.796SS**  cis-155.6176.27.8-97.6-101-29.300110.8
54P39.7Very low41.2Very low102 Ų102137.4 Ų137.466%0.66279%0.793SS**  trans-113.4165-156.241.6-35.2000117.9
55T41.2Very low40.8Very low132 Ų132135 Ų13581%0.8179%0.789SS**  trans-145142.7147.523.70000108.1
56K42.6Very low40.6Very low188 Ų188134.9 Ų134.982%0.81779%0.787SS**  124.67780.4-20.2176.2-169.7178.60115.5
57S39.8Very low40.3Very low121 Ų121138.6 Ų138.685%0.84679%0.794SS**  trans66.9152.815639.30000122
58C35.9Very low40.2Very low126 Ų126136 Ų13685%0.85180%0.795SS**  trans-70.3169.2-171.8-74.70000117.3
59P39.1Very low40.1Very low117 Ų117133.2 Ų133.276%0.7680%0.795SS**  trans-92.8158.2176.337.8-35.3000113.6
60Q41.5Very low40.1Very low171 Ų171133.4 Ų133.480%0.79980%0.797SS**  trans-162.1152.5150.6-116.4177.7-63.200113.2
61D40Very low40.1Very low122 Ų122133.5 Ų133.565%0.65280%0.798SS**  trans72.8132.6143.5-64.3-14000125.4
62L41.2Very low40.1Very low160 Ų160133.2 Ų133.284%0.83880%0.795SS**  trans71.3140.4150.6-90.875.2000122
63A37.1Very low40.1Very low84 Ų84131.6 Ų131.669%0.69480%0.8SS**  trans-103.5153.4173.100000111.1
64Y42.1Very low40Very low213 Ų213130.4 Ų130.484%0.83580%0.8SS**  trans-169.4113.3146.5-98.3-81.3000105
65N42Very low40.3Very low138 Ų138131.5 Ų131.574%0.73880%0.804SS**  85.5159.569.4-161.617.4000113.8
66C38.1Very low40.4Very low113 Ų113128 Ų12876%0.76479%0.794SS**  trans82.5140.5169.1-60.10000119.3
67Q38.5Very low40.4Very low200 Ų200130.3 Ų130.394%0.93580%0.798SS**  trans-103145.9177.6-56.4155.7-74.900110.6
68A39Very low40.6Very low102 Ų102130.4 Ų130.484%0.84379%0.794SS**  trans-172.5154.1158.200000108.5
69A38.9Very low40.9Very low101 Ų101131.9 Ų131.984%0.83579%0.792SS**  cis-158.3169.6-25.400000107.2
70A36.6Very low41.4Very low106 Ų106131.2 Ų131.288%0.87679%0.788SS**  trans-96.3149.7-176.400000113.8
71A41.2Very low41.5Very low100 Ų100130.8 Ų130.883%0.82679%0.79SS**  trans-164.6148.316000000112.6
72A41.4Very low41.6Very low97 Ų97136 Ų13680%0.80280%0.801SS**  trans52.3118.9166.400000118.9
73A42.9Very low41.6Very low100 Ų100135.8 Ų135.883%0.82680%0.8SS**  cis74.7149.347.400000114
74D41Very low42Very low146 Ų146135 Ų13578%0.78180%0.8SS**  cis-175.9172.2-22.7-18025.3000106.1
75V46.3Very low42.2Very low124 Ų124131 Ų13175%0.75280%0.798SS**  trans70.6135.1171.2-165.10000115.8
76G42Very low42.4Very low59 Ų59132.3 Ų132.361%0.60881%0.805SS**  cis145.4148.6-11.300000114.2
77R44.3Very low42.5Very low237 Ų237130.2 Ų130.289%0.89480%0.802SS**  trans70.9153.8166.4-53-177.7-177.3-165.40.7116
78T42.7Very low42.9Very low123 Ų123130.9 Ų130.976%0.75580%0.802SS**  cis-159.6154.7-14.916.80000111.6
79L42.7Very low43.1Very low156 Ų156133.5 Ų133.582%0.81780%0.802SS**  trans-11.2171.8143.6-64.7171.3000119.8
80P50.6Low43.3Very low104 Ų104132 Ų13268%0.67580%0.796SS**  cis-148-178.62032.3-6.6000119.9
81L43.2Very low43.9Very low162 Ų162134.5 Ų134.585%0.84879%0.793SS**  trans65.3135.7148.3-75.1157.8000120.4
82R40.7Very low44.2Very low232 Ų232137.6 Ų137.688%0.87580%0.796SS**  -162.5147.664.7179175.3-177.8172.61.6113.3
83N41.6Very low44.2Very low155 Ų155136.5 Ų136.583%0.82979%0.794SS**  trans-104.8163.3172.4-73.3-5.1000112.7
84G45.8Very low44.6Very low67 Ų67138 Ų13869%0.69180%0.795SS**  trans147100.7174.600000109.4
85V45.4Very low44.9Very low130 Ų130136.9 Ų136.979%0.78880%0.799SS**  67.489.158.2-173.20000111.8
86D46.9Very low45Very low165 Ų165135.5 Ų135.588%0.88280%0.795SS**  -173.1164.8107.8-96.4-39.4000110.3
87G40.9Very low45.2Very low68 Ų68139.2 Ų139.270%0.70181%0.806SS**  trans-116.6158.5-176.400000113.8
88F46.3Very low45.2Very low214 Ų214133.4 Ų133.494%0.93980%0.796SS**  trans-152149.3164.5-135.3-90.5000111
89D43.8Very low45.5Very low158 Ų158135.6 Ų135.685%0.84580%0.8SS**  trans-81.5148.3-169.8-71.4-71.1000115.5
90G42.1Very low45.9Very low69 Ų69133.5 Ų133.571%0.71180%0.796SS**  117.8158128.300000120
91I49.2Very low45.4Very low159 Ų159137 Ų13782%0.81580%0.803SS**  trans74.282.9159-43-179.9000117.7
92N47.5Very low45.4Very low165 Ų165140.9 Ų140.988%0.88281%0.806SS**  29.2122.8127.6-60.6-28.1000120.7
93G41.4Very low45.5Very low74 Ų74137.8 Ų137.876%0.76380%0.804SS**  trans173.198.3156.500000116
94P52.9Low45.3Very low130 Ų130138.4 Ų138.484%0.84481%0.807SS**  trans-84.6124.8175.132.1-32000112.3S96P94-S96 PolarHBondContact O-N 2.98Å; P94-S96 VanDerWaalsContact O-N 3.13Å
95S47Very low45Very low123 Ų123139.9 Ų139.986%0.8681%0.813SS**  trans-78.593.7175.9-173.20000111.6
96S47Very low45Very low95 Ų95140.4 Ų140.466%0.66482%0.816SS**  trans-91.9121.1174.5-175.40000111.4P94 V98P94-S96 PolarHBondContact O-N 2.98Å; P94-S96 VanDerWaalsContact O-N 3.13Å; S96-V98 PolarHBondContact O-N 3.09Å
97V47.3Very low44.7Very low138 Ų138138 Ų13884%0.83681%0.81SS**  trans-87.496173.9-179.80000109.3
98V44.3Very low44.3Very low115 Ų115145.1 Ų145.170%0.69782%0.817SS**  trans-87.6114.6-178.2179.30000111.2S96S96-V98 PolarHBondContact O-N 3.09Å
99M47.8Very low44Very low168 Ų168140.4 Ų140.483%0.82881%0.806SS**  trans-77.4136.8159.8-82.9-75-17300109.7Q101M99-Q101 PolarHBondContact O-N 3.15Å; M99-Q101 VanDerWaalsContact O-N 3.07Å
100P51Low43.6Very low113 Ų113137.4 Ų137.473%0.73480%0.797SS**  trans-75.9101.7-169.628.9-35.1000112.8R102P100-R102 PolarHBondContact O-N 2.95Å
101Q41.7Very low43.4Very low177 Ų177143.5 Ų143.583%0.82780%0.8SS**  trans-68.3113.1168.3-169.5175.222.400109.7M99 M103M99-Q101 PolarHBondContact O-N 3.15Å; M99-Q101 VanDerWaalsContact O-N 3.07Å; Q101-M103 PolarHBondContact O-N 3.38Å
102R43.3Very low42.9Very low243 Ų243143.2 Ų143.292%0.91780%0.8SS**  trans-75.5115.2173.1-74.9-171.9174.2-168.5-1.6109.5P100P100-R102 PolarHBondContact O-N 2.95Å
103M41.2Very low42.8Very low168 Ų168141.1 Ų141.183%0.82879%0.793SS**  trans-67144.3171.2-79.4-75-175.300111.6Q101Q101-M103 PolarHBondContact O-N 3.38Å
104D38.4Very low42.6Very low167 Ų167141.1 Ų141.189%0.89379%0.793SS**  trans-67.3144.4164.1-71.5-65000111.1
105A40Very low42.2Very low98 Ų98144 Ų14481%0.8180%0.795SS**  trans-122.2123.7172.900000110.8
106T44.2Very low41.7Very low141 Ų141145.4 Ų145.487%0.86579%0.793SS**  trans-58.3169.9-177.633.10000115.4
107P41.1Very low41.3Very low115 Ų115146.1 Ų146.175%0.74780%0.798SS**  trans-102.4162.8-145.840-38.9000116.5
108Y31.8Very low40.7Very low218 Ų218150 Ų15086%0.85580%0.799SS**  trans54.593.9144.5-141.4-87.2000118.6
109V40.3Very low40.4Very low115 Ų115150.1 Ų150.170%0.69780%0.8SS**  trans-120.4122.6157.6179.70000109Y111V109-Y111 HydrophobicContact CG1-CD2 4.03Å; V109-Y111 HydrophobicContact CG1-CE2 3.69Å
110S35.5Very low40Very low94 Ų94149.1 Ų149.166%0.65779%0.791SS**  trans-94.3115.6176.9-174.60000110.1
111Y39.4Very low39.6Very low198 Ų198151 Ų15178%0.77679%0.794SS**  trans-89.4108.5174.3-88.2-84.8000110.7V109V109-Y111 HydrophobicContact CG1-CD2 4.03Å; V109-Y111 HydrophobicContact CG1-CE2 3.69Å
112N37.5Very low39.6Very low152 Ų152150.6 Ų150.681%0.81379%0.786SS**  trans-110.682.4178.8-164.69.8000110
113T46.4Very low40.1Very low122 Ų122144.6 Ų144.675%0.74878%0.779SS**  trans-138.4118.1175.849.10000108.1
114G36.5Very low40Very low73 Ų73145.4 Ų145.475%0.75378%0.778SS**  cis116.240.24.800000113.5
115E44.6Very low40.4Very low192 Ų192142.5 Ų142.590%0.89777%0.768SS**  trans-150.9164.4164.1-126166.7-137.700111.5
116N36.5Very low40.3Very low152 Ų152148.7 Ų148.781%0.81377%0.772SS**  trans-98.1129.3-156.7-66.3-67.9000114.9
117S38.9Very low40Very low110 Ų110146.4 Ų146.477%0.76976%0.762SS**  trans-157.6132.6140.662.50000111.3
118Y34.3Very low39.9Very low218 Ų218145.1 Ų145.186%0.85576%0.761SS**  trans-90.1116.1179.4-94.3-109.8000111.4
119V39.1Very low40.4Very low119 Ų119144.5 Ų144.572%0.72176%0.763SS**  trans-134.491.7155.9-170.30000109.1L121V119-L121 HydrophobicContact CG1-CD2 4.33Å; V119-L121 HydrophobicContact CG1-CG 4.15Å; V119-L121 PolarHBondContact O-N 3.37Å
120K39.2Very low40.3Very low147 Ų147149.9 Ų149.964%0.63977%0.773SS**  trans-83.375.7-176.1-165.5179.2-175.4-170.30111.1Y122K120-Y122 HydrophobicContact CD-CD2 4.42Å; K120-Y122 HydrophobicContact CD-CE2 3.66Å; K120-Y122 WeakPolarHBondContact CE-OH 3.35Å; K120-Y122 HydrophobicContact CG-CD2 4.2Å; K120-Y122 HydrophobicContact CG-CE2 3.93Å; K120-Y122 PolarHBondContact NZ-OH 2.98Å; K120-Y122 PolarHBondContact O-N 2.88Å
121L42.4Very low40.6Very low153 Ų153152.5 Ų152.580%0.80177%0.774SS**  trans-66.399.4173.7-69176.5000110.5V119V119-L121 HydrophobicContact CG1-CD2 4.33Å; V119-L121 HydrophobicContact CG1-CG 4.15Å; V119-L121 PolarHBondContact O-N 3.37Å
122Y40.2Very low41Very low168 Ų168152.9 Ų152.966%0.65978%0.783SS**PPolyproline II helixtrans-71.5133.7167.1-84-94.3000110K120K120-Y122 HydrophobicContact CD-CD2 4.42Å; K120-Y122 HydrophobicContact CD-CE2 3.66Å; K120-Y122 WeakPolarHBondContact CE-OH 3.35Å; K120-Y122 HydrophobicContact CG-CD2 4.2Å; K120-Y122 HydrophobicContact CG-CE2 3.93Å; K120-Y122 PolarHBondContact NZ-OH 2.98Å; K120-Y122 PolarHBondContact O-N 2.88Å
123P54.1Low42.1Very low116 Ų116150.1 Ų150.175%0.75377%0.772SS**PPolyproline II helixtrans-66135.2167.528.1-32.9000110
124F40.4Very low42Very low185 Ų185148.5 Ų148.581%0.81178%0.779SS**PPolyproline II helixtrans-60.3137-178.4-96.1-106.5000112.4Y126F124-Y126 PolarHBondContact O-N 3.43Å; F124-Y126 VanDerWaalsContact O-N 3.14Å
125P45.9Very low42.8Very low107 Ų107151.9 Ų151.970%0.69578%0.776SS**  trans-73.7102.1166.830.4-32.1000109.9S127P125-S127 VanDerWaalsContact C-N 3.3Å; P125-S127 PolarHBondContact O-N 3.4Å
126Y38.1Very low42.5Very low227 Ų227152.6 Ų152.689%0.8978%0.776SS**  trans-75.181.9172.4-108-85.4000110.9F124F124-Y126 PolarHBondContact O-N 3.43Å; F124-Y126 VanDerWaalsContact O-N 3.14Å
127S38.3Very low43Very low94 Ų94154.9 Ų154.966%0.65778%0.775SS**  trans-134.982.1170.961.90000110.9P125P125-S127 VanDerWaalsContact C-N 3.3Å; P125-S127 PolarHBondContact O-N 3.4Å
128A39.1Very low43.4Very low87 Ų87157.3 Ų157.372%0.71977%0.774SS**  trans-108.4104170.300000109.2
129F41Very low44.5Very low206 Ų206152.5 Ų152.590%0.90477%0.769SS**  trans-72.9124.5168.1-79.8-97000108.8
130Y38.2Very low44.8Very low228 Ų228153 Ų15389%0.89477%0.768SS**  trans-75.1125.6166.1-90-98.9000109.3
131H41.7Very low44.9Very low149 Ų149153.3 Ų153.369%0.6977%0.771SS**  trans-110.2144.6164.4-157.9-100.7000108T133H131-T133 PolarHBondContact ND1-OG1 3.21Å; H131-T133 PolarHBondContact O-N 3.3Å
132E49.4Very low44.5Very low205 Ų205153.8 Ų153.896%0.95877%0.769SS**SBendtrans-67.7-4.1-170.5-83.9178.7126.200115.1
133T60.2Low44.5Very low95 Ų95152.4 Ų152.458%0.58378%0.778SS**SBendtrans-98.199.8177.850.50000110.1H131 Q135H131-T133 PolarHBondContact ND1-OG1 3.21Å; H131-T133 PolarHBondContact O-N 3.3Å; T133-Q135 PolarHBondContact O-N 3.09Å
134G44.3Very low43.7Very low88 Ų88150.7 Ų150.791%0.90777%0.773SS**  trans-68.959.9-172.100000116.7
135Q53Low43.8Very low144 Ų144147.6 Ų147.667%0.67377%0.77SS**  trans-117.4113178.8-77-80.52.800109.8T133 Y137T133-Q135 PolarHBondContact O-N 3.09Å; Q135-Y137 HydrophobicContact CB-CD2 4.42Å
136F39.4Very low43.5Very low207 Ų207150.2 Ų150.291%0.90878%0.778SS**  trans-88.2105.4173.7-106.1-91.6000110
137Y46.6Very low43.5Very low199 Ų199142.8 Ų142.878%0.7877%0.771SS**  trans-105.4130.1167.9-88.5-92000110.9Q135Q135-Y137 HydrophobicContact CB-CD2 4.42Å
138H47.4Very low43.4Very low162 Ų162146.4 Ų146.475%0.7578%0.782SS**  trans-121.198.9-174.7-158.9-38000109
139P57.5Low43.6Very low116 Ų116150.4 Ų150.475%0.75379%0.788SS**  trans-80.5126.6-179.830.8-32.2000110.5
140N43.7Very low43.3Very low130 Ų130148.6 Ų148.670%0.69578%0.782SS**  trans-159.6128.7171.9-128.8-7.2000109.4
141H42.1Very low43.4Very low153 Ų153142 Ų14271%0.70878%0.775SS**  trans61.5153.2-179.3-70.1-97.7000116
142Q34.5Very low43Very low163 Ų163143 Ų14376%0.76278%0.78SS**  cis175.5105.8-28.2-116.4-176.3-14.300106
143V39.5Very low42.5Very low139 Ų139140.2 Ų140.284%0.84277%0.77SS**  trans-153.1113.3165-163.20000104
144A38.6Very low41.3Very low80 Ų80140.6 Ų140.666%0.66178%0.783SS**  53.5132.982.300000113
145T42.1Very low41.1Very low120 Ų120141.5 Ų141.574%0.73677%0.774SS**  cis-159.3174.73.6-2.10000110
146N39.9Very low40.9Very low162 Ų162140 Ų14087%0.86678%0.777SS**  trans73.8127.1171.6-46.8-25.4000116.1
147G36.2Very low42Very low72 Ų72135.8 Ų135.874%0.74277%0.77SS**  cis143.6104.8-16.700000114.3
148L37.9Very low43Very low169 Ų169131.9 Ų131.989%0.88577%0.769SS**  trans-155.6134.7155.9-145.877000113
149M43.3Very low43.3Very low171 Ų171129.5 Ų129.584%0.84277%0.768SS**  trans25.9110.8160.4-68.5-63.4119.300120.7
150Q33.8Very low43.7Very low169 Ų169129.6 Ų129.679%0.7977%0.769SS**  trans-91.6110.7164.6179.7-177.526.800110.3
151A39.8Very low44.4Very low90 Ų90129.5 Ų129.574%0.74478%0.775SS**  trans-100.2109.3172.800000110.8
152Q34.1Very low44.5Very low168 Ų168126.7 Ų126.779%0.78578%0.778SS**  trans-83.7114.5171.5-63.1-177.711.500109.5
153I38.3Very low44.9Very low147 Ų147129.8 Ų129.875%0.75478%0.783SS**  trans-121.6100.4169.6-59.4-179.2000108.1C155I153-C155 PolarHBondContact O-N 3.4Å
154A34.8Very low45.1Very low103 Ų103133.1 Ų133.185%0.85179%0.787SS**  trans-83.8101.9173.200000109.4
155C41.6Very low45.1Very low108 Ų108136.1 Ų136.173%0.7379%0.791SS**PPolyproline II helixtrans-71.6134.3172.6-64.60000110.5I153I153-C155 PolarHBondContact O-N 3.4Å
156P47.6Very low45.1Very low112 Ų112133.5 Ų133.573%0.72779%0.788SS**PPolyproline II helixtrans-71153.4176.730.5-35.3000111.4
157P63.8Low45.2Very low118 Ų118135.7 Ų135.777%0.76679%0.791SS**PPolyproline II helixtrans-66.7142.3170.829.3-34.1000110.8
158P67.1Low45.8Very low117 Ų117138.4 Ų138.476%0.7679%0.793SS**PPolyproline II helixtrans-69.4156.1176.729.8-35.3000111.9
159P52.8Low46.4Very low113 Ų113136.4 Ų136.473%0.73479%0.789SS**PPolyproline II helixtrans-67.6151.7178.229.4-35.7000111.9
160P65.8Low46.3Very low118 Ų118137.6 Ų137.677%0.76679%0.793SS**PPolyproline II helixtrans-66.8133.2174.428.2-33.8000110.6
161P59.4Low46.9Very low127 Ų127133 Ų13383%0.82579%0.791SS**PPolyproline II helixtrans-67.2144.1176.627.7-33.9000111.2
162A44.6Very low47.1Very low94 Ų94138 Ų13878%0.77780%0.799SS**PPolyproline II helixtrans-66.3148.9-175.600000112.9
163R41.2Very low47.4Very low229 Ų229135 Ų13586%0.86480%0.803SS**PPolyproline II helixtrans-72.1136.6167.7-69.2-176.8177.3-179.9-1.3109.8
164F44.4Very low47.6Very low208 Ų208133.2 Ų133.291%0.91281%0.81SS**PPolyproline II helixtrans-102.6125.9163.3-112.9-94.6000108
165D39Very low47.8Very low143 Ų143131.4 Ų131.477%0.76580%0.802SS**  trans-109.8152.2175-85.3-59000110.6
166G41.5Very low47.6Very low65 Ų65135.2 Ų135.267%0.6781%0.809SS**  trans102.1148.418000000113.8
167F43.1Very low47.1Very low209 Ų209136.5 Ų136.592%0.91781%0.809SS**  cis-140.5162.44.2-104.2-93.5000111.7
168V47.9Very low45.9Very low129 Ų129137.6 Ų137.678%0.78281%0.807SS**  trans-125.4140179.91710000109.8
169P49.9Very low44.4Very low126 Ų126138.2 Ų138.282%0.81881%0.809SS**  trans-95.2156.2161.535.1-30000112.5
170Q42.2Very low43.6Very low196 Ų196137 Ų13792%0.91681%0.808SS**  trans-116.3147.2-155179.6-179.1-4.500112.9
171G46.1Very low42.2Very low73 Ų73137 Ų13775%0.75381%0.806SS**  trans-148.728.6-167.400000118.9
172Q45.1Very low41Very low195 Ų195137.9 Ų137.991%0.91180%0.804SS**  trans58143.4167.6-63.6-173.6-10.500119.6
173A39.5Very low40.6Very low106 Ų106137.9 Ų137.988%0.87680%0.798SS**  trans-157.9149.6175.900000112.1
174A41.8Very low40.5Very low108 Ų108134 Ų13489%0.89379%0.794SS**  trans-158.4130.5160.300000109.1
175G39Very low40.2Very low66 Ų66134.2 Ų134.268%0.6879%0.79SS**  cis169.5155.8-13.500000112.4
176Q38.7Very low40.1Very low188 Ų188132.3 Ų132.388%0.87979%0.788SS**  trans66151.1161.9-59.7-165.852.100118.4
177L36.4Very low40.2Very low139 Ų139133.6 Ų133.673%0.72879%0.793SS**  cis-168.2169.6-35.2-121.2172.7000109.1
178I37.5Very low40.5Very low140 Ų140130 Ų13072%0.71879%0.79SS**  trans74.495.2160.4-59.5151.1000119.2
179T37.4Very low40.3Very low130 Ų130131.7 Ų131.780%0.79879%0.793SS**  16.7142.5120.1-18.60000123.2
180A35.3Very low40.3Very low87 Ų87132.4 Ų132.472%0.71979%0.79SS**  trans110.5144.7134.500000121.4
181T35.6Very low40.5Very low120 Ų120133.6 Ų133.674%0.73679%0.786SS**  trans-28.2158.3160.647.60000117.4
182D35.9Very low40.7Very low144 Ų144135.9 Ų135.977%0.7779%0.788SS**  cis-152158.626.9-106.2-41000110.3
183S36.1Very low40.8Very low95 Ų95130.9 Ų130.966%0.66478%0.78SS**  68.8114.877.1-149.20000117.9
184L37.6Very low41.1Very low147 Ų147133.5 Ų133.577%0.7778%0.779SS**  trans71.5115.4158.3-60.8171.3000123.2
185Y38.4Very low41.9Very low212 Ų212133 Ų13383%0.83177%0.767SS**  trans57.5132.3134.7-88.3-93.6000125.1
186S38Very low42.2Very low104 Ų104139.3 Ų139.373%0.72778%0.776SS**  trans87.9117.3140.6-71.60000123.2
187A43.3Very low42.4Very low92 Ų92134.5 Ų134.576%0.7677%0.768SS**  trans73.2130.5142.700000120.8
188P48.5Very low42.6Very low133 Ų133133.2 Ų133.286%0.86477%0.77SS**  trans-85.4145.7170.134.8-33.3000112.7
189I43.2Very low43.3Very low164 Ų164131.7 Ų131.784%0.84177%0.769SS**  trans-91155.4179.9-69.4167.2000111.1
190N50.7Low43.4Very low142 Ų142134.5 Ų134.576%0.75977%0.766SS**  trans-128.6114.1165.4-142.8-26.6000111.7
191R45.7Very low43.8Very low220 Ų220140.8 Ų140.883%0.8377%0.773SS**  trans79.3156.3160-74173-176.1-143-4121
192P50.2Low43.9Very low122 Ų122143.9 Ų143.979%0.79278%0.778SS**  trans-134.8-176.6-147.744.8-27.8000115.5
193A47.6Very low44.1Very low89 Ų89140.5 Ų140.574%0.73678%0.778SS**  176.4135.5123.900000114
194D46.6Very low44.1Very low162 Ų162140.4 Ų140.487%0.86678%0.782SS**  trans63.9156.6146.1-78.27.1000123.9
195P57.5Low44.4Very low97 Ų97142 Ų14263%0.6379%0.79SS**  trans-134.3-171.4-142.144.5-28.2000115.4
196F45.6Very low44.4Very low198 Ų198135.5 Ų135.587%0.86879%0.788SS**  -176150.4126.8-105-69.5000114.5
197A42.4Very low44.3Very low87 Ų87139.4 Ų139.472%0.71979%0.794SS**  trans62.185.8152.100000122.7
198C42.4Very low44.4Very low113 Ų113139.7 Ų139.776%0.76479%0.788SS**  23.8169.1101.4-91.20000122.4
199P51.1Low43.7Very low108 Ų108143.9 Ų143.970%0.70179%0.787SS**  cis-141.4165.8-430.6-7.2000118.7
200Y40.4Very low43.4Very low189 Ų189143.5 Ų143.574%0.74179%0.786SS**  trans30.6148.9133-73.9-107000122.5
201Y43.9Very low42.9Very low219 Ų219144.9 Ų144.986%0.85979%0.79SS**  -154.4157.655.6-109.6-82.8000116.9
202H36.4Very low42.8Very low184 Ų184140.6 Ų140.685%0.85279%0.79SS**  trans-136.7146.5172.5-154.414.8000108.1
203G39.6Very low42.2Very low73 Ų73139.2 Ų139.275%0.75378%0.783SS**  trans-165147.8-176.900000112.4
204A37.1Very low41.6Very low93 Ų93141.9 Ų141.977%0.76979%0.786SS**  trans-140.4-163.3-172.500000111.2
205I42.9Very low41.2Very low182 Ų182140.8 Ų140.893%0.93379%0.785SS**  trans89.8135.9176.4-51.7158.2000114.2
206G39.2Very low40.3Very low75 Ų75139.5 Ų139.577%0.77378%0.782SS**  trans139.7102.2165.400000115.8
207Q35.4Very low40.1Very low185 Ų185138.2 Ų138.286%0.86478%0.781SS**  trans-118.8168.8165.2-95.8-147.719.400108.9
208P46.3Very low39.8Very low99 Ų99138.7 Ų138.764%0.64378%0.779SS**  cis-139-157-27.736.2-16000112.2
209R33.1Very low39.7Very low221 Ų221139.4 Ų139.483%0.83478%0.775SS**  trans94.3148.8144.2-126.2-179.2-166.3-176.53.9119.3
210L38.1Very low39.2Very low156 Ų156140 Ų14082%0.81777%0.772SS**  trans75.7116.8164-58.9171.6000119.1
211M39.8Very low39.2Very low171 Ų171139.4 Ų139.484%0.84278%0.775SS**  trans-71.9161.7151.8-62.1-93.986.700109.5
212P44Very low38.7Very low130 Ų130132.9 Ų132.984%0.84477%0.767SS**  -135.2-173.2108.639.2-30.1000113.5
213S36Very low38.9Very low92 Ų92133.9 Ų133.964%0.64377%0.769SS**  trans-117.9173.3-161.755.60000114.8
214N36.7Very low39.2Very low146 Ų146135.7 Ų135.778%0.78177%0.767SS**  trans77.3157.8151.6-67.7-15.9000120.9
215T38.4Very low39.1Very low139 Ų139137.9 Ų137.985%0.85378%0.776SS**  trans102.1130.5152-390000116.2
216A37.6Very low38.6Very low69 Ų69133.5 Ų133.557%0.5777%0.766SS**  cis-175.4177.5-38.700000108.4
217M41.6Very low38.7Very low171 Ų171135.2 Ų135.284%0.84277%0.767SS**  trans70.9158.9161.1-56-47173.300115.7
218S36.4Very low38.7Very low97 Ų97131.4 Ų131.468%0.67876%0.761SS**  cis-162169.13.4-121.90000108.2
219L39.6Very low38.5Very low129 Ų129133.7 Ų133.768%0.67577%0.773SS**  cis-169.8164.9-22.5-120.7-179.3000107.6
220N39.9Very low39.1Very low119 Ų119128.2 Ų128.264%0.63677%0.766SS**  trans65162.1158.3-65.3-27.7000118.5
221H40.5Very low39.1Very low177 Ų177130.4 Ų130.482%0.81977%0.765SS**  cis-126.8170.30.5-93.1-67.6000111.9
222A34.8Very low38.9Very low82 Ų82131.7 Ų131.768%0.67876%0.76SS**  trans-114.3170.6174.900000112.1
223F40.9Very low38.4Very low205 Ų205129.7 Ų129.790%0.89976%0.755SS**  175.2153.4125.6-105.8-88.2000110.7
224P45.5Very low38.8Very low111 Ų111132.5 Ų132.572%0.72176%0.762SS**  trans-118.5168.2-175.440.8-29.2000114.6
225C34.7Very low38.5Very low140 Ų140131.1 Ų131.195%0.94676%0.763SS**  trans-170166.9145.1-120.80000116.9
226A33.2Very low38.7Very low89 Ų89131.5 Ų131.574%0.73677%0.766SS**  trans-76.8158.5-163.600000119.6
227S39.5Very low38.5Very low112 Ų112134.3 Ų134.378%0.78378%0.776SS**  trans168.8137.5132.241.20000109.7
228S36.7Very low38.4Very low105 Ų105132.2 Ų132.273%0.73477%0.773SS**  cis105.3104.313.676.10000115.3
229T41.5Very low38.6Very low147 Ų147132.9 Ų132.990%0.90278%0.777SS**  trans-167.9154.7145.420.70000111
230P46.2Very low38.3Very low105 Ų105130.2 Ų130.268%0.68278%0.781SS**  trans-133.4-153.6-154.432.8-8.5000115.1
231Y37.3Very low38.4Very low202 Ų202133 Ų13379%0.79280%0.795SS**  trans79.9143.6173.4-74.4-87.8000117
232R36.7Very low38.3Very low199 Ų199130.2 Ų130.275%0.75179%0.794SS**  cis-148.8143.4-3.8-166169-162.21673.2110.1
233A31.7Very low39.3Very low88 Ų88131.8 Ų131.873%0.72780%0.798SS**  trans-116.3153.3160.600000109.3
234L44.8Very low40.1Very low151 Ų151128 Ų12879%0.79179%0.793SS**  trans-127.8123.8170.4-72.3175.8000108.8
235S31.2Very low40.1Very low116 Ų116128.9 Ų128.981%0.81180%0.8SS**  trans-122.3132.4172.4-600000108.3
236T42.9Very low40.3Very low147 Ų147126.2 Ų126.290%0.90280%0.796SS**  trans-119.8100.4172.748.20000109.8
237T33.6Very low40.6Very low129 Ų129126 Ų12679%0.79180%0.802SS**  trans-74.5152.6164.247.40000110.9
238T37.8Very low40.5Very low126 Ų126125.2 Ų125.277%0.77380%0.802SS**  trans175.7138.6135.9-76.20000110.3
239S41.6Very low40.6Very low111 Ų111130 Ų13078%0.77681%0.811SS**  trans39.5135.3166.365.20000120.8
240G32.4Very low40.6Very low73 Ų73132.5 Ų132.575%0.75381%0.812SS**  cis103.585.85.400000113.6
241L41.9Very low40.5Very low177 Ų177136 Ų13693%0.92782%0.819SS**  trans-161.2155.4164.6-109.8162.6000110
242C40.2Very low40.6Very low119 Ų119131.9 Ų131.980%0.80482%0.82SS**PPolyproline II helixtrans-92.1149.8-164.3-54.70000114.9
243P55Low41Very low116 Ų116127.6 Ų127.675%0.75382%0.818SS**PPolyproline II helixtrans-91.3146.115535.4-30.4000111.7
244P57.2Low41.5Very low124 Ų124130.1 Ų130.181%0.80582%0.817SS**PPolyproline II helixtrans-81.2158169.534.1-34.6000112.1
245P45.4Very low41.1Very low131 Ų131126.8 Ų126.885%0.85182%0.82SS**PPolyproline II helixtrans-95.7152179.236.6-34000113.9
246G40.1Very low41.8Very low84 Ų84127.5 Ų127.587%0.86681%0.813SS**  trans114150.816100000115.8
247G38.4Very low41.5Very low85 Ų85129 Ų12988%0.87681%0.81SS**  trans114.781.7177.700000113.6
248A38.5Very low42Very low95 Ų95130.7 Ų130.779%0.78581%0.811SS**  trans-88130.5174.900000111.3
249F37.6Very low42.2Very low206 Ų206131.1 Ų131.190%0.90481%0.809SS**  trans-173.3110151.3-109.6-71.1000110.4
250Q42.5Very low42.3Very low198 Ų198135.3 Ų135.393%0.92581%0.813SS**  trans-158.8149.1146.8-130.6177.327.200111.6
251E43.3Very low42.6Very low178 Ų178138 Ų13883%0.83281%0.814SS**  trans-97.8134.4-169.4-60.5165.6119.800111.3
252S39.1Very low42.7Very low116 Ų116136.2 Ų136.281%0.81181%0.806SS**  trans-67.9154.4162.3-53.30000109.8
253P45.1Very low42.5Very low109 Ų109138.3 Ų138.371%0.70881%0.809SS**  -149.7156.392.838.5-22.2000116.7
254I42.7Very low41.9Very low141 Ų141140.3 Ų140.372%0.72381%0.81SS**  trans64.688.7154.6-57.7152.4000116.1I256I254-I256 HydrophobicContact CG2-CD1 4.08Å; I254-I256 HydrophobicContact CG2-CG1 3.52Å
255G37.3Very low41.2Very low82 Ų82140.6 Ų140.685%0.84581%0.809SS**  trans-91.4123.9142.900000108.9
256I44.4Very low41.1Very low130 Ų130138.1 Ų138.167%0.66780%0.8SS**  trans-89.8114.6177.8-60.8-179000109.4I254 M258I254-I256 HydrophobicContact CG2-CD1 4.08Å; I254-I256 HydrophobicContact CG2-CG1 3.52Å; I256-M258 HydrophobicContact CG2-CE 4.37Å; I256-M258 HydrophobicContact CG2-CG 4.42Å; I256-M258 PolarHBondContact O-N 3.04Å
257E37.8Very low41.3Very low179 Ų179140 Ų14084%0.83680%0.797SS**  trans-69.9107.8171.3-171.6164.9-135.700110
258M44.2Very low41.4Very low165 Ų165140.5 Ų140.581%0.81379%0.793SS**  trans-9989.1173.9-86.1-72.9174.100109.5I256I256-M258 HydrophobicContact CG2-CE 4.37Å; I256-M258 HydrophobicContact CG2-CG 4.42Å; I256-M258 PolarHBondContact O-N 3.04Å
259D41.9Very low41.4Very low135 Ų135142.2 Ų142.272%0.72279%0.794SS**  trans-66.8142.1-175.4-154.8-7.5000112.5V261D259-V261 VanDerWaalsContact C-N 3.35Å; D259-V261 PolarHBondContact O-N 3.3Å
260K43.8Very low41.5Very low198 Ų198136.4 Ų136.486%0.86178%0.784SS**  trans-84.968.5-165.2-74.6-175.7178.3175.10113.2N262K260-N262 PolarHBondContact O-N 3.04Å
261V39.1Very low41.2Very low129 Ų129137.2 Ų137.278%0.78278%0.78SS**  trans-77.281.7176.6-167.80000111.6D259D259-V261 VanDerWaalsContact C-N 3.35Å; D259-V261 PolarHBondContact O-N 3.3Å
262N43.2Very low41.2Very low140 Ų140135.1 Ų135.175%0.74978%0.779SS**  trans-155.141.3165.8-120.6-21.6000115.9K260 M264K260-N262 PolarHBondContact O-N 3.04Å; N262-M264 PolarHBondContact O-N 3.09Å
263N35.9Very low41.4Very low163 Ų163133.5 Ų133.587%0.87277%0.768SS**  trans-75.472167-83.8-21.4000111.4V265N263-V265 PolarHBondContact O-N 3.4Å; N263-V265 VanDerWaalsContact O-N 3.14Å
264M42.5Very low41.6Very low159 Ų159133.8 Ų133.878%0.78377%0.77SS**  trans-75.996.2168.5-80-95.964.600110N262 A266N262-M264 PolarHBondContact O-N 3.09Å; M264-A266 PolarHBondContact O-N 3.27Å
265V41.5Very low41.5Very low129 Ų129134.7 Ų134.778%0.78277%0.773SS**PPolyproline II helixtrans-55.6128.9175.91750000110.4N263N263-V265 PolarHBondContact O-N 3.4Å; N263-V265 VanDerWaalsContact O-N 3.14Å
266A44.9Very low41.9Very low79 Ų79138.5 Ų138.565%0.65377%0.772SS**PPolyproline II helixtrans-64.4133.6175.300000110.4M264 A268M264-A266 PolarHBondContact O-N 3.27Å; A266-A268 PolarHBondContact O-N 3.25Å; A266-A268 VanDerWaalsContact O-N 3.16Å
267P44.5Very low41.9Very low123 Ų123139.8 Ų139.880%0.79977%0.773SS**PPolyproline II helixtrans-65.2119.4176.127.2-33.2000109.2T269P267-T269 PolarHBondContact O-N 2.85Å
268A38.9Very low41.7Very low97 Ų97134.3 Ų134.380%0.80277%0.765SS**  trans-61.2113.5177.300000109.7A266 A270A266-A268 PolarHBondContact O-N 3.25Å; A266-A268 VanDerWaalsContact O-N 3.16Å; A268-A270 VanDerWaalsContact C-N 3.28Å; A268-A270 PolarHBondContact O-N 3.06Å
269T40.2Very low41.7Very low130 Ų130134.5 Ų134.580%0.79876%0.764SS**  trans-69.289.6170.848.40000108.6P267 Y271P267-T269 PolarHBondContact O-N 2.85Å; T269-Y271 PolarHBondContact O-N 3.17Å
270A38.4Very low41.7Very low85 Ų85137 Ų13770%0.70277%0.771SS**  trans-58.3108.8175.800000109.4A268 V272A268-A270 VanDerWaalsContact C-N 3.28Å; A268-A270 PolarHBondContact O-N 3.06Å; A270-V272 VanDerWaalsContact C-N 3.35Å; A270-V272 PolarHBondContact O-N 3.46Å
271Y37.2Very low41.6Very low214 Ų214135.4 Ų135.484%0.83977%0.769SS**  trans-66.297.4167.5-111-101.4000107.6T269 S273T269-Y271 PolarHBondContact O-N 3.17Å; Y271-S273 PolarHBondContact O-N 3.36Å
272V42.8Very low42.4Very low134 Ų134134.8 Ų134.881%0.81277%0.767SS**  trans-7483.1166.6-177.30000106.8A270A270-V272 VanDerWaalsContact C-N 3.35Å; A270-V272 PolarHBondContact O-N 3.46Å
273S43Very low42.5Very low83 Ų83136.3 Ų136.358%0.5877%0.77SS**  trans-53.3135.6168.2-63.20000108.9Y271 M275Y271-S273 PolarHBondContact O-N 3.36Å; S273-M275 PolarHBondContact O-N 2.95Å; S273-M275 VanDerWaalsContact O-N 3.08Å
274P50.2Low42.9Very low114 Ų114134 Ų13474%0.7476%0.764SS**  trans-62.1117.4175.426-32.9000108.9I276P274-I276 PolarHBondContact O-N 3.39Å
275M39.6Very low43.1Very low161 Ų161132.1 Ų132.179%0.79377%0.766SS**  trans-62.1103.1169.6-88.8177.756.900108.6S273 F277S273-M275 PolarHBondContact O-N 2.95Å; S273-M275 VanDerWaalsContact O-N 3.08Å; M275-F277 HydrophobicContact CE-CD2 4.36Å; M275-F277 PolarHBondContact O-N 2.94Å
276I46.2Very low43Very low161 Ų161131.7 Ų131.783%0.82677%0.769SS**  trans-66.4103.9166-61.4176.8000106.2P274 G278P274-I276 PolarHBondContact O-N 3.39Å; I276-G278 VanDerWaalsContact C-N 3.26Å; I276-G278 PolarHBondContact O-N 3.28Å
277F43.2Very low42.8Very low157 Ų157134.2 Ų134.269%0.68978%0.78SS**  trans-76.980.3-177-150.9-77.7000109.5M275 Q279M275-F277 HydrophobicContact CE-CD2 4.36Å; M275-F277 PolarHBondContact O-N 2.94Å; F277-Q279 VanDerWaalsContact C-N 3.31Å; F277-Q279 HydrophobicContact CD1-CG 4.08Å; F277-Q279 HydrophobicContact CE1-CG 4.2Å; F277-Q279 PolarHBondContact O-N 2.88Å
278G34.5Very low42.7Very low65 Ų65134 Ų13467%0.6778%0.782SS**  trans-6981.8179.300000112I276I276-G278 VanDerWaalsContact C-N 3.26Å; I276-G278 PolarHBondContact O-N 3.28Å
279Q43.9Very low43.2Very low169 Ų169134.7 Ų134.779%0.7978%0.778SS**PPolyproline II helixtrans-64.9134.1166-87.3-175.4-2.100110F277F277-Q279 VanDerWaalsContact C-N 3.31Å; F277-Q279 HydrophobicContact CD1-CG 4.08Å; F277-Q279 HydrophobicContact CE1-CG 4.2Å; F277-Q279 PolarHBondContact O-N 2.88Å
280Q42.7Very low43.4Very low186 Ų186136.2 Ų136.287%0.86978%0.781SS**PPolyproline II helixtrans-77.2138.4-177.1-66.7168.2-18.700110.4P282Q280-P282 WeakPolarHBondContact O-CD 3.47Å
281M41.7Very low43.4Very low166 Ų166140.6 Ų140.682%0.81879%0.788SS**PPolyproline II helixtrans-70127.3170-75.7-78.8-68.400110.4Q283M281-Q283 PolarHBondContact O-N 3.47Å
282P56Low43.9Very low115 Ų115137 Ų13775%0.74779%0.792SS**PPolyproline II helixtrans-67.6123.8159.4-14.530.3000109.3Q280Q280-P282 WeakPolarHBondContact O-CD 3.47Å
283Q43.8Very low43.7Very low172 Ų172137.9 Ų137.980%0.80479%0.792SS**PPolyproline II helixtrans-73.7129.2173.4-72.6-77.25.100109.9M281 S285M281-Q283 PolarHBondContact O-N 3.47Å; Q283-S285 PolarHBondContact O-N 3.47Å
284P44.9Very low43.7Very low114 Ų114138.3 Ų138.374%0.7479%0.791SS**  trans-77.8102.9172.230.7-31.8000110.2S286P284-S286 PolarHBondContact O-N 3.42Å
285S47.4Very low43.4Very low120 Ų120144.2 Ų144.284%0.83980%0.799SS**  trans-69.8116.8173.655.50000111Q283Q283-S285 PolarHBondContact O-N 3.47Å
286S38.4Very low43.6Very low120 Ų120142.2 Ų142.284%0.83980%0.8SS**  trans-78.1122.5-179.455.90000112.9P284P284-S286 PolarHBondContact O-N 3.42Å
287C40.5Very low43.6Very low132 Ų132141.7 Ų141.789%0.89280%0.799SS**  trans-137.6140.1153.6-101.60000109.4
288S42.4Very low43.5Very low120 Ų120139.8 Ų139.884%0.83980%0.804SS**  trans-99.9177.4-176.1-123.20000111.2
289P49.2Very low44.1Very low111 Ų111142.9 Ų142.972%0.72182%0.815SS**  trans-96.6170.8-13539.1-39.6000114.1
290N45.6Very low44.1Very low161 Ų161138.1 Ų138.186%0.86181%0.811SS**  trans-154.4161.1141.3-107.5-19000111.6
291E38.4Very low44.3Very low178 Ų178132.7 Ų132.783%0.83281%0.805SS**  trans-73.4140.6179.2-58.8158.2121.600111.4
292C46.7Very low44.5Very low139 Ų139132.7 Ų132.794%0.93981%0.808SS**  -176.4161.3126.4-1030000111.5
293D39.1Very low44.2Very low151 Ų151130.8 Ų130.881%0.80780%0.802SS**  trans-114.4174.4-167.9-174.723.1000112
294V44.4Very low44.7Very low92 Ų92128.8 Ų128.856%0.55880%0.802SS**  trans75.5103.4161.7-165.50000117.8
295R43.1Very low44.9Very low238 Ų238130.3 Ų130.390%0.89880%0.804SS**  trans45.8121.6143.9-54.6167.6177.6153.9-4.9119.4
296S44.4Very low44.8Very low119 Ų119131 Ų13183%0.83281%0.808SS**  -157.7162118.5-153.90000114.4
297L44.7Very low45.2Very low150 Ų150130.7 Ų130.779%0.78581%0.806SS**  trans-60.9145.5-168.4-61.2158.7000116.9
298C42.4Very low45.5Very low118 Ų118132 Ų13280%0.79780%0.803SS**  trans24.5129130.5-48.60000120.4
299S46.3Very low45.7Very low130 Ų130133.6 Ų133.691%0.90980%0.802SS**  175.3163.698.4-165.80000111.8
300G44.4Very low45.8Very low69 Ų69135.2 Ų135.271%0.71181%0.81SS**  trans123.237.9146.800000122.2
301G46.1Very low45.8Very low71 Ų71135.3 Ų135.373%0.73281%0.807SS**  trans59.9179.3151.400000119.9
302D45.6Very low46.3Very low166 Ų166135.5 Ų135.589%0.88881%0.807SS**  cis-159.8173.2-20.1-130.7-42.2000112.1
303A50.3Low46.5Very low76 Ų76134.2 Ų134.263%0.62879%0.792SS**  trans74.7107.6159.600000121.6
304V55.2Low46.8Very low130 Ų130137.2 Ų137.279%0.78880%0.8SS**  trans84.8122133.3-570000124.3
305D47.8Very low46.9Very low146 Ų146136 Ų13678%0.78180%0.799SS**  trans74.276.1137.8-63.11.4000121.4
306S46.1Very low47.3Very low133 Ų133133.1 Ų133.193%0.9380%0.799SS**  trans-145.391.6142.3-78.80000110.7
307S46.5Very low47.6Very low115 Ų115132 Ų13280%0.80479%0.79SS**  trans-114.7104.8-174.2-175.90000112.3
308L47.7Very low47.6Very low159 Ų159135.1 Ų135.183%0.83280%0.798SS**  trans-171.8130.1160.6-106.1157.2000111.4
309L46.4Very low47.9Very low154 Ų154133.8 Ų133.881%0.80679%0.79SS**SBendtrans69.160.3171.9-68.595.6000119.9
310T49.7Very low48.1Very low145 Ų145137.9 Ų137.989%0.8979%0.787SS**  trans-148.973.1145.75.70000112.3
311M47.3Very low48.4Very low162 Ų162140.9 Ų140.980%0.79879%0.794SS**  trans-138.5107.4171.7-76.9-67.4-6900109.7D313M311-D313 WeakPolarHBondContact CE-OD1 3.34Å
312H49Very low48.7Very low182 Ų182140.3 Ų140.384%0.84379%0.787SS**  trans-15151.8160.3-158.2-48.3000111.3
313D50.1Low48.9Very low113 Ų113138.9 Ų138.960%0.60479%0.785SS**  trans49.492.4139.3-53.3-11.3000119.2M311 A315M311-D313 WeakPolarHBondContact CE-OD1 3.34Å; D313-A315 VanDerWaalsContact C-N 3.29Å; D313-A315 PolarHBondContact O-N 3.24Å; D313-A315 VanDerWaalsContact O-N 3.11Å
314H44.3Very low49.1Very low213 Ų213140.5 Ų140.599%0.98679%0.792SS**  trans-70.783.1146.3-100.1-45.7000109.9
315A47.3Very low48.9Very low66 Ų66142.4 Ų142.455%0.54580%0.798SS.*  trans-155.989.6173.500000113.8D313D313-A315 VanDerWaalsContact C-N 3.29Å; D313-A315 PolarHBondContact O-N 3.24Å; D313-A315 VanDerWaalsContact O-N 3.11Å
316M52Low49.1Very low179 Ų179143.4 Ų143.488%0.88280%0.797SS**  trans171140.5149.3-80.3-35.5135.900107.4
317S50.1Low49.6Very low94 Ų94147 Ų14766%0.65779%0.792SS**  cis-155138.4-24.2-97.10000108.4S319S317-S319 PolarHBondContact O-N 3.32Å
318K45.1Very low49.9Very low216 Ų216143.4 Ų143.494%0.93977%0.774SS**  trans-91.581179-73.4-176.6178.5177.70111.8
319S48.3Very low50.3Low90 Ų90142.1 Ų142.163%0.62977%0.766SS**  trans-168.4113168.137.80000113.3S317S317-S319 PolarHBondContact O-N 3.32Å
320Y50Low50.7Low217 Ų217143 Ų14385%0.85177%0.765SS**  163.7113.5122.9-103.4-78.8000111.4
321P52.5Low51.1Low132 Ų132144.7 Ų144.786%0.85776%0.761SS**  trans-88.3114.2160.832.4-26.2000109.2
322G51.1Low51.4Low58 Ų58146 Ų14660%0.59876%0.757SS**  trans-168.695.6-174.400000116.2
323T50.5Low51.7Low136 Ų136149 Ų14983%0.83476%0.761SS**  trans32.6102.5136570000119.6
324S53.6Low51.7Low110 Ų110147.8 Ų147.877%0.76977%0.766SS**  trans-173.2116.2137.224.80000111.5E326S324-E326 PolarHBondContact O-N 2.93Å
325D51.8Low52.2Low171 Ų171144.3 Ų144.391%0.91475%0.753SS**  trans-89.976.3-169.6-67.9-75.8000114
326E52.8Low52.4Low166 Ų166146.5 Ų146.578%0.77676%0.76SS**  trans-125.8-10.1178.2-141169-165.600115.8S324 G328S324-E326 PolarHBondContact O-N 2.93Å; E326-G328 PolarHBondContact O-N 2.97Å; E326-G328 VanDerWaalsContact O-N 3.13Å
327Y54.8Low52.6Low209 Ų209145 Ų14582%0.8276%0.761SS**THydrogen-bonded Turntrans-75.85.6175.2-83.1-86.4000114.8I329Y327-I329 PolarHBondContact O-N 3.4Å
328G54.4Low53Low40 Ų40143.1 Ų143.141%0.41275%0.751SS.*THydrogen-bonded Turntrans-76.7-9.3-172.800000116.8E326 R332E326-G328 PolarHBondContact O-N 2.97Å; E326-G328 VanDerWaalsContact O-N 3.13Å; G328-R332 PolarHBondContact O-NE 3.29Å; G328-R332 PolarHBondContact O-NH2 3.43Å
329I55.2Low53.5Low132 Ų132134.8 Ų134.868%0.67772%0.719SS**THydrogen-bonded Turntrans-102.4-45-170.7-59.1-179.8000112.3Y327 K331 R332Y327-I329 PolarHBondContact O-N 3.4Å; I329-K331 VanDerWaalsContact C-N 3.29Å; I329-K331 PolarHBondContact O-N 3.49Å; I329-R332 PolarHBondContact O-N 3.28Å
330H54.5Low54.1Low171 Ų171142.6 Ų142.679%0.79274%0.735SS**G310 helixtrans-68.6-21.1-173.9-78.890.9000114.8R332H330-R332 VanDerWaalsContact C-N 3.27Å; H330-R332 PolarHBondContact O-N 2.94Å
331K57.5Low55.3Low181 Ų181136.4 Ų136.479%0.78772%0.717SS**G310 helixtrans-76.3-1.9179-71.7-172.3176.5179.50115.2I329I329-K331 VanDerWaalsContact C-N 3.29Å; I329-K331 PolarHBondContact O-N 3.49Å
332R55.4Low56.8Low189 Ų189137.8 Ų137.871%0.71371%0.712SS**G310 helixtrans-105.17.6-175.8-84.7-179-87.5-152.4-4116.4G328 I329 H330G328-R332 PolarHBondContact O-NE 3.29Å; G328-R332 PolarHBondContact O-NH2 3.43Å; I329-R332 PolarHBondContact O-N 3.28Å; H330-R332 VanDerWaalsContact C-N 3.27Å; H330-R332 PolarHBondContact O-N 2.94Å
333R54.2Low58.5Low246 Ų246140.9 Ų140.993%0.92871%0.71SS**SBendtrans-112.92.5171.3-77.1-169176.4-170.50.4115.7I335R333-I335 PolarHBondContact O-N 3.21Å; R333-I335 VanDerWaalsContact O-N 3.16Å
334A50.6Low60.2Low88 Ų88137.2 Ų137.273%0.72769%0.685SS**  trans-84.939.5171.100000112.6V336A334-V336 PolarHBondContact O-N 3.36Å
335I54.5Low61.8Low139 Ų139135.8 Ų135.871%0.71367%0.669SS**  trans-79.489.4179.5-57.4-178.6000109.6R333 T337R333-I335 PolarHBondContact O-N 3.21Å; R333-I335 VanDerWaalsContact O-N 3.16Å; I335-T337 PolarHBondContact O-N 2.96Å
336V51.7Low63.7Low113 Ų113132 Ų13269%0.68565%0.645SS**  trans46.469.7136.7-164.50000115.6A334 A338A334-V336 PolarHBondContact O-N 3.36Å; V336-A338 HydrophobicContact CG1-CB 3.55Å; V336-A338 PolarHBondContact O-N 3.44Å
337T56.8Low65.5Low146 Ų146127.9 Ų127.990%0.89663%0.626SS**  trans-83.258.9135.7480000109.4I335I335-T337 PolarHBondContact O-N 2.96Å
338A57Low67.2Low56 Ų56125.5 Ų125.546%0.46362%0.616SS.*  trans-58.4141.3159.800000108V336 R340V336-A338 HydrophobicContact CG1-CB 3.55Å; V336-A338 PolarHBondContact O-N 3.44Å; A338-R340 PolarHBondContact O-N 2.86Å
339P56Low69Low40 Ų40130.7 Ų130.726%0.2662%0.623SS.*  trans-58.4112.2174.7-20.632.9000108.7N341 D344 L345P339-N341 PolarHBondContact O-N 3.14Å; P339-D344 HydrophobicContact CB-CB 3.93Å; P339-L345 HydrophobicContact CB-CD2 4.49Å; P339-L345 HydrophobicContact CB-CG 4.07Å; P339-L345 HydrophobicContact CG-CD2 3.93Å; P339-L345 HydrophobicContact CG-CG 4.06Å
340R61Low70.9Confident255 Ų255126.3 Ų126.396%0.96261%0.607SS**SBendtrans-76.6-0.1-176.4-98.4-173.7171.2-170.5-2.9113.2A338A338-R340 PolarHBondContact O-N 2.86Å
341N76.2Confident72.9Confident87 Ų87125 Ų12547%0.46560%0.595SS.*SBendtrans-127.4129.3178.2-168.5-1.7000108.9P339 H343 D344P339-N341 PolarHBondContact O-N 3.14Å; N341-H343 PolarHBondContact O-N 3.43Å; N341-H343 WeakPolarHBondContact OD1-CB 3.22Å; N341-H343 PolarHBondContact OD1-N 3.09Å; N341-D344 PolarHBondContact O-N 3.21Å; N341-D344 VanDerWaalsContact O-N 3.15Å
342E83Confident74.7Confident161 Ų161119.8 Ų119.875%0.75258%0.581SS**Hα-helixtrans-61.3-32.3177.2-174.7168.7-164.200111.4D344 L345 E346E342-D344 VanDerWaalsContact C-N 3.28Å; E342-D344 PolarHBondContact O-N 2.99Å; E342-L345 WeakPolarHBondContact O-CB 3.49Å; E342-L345 PolarHBondContact O-N 3.07Å; E342-L345 VanDerWaalsContact O-N 3.11Å; E342-E346 PolarHBondContact O-N 2.74Å
343H87.3Confident76.6Confident122 Ų122115.1 Ų115.157%0.56557%0.569SS**Hα-helixtrans-51.6-42.1172.2-176.1-84.4000113.1N341 L345 E346 E347N341-H343 PolarHBondContact O-N 3.43Å; N341-H343 WeakPolarHBondContact OD1-CB 3.22Å; N341-H343 PolarHBondContact OD1-N 3.09Å; H343-L345 VanDerWaalsContact C-N 3.3Å; H343-L345 PolarHBondContact O-N 3.19Å; H343-E346 PolarHBondContact O-N 3.36Å; H343-E347 WeakPolarHBondContact O-CB 3.3Å; H343-E347 PolarHBondContact O-N 2.87Å
344D87.1Confident78.7Confident59 Ų59109.6 Ų109.632%0.31655%0.554SS.*Hα-helixtrans-70-29-177.6-61.42000112.2P339 N341 E342 R348P339-D344 HydrophobicContact CB-CB 3.93Å; N341-D344 PolarHBondContact O-N 3.21Å; N341-D344 VanDerWaalsContact O-N 3.15Å; E342-D344 VanDerWaalsContact C-N 3.28Å; E342-D344 PolarHBondContact O-N 2.99Å; D344-R348 WeakPolarHBondContact O-CD 3.18Å; D344-R348 WeakPolarHBondContact O-CG 3.3Å; D344-R348 PolarHBondContact O-N 2.74Å
345L86.4Confident80.9Confident81 Ų81111.8 Ų111.842%0.42455%0.549SS..Hα-helixtrans-76-41.6174.8-76.2166.8000110.8P339 E342 H343 R348 R349P339-L345 HydrophobicContact CB-CD2 4.49Å; P339-L345 HydrophobicContact CB-CG 4.07Å; P339-L345 HydrophobicContact CG-CD2 3.93Å; P339-L345 HydrophobicContact CG-CG 4.06Å; E342-L345 WeakPolarHBondContact O-CB 3.49Å; E342-L345 PolarHBondContact O-N 3.07Å; E342-L345 VanDerWaalsContact O-N 3.11Å; H343-L345 VanDerWaalsContact C-N 3.3Å; H343-L345 PolarHBondContact O-N 3.19Å; L345-R348 PolarHBondContact O-N 3.01Å; L345-R349 WeakPolarHBondContact O-CG 3.44Å; L345-R349 PolarHBondContact O-N 2.98Å
346E90.7Very high82.9Confident90 Ų90111.5 Ų111.542%0.42154%0.543SS..Hα-helixtrans-71.6-35.4177.7-16252.4-132.100112.1E342 H343 R348 R349 A350E342-E346 PolarHBondContact O-N 2.74Å; H343-E346 PolarHBondContact O-N 3.36Å; E346-R348 VanDerWaalsContact C-N 3.33Å; E346-R348 PolarHBondContact O-N 3.34Å; E346-R349 WeakPolarHBondContact O-CB 3.36Å; E346-R349 PolarHBondContact O-N 3.13Å; E346-R349 VanDerWaalsContact O-N 3.17Å; E346-R349 WeakPolarHBondContact OE2-CD 3.4Å; E346-R349 IonicContact OE2-CZ 3.71Å; E346-R349 IonicContact OE2-NE 3.8Å; E346-R349 IonicContact OE2-NH1 2.83Å; E346-R349 PolarHBondContact OE2-NH1 3.3Å; E346-A350 WeakPolarHBondContact O-CB 3.32Å; E346-A350 PolarHBondContact O-N 3.03Å
347E90.5Very high85.1Confident80 Ų80112.7 Ų112.737%0.37454%0.539SS..Hα-helixtrans-63.2-39.5172.1-157.1-158.316300111.6H343 A350 R351H343-E347 WeakPolarHBondContact O-CB 3.3Å; H343-E347 PolarHBondContact O-N 2.87Å; E347-A350 PolarHBondContact O-N 3.41Å; E347-R351 WeakPolarHBondContact O-CB 3.26Å; E347-R351 VanDerWaalsContact O-CG 3.23Å; E347-R351 WeakPolarHBondContact O-CG 3.37Å; E347-R351 PolarHBondContact O-N 2.86Å; E347-R351 IonicContact OE1-CZ 2.77Å; E347-R351 IonicContact OE1-NE 3.13Å; E347-R351 PolarHBondContact OE1-NE 3.35Å; E347-R351 IonicContact OE1-NH2 2.65Å; E347-R351 PolarHBondContact OE1-NH2 3.31Å; E347-R351 IonicContact OE2-NH2 3.96Å
348R91Very high87Confident159 Ų159107.9 Ų107.960%0.651%0.514SS*.Hα-helixtrans-64.8-37.7173.3-74.1171.8-170.6-167.94.8112.3D344 L345 E346 S352D344-R348 WeakPolarHBondContact O-CD 3.18Å; D344-R348 WeakPolarHBondContact O-CG 3.3Å; D344-R348 PolarHBondContact O-N 2.74Å; L345-R348 PolarHBondContact O-N 3.01Å; E346-R348 VanDerWaalsContact C-N 3.33Å; E346-R348 PolarHBondContact O-N 3.34Å; R348-S352 VanDerWaalsContact O-CB 3.29Å; R348-S352 WeakPolarHBondContact O-CB 3.48Å; R348-S352 PolarHBondContact O-N 3.11Å
349R93.4Very high89Confident149 Ų149109.9 Ų109.956%0.56252%0.516SS*.Hα-helixtrans-64.9-48.7172.7-74165.1171.31760.9111.4L345 E346 R351 S352 I353L345-R349 WeakPolarHBondContact O-CG 3.44Å; L345-R349 PolarHBondContact O-N 2.98Å; E346-R349 WeakPolarHBondContact O-CB 3.36Å; E346-R349 PolarHBondContact O-N 3.13Å; E346-R349 VanDerWaalsContact O-N 3.17Å; E346-R349 WeakPolarHBondContact OE2-CD 3.4Å; E346-R349 IonicContact OE2-CZ 3.71Å; E346-R349 IonicContact OE2-NE 3.8Å; E346-R349 IonicContact OE2-NH1 2.83Å; E346-R349 PolarHBondContact OE2-NH1 3.3Å; R349-R351 PolarHBondContact O-N 3.39Å; R349-S352 WeakPolarHBondContact O-CB 3.48Å; R349-S352 PolarHBondContact O-N 2.85Å; R349-S352 VanDerWaalsContact O-N 3.15Å; R349-I353 VanDerWaalsContact O-CG1 3.3Å; R349-I353 WeakPolarHBondContact O-CG1 3.4Å; R349-I353 PolarHBondContact O-N 3.48Å
350A94.7Very high91Very high41 Ų41111.1 Ų111.134%0.33952%0.52SS..Hα-helixtrans-58.1-47.2177.500000111.9E346 E347 S352 I353 Q354E346-A350 WeakPolarHBondContact O-CB 3.32Å; E346-A350 PolarHBondContact O-N 3.03Å; E347-A350 PolarHBondContact O-N 3.41Å; A350-S352 PolarHBondContact O-N 2.96Å; A350-I353 PolarHBondContact O-N 2.74Å; A350-Q354 WeakPolarHBondContact O-CB 3.5Å; A350-Q354 WeakPolarHBondContact O-CG 3.46Å; A350-Q354 PolarHBondContact O-N 3.03Å
351R95.3Very high92.7Very high142 Ų142105.5 Ų105.554%0.53651%0.505SS..Hα-helixtrans-60.2-42174.1-72.1170.1177.5-130.610.7112.1E347 R349 Q354 Q355E347-R351 WeakPolarHBondContact O-CB 3.26Å; E347-R351 VanDerWaalsContact O-CG 3.23Å; E347-R351 WeakPolarHBondContact O-CG 3.37Å; E347-R351 PolarHBondContact O-N 2.86Å; E347-R351 IonicContact OE1-CZ 2.77Å; E347-R351 IonicContact OE1-NE 3.13Å; E347-R351 PolarHBondContact OE1-NE 3.35Å; E347-R351 IonicContact OE1-NH2 2.65Å; E347-R351 PolarHBondContact OE1-NH2 3.31Å; E347-R351 IonicContact OE2-NH2 3.96Å; R349-R351 PolarHBondContact O-N 3.39Å; R351-Q354 PolarHBondContact O-N 3Å; R351-Q355 WeakPolarHBondContact O-CG 3.34Å; R351-Q355 PolarHBondContact O-N 3.49Å
352S96.2Very high93.7Very high72 Ų72107.3 Ų107.350%0.50351%0.511SS..Hα-helixtrans-65.3-41.8176.2-176.80000112.5R348 R349 A350 Q355 K356R348-S352 VanDerWaalsContact O-CB 3.29Å; R348-S352 WeakPolarHBondContact O-CB 3.48Å; R348-S352 PolarHBondContact O-N 3.11Å; R349-S352 WeakPolarHBondContact O-CB 3.48Å; R349-S352 PolarHBondContact O-N 2.85Å; R349-S352 VanDerWaalsContact O-N 3.15Å; A350-S352 PolarHBondContact O-N 2.96Å; S352-Q355 PolarHBondContact O-N 2.84Å; S352-K356 PolarHBondContact O-N 2.86Å
353I96.3Very high94.4Very high91 Ų91103.2 Ų103.247%0.46749%0.493SS..Hα-helixtrans-64.6-40.6175.1-68.7164.1000110.8R349 A350 K356 K357R349-I353 VanDerWaalsContact O-CG1 3.3Å; R349-I353 WeakPolarHBondContact O-CG1 3.4Å; R349-I353 PolarHBondContact O-N 3.48Å; A350-I353 PolarHBondContact O-N 2.74Å; I353-K356 PolarHBondContact O-N 3.32Å; I353-K357 HydrophobicContact CG2-CD 4.35Å; I353-K357 WeakPolarHBondContact O-CB 3.37Å; I353-K357 WeakPolarHBondContact O-CG 3.19Å; I353-K357 PolarHBondContact O-N 3.33Å
354Q96.9Very high94.8Very high131 Ų131103.9 Ų103.961%0.61250%0.496SS*.Hα-helixtrans-63.5-45.8173.7-74.8175.5-4.100112A350 R351 K356 K357 A358A350-Q354 WeakPolarHBondContact O-CB 3.5Å; A350-Q354 WeakPolarHBondContact O-CG 3.46Å; A350-Q354 PolarHBondContact O-N 3.03Å; R351-Q354 PolarHBondContact O-N 3Å; Q354-K356 PolarHBondContact O-N 3.5Å; Q354-K357 PolarHBondContact O-N 3.35Å; Q354-A358 PolarHBondContact O-N 3.42Å
355Q96.9Very high95.3Very high133 Ų133106.1 Ų106.162%0.62151%0.505SS*.Hα-helixtrans-60.2-43.9175.5-75.9177.4-6.600111.9R351 S352 A358 I359R351-Q355 WeakPolarHBondContact O-CG 3.34Å; R351-Q355 PolarHBondContact O-N 3.49Å; S352-Q355 PolarHBondContact O-N 2.84Å; Q355-A358 PolarHBondContact O-N 2.92Å; Q355-I359 WeakPolarHBondContact O-CG1 3.35Å; Q355-I359 PolarHBondContact O-N 2.88Å
356K97Very high95.8Very high133 Ų133107.8 Ų107.858%0.57851%0.511SS*.Hα-helixtrans-61.1-47.4175-176.4177.7175.6-175.80111.6S352 I353 Q354 A358 I359 D360S352-K356 PolarHBondContact O-N 2.86Å; I353-K356 PolarHBondContact O-N 3.32Å; Q354-K356 PolarHBondContact O-N 3.5Å; K356-A358 VanDerWaalsContact C-N 3.32Å; K356-A358 PolarHBondContact O-N 3.47Å; K356-I359 PolarHBondContact O-N 3.2Å; K356-I359 VanDerWaalsContact O-N 3.17Å; K356-D360 VanDerWaalsContact CE-OD2 3.3Å; K356-D360 WeakPolarHBondContact CE-OD2 3.46Å; K356-D360 WeakPolarHBondContact CG-OD2 3.26Å; K356-D360 PolarHBondContact O-N 2.88Å
357K97.6Very high96.1Very high139 Ų139111.8 Ų111.860%0.60452%0.522SS*.Hα-helixtrans-56.8-44.3176.8-77.5178.5177.2-174.50112I353 Q354 I359 D360 E361I353-K357 HydrophobicContact CG2-CD 4.35Å; I353-K357 WeakPolarHBondContact O-CB 3.37Å; I353-K357 WeakPolarHBondContact O-CG 3.19Å; I353-K357 PolarHBondContact O-N 3.33Å; Q354-K357 PolarHBondContact O-N 3.35Å; K357-I359 VanDerWaalsContact C-N 3.35Å; K357-I359 PolarHBondContact O-N 2.89Å; K357-D360 PolarHBondContact O-N 2.93Å; K357-E361 VanDerWaalsContact O-CB 3.26Å; K357-E361 WeakPolarHBondContact O-CB 3.32Å; K357-E361 PolarHBondContact O-N 2.9Å
358A97.5Very high96.4Very high45 Ų45115.4 Ų115.437%0.37253%0.532SS..Hα-helixtrans-64.5-36.2177.900000113Q354 Q355 K356 Q362Q354-A358 PolarHBondContact O-N 3.42Å; Q355-A358 PolarHBondContact O-N 2.92Å; K356-A358 VanDerWaalsContact C-N 3.32Å; K356-A358 PolarHBondContact O-N 3.47Å; A358-Q362 WeakPolarHBondContact O-CG 3.28Å; A358-Q362 PolarHBondContact O-N 2.85Å
359I97.5Very high96.7Very high97 Ų97114.2 Ų114.250%0.49753%0.531SS..Hα-helixtrans-69.3-46.4174.3-67.7165000110.8Q355 K356 K357 E361 Q362 I363Q355-I359 WeakPolarHBondContact O-CG1 3.35Å; Q355-I359 PolarHBondContact O-N 2.88Å; K356-I359 PolarHBondContact O-N 3.2Å; K356-I359 VanDerWaalsContact O-N 3.17Å; K357-I359 VanDerWaalsContact C-N 3.35Å; K357-I359 PolarHBondContact O-N 2.89Å; I359-E361 VanDerWaalsContact C-N 3.3Å; I359-E361 PolarHBondContact O-N 3.07Å; I359-Q362 PolarHBondContact O-N 3.14Å; I359-I363 HydrophobicContact CG2-CD1 3.88Å; I359-I363 VanDerWaalsContact O-CG1 3.3Å; I359-I363 WeakPolarHBondContact O-CG1 3.38Å; I359-I363 PolarHBondContact O-N 3.36Å
360D97.8Very high96.8Very high67 Ų67113.6 Ų113.636%0.35853%0.533SS..Hα-helixtrans-62-38177.9-72.6-29.6000111.2K356 K357 I363 Q364K356-D360 VanDerWaalsContact CE-OD2 3.3Å; K356-D360 WeakPolarHBondContact CE-OD2 3.46Å; K356-D360 WeakPolarHBondContact CG-OD2 3.26Å; K356-D360 PolarHBondContact O-N 2.88Å; K357-D360 PolarHBondContact O-N 2.93Å; D360-I363 PolarHBondContact O-N 3.33Å; D360-Q364 WeakPolarHBondContact O-CG 3.48Å; D360-Q364 PolarHBondContact O-N 3.13Å
361E97Very high96.9Very high137 Ų137118 Ų11864%0.6455%0.55SS*.Hα-helixtrans-65.4-46.7174.1-176.9170-156.200112.2K357 I359 I363 Q364 E365K357-E361 VanDerWaalsContact O-CB 3.26Å; K357-E361 WeakPolarHBondContact O-CB 3.32Å; K357-E361 PolarHBondContact O-N 2.9Å; I359-E361 VanDerWaalsContact C-N 3.3Å; I359-E361 PolarHBondContact O-N 3.07Å; E361-I363 VanDerWaalsContact C-N 3.29Å; E361-I363 PolarHBondContact O-N 2.68Å; E361-Q364 PolarHBondContact O-N 2.98Å; E361-Q364 VanDerWaalsContact O-N 3.14Å; E361-E365 PolarHBondContact O-N 2.94Å
362Q97.5Very high96.9Very high125 Ų125115.7 Ų115.758%0.58455%0.545SS*.Hα-helixtrans-60.5-37.1174.1-76.4-178.85.900112.4A358 I359 Q366A358-Q362 WeakPolarHBondContact O-CG 3.28Å; A358-Q362 PolarHBondContact O-N 2.85Å; I359-Q362 PolarHBondContact O-N 3.14Å; Q362-Q366 WeakPolarHBondContact O-CB 3.3Å; Q362-Q366 WeakPolarHBondContact O-CG 3.02Å; Q362-Q366 PolarHBondContact O-N 3.38Å
363I97.3Very high96.9Very high75 Ų75117.9 Ų117.939%0.38555%0.548SS..Hα-helixtrans-66.7-40.5175.1-69.5166.7000110.8I359 D360 E361 R367I359-I363 HydrophobicContact CG2-CD1 3.88Å; I359-I363 VanDerWaalsContact O-CG1 3.3Å; I359-I363 WeakPolarHBondContact O-CG1 3.38Å; I359-I363 PolarHBondContact O-N 3.36Å; D360-I363 PolarHBondContact O-N 3.33Å; E361-I363 VanDerWaalsContact C-N 3.29Å; E361-I363 PolarHBondContact O-N 2.68Å; I363-R367 VanDerWaalsContact O-CG 3.29Å; I363-R367 WeakPolarHBondContact O-CG 3.34Å; I363-R367 PolarHBondContact O-N 2.99Å; I363-R367 VanDerWaalsContact O-N 3.11Å
364Q97.1Very high96.9Very high135 Ų135116 Ų11663%0.63155%0.545SS*.Hα-helixtrans-66.9-42.4175.6-73.2-179.643.200112.2D360 E361 R367 R368D360-Q364 WeakPolarHBondContact O-CG 3.48Å; D360-Q364 PolarHBondContact O-N 3.13Å; E361-Q364 PolarHBondContact O-N 2.98Å; E361-Q364 VanDerWaalsContact O-N 3.14Å; Q364-R367 WeakPolarHBondContact O-CB 3.36Å; Q364-R367 PolarHBondContact O-N 3.42Å; Q364-R368 PolarHBondContact O-N 2.83Å
365E96.7Very high96.8Very high107 Ų107114.8 Ų114.850%0.554%0.54SS..Hα-helixtrans-63.5-42.8175.7175.7156.2-11200112E361 R367 R368 K369E361-E365 PolarHBondContact O-N 2.94Å; E365-R367 VanDerWaalsContact C-N 3.26Å; E365-R367 PolarHBondContact O-N 3.31Å; E365-R368 PolarHBondContact O-N 3.49Å; E365-R368 IonicContact OE1-CZ 3.5Å; E365-R368 IonicContact OE1-NH2 3.15Å; E365-R368 PolarHBondContact OE1-NH2 3.33Å; E365-K369 WeakPolarHBondContact O-CB 3.43Å; E365-K369 PolarHBondContact O-N 2.97Å
366Q97.2Very high96.7Very high116 Ų116114.1 Ų114.154%0.54254%0.535SS..Hα-helixtrans-61.5-34.6174.5-75.5-171.231.300112.6Q362 K370Q362-Q366 WeakPolarHBondContact O-CB 3.3Å; Q362-Q366 WeakPolarHBondContact O-CG 3.02Å; Q362-Q366 PolarHBondContact O-N 3.38Å; Q366-K370 WeakPolarHBondContact O-CB 3.37Å; Q366-K370 VanDerWaalsContact O-CG 3.3Å; Q366-K370 WeakPolarHBondContact O-CG 3.47Å; Q366-K370 PolarHBondContact O-N 3.46Å; Q366-K370 VanDerWaalsContact O-N 3.14Å
367R96.8Very high96.7Very high173 Ų173114.1 Ų114.165%0.65354%0.537SS*.Hα-helixtrans-68-46.3173.6-71.6170.9-175.5-1582.4111.4I363 Q364 E365 K369 K370 L371I363-R367 VanDerWaalsContact O-CG 3.29Å; I363-R367 WeakPolarHBondContact O-CG 3.34Å; I363-R367 PolarHBondContact O-N 2.99Å; I363-R367 VanDerWaalsContact O-N 3.11Å; Q364-R367 WeakPolarHBondContact O-CB 3.36Å; Q364-R367 PolarHBondContact O-N 3.42Å; E365-R367 VanDerWaalsContact C-N 3.26Å; E365-R367 PolarHBondContact O-N 3.31Å; R367-K369 PolarHBondContact O-N 3.41Å; R367-K370 PolarHBondContact O-N 2.98Å; R367-L371 PolarHBondContact O-N 2.98Å
368R96.2Very high96.6Very high157 Ų157116.9 Ų116.959%0.59254%0.543SS*.Hα-helixtrans-55.6-51.2174.8178176.268.4-173.30.5111.3Q364 E365 K370 L371 E372Q364-R368 PolarHBondContact O-N 2.83Å; E365-R368 PolarHBondContact O-N 3.49Å; E365-R368 IonicContact OE1-CZ 3.5Å; E365-R368 IonicContact OE1-NH2 3.15Å; E365-R368 PolarHBondContact OE1-NH2 3.33Å; R368-K370 PolarHBondContact O-N 3.35Å; R368-L371 PolarHBondContact O-N 3.15Å; R368-E372 PolarHBondContact O-N 3.32Å; R368-E372 VanDerWaalsContact O-N 3.09Å
369K97.1Very high96.6Very high133 Ų133120.7 Ų120.758%0.57855%0.551SS**Hα-helixtrans-60.4-42.4-179.2-175.8174.8177.7178.20112.4E365 R367 L371 E372 E373E365-K369 WeakPolarHBondContact O-CB 3.43Å; E365-K369 PolarHBondContact O-N 2.97Å; R367-K369 PolarHBondContact O-N 3.41Å; K369-L371 VanDerWaalsContact C-N 3.34Å; K369-L371 PolarHBondContact O-N 3.11Å; K369-E372 PolarHBondContact O-N 2.76Å; K369-E373 VanDerWaalsContact O-CB 3.29Å; K369-E373 WeakPolarHBondContact O-CB 3.4Å; K369-E373 PolarHBondContact O-N 2.97Å
370K96.8Very high96.5Very high137 Ų137119.7 Ų119.760%0.59655%0.545SS*.Hα-helixtrans-64.2-35.1177.6-77.5174.7177.7178.40113.3Q366 R367 R368 A374Q366-K370 WeakPolarHBondContact O-CB 3.37Å; Q366-K370 VanDerWaalsContact O-CG 3.3Å; Q366-K370 WeakPolarHBondContact O-CG 3.47Å; Q366-K370 PolarHBondContact O-N 3.46Å; Q366-K370 VanDerWaalsContact O-N 3.14Å; R367-K370 PolarHBondContact O-N 2.98Å; R368-K370 PolarHBondContact O-N 3.35Å; K370-A374 WeakPolarHBondContact O-CB 3.43Å; K370-A374 PolarHBondContact O-N 2.87Å
371L95.8Very high96.3Very high132 Ų132122 Ų12269%0.69156%0.555SS**Hα-helixtrans-69.5-43174.7-69171.9000111.6R367 R368 K369 A374 E375R367-L371 PolarHBondContact O-N 2.98Å; R368-L371 PolarHBondContact O-N 3.15Å; K369-L371 VanDerWaalsContact C-N 3.34Å; K369-L371 PolarHBondContact O-N 3.11Å; L371-A374 PolarHBondContact O-N 3.1Å; L371-E375 PolarHBondContact O-N 2.9Å
372E95.9Very high96.3Very high94 Ų94120.4 Ų120.444%0.43955%0.548SS..Hα-helixtrans-64.1-39176.1-165.3-164.9162.500112.2R368 K369 E375 K376R368-E372 PolarHBondContact O-N 3.32Å; R368-E372 VanDerWaalsContact O-N 3.09Å; K369-E372 PolarHBondContact O-N 2.76Å; E372-E375 PolarHBondContact O-N 3.21Å; E372-K376 WeakPolarHBondContact O-CG 3.33Å; E372-K376 PolarHBondContact O-N 3.02Å; E372-K376 WeakPolarHBondContact OE1-CE 3.4Å; E372-K376 IonicContact OE1-NZ 3.79Å; E372-K376 PolarHBondContact OE1-NZ 3.16Å
373E95.3Very high96.3Very high119 Ų119121 Ų12156%0.55654%0.544SS*.Hα-helixtrans-65.4-45.4176.3-171.4163.5-158.700111.5K369 E375 K376 E377K369-E373 VanDerWaalsContact O-CB 3.29Å; K369-E373 WeakPolarHBondContact O-CB 3.4Å; K369-E373 PolarHBondContact O-N 2.97Å; E373-E375 VanDerWaalsContact C-N 3.33Å; E373-E375 PolarHBondContact O-N 3.3Å; E373-K376 PolarHBondContact O-N 2.74Å; E373-E377 PolarHBondContact O-N 3.41Å
374A95.9Very high96.2Very high51 Ų51121.5 Ų121.542%0.42155%0.547SS..Hα-helixtrans-64-34.1174.400000113.2K370 L371 R378K370-A374 WeakPolarHBondContact O-CB 3.43Å; K370-A374 PolarHBondContact O-N 2.87Å; L371-A374 PolarHBondContact O-N 3.1Å; A374-R378 WeakPolarHBondContact O-CB 3.38Å; A374-R378 PolarHBondContact O-N 3.4Å
375E95.3Very high96.2Very high105 Ų105118.3 Ų118.349%0.49153%0.532SS..Hα-helixtrans-69.9-38.5174.9-157.7-161133.800111.9L371 E372 E373 R378 K379L371-E375 PolarHBondContact O-N 2.9Å; E372-E375 PolarHBondContact O-N 3.21Å; E373-E375 VanDerWaalsContact C-N 3.33Å; E373-E375 PolarHBondContact O-N 3.3Å; E375-R378 PolarHBondContact O-N 3.35Å; E375-K379 WeakPolarHBondContact O-CG 3.5Å; E375-K379 PolarHBondContact O-N 3.07Å; E375-K379 VanDerWaalsContact OE1-CE 3.24Å; E375-K379 WeakPolarHBondContact OE1-CE 3.35Å; E375-K379 IonicContact OE1-NZ 3.89Å; E375-K379 PolarHBondContact OE1-NZ 3.29Å
376K96.1Very high96.2Very high119 Ų119118.9 Ų118.952%0.51753%0.53SS..Hα-helixtrans-65.3-44173.3-73.5169.8-175.3171.20111.6E372 E373 K379 E380E372-K376 WeakPolarHBondContact O-CG 3.33Å; E372-K376 PolarHBondContact O-N 3.02Å; E372-K376 WeakPolarHBondContact OE1-CE 3.4Å; E372-K376 IonicContact OE1-NZ 3.79Å; E372-K376 PolarHBondContact OE1-NZ 3.16Å; E373-K376 PolarHBondContact O-N 2.74Å; K376-K379 PolarHBondContact O-N 3.34Å; K376-E380 WeakPolarHBondContact O-CB 3.48Å; K376-E380 PolarHBondContact O-N 2.96Å
377E96Very high96.2Very high133 Ų133116.3 Ų116.362%0.62152%0.517SS*.Hα-helixtrans-59.8-45.4174.8-174.3175.9-156.900111.3E373 K379 E380 M381E373-E377 PolarHBondContact O-N 3.41Å; E377-K379 PolarHBondContact O-N 3.4Å; E377-E380 PolarHBondContact O-N 3Å; E377-M381 WeakPolarHBondContact O-CB 3.5Å; E377-M381 WeakPolarHBondContact O-CG 3.43Å; E377-M381 PolarHBondContact O-N 2.88Å
378R96.1Very high96.2Very high197 Ų197113.7 Ų113.774%0.74351%0.507SS*.Hα-helixtrans-58.1-44.6174.8-177.7-179.7175.2-171.1-1.2112.4A374 E375 E382A374-R378 WeakPolarHBondContact O-CB 3.38Å; A374-R378 PolarHBondContact O-N 3.4Å; E375-R378 PolarHBondContact O-N 3.35Å; R378-E382 PolarHBondContact O-N 3.23Å; R378-E382 VanDerWaalsContact O-N 3.11Å
379K96.9Very high96.2Very high125 Ų125111.3 Ų111.354%0.54350%0.503SS..Hα-helixtrans-66-38.3178.2-78.5167.8167.6169.90112.4E375 K376 E377 R383E375-K379 WeakPolarHBondContact O-CG 3.5Å; E375-K379 PolarHBondContact O-N 3.07Å; E375-K379 VanDerWaalsContact OE1-CE 3.24Å; E375-K379 WeakPolarHBondContact OE1-CE 3.35Å; E375-K379 IonicContact OE1-NZ 3.89Å; E375-K379 PolarHBondContact OE1-NZ 3.29Å; K376-K379 PolarHBondContact O-N 3.34Å; E377-K379 PolarHBondContact O-N 3.4Å; K379-R383 PolarHBondContact O-N 2.9Å; K379-R383 VanDerWaalsContact O-N 3.08Å
380E96.3Very high96.2Very high76 Ų76112.2 Ų112.236%0.35550%0.503SS..Hα-helixtrans-71.4-40.8177179.756.9-166.100111.9K376 E377 E382 R383 I384K376-E380 WeakPolarHBondContact O-CB 3.48Å; K376-E380 PolarHBondContact O-N 2.96Å; E377-E380 PolarHBondContact O-N 3Å; E380-E382 VanDerWaalsContact C-N 3.31Å; E380-E382 PolarHBondContact O-N 3.17Å; E380-R383 CarbonylContact O-C 3.6Å; E380-R383 WeakPolarHBondContact O-CA 3.42Å; E380-R383 WeakPolarHBondContact O-CB 3.44Å; E380-R383 PolarHBondContact O-N 3.34Å; E380-R383 IonicContact OE1-CZ 2.89Å; E380-R383 IonicContact OE1-NE 2.76Å; E380-R383 PolarHBondContact OE1-NE 3.32Å; E380-R383 IonicContact OE1-NH2 3.97Å; E380-R383 PolarHBondContact OE1-NH2 3.45Å; E380-R383 IonicContact OE2-CZ 3.52Å; E380-R383 IonicContact OE2-NE 3.77Å; E380-R383 PolarHBondContact OE2-NE 2.86Å; E380-R383 IonicContact OE2-NH2 2.72Å; E380-I384 HydrophobicContact CG-CD1 3.95Å; E380-I384 HydrophobicContact CG-CG1 4.48Å; E380-I384 WeakPolarHBondContact O-CG1 3.29Å; E380-I384 PolarHBondContact O-N 2.89Å
381M93.7Very high96.2Very high116 Ų116109 Ų10957%0.57149%0.492SS*.Hα-helixtrans-59.3-40.7172.8-76.2-64.3-67.700112.1E377 R383 I384 E385E377-M381 WeakPolarHBondContact O-CB 3.5Å; E377-M381 WeakPolarHBondContact O-CG 3.43Å; E377-M381 PolarHBondContact O-N 2.88Å; M381-R383 VanDerWaalsContact C-N 3.33Å; M381-R383 PolarHBondContact O-N 3.19Å; M381-I384 PolarHBondContact O-N 2.9Å; M381-E385 WeakPolarHBondContact O-CB 3.29Å; M381-E385 PolarHBondContact O-N 3.49Å
382E96.1Very high96.2Very high104 Ų104107.4 Ų107.449%0.48648%0.481SS..Hα-helixtrans-67-33.4174-153-154.6133.200112.3R378 E380 R386R378-E382 PolarHBondContact O-N 3.23Å; R378-E382 VanDerWaalsContact O-N 3.11Å; E380-E382 VanDerWaalsContact C-N 3.31Å; E380-E382 PolarHBondContact O-N 3.17Å; E382-R386 WeakPolarHBondContact O-CB 3.45Å; E382-R386 VanDerWaalsContact O-CG 3.32Å; E382-R386 WeakPolarHBondContact O-CG 3.47Å; E382-R386 PolarHBondContact O-N 3.49Å; E382-R386 VanDerWaalsContact O-N 3.12Å; E382-R386 IonicContact OE1-CZ 2.74Å; E382-R386 IonicContact OE1-NE 2.62Å; E382-R386 PolarHBondContact OE1-NE 3.41Å; E382-R386 IonicContact OE1-NH2 2.68Å; E382-R386 PolarHBondContact OE1-NH2 3.03Å; E382-R386 IonicContact OE2-NH2 3.03Å; E382-R386 PolarHBondContact OE2-NH2 3.36Å
383R97Very high96.3Very high138 Ų138110.7 Ų110.752%0.52149%0.49SS..Hα-helixtrans-66.4-44173.1-166.6-170.572.683.71.9111.7K379 E380 M381 R386 E387K379-R383 PolarHBondContact O-N 2.9Å; K379-R383 VanDerWaalsContact O-N 3.08Å; E380-R383 CarbonylContact O-C 3.6Å; E380-R383 WeakPolarHBondContact O-CA 3.42Å; E380-R383 WeakPolarHBondContact O-CB 3.44Å; E380-R383 PolarHBondContact O-N 3.34Å; E380-R383 IonicContact OE1-CZ 2.89Å; E380-R383 IonicContact OE1-NE 2.76Å; E380-R383 PolarHBondContact OE1-NE 3.32Å; E380-R383 IonicContact OE1-NH2 3.97Å; E380-R383 PolarHBondContact OE1-NH2 3.45Å; E380-R383 IonicContact OE2-CZ 3.52Å; E380-R383 IonicContact OE2-NE 3.77Å; E380-R383 PolarHBondContact OE2-NE 2.86Å; E380-R383 IonicContact OE2-NH2 2.72Å; M381-R383 VanDerWaalsContact C-N 3.33Å; M381-R383 PolarHBondContact O-N 3.19Å; R383-R386 PolarHBondContact O-N 3.26Å; R383-E387 PolarHBondContact O-N 3.37Å
384I96.3Very high96.4Very high84 Ų84110.5 Ų110.543%0.43148%0.484SS..Hα-helixtrans-64.7-48.1179-69.9167.1000110.4E380 M381 R386 E387 R388E380-I384 HydrophobicContact CG-CD1 3.95Å; E380-I384 HydrophobicContact CG-CG1 4.48Å; E380-I384 WeakPolarHBondContact O-CG1 3.29Å; E380-I384 PolarHBondContact O-N 2.89Å; M381-I384 PolarHBondContact O-N 2.9Å; I384-R386 VanDerWaalsContact C-N 3.33Å; I384-R386 PolarHBondContact O-N 3.47Å; I384-E387 PolarHBondContact O-N 3.14Å; I384-E387 VanDerWaalsContact O-N 3.15Å; I384-R388 WeakPolarHBondContact O-CB 3.46Å; I384-R388 PolarHBondContact O-N 2.86Å
385E97.1Very high96.4Very high69 Ų69113.7 Ų113.732%0.32249%0.491SS..Hα-helixtrans-63.3-38.4179179.255.7-158.200111.9M381 E387 R388 Q389M381-E385 WeakPolarHBondContact O-CB 3.29Å; M381-E385 PolarHBondContact O-N 3.49Å; E385-E387 VanDerWaalsContact C-N 3.33Å; E385-E387 PolarHBondContact O-N 3.18Å; E385-R388 PolarHBondContact O-N 2.83Å; E385-R388 IonicContact OE1-NH1 3.62Å; E385-R388 PolarHBondContact OE1-NH1 3Å; E385-R388 WeakPolarHBondContact OE2-CD 3.41Å; E385-R388 IonicContact OE2-CZ 3.83Å; E385-R388 IonicContact OE2-NH1 2.74Å; E385-R388 PolarHBondContact OE2-NH1 2.96Å; E385-Q389 WeakPolarHBondContact O-CG 3.3Å; E385-Q389 PolarHBondContact O-N 2.97Å; E385-Q389 WeakPolarHBondContact OE1-CG 3.4Å; E385-Q389 PolarHBondContact OE1-NE2 3.44Å
386R96.8Very high96.5Very high119 Ų119111.6 Ų111.645%0.44949%0.491SS..Hα-helixtrans-64.9-29.4174.5-76.4-169.2-103.796.7-13.2113.9E382 R383 I384 R390E382-R386 WeakPolarHBondContact O-CB 3.45Å; E382-R386 VanDerWaalsContact O-CG 3.32Å; E382-R386 WeakPolarHBondContact O-CG 3.47Å; E382-R386 PolarHBondContact O-N 3.49Å; E382-R386 VanDerWaalsContact O-N 3.12Å; E382-R386 IonicContact OE1-CZ 2.74Å; E382-R386 IonicContact OE1-NE 2.62Å; E382-R386 PolarHBondContact OE1-NE 3.41Å; E382-R386 IonicContact OE1-NH2 2.68Å; E382-R386 PolarHBondContact OE1-NH2 3.03Å; E382-R386 IonicContact OE2-NH2 3.03Å; E382-R386 PolarHBondContact OE2-NH2 3.36Å; R383-R386 PolarHBondContact O-N 3.26Å; I384-R386 VanDerWaalsContact C-N 3.33Å; I384-R386 PolarHBondContact O-N 3.47Å; R386-R390 WeakPolarHBondContact O-CD 3.3Å; R386-R390 WeakPolarHBondContact O-CG 3.34Å
387E96.2Very high96.6Very high61 Ų61110.1 Ų110.129%0.28549%0.487SS..Hα-helixtrans-84.6-32.1170.8-168.557.4-139.300112.5R383 I384 E385 Q389 R390 I391 R394R383-E387 PolarHBondContact O-N 3.37Å; I384-E387 PolarHBondContact O-N 3.14Å; I384-E387 VanDerWaalsContact O-N 3.15Å; E385-E387 VanDerWaalsContact C-N 3.33Å; E385-E387 PolarHBondContact O-N 3.18Å; E387-Q389 VanDerWaalsContact C-N 3.32Å; E387-Q389 PolarHBondContact O-N 3.3Å; E387-R390 WeakPolarHBondContact O-CB 3.42Å; E387-R390 PolarHBondContact O-N 2.91Å; E387-R390 VanDerWaalsContact O-N 3.08Å; E387-R390 WeakPolarHBondContact OE2-CD 3.4Å; E387-R390 IonicContact OE2-CZ 3.4Å; E387-R390 IonicContact OE2-NE 2.81Å; E387-R390 IonicContact OE2-NH1 3.37Å; E387-R390 PolarHBondContact OE2-NH1 3.5Å; E387-I391 HydrophobicContact CG-CD1 4.37Å; E387-I391 WeakPolarHBondContact O-CG1 3.35Å; E387-I391 PolarHBondContact O-N 3.02Å; E387-R394 IonicContact OE1-CZ 3.34Å; E387-R394 IonicContact OE1-NH1 3.35Å; E387-R394 PolarHBondContact OE1-NH1 3.07Å; E387-R394 VanDerWaalsContact OE1-NH1 3.13Å; E387-R394 IonicContact OE1-NH2 3.58Å; E387-R394 PolarHBondContact OE1-NH2 3.14Å
388R96.8Very high96.6Very high118 Ų118109.5 Ų109.545%0.44548%0.484SS..Hα-helixtrans-55.9-46.6171.1178178.2155-92.2-24.2111.1I384 E385 R390 I391 E392I384-R388 WeakPolarHBondContact O-CB 3.46Å; I384-R388 PolarHBondContact O-N 2.86Å; E385-R388 PolarHBondContact O-N 2.83Å; E385-R388 IonicContact OE1-NH1 3.62Å; E385-R388 PolarHBondContact OE1-NH1 3Å; E385-R388 WeakPolarHBondContact OE2-CD 3.41Å; E385-R388 IonicContact OE2-CZ 3.83Å; E385-R388 IonicContact OE2-NH1 2.74Å; E385-R388 PolarHBondContact OE2-NH1 2.96Å; R388-R390 VanDerWaalsContact C-N 3.27Å; R388-R390 PolarHBondContact O-N 3.15Å; R388-I391 WeakPolarHBondContact O-CB 3.46Å; R388-I391 PolarHBondContact O-N 3.48Å; R388-I391 VanDerWaalsContact O-N 3.17Å; R388-E392 IonicContact CZ-OE2 2.6Å; R388-E392 IonicContact NE-OE2 3.65Å; R388-E392 IonicContact NH2-OE2 2.74Å; R388-E392 PolarHBondContact NH2-OE2 2.93Å; R388-E392 WeakPolarHBondContact O-CB 3.29Å; R388-E392 PolarHBondContact O-N 3.43Å
389Q96.9Very high96.7Very high108 Ų108101.9 Ų101.951%0.50546%0.461SS..Hα-helixtrans-62.3-32.6176.7-70.1172.51200113E385 E387 Y393E385-Q389 WeakPolarHBondContact O-CG 3.3Å; E385-Q389 PolarHBondContact O-N 2.97Å; E385-Q389 WeakPolarHBondContact OE1-CG 3.4Å; E385-Q389 PolarHBondContact OE1-NE2 3.44Å; E387-Q389 VanDerWaalsContact C-N 3.32Å; E387-Q389 PolarHBondContact O-N 3.3Å; Q389-Y393 WeakPolarHBondContact O-CB 3.49Å; Q389-Y393 PolarHBondContact O-N 3.49Å
390R96.5Very high96.8Very high152 Ų152102.7 Ų102.757%0.57447%0.465SS*.Hα-helixtrans-72.9-37174.1-70165168.4-176.6-1.7112.5R386 E387 R388 R394R386-R390 WeakPolarHBondContact O-CD 3.3Å; R386-R390 WeakPolarHBondContact O-CG 3.34Å; E387-R390 WeakPolarHBondContact O-CB 3.42Å; E387-R390 PolarHBondContact O-N 2.91Å; E387-R390 VanDerWaalsContact O-N 3.08Å; E387-R390 WeakPolarHBondContact OE2-CD 3.4Å; E387-R390 IonicContact OE2-CZ 3.4Å; E387-R390 IonicContact OE2-NE 2.81Å; E387-R390 IonicContact OE2-NH1 3.37Å; E387-R390 PolarHBondContact OE2-NH1 3.5Å; R388-R390 VanDerWaalsContact C-N 3.27Å; R388-R390 PolarHBondContact O-N 3.15Å; R390-R394 WeakPolarHBondContact O-CG 3.39Å; R390-R394 PolarHBondContact O-N 3.38Å; R390-R394 VanDerWaalsContact O-N 3.17Å; R390-R394 PolarHBondContact O-NE 2.87Å
391I96.7Very high96.8Very high69 Ų69104.8 Ų104.835%0.35448%0.476SS..Hα-helixtrans-62.1-52.4171.4-66.8161000109.2E387 R388 Y393 R394 E395E387-I391 HydrophobicContact CG-CD1 4.37Å; E387-I391 WeakPolarHBondContact O-CG1 3.35Å; E387-I391 PolarHBondContact O-N 3.02Å; R388-I391 WeakPolarHBondContact O-CB 3.46Å; R388-I391 PolarHBondContact O-N 3.48Å; R388-I391 VanDerWaalsContact O-N 3.17Å; I391-Y393 VanDerWaalsContact C-N 3.31Å; I391-Y393 PolarHBondContact O-N 2.96Å; I391-R394 WeakPolarHBondContact O-CA 3.35Å; I391-R394 WeakPolarHBondContact O-CB 3.17Å; I391-R394 PolarHBondContact O-N 2.6Å; I391-E395 HydrophobicContact CG2-CG 4.16Å; I391-E395 VanDerWaalsContact CG2-OE1 3.28Å; I391-E395 WeakPolarHBondContact CG2-OE1 3.28Å; I391-E395 WeakPolarHBondContact O-CG 3.37Å; I391-E395 PolarHBondContact O-N 3.02Å
392E97Very high97Very high99 Ų99104.2 Ų104.246%0.46347%0.472SS..Hα-helixtrans-59-38.5-178.9-171165.9171.100112.3R388 A396R388-E392 IonicContact CZ-OE2 2.6Å; R388-E392 IonicContact NE-OE2 3.65Å; R388-E392 IonicContact NH2-OE2 2.74Å; R388-E392 PolarHBondContact NH2-OE2 2.93Å; R388-E392 WeakPolarHBondContact O-CB 3.29Å; R388-E392 PolarHBondContact O-N 3.43Å; E392-A396 VanDerWaalsContact O-CB 3.23Å; E392-A396 WeakPolarHBondContact O-CB 3.32Å; E392-A396 PolarHBondContact O-N 2.97Å
393Y97.4Very high97Very high162 Ų162107.8 Ų107.864%0.63548%0.481SS*.Hα-helixtrans-65.6-40.5172.7-176.3-94.4000113.4Q389 I391 M397Q389-Y393 WeakPolarHBondContact O-CB 3.49Å; Q389-Y393 PolarHBondContact O-N 3.49Å; I391-Y393 VanDerWaalsContact C-N 3.31Å; I391-Y393 PolarHBondContact O-N 2.96Å; Y393-M397 HydrophobicContact CE1-CG 4.19Å; Y393-M397 WeakPolarHBondContact O-CG 3.49Å; Y393-M397 PolarHBondContact O-N 3.41Å; Y393-M397 VanDerWaalsContact O-N 3.16Å
394R97.3Very high97.1Very high115 Ų115103.9 Ų103.943%0.43448%0.475SS..Hα-helixtrans-64.7-49.5175.3-71.6-178.3-63.1-110.56.3110.7E387 R390 I391 A396 M397 E398E387-R394 IonicContact OE1-CZ 3.34Å; E387-R394 IonicContact OE1-NH1 3.35Å; E387-R394 PolarHBondContact OE1-NH1 3.07Å; E387-R394 VanDerWaalsContact OE1-NH1 3.13Å; E387-R394 IonicContact OE1-NH2 3.58Å; E387-R394 PolarHBondContact OE1-NH2 3.14Å; R390-R394 WeakPolarHBondContact O-CG 3.39Å; R390-R394 PolarHBondContact O-N 3.38Å; R390-R394 VanDerWaalsContact O-N 3.17Å; R390-R394 PolarHBondContact O-NE 2.87Å; I391-R394 WeakPolarHBondContact O-CA 3.35Å; I391-R394 WeakPolarHBondContact O-CB 3.17Å; I391-R394 PolarHBondContact O-N 2.6Å; R394-A396 VanDerWaalsContact C-N 3.33Å; R394-A396 PolarHBondContact O-N 3.41Å; R394-M397 PolarHBondContact O-N 3.09Å; R394-M397 VanDerWaalsContact O-N 3.15Å; R394-E398 WeakPolarHBondContact O-CG 3.33Å; R394-E398 PolarHBondContact O-N 2.9Å
395E96.7Very high97.2Very high119 Ų119106.9 Ų106.956%0.55649%0.485SS*.Hα-helixtrans-61.4-37.6178.3-69.9179.9178.400112.5I391 E398 S399I391-E395 HydrophobicContact CG2-CG 4.16Å; I391-E395 VanDerWaalsContact CG2-OE1 3.28Å; I391-E395 WeakPolarHBondContact CG2-OE1 3.28Å; I391-E395 WeakPolarHBondContact O-CG 3.37Å; I391-E395 PolarHBondContact O-N 3.02Å; E395-E398 PolarHBondContact O-N 3.48Å; E395-S399 VanDerWaalsContact O-CB 3.25Å; E395-S399 WeakPolarHBondContact O-CB 3.31Å; E395-S399 PolarHBondContact O-N 2.93Å
396A97.7Very high97.2Very high61 Ų61111.3 Ų111.350%0.50450%0.499SS..Hα-helixtrans-64.6-40.5174.500000112.5E392 R394 K400E392-A396 VanDerWaalsContact O-CB 3.23Å; E392-A396 WeakPolarHBondContact O-CB 3.32Å; E392-A396 PolarHBondContact O-N 2.97Å; R394-A396 VanDerWaalsContact C-N 3.33Å; R394-A396 PolarHBondContact O-N 3.41Å; A396-K400 WeakPolarHBondContact O-CB 3.22Å; A396-K400 PolarHBondContact O-N 2.95Å
397M96.9Very high97.3Very high87 Ų87111.7 Ų111.743%0.42950%0.503SS..Hα-helixtrans-68.5-42.6175.4-77.3-66.9-70.400112Y393 R394 K400 M401Y393-M397 HydrophobicContact CE1-CG 4.19Å; Y393-M397 WeakPolarHBondContact O-CG 3.49Å; Y393-M397 PolarHBondContact O-N 3.41Å; Y393-M397 VanDerWaalsContact O-N 3.16Å; R394-M397 PolarHBondContact O-N 3.09Å; R394-M397 VanDerWaalsContact O-N 3.15Å; M397-K400 WeakPolarHBondContact O-CB 3.5Å; M397-K400 PolarHBondContact O-N 3.22Å; M397-M401 WeakPolarHBondContact O-CG 3.45Å; M397-M401 PolarHBondContact O-N 3.42Å
398E97.4Very high97.3Very high120 Ų120117.2 Ų117.256%0.56152%0.522SS*.Hα-helixtrans-64.5-45.5175.6-72.4175.6-16500111.6R394 E395 K400 M401 E402R394-E398 WeakPolarHBondContact O-CG 3.33Å; R394-E398 PolarHBondContact O-N 2.9Å; E395-E398 PolarHBondContact O-N 3.48Å; E398-K400 VanDerWaalsContact C-N 3.28Å; E398-K400 PolarHBondContact O-N 3.33Å; E398-M401 HydrophobicContact CG-CE 4.09Å; E398-M401 PolarHBondContact O-N 2.89Å; E398-M401 VanDerWaalsContact O-N 3.13Å; E398-E402 WeakPolarHBondContact O-CB 3.37Å; E398-E402 PolarHBondContact O-N 3.3Å
399S97.7Very high97.4Very high38 Ų38116.6 Ų116.627%0.26653%0.525SS..Hα-helixtrans-60.6-35.3174.2-168.60000112.2E395 E402 R403E395-S399 VanDerWaalsContact O-CB 3.25Å; E395-S399 WeakPolarHBondContact O-CB 3.31Å; E395-S399 PolarHBondContact O-N 2.93Å; S399-E402 PolarHBondContact O-N 2.88Å; S399-R403 WeakPolarHBondContact O-CB 3.31Å; S399-R403 WeakPolarHBondContact O-CG 3.36Å; S399-R403 PolarHBondContact O-N 3.34Å; S399-R403 PolarHBondContact OG-NE 3.5Å; S399-R403 VanDerWaalsContact OG-NE 3.14Å; S399-R403 PolarHBondContact OG-NH2 3.22Å
400K98Very high97.4Very high141 Ų141117.6 Ų117.661%0.61353%0.53SS*.Hα-helixtrans-67.3-40.6174.7-174.9179.9179.3-1790112.2A396 M397 E398 S404A396-K400 WeakPolarHBondContact O-CB 3.22Å; A396-K400 PolarHBondContact O-N 2.95Å; M397-K400 WeakPolarHBondContact O-CB 3.5Å; M397-K400 PolarHBondContact O-N 3.22Å; E398-K400 VanDerWaalsContact C-N 3.28Å; E398-K400 PolarHBondContact O-N 3.33Å; K400-S404 WeakPolarHBondContact O-CB 3.35Å; K400-S404 PolarHBondContact O-N 3.43Å; K400-S404 PolarHBondContact O-OG 2.73Å
401M97.3Very high97.5Very high121 Ų121113.5 Ų113.560%0.59652%0.52SS*.Hα-helixtrans-66.7-43.5173.7-69.2-170.1-66.100111.5M397 E398 S404 K405M397-M401 WeakPolarHBondContact O-CG 3.45Å; M397-M401 PolarHBondContact O-N 3.42Å; E398-M401 HydrophobicContact CG-CE 4.09Å; E398-M401 PolarHBondContact O-N 2.89Å; E398-M401 VanDerWaalsContact O-N 3.13Å; M401-S404 WeakPolarHBondContact O-CB 3.35Å; M401-S404 PolarHBondContact O-N 3.43Å; M401-K405 PolarHBondContact O-N 2.97Å
402E97.5Very high97.6Very high104 Ų104115.2 Ų115.249%0.48653%0.529SS..Hα-helixtrans-63.8-47.8178.3173.3162.3-140.500111.9E398 S399 S404 K405 W406E398-E402 WeakPolarHBondContact O-CB 3.37Å; E398-E402 PolarHBondContact O-N 3.3Å; S399-E402 PolarHBondContact O-N 2.88Å; E402-S404 PolarHBondContact O-N 3.06Å; E402-K405 WeakPolarHBondContact O-CA 3.43Å; E402-K405 WeakPolarHBondContact O-CB 3.49Å; E402-K405 PolarHBondContact O-N 3.43Å; E402-W406 VanDerWaalsContact O-CD1 3.25Å; E402-W406 PolarHBondContact O-N 3.44Å; E402-W406 PolarHBondContact OE1-NE1 2.94Å
403R97Very high97.6Very high178 Ų178116.5 Ų116.567%0.67254%0.535SS*.Hα-helixtrans-56.2-38.2173.5-71.8171.1-153-154.75111.8S399 K407S399-R403 WeakPolarHBondContact O-CB 3.31Å; S399-R403 WeakPolarHBondContact O-CG 3.36Å; S399-R403 PolarHBondContact O-N 3.34Å; S399-R403 PolarHBondContact OG-NE 3.5Å; S399-R403 VanDerWaalsContact OG-NE 3.14Å; S399-R403 PolarHBondContact OG-NH2 3.22Å; R403-K407 WeakPolarHBondContact O-CB 3.4Å; R403-K407 PolarHBondContact O-N 3.41Å
404S97.3Very high97.6Very high56 Ų56113.6 Ų113.639%0.39253%0.527SS..Hα-helixtrans-69.6-32.9176.7-570000112.5K400 M401 E402 R408K400-S404 WeakPolarHBondContact O-CB 3.35Å; K400-S404 PolarHBondContact O-N 3.43Å; K400-S404 PolarHBondContact O-OG 2.73Å; M401-S404 WeakPolarHBondContact O-CB 3.35Å; M401-S404 PolarHBondContact O-N 3.43Å; E402-S404 PolarHBondContact O-N 3.06Å; S404-R408 WeakPolarHBondContact O-CG 3.3Å; S404-R408 PolarHBondContact O-N 3Å
405K98.3Very high97.6Very high147 Ų147114.1 Ų114.164%0.63954%0.536SS*.Hα-helixtrans-69.8-48.1172.8-176.9-173.1176.1-171.60111.4M401 E402 K407 R408 M409M401-K405 PolarHBondContact O-N 2.97Å; E402-K405 WeakPolarHBondContact O-CA 3.43Å; E402-K405 WeakPolarHBondContact O-CB 3.49Å; E402-K405 PolarHBondContact O-N 3.43Å; K405-K407 PolarHBondContact O-N 2.87Å; K405-R408 PolarHBondContact O-N 2.89Å; K405-M409 WeakPolarHBondContact O-CG 3.37Å; K405-M409 PolarHBondContact O-N 3.21Å
406W97.8Very high97.7Very high163 Ų163117.4 Ų117.462%0.61754%0.543SS*.Hα-helixtrans-61.2-42.4176.2-76.6110.3000111.9E402 R408 M409 Q410E402-W406 VanDerWaalsContact O-CD1 3.25Å; E402-W406 PolarHBondContact O-N 3.44Å; E402-W406 PolarHBondContact OE1-NE1 2.94Å; W406-R408 PolarHBondContact O-N 2.83Å; W406-M409 WeakPolarHBondContact O-CB 3.34Å; W406-M409 PolarHBondContact O-N 3.45Å; W406-Q410 PolarHBondContact O-N 3.38Å
407K98.3Very high97.7Very high126 Ų126120 Ų12055%0.54855%0.545SS..Hα-helixtrans-58.5-48.9173.7-180169.1178.8176.90111.7R403 K405 M409 Q410 D411R403-K407 WeakPolarHBondContact O-CB 3.4Å; R403-K407 PolarHBondContact O-N 3.41Å; K405-K407 PolarHBondContact O-N 2.87Å; K407-M409 VanDerWaalsContact C-N 3.26Å; K407-M409 PolarHBondContact O-N 3.21Å; K407-Q410 CarbonylContact O-C 3.59Å; K407-Q410 WeakPolarHBondContact O-CB 3.34Å; K407-Q410 PolarHBondContact O-N 3.29Å; K407-Q410 VanDerWaalsContact O-N 3.07Å; K407-D411 WeakPolarHBondContact CE-OD1 3.34Å; K407-D411 WeakPolarHBondContact CE-OD2 3.42Å; K407-D411 WeakPolarHBondContact CG-OD2 3.43Å; K407-D411 PolarHBondContact O-N 3.22Å
408R97.7Very high97.8Very high177 Ų177119.5 Ų119.567%0.66854%0.544SS*.Hα-helixtrans-59.5-35.4176.9-72.8173.8-173.6170.52.2113.2S404 K405 W406 L412S404-R408 WeakPolarHBondContact O-CG 3.3Å; S404-R408 PolarHBondContact O-N 3Å; K405-R408 PolarHBondContact O-N 2.89Å; W406-R408 PolarHBondContact O-N 2.83Å; R408-L412 WeakPolarHBondContact O-CB 3.47Å; R408-L412 VanDerWaalsContact O-CG 3.26Å; R408-L412 WeakPolarHBondContact O-CG 3.24Å; R408-L412 PolarHBondContact O-N 2.96Å
409M97.4Very high97.8Very high106 Ų106116.4 Ų116.452%0.52254%0.539SS..Hα-helixtrans-65.6-43.4174-72.1-59.4-53.100111.5K405 W406 K407 L412 E413K405-M409 WeakPolarHBondContact O-CG 3.37Å; K405-M409 PolarHBondContact O-N 3.21Å; W406-M409 WeakPolarHBondContact O-CB 3.34Å; W406-M409 PolarHBondContact O-N 3.45Å; K407-M409 VanDerWaalsContact C-N 3.26Å; K407-M409 PolarHBondContact O-N 3.21Å; M409-L412 PolarHBondContact O-N 3.19Å; M409-E413 WeakPolarHBondContact O-CB 3.41Å; M409-E413 PolarHBondContact O-N 3.23Å
410Q98.1Very high97.8Very high128 Ų128119.9 Ų119.960%0.59855%0.553SS**Hα-helixtrans-65.8-43176.3-172.7177.711.100112.2W406 K407 L412 E413 Q414W406-Q410 PolarHBondContact O-N 3.38Å; K407-Q410 CarbonylContact O-C 3.59Å; K407-Q410 WeakPolarHBondContact O-CB 3.34Å; K407-Q410 PolarHBondContact O-N 3.29Å; K407-Q410 VanDerWaalsContact O-N 3.07Å; Q410-L412 VanDerWaalsContact C-N 3.28Å; Q410-L412 PolarHBondContact O-N 3.11Å; Q410-E413 PolarHBondContact O-N 2.95Å; Q410-Q414 WeakPolarHBondContact O-CB 3.49Å; Q410-Q414 PolarHBondContact O-N 2.74Å
411D98.3Very high97.8Very high67 Ų67118.2 Ų118.236%0.35855%0.55SS.*Hα-helixtrans-59.9-39.7175.3-60.3-28.8000110.4K407 M415K407-D411 WeakPolarHBondContact CE-OD1 3.34Å; K407-D411 WeakPolarHBondContact CE-OD2 3.42Å; K407-D411 WeakPolarHBondContact CG-OD2 3.43Å; K407-D411 PolarHBondContact O-N 3.22Å; D411-M415 WeakPolarHBondContact O-CB 3.3Å; D411-M415 VanDerWaalsContact O-CG 3.27Å; D411-M415 WeakPolarHBondContact O-CG 3.31Å; D411-M415 PolarHBondContact O-N 3.23Å
412L97.9Very high97.9Very high104 Ų104119.4 Ų119.455%0.54555%0.554SS.*Hα-helixtrans-72-33.8175.5-76.3170.2000113.7R408 M409 Q410 R416R408-L412 WeakPolarHBondContact O-CB 3.47Å; R408-L412 VanDerWaalsContact O-CG 3.26Å; R408-L412 WeakPolarHBondContact O-CG 3.24Å; R408-L412 PolarHBondContact O-N 2.96Å; M409-L412 PolarHBondContact O-N 3.19Å; Q410-L412 VanDerWaalsContact C-N 3.28Å; Q410-L412 PolarHBondContact O-N 3.11Å; L412-R416 WeakPolarHBondContact O-CG 3.27Å; L412-R416 PolarHBondContact O-N 3.17Å
413E97.5Very high97.9Very high126 Ų126117.9 Ų117.959%0.58956%0.556SS**Hα-helixtrans-68.1-47.4175-171158.3-124.700110.2M409 Q410 M415 R416 E417M409-E413 WeakPolarHBondContact O-CB 3.41Å; M409-E413 PolarHBondContact O-N 3.23Å; Q410-E413 PolarHBondContact O-N 2.95Å; E413-M415 VanDerWaalsContact C-N 3.32Å; E413-M415 PolarHBondContact O-N 3.49Å; E413-R416 WeakPolarHBondContact O-CA 3.21Å; E413-R416 WeakPolarHBondContact O-CB 3.46Å; E413-R416 PolarHBondContact O-N 3.35Å; E413-E417 PolarHBondContact O-N 3.39Å
414Q98Very high98Very high102 Ų102117.3 Ų117.348%0.47755%0.554SS.*Hα-helixtrans-60.7-38.3174.2-170.3178.18.100112.4Q410 R416 E417 N418Q410-Q414 WeakPolarHBondContact O-CB 3.49Å; Q410-Q414 PolarHBondContact O-N 2.74Å; Q414-R416 VanDerWaalsContact C-N 3.28Å; Q414-R416 PolarHBondContact O-N 2.83Å; Q414-E417 PolarHBondContact O-N 3.32Å; Q414-N418 WeakPolarHBondContact O-CB 3.44Å; Q414-N418 PolarHBondContact O-N 2.99Å; Q414-N418 PolarHBondContact O-ND2 3.48Å
415M97.8Very high98Very high126 Ų126119.2 Ų119.262%0.62156%0.556SS**Hα-helixtrans-62.6-32.9173.2-78.7-64.9-61.700113D411 E413 A419D411-M415 WeakPolarHBondContact O-CB 3.3Å; D411-M415 VanDerWaalsContact O-CG 3.27Å; D411-M415 WeakPolarHBondContact O-CG 3.31Å; D411-M415 PolarHBondContact O-N 3.23Å; E413-M415 VanDerWaalsContact C-N 3.32Å; E413-M415 PolarHBondContact O-N 3.49Å; M415-A419 WeakPolarHBondContact O-CB 3.32Å; M415-A419 PolarHBondContact O-N 3.09Å; M415-A419 VanDerWaalsContact O-N 3.13Å
416R98Very high98Very high187 Ų187118.3 Ų118.371%0.70655%0.552SS**Hα-helixtrans-73.6-42.8174.3-70.2167172.9-169.1-4.2111.7L412 E413 Q414 A419 I420L412-R416 WeakPolarHBondContact O-CG 3.27Å; L412-R416 PolarHBondContact O-N 3.17Å; E413-R416 WeakPolarHBondContact O-CA 3.21Å; E413-R416 WeakPolarHBondContact O-CB 3.46Å; E413-R416 PolarHBondContact O-N 3.35Å; Q414-R416 VanDerWaalsContact C-N 3.28Å; Q414-R416 PolarHBondContact O-N 2.83Å; R416-A419 PolarHBondContact O-N 3.42Å; R416-I420 VanDerWaalsContact O-CG1 3.28Å; R416-I420 WeakPolarHBondContact O-CG1 3.37Å; R416-I420 PolarHBondContact O-N 3.11Å
417E97.8Very high98Very high117 Ų117113.2 Ų113.255%0.54755%0.545SS..Hα-helixtrans-59.7-46.6175-68.2-176.7149.700111.3E413 Q414 A419 I420 L421E413-E417 PolarHBondContact O-N 3.39Å; Q414-E417 PolarHBondContact O-N 3.32Å; E417-A419 PolarHBondContact O-N 3.49Å; E417-I420 PolarHBondContact O-N 3.39Å; E417-L421 WeakPolarHBondContact O-CG 3.37Å; E417-L421 PolarHBondContact O-N 2.74Å
418N98.4Very high98.1Very high76 Ų76112.4 Ų112.441%0.40654%0.542SS..Hα-helixtrans-58.7-47175.5-71.3-14.6000112Q414 I420 L421 E422Q414-N418 WeakPolarHBondContact O-CB 3.44Å; Q414-N418 PolarHBondContact O-N 2.99Å; Q414-N418 PolarHBondContact O-ND2 3.48Å; N418-I420 VanDerWaalsContact C-N 3.31Å; N418-I420 PolarHBondContact O-N 2.88Å; N418-L421 PolarHBondContact O-N 3.26Å; N418-E422 WeakPolarHBondContact O-CB 3.41Å; N418-E422 PolarHBondContact O-N 2.91Å
419A98.2Very high98.1Very high54 Ų54110 Ų11045%0.44654%0.538SS..Hα-helixtrans-64.8-33.7178.700000112.8M415 R416 E417 S423M415-A419 WeakPolarHBondContact O-CB 3.32Å; M415-A419 PolarHBondContact O-N 3.09Å; M415-A419 VanDerWaalsContact O-N 3.13Å; R416-A419 PolarHBondContact O-N 3.42Å; E417-A419 PolarHBondContact O-N 3.49Å; A419-S423 WeakPolarHBondContact O-CB 3.42Å; A419-S423 PolarHBondContact O-N 2.59Å; A419-S423 PolarHBondContact O-OG 3.5Å
420I98.3Very high98.1Very high112 Ų112108.4 Ų108.457%0.57453%0.532SS*.Hα-helixtrans-66.2-46.6172.7-70.4164.5000110.2R416 E417 N418 S423 W424R416-I420 VanDerWaalsContact O-CG1 3.28Å; R416-I420 WeakPolarHBondContact O-CG1 3.37Å; R416-I420 PolarHBondContact O-N 3.11Å; E417-I420 PolarHBondContact O-N 3.39Å; N418-I420 VanDerWaalsContact C-N 3.31Å; N418-I420 PolarHBondContact O-N 2.88Å; I420-S423 PolarHBondContact O-N 3.04Å; I420-S423 PolarHBondContact O-OG 2.84Å; I420-W424 WeakPolarHBondContact O-CB 3.48Å; I420-W424 PolarHBondContact O-N 3.42Å
421L98Very high98.1Very high105 Ų105104.9 Ų104.955%0.5552%0.524SS..Hα-helixtrans-61.5-45.6177.6-70.4170.2000112.2E417 N418 S423 W424 E425E417-L421 WeakPolarHBondContact O-CG 3.37Å; E417-L421 PolarHBondContact O-N 2.74Å; N418-L421 PolarHBondContact O-N 3.26Å; L421-S423 PolarHBondContact O-N 3.47Å; L421-W424 PolarHBondContact O-N 2.87Å; L421-E425 WeakPolarHBondContact O-CB 3.29Å; L421-E425 PolarHBondContact O-N 2.67Å
422E98.3Very high98.1Very high146 Ų146104.5 Ų104.568%0.68253%0.53SS*.Hα-helixtrans-59.5-44.9175-174.7-176.7176.400111.4N418 W424 E425 K426N418-E422 WeakPolarHBondContact O-CB 3.41Å; N418-E422 PolarHBondContact O-N 2.91Å; E422-W424 VanDerWaalsContact C-N 3.3Å; E422-W424 PolarHBondContact O-N 3.41Å; E422-E425 PolarHBondContact O-N 3.26Å; E422-K426 WeakPolarHBondContact O-CB 3.42Å; E422-K426 PolarHBondContact O-N 3.25Å
423S97.8Very high98.1Very high73 Ų73104.8 Ų104.851%0.5153%0.532SS..Hα-helixtrans-64.8-33176.9770000113.2A419 I420 L421 A427A419-S423 WeakPolarHBondContact O-CB 3.42Å; A419-S423 PolarHBondContact O-N 2.59Å; A419-S423 PolarHBondContact O-OG 3.5Å; I420-S423 PolarHBondContact O-N 3.04Å; I420-S423 PolarHBondContact O-OG 2.84Å; L421-S423 PolarHBondContact O-N 3.47Å; S423-A427 VanDerWaalsContact O-CB 3.29Å; S423-A427 WeakPolarHBondContact O-CB 3.39Å; S423-A427 PolarHBondContact O-N 2.71Å
424W98.4Very high98Very high166 Ų166103.9 Ų103.963%0.62953%0.529SS*.Hα-helixtrans-75.7-40.9177.9178.382.2000112.2I420 L421 E422 A427 K428I420-W424 WeakPolarHBondContact O-CB 3.48Å; I420-W424 PolarHBondContact O-N 3.42Å; L421-W424 PolarHBondContact O-N 2.87Å; E422-W424 VanDerWaalsContact C-N 3.3Å; E422-W424 PolarHBondContact O-N 3.41Å; W424-A427 PolarHBondContact O-N 3.24Å; W424-K428 HydrophobicContact CH2-CD 4.43Å; W424-K428 HydrophobicContact CZ3-CD 4.41Å; W424-K428 WeakPolarHBondContact O-CB 3.49Å; W424-K428 PolarHBondContact O-N 3.46Å
425E98.2Very high98Very high95 Ų95105.8 Ų105.844%0.44454%0.536SS..Hα-helixtrans-62.9-47.5173.4-175.4124.7-107.100110.7L421 E422 A427 K428 E429L421-E425 WeakPolarHBondContact O-CB 3.29Å; L421-E425 PolarHBondContact O-N 2.67Å; E422-E425 PolarHBondContact O-N 3.26Å; E425-A427 PolarHBondContact O-N 2.98Å; E425-K428 WeakPolarHBondContact O-CA 3.38Å; E425-K428 WeakPolarHBondContact O-CB 3.35Å; E425-K428 PolarHBondContact O-N 3.41Å; E425-K428 VanDerWaalsContact O-N 3.11Å; E425-K428 IonicContact OE1-NZ 3.45Å; E425-K428 PolarHBondContact OE1-NZ 2.75Å; E425-E429 PolarHBondContact O-N 2.94Å
426K98.5Very high97.9Very high128 Ų128104 Ų10456%0.55753%0.526SS*.Hα-helixtrans-58.7-45.2174.4-177.8173.6179.6175.10112.6E422 K428 E429 D430E422-K426 WeakPolarHBondContact O-CB 3.42Å; E422-K426 PolarHBondContact O-N 3.25Å; K426-K428 PolarHBondContact O-N 2.86Å; K426-E429 PolarHBondContact O-N 3.07Å; K426-E429 VanDerWaalsContact O-N 3.13Å; K426-D430 PolarHBondContact O-N 2.91Å
427A98.2Very high97.8Very high57 Ų5797.5 Ų97.547%0.47151%0.511SS..Hα-helixtrans-62.6-31177.400000112.9S423 W424 E425 A431S423-A427 VanDerWaalsContact O-CB 3.29Å; S423-A427 WeakPolarHBondContact O-CB 3.39Å; S423-A427 PolarHBondContact O-N 2.71Å; W424-A427 PolarHBondContact O-N 3.24Å; E425-A427 PolarHBondContact O-N 2.98Å; A427-A431 VanDerWaalsContact O-CB 3.25Å; A427-A431 WeakPolarHBondContact O-CB 3.4Å; A427-A431 PolarHBondContact O-N 3.47Å
428K98.4Very high97.7Very high109 Ų109100 Ų10047%0.47452%0.516SS..Hα-helixtrans-72.2-38.1173.4163-166.7161.1-146.60111.7W424 E425 K426 A432W424-K428 HydrophobicContact CH2-CD 4.43Å; W424-K428 HydrophobicContact CZ3-CD 4.41Å; W424-K428 WeakPolarHBondContact O-CB 3.49Å; W424-K428 PolarHBondContact O-N 3.46Å; E425-K428 WeakPolarHBondContact O-CA 3.38Å; E425-K428 WeakPolarHBondContact O-CB 3.35Å; E425-K428 PolarHBondContact O-N 3.41Å; E425-K428 VanDerWaalsContact O-N 3.11Å; E425-K428 IonicContact OE1-NZ 3.45Å; E425-K428 PolarHBondContact OE1-NZ 2.75Å; K426-K428 PolarHBondContact O-N 2.86Å; K428-A432 WeakPolarHBondContact O-CB 3.47Å; K428-A432 PolarHBondContact O-N 3.46Å
429E98.1Very high97.5Very high126 Ų126101.3 Ų101.359%0.58952%0.522SS*.Hα-helixtrans-66-49171.5-68.5-173.7151.500112.1E425 K426 A431 A432 L433E425-E429 PolarHBondContact O-N 2.94Å; K426-E429 PolarHBondContact O-N 3.07Å; K426-E429 VanDerWaalsContact O-N 3.13Å; E429-A431 VanDerWaalsContact C-N 3.28Å; E429-A431 PolarHBondContact O-N 3.05Å; E429-A432 WeakPolarHBondContact O-CB 3.2Å; E429-A432 PolarHBondContact O-N 3Å; E429-L433 WeakPolarHBondContact O-CB 3.34Å; E429-L433 PolarHBondContact O-N 3.06Å
430D98.2Very high97.2Very high73 Ų73106.8 Ų106.839%0.3953%0.531SS..Hα-helixtrans-58.2-39.7176.5-77.1-34000111.4K426 L433 M434K426-D430 PolarHBondContact O-N 2.91Å; D430-L433 PolarHBondContact O-N 3.29Å; D430-M434 HydrophobicContact CB-CE 4.48Å; D430-M434 WeakPolarHBondContact O-CB 3.48Å; D430-M434 WeakPolarHBondContact O-CG 3.48Å; D430-M434 PolarHBondContact O-N 2.97Å
431A98Very high96.9Very high54 Ų54108.7 Ų108.745%0.44654%0.536SS..Hα-helixtrans-66.6-38.5174.200000112.9A427 E429 K435A427-A431 VanDerWaalsContact O-CB 3.25Å; A427-A431 WeakPolarHBondContact O-CB 3.4Å; A427-A431 PolarHBondContact O-N 3.47Å; E429-A431 VanDerWaalsContact C-N 3.28Å; E429-A431 PolarHBondContact O-N 3.05Å; A431-K435 WeakPolarHBondContact O-CB 3.33Å; A431-K435 PolarHBondContact O-N 2.87Å
432A97.9Very high96.4Very high59 Ų59109.8 Ų109.849%0.48854%0.538SS..Hα-helixtrans-67.5-41.9174.800000111.7K428 E429 K435 H436K428-A432 WeakPolarHBondContact O-CB 3.47Å; K428-A432 PolarHBondContact O-N 3.46Å; E429-A432 WeakPolarHBondContact O-CB 3.2Å; E429-A432 PolarHBondContact O-N 3Å; A432-K435 WeakPolarHBondContact O-CB 3.49Å; A432-K435 PolarHBondContact O-N 3.23Å; A432-H436 WeakPolarHBondContact O-CB 3.46Å; A432-H436 PolarHBondContact O-N 2.95Å
433L97.4Very high95.9Very high109 Ų109105.4 Ų105.457%0.57153%0.527SS*.Hα-helixtrans-62.3-45.6175.2-176.662.5000111.3E429 D430 K435 H436 A437E429-L433 WeakPolarHBondContact O-CB 3.34Å; E429-L433 PolarHBondContact O-N 3.06Å; D430-L433 PolarHBondContact O-N 3.29Å; L433-K435 PolarHBondContact O-N 2.93Å; L433-H436 PolarHBondContact O-N 3.39Å; L433-A437 WeakPolarHBondContact O-CB 3.12Å; L433-A437 PolarHBondContact O-N 3.28Å
434M97Very high95.2Very high108 Ų108105.4 Ų105.453%0.53253%0.527SS..Hα-helixtrans-62.4-38.5173.6-81.2-169.2-93.500112.8D430 A437 R438D430-M434 HydrophobicContact CB-CE 4.48Å; D430-M434 WeakPolarHBondContact O-CB 3.48Å; D430-M434 WeakPolarHBondContact O-CG 3.48Å; D430-M434 PolarHBondContact O-N 2.97Å; M434-A437 PolarHBondContact O-N 3.46Å; M434-R438 WeakPolarHBondContact O-CG 3.48Å; M434-R438 PolarHBondContact O-N 3.09Å
435K97.1Very high94.1Very high142 Ų142102.8 Ų102.862%0.61752%0.524SS*.Hα-helixtrans-62.9-45.8174.1-176.3-177176.3-173.70111.3A431 A432 L433 R438 L439A431-K435 WeakPolarHBondContact O-CB 3.33Å; A431-K435 PolarHBondContact O-N 2.87Å; A432-K435 WeakPolarHBondContact O-CB 3.49Å; A432-K435 PolarHBondContact O-N 3.23Å; L433-K435 PolarHBondContact O-N 2.93Å; K435-R438 PolarHBondContact O-N 3.35Å; K435-L439 HydrophobicContact CG-CD1 4.33Å; K435-L439 WeakPolarHBondContact O-CG 3.32Å; K435-L439 PolarHBondContact O-N 3.08Å
436H96.6Very high92.7Very high89 Ų89101.6 Ų101.641%0.41253%0.527SS..Hα-helixtrans-64.2-40.3177.1176.5-133.9000112.2A432 L433 R438 L439 R440A432-H436 WeakPolarHBondContact O-CB 3.46Å; A432-H436 PolarHBondContact O-N 2.95Å; L433-H436 PolarHBondContact O-N 3.39Å; H436-R438 PolarHBondContact O-N 3.36Å; H436-L439 PolarHBondContact O-N 3.05Å; H436-R440 PolarHBondContact CE1-NE 3.42Å; H436-R440 PolarHBondContact CE1-NH2 2.93Å; H436-R440 PolarHBondContact NE2-NE 3.37Å; H436-R440 VanDerWaalsContact NE2-NE 3.12Å; H436-R440 PolarHBondContact O-N 2.95Å
437A95.3Very high91Very high49 Ų49101.7 Ų101.741%0.40553%0.533SS..Hα-helixtrans-63.5-39.1174.700000112.7L433 M434 K441L433-A437 WeakPolarHBondContact O-CB 3.12Å; L433-A437 PolarHBondContact O-N 3.28Å; M434-A437 PolarHBondContact O-N 3.46Å; A437-K441 PolarHBondContact O-N 3.01Å; A437-K441 VanDerWaalsContact O-N 3.11Å
438R94.9Very high89.2Confident169 Ų169105.1 Ų105.164%0.63854%0.544SS*.Hα-helixtrans-63.9-46.6172.3-71.1175.2-169.1-167.13.7111.6M434 K435 H436 R440 K441 H442M434-R438 WeakPolarHBondContact O-CG 3.48Å; M434-R438 PolarHBondContact O-N 3.09Å; K435-R438 PolarHBondContact O-N 3.35Å; H436-R438 PolarHBondContact O-N 3.36Å; R438-R440 VanDerWaalsContact C-N 3.33Å; R438-R440 PolarHBondContact O-N 3.09Å; R438-K441 PolarHBondContact O-N 3.22Å; R438-K441 VanDerWaalsContact O-N 3.12Å; R438-H442 PolarHBondContact O-CD2 2.85Å; R438-H442 PolarHBondContact O-N 3.13Å
439L94.1Very high87.3Confident104 Ų104105.1 Ų105.155%0.54555%0.545SS..Hα-helixtrans-59.3-42.5177.4-72.3169.7000112K435 H436 K441 H442 A443K435-L439 HydrophobicContact CG-CD1 4.33Å; K435-L439 WeakPolarHBondContact O-CG 3.32Å; K435-L439 PolarHBondContact O-N 3.08Å; H436-L439 PolarHBondContact O-N 3.05Å; L439-K441 PolarHBondContact O-N 3.18Å; L439-H442 PolarHBondContact O-N 3.31Å; L439-A443 WeakPolarHBondContact O-CB 3.31Å; L439-A443 PolarHBondContact O-N 3.4Å
440R92.3Very high85.2Confident169 Ų169107.3 Ų107.364%0.63856%0.561SS**Hα-helixtrans-59.6-43.4172.9-76.3-173.4177.6-164.2-5.4112.6H436 R438 H442 A443 S444H436-R440 PolarHBondContact CE1-NE 3.42Å; H436-R440 PolarHBondContact CE1-NH2 2.93Å; H436-R440 PolarHBondContact NE2-NE 3.37Å; H436-R440 VanDerWaalsContact NE2-NE 3.12Å; H436-R440 PolarHBondContact O-N 2.95Å; R438-R440 VanDerWaalsContact C-N 3.33Å; R438-R440 PolarHBondContact O-N 3.09Å; R440-H442 PolarHBondContact O-N 3.47Å; R440-A443 PolarHBondContact O-N 3.32Å; R440-S444 PolarHBondContact O-N 2.95Å; R440-S444 PolarHBondContact O-OG 2.95Å; R440-S444 VanDerWaalsContact O-OG 3.13Å
441K91.7Very high83Confident152 Ų152112.2 Ų112.266%0.66158%0.581SS**Hα-helixtrans-62.2-39.4176.9-76.4-170174.7-165.90113A437 R438 L439 S444 L445A437-K441 PolarHBondContact O-N 3.01Å; A437-K441 VanDerWaalsContact O-N 3.11Å; R438-K441 PolarHBondContact O-N 3.22Å; R438-K441 VanDerWaalsContact O-N 3.12Å; L439-K441 PolarHBondContact O-N 3.18Å; K441-S444 WeakPolarHBondContact CA-OG 3.35Å; K441-S444 PolarHBondContact O-OG 2.96Å; K441-L445 WeakPolarHBondContact O-CD1 3.39Å; K441-L445 WeakPolarHBondContact O-CG 3.4Å; K441-L445 PolarHBondContact O-N 3.42Å
442H89.1Confident81Confident129 Ų129117.5 Ų117.560%0.59760%0.595SS**Hα-helixtrans-68.5-43.1175.1-69.7-66.7000111.8R438 L439 R440 S444 L445 S446R438-H442 PolarHBondContact O-CD2 2.85Å; R438-H442 PolarHBondContact O-N 3.13Å; L439-H442 PolarHBondContact O-N 3.31Å; R440-H442 PolarHBondContact O-N 3.47Å; H442-S444 VanDerWaalsContact C-N 3.33Å; H442-S444 PolarHBondContact O-N 2.82Å; H442-L445 PolarHBondContact O-N 3.06Å; H442-L445 VanDerWaalsContact O-N 3.11Å; H442-S446 PolarHBondContact O-N 3.49Å; H442-S446 PolarHBondContact O-OG 3.08Å
443A87.4Confident78.9Confident54 Ų54119.5 Ų119.545%0.44660%0.601SS.*Hα-helixtrans-65.5-30.8176.900000113.6L439 R440 L445 S446 N447L439-A443 WeakPolarHBondContact O-CB 3.31Å; L439-A443 PolarHBondContact O-N 3.4Å; R440-A443 PolarHBondContact O-N 3.32Å; A443-L445 VanDerWaalsContact C-N 3.31Å; A443-S446 WeakPolarHBondContact CA-OG 3.42Å; A443-S446 PolarHBondContact O-OG 3.26Å; A443-S446 VanDerWaalsContact O-OG 3.04Å; A443-N447 PolarHBondContact O-OD1 2.75Å
444S82.4Confident76.8Confident73 Ų73122.6 Ų122.651%0.5162%0.617SS.*Hα-helixtrans-75.9-17.2173.156.60000113.9R440 K441 H442R440-S444 PolarHBondContact O-N 2.95Å; R440-S444 PolarHBondContact O-OG 2.95Å; R440-S444 VanDerWaalsContact O-OG 3.13Å; K441-S444 WeakPolarHBondContact CA-OG 3.35Å; K441-S444 PolarHBondContact O-OG 2.96Å; H442-S444 VanDerWaalsContact C-N 3.33Å; H442-S444 PolarHBondContact O-N 2.82Å
445L76Confident74.6Confident110 Ų110123.4 Ų123.458%0.57663%0.627SS**Hα-helixtrans-89.9-37.4175.8-73.5166.8000111.5K441 H442 A443 N447 N448K441-L445 WeakPolarHBondContact O-CD1 3.39Å; K441-L445 WeakPolarHBondContact O-CG 3.4Å; K441-L445 PolarHBondContact O-N 3.42Å; H442-L445 PolarHBondContact O-N 3.06Å; H442-L445 VanDerWaalsContact O-N 3.11Å; A443-L445 VanDerWaalsContact C-N 3.31Å; L445-N447 PolarHBondContact O-N 3.45Å; L445-N448 PolarHBondContact O-N 2.9Å
446S68.8Low72.4Confident71 Ų71121.2 Ų121.250%0.49764%0.636SS.*Hα-helixtrans-62-25178.7530000114.2H442 A443 N448H442-S446 PolarHBondContact O-N 3.49Å; H442-S446 PolarHBondContact O-OG 3.08Å; A443-S446 WeakPolarHBondContact CA-OG 3.42Å; A443-S446 PolarHBondContact O-OG 3.26Å; A443-S446 VanDerWaalsContact O-OG 3.04Å; S446-N448 VanDerWaalsContact C-N 3.32Å; S446-N448 PolarHBondContact O-N 3.48Å
447N62Low70.1Confident129 Ų129120.1 Ų120.169%0.6965%0.649SS**THydrogen-bonded Turntrans-86.21.1-174-7128.8000114.3A443 L445A443-N447 PolarHBondContact O-OD1 2.75Å; L445-N447 PolarHBondContact O-N 3.45Å
448N61.1Low68Low130 Ų130126.1 Ų126.170%0.69567%0.673SS**THydrogen-bonded Turntrans-111.60.7179.8-68.7-5.1000113.2L445 S446L445-N448 PolarHBondContact O-N 2.9Å; S446-N448 VanDerWaalsContact C-N 3.32Å; S446-N448 PolarHBondContact O-N 3.48Å
449E57.2Low66Low108 Ų108126.2 Ų126.251%0.50569%0.686SS.*  trans-125.530.6-163.9-58.2-79.1151.200112.4E451 F452E449-E451 PolarHBondContact O-N 3.37Å; E449-F452 HydrophobicContact CB-CD2 3.96Å; E449-F452 HydrophobicContact CB-CE2 4.02Å; E449-F452 HydrophobicContact CG-CE2 4.49Å; E449-F452 WeakPolarHBondContact O-CD2 3.42Å; E449-F452 PolarHBondContact O-N 3.11Å; E449-F452 WeakPolarHBondContact OE2-CE2 3.49Å
450D55.8Low63.8Low172 Ų172124.3 Ų124.392%0.9269%0.692SS**THydrogen-bonded Turntrans-74.623.2173.7-96.8-24.1000113.3
451E51.9Low61.8Low176 Ų176124.4 Ų124.482%0.82270%0.704SS**THydrogen-bonded Turntrans-116.430.5166.3-152.4-178.7170.500111.8E449 V453E449-E451 PolarHBondContact O-N 3.37Å; E451-V453 VanDerWaalsContact C-N 3.28Å; E451-V453 PolarHBondContact O-N 2.94Å
452F55.1Low59.7Low165 Ų165124.9 Ų124.972%0.72471%0.712SS**  trans-69.986.1170.2-103.9-77.3000111.9E449 L454E449-F452 HydrophobicContact CB-CD2 3.96Å; E449-F452 HydrophobicContact CB-CE2 4.02Å; E449-F452 HydrophobicContact CG-CE2 4.49Å; E449-F452 WeakPolarHBondContact O-CD2 3.42Å; E449-F452 PolarHBondContact O-N 3.11Å; E449-F452 WeakPolarHBondContact OE2-CE2 3.49Å; F452-L454 PolarHBondContact O-N 3.15Å
453V54.6Low57.8Low101 Ų101123.1 Ų123.161%0.61271%0.714SS**  trans-49.2115.51731700000111.2E451 V455E451-V453 VanDerWaalsContact C-N 3.28Å; E451-V453 PolarHBondContact O-N 2.94Å; V453-V455 HydrophobicContact CG1-CB 4.07Å; V453-V455 HydrophobicContact CG1-CG2 3.5Å; V453-V455 PolarHBondContact O-N 3.27Å
454L52.9Low56Low175 Ų175129 Ų12992%0.91673%0.732SS**  trans-73.960.5175.1-93.3165000112.4F452F452-L454 PolarHBondContact O-N 3.15Å
455V51.3Low54.3Low124 Ų124133.2 Ų133.275%0.75275%0.749SS**  trans-94.995.2168.7168.50000109.1V453 G457V453-V455 HydrophobicContact CG1-CB 4.07Å; V453-V455 HydrophobicContact CG1-CG2 3.5Å; V453-V455 PolarHBondContact O-N 3.27Å; V455-G457 PolarHBondContact O-N 2.9Å
456A50.8Low52.9Low97 Ų97133 Ų13380%0.80276%0.764SS**  trans-81113.5178.600000111.6
457G47.7Very low51.7Low65 Ų65135.5 Ų135.567%0.6778%0.78SS**  trans81.8123.9153.600000117.9V455V455-G457 PolarHBondContact O-N 2.9Å
458L51.4Low51.2Low176 Ų176134.7 Ų134.792%0.92178%0.781SS**  -151.8160.7122.3-135.674.3000110.4
459N51.8Low50.4Low170 Ų170134.7 Ų134.791%0.90979%0.786SS**  trans-98.4143.6178.4-64.2-58.7000111.4
460G48.5Very low49.9Very low64 Ų64134.2 Ų134.266%0.6680%0.801SS**  trans154.9107.5169.400000109.4
461L49.9Very low49.5Very low171 Ų171134.1 Ų134.190%0.89580%0.8SS**  71.6145.468.6-73.4170.2000113.9
462I48.5Very low49.1Very low162 Ų162129 Ų12983%0.83180%0.795SS**  trans78.698.3-175.5-49163.8000110.9
463S48.5Very low49Very low92 Ų92130.4 Ų130.464%0.64381%0.806SS**  70.890.566.8-146.30000111.2
464E49.3Very low48.4Very low177 Ų177131.2 Ų131.283%0.82782%0.817SS**  96.315793.2-85.8-173.416600112.9
465D48.1Very low48Very low162 Ų162129.1 Ų129.187%0.86682%0.816SS**  trans51.394.6176.1-71.4-14.9000120.2
466A46.5Very low47.6Very low107 Ų107128.9 Ų128.988%0.88482%0.82SS**  -168.3134121.100000114
467C42.5Very low47.5Very low123 Ų123130 Ų13083%0.83182%0.822SS**  trans-126.2157.9153.6-116.40000106.3
468P51.8Low47.4Very low111 Ų111131 Ų13172%0.72183%0.825SS**  cis-149.3171.446.641.6-21.6000118.3
469T44.2Very low47.3Very low130 Ų130132.9 Ų132.980%0.79883%0.826SS**  trans22.6113.5140.8-46.20000120.5
470A46.8Very low47.1Very low98 Ų98129.5 Ų129.581%0.8182%0.815SS**  trans-145.5154.7148.900000110.9
471N46.5Very low47.4Very low170 Ų170132.6 Ų132.691%0.90982%0.817SS**  trans-83.2150.8-175.7-56.8-51.7000112.3
472G45Very low47.5Very low70 Ų70130 Ų13072%0.72280%0.803SS**  trans-161.580.8-178.700000117.4
473M51.5Low47.6Very low194 Ų194129.2 Ų129.296%0.95680%0.801SS**  trans68.5144.7149.5-45.8-163.881.400120.5
474S43.4Very low47.6Very low118 Ų118129.4 Ų129.483%0.82580%0.802SS**  trans-97.3163.6-174.5-41.80000113
475S44.8Very low47.6Very low130 Ų130130.1 Ų130.191%0.90981%0.806SS**  trans-158156.2137.8-86.40000111.6
476S43Very low47.5Very low119 Ų119126.3 Ų126.383%0.83281%0.805SS**  trans-131.6149.5-16455.50000113
477S47.4Very low47.5Very low120 Ų120125.8 Ų125.884%0.83979%0.794SS**  trans-145.6157.7146.769.80000109.8
478A47Very low47.7Very low88 Ų88128.7 Ų128.773%0.72780%0.795SS**  trans-147.1151.3-173.900000110.9
479F49.3Very low47.4Very low215 Ų215129.1 Ų129.194%0.94380%0.801SS**  trans-134.1146.6159.7-76.8-78.3000108.4
480S46.8Very low47.5Very low99 Ų99134 Ų13469%0.69281%0.805SS**  trans-132.1-178.8-165173.30000110.1
481D54.3Low47.4Very low129 Ų129133.9 Ų133.969%0.6980%0.798SS**  trans98.4135.8159.2-60.411.3000116
482N53.1Low47.3Very low115 Ų115130.9 Ų130.962%0.61578%0.782SS**  cis-161.7155.3-14.2-117.2-38.2000111.3
483N49.2Very low47.2Very low147 Ų147138.2 Ų138.279%0.78679%0.789SS**  trans63.7150.5156.9-63.7-24.4000119.2
484S48.4Very low46.9Very low95 Ų95132.4 Ų132.466%0.66478%0.78SS**  cis-158.1150.1-8.244.70000111.9
485E49.7Very low46.9Very low192 Ų192138.3 Ų138.390%0.89778%0.784SS**  trans50.6123.1148.5-62.2178.9146.500121.2
486G46.2Very low47.2Very low82 Ų82138.5 Ų138.585%0.84578%0.779SS**  trans-177.145.9-179.800000115.4
487S46.7Very low47.8Very low96 Ų96138.4 Ų138.467%0.67178%0.776SS**  trans-44.8132.8-167.8-53.40000119.7
488H47.1Very low47.7Very low184 Ų184137.9 Ų137.985%0.85277%0.772SS**  trans59.8140.5151.3-46.7-45.7000118.6
489S44.9Very low47.6Very low121 Ų121145.3 Ų145.385%0.84678%0.781SS**  cis-137.9163.430.1-166.70000114.1
490R46.9Very low47.5Very low233 Ų233143.4 Ų143.488%0.87978%0.779SS**  trans-148.2171.2-174.8-171.8179.6177.2-163.1-0.1108.4
491S45.4Very low47.7Very low94 Ų94142.9 Ų142.966%0.65778%0.781SS**  trans82.6138.9170.1-174.30000115.9
492D43.3Very low47.7Very low107 Ų107141.2 Ų141.257%0.57279%0.785SS**  cis-163.4176.4-20.2-96.2-38.8000111
493Y43.7Very low47.9Very low224 Ų224140.9 Ų140.988%0.87878%0.783SS**  trans74.8128.2160-53.6-62.2000119.7
494G43.7Very low48.6Very low73 Ų73142.8 Ų142.875%0.75379%0.787SS**  trans-168.32.217900000118.5
495R45Very low49.5Very low241 Ų241147 Ų14791%0.90979%0.788SS**  trans27.299.6166-173.7-168.7-100.6-154.1-3.5117.7
496V51.2Low50.3Low135 Ų135143.5 Ų143.582%0.81878%0.783SS**PPolyproline II helixtrans-98.1132.8158.9-178.50000109.7
497P54.1Low51.3Low117 Ų117147.5 Ų147.576%0.7678%0.783SS**PPolyproline II helixtrans-65.1155.6179.9-24.135.3000115.1
498S46.7Very low52.3Low108 Ų108151.8 Ų151.876%0.75579%0.789SS**PPolyproline II helixtrans-94.9165.8-175.8-420000113.8
499R43.3Very low53.3Low245 Ų245148.8 Ų148.893%0.92579%0.787SS**  trans63.789.2162.5-58.6-179-177.6-170.6-0.1116.5
500I48.3Very low54.3Low175 Ų175149.9 Ų149.990%0.89778%0.782SS**  trans-93.7130.1132.8-61176.8000105.6
501A51Low55.1Low87 Ų87143.1 Ų143.172%0.71977%0.77SS**  trans-75.5144.5177.100000110.6D503A501-D503 PolarHBondContact O-N 3.31Å
502A54.8Low56Low95 Ų95146.9 Ų146.979%0.78578%0.783SS**  trans-74.791.317100000109.5E504A502-E504 PolarHBondContact O-N 3.32Å
503D56.6Low57.5Low108 Ų108144 Ų14458%0.57877%0.771SS**  trans-79.490.5172.7-167.917.1000107.9A501 R505A501-D503 PolarHBondContact O-N 3.31Å; D503-R505 PolarHBondContact O-N 2.92Å; D503-R505 WeakPolarHBondContact OD1-CG 3.38Å; D503-R505 IonicContact OD1-CZ 2.59Å; D503-R505 IonicContact OD1-NE 3.28Å; D503-R505 PolarHBondContact OD1-NE 3.5Å; D503-R505 IonicContact OD1-NH2 2.77Å; D503-R505 PolarHBondContact OD1-NH2 3.18Å; D503-R505 WeakPolarHBondContact OD2-CD 3.46Å; D503-R505 IonicContact OD2-CZ 2.67Å; D503-R505 IonicContact OD2-NE 3.16Å; D503-R505 PolarHBondContact OD2-NE 3.02Å; D503-R505 IonicContact OD2-NH2 2.75Å; D503-R505 PolarHBondContact OD2-NH2 3.34Å
504E64.4Low59.3Low186 Ų186135.3 Ų135.387%0.86974%0.744SS**  trans-70.147.5-175.4-65.1-163.3134.100113.7A502A502-E504 PolarHBondContact O-N 3.32Å
505R66Low61.3Low183 Ų183136.2 Ų136.269%0.69174%0.736SS**  trans-76.3128.7175-63.1-175.2-166.3-153.14.3109.2D503 I507D503-R505 PolarHBondContact O-N 2.92Å; D503-R505 WeakPolarHBondContact OD1-CG 3.38Å; D503-R505 IonicContact OD1-CZ 2.59Å; D503-R505 IonicContact OD1-NE 3.28Å; D503-R505 PolarHBondContact OD1-NE 3.5Å; D503-R505 IonicContact OD1-NH2 2.77Å; D503-R505 PolarHBondContact OD1-NH2 3.18Å; D503-R505 WeakPolarHBondContact OD2-CD 3.46Å; D503-R505 IonicContact OD2-CZ 2.67Å; D503-R505 IonicContact OD2-NE 3.16Å; D503-R505 PolarHBondContact OD2-NE 3.02Å; D503-R505 IonicContact OD2-NH2 2.75Å; D503-R505 PolarHBondContact OD2-NH2 3.34Å; R505-I507 PolarHBondContact O-N 2.94Å
506P66.3Low63.3Low120 Ų120132.2 Ų132.278%0.77973%0.726SS**  trans-59.2128.3178.223.6-33.1000109.8K508P506-K508 PolarHBondContact O-N 2.99Å
507I68.3Low65.1Low165 Ų165130 Ų13085%0.84671%0.709SS**  trans-57.8110.4178.5-59.2174000107.6R505R505-I507 PolarHBondContact O-N 2.94Å
508K67.6Low66.8Low186 Ų186128.8 Ų128.881%0.80969%0.694SS**PPolyproline II helixtrans-57.8131.2173.5-72.8-177.7178.1177.70108P506 L510P506-K508 PolarHBondContact O-N 2.99Å; K508-L510 PolarHBondContact O-N 3.32Å
509P67.9Low68.8Low122 Ų122131.8 Ų131.879%0.79269%0.689SS**PPolyproline II helixtrans-57137175.224.8-33.5000108.9S511P509-S511 PolarHBondContact O-N 3.07Å
510L65.3Low71.2Confident144 Ų144125 Ų12575%0.75467%0.671SS**PPolyproline II helixtrans-53.4134.1171.7-70.5168.6000108.4K508K508-L510 PolarHBondContact O-N 3.32Å
511S63.7Low73.3Confident90 Ų90120.8 Ų120.863%0.62965%0.65SS**PPolyproline II helixtrans-55.6153.6176.443.50000111.1P509 S513P509-S511 PolarHBondContact O-N 3.07Å; S511-S513 PolarHBondContact O-N 3.43Å; S511-S513 PolarHBondContact O-OG 3Å; S511-S513 PolarHBondContact OG-OG 3.21Å
512N64.4Low75.3Confident174 Ų174122 Ų12293%0.9365%0.645SS**SBendtrans-65.919-176.5-63.4-1.2000115.4S514N512-S514 PolarHBondContact O-N 2.75Å
513S75.7Confident77.1Confident45 Ų45120.2 Ų120.232%0.31562%0.621SS.*  trans-57127.6163.944.20000110S511 D517S511-S513 PolarHBondContact O-N 3.43Å; S511-S513 PolarHBondContact O-OG 3Å; S511-S513 PolarHBondContact OG-OG 3.21Å; S513-D517 WeakPolarHBondContact CA-OD2 3.26Å
514S81.9Confident78.7Confident43 Ų43118.2 Ų118.230%0.30162%0.615SS.*  trans-57.6151.1174.3-178.20000110.9N512 F516 D517 M518N512-S514 PolarHBondContact O-N 2.75Å; S514-F516 PolarHBondContact O-N 2.89Å; S514-F516 VanDerWaalsContact O-N 3.07Å; S514-F516 PolarHBondContact OG-N 3.24Å; S514-D517 WeakPolarHBondContact CB-OD2 3Å; S514-D517 PolarHBondContact N-OD2 2.87Å; S514-D517 PolarHBondContact O-N 3.41Å; S514-M518 PolarHBondContact O-N 2.87Å
515P85.2Confident80.1Confident92 Ų92115.3 Ų115.360%0.59760%0.6SS**Hα-helixtrans-54-24.2166.9-26.635.9000113.6
516F86.3Confident81.1Confident157 Ų157113.4 Ų113.469%0.68960%0.599SS**Hα-helixtrans-74.2-44.1172.1-70.3-81.3000112.6S514 M518 W519 D520S514-F516 PolarHBondContact O-N 2.89Å; S514-F516 VanDerWaalsContact O-N 3.07Å; S514-F516 PolarHBondContact OG-N 3.24Å; F516-M518 VanDerWaalsContact C-N 3.29Å; F516-M518 PolarHBondContact O-N 3.22Å; F516-W519 WeakPolarHBondContact O-CA 3.39Å; F516-W519 WeakPolarHBondContact O-CB 3.46Å; F516-W519 PolarHBondContact O-N 3.43Å; F516-D520 PolarHBondContact O-N 3.33Å
517D90.2Very high82.1Confident87 Ų87115.8 Ų115.847%0.46559%0.592SS.*Hα-helixtrans-58.8-42.9178.5-49.6-19.6000110.5S513 S514 W519 D520 D521S513-D517 WeakPolarHBondContact CA-OD2 3.26Å; S514-D517 WeakPolarHBondContact CB-OD2 3Å; S514-D517 PolarHBondContact N-OD2 2.87Å; S514-D517 PolarHBondContact O-N 3.41Å; D517-W519 PolarHBondContact O-N 2.88Å; D517-D520 PolarHBondContact O-N 3.36Å; D517-D521 VanDerWaalsContact O-CB 3.31Å; D517-D521 WeakPolarHBondContact O-CB 3.43Å; D517-D521 PolarHBondContact O-N 3.06Å
518M89.3Confident83.1Confident92 Ų92111.5 Ų111.545%0.45358%0.577SS.*Hα-helixtrans-61.6-31.3174.8-67.5-167.5-7000113S514 F516 L522S514-M518 PolarHBondContact O-N 2.87Å; F516-M518 VanDerWaalsContact C-N 3.29Å; F516-M518 PolarHBondContact O-N 3.22Å; M518-L522 WeakPolarHBondContact O-CB 3.28Å; M518-L522 PolarHBondContact O-N 2.95Å; M518-L522 VanDerWaalsContact O-N 3.15Å
519W88.7Confident83.9Confident171 Ų171105.2 Ų105.265%0.64856%0.56SS**Hα-helixtrans-75.9-42.7176.2-102.892.6000112.3F516 D517 D521 L522 I523F516-W519 WeakPolarHBondContact O-CA 3.39Å; F516-W519 WeakPolarHBondContact O-CB 3.46Å; F516-W519 PolarHBondContact O-N 3.43Å; D517-W519 PolarHBondContact O-N 2.88Å; W519-D521 VanDerWaalsContact C-N 3.31Å; W519-L522 WeakPolarHBondContact O-CB 3.4Å; W519-L522 PolarHBondContact O-N 2.77Å; W519-I523 HydrophobicContact CE3-CD1 4.11Å; W519-I523 HydrophobicContact CE3-CG1 4.42Å; W519-I523 WeakPolarHBondContact O-CB 3.47Å; W519-I523 WeakPolarHBondContact O-CG1 3.41Å; W519-I523 PolarHBondContact O-N 3.28Å
520D93.4Very high84.6Confident102 Ų102103.3 Ų103.355%0.54555%0.546SS..Hα-helixtrans-67.7-32.7175.7-82.8-36.3000111.8F516 D517 I523 S524F516-D520 PolarHBondContact O-N 3.33Å; D517-D520 PolarHBondContact O-N 3.36Å; D520-I523 PolarHBondContact O-N 2.94Å; D520-S524 WeakPolarHBondContact O-CB 3.49Å; D520-S524 PolarHBondContact O-N 3.07Å; D520-S524 PolarHBondContact O-OG 3.13Å
521D92.7Very high85.3Confident87 Ų87100.5 Ų100.547%0.46553%0.532SS..Hα-helixtrans-67.5-38.6172.5-150.453.6000111.6D517 W519 S524 K525D517-D521 VanDerWaalsContact O-CB 3.31Å; D517-D521 WeakPolarHBondContact O-CB 3.43Å; D517-D521 PolarHBondContact O-N 3.06Å; W519-D521 VanDerWaalsContact C-N 3.31Å; D521-S524 PolarHBondContact O-N 2.94Å; D521-K525 WeakPolarHBondContact O-CB 3.37Å; D521-K525 WeakPolarHBondContact O-CG 3.32Å; D521-K525 PolarHBondContact O-N 3.39Å; D521-K525 IonicContact OD2-NZ 2.76Å; D521-K525 PolarHBondContact OD2-NZ 3.21Å
522L93.4Very high86Confident114 Ų11499.1 Ų99.160%0.59753%0.526SS*.Hα-helixtrans-65.6-45.2173.7-156.883.7000111.7M518 W519 S524 K525 Q526M518-L522 WeakPolarHBondContact O-CB 3.28Å; M518-L522 PolarHBondContact O-N 2.95Å; M518-L522 VanDerWaalsContact O-N 3.15Å; W519-L522 WeakPolarHBondContact O-CB 3.4Å; W519-L522 PolarHBondContact O-N 2.77Å; L522-S524 VanDerWaalsContact C-N 3.32Å; L522-S524 PolarHBondContact O-N 3.08Å; L522-K525 PolarHBondContact O-N 3.15Å; L522-Q526 WeakPolarHBondContact O-CB 3.47Å; L522-Q526 PolarHBondContact O-N 2.83Å
523I90.7Very high86.3Confident56 Ų5696.4 Ų96.429%0.28752%0.515SS..Hα-helixtrans-63.3-39.6175.5-72.5167.1000110.7W519 D520 Q526 R527W519-I523 HydrophobicContact CE3-CD1 4.11Å; W519-I523 HydrophobicContact CE3-CG1 4.42Å; W519-I523 WeakPolarHBondContact O-CB 3.47Å; W519-I523 WeakPolarHBondContact O-CG1 3.41Å; W519-I523 PolarHBondContact O-N 3.28Å; D520-I523 PolarHBondContact O-N 2.94Å; I523-Q526 PolarHBondContact O-N 3.5Å; I523-R527 VanDerWaalsContact O-CG 3.3Å; I523-R527 WeakPolarHBondContact O-CG 3.27Å; I523-R527 PolarHBondContact O-N 3.5Å
524S91.7Very high85.8Confident66 Ų66101 Ų10146%0.46253%0.529SS..Hα-helixtrans-67.8-42.2178.9-63.10000112D520 D521 L522 R527 S528D520-S524 WeakPolarHBondContact O-CB 3.49Å; D520-S524 PolarHBondContact O-N 3.07Å; D520-S524 PolarHBondContact O-OG 3.13Å; D521-S524 PolarHBondContact O-N 2.94Å; L522-S524 VanDerWaalsContact C-N 3.32Å; L522-S524 PolarHBondContact O-N 3.08Å; S524-R527 PolarHBondContact O-N 3.23Å; S524-S528 PolarHBondContact O-N 2.77Å; S524-S528 PolarHBondContact O-OG 3.33Å
525K93.2Very high84.8Confident126 Ų126106.1 Ų106.155%0.54855%0.552SS.*Hα-helixtrans-61.9-39.6170.4-79.5165.3177140.20112.5D521 L522 R527 S528 A529D521-K525 WeakPolarHBondContact O-CB 3.37Å; D521-K525 WeakPolarHBondContact O-CG 3.32Å; D521-K525 PolarHBondContact O-N 3.39Å; D521-K525 IonicContact OD2-NZ 2.76Å; D521-K525 PolarHBondContact OD2-NZ 3.21Å; L522-K525 PolarHBondContact O-N 3.15Å; K525-R527 VanDerWaalsContact C-N 3.35Å; K525-S528 PolarHBondContact O-N 2.69Å; K525-S528 PolarHBondContact O-OG 2.89Å; K525-S528 VanDerWaalsContact O-OG 3.11Å; K525-A529 WeakPolarHBondContact O-CB 3.42Å; K525-A529 PolarHBondContact O-N 3.08Å; K525-A529 VanDerWaalsContact O-N 3.09Å
526Q87.3Confident83.4Confident143 Ų143106.7 Ų106.767%0.66856%0.559SS**Hα-helixtrans-68-34.9177.6-162.8176.362.500112.1L522 I523 V530L522-Q526 WeakPolarHBondContact O-CB 3.47Å; L522-Q526 PolarHBondContact O-N 2.83Å; I523-Q526 PolarHBondContact O-N 3.5Å; Q526-V530 WeakPolarHBondContact O-CG2 3.33Å; Q526-V530 PolarHBondContact O-N 3.25Å
527R87Confident81.8Confident169 Ų169108.7 Ų108.764%0.63857%0.567SS**Hα-helixtrans-66.1-50.3172.6-71.7166.4-175.4-96.94112I523 S524 K525 A529 V530 D531I523-R527 VanDerWaalsContact O-CG 3.3Å; I523-R527 WeakPolarHBondContact O-CG 3.27Å; I523-R527 PolarHBondContact O-N 3.5Å; S524-R527 PolarHBondContact O-N 3.23Å; K525-R527 VanDerWaalsContact C-N 3.35Å; R527-A529 VanDerWaalsContact C-N 3.3Å; R527-A529 PolarHBondContact O-N 3.41Å; R527-V530 PolarHBondContact O-N 2.83Å; R527-V530 VanDerWaalsContact O-N 3.09Å; R527-D531 PolarHBondContact O-N 2.96Å
528S89.1Confident80Confident75 Ų75113.1 Ų113.152%0.52458%0.583SS.*Hα-helixtrans-63.1-35.6-178.164.80000112.6S524 K525 V530 D531 A532S524-S528 PolarHBondContact O-N 2.77Å; S524-S528 PolarHBondContact O-OG 3.33Å; K525-S528 PolarHBondContact O-N 2.69Å; K525-S528 PolarHBondContact O-OG 2.89Å; K525-S528 VanDerWaalsContact O-OG 3.11Å; S528-V530 PolarHBondContact O-N 2.86Å; S528-D531 PolarHBondContact O-N 3.17Å; S528-A532 WeakPolarHBondContact O-CB 3.44Å; S528-A532 PolarHBondContact O-N 2.72Å
529A85.9Confident78.1Confident55 Ų55115.5 Ų115.546%0.45560%0.597SS.*Hα-helixtrans-61.8-40.2172.600000113.1K525 R527 D531 V533K525-A529 WeakPolarHBondContact O-CB 3.42Å; K525-A529 PolarHBondContact O-N 3.08Å; K525-A529 VanDerWaalsContact O-N 3.09Å; R527-A529 VanDerWaalsContact C-N 3.3Å; R527-A529 PolarHBondContact O-N 3.41Å; A529-D531 VanDerWaalsContact C-N 3.35Å; A529-D531 PolarHBondContact O-N 3.41Å; A529-V533 WeakPolarHBondContact O-CG2 3.39Å; A529-V533 PolarHBondContact O-N 2.84Å
530V81.8Confident75.9Confident81 Ų81112.8 Ų112.849%0.49160%0.604SS.*Hα-helixtrans-67.3-33.4179166.60000112.4Q526 R527 S528Q526-V530 WeakPolarHBondContact O-CG2 3.33Å; Q526-V530 PolarHBondContact O-N 3.25Å; R527-V530 PolarHBondContact O-N 2.83Å; R527-V530 VanDerWaalsContact O-N 3.09Å; S528-V530 PolarHBondContact O-N 2.86Å
531D79.8Confident73.3Confident86 Ų86114.8 Ų114.846%0.4662%0.62SS.*Hα-helixtrans-84.3-33177.9-69.3-34000112.8R527 S528 A529 V533 K534R527-D531 PolarHBondContact O-N 2.96Å; S528-D531 PolarHBondContact O-N 3.17Å; A529-D531 VanDerWaalsContact C-N 3.35Å; A529-D531 PolarHBondContact O-N 3.41Å; D531-V533 VanDerWaalsContact C-N 3.31Å; D531-V533 PolarHBondContact O-N 3.35Å; D531-K534 PolarHBondContact O-N 3.35Å; D531-K534 VanDerWaalsContact O-N 3.11Å; D531-K534 IonicContact OD1-NZ 2.69Å; D531-K534 PolarHBondContact OD1-NZ 3.12Å
532A77.9Confident70.9Confident61 Ų61117.6 Ų117.650%0.50464%0.641SS.*Hα-helixtrans-58.1-41.4171.200000112.4S528 K534 L535S528-A532 WeakPolarHBondContact O-CB 3.44Å; S528-A532 PolarHBondContact O-N 2.72Å; A532-K534 PolarHBondContact O-N 2.76Å; A532-L535 PolarHBondContact O-N 2.89Å
533V72.1Confident68.5Low116 Ų116117.3 Ų117.370%0.70365%0.654SS**Hα-helixtrans-66.2-17.4178.4170.60000113.3A529 D531A529-V533 WeakPolarHBondContact O-CG2 3.39Å; A529-V533 PolarHBondContact O-N 2.84Å; D531-V533 VanDerWaalsContact C-N 3.31Å; D531-V533 PolarHBondContact O-N 3.35Å
534K64.4Low66.2Low142 Ų142117.8 Ų117.862%0.61767%0.673SS**Hα-helixtrans-85.2-20.3177.5-67.9171.7-166.2154.80114.2D531 A532D531-K534 PolarHBondContact O-N 3.35Å; D531-K534 VanDerWaalsContact O-N 3.11Å; D531-K534 IonicContact OD1-NZ 2.69Å; D531-K534 PolarHBondContact OD1-NZ 3.12Å; A532-K534 PolarHBondContact O-N 2.76Å
535L61.3Low63.9Low150 Ų150123.8 Ų123.879%0.78569%0.694SS**Hα-helixtrans-87.6-21.2-171.5-79.3162000114.1A532 K537A532-L535 PolarHBondContact O-N 2.89Å; L535-K537 VanDerWaalsContact C-N 3.33Å; L535-K537 PolarHBondContact O-N 3.35Å
536S54.7Low61.7Low105 Ų105124 Ų12473%0.73471%0.706SS**SBendtrans-85.520.6-16758.70000116.5
537K53.9Low59.6Low198 Ų198126 Ų12686%0.86171%0.713SS**SBendtrans-134.934.2-169.3-149.5165.3-170.9163.70116.7L535L535-K537 VanDerWaalsContact C-N 3.33Å; L535-K537 PolarHBondContact O-N 3.35Å
538K51.4Low57.7Low181 Ų181125.6 Ų125.679%0.78772%0.718SS**  trans-152.8100170.4-165.9-173.9176.5-169.40111.8
539D48.9Very low55.7Low142 Ų142128.6 Ų128.676%0.75973%0.728SS**  trans174.3170.4131.3-85.3-17.7000111
540S42.4Very low53.5Low113 Ų113129.8 Ų129.879%0.7975%0.745SS**  trans63.4102.117767.50000118.7
541T38.8Very low51.7Low145 Ų145130.5 Ų130.589%0.8976%0.76SS**  trans-172.198.7137.66.50000111.5
542T42.8Very low50.1Low146 Ų146131.9 Ų131.990%0.89677%0.774SS**  trans-164.1127.6167.1-1.50000113.1
543A42.6Very low48.6Very low107 Ų107139.2 Ų139.288%0.88479%0.794SS**  trans64.8153.316000000121
544G43.3Very low47.6Very low66 Ų66138.5 Ų138.568%0.6879%0.792SS**  trans82.3119.8-179.600000113.1
545E42.8Very low46.6Very low192 Ų192143.3 Ų143.390%0.89781%0.807SS**  cis60.7122.746.3-50.6-172.7152.300111.4
546T46.6Very low45.8Very low131 Ų131147.1 Ų147.180%0.80481%0.81SS**  cis-148.5179.735.2-49.60000112.7
547K44Very low45.5Very low185 Ų185147.2 Ų147.280%0.80481%0.807SS**  trans-51.7151.1173.6-54.7167.4180173.30112.5
548E48Very low45Very low160 Ų160145 Ų14575%0.74881%0.805SS**  -169160.471-90.3-157116.700115.2
549N45.3Very low44.5Very low139 Ų139139.6 Ų139.674%0.74380%0.8SS**  trans35.5118.3144.5-48-24.8000121.4
550G40.5Very low44.2Very low79 Ų79141 Ų14181%0.81480%0.802SS**  trans176.4119.7162.900000114
551A43.6Very low44.1Very low97 Ų97142.8 Ų142.880%0.80280%0.802SS**  trans-76.9153-171.700000114.8
552P47.2Very low44.3Very low114 Ų114140.5 Ų140.574%0.7479%0.792SS**  trans-89.9153.5-178.835.9-35.8000114.1
553F46.3Very low44.3Very low215 Ų215141.1 Ų141.194%0.94379%0.789SS**  trans-127.2108.5168.5-98.5-80.1000112.7
554P50.4Low44.3Very low101 Ų101143.9 Ų143.966%0.65678%0.784SS**  trans-123.6138.2160.135.8-24.8000112
555R44Very low44Very low244 Ų244151.5 Ų151.592%0.92179%0.792SS**  trans176.2163.8150.9-106.1164.7179.8-160-1.4114.7
556R43.8Very low44Very low229 Ų229147.3 Ų147.386%0.86478%0.783SS**  trans79.2130.4167.7-51-159.3179.2-161.1-1.8115.4
557T48.8Very low43.9Very low108 Ų108149.4 Ų149.466%0.66378%0.782SS**  cis-154.9135.9-5.77.20000108.6
558N42.7Very low43.9Very low152 Ų152145.8 Ų145.881%0.81378%0.779SS**  55.5137.898.9-6020.7000115.1
559G41.1Very low43.6Very low66 Ų66143.9 Ų143.968%0.6878%0.775SS**  cis-134.7165.6-3.400000110.7
560Q42.4Very low43.6Very low172 Ų172145.5 Ų145.580%0.80478%0.782SS**  86.8161.552.5-73.2-149.9-7600114.9
561D41.7Very low43.6Very low150 Ų150146 Ų14680%0.80278%0.779SS**  trans73.9101.5-168.8-53.1-18.8000114.4
562S42.4Very low43.7Very low97 Ų97147.4 Ų147.468%0.67878%0.78SS**  cis81.1147.916.4-48.10000117.5
563L42.7Very low43.5Very low159 Ų159150.2 Ų150.283%0.83279%0.787SS**  trans81.3150.4178.4-55.4164.8000117.1
564H42.5Very low43.3Very low166 Ų166144.8 Ų144.877%0.76978%0.781SS**  cis-170.8172.2-41.8-135.9-99000110.2
565R38.3Very low42.9Very low226 Ų226142.9 Ų142.985%0.85378%0.78SS**  trans73149.5167.8-63.8-179172.9-156.5-2.2116.7
566S42.5Very low42.9Very low103 Ų103139.7 Ų139.772%0.7278%0.781SS**  cis-159.1163.4-13.9-107.20000113.7
567K44Very low42.7Very low176 Ų176132 Ų13277%0.76577%0.773SS**  trans-33.6158165.4-55.8179.8177.8-172.90115.6
568S44.5Very low42.5Very low108 Ų108134.6 Ų134.676%0.75578%0.782SS**  -171.8172.156.950.40000112.2
569D41.3Very low42.3Very low121 Ų121139.2 Ų139.265%0.64779%0.788SS**  cis-169.4175.6-28.6-93.3-51.5000107.5
570L45.6Very low42.7Very low172 Ų172144.5 Ų144.590%0.90180%0.798SS**  trans73.3140.7172.1-50.3174.6000117.5
571A40.4Very low42.6Very low91 Ų91141.1 Ų141.175%0.75279%0.793SS**  cis-157.3150.1-19.300000110.9
572P45.1Very low42.6Very low125 Ų125145.1 Ų145.181%0.81280%0.796SS**  trans-123.4150.1-174.340.2-28.3000116.4
573I42.5Very low42.5Very low173 Ų173146.2 Ų146.289%0.88780%0.802SS**  trans-140.3144.3167.3-63.9-173.9000112.5
574A42.5Very low42.4Very low101 Ų101148.9 Ų148.984%0.83581%0.806SS**  trans-20161.2174.700000122.1
575G41.3Very low42.4Very low61 Ų61145.6 Ų145.663%0.62981%0.808SS**  cis162.8175.1-3.400000114.8
576N44Very low42.4Very low177 Ų177140.2 Ų140.295%0.94781%0.805SS**  trans63148.2-178.9-57.1-19.1000115.3
577G41Very low42.5Very low67 Ų67142.8 Ų142.869%0.69181%0.81SS**  cis140.2138.96.100000108.1
578L44Very low42.3Very low163 Ų163145.7 Ų145.785%0.85382%0.816SS**  cis-125.9162.15.5-7466.7000110.4
579R38.7Very low42.6Very low249 Ų249146 Ų14694%0.9481%0.814SS**  trans-107.6120.2158-81.5-174.9173.3-177.5-0.8110
580M50.2Low42.4Very low178 Ų178145.8 Ų145.888%0.87782%0.822SS**  trans-98.9139.9162.7-71.9-65.1-85.600109.7
581S39.6Very low42.5Very low100 Ų100145.3 Ų145.370%0.69982%0.818SS**  trans-125.8170.7-17667.90000111.2
582R40.7Very low42.8Very low234 Ų234147 Ų14788%0.88382%0.819SS**  trans87.9157.1179.3-56.5175.4167.9-161.1-4.1115.6
583P42Very low43.2Very low121 Ų121152 Ų15279%0.78682%0.822SS**  cis-126.9167.9-24.728-9.2000113.6
584K39.5Very low43.6Very low214 Ų214149.8 Ų149.893%0.9382%0.818SS**  trans-74.7124161.9-67.1176.2179175.90109.1
585A41.9Very low43.6Very low97 Ų97152.6 Ų152.680%0.80282%0.819SS**  trans-101.2127.4167.300000109.8
586S39.2Very low44.2Very low114 Ų114158.1 Ų158.180%0.79783%0.83SS**  trans-111.9113.2174.6-172.50000109.3
587L44.7Very low44.1Very low157 Ų157160.5 Ų160.582%0.82283%0.826SS**  trans-101.298.8174.4-88.7164.7000110.2
588R40.3Very low44.5Very low236 Ų236169.2 Ų169.289%0.89184%0.838SS**  trans-83.7113.4160.1-92.2178.8154.5-173.2-6108.7
589T49.4Very low44.6Very low116 Ų116172.3 Ų172.371%0.71284%0.838SS**  trans-12884.4165.845.60000109.9I591T589-I591 PolarHBondContact O-N 3.23Å
590S37.2Very low44.7Very low116 Ų116169.3 Ų169.381%0.81184%0.835SS**  trans-80.8108.1172.153.10000110.2
591I49.5Very low44.5Very low162 Ų162170.4 Ų170.483%0.83184%0.838SS**  trans-97.9124.9170-63.4179.3000108.9T589T589-I591 PolarHBondContact O-N 3.23Å
592V45Very low44.8Very low126 Ų126174.7 Ų174.776%0.76484%0.844SS**  trans-73145.7-176176.80000110.9
593R54.7Low45Very low231 Ų231169.8 Ų169.887%0.87284%0.84SS**  trans-120.1146.8158.1-75.7-174.1176.4168.40.1110.1
594P51.3Low45Very low126 Ų126170.1 Ų170.182%0.81884%0.84SS**  trans-79.9155.1-163.4-1532.3000114.4
595L41Very low45.4Very low160 Ų160165.8 Ų165.884%0.83883%0.834SS**  trans-70.5138.6165.9-113.274.7000111
596M53.6Low45.8Very low176 Ų176170.6 Ų170.687%0.86784%0.839SS**  trans-127.1121.4160-87.7-105.166.200109.1
597R43.7Very low46Very low228 Ų228174.3 Ų174.386%0.8684%0.844SS**  trans-82.8144.3178.2-72172.2164.2144.4-8.9110.7
598R48.1Very low45.9Very low250 Ų250171.5 Ų171.594%0.94384%0.844SS**  trans-144144.1148.1-129.5171.8-179.3157.1-0.1111.9
599R46Very low46Very low228 Ų228165.8 Ų165.886%0.8684%0.837SS**  trans-54139.4178.4-66170173-174-5.5110.5
600Q40.9Very low45.4Very low186 Ų186166.8 Ų166.887%0.86984%0.843SS**  58109.168.7-87.3-168.6-12.200114
601E46.7Very low45.6Very low201 Ų201166.4 Ų166.494%0.93985%0.847SS**  trans-148.4150.4144.8-155.5145.1-120.800107.2
602K44.8Very low45.1Very low189 Ų189164 Ų16482%0.82285%0.845SS**  trans-158108-154.8179.8-161174.9-168.90114.2
603T44.6Very low45Very low132 Ų132166.4 Ų166.481%0.8185%0.852SS**  trans-161.8148.2169.341.40000109.4
604T42.7Very low44.5Very low127 Ų127160.4 Ų160.478%0.77984%0.843SS**  cis-158.5144.5-41-1.20000106.4
605P47.4Very low43.9Very low123 Ų123164.4 Ų164.480%0.79985%0.848SS**  trans-96165.9-175.138.1-35.1000113.6
606E51.1Low44.1Very low198 Ų198162.2 Ų162.293%0.92585%0.846SS**  trans-140.1141.1160.2-171.7169.1-129.700109
607E43.8Very low43.4Very low193 Ų193158.8 Ų158.890%0.90285%0.845SS**  trans-129.2139178.9-69.5-173.1131.200110.3
608A42Very low43.2Very low98 Ų98151.1 Ų151.181%0.8184%0.838SS**  trans-151.8137.8160.900000110
609P43.4Very low43.1Very low115 Ų115148.4 Ų148.475%0.74784%0.841SS**  trans-111155.8-163.941-35.6000116.3
610T36Very low42.7Very low138 Ų138140.7 Ų140.785%0.84783%0.832SS**  trans34.5119.2146.859.10000121
611A42.1Very low42.9Very low107 Ų107141.3 Ų141.388%0.88484%0.835SS**  trans-132.9151.2148.100000109.9
612S38.1Very low42.6Very low112 Ų112142.9 Ų142.978%0.78383%0.832SS**  trans-138.3148.1-17559.50000111.7
613L43.8Very low42.8Very low177 Ų177141.9 Ų141.993%0.92784%0.835SS**  trans-170.9164.3157.5-96.1140.8000110.2
614P42.8Very low42.4Very low104 Ų104140.9 Ų140.968%0.67583%0.834SS**  trans-126.1164.5-151.744.2-35.1000119.1
615K39.8Very low42.5Very low211 Ų211144.7 Ų144.792%0.91784%0.84SS**  trans36.9121.9142.1-67-178.4175.9179.50122.4
616S44.1Very low42.2Very low113 Ų113148 Ų14879%0.7984%0.841SS**  trans-129144.4135.549.50000107.2
617A40.1Very low42Very low104 Ų104145.8 Ų145.886%0.8684%0.835SS**  65.3121.454.200000112.8
618G39.5Very low41.8Very low68 Ų68141.8 Ų141.870%0.70183%0.828SS**  cis-177.4-162.4-0.500000112
619L45.4Very low42.2Very low192 Ų192146.3 Ų146.3100%1.00583%0.83SS**  trans67.9159.7-178.3-48.7171.5000113.5
620G37.4Very low41.9Very low67 Ų67144.1 Ų144.169%0.69183%0.828SS**  cis145.6143.38.400000106.9
621E44.5Very low42.2Very low198 Ų198142.5 Ų142.593%0.92582%0.823SS**  cis-147.8-172.36-72.6-167.286.300111.7
622R41.7Very low42.3Very low234 Ų234146.7 Ų146.788%0.88382%0.821SS**  trans-75.8142.3175.5-61.4154.9153.1175-8.5112.8
623L47.9Very low42.5Very low168 Ų168146.7 Ų146.788%0.8882%0.821SS**  trans-147.6118.4142-86.2-170.9000112.6
624S36.4Very low42.6Very low111 Ų111142.4 Ų142.478%0.77682%0.819SS**  trans-110132.4167.2-520000109.5
625K45Very low42.5Very low208 Ų208145.8 Ų145.890%0.90482%0.823SS**  trans-159.7149.6161.3-109.6144.5-171.1176.70113.2
626K42.5Very low43Very low191 Ų191144.6 Ų144.683%0.8382%0.818SS**  trans-76.2151.8179.6-56.5171-179.5176.70110.4
627L45.9Very low42.9Very low152 Ų152145.4 Ų145.480%0.79681%0.809SS**  trans-129.7105.5155.5-73.6179.9000109.9F629L627-F629 HydrophobicContact CD2-CE2 3.93Å; L627-F629 HydrophobicContact CD2-CZ 4.45Å
628S39Very low43.1Very low109 Ų109146.1 Ų146.176%0.76281%0.808SS**  trans-120.1107168.853.50000107.8
629F50.8Low43.3Very low194 Ų194148.4 Ų148.485%0.85181%0.813SS**  trans-101.6122.6177.2-83-75.6000111L627L627-F629 HydrophobicContact CD2-CE2 3.93Å; L627-F629 HydrophobicContact CD2-CZ 4.45Å
630G38Very low43.4Very low68 Ų68143.5 Ų143.570%0.70180%0.795SS**  trans-155.7133162.400000109
631S42.3Very low43.6Very low105 Ų105148.2 Ų148.273%0.73481%0.805SS**  trans169.2139.2159.4-88.60000111.2
632K44.4Very low43.4Very low194 Ų194142.5 Ų142.584%0.84380%0.798SS**  trans65.6152.5148.4-67170.3-174.9179.50118
633S41.6Very low43.6Very low113 Ų113139.8 Ų139.879%0.7980%0.801SS**  cis173.5131.2-39.945.80000106.3
634G45.2Very low43.6Very low86 Ų86137.1 Ų137.189%0.88779%0.794SS**  trans-151.8128.217500000110.9
635K41.8Very low44.5Very low175 Ų175138.1 Ų138.176%0.76180%0.797SS**  trans-135.8125.1-173.2-178.6-162.9176.4-146.60110.2E637K635-E637 WeakPolarHBondContact CE-OE1 3.43Å; K635-E637 IonicContact NZ-OE1 2.94Å; K635-E637 PolarHBondContact NZ-OE1 2.74Å
636K49.3Very low44.5Very low186 Ų186136.6 Ų136.681%0.80979%0.793SS**  trans-174.2120.2155.1-101.8169.7177.9-172.90105.7
637E42.4Very low44.8Very low130 Ų130132.4 Ų132.461%0.60779%0.785SS**  88.7150.856.1-71.6165.5-169.500112.8K635K635-E637 WeakPolarHBondContact CE-OE1 3.43Å; K635-E637 IonicContact NZ-OE1 2.94Å; K635-E637 PolarHBondContact NZ-OE1 2.74Å
638S44.2Very low45Very low119 Ų119132.7 Ų132.783%0.83279%0.787SS**  trans77.6121.2-163.5-56.40000114.7
639S43.5Very low45.1Very low116 Ų116132.6 Ų132.681%0.81179%0.786SS**  cis85.612941.8-165.20000111.5
640S47.3Very low45.1Very low89 Ų89128.9 Ų128.962%0.62278%0.782SS**  cis-158164.97.8530000115
641N41.4Very low45.1Very low167 Ų167130.7 Ų130.789%0.89378%0.783SS**  trans63.6131.9146.9-61.9-10.4000122.9
642G40.8Very low45.3Very low77 Ų77130.4 Ų130.479%0.79479%0.787SS**  trans170.399.8166.900000112.1
643L46.2Very low45.1Very low178 Ų178130 Ų13093%0.93279%0.786SS**  trans-95.1149.7-171.1-68.3167.1000113.9
644P47.1Very low45.1Very low112 Ų112131 Ų13173%0.72779%0.787SS**  trans-120147.514836.8-27.8000112.4
645P56.7Low44.8Very low131 Ų131137 Ų13785%0.85179%0.789SS**  trans-86.7141.1178.833.2-33.8000114.2
646Q45Very low44.4Very low177 Ų177132.5 Ų132.583%0.82779%0.793SS**  trans-96.3-172.1155.8-112.1-164.537.900108.7
647P47.9Very low43.8Very low102 Ų102127.8 Ų127.866%0.66280%0.797SS**  cis-115.9-148.910.319.48.8000111.2
648L50.6Low43.8Very low158 Ų158127.1 Ų127.183%0.82781%0.806SS**  cis-146.8175.421.4-91.2171.5000113.7
649S41.1Very low43.3Very low107 Ų107126.1 Ų126.175%0.74880%0.8SS**  trans-127.1-170.5178.6-570000108.3
650P50.5Low43.2Very low116 Ų116127.4 Ų127.475%0.75380%0.803SS**  cis-146.4166.95.344.1-24.7000119.5
651S38.6Very low42.5Very low106 Ų106128.1 Ų128.174%0.74181%0.814SS**  trans52.2117.1135177.40000123.1
652A45.3Very low42.2Very low99 Ų99125.8 Ų125.882%0.81881%0.811SS**  trans-146.8160131.500000111.5
653K40.1Very low41.9Very low186 Ų186127 Ų12781%0.80981%0.807SS**  trans-100.7159-179.6-61.8168.4-175.8169.90108.8
654T42.7Very low41.6Very low133 Ų133127.1 Ų127.182%0.81681%0.808SS**  -169.4153.865.439.50000115.6
655K38.3Very low41.4Very low212 Ų212129.6 Ų129.692%0.92281%0.813SS**  trans11.7138.1152.5-64.4179.3173.7179.60121.1
656G34Very low40.6Very low82 Ų82128.3 Ų128.385%0.84581%0.807SS**  131.146127.800000120.6
657G36.2Very low40.5Very low87 Ų87128.9 Ų128.990%0.89781%0.81SS**PPolyproline II helixtrans-88.8120.7173.400000113.8
658S41.3Very low40.1Very low115 Ų115132.5 Ų132.580%0.80482%0.823SS**PPolyproline II helixtrans-86.6154.9178-171.80000113.3
659S35.6Very low39.4Very low99 Ų99130.5 Ų130.569%0.69282%0.822SS**PPolyproline II helixtrans-74.1141.6164.755.30000112.1
660T40.3Very low39.2Very low142 Ų142130 Ų13087%0.87182%0.824SS**  178.5123.1121.928.30000109.2
661A32.5Very low38.5Very low104 Ų104130.1 Ų130.186%0.8683%0.828SS**  trans-131.389.4175.800000109.7
662S35.2Very low38.5Very low119 Ų119133 Ų13383%0.83283%0.834SS**  trans-153.6149.8-179.6-78.10000110.7
663S35.5Very low38.1Very low103 Ų103136.7 Ų136.772%0.7283%0.834SS**  trans72.789.5175.3-159.30000117.6
664L38.7Very low38.3Very low179 Ų179136.3 Ų136.394%0.93784%0.839SS**  trans-141.322.1163.2-85.9-177.5000113.6
665I43.8Very low38.2Very low165 Ų165133.4 Ų133.485%0.84684%0.835SS**SBendtrans-135.860.6-176.3-43.5-179.3000111.6
666S40.6Very low38.1Very low103 Ų103128.4 Ų128.472%0.7283%0.827SS**SBendtrans-147.515.7-178.7-55.20000116.2
667Q42.1Very low38.7Very low189 Ų189136.6 Ų136.688%0.88383%0.832SS**  trans-132.524.3-166.9-73.1-169.3-20.200116.9
668L38.5Very low38.9Very low179 Ų179141.8 Ų141.894%0.93783%0.83SS**  trans-122.655.6179-68.6177.9000113.6
669S35.9Very low39.1Very low116 Ų116141.6 Ų141.681%0.81183%0.829SS**  trans-16268.4174.361.80000114.8
670A38.2Very low39.5Very low95 Ų95145.8 Ų145.879%0.78584%0.835SS**  trans-157.1138.1164.600000113.9
671S35.1Very low39.4Very low119 Ų119149.3 Ų149.383%0.83283%0.832SS**  trans42.3106.3151.5-58.50000121.3
672L39.9Very low39.9Very low167 Ų167152.7 Ų152.787%0.87483%0.83SS**  trans-128.5108.7135.6-107.2170.6000109.8
673H36.5Very low40.2Very low176 Ų176155.2 Ų155.282%0.81583%0.829SS**  trans-148.7169.9171.2-99.241.3000106.5
674I44Very low40.4Very low179 Ų179158.4 Ų158.492%0.91883%0.832SS**  trans78.7132.6-169.4-48.9162.3000111.2
675G40.2Very low40.7Very low72 Ų72156.2 Ų156.274%0.74283%0.829SS**  cis-159.5165.81.800000114.2
676S36.4Very low40.5Very low106 Ų106152.1 Ų152.174%0.74182%0.819SS**  trans-94.1153.6-175.376.10000113.5
677R46.4Very low40.6Very low254 Ų254153.5 Ų153.596%0.95882%0.823SS**  trans-135.6151.5157.9-71.6-166.4171.8-152.3-2.5110.3
678K41.2Very low40.7Very low196 Ų196151.8 Ų151.885%0.85282%0.819SS**  trans-117.5139-170.2-61.5174.2178.1175.60112.5
679S43.9Very low40.8Very low111 Ų111147.6 Ų147.678%0.77681%0.81SS**  trans-174.8129.1144.5-1090000107.8
680K44Very low41.3Very low187 Ų187148.1 Ų148.181%0.81381%0.814SS**  80.3127.454.4-171.7-172.5-177.5-174.40111.3
681R38.9Very low41.5Very low217 Ų217148.7 Ų148.782%0.81981%0.812SS**  cis180131.4-11.1166.3-161.1-167.7-154.39.9108.9
682Q43Very low42Very low175 Ų175149.7 Ų149.782%0.81881%0.813SS**  trans170.6153.7158.1-100.8164.2-20.400109.5
683Q42.3Very low42Very low171 Ų171147.1 Ų147.180%0.79981%0.806SS**  cis-158.9157.4-28.8-137.3168-17.900109.1
684Q38.3Very low42.4Very low171 Ų171147 Ų14780%0.79981%0.811SS**  trans-115.6172.5172.5-71.7-173.8-24.300110.9
685P45Very low42.5Very low133 Ų133144 Ų14486%0.86480%0.801SS**  -131.5-172.8108.234.6-22.9000113.5
686A39.8Very low42.7Very low78 Ų78151.3 Ų151.365%0.64581%0.806SS**  trans-152156.3-16900000115.4
687T43.7Very low43.3Very low132 Ų132155.1 Ų155.181%0.8181%0.809SS**  trans-141.1112.2175.7-54.50000107.1
688I43.8Very low43.1Very low153 Ų153150.8 Ų150.879%0.78581%0.805SS**  73.6133.163.9-61165.7000112
689A40.3Very low43.3Very low92 Ų92153.1 Ų153.176%0.7681%0.809SS**  cis-172.6163.2-25.400000108.5
690S46.6Very low43.2Very low127 Ų127153 Ų15389%0.88881%0.814SS**  trans169.1163.9141.1-166.80000111.1
691S42.2Very low43.5Very low106 Ų106149.1 Ų149.174%0.74181%0.811SS**  trans-153.5144.6-167.154.90000115.1
692V46Very low44.1Very low140 Ų140145 Ų14585%0.84881%0.809SS**  trans-148123.3156-1760000109.7
693P39.7Very low44Very low114 Ų114145.9 Ų145.974%0.7481%0.811SS**  trans-109.2143.4169.936.5-28.1000112.4
694L45.4Very low44.8Very low173 Ų173143 Ų14391%0.90681%0.805SS**  trans-139148.1163.8-100.7174.6000111.9
695T44.7Very low46.3Very low116 Ų116140.4 Ų140.471%0.71280%0.802SS**  trans-113151.9-167.860.90000112.1
696R45.4Very low46.9Very low226 Ų226142.6 Ų142.685%0.85380%0.801SS**  178.6119.7125.9-95.9155.6-172.3-152.22.3115.3
697K47.9Very low47.8Very low186 Ų186144.1 Ų144.181%0.80980%0.798SS**  trans52.398.3132.8-61-175.7176.6-174.80120.1
698N43.9Very low48.9Very low163 Ų163143.3 Ų143.387%0.87280%0.796SS**  29.1116.5119.2-54.14.6000119
699R44.4Very low49.6Very low245 Ų245144.1 Ų144.193%0.92579%0.794SS**  -144.5128.1129.6-161.9167.8-174151.70.7109.4
700A42.3Very low49.7Very low107 Ų107142.5 Ų142.588%0.88479%0.786SS**  trans-71.1132.9179.200000110.4
701S48.8Very low49.8Very low107 Ų107144.8 Ų144.875%0.74879%0.789SS**  trans-126.1136.6167.4-171.10000108.4F703S701-F703 PolarHBondContact O-N 3.08Å
702V53.2Low50.4Low130 Ų130144.3 Ų144.379%0.78879%0.785SS**  trans-80.7114.6176.6176.30000107.7V704V702-V704 PolarHBondContact O-N 3.14Å
703F40.4Very low50.4Low193 Ų193147.1 Ų147.185%0.84679%0.786SS**  trans-65.896.6173.3-100.6-87.6000110.4S701S701-F703 PolarHBondContact O-N 3.08Å
704V58.7Low50.4Low111 Ų111146.3 Ų146.367%0.67380%0.798SS**PPolyproline II helixtrans-78.4128.2152.2-179.60000106.3V702 E706V702-V704 PolarHBondContact O-N 3.14Å; V704-E706 PolarHBondContact O-N 2.94Å
705P70Confident50.2Low116 Ų116140.6 Ų140.675%0.75378%0.782SS**PPolyproline II helixtrans-60.5121.6174.3-23.234.2000110.4N707P705-N707 PolarHBondContact O-N 3.02Å
706E56.7Low50.5Low180 Ų180143.5 Ų143.584%0.84179%0.792SS**PPolyproline II helixtrans-63135175.1-72177.2111.100110.2V704 P708V704-E706 PolarHBondContact O-N 2.94Å; E706-P708 WeakPolarHBondContact O-CD 3.47Å
707N58.9Low50.5Low109 Ų109138 Ų13858%0.58378%0.779SS**PPolyproline II helixtrans-69.2118.5170.4172.718.5000108.6P705 F709P705-N707 PolarHBondContact O-N 3.02Å; N707-F709 PolarHBondContact ND2-O 3.48Å; N707-F709 PolarHBondContact O-N 2.88Å; N707-F709 VanDerWaalsContact O-N 3.1Å; N707-F709 PolarHBondContact OD1-N 2.81Å
708P66.8Low50.8Low116 Ų116134.7 Ų134.775%0.75378%0.777SS**SBendtrans-69.2-6.9-179.529.5-35.8000113.6E706E706-P708 WeakPolarHBondContact O-CD 3.47Å
709F59.1Low51Low169 Ų169134.5 Ų134.574%0.74178%0.775SS**SBendtrans-101.285.1169.8-60-78.6000109.7N707N707-F709 PolarHBondContact ND2-O 3.48Å; N707-F709 PolarHBondContact O-N 2.88Å; N707-F709 VanDerWaalsContact O-N 3.1Å; N707-F709 PolarHBondContact OD1-N 2.81Å
710G42Very low51.1Low59 Ų59127.8 Ų127.861%0.60876%0.764SS**  trans-62.6147.4179.600000113.1S712G710-S712 PolarHBondContact O-N 2.87Å
711D49Very low51.6Low175 Ų175131.2 Ų131.294%0.93676%0.762SS**SBendtrans-64.495170.9-87-53.3000109.8
712S54Low51.6Low95 Ų95131.9 Ų131.966%0.66476%0.764SS**  trans-154.1126177.6-77.20000110G710G710-S712 PolarHBondContact O-N 2.87Å
713F46.2Very low51.2Low199 Ų199133.8 Ų133.887%0.87377%0.769SS**  trans56.562.5175.7-60.8-78.4000116.2G715F713-G715 PolarHBondContact O-N 3.3Å
714G41.3Very low51.6Low97 Ų97131.9 Ų131.9100%177%0.767SS**  trans-64.371144.700000111.1
715G41Very low50.8Low54 Ų54132.8 Ų132.856%0.55777%0.774SS**  trans-147.3138.8-177.100000112F713F713-G715 PolarHBondContact O-N 3.3Å
716L49.5Very low49.6Very low176 Ų176138.4 Ų138.492%0.92178%0.78SS**  trans5373.3175.9-62.7172.7000115.5P718L716-P718 VanDerWaalsContact O-CD 3.31Å; L716-P718 WeakPolarHBondContact O-CD 3.46Å
717N47Very low48.9Very low111 Ų111137.3 Ų137.359%0.59478%0.78SS**  trans-75.5113.1155.8178.7-6.2000109L719N717-L719 PolarHBondContact O-N 3Å; N717-L719 PolarHBondContact OD1-N 3.01Å
718P52.7Low48.1Very low116 Ų116143.5 Ų143.575%0.75380%0.795SS**THydrogen-bonded Turntrans-76.5-3.1-17231.9-36.4000114.4L716L716-P718 VanDerWaalsContact O-CD 3.31Å; L716-P718 WeakPolarHBondContact O-CD 3.46Å
719L49.9Very low46.9Very low159 Ų159148.8 Ų148.883%0.83280%0.8SS**THydrogen-bonded Turntrans-94.213.8-175.4-70.5168000114.6N717N717-L719 PolarHBondContact O-N 3Å; N717-L719 PolarHBondContact OD1-N 3.01Å
720C45.4Very low46.2Very low104 Ų104146.4 Ų146.470%0.70380%0.799SS**  trans-12663.4179.5-71.90000112.9
721Q52.6Low46.3Very low180 Ų180151 Ų15184%0.84180%0.803SS**  trans-105.7134.3161-72.1-162-400111.1
722P48.7Very low46Very low121 Ų121152 Ų15279%0.78679%0.793SS**  trans-76.9129.5178.130.5-33.2000111.4N724P722-N724 PolarHBondContact O-N 3.17Å
723L44.9Very low45.5Very low170 Ų170153.1 Ų153.189%0.8980%0.796SS**  trans-67.590.8171.4-76169000110.6T725L723-T725 PolarHBondContact O-N 2.9Å
724N49.8Very low45.3Very low152 Ų152147.9 Ų147.981%0.81379%0.79SS**  trans-82.6100.9179.1-164.1-1.6000110.6P722 R726P722-N724 PolarHBondContact O-N 3.17Å; N724-R726 PolarHBondContact O-N 2.97Å
725T41.4Very low45.3Very low131 Ų131151.7 Ų151.780%0.80478%0.781SS**  trans-84.8110.5-174.844.10000112.2L723L723-T725 PolarHBondContact O-N 2.9Å
726R44.6Very low45.5Very low233 Ų233156.9 Ų156.988%0.87979%0.793SS**  trans-141.895.9170.2-163.9166.1-177.2155.1-1.2113.9N724N724-R726 PolarHBondContact O-N 2.97Å
727N41.7Very low45.2Very low157 Ų157152.5 Ų152.584%0.8478%0.782SS**  trans-65134.3167-74.7-38.4000111.6
728R41.5Very low45Very low239 Ų239155.9 Ų155.990%0.90279%0.792SS**  trans-17190141.2-106169.9-166.8-150.22.7113.6
729R43Very low44.5Very low227 Ų227157.2 Ų157.286%0.85779%0.788SS**  34.7129.4127.5-140.9-178.1-170.7176.52.7120
730T43.9Very low44Very low119 Ų119155.8 Ų155.873%0.7378%0.781SS**  trans67.4148.6147.241.30000119.6
731K44.4Very low43.8Very low157 Ų157156.8 Ų156.868%0.68378%0.784SS**  cis-172.2154.2-15.9-169.3179.5-179.9178.70110.4
732R43.7Very low43.2Very low195 Ų195154.1 Ų154.174%0.73678%0.779SS**  trans77.8119.8151.1-105.4174.7-172.1170.9-2.6121.5
733T41.6Very low42.9Very low119 Ų119154.2 Ų154.273%0.7378%0.777SS**  52.9111.6129.453.90000122.9
734A42.5Very low42.7Very low89 Ų89151.7 Ų151.774%0.73677%0.765SS**  82.9136111.300000122.6
735E41.6Very low42.6Very low176 Ų176152.3 Ų152.382%0.82276%0.76SS**  trans79139.4148.5-81.2-178.6-154.500124
736M45.6Very low42.6Very low164 Ų164152.1 Ų152.181%0.80876%0.755SS**  trans50.4118146.2-63.2-59.3-178.500122.5
737A42Very low42.6Very low84 Ų84147.5 Ų147.569%0.69475%0.747SS**  58.8114.4126.500000121.3
738K44.4Very low43Very low181 Ų181147.3 Ų147.379%0.78775%0.746SS**  trans63.7132.3135.6-71.3-170.3171.8-166.80121.1
739E41.2Very low43.1Very low144 Ų144144.7 Ų144.767%0.67374%0.741SS**  trans74.6117.3141.9-73.8-17687.500120.8
740N40.5Very low43.5Very low129 Ų129141.8 Ų141.869%0.6974%0.742SS**  trans79.4122.2132-60.2-20.1000121.1
741V40.4Very low43.5Very low126 Ų126142.2 Ų142.276%0.76474%0.74SS**  85.5101.3127.7170.70000119.6
742V40Very low43.4Very low123 Ų123141.6 Ų141.675%0.74574%0.744SS**  79.9109.4124.9169.60000121.4
743V42.8Very low43.5Very low123 Ų123136.2 Ų136.275%0.74575%0.749SS**  trans85123.2131.1167.80000123.1
744D40.8Very low43.6Very low117 Ų117136.2 Ų136.263%0.62675%0.754SS**  trans55.9133.5143.1-80.11.1000127.9
745K47.2Very low44Very low165 Ų165140.3 Ų140.372%0.71776%0.76SS**  92.1126.8128.3-77.3172-178.7120.90123.9
746N42Very low44.1Very low128 Ų128140.1 Ų140.168%0.68476%0.759SS**  trans78.2131.8135.3-71.139.3000124
747D43Very low44.4Very low136 Ų136141.4 Ų141.473%0.72776%0.76SS**  trans42.9139.6135-50.4-52.6000120.7
748D50.6Low44.6Very low153 Ų153141.9 Ų141.982%0.81876%0.759SS**  -164.1-165.564.4-144.6-35.8000114.8
749K43.3Very low44.6Very low183 Ų183141.3 Ų141.380%0.79676%0.763SS**  trans-101.8174.2-171-60.4167.9-178.6165.30115
750L53.1Low45Very low166 Ų166140.4 Ų140.487%0.86977%0.77SS**  trans161.1176.3132.6-84.3169.4000111.4
751N43.4Very low45Very low128 Ų128139.4 Ų139.468%0.68477%0.773SS**  -157.6176.2-78.8-164.513.7000111.8
752N42.5Very low45Very low145 Ų145138.5 Ų138.578%0.77577%0.772SS**  trans85.2139.8155-64-31.8000122.7
753G45.3Very low45.1Very low81 Ų81140.1 Ų140.184%0.83578%0.776SS**  trans161.4124.6167.100000110.9
754S44.3Very low45Very low120 Ų120138.8 Ų138.884%0.83977%0.772SS**  trans-151.6176.2-156.2-163.90000116.4
755M50.6Low44.8Very low174 Ų174141.1 Ų141.186%0.85778%0.784SS**  trans74.5163171.4-60.4-174.7-175.800119.3
756E42.9Very low44.5Very low173 Ų173139.2 Ų139.281%0.80879%0.792SS**  -171.5-177.6-52.8-133.9-178.4-155.300110.9
757K52Low44.3Very low191 Ų191138.9 Ų138.983%0.8380%0.799SS**  trans83.1152.6171.4-53.4173.1-176175.90118.3
758S46.9Very low44.5Very low94 Ų94137.5 Ų137.566%0.65780%0.8SS**  -178.8127.3-52.548.50000113.4
759L44.3Very low44Very low168 Ų168137.1 Ų137.188%0.8880%0.804SS**  trans62.5170.8150.1-64.8172.3000119.8
760P49.8Very low43.9Very low125 Ų125132.2 Ų132.281%0.81281%0.806SS**  cis-123.7-148.2-12.625.3-0.4000114.1
761S39.6Very low43.4Very low108 Ų108131.6 Ų131.676%0.75580%0.798SS**  trans-140.3-166.7-15260.20000116.2
762S40.4Very low43.4Very low108 Ų108134.5 Ų134.576%0.75580%0.801SS**  trans82.8152.5174.879.80000116
763L42.8Very low43.2Very low157 Ų157133.8 Ų133.882%0.82280%0.797SS**  cis-146.2174.214-75.7167.5000108.5
764S40.5Very low42.8Very low94 Ų94136.3 Ų136.366%0.65780%0.796SS**  cis176.2130-32.161.10000108.5
765N37.3Very low42.8Very low167 Ų167137.2 Ų137.289%0.89380%0.797SS**  trans-3.6143.4165.6-49.3-12.6000122.2
766S40.1Very low42.4Very low124 Ų124133.5 Ų133.587%0.86779%0.788SS**  trans-156.8163.2144.154.60000110.8
767S37.9Very low42.5Very low121 Ų121130.2 Ų130.285%0.84678%0.784SS**  trans-163.2127.8-167.656.50000116.4
768S46.6Very low42.3Very low107 Ų107126.6 Ų126.675%0.74878%0.78SS**  trans-166138.515954.30000109.5
769T40.9Very low42.2Very low145 Ų145128.1 Ų128.189%0.8979%0.788SS**  cis67.8108.441.370.10000114.8
770G40.6Very low42.1Very low81 Ų81126.5 Ų126.584%0.83579%0.789SS**  trans-179.4125.5173.200000109.8
771E42.7Very low41.4Very low152 Ų152126.9 Ų126.971%0.7179%0.789SS**  trans-115.6-177.3-171.4-66.3174.2115.600111.9
772Y43.1Very low41.4Very low189 Ų189131 Ų13174%0.74179%0.793SS**  trans98.8140.5155.5-53.9-64.1000121.4
773D37.9Very low41.5Very low131 Ų131130.9 Ų130.970%0.70179%0.793SS**  trans71.971.7148.1-58.8-11.6000123.7
774T38.3Very low41.4Very low133 Ų133134.4 Ų134.482%0.81680%0.795SS**  31.489.4100.3-41.40000119.3
775V43.7Very low41.4Very low140 Ų140135.1 Ų135.185%0.84880%0.801SS**  trans-138.8109.6151-1620000114.2
776S41.9Very low41.7Very low96 Ų96133 Ų13367%0.67180%0.796SS**  trans-8.3135.4155.1-159.50000122.6
777S44.6Very low41.6Very low104 Ų104132 Ų13273%0.72779%0.789SS**  trans70.7164.4139.6-63.40000121.2
778P49.1Very low42.1Very low115 Ų115134.2 Ų134.275%0.74779%0.79SS**  cis-127.1179.3-39.135.6-18000112.2
779P45.3Very low41.8Very low126 Ų126140.6 Ų140.682%0.81880%0.798SS**PPolyproline II helixtrans-90.9146-161.834.7-35.7000116.7
780C40.8Very low41.9Very low134 Ų134139 Ų13991%0.90579%0.793SS**PPolyproline II helixtrans-95.7124.5166.8-73.50000112.7
781T36.1Very low42.1Very low133 Ų133140.1 Ų140.182%0.81679%0.785SS**PPolyproline II helixtrans-91.9132.3164.452.90000110.4
782F39.7Very low41.9Very low193 Ų193138.2 Ų138.285%0.84679%0.789SS**  trans-143.9122.5174.3-140.5-104.1000116.9
783S40.9Very low42.2Very low107 Ų107135.5 Ų135.575%0.74879%0.787SS**  trans68.9165.2151.874.90000120.8
784R41Very low42.6Very low230 Ų230135 Ų13587%0.86879%0.794SS**  trans-133.5148.5-173.4-76.6174.8157.6-166.3-3.2110.7
785S40Very low43Very low110 Ų110132 Ų13277%0.76979%0.789SS**  trans68.5156.8157.4-50.60000115.4
786P45.6Very low43.2Very low123 Ų123133.7 Ų133.780%0.79979%0.785SS**  -117.9165.570.237.8-34.5000115
787S37.6Very low44Very low102 Ų102134.1 Ų134.171%0.71378%0.78SS**  trans-94.3126.6174.1160.60000110.6
788L47.1Very low44.9Very low168 Ų168133.9 Ų133.988%0.8878%0.778SS**  trans-108.9124.2166.9-66.6177.1000110.5
789R41.2Very low46Very low240 Ų240136.7 Ų136.791%0.90678%0.778SS**  trans-119.2119.9172.1-96-171.7168-154.4-0.1109.2
790S43.2Very low47.4Very low112 Ų112133 Ų13378%0.78376%0.756SS**  trans-165.6164.8163.361.60000108.9
791P43.8Very low48.9Very low105 Ų105131.5 Ų131.568%0.68274%0.744SS**  -119173.1-70.335.7-24.6000112.3L793P791-L793 PolarHBondContact O-N 3Å
792S38.7Very low50.6Low112 Ų112131.2 Ų131.278%0.78374%0.737SS**  trans-72.6111.7179.149.10000112.6S794S792-S794 PolarHBondContact O-N 2.96Å; S792-S794 VanDerWaalsContact O-N 3.15Å
793L49.8Very low52Low132 Ų132129.2 Ų129.269%0.69173%0.725SS**  trans-86.467.8-178.2-72.5172.3000113.9P791 G795 F796P791-L793 PolarHBondContact O-N 3Å; L793-G795 PolarHBondContact O-N 2.92Å; L793-F796 HydrophobicContact CD1-CD2 4.45Å; L793-F796 HydrophobicContact CD1-CE2 4.26Å; L793-F796 HydrophobicContact CD2-CE2 4.35Å
794S45.3Very low53.2Low121 Ų121130.8 Ų130.885%0.84672%0.72SS**THydrogen-bonded Turntrans-79.986.5162.254.50000110S792S792-S794 PolarHBondContact O-N 2.96Å; S792-S794 VanDerWaalsContact O-N 3.15Å
795G47.2Very low54.7Low69 Ų69123.3 Ų123.371%0.71170%0.7SS**THydrogen-bonded Turntrans174.5-4.4178.900000119L793 N797L793-G795 PolarHBondContact O-N 2.92Å; G795-N797 PolarHBondContact O-N 2.87Å
796F49.3Very low56Low176 Ų176122.7 Ų122.777%0.77269%0.687SS**  trans-76.395.1-177.7-101.2-87.7000113.1L793L793-F796 HydrophobicContact CD1-CD2 4.45Å; L793-F796 HydrophobicContact CD1-CE2 4.26Å; L793-F796 HydrophobicContact CD2-CE2 4.35Å
797N56.9Low56.8Low105 Ų105118.7 Ų118.756%0.56166%0.662SS**  trans-79.7132173.3-170.7-22.9000111G795 K799G795-N797 PolarHBondContact O-N 2.87Å; N797-K799 PolarHBondContact O-N 3.13Å; N797-K799 VanDerWaalsContact O-N 3.13Å; N797-K799 WeakPolarHBondContact OD1-CG 3.5Å; N797-K799 PolarHBondContact OD1-N 3.31Å
798S64.1Low57.8Low99 Ų99117 Ų11769%0.69265%0.65SS**THydrogen-bonded Turntrans-71.9-1.7-174.854.50000115.3
799K71.6Confident58.3Low174 Ų174116.9 Ų116.976%0.75764%0.643SS**THydrogen-bonded Turntrans-85.75.2-176-65.2-177179-175.70115.5N797N797-K799 PolarHBondContact O-N 3.13Å; N797-K799 VanDerWaalsContact O-N 3.13Å; N797-K799 WeakPolarHBondContact OD1-CG 3.5Å; N797-K799 PolarHBondContact OD1-N 3.31Å
800S74.6Confident58.9Low49 Ų49111.9 Ų111.934%0.34363%0.633SS.*  trans-75.5135.7-176.877.80000113L802 Y803S800-L802 VanDerWaalsContact C-N 3.28Å; S800-L802 PolarHBondContact O-N 3.29Å; S800-Y803 PolarHBondContact O-N 2.89Å; S800-Y803 VanDerWaalsContact O-N 3.07Å
801P72.8Confident59.4Low101 Ų101116.5 Ų116.566%0.65663%0.633SS**Hα-helixtrans-59.2-34.5-178.8-27.835.7000114.1Y803 Q804 T805P801-Y803 PolarHBondContact O-N 2.81Å; P801-Q804 PolarHBondContact O-N 3.02Å; P801-Q804 VanDerWaalsContact O-N 3.09Å; P801-T805 PolarHBondContact O-N 3.47Å; P801-T805 PolarHBondContact O-OG1 3.16Å
802L71.5Confident59.3Low128 Ų128116.6 Ų116.667%0.6764%0.635SS**Hα-helixtrans-56.8-36.9175.7-92.8163.6000112.6S800 Q804 T805 I806S800-L802 VanDerWaalsContact C-N 3.28Å; S800-L802 PolarHBondContact O-N 3.29Å; L802-Q804 VanDerWaalsContact C-N 3.35Å; L802-T805 PolarHBondContact O-N 3.15Å; L802-I806 WeakPolarHBondContact O-CG1 3.49Å; L802-I806 PolarHBondContact O-N 3.39Å
803Y69.3Low60.1Low150 Ų150114 Ų11459%0.58862%0.617SS**Hα-helixtrans-69.5-33.3178.6-157.6-89.6000112.2S800 P801 S807S800-Y803 PolarHBondContact O-N 2.89Å; S800-Y803 VanDerWaalsContact O-N 3.07Å; P801-Y803 PolarHBondContact O-N 2.81Å; Y803-S807 WeakPolarHBondContact O-CB 3.4Å; Y803-S807 PolarHBondContact O-N 2.81Å; Y803-S807 PolarHBondContact O-OG 2.95Å
804Q67.7Low61.5Low140 Ų140111.2 Ų111.265%0.65461%0.605SS**Hα-helixtrans-68.6-45172.6-66-170.4-3.400111.6P801 L802 I806 S807 S808P801-Q804 PolarHBondContact O-N 3.02Å; P801-Q804 VanDerWaalsContact O-N 3.09Å; L802-Q804 VanDerWaalsContact C-N 3.35Å; Q804-I806 VanDerWaalsContact C-N 3.32Å; Q804-I806 PolarHBondContact O-N 3.35Å; Q804-S807 PolarHBondContact O-N 2.83Å; Q804-S808 PolarHBondContact O-N 3.49Å; Q804-S808 PolarHBondContact O-OG 3.2Å
805T71.8Confident63Low73 Ų73111.3 Ų111.345%0.44859%0.593SS.*Hα-helixtrans-63.8-34.2179.3-57.90000113.1P801 L802 S808 K809P801-T805 PolarHBondContact O-N 3.47Å; P801-T805 PolarHBondContact O-OG1 3.16Å; L802-T805 PolarHBondContact O-N 3.15Å; T805-S808 PolarHBondContact O-OG 3.14Å; T805-S808 VanDerWaalsContact O-OG 3.09Å; T805-K809 WeakPolarHBondContact O-CG 3.23Å; T805-K809 PolarHBondContact O-N 2.88Å
806I67.4Low64.5Low97 Ų97111.8 Ų111.850%0.49759%0.585SS.*Hα-helixtrans-74.9-43.2173.3-66.3167.7000110.3L802 Q804 S808 K809 I810L802-I806 WeakPolarHBondContact O-CG1 3.49Å; L802-I806 PolarHBondContact O-N 3.39Å; Q804-I806 VanDerWaalsContact C-N 3.32Å; Q804-I806 PolarHBondContact O-N 3.35Å; I806-S808 VanDerWaalsContact C-N 3.31Å; I806-S808 PolarHBondContact O-N 3.4Å; I806-K809 PolarHBondContact O-N 2.82Å; I806-I810 HydrophobicContact CG2-CD1 3.75Å; I806-I810 WeakPolarHBondContact O-CG1 3.48Å; I806-I810 PolarHBondContact O-N 3.23Å
807S61.2Low65.8Low39 Ų39108.4 Ų108.427%0.27357%0.572SS.*Hα-helixtrans-64.3-30.2178.8-650000113.9Y803 Q804 R811Y803-S807 WeakPolarHBondContact O-CB 3.4Å; Y803-S807 PolarHBondContact O-N 2.81Å; Y803-S807 PolarHBondContact O-OG 2.95Å; Q804-S807 PolarHBondContact O-N 2.83Å; S807-R811 WeakPolarHBondContact O-CD 3.46Å; S807-R811 WeakPolarHBondContact O-CG 3.45Å
808S59Low66.9Low66 Ų66109.6 Ų109.646%0.46257%0.572SS.*Hα-helixtrans-74.8-46.7175.859.60000111.6Q804 T805 I806 I810 R811Q804-S808 PolarHBondContact O-N 3.49Å; Q804-S808 PolarHBondContact O-OG 3.2Å; T805-S808 PolarHBondContact O-OG 3.14Å; T805-S808 VanDerWaalsContact O-OG 3.09Å; I806-S808 VanDerWaalsContact C-N 3.31Å; I806-S808 PolarHBondContact O-N 3.4Å; S808-I810 VanDerWaalsContact C-N 3.29Å; S808-I810 PolarHBondContact O-N 3.03Å; S808-R811 PolarHBondContact O-N 2.76Å; S808-R811 VanDerWaalsContact O-N 3.09Å
809K58.2Low68Low167 Ų167110.3 Ų110.373%0.72656%0.562SS**Hα-helixtrans-61.4-32.5178.6-73.9-173.2176.3-173.60113.6T805 I806 R811T805-K809 WeakPolarHBondContact O-CG 3.23Å; T805-K809 PolarHBondContact O-N 2.88Å; I806-K809 PolarHBondContact O-N 2.82Å; K809-R811 VanDerWaalsContact C-N 3.29Å; K809-R811 PolarHBondContact O-N 3.06Å
810I54.4Low68.6Low135 Ų135106.3 Ų106.369%0.69255%0.552SS**THydrogen-bonded Turntrans-72.1-19.4177.6-67.8169.4000112.8I806 S808I806-I810 HydrophobicContact CG2-CD1 3.75Å; I806-I810 WeakPolarHBondContact O-CG1 3.48Å; I806-I810 PolarHBondContact O-N 3.23Å; S808-I810 VanDerWaalsContact C-N 3.29Å; S808-I810 PolarHBondContact O-N 3.03Å
811R52.6Low68.8Low208 Ų208109.4 Ų109.479%0.78556%0.563SS**THydrogen-bonded Turntrans-88.7-6.5-174.5-74.4176.4179.7-176.61115.1S807 S808 K809 S813S807-R811 WeakPolarHBondContact O-CD 3.46Å; S807-R811 WeakPolarHBondContact O-CG 3.45Å; S808-R811 PolarHBondContact O-N 2.76Å; S808-R811 VanDerWaalsContact O-N 3.09Å; K809-R811 VanDerWaalsContact C-N 3.29Å; K809-R811 PolarHBondContact O-N 3.06Å; R811-S813 VanDerWaalsContact C-N 3.27Å; R811-S813 PolarHBondContact O-N 3.16Å
812C42.8Very low69.5Low108 Ų108109.5 Ų109.573%0.7355%0.554SS**  trans-82.560.6-177.4-63.70000113.1
813S54.5Low70.1Confident57 Ų57109.5 Ų109.540%0.39955%0.551SS.*  trans-73.2131.4167.6-174.90000109.8R811 Q817R811-S813 VanDerWaalsContact C-N 3.27Å; R811-S813 PolarHBondContact O-N 3.16Å; S813-Q817 VanDerWaalsContact OG-CB 3.26Å; S813-Q817 WeakPolarHBondContact OG-CB 3.49Å; S813-Q817 PolarHBondContact OG-OE1 3.28Å
814T78.6Confident70.8Confident73 Ų73105.9 Ų105.945%0.44854%0.541SS..  trans-68.4153.9-178.156.50000111.5S816 Q817 K818T814-S816 PolarHBondContact O-N 2.98Å; T814-S816 VanDerWaalsContact O-N 3.15Å; T814-S816 PolarHBondContact OG1-OG 3.18Å; T814-S816 VanDerWaalsContact OG1-OG 3.09Å; T814-Q817 WeakPolarHBondContact O-CB 3.5Å; T814-Q817 PolarHBondContact O-N 3.04Å; T814-Q817 WeakPolarHBondContact OG1-CG 3.46Å; T814-K818 PolarHBondContact O-N 2.95Å
815E77.9Confident71.5Confident124 Ų124104 Ų10458%0.57954%0.535SS*.Hα-helixtrans-62.4-27.4-178.3-161.9-177122.500112.7K818 K819E815-K818 PolarHBondContact O-N 3.14Å; E815-K819 WeakPolarHBondContact O-CG 3.18Å; E815-K819 PolarHBondContact O-N 3.27Å; E815-K819 WeakPolarHBondContact OE1-CE 3.25Å; E815-K819 IonicContact OE1-NZ 3.13Å; E815-K819 PolarHBondContact OE1-NZ 3.25Å
816S79.2Confident72.2Confident79 Ų79105.7 Ų105.755%0.55254%0.538SS*.Hα-helixtrans-63.2-47.2169.953.70000112.2T814 K818 K819 V820T814-S816 PolarHBondContact O-N 2.98Å; T814-S816 VanDerWaalsContact O-N 3.15Å; T814-S816 PolarHBondContact OG1-OG 3.18Å; T814-S816 VanDerWaalsContact OG1-OG 3.09Å; S816-K818 VanDerWaalsContact C-N 3.32Å; S816-K818 PolarHBondContact O-N 3.2Å; S816-K819 PolarHBondContact O-N 3.49Å; S816-V820 WeakPolarHBondContact O-CG2 3.48Å; S816-V820 PolarHBondContact O-N 3.23Å
817Q75Confident73Confident105 Ų105104.8 Ų104.849%0.49153%0.534SS..Hα-helixtrans-60.6-41173.1-74.5177.7-9.200111.9S813 T814 K819 V820 M821S813-Q817 VanDerWaalsContact OG-CB 3.26Å; S813-Q817 WeakPolarHBondContact OG-CB 3.49Å; S813-Q817 PolarHBondContact OG-OE1 3.28Å; T814-Q817 WeakPolarHBondContact O-CB 3.5Å; T814-Q817 PolarHBondContact O-N 3.04Å; T814-Q817 WeakPolarHBondContact OG1-CG 3.46Å; Q817-K819 PolarHBondContact O-N 3.01Å; Q817-V820 PolarHBondContact O-N 3.18Å; Q817-M821 WeakPolarHBondContact O-CG 3.49Å; Q817-M821 PolarHBondContact O-N 3.02Å
818K81.5Confident74.3Confident130 Ų130110.9 Ų110.957%0.56555%0.551SS**Hα-helixtrans-58.5-47.7175.4-171.2-171.9175.5-167.90111.3T814 E815 S816 M821 E822T814-K818 PolarHBondContact O-N 2.95Å; E815-K818 PolarHBondContact O-N 3.14Å; S816-K818 VanDerWaalsContact C-N 3.32Å; S816-K818 PolarHBondContact O-N 3.2Å; K818-M821 PolarHBondContact O-N 2.85Å; K818-E822 WeakPolarHBondContact O-CB 3.49Å; K818-E822 PolarHBondContact O-N 3.35Å
819K86.4Confident75.6Confident114 Ų114114 Ų11450%0.49656%0.556SS.*Hα-helixtrans-63.9-40177.1-75.4171.9-179164.80112.6E815 S816 Q817 E822 Q823E815-K819 WeakPolarHBondContact O-CG 3.18Å; E815-K819 PolarHBondContact O-N 3.27Å; E815-K819 WeakPolarHBondContact OE1-CE 3.25Å; E815-K819 IonicContact OE1-NZ 3.13Å; E815-K819 PolarHBondContact OE1-NZ 3.25Å; S816-K819 PolarHBondContact O-N 3.49Å; Q817-K819 PolarHBondContact O-N 3.01Å; K819-E822 PolarHBondContact O-N 2.9Å; K819-Q823 WeakPolarHBondContact O-CG 3.37Å; K819-Q823 PolarHBondContact O-N 3.19Å
820V83.7Confident76.9Confident90 Ų90110 Ų11055%0.54555%0.546SS..Hα-helixtrans-64.6-44.9174.31730000111.5S816 Q817 E822 Q823 L824S816-V820 WeakPolarHBondContact O-CG2 3.48Å; S816-V820 PolarHBondContact O-N 3.23Å; Q817-V820 PolarHBondContact O-N 3.18Å; V820-E822 VanDerWaalsContact C-N 3.34Å; V820-E822 PolarHBondContact O-N 2.74Å; V820-Q823 PolarHBondContact O-N 2.9Å; V820-L824 WeakPolarHBondContact O-CB 3.37Å; V820-L824 PolarHBondContact O-N 3.14Å
821M80.6Confident78.3Confident114 Ų114107.9 Ų107.956%0.56253%0.532SS*.Hα-helixtrans-62.9-40.1175.4-74.1-159.7-62.400112.1Q817 K818 L824 L825Q817-M821 WeakPolarHBondContact O-CG 3.49Å; Q817-M821 PolarHBondContact O-N 3.02Å; K818-M821 PolarHBondContact O-N 2.85Å; M821-L824 PolarHBondContact O-N 3.03Å; M821-L825 VanDerWaalsContact O-CB 3.3Å; M821-L825 WeakPolarHBondContact O-CB 3.35Å; M821-L825 PolarHBondContact O-N 2.76Å
822E86.4Confident79.8Confident103 Ų103101.6 Ų101.648%0.48152%0.52SS..Hα-helixtrans-63.9-45177.6-174.8168.5-17700111.8K818 K819 V820 L824 L825 Q826K818-E822 WeakPolarHBondContact O-CB 3.49Å; K818-E822 PolarHBondContact O-N 3.35Å; K819-E822 PolarHBondContact O-N 2.9Å; V820-E822 VanDerWaalsContact C-N 3.34Å; V820-E822 PolarHBondContact O-N 2.74Å; E822-L824 PolarHBondContact O-N 3.02Å; E822-L825 PolarHBondContact O-N 2.95Å; E822-Q826 WeakPolarHBondContact O-CG 3.47Å; E822-Q826 PolarHBondContact O-N 3.07Å
823Q84.4Confident81.9Confident128 Ų128101.9 Ų101.960%0.59851%0.513SS*.Hα-helixtrans-61-43.1172.5-74.2-179.7-9.800112.1K819 V820 L825 Q826 L827K819-Q823 WeakPolarHBondContact O-CG 3.37Å; K819-Q823 PolarHBondContact O-N 3.19Å; V820-Q823 PolarHBondContact O-N 2.9Å; Q823-L825 VanDerWaalsContact C-N 3.25Å; Q823-L825 PolarHBondContact O-N 2.92Å; Q823-Q826 PolarHBondContact O-N 3.4Å; Q823-L827 WeakPolarHBondContact O-CB 3.37Å; Q823-L827 PolarHBondContact O-N 2.95Å
824L84.3Confident83.3Confident74 Ų74101.3 Ų101.339%0.38751%0.505SS..Hα-helixtrans-61.6-35.1176-15891.1000111.9V820 M821 E822 R828V820-L824 WeakPolarHBondContact O-CB 3.37Å; V820-L824 PolarHBondContact O-N 3.14Å; M821-L824 PolarHBondContact O-N 3.03Å; E822-L824 PolarHBondContact O-N 3.02Å; L824-R828 WeakPolarHBondContact O-CG 3.46Å; L824-R828 PolarHBondContact O-N 3.22Å
825L82Confident83.7Confident100 Ų100101.2 Ų101.252%0.52450%0.501SS..Hα-helixtrans-78.9-33.6-179.7-156.2144.5000111.9M821 E822 Q823 R828 K829M821-L825 VanDerWaalsContact O-CB 3.3Å; M821-L825 WeakPolarHBondContact O-CB 3.35Å; M821-L825 PolarHBondContact O-N 2.76Å; E822-L825 PolarHBondContact O-N 2.95Å; Q823-L825 VanDerWaalsContact C-N 3.25Å; Q823-L825 PolarHBondContact O-N 2.92Å; L825-R828 PolarHBondContact O-N 3.39Å; L825-K829 HydrophobicContact CD2-CD 4.43Å; L825-K829 WeakPolarHBondContact O-CG 3.43Å; L825-K829 PolarHBondContact O-N 3.05Å
826Q86Confident84.1Confident108 Ų10898.8 Ų98.851%0.50550%0.498SS..Hα-helixtrans-64.4-44.9167.2-69.9-178.916.900111.4E822 Q823 R828 K829 V830E822-Q826 WeakPolarHBondContact O-CG 3.47Å; E822-Q826 PolarHBondContact O-N 3.07Å; Q823-Q826 PolarHBondContact O-N 3.4Å; Q826-R828 VanDerWaalsContact C-N 3.33Å; Q826-R828 PolarHBondContact O-N 3.05Å; Q826-K829 WeakPolarHBondContact O-CB 3.41Å; Q826-K829 PolarHBondContact O-N 3.48Å; Q826-K829 VanDerWaalsContact O-N 3.15Å; Q826-V830 WeakPolarHBondContact O-CG2 3.41Å; Q826-V830 PolarHBondContact O-N 3Å
827L84.6Confident84.4Confident79 Ų7999.3 Ų99.341%0.41449%0.494SS..Hα-helixtrans-56.2-45.2172.7-84.6161.3000111.7Q823 V830 H831 I866Q823-L827 WeakPolarHBondContact O-CB 3.37Å; Q823-L827 PolarHBondContact O-N 2.95Å; L827-V830 PolarHBondContact O-N 3.22Å; L827-H831 WeakPolarHBondContact O-CB 3.26Å; L827-H831 PolarHBondContact O-N 3.35Å; L827-I866 HydrophobicContact CD2-CD1 4.49Å
828R87.6Confident84.5Confident167 Ų16796.2 Ų96.263%0.6348%0.48SS*.Hα-helixtrans-61.4-43.7173.7-77.1-178.2179.5-167.81.1112.7L824 L825 Q826 V830 H831 C832L824-R828 WeakPolarHBondContact O-CG 3.46Å; L824-R828 PolarHBondContact O-N 3.22Å; L825-R828 PolarHBondContact O-N 3.39Å; Q826-R828 VanDerWaalsContact C-N 3.33Å; Q826-R828 PolarHBondContact O-N 3.05Å; R828-V830 PolarHBondContact O-N 3.39Å; R828-H831 PolarHBondContact O-N 3.34Å; R828-C832 PolarHBondContact O-N 2.95Å; R828-C832 PolarHBondContact O-SG 3.36Å
829K86.9Confident84.8Confident132 Ų13294.9 Ų94.957%0.57448%0.477SS*.Hα-helixtrans-58.5-48175.9-76.3178.2177.5-1780111.7L825 Q826 H831 C832 I833L825-K829 HydrophobicContact CD2-CD 4.43Å; L825-K829 WeakPolarHBondContact O-CG 3.43Å; L825-K829 PolarHBondContact O-N 3.05Å; Q826-K829 WeakPolarHBondContact O-CB 3.41Å; Q826-K829 PolarHBondContact O-N 3.48Å; Q826-K829 VanDerWaalsContact O-N 3.15Å; K829-H831 VanDerWaalsContact C-N 3.34Å; K829-H831 PolarHBondContact O-N 2.98Å; K829-C832 PolarHBondContact O-N 3.04Å; K829-I833 WeakPolarHBondContact O-CG1 3.42Å; K829-I833 PolarHBondContact O-N 2.88Å
830V86Confident84.8Confident83 Ų8397.7 Ų97.750%0.50349%0.485SS..Hα-helixtrans-63.3-39.6177.3173.70000111.4Q826 L827 R828 I833 N834Q826-V830 WeakPolarHBondContact O-CG2 3.41Å; Q826-V830 PolarHBondContact O-N 3Å; L827-V830 PolarHBondContact O-N 3.22Å; R828-V830 PolarHBondContact O-N 3.39Å; V830-I833 PolarHBondContact O-N 2.79Å; V830-N834 WeakPolarHBondContact O-CB 3.41Å; V830-N834 PolarHBondContact O-N 2.97Å; V830-N834 PolarHBondContact O-ND2 2.77Å
831H82.7Confident84.8Confident89 Ų8996.1 Ų96.141%0.41247%0.474SS..Hα-helixtrans-63.8-44.9176.1-169.560.8000112.2L827 R828 K829 I833 N834 I835L827-H831 WeakPolarHBondContact O-CB 3.26Å; L827-H831 PolarHBondContact O-N 3.35Å; R828-H831 PolarHBondContact O-N 3.34Å; K829-H831 VanDerWaalsContact C-N 3.34Å; K829-H831 PolarHBondContact O-N 2.98Å; H831-I833 PolarHBondContact O-N 2.89Å; H831-N834 PolarHBondContact O-N 3.2Å; H831-I835 WeakPolarHBondContact O-CG1 3.39Å; H831-I835 PolarHBondContact O-N 3.37Å
832C83.9Confident84.8Confident77 Ų7798.4 Ų98.452%0.5248%0.48SS..Hα-helixtrans-61.8-43.2175.3-67.80000112.5R828 K829 I835 S836R828-C832 PolarHBondContact O-N 2.95Å; R828-C832 PolarHBondContact O-SG 3.36Å; K829-C832 PolarHBondContact O-N 3.04Å; C832-I835 PolarHBondContact O-N 3.01Å; C832-S836 PolarHBondContact O-N 2.94Å; C832-S836 PolarHBondContact O-OG 2.92Å
833I87.6Confident84.7Confident113 Ų113102.5 Ų102.558%0.57949%0.493SS*.Hα-helixtrans-61.3-45.4176-68.3164.9000110.6K829 V830 H831 I835 S836 L837K829-I833 WeakPolarHBondContact O-CG1 3.42Å; K829-I833 PolarHBondContact O-N 2.88Å; V830-I833 PolarHBondContact O-N 2.79Å; H831-I833 PolarHBondContact O-N 2.89Å; I833-I835 PolarHBondContact O-N 3.31Å; I833-S836 PolarHBondContact O-N 3.13Å; I833-L837 WeakPolarHBondContact O-CB 3.48Å; I833-L837 PolarHBondContact O-N 3.39Å
834N84.7Confident84.7Confident46 Ų4699 Ų9925%0.24649%0.486CS..Hα-helixtrans-64.4-37.9177.5-76.5-35.1000112.8V830 H831 L838V830-N834 WeakPolarHBondContact O-CB 3.41Å; V830-N834 PolarHBondContact O-N 2.97Å; V830-N834 PolarHBondContact O-ND2 2.77Å; H831-N834 PolarHBondContact O-N 3.2Å; N834-L838 VanDerWaalsContact O-CB 3.31Å; N834-L838 WeakPolarHBondContact O-CB 3.38Å; N834-L838 VanDerWaalsContact O-CG 3.31Å; N834-L838 WeakPolarHBondContact O-CG 3.38Å; N834-L838 PolarHBondContact O-N 2.96Å
835I86.2Confident84.3Confident71 Ų7198.1 Ų98.136%0.36448%0.483SS..Hα-helixtrans-65.5-45.7174.7-72.3168.3000110.8H831 C832 I833 L837 L838 M839H831-I835 WeakPolarHBondContact O-CG1 3.39Å; H831-I835 PolarHBondContact O-N 3.37Å; C832-I835 PolarHBondContact O-N 3.01Å; I833-I835 PolarHBondContact O-N 3.31Å; I835-L837 VanDerWaalsContact C-N 3.35Å; I835-L837 PolarHBondContact O-N 2.99Å; I835-L838 PolarHBondContact O-N 2.95Å; I835-M839 WeakPolarHBondContact O-CG 3.44Å; I835-M839 PolarHBondContact O-N 3.41Å
836S86.6Confident83.8Confident72 Ų7299.6 Ų99.650%0.50350%0.499SS..Hα-helixtrans-61.4-42.3176.8-66.60000112C832 I833 M839 W840C832-S836 PolarHBondContact O-N 2.94Å; C832-S836 PolarHBondContact O-OG 2.92Å; I833-S836 PolarHBondContact O-N 3.13Å; S836-M839 PolarHBondContact O-N 3.25Å; S836-W840 WeakPolarHBondContact O-CB 3.42Å; S836-W840 PolarHBondContact O-N 3.49Å
837L85.4Confident83.2Confident91 Ų9199.7 Ų99.748%0.47651%0.507SS..Hα-helixtrans-65-39.8175.2-170.770.3000112I833 I835 W840 L841I833-L837 WeakPolarHBondContact O-CB 3.48Å; I833-L837 PolarHBondContact O-N 3.39Å; I835-L837 VanDerWaalsContact C-N 3.35Å; I835-L837 PolarHBondContact O-N 2.99Å; L837-W840 PolarHBondContact O-N 2.86Å; L837-L841 HydrophobicContact CG-CD1 4.28Å; L837-L841 WeakPolarHBondContact O-CB 3.27Å; L837-L841 WeakPolarHBondContact O-CG 3.21Å; L837-L841 PolarHBondContact O-N 3.21Å
838L78.1Confident82.5Confident39 Ų3999.5 Ų99.520%0.20451%0.51CS..Hα-helixtrans-66-40.1175.4-82.8167.5000112.6N834 I835 K842 L856 L859N834-L838 VanDerWaalsContact O-CB 3.31Å; N834-L838 WeakPolarHBondContact O-CB 3.38Å; N834-L838 VanDerWaalsContact O-CG 3.31Å; N834-L838 WeakPolarHBondContact O-CG 3.38Å; N834-L838 PolarHBondContact O-N 2.96Å; I835-L838 PolarHBondContact O-N 2.95Å; L838-K842 VanDerWaalsContact O-CB 3.27Å; L838-K842 WeakPolarHBondContact O-CB 3.49Å; L838-K842 PolarHBondContact O-N 3.04Å; L838-L856 HydrophobicContact CD1-CD2 3.84Å; L838-L856 HydrophobicContact CD2-CD2 3.81Å; L838-L856 HydrophobicContact CD2-CG 4.25Å; L838-L856 HydrophobicContact CG-CD2 4.49Å; L838-L859 HydrophobicContact CD1-CD1 4.2Å
839M86Confident82.2Confident102 Ų10294.4 Ų94.450%0.50250%0.5SS..Hα-helixtrans-65-45.3172.7-69.8-157.9-6100110.9I835 S836 L841 K842 Y843I835-M839 WeakPolarHBondContact O-CG 3.44Å; I835-M839 PolarHBondContact O-N 3.41Å; S836-M839 PolarHBondContact O-N 3.25Å; M839-L841 PolarHBondContact O-N 2.89Å; M839-K842 PolarHBondContact O-N 2.87Å; M839-Y843 WeakPolarHBondContact O-CD2 3.28Å; M839-Y843 PolarHBondContact O-N 2.93Å
840W88.1Confident82.1Confident173 Ų17394.2 Ų94.266%0.65550%0.504SS*.Hα-helixtrans-58.3-48.5177-174.183000111.8S836 L837 K842 Y843 A844S836-W840 WeakPolarHBondContact O-CB 3.42Å; S836-W840 PolarHBondContact O-N 3.49Å; L837-W840 PolarHBondContact O-N 2.86Å; W840-K842 VanDerWaalsContact C-N 3.35Å; W840-K842 PolarHBondContact O-N 3.25Å; W840-Y843 PolarHBondContact O-N 3.43Å; W840-A844 WeakPolarHBondContact O-CB 3.44Å; W840-A844 PolarHBondContact O-N 3.48Å
841L82.2Confident82Confident58 Ų5899.3 Ų99.330%0.30452%0.516SS..Hα-helixtrans-59.8-41.9174.7-74.4168.4000112.4L837 M839 Y843 A844 T845L837-L841 HydrophobicContact CG-CD1 4.28Å; L837-L841 WeakPolarHBondContact O-CB 3.27Å; L837-L841 WeakPolarHBondContact O-CG 3.21Å; L837-L841 PolarHBondContact O-N 3.21Å; M839-L841 PolarHBondContact O-N 2.89Å; L841-Y843 VanDerWaalsContact C-N 3.28Å; L841-Y843 PolarHBondContact O-N 3.04Å; L841-A844 PolarHBondContact O-N 3.44Å; L841-T845 PolarHBondContact O-N 3.43Å; L841-T845 VanDerWaalsContact O-N 3.13Å; L841-T845 PolarHBondContact O-OG1 3.32Å; L841-T845 VanDerWaalsContact O-OG1 3.05Å
842K81.3Confident82.2Confident161 Ų16197 Ų9770%0.751%0.506SS*.Hα-helixtrans-63.7-30.8178.1-175.2179.9176.5-1730113.1L838 M839 W840L838-K842 VanDerWaalsContact O-CB 3.27Å; L838-K842 WeakPolarHBondContact O-CB 3.49Å; L838-K842 PolarHBondContact O-N 3.04Å; M839-K842 PolarHBondContact O-N 2.87Å; W840-K842 VanDerWaalsContact C-N 3.35Å; W840-K842 PolarHBondContact O-N 3.25Å
843Y83.6Confident82.2Confident190 Ų190100.2 Ų100.275%0.74551%0.508SS*.Hα-helixtrans-90.6-24.7175.3-69.7-64.1000113.5M839 W840 L841M839-Y843 WeakPolarHBondContact O-CD2 3.28Å; M839-Y843 PolarHBondContact O-N 2.93Å; W840-Y843 PolarHBondContact O-N 3.43Å; L841-Y843 VanDerWaalsContact C-N 3.28Å; L841-Y843 PolarHBondContact O-N 3.04Å
844A85.1Confident82.2Confident55 Ų55100.8 Ų100.846%0.45551%0.51SS..Hα-helixtrans-80.4-25.9-179.800000114W840 L841W840-A844 WeakPolarHBondContact O-CB 3.44Å; W840-A844 PolarHBondContact O-N 3.48Å; L841-A844 PolarHBondContact O-N 3.44Å
845T75.5Confident82.4Confident55 Ų55104 Ų10434%0.33752%0.519SS..  trans-116.5119.4179.1600000111.9L841 T847L841-T845 PolarHBondContact O-N 3.43Å; L841-T845 VanDerWaalsContact O-N 3.13Å; L841-T845 PolarHBondContact O-OG1 3.32Å; L841-T845 VanDerWaalsContact O-OG1 3.05Å; T845-T847 PolarHBondContact O-N 3.13Å
846P72.8Confident82.3Confident130 Ų130104 Ų10484%0.84452%0.52SS*.SBendtrans-71.6-11.7-17829.4-35.7000113.9
847T72.4Confident82.4Confident110 Ų110105.2 Ų105.268%0.67552%0.518SS*.SBendtrans-127.2115.1172.645.20000110.1T845 S849T845-T847 PolarHBondContact O-N 3.13Å; T847-S849 PolarHBondContact O-N 2.92Å; T847-S849 VanDerWaalsContact O-N 3.08Å
848P70.8Confident82.6Confident75 Ų75105.5 Ų105.549%0.48752%0.516SS..  trans-70.7107.3178.727.3-33.2000110.4Y853P848-Y853 HydrophobicContact CB-CE2 3.81Å; P848-Y853 HydrophobicContact CG-CE2 3.84Å
849S80.2Confident83Confident60 Ų60105.5 Ų105.542%0.4252%0.517SS..  trans-56.9146.2178.3-179.60000112.2T847 Y851 I852T847-S849 PolarHBondContact O-N 2.92Å; T847-S849 VanDerWaalsContact O-N 3.08Å; S849-Y851 PolarHBondContact O-N 3.42Å; S849-Y851 VanDerWaalsContact O-N 3.09Å; S849-I852 WeakPolarHBondContact O-CA 3.21Å; S849-I852 WeakPolarHBondContact O-CB 3.39Å; S849-I852 PolarHBondContact O-N 3.29Å
850I85.3Confident83.2Confident128 Ų128107.6 Ų107.666%0.65652%0.523SS*.Hα-helixtrans-53.9-33.1177.8-64.5173.4000111.4I852 Y853 M854I850-I852 VanDerWaalsContact C-N 3.29Å; I850-I852 PolarHBondContact O-N 3.11Å; I850-Y853 PolarHBondContact O-N 2.84Å; I850-M854 HydrophobicContact CG2-CG 4.42Å; I850-M854 HydrophobicContact CG2-SD 4.42Å; I850-M854 PolarHBondContact O-N 3.04Å
851Y83.9Confident83.3Confident191 Ų191104.5 Ų104.575%0.74952%0.516SS*.Hα-helixtrans-60.2-34.1174.4-70.4-81.3000113.3S849 Y855S849-Y851 PolarHBondContact O-N 3.42Å; S849-Y851 VanDerWaalsContact O-N 3.09Å; Y851-Y855 VanDerWaalsContact O-CB 3.28Å; Y851-Y855 WeakPolarHBondContact O-CB 3.29Å; Y851-Y855 PolarHBondContact O-N 3.48Å
852I85.7Confident83.7Confident39 Ų39107.1 Ų107.120%0.252%0.524CS..Hα-helixtrans-68.1-41.7176-56.9176.7000109.9S849 I850 Y855 L856S849-I852 WeakPolarHBondContact O-CA 3.21Å; S849-I852 WeakPolarHBondContact O-CB 3.39Å; S849-I852 PolarHBondContact O-N 3.29Å; I850-I852 VanDerWaalsContact C-N 3.29Å; I850-I852 PolarHBondContact O-N 3.11Å; I852-Y855 PolarHBondContact O-N 2.82Å; I852-L856 HydrophobicContact CG2-CD1 4.09Å; I852-L856 HydrophobicContact CG2-CG 4.49Å; I852-L856 WeakPolarHBondContact O-CB 3.33Å; I852-L856 VanDerWaalsContact O-CG 3.31Å; I852-L856 WeakPolarHBondContact O-CG 3.42Å; I852-L856 PolarHBondContact O-N 3.12Å
853Y84.8Confident83.9Confident145 Ų145103.3 Ų103.357%0.56951%0.509SS*.Hα-helixtrans-65-42.5175.1-78.4-80.3000112.7P848 I850 Y855 L856 Q857P848-Y853 HydrophobicContact CB-CE2 3.81Å; P848-Y853 HydrophobicContact CG-CE2 3.84Å; I850-Y853 PolarHBondContact O-N 2.84Å; Y853-Y855 VanDerWaalsContact C-N 3.34Å; Y853-Y855 PolarHBondContact O-N 3.05Å; Y853-L856 PolarHBondContact O-N 2.96Å; Y853-Q857 WeakPolarHBondContact O-CB 3.37Å; Y853-Q857 PolarHBondContact O-N 3.3Å
854M88.3Confident84.3Confident125 Ų125100.6 Ų100.662%0.61650%0.501SS*.Hα-helixtrans-63.5-40174.7-69.7-174.470.900112I850 Q857 Q858I850-M854 HydrophobicContact CG2-CG 4.42Å; I850-M854 HydrophobicContact CG2-SD 4.42Å; I850-M854 PolarHBondContact O-N 3.04Å; M854-Q857 PolarHBondContact O-N 2.97Å; M854-Q858 PolarHBondContact O-N 2.9Å
855Y88.4Confident84.5Confident114 Ų114100.9 Ų100.945%0.44750%0.503SS..Hα-helixtrans-67.4-41.4176.7-172.1-113.8000112.3Y851 I852 Y853 Q857 Q858 L859Y851-Y855 VanDerWaalsContact O-CB 3.28Å; Y851-Y855 WeakPolarHBondContact O-CB 3.29Å; Y851-Y855 PolarHBondContact O-N 3.48Å; I852-Y855 PolarHBondContact O-N 2.82Å; Y853-Y855 VanDerWaalsContact C-N 3.34Å; Y853-Y855 PolarHBondContact O-N 3.05Å; Y855-Q857 PolarHBondContact O-N 3.33Å; Y855-Q858 PolarHBondContact O-N 3.29Å; Y855-L859 HydrophobicContact CD1-CD1 3.86Å; Y855-L859 HydrophobicContact CD1-CG 4.43Å; Y855-L859 HydrophobicContact CE1-CD1 3.52Å; Y855-L859 HydrophobicContact CE1-CG 4.16Å; Y855-L859 WeakPolarHBondContact O-CB 3.37Å; Y855-L859 WeakPolarHBondContact O-CG 3.37Å; Y855-L859 PolarHBondContact O-N 3.47Å
856L84.2Confident85Confident72 Ų72101.9 Ų101.938%0.37751%0.506SS..Hα-helixtrans-59.5-43.7172.6-80.3167.9000112.2L838 I852 Y853 L859 K860L838-L856 HydrophobicContact CD1-CD2 3.84Å; L838-L856 HydrophobicContact CD2-CD2 3.81Å; L838-L856 HydrophobicContact CD2-CG 4.25Å; L838-L856 HydrophobicContact CG-CD2 4.49Å; I852-L856 HydrophobicContact CG2-CD1 4.09Å; I852-L856 HydrophobicContact CG2-CG 4.49Å; I852-L856 WeakPolarHBondContact O-CB 3.33Å; I852-L856 VanDerWaalsContact O-CG 3.31Å; I852-L856 WeakPolarHBondContact O-CG 3.42Å; I852-L856 PolarHBondContact O-N 3.12Å; Y853-L856 PolarHBondContact O-N 2.96Å; L856-L859 PolarHBondContact O-N 3.25Å; L856-K860 WeakPolarHBondContact O-CB 3.43Å; L856-K860 PolarHBondContact O-N 2.99Å
857Q88.4Confident85.7Confident97 Ų97100.1 Ų100.145%0.45349%0.486SS..Hα-helixtrans-63.1-46.8176.4-178.261.922.500111.2Y853 M854 Y855 L859 K860 E861Y853-Q857 WeakPolarHBondContact O-CB 3.37Å; Y853-Q857 PolarHBondContact O-N 3.3Å; M854-Q857 PolarHBondContact O-N 2.97Å; Y855-Q857 PolarHBondContact O-N 3.33Å; Q857-L859 VanDerWaalsContact C-N 3.33Å; Q857-L859 PolarHBondContact O-N 3Å; Q857-K860 PolarHBondContact O-N 3.5Å; Q857-K860 VanDerWaalsContact O-N 3.16Å; Q857-E861 WeakPolarHBondContact CG-OE1 3.34Å; Q857-E861 PolarHBondContact NE2-OE1 3.45Å; Q857-E861 WeakPolarHBondContact O-CG 3.5Å; Q857-E861 PolarHBondContact O-N 3.46Å
858Q89.9Confident86.5Confident96 Ų9697.6 Ų97.645%0.44947%0.469SS..Hα-helixtrans-64.3-35.3177.7-164.9-17360.800112.6M854 Y855 K862M854-Q858 PolarHBondContact O-N 2.9Å; Y855-Q858 PolarHBondContact O-N 3.29Å; Q858-K862 WeakPolarHBondContact O-CB 3.25Å; Q858-K862 WeakPolarHBondContact O-CG 3.49Å; Q858-K862 PolarHBondContact O-N 2.91Å
859L86.6Confident87.4Confident40 Ų4097.4 Ų97.421%0.20947%0.473CS..Hα-helixtrans-65.8-41.6172.6-77.9176.8000111.8L838 Y855 L856 Q857 K862 Q863L838-L859 HydrophobicContact CD1-CD1 4.2Å; Y855-L859 HydrophobicContact CD1-CD1 3.86Å; Y855-L859 HydrophobicContact CD1-CG 4.43Å; Y855-L859 HydrophobicContact CE1-CD1 3.52Å; Y855-L859 HydrophobicContact CE1-CG 4.16Å; Y855-L859 WeakPolarHBondContact O-CB 3.37Å; Y855-L859 WeakPolarHBondContact O-CG 3.37Å; Y855-L859 PolarHBondContact O-N 3.47Å; L856-L859 PolarHBondContact O-N 3.25Å; Q857-L859 VanDerWaalsContact C-N 3.33Å; Q857-L859 PolarHBondContact O-N 3Å; L859-K862 PolarHBondContact O-N 3.03Å; L859-Q863 WeakPolarHBondContact O-CB 3.33Å; L859-Q863 PolarHBondContact O-N 3.47Å
860K89.8Confident87.7Confident146 Ų14697.6 Ų97.664%0.63547%0.469SS*.Hα-helixtrans-64.5-39.1177.3-170.8177.5-178.6-179.10112.1L856 Q857 Q863 K864L856-K860 WeakPolarHBondContact O-CB 3.43Å; L856-K860 PolarHBondContact O-N 2.99Å; Q857-K860 PolarHBondContact O-N 3.5Å; Q857-K860 VanDerWaalsContact O-N 3.16Å; K860-Q863 PolarHBondContact O-N 3.32Å; K860-K864 PolarHBondContact O-N 2.91Å
861E91.1Very high87.4Confident107 Ų10796.7 Ų96.750%0.547%0.465SS..Hα-helixtrans-67-43.3174.3-73166.2-170.500111.9Q857 K864 A865Q857-E861 WeakPolarHBondContact CG-OE1 3.34Å; Q857-E861 PolarHBondContact NE2-OE1 3.45Å; Q857-E861 WeakPolarHBondContact O-CG 3.5Å; Q857-E861 PolarHBondContact O-N 3.46Å; E861-K864 PolarHBondContact O-N 2.86Å; E861-A865 WeakPolarHBondContact O-CB 3.42Å; E861-A865 PolarHBondContact O-N 3.31Å
862K90.9Very high87.4Confident113 Ų11393.3 Ų93.349%0.49145%0.454SS..Hα-helixtrans-62.9-40.9173.2-76.6173.4176.9172.60112.4Q858 L859 A865 I866Q858-K862 WeakPolarHBondContact O-CB 3.25Å; Q858-K862 WeakPolarHBondContact O-CG 3.49Å; Q858-K862 PolarHBondContact O-N 2.91Å; L859-K862 PolarHBondContact O-N 3.03Å; K862-A865 PolarHBondContact O-N 3.12Å; K862-I866 WeakPolarHBondContact O-CG1 3.41Å; K862-I866 PolarHBondContact O-N 3.42Å
863Q85.1Confident87Confident82 Ų8295.3 Ų95.338%0.38347%0.47SS..Hα-helixtrans-60.4-50.8174.6176.4173.1-10.200110.6L859 K860 A865 I866 E867L859-Q863 WeakPolarHBondContact O-CB 3.33Å; L859-Q863 PolarHBondContact O-N 3.47Å; K860-Q863 PolarHBondContact O-N 3.32Å; Q863-A865 VanDerWaalsContact C-N 3.27Å; Q863-A865 PolarHBondContact O-N 3.48Å; Q863-I866 PolarHBondContact O-N 2.93Å; Q863-I866 VanDerWaalsContact O-N 3.11Å; Q863-E867 HydrophobicContact CG-CG 4.34Å; Q863-E867 VanDerWaalsContact CG-OE1 3.29Å; Q863-E867 WeakPolarHBondContact CG-OE1 3.4Å; Q863-E867 PolarHBondContact NE2-OE1 3.42Å; Q863-E867 WeakPolarHBondContact O-CG 3.34Å; Q863-E867 PolarHBondContact O-N 3.44Å
864K90.8Very high86.5Confident133 Ų13395.2 Ų95.258%0.57848%0.476SS*.Hα-helixtrans-57.9-39.7176.7-174.6179.5177.4-176.20112.1K860 E861 E867 D868K860-K864 PolarHBondContact O-N 2.91Å; E861-K864 PolarHBondContact O-N 2.86Å; K864-E867 PolarHBondContact O-N 3.24Å; K864-D868 VanDerWaalsContact O-CB 3.28Å; K864-D868 WeakPolarHBondContact O-CB 3.5Å; K864-D868 PolarHBondContact O-N 3.46Å
865A89.9Confident85.7Confident60 Ų6093.2 Ų93.250%0.49648%0.48SS..Hα-helixtrans-65.9-36.8177.100000113E861 K862 Q863 A869E861-A865 WeakPolarHBondContact O-CB 3.42Å; E861-A865 PolarHBondContact O-N 3.31Å; K862-A865 PolarHBondContact O-N 3.12Å; Q863-A865 VanDerWaalsContact C-N 3.27Å; Q863-A865 PolarHBondContact O-N 3.48Å; A865-A869 WeakPolarHBondContact O-CB 3.48Å; A865-A869 PolarHBondContact O-N 3.11Å
866I86.6Confident84.7Confident76 Ų7693.5 Ų93.539%0.3949%0.493SS..Hα-helixtrans-72-42.5175.6-68.1165.1000110.9L827 K862 Q863 A869 I870L827-I866 HydrophobicContact CD2-CD1 4.49Å; K862-I866 WeakPolarHBondContact O-CG1 3.41Å; K862-I866 PolarHBondContact O-N 3.42Å; Q863-I866 PolarHBondContact O-N 2.93Å; Q863-I866 VanDerWaalsContact O-N 3.11Å; I866-A869 PolarHBondContact O-N 2.86Å; I866-I870 HydrophobicContact CG2-CD1 3.74Å; I866-I870 WeakPolarHBondContact O-CB 3.47Å; I866-I870 WeakPolarHBondContact O-CG1 3.47Å; I866-I870 PolarHBondContact O-N 3.41Å
867E87.5Confident83.3Confident93 Ų9398.3 Ų98.344%0.43551%0.513SS..Hα-helixtrans-62-45.8175.1-72.9170.7178.400111.2Q863 K864 A869 I870 L871Q863-E867 HydrophobicContact CG-CG 4.34Å; Q863-E867 VanDerWaalsContact CG-OE1 3.29Å; Q863-E867 WeakPolarHBondContact CG-OE1 3.4Å; Q863-E867 PolarHBondContact NE2-OE1 3.42Å; Q863-E867 WeakPolarHBondContact O-CG 3.34Å; Q863-E867 PolarHBondContact O-N 3.44Å; K864-E867 PolarHBondContact O-N 3.24Å; E867-A869 PolarHBondContact O-N 3.19Å; E867-I870 PolarHBondContact O-N 3.13Å; E867-L871 HydrophobicContact CB-CD1 4.43Å; E867-L871 WeakPolarHBondContact O-CB 3.47Å; E867-L871 WeakPolarHBondContact O-CD1 3.46Å; E867-L871 PolarHBondContact O-N 2.97Å
868D88.8Confident81.6Confident58 Ų58102.5 Ų102.531%0.3153%0.53SS..Hα-helixtrans-59.6-45173-92.1-5000111.8K864 I870 K872K864-D868 VanDerWaalsContact O-CB 3.28Å; K864-D868 WeakPolarHBondContact O-CB 3.5Å; K864-D868 PolarHBondContact O-N 3.46Å; D868-I870 VanDerWaalsContact C-N 3.32Å; D868-I870 PolarHBondContact O-N 3.02Å; D868-K872 HydrophobicContact CB-CD 4.03Å; D868-K872 VanDerWaalsContact CG-CE 3.42Å; D868-K872 WeakPolarHBondContact O-CB 3.49Å; D868-K872 VanDerWaalsContact O-CG 3.3Å; D868-K872 WeakPolarHBondContact O-CG 3.4Å; D868-K872 PolarHBondContact O-N 3.11Å; D868-K872 WeakPolarHBondContact OD1-CE 3.41Å; D868-K872 IonicContact OD1-NZ 3.67Å; D868-K872 PolarHBondContact OD1-NZ 3.39Å; D868-K872 IonicContact OD2-NZ 2.8Å; D868-K872 PolarHBondContact OD2-NZ 3.47Å
869A89Confident80.1Confident70 Ų70104 Ų10458%0.57955%0.548SS*.Hα-helixtrans-67.9-28.2-178.400000113.8A865 I866 E867 P873A865-A869 WeakPolarHBondContact O-CB 3.48Å; A865-A869 PolarHBondContact O-N 3.11Å; I866-A869 PolarHBondContact O-N 2.86Å; E867-A869 PolarHBondContact O-N 3.19Å; A869-P873 WeakPolarHBondContact O-CD 3.48Å; A869-P873 VanDerWaalsContact O-CG 3.32Å; A869-P873 WeakPolarHBondContact O-CG 3.47Å
870I86.2Confident78.6Confident65 Ų65107.6 Ų107.633%0.33358%0.577SS.*Hα-helixtrans-94.8-46.6-178.7-64.3173.7000111.7I866 E867 D868 P873 M874I866-I870 HydrophobicContact CG2-CD1 3.74Å; I866-I870 WeakPolarHBondContact O-CB 3.47Å; I866-I870 WeakPolarHBondContact O-CG1 3.47Å; I866-I870 PolarHBondContact O-N 3.41Å; E867-I870 PolarHBondContact O-N 3.13Å; D868-I870 VanDerWaalsContact C-N 3.32Å; D868-I870 PolarHBondContact O-N 3.02Å; I870-P873 WeakPolarHBondContact O-CG 3.47Å; I870-M874 WeakPolarHBondContact O-CG 3.34Å
871L80.8Confident76.7Confident108 Ų108105.8 Ų105.857%0.56558%0.582SS**Hα-helixtrans-80.3-35.5-173.9-78.282.5000113.3E867 M874 A875E867-L871 HydrophobicContact CB-CD1 4.43Å; E867-L871 WeakPolarHBondContact O-CB 3.47Å; E867-L871 WeakPolarHBondContact O-CD1 3.46Å; E867-L871 PolarHBondContact O-N 2.97Å; L871-M874 PolarHBondContact O-N 3.16Å; L871-A875 PolarHBondContact O-N 2.91Å
872K82Confident74.6Confident121 Ų121109.5 Ų109.553%0.52661%0.605SS.*Hα-helixtrans-59.7-46.9-179.2-69.3176.2167.3168.20113.6D868 M874 A875 V876D868-K872 HydrophobicContact CB-CD 4.03Å; D868-K872 VanDerWaalsContact CG-CE 3.42Å; D868-K872 WeakPolarHBondContact O-CB 3.49Å; D868-K872 VanDerWaalsContact O-CG 3.3Å; D868-K872 WeakPolarHBondContact O-CG 3.4Å; D868-K872 PolarHBondContact O-N 3.11Å; D868-K872 WeakPolarHBondContact OD1-CE 3.41Å; D868-K872 IonicContact OD1-NZ 3.67Å; D868-K872 PolarHBondContact OD1-NZ 3.39Å; D868-K872 IonicContact OD2-NZ 2.8Å; D868-K872 PolarHBondContact OD2-NZ 3.47Å; K872-M874 VanDerWaalsContact C-N 3.32Å; K872-M874 PolarHBondContact O-N 3.32Å; K872-A875 PolarHBondContact O-N 3.12Å; K872-V876 WeakPolarHBondContact O-CG2 3.47Å
873P79.1Confident72.7Confident80 Ų80108.2 Ų108.252%0.51962%0.615SS.*Hα-helixtrans-65.6-32.917624.3-33.1000112.9A869 I870 V876A869-P873 WeakPolarHBondContact O-CD 3.48Å; A869-P873 VanDerWaalsContact O-CG 3.32Å; A869-P873 WeakPolarHBondContact O-CG 3.47Å; I870-P873 WeakPolarHBondContact O-CG 3.47Å; P873-V876 PolarHBondContact O-N 3.2Å
874M73.4Confident70.9Confident143 Ų143109.4 Ų109.470%0.70464%0.639SS**Hα-helixtrans-67.2-35.2175.2-68.9-171.570.900112.7I870 L871 K872 V876I870-M874 WeakPolarHBondContact O-CG 3.34Å; L871-M874 PolarHBondContact O-N 3.16Å; K872-M874 VanDerWaalsContact C-N 3.32Å; K872-M874 PolarHBondContact O-N 3.32Å; M874-V876 VanDerWaalsContact C-N 3.27Å; M874-V876 PolarHBondContact O-N 3.04Å
875A70.9Confident68.9Low84 Ų84106.4 Ų106.469%0.69465%0.646SS**Hα-helixtrans-71.3-17.6179.800000114.2L871 K872L871-A875 PolarHBondContact O-N 2.91Å; K872-A875 PolarHBondContact O-N 3.12Å
876V68.7Low67.3Low120 Ų120112 Ų11273%0.72767%0.668SS**Hα-helixtrans-85.8-20-177.6174.10000112.7K872 P873 M874 K878K872-V876 WeakPolarHBondContact O-CG2 3.47Å; P873-V876 PolarHBondContact O-N 3.2Å; M874-V876 VanDerWaalsContact C-N 3.27Å; M874-V876 PolarHBondContact O-N 3.04Å; V876-K878 VanDerWaalsContact C-N 3.29Å; V876-K878 PolarHBondContact O-N 2.83Å
877Q53.6Low65.9Low172 Ų172111.9 Ų111.980%0.80469%0.686SS**  trans-75.477.5172.9-76.3-167.9-29.400111.9
878K52.6Low63.9Low185 Ų185119.9 Ų119.980%0.80473%0.73SS**  trans-60133.2155.4-76.4-174.2176.2-179.10108.6V876 S880V876-K878 VanDerWaalsContact C-N 3.29Å; V876-K878 PolarHBondContact O-N 2.83Å; K878-S880 PolarHBondContact O-N 3.37Å; K878-S880 VanDerWaalsContact O-N 3.13Å
879P57.8Low62.6Low128 Ų128123 Ų12383%0.83175%0.751SS**  trans-66.3113.4170.727.3-32.5000109.2
880S55.6Low61.3Low116 Ų116125.7 Ų125.781%0.81176%0.76SS**PPolyproline II helixtrans-62.8134.7170.2490000109.8K878K878-S880 PolarHBondContact O-N 3.37Å; K878-S880 VanDerWaalsContact O-N 3.13Å
881S49.9Very low59.9Low107 Ų107129.1 Ų129.175%0.74878%0.784SS**PPolyproline II helixtrans-59.4138.2-170.348.80000114.2A883S881-A883 PolarHBondContact O-N 3.01Å
882L48.3Very low58.6Low185 Ų185130.4 Ų130.497%0.96980%0.797SS**PPolyproline II helixtrans-57.8119.2156.5-78.1145.5000109.4
883A50.2Low57.2Low86 Ų86130.9 Ų130.971%0.71181%0.813SS**  trans-153.6151.1168.600000109.5S881S881-A883 PolarHBondContact O-N 3.01Å
884A47.3Very low55.7Low107 Ų107134.3 Ų134.388%0.88483%0.833SS**  trans53.873173.400000116.4
885G49.3Very low54.4Low71 Ų71133.7 Ų133.773%0.73284%0.842SS**  trans-96.3119.4144.700000108.8
886N55.7Low53.2Low176 Ų176137.5 Ų137.594%0.94185%0.854SS**  trans-171.2119.3168.1-103.4-15000109
887G56.5Low51.9Low75 Ų75139 Ų13977%0.77386%0.864SS**  trans138.999.6173.900000113.9
888L46Very low51.7Low260 Ų260136 Ų136100%1.36187%0.87SS**  trans690179.6-61.7167.2000115.6

Retrieved 888 of 888 residues in 816.3 ms (Link to these results)