A0A087WQ89_MOUSE Loading...

MISP family member 3

AlphaFold DB , UniProt , Accession A0A087WQ89, Species MOUSE (Mus musculus, Mouse), Gene Misp3, Length 206 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
1M83.5Confident95.2Very high238 Ų238112.5 Ų112.5100%1.17254%0.537SS*.  0113.80-70.2-74.3-164.500107.8
2E91.4Very high95.3Very high74 Ų74107.1 Ų107.135%0.34652%0.52SS..  trans-79.7129.1175.3-174.9-174.7-151.900109.8Q6 R7 R10E2-Q6 HydrophobicContact CG-CB 3.48Å; E2-Q6 VanDerWaalsContact CG-CB 3.48Å; E2-R7 HydrophobicContact CG-CB 4.28Å; E2-R7 PolarHBondContact O-NH1 3.49Å; E2-R7 VanDerWaalsContact OE1-CA 3.28Å; E2-R7 WeakPolarHBondContact OE1-CA 3.46Å; E2-R7 PolarHBondContact OE1-N 3.11Å; E2-R7 IonicContact OE2-NH1 3.15Å; E2-R10 IonicContact OE1-NE 3.8Å; E2-R10 PolarHBondContact OE1-NE 2.99Å
3T96.5Very high95.3Very high59 Ų59104.5 Ų104.536%0.36252%0.518SS..  trans-67.7153.7177.768.10000110.9I5 Q6 R7T3-I5 PolarHBondContact O-N 2.71Å; T3-I5 VanDerWaalsContact OG1-CG2 3.25Å; T3-I5 WeakPolarHBondContact OG1-CG2 3.23Å; T3-Q6 PolarHBondContact O-N 2.95Å; T3-Q6 VanDerWaalsContact O-N 3.09Å; T3-Q6 WeakPolarHBondContact OG1-CB 3.32Å; T3-Q6 WeakPolarHBondContact OG1-CG 3.45Å; T3-Q6 PolarHBondContact OG1-N 2.86Å; T3-Q6 PolarHBondContact OG1-OE1 2.89Å; T3-R7 PolarHBondContact O-N 2.92Å; T3-R7 VanDerWaalsContact O-N 3.08Å
4P96.7Very high95.3Very high99 Ų99103.4 Ų103.464%0.64351%0.511SS*.Hα-helixtrans-52.2-38.6175.6-28.335.7000113.7R7 E8P4-R7 PolarHBondContact O-N 2.97Å; P4-E8 PolarHBondContact O-N 3.1Å
5I95.9Very high95.4Very high115 Ų115106.9 Ų106.959%0.5952%0.516SS*.Hα-helixtrans-69.8-38.1177.7-169.4149.4000112.7T3 R7 E8 I9T3-I5 PolarHBondContact O-N 2.71Å; T3-I5 VanDerWaalsContact OG1-CG2 3.25Å; T3-I5 WeakPolarHBondContact OG1-CG2 3.23Å; I5-R7 VanDerWaalsContact C-N 3.31Å; I5-R7 PolarHBondContact O-N 3.27Å; I5-E8 PolarHBondContact O-N 3.32Å; I5-I9 HydrophobicContact CG1-CD1 4.07Å; I5-I9 HydrophobicContact CG1-CG1 4.47Å; I5-I9 VanDerWaalsContact O-CG1 3.31Å; I5-I9 WeakPolarHBondContact O-CG1 3.37Å; I5-I9 PolarHBondContact O-N 2.83Å
6Q97.8Very high95.4Very high96 Ų96105.3 Ų105.345%0.44951%0.508SS..Hα-helixtrans-61.5-41.5174.2-77168.8-15.400111.4E2 T3 E8 I9 R10E2-Q6 HydrophobicContact CG-CB 3.48Å; E2-Q6 VanDerWaalsContact CG-CB 3.48Å; T3-Q6 PolarHBondContact O-N 2.95Å; T3-Q6 VanDerWaalsContact O-N 3.09Å; T3-Q6 WeakPolarHBondContact OG1-CB 3.32Å; T3-Q6 WeakPolarHBondContact OG1-CG 3.45Å; T3-Q6 PolarHBondContact OG1-N 2.86Å; T3-Q6 PolarHBondContact OG1-OE1 2.89Å; Q6-E8 VanDerWaalsContact C-N 3.31Å; Q6-E8 PolarHBondContact O-N 2.94Å; Q6-I9 PolarHBondContact O-N 3.31Å; Q6-R10 WeakPolarHBondContact O-CB 3.31Å; Q6-R10 PolarHBondContact O-N 3.19Å
7R97.7Very high95.2Very high89 Ų89104.3 Ų104.334%0.33650%0.502SS..Hα-helixtrans-63.5-33.8178.1-178.9166.840.9-101.52113.1E2 T3 P4 I5 R11E2-R7 HydrophobicContact CG-CB 4.28Å; E2-R7 PolarHBondContact O-NH1 3.49Å; E2-R7 VanDerWaalsContact OE1-CA 3.28Å; E2-R7 WeakPolarHBondContact OE1-CA 3.46Å; E2-R7 PolarHBondContact OE1-N 3.11Å; E2-R7 IonicContact OE2-NH1 3.15Å; T3-R7 PolarHBondContact O-N 2.92Å; T3-R7 VanDerWaalsContact O-N 3.08Å; P4-R7 PolarHBondContact O-N 2.97Å; I5-R7 VanDerWaalsContact C-N 3.31Å; I5-R7 PolarHBondContact O-N 3.27Å; R7-R11 WeakPolarHBondContact O-CG 3.37Å; R7-R11 PolarHBondContact O-N 3.09Å
8E97.1Very high95.1Very high125 Ų125102.2 Ų102.258%0.58450%0.5SS*.Hα-helixtrans-77.3-39.3175.1-175.4162.6-162.900112.8P4 I5 Q6 R11 S12P4-E8 PolarHBondContact O-N 3.1Å; I5-E8 PolarHBondContact O-N 3.32Å; Q6-E8 VanDerWaalsContact C-N 3.31Å; Q6-E8 PolarHBondContact O-N 2.94Å; E8-R11 PolarHBondContact O-N 3.35Å; E8-S12 WeakPolarHBondContact O-CB 3.47Å; E8-S12 PolarHBondContact O-N 3.47Å; E8-S12 PolarHBondContact O-OG 3.44Å
9I96.8Very high95.1Very high99 Ų99100.3 Ų100.351%0.50849%0.492SS..Hα-helixtrans-59.3-48.1172.8-68.7167000109.8I5 Q6 R11 S12 C13I5-I9 HydrophobicContact CG1-CD1 4.07Å; I5-I9 HydrophobicContact CG1-CG1 4.47Å; I5-I9 VanDerWaalsContact O-CG1 3.31Å; I5-I9 WeakPolarHBondContact O-CG1 3.37Å; I5-I9 PolarHBondContact O-N 2.83Å; Q6-I9 PolarHBondContact O-N 3.31Å; I9-R11 PolarHBondContact O-N 2.84Å; I9-S12 PolarHBondContact O-N 3Å; I9-C13 PolarHBondContact O-N 2.95Å; I9-C13 PolarHBondContact O-SG 3.36Å
10R96.7Very high94.9Very high112 Ų112101.2 Ų101.242%0.42349%0.489SS..Hα-helixtrans-58.2-50.1177.7-175.1178.463.187.6-6.1111.8E2 Q6 S12 C13 E14E2-R10 IonicContact OE1-NE 3.8Å; E2-R10 PolarHBondContact OE1-NE 2.99Å; Q6-R10 WeakPolarHBondContact O-CB 3.31Å; Q6-R10 PolarHBondContact O-N 3.19Å; R10-S12 VanDerWaalsContact C-N 3.29Å; R10-S12 PolarHBondContact O-N 3.46Å; R10-C13 PolarHBondContact O-N 3.48Å; R10-E14 WeakPolarHBondContact CG-OE1 3.49Å; R10-E14 IonicContact CZ-OE1 3.93Å; R10-E14 IonicContact NH1-OE1 2.7Å; R10-E14 PolarHBondContact NH1-OE1 3.33Å; R10-E14 IonicContact NH1-OE2 3.43Å; R10-E14 WeakPolarHBondContact O-CG 3.45Å; R10-E14 PolarHBondContact O-N 3.09Å
11R97.2Very high94.7Very high131 Ų131103 Ų10349%0.49449%0.491SS..Hα-helixtrans-59.9-37.3176.4-78.7-165-94.8-154.50.6112.8R7 E8 I9 R15R7-R11 WeakPolarHBondContact O-CG 3.37Å; R7-R11 PolarHBondContact O-N 3.09Å; E8-R11 PolarHBondContact O-N 3.35Å; I9-R11 PolarHBondContact O-N 2.84Å; R11-R15 WeakPolarHBondContact O-CG 3.41Å; R11-R15 PolarHBondContact O-N 3.32Å
12S96.2Very high95.1Very high48 Ų4896.1 Ų96.134%0.33647%0.467SS..Hα-helixtrans-69.7-39.5176.8-60.90000112.1E8 I9 R10 R15 E16E8-S12 WeakPolarHBondContact O-CB 3.47Å; E8-S12 PolarHBondContact O-N 3.47Å; E8-S12 PolarHBondContact O-OG 3.44Å; I9-S12 PolarHBondContact O-N 3Å; R10-S12 VanDerWaalsContact C-N 3.29Å; R10-S12 PolarHBondContact O-N 3.46Å; S12-R15 PolarHBondContact O-N 3.48Å; S12-R15 PolarHBondContact OG-NH2 3.31Å; S12-E16 WeakPolarHBondContact O-CB 3.15Å; S12-E16 PolarHBondContact O-N 3.27Å
13C95.4Very high95.2Very high73 Ų73100.3 Ų100.349%0.49348%0.479SS..Hα-helixtrans-62.6-44.2173.3-64.50000111.4I9 R10 R15 E16 E17I9-C13 PolarHBondContact O-N 2.95Å; I9-C13 PolarHBondContact O-SG 3.36Å; R10-C13 PolarHBondContact O-N 3.48Å; C13-R15 PolarHBondContact O-N 2.87Å; C13-E16 PolarHBondContact O-N 2.96Å; C13-E17 WeakPolarHBondContact O-CB 3.42Å; C13-E17 PolarHBondContact O-N 3.44Å
14E95.9Very high94.7Very high89 Ų89100.6 Ų100.642%0.41649%0.493SS..Hα-helixtrans-61.1-42.1176.6-72.9167.2-175.300112.2R10 S18R10-E14 WeakPolarHBondContact CG-OE1 3.49Å; R10-E14 IonicContact CZ-OE1 3.93Å; R10-E14 IonicContact NH1-OE1 2.7Å; R10-E14 PolarHBondContact NH1-OE1 3.33Å; R10-E14 IonicContact NH1-OE2 3.43Å; R10-E14 WeakPolarHBondContact O-CG 3.45Å; R10-E14 PolarHBondContact O-N 3.09Å; E14-S18 WeakPolarHBondContact O-CB 3.37Å; E14-S18 PolarHBondContact O-N 3.25Å
15R96.9Very high94.1Very high156 Ų156100.6 Ų100.659%0.58949%0.487SS*.Hα-helixtrans-64.7-47.4174.9-74.8-173.2-59.9-127.20.6112.3R11 S12 C13 E17 S18 L19R11-R15 WeakPolarHBondContact O-CG 3.41Å; R11-R15 PolarHBondContact O-N 3.32Å; S12-R15 PolarHBondContact O-N 3.48Å; S12-R15 PolarHBondContact OG-NH2 3.31Å; C13-R15 PolarHBondContact O-N 2.87Å; R15-E17 VanDerWaalsContact C-N 3.33Å; R15-E17 PolarHBondContact O-N 2.89Å; R15-S18 PolarHBondContact O-N 3.19Å; R15-L19 PolarHBondContact O-N 2.8Å
16E94.5Very high92.9Very high82 Ų8298.5 Ų98.538%0.38348%0.483SS..Hα-helixtrans-61.6-42.3178.1175.859.2-156.800111S12 C13 S18 L19 R20S12-E16 WeakPolarHBondContact O-CB 3.15Å; S12-E16 PolarHBondContact O-N 3.27Å; C13-E16 PolarHBondContact O-N 2.96Å; E16-S18 PolarHBondContact O-N 2.68Å; E16-L19 WeakPolarHBondContact O-CB 3.4Å; E16-L19 PolarHBondContact O-N 2.97Å; E16-R20 WeakPolarHBondContact O-CG 3.33Å; E16-R20 PolarHBondContact O-N 3.25Å; E16-R20 IonicContact OE1-CZ 3.72Å; E16-R20 IonicContact OE1-NE 3.44Å; E16-R20 PolarHBondContact OE1-NE 3.49Å; E16-R20 IonicContact OE1-NH2 2.67Å
17E92.7Very high91.6Very high88 Ų8898.8 Ų98.841%0.41149%0.494SS..Hα-helixtrans-65.6-40.3177.4-158-167154.200111.5C13 R15 L19 R20 R21C13-E17 WeakPolarHBondContact O-CB 3.42Å; C13-E17 PolarHBondContact O-N 3.44Å; R15-E17 VanDerWaalsContact C-N 3.33Å; R15-E17 PolarHBondContact O-N 2.89Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 2.77Å; E17-R20 PolarHBondContact O-N 2.87Å; E17-R21 WeakPolarHBondContact O-CG 3.43Å; E17-R21 PolarHBondContact O-N 2.81Å; E17-R21 IonicContact OE1-CZ 3.39Å; E17-R21 IonicContact OE1-NE 2.71Å; E17-R21 PolarHBondContact OE1-NE 3.12Å; E17-R21 IonicContact OE1-NH2 3.81Å; E17-R21 PolarHBondContact OE1-NH2 3.4Å; E17-R21 IonicContact OE2-NH2 2.94Å; E17-R21 PolarHBondContact OE2-NH2 3.23Å
18S93.1Very high90.1Very high66 Ų6697.4 Ų97.446%0.46251%0.506SS..Hα-helixtrans-61.4-42.3173.5-157.60000112E14 R15 E16 R21 S22E14-S18 WeakPolarHBondContact O-CB 3.37Å; E14-S18 PolarHBondContact O-N 3.25Å; R15-S18 PolarHBondContact O-N 3.19Å; E16-S18 PolarHBondContact O-N 2.68Å; S18-R21 PolarHBondContact O-N 3.35Å; S18-S22 PolarHBondContact O-N 3.3Å
19L94.8Very high88.3Confident67 Ų6798.6 Ų98.635%0.35151%0.506SS..Hα-helixtrans-63.4-44.1175.4-173.563.2000111.5R15 E16 E17 S22 R23R15-L19 PolarHBondContact O-N 2.8Å; E16-L19 WeakPolarHBondContact O-CB 3.4Å; E16-L19 PolarHBondContact O-N 2.97Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 2.77Å; L19-S22 PolarHBondContact O-N 3.45Å; L19-S22 PolarHBondContact O-OG 3.06Å; L19-R23 WeakPolarHBondContact O-CG 3.46Å; L19-R23 PolarHBondContact O-N 3.45Å
20R91.3Very high86.5Confident117 Ų11797.9 Ų97.944%0.44251%0.514SS..Hα-helixtrans-60-45.9175-74.5178.2177-149.3-3.3111.9E16 E17 S22 R23 G24 L25E16-R20 WeakPolarHBondContact O-CG 3.33Å; E16-R20 PolarHBondContact O-N 3.25Å; E16-R20 IonicContact OE1-CZ 3.72Å; E16-R20 IonicContact OE1-NE 3.44Å; E16-R20 PolarHBondContact OE1-NE 3.49Å; E16-R20 IonicContact OE1-NH2 2.67Å; E17-R20 PolarHBondContact O-N 2.87Å; R20-S22 PolarHBondContact O-N 3.39Å; R20-R23 CarbonylContact O-C 3.55Å; R20-R23 PolarHBondContact O-N 2.98Å; R20-R23 VanDerWaalsContact O-N 3.16Å; R20-G24 PolarHBondContact O-N 2.91Å; R20-L25 HydrophobicContact CB-CB 4.17Å; R20-L25 HydrophobicContact CG-CB 4.47Å; R20-L25 PolarHBondContact O-N 2.99Å
21R90.9Very high84.7Confident141 Ų14195.4 Ų95.453%0.53252%0.524SS..Hα-helixtrans-59.7-45.4174.8-71-172.9-135108.2-6.6111.9E17 S18 R23 G24E17-R21 WeakPolarHBondContact O-CG 3.43Å; E17-R21 PolarHBondContact O-N 2.81Å; E17-R21 IonicContact OE1-CZ 3.39Å; E17-R21 IonicContact OE1-NE 2.71Å; E17-R21 PolarHBondContact OE1-NE 3.12Å; E17-R21 IonicContact OE1-NH2 3.81Å; E17-R21 PolarHBondContact OE1-NH2 3.4Å; E17-R21 IonicContact OE2-NH2 2.94Å; E17-R21 PolarHBondContact OE2-NH2 3.23Å; S18-R21 PolarHBondContact O-N 3.35Å; R21-R23 PolarHBondContact O-N 3.09Å; R21-G24 PolarHBondContact O-N 3.45Å
22S91.4Very high83Confident93 Ų9397.3 Ų97.365%0.6554%0.539SS*.Hα-helixtrans-62.8-26.5177.574.10000113.6S18 L19 R20S18-S22 PolarHBondContact O-N 3.3Å; L19-S22 PolarHBondContact O-N 3.45Å; L19-S22 PolarHBondContact O-OG 3.06Å; R20-S22 PolarHBondContact O-N 3.39Å
23R93Very high81.3Confident162 Ų162100.3 Ų100.361%0.61155%0.547SS*.THydrogen-bonded Turntrans-90.41176.6-68.5174.7176.4176.1-1.2113.5L19 R20 R21 L25L19-R23 WeakPolarHBondContact O-CG 3.46Å; L19-R23 PolarHBondContact O-N 3.45Å; R20-R23 CarbonylContact O-C 3.55Å; R20-R23 PolarHBondContact O-N 2.98Å; R20-R23 VanDerWaalsContact O-N 3.16Å; R21-R23 PolarHBondContact O-N 3.09Å; R23-L25 HydrophobicContact CB-CD1 4.22Å; R23-L25 HydrophobicContact CB-CG 4.05Å; R23-L25 PolarHBondContact O-N 3.26Å
24G87.6Confident80.3Confident64 Ų64104.7 Ų104.766%0.6657%0.565SS**THydrogen-bonded Turntrans69.214.8-175.200000114.3R20 R21 S26R20-G24 PolarHBondContact O-N 2.91Å; R21-G24 PolarHBondContact O-N 3.45Å; G24-S26 PolarHBondContact O-N 3.2Å; G24-S26 VanDerWaalsContact O-N 3.12Å
25L82.6Confident79.2Confident99 Ų99106.9 Ų106.952%0.51858%0.578SS.*  trans-82.489.8176.5-60.8177.1000108.5R20 R23R20-L25 HydrophobicContact CB-CB 4.17Å; R20-L25 HydrophobicContact CG-CB 4.47Å; R20-L25 PolarHBondContact O-N 2.99Å; R23-L25 HydrophobicContact CB-CD1 4.22Å; R23-L25 HydrophobicContact CB-CG 4.05Å; R23-L25 PolarHBondContact O-N 3.26Å
26S71.5Confident78.2Confident71 Ų71107.7 Ų107.750%0.49759%0.588SS.*  trans-68136176.1590000110.6G24 G28G24-S26 PolarHBondContact O-N 3.2Å; G24-S26 VanDerWaalsContact O-N 3.12Å; S26-G28 PolarHBondContact O-N 3.24Å
27P70.6Confident77.3Confident103 Ų103110 Ų11067%0.66960%0.603SS**THydrogen-bonded Turntrans-64.6-19.517925.3-32.9000112.6
28G65.7Low76.4Confident59 Ų59116.8 Ų116.861%0.60863%0.625SS**THydrogen-bonded Turntrans-76.5-19.5-171.700000116.2S26S26-G28 PolarHBondContact O-N 3.24Å
29R59.8Low75.5Confident151 Ų151118.9 Ų118.957%0.5764%0.635SS**THydrogen-bonded Turntrans-113-24.1-175.8-145.7177.3-158.3-111.4-0.5114.5G31 E32 E33R29-G31 PolarHBondContact O-N 3.41Å; R29-G31 VanDerWaalsContact O-N 3.13Å; R29-E32 PolarHBondContact O-N 3.37Å; R29-E33 IonicContact CZ-OE1 3.7Å; R29-E33 IonicContact CZ-OE2 2.75Å; R29-E33 IonicContact NH1-OE1 2.72Å; R29-E33 PolarHBondContact NH1-OE1 3.18Å; R29-E33 IonicContact NH1-OE2 3.67Å; R29-E33 PolarHBondContact NH1-OE2 3.17Å; R29-E33 PolarHBondContact O-N 2.97Å
30A58Low74.2Confident83 Ų83126.3 Ų126.369%0.68666%0.658SS**THydrogen-bonded Turntrans-66.3-17.1-173.300000114.2
31G60.5Low73.2Confident61 Ų61124.8 Ų124.863%0.62966%0.663SS**THydrogen-bonded Turntrans-91.1-23177.200000115R29R29-G31 PolarHBondContact O-N 3.41Å; R29-G31 VanDerWaalsContact O-N 3.13Å
32E61.3Low72Confident171 Ų171124.6 Ų124.680%0.79968%0.677SS**THydrogen-bonded Turntrans-99.2-25.3-173-60.7-173.9176.500112.2R29 L34R29-E32 PolarHBondContact O-N 3.37Å; E32-L34 VanDerWaalsContact C-N 3.33Å; E32-L34 PolarHBondContact O-N 3.11Å; E32-L34 VanDerWaalsContact O-N 3.13Å
33E60.7Low70.8Confident111 Ų111128.1 Ų128.152%0.51969%0.688SS.*  trans-91.967.6-179.3-147.9165.2-150.200110.8R29 I35R29-E33 IonicContact CZ-OE1 3.7Å; R29-E33 IonicContact CZ-OE2 2.75Å; R29-E33 IonicContact NH1-OE1 2.72Å; R29-E33 PolarHBondContact NH1-OE1 3.18Å; R29-E33 IonicContact NH1-OE2 3.67Å; R29-E33 PolarHBondContact NH1-OE2 3.17Å; R29-E33 PolarHBondContact O-N 2.97Å; E33-I35 PolarHBondContact O-N 2.75Å
34L73.2Confident69Low165 Ų165123.7 Ų123.786%0.86468%0.682SS**  trans-69.494.6167.1-72.7155.3000108.5E32E32-L34 VanDerWaalsContact C-N 3.33Å; E32-L34 PolarHBondContact O-N 3.11Å; E32-L34 VanDerWaalsContact O-N 3.13Å
35I73.5Confident67.6Low134 Ų134131.4 Ų131.469%0.68769%0.691SS**  trans-77.6122.1168.438168.6000109.9E33 L37E33-I35 PolarHBondContact O-N 2.75Å; I35-L37 PolarHBondContact O-N 3.26Å
36E75.5Confident66.5Low173 Ų173132.6 Ų132.681%0.80871%0.705SS**  trans-68.595.6170.2-169.9-177.1178.600108.9R38E36-R38 PolarHBondContact O-N 2.93Å
37L75.1Confident65.5Low132 Ų132132.3 Ų132.369%0.69171%0.713SS**  trans-67.1107.1169.6-71.9171.6000108I35 V39I35-L37 PolarHBondContact O-N 3.26Å; L37-V39 HydrophobicContact CB-CG2 4Å; L37-V39 WeakPolarHBondContact O-CG2 3.44Å; L37-V39 PolarHBondContact O-N 3.47Å
38R75.4Confident64.6Low230 Ų230133.6 Ų133.687%0.86873%0.725SS**  trans-67.975.6165.6-69.8-172.8176.51780.6109.3E36 R40E36-R38 PolarHBondContact O-N 2.93Å; R38-R40 PolarHBondContact O-N 2.87Å
39V72.9Confident64.1Low110 Ų110133.6 Ų133.667%0.66773%0.725SS**  trans-72.7116.7171.4-148.10000106.3L37 P41L37-V39 HydrophobicContact CB-CG2 4Å; L37-V39 WeakPolarHBondContact O-CG2 3.44Å; L37-V39 PolarHBondContact O-N 3.47Å; V39-P41 WeakPolarHBondContact O-CD 3.36Å; V39-P41 VanDerWaalsContact O-N 3.14Å
40R68.3Low64Low222 Ų222132.5 Ų132.584%0.83874%0.735SS**  trans-58.8121.1163.9-69.7-175.6100.7171.47.3105.4R38 V42R38-R40 PolarHBondContact O-N 2.87Å; R40-V42 PolarHBondContact O-N 3.31Å
41P69.5Low64Low85 Ų85134.3 Ų134.355%0.55274%0.74SS**  trans-70.3106.7-175.4-114.9000106.4V39 L43 S44V39-P41 WeakPolarHBondContact O-CD 3.36Å; V39-P41 VanDerWaalsContact O-N 3.14Å; P41-L43 PolarHBondContact O-N 3Å; P41-S44 WeakPolarHBondContact CB-OG 3.24Å; P41-S44 WeakPolarHBondContact CD-OG 3.41Å; P41-S44 WeakPolarHBondContact CG-OG 3.16Å; P41-S44 PolarHBondContact O-N 3.38Å; P41-S44 VanDerWaalsContact O-N 3.13Å; P41-S44 PolarHBondContact O-OG 3.43Å; P41-S44 VanDerWaalsContact O-OG 3.05Å
42V67.1Low64Low137 Ų137135.7 Ų135.783%0.8373%0.732SS**THydrogen-bonded Turntrans-59.5-15.3178.6-176.50000110.4R40R40-V42 PolarHBondContact O-N 3.31Å
43L64.2Low64.5Low168 Ų168131.7 Ų131.788%0.8872%0.721SS**THydrogen-bonded Turntrans-119.13.9-179.1-57.8177000114.8P41 R45P41-L43 PolarHBondContact O-N 3Å; L43-R45 PolarHBondContact O-N 2.9Å; L43-R45 VanDerWaalsContact O-N 3.12Å
44S56.3Low65.2Low69 Ų69136.6 Ų136.648%0.48374%0.735SS.*SBendtrans-78.4104.7168.652.20000108.3P41P41-S44 WeakPolarHBondContact CB-OG 3.24Å; P41-S44 WeakPolarHBondContact CD-OG 3.41Å; P41-S44 WeakPolarHBondContact CG-OG 3.16Å; P41-S44 PolarHBondContact O-N 3.38Å; P41-S44 VanDerWaalsContact O-N 3.13Å; P41-S44 PolarHBondContact O-OG 3.43Å; P41-S44 VanDerWaalsContact O-OG 3.05Å
45R58.8Low65.5Low225 Ų225132.3 Ų132.385%0.84972%0.723SS**  trans34.1121.3150.2-137.6150.676.5174.76.4114.9L43 G47L43-R45 PolarHBondContact O-N 2.9Å; L43-R45 VanDerWaalsContact O-N 3.12Å; R45-G47 PolarHBondContact O-N 2.82Å
46P58.3Low65.9Low124 Ų124129.3 Ų129.381%0.80571%0.708SS**  trans-47.2118.5178.722.5-32.2000107.4S48P46-S48 PolarHBondContact O-N 2.89Å
47G50.5Low66.2Low66 Ų66127.3 Ų127.368%0.6870%0.699SS**  trans-46.3138.117700000106.7R45 G49R45-G47 PolarHBondContact O-N 2.82Å; G47-G49 PolarHBondContact O-N 3.46Å
48S51.3Low66.9Low129 Ų129130.8 Ų130.890%0.90270%0.703SS**  trans-6359.3174.6540000110.4P46P46-S48 PolarHBondContact O-N 2.89Å
49G54.9Low67.6Low60 Ų60122.7 Ų122.762%0.61969%0.685SS**  trans-74.9119.7151.200000104.5G47 P51G47-G49 PolarHBondContact O-N 3.46Å; G49-P51 VanDerWaalsContact O-N 3.14Å
50T58.4Low68.5Low127 Ų127124.8 Ų124.878%0.77968%0.681SS**  trans-40.5124.5165.530.10000107.8L52T50-L52 PolarHBondContact O-N 2.97Å
51P58Low69.6Low121 Ų121117.1 Ų117.179%0.78667%0.665SS**  trans-56.8109.7175.423.1-30.9000105.7G49G49-P51 VanDerWaalsContact O-N 3.14Å
52L60.1Low70.8Confident90 Ų90114.6 Ų114.647%0.47165%0.654SS.*  trans-49.1130.3166.7-85.5155.2000104.9T50 R54 L56T50-L52 PolarHBondContact O-N 2.97Å; L52-R54 PolarHBondContact O-N 3.23Å; L52-R54 VanDerWaalsContact O-N 3.08Å; L52-L56 HydrophobicContact CD2-CD2 3.42Å; L52-L56 VanDerWaalsContact CD2-CD2 3.42Å; L52-L56 HydrophobicContact CD2-CG 4.29Å
53P72.8Confident72.2Confident87 Ų87110.4 Ų110.457%0.56563%0.634SS**  trans-48.2128-177.8-26.132.1000107.6A55 L56 E57P53-A55 CarbonylContact O-C 3.51Å; P53-A55 PolarHBondContact O-N 3.45Å; P53-L56 WeakPolarHBondContact O-CB 3.48Å; P53-L56 PolarHBondContact O-N 3.12Å; P53-E57 PolarHBondContact O-N 3.23Å
54R75Confident73.7Confident215 Ų215108.6 Ų108.681%0.81162%0.619SS**Hα-helixtrans-47.7-28.4-177.3-72.7-178.5176.1159.6-1.3112.1L52 E57 R58L52-R54 PolarHBondContact O-N 3.23Å; L52-R54 VanDerWaalsContact O-N 3.08Å; R54-E57 PolarHBondContact O-N 3.37Å; R54-R58 VanDerWaalsContact O-CB 3.28Å; R54-R58 WeakPolarHBondContact O-CB 3.24Å; R54-R58 PolarHBondContact O-N 3.37Å
55A79.2Confident75.6Confident74 Ų74110.8 Ų110.861%0.61262%0.623SS**Hα-helixtrans-55.7-45.8170.700000114.1P53 R58 A59P53-A55 CarbonylContact O-C 3.51Å; P53-A55 PolarHBondContact O-N 3.45Å; A55-R58 PolarHBondContact O-N 3.46Å; A55-A59 VanDerWaalsContact O-CB 3.27Å; A55-A59 WeakPolarHBondContact O-CB 3.49Å; A55-A59 PolarHBondContact O-N 3.46Å
56L82.1Confident77.5Confident72 Ų72104.5 Ų104.538%0.37760%0.604SS.*Hα-helixtrans-71.7-37.3179.7-176.654.4000112.1L52 P53 A59 R60L52-L56 HydrophobicContact CD2-CD2 3.42Å; L52-L56 VanDerWaalsContact CD2-CD2 3.42Å; L52-L56 HydrophobicContact CD2-CG 4.29Å; P53-L56 WeakPolarHBondContact O-CB 3.48Å; P53-L56 PolarHBondContact O-N 3.12Å; L56-A59 PolarHBondContact O-N 3.48Å; L56-R60 WeakPolarHBondContact O-CG 3.36Å; L56-R60 PolarHBondContact O-N 3.11Å
57E82.3Confident79.4Confident131 Ų131106.9 Ų106.961%0.61260%0.596SS**Hα-helixtrans-64.6-45.9172.8-172-178.9-178.700111P53 R54 A59 R60 A61P53-E57 PolarHBondContact O-N 3.23Å; R54-E57 PolarHBondContact O-N 3.37Å; E57-A59 VanDerWaalsContact C-N 3.33Å; E57-A59 PolarHBondContact O-N 3.15Å; E57-R60 PolarHBondContact O-N 2.8Å; E57-A61 WeakPolarHBondContact O-CB 3.44Å; E57-A61 PolarHBondContact O-N 3.48Å
58R88.5Confident81.6Confident204 Ų204106.8 Ų106.877%0.7758%0.58SS**Hα-helixtrans-62.9-38.5176.1-161.7-178.9-166.7118.3-0.3112R54 A55 A61 G62R54-R58 VanDerWaalsContact O-CB 3.28Å; R54-R58 WeakPolarHBondContact O-CB 3.24Å; R54-R58 PolarHBondContact O-N 3.37Å; A55-R58 PolarHBondContact O-N 3.46Å; R58-A61 PolarHBondContact O-N 2.91Å; R58-G62 PolarHBondContact O-N 3.48Å
59A90.4Very high83.8Confident60 Ų60104.9 Ų104.950%0.49656%0.559SS.*Hα-helixtrans-64.1-42.9174.900000111.7A55 L56 E57 G62 A63A55-A59 VanDerWaalsContact O-CB 3.27Å; A55-A59 WeakPolarHBondContact O-CB 3.49Å; A55-A59 PolarHBondContact O-N 3.46Å; L56-A59 PolarHBondContact O-N 3.48Å; E57-A59 VanDerWaalsContact C-N 3.33Å; E57-A59 PolarHBondContact O-N 3.15Å; A59-G62 PolarHBondContact O-N 3.45Å; A59-A63 WeakPolarHBondContact O-CB 3.34Å; A59-A63 PolarHBondContact O-N 2.83Å
60R91.7Very high85.8Confident155 Ų155107.3 Ų107.359%0.58555%0.554SS**Hα-helixtrans-64.8-45175.2-73.3177.3-175.5-173.11.9112.1L56 E57 A63 K64L56-R60 WeakPolarHBondContact O-CG 3.36Å; L56-R60 PolarHBondContact O-N 3.11Å; E57-R60 PolarHBondContact O-N 2.8Å; R60-A63 PolarHBondContact O-N 3.43Å; R60-K64 PolarHBondContact O-N 2.85Å
61A92Very high87.6Confident60 Ų60109.9 Ų109.950%0.49655%0.55SS..Hα-helixtrans-62.6-43.1176.500000111.7E57 R58 K64 M65E57-A61 WeakPolarHBondContact O-CB 3.44Å; E57-A61 PolarHBondContact O-N 3.48Å; R58-A61 PolarHBondContact O-N 2.91Å; A61-K64 PolarHBondContact O-N 3.12Å; A61-M65 WeakPolarHBondContact O-CB 3.27Å; A61-M65 PolarHBondContact O-N 2.71Å
62G94.7Very high89.5Confident32 Ų32107.2 Ų107.233%0.3353%0.527SS..Hα-helixtrans-61.7-44.7174.800000112.5R58 A59 K64 M65 Q66R58-G62 PolarHBondContact O-N 3.48Å; A59-G62 PolarHBondContact O-N 3.45Å; G62-K64 VanDerWaalsContact C-N 3.34Å; G62-K64 PolarHBondContact O-N 3.32Å; G62-M65 PolarHBondContact O-N 3.46Å; G62-Q66 WeakPolarHBondContact O-CB 3.5Å; G62-Q66 PolarHBondContact O-N 2.7Å
63A95.7Very high91.2Very high50 Ų50105.6 Ų105.641%0.41353%0.526SS..Hα-helixtrans-63.1-38176.200000112.5A59 R60 R67A59-A63 WeakPolarHBondContact O-CB 3.34Å; A59-A63 PolarHBondContact O-N 2.83Å; R60-A63 PolarHBondContact O-N 3.43Å; A63-R67 WeakPolarHBondContact O-CG 3.47Å; A63-R67 PolarHBondContact O-N 3.24Å
64K96.7Very high92.3Very high130 Ų130108.3 Ų108.357%0.56553%0.531SS*.Hα-helixtrans-64.3-48.9173.3-175.4-175.2178.2-63.80111R60 A61 G62 Q66 R67 D68R60-K64 PolarHBondContact O-N 2.85Å; A61-K64 PolarHBondContact O-N 3.12Å; G62-K64 VanDerWaalsContact C-N 3.34Å; G62-K64 PolarHBondContact O-N 3.32Å; K64-Q66 VanDerWaalsContact C-N 3.3Å; K64-Q66 PolarHBondContact O-N 2.72Å; K64-R67 PolarHBondContact O-N 3.3Å; K64-D68 IonicContact NZ-OD2 3.67Å; K64-D68 PolarHBondContact NZ-OD2 3.04Å; K64-D68 PolarHBondContact O-N 3.29Å; K64-D68 VanDerWaalsContact O-N 3.09Å
65M97.3Very high93.2Very high115 Ų115104.2 Ų104.257%0.56752%0.516SS*.Hα-helixtrans-60-40.8-179.8-171.9177.471.100111.8A61 G62 R67 D68 I69A61-M65 WeakPolarHBondContact O-CB 3.27Å; A61-M65 PolarHBondContact O-N 2.71Å; G62-M65 PolarHBondContact O-N 3.46Å; M65-R67 PolarHBondContact O-N 3.05Å; M65-D68 WeakPolarHBondContact O-CB 3.44Å; M65-D68 PolarHBondContact O-N 2.64Å; M65-D68 VanDerWaalsContact O-N 3.12Å; M65-I69 HydrophobicContact CG-CD1 4.2Å; M65-I69 WeakPolarHBondContact O-CG1 3.38Å; M65-I69 PolarHBondContact O-N 3.19Å
66Q97.4Very high93.8Very high93 Ų93105.5 Ų105.544%0.43551%0.509SS..Hα-helixtrans-60.3-43.9177.1-17558.734.200112.2G62 K64 D68 I69 E70G62-Q66 WeakPolarHBondContact O-CB 3.5Å; G62-Q66 PolarHBondContact O-N 2.7Å; K64-Q66 VanDerWaalsContact C-N 3.3Å; K64-Q66 PolarHBondContact O-N 2.72Å; Q66-D68 VanDerWaalsContact C-N 3.28Å; Q66-D68 PolarHBondContact O-N 2.88Å; Q66-I69 PolarHBondContact O-N 2.92Å; Q66-E70 WeakPolarHBondContact CG-OE1 3.33Å; Q66-E70 PolarHBondContact NE2-OE1 3.3Å; Q66-E70 WeakPolarHBondContact O-CG 3.42Å; Q66-E70 PolarHBondContact O-N 3.49Å
67R97.7Very high94.3Very high173 Ų173105 Ų10565%0.65352%0.515SS*.Hα-helixtrans-62.3-36.6174.3-68.5172.7-179.4-173.3-0.6112.3A63 K64 M65 R71A63-R67 WeakPolarHBondContact O-CG 3.47Å; A63-R67 PolarHBondContact O-N 3.24Å; K64-R67 PolarHBondContact O-N 3.3Å; M65-R67 PolarHBondContact O-N 3.05Å; R67-R71 WeakPolarHBondContact O-CB 3.34Å; R67-R71 PolarHBondContact O-N 3.25Å
68D97.4Very high94.6Very high65 Ų65101.9 Ų101.935%0.34851%0.512SS..Hα-helixtrans-69.3-39.3178.2-66.8-20.8000110.7K64 M65 Q66 R71 E72K64-D68 IonicContact NZ-OD2 3.67Å; K64-D68 PolarHBondContact NZ-OD2 3.04Å; K64-D68 PolarHBondContact O-N 3.29Å; K64-D68 VanDerWaalsContact O-N 3.09Å; M65-D68 WeakPolarHBondContact O-CB 3.44Å; M65-D68 PolarHBondContact O-N 2.64Å; M65-D68 VanDerWaalsContact O-N 3.12Å; Q66-D68 VanDerWaalsContact C-N 3.28Å; Q66-D68 PolarHBondContact O-N 2.88Å; D68-R71 PolarHBondContact O-N 3.08Å; D68-E72 WeakPolarHBondContact O-CB 3.28Å; D68-E72 PolarHBondContact O-N 3.05Å
69I96.7Very high94.4Very high89 Ų8998.4 Ų98.446%0.45651%0.508SS..Hα-helixtrans-62.7-47.9173.8-67.9165.3000111.2M65 Q66 R71 E72 A73M65-I69 HydrophobicContact CG-CD1 4.2Å; M65-I69 WeakPolarHBondContact O-CG1 3.38Å; M65-I69 PolarHBondContact O-N 3.19Å; Q66-I69 PolarHBondContact O-N 2.92Å; I69-R71 VanDerWaalsContact C-N 3.33Å; I69-R71 PolarHBondContact O-N 3.37Å; I69-E72 PolarHBondContact O-N 3.16Å; I69-A73 WeakPolarHBondContact O-CB 3.5Å; I69-A73 PolarHBondContact O-N 2.7Å
70E97.3Very high94Very high110 Ų11099.4 Ų99.451%0.51452%0.516SS..Hα-helixtrans-63-40.4179.4-74165.2-165.900112Q66 A73 H74Q66-E70 WeakPolarHBondContact CG-OE1 3.33Å; Q66-E70 PolarHBondContact NE2-OE1 3.3Å; Q66-E70 WeakPolarHBondContact O-CG 3.42Å; Q66-E70 PolarHBondContact O-N 3.49Å; E70-A73 PolarHBondContact O-N 3.17Å; E70-H74 PolarHBondContact O-N 3.03Å
71R97.5Very high92.7Very high181 Ų18195.7 Ų95.768%0.68351%0.514SS*.Hα-helixtrans-63.6-42.1175.2-172.2-171.4-53.4-122.7-2.7111.9R67 D68 I69 R75R67-R71 WeakPolarHBondContact O-CB 3.34Å; R67-R71 PolarHBondContact O-N 3.25Å; D68-R71 PolarHBondContact O-N 3.08Å; I69-R71 VanDerWaalsContact C-N 3.33Å; I69-R71 PolarHBondContact O-N 3.37Å; R71-R75 PolarHBondContact O-N 2.89Å; R71-R75 VanDerWaalsContact O-N 3.09Å
72E96.2Very high91.2Very high65 Ų6597.8 Ų97.830%0.30452%0.523SS..Hα-helixtrans-64.3-46.2173.9174.961.1105.200111D68 I69 H74 R75 Q76D68-E72 WeakPolarHBondContact O-CB 3.28Å; D68-E72 PolarHBondContact O-N 3.05Å; I69-E72 PolarHBondContact O-N 3.16Å; E72-H74 VanDerWaalsContact C-N 3.31Å; E72-H74 PolarHBondContact O-N 3.34Å; E72-R75 WeakPolarHBondContact O-CA 3.08Å; E72-R75 WeakPolarHBondContact O-CB 3.4Å; E72-R75 PolarHBondContact O-N 3.24Å; E72-R75 IonicContact OE1-CZ 3.05Å; E72-R75 IonicContact OE1-NH1 2.68Å; E72-R75 PolarHBondContact OE1-NH1 3.05Å; E72-R75 IonicContact OE1-NH2 2.77Å; E72-R75 PolarHBondContact OE1-NH2 2.98Å; E72-R75 IonicContact OE2-CZ 2.7Å; E72-R75 IonicContact OE2-NE 3.25Å; E72-R75 PolarHBondContact OE2-NE 2.84Å; E72-R75 IonicContact OE2-NH1 2.8Å; E72-R75 PolarHBondContact OE2-NH1 3.13Å; E72-R75 IonicContact OE2-NH2 2.87Å; E72-R75 PolarHBondContact OE2-NH2 3.12Å; E72-Q76 HydrophobicContact CG-CG 4.38Å; E72-Q76 WeakPolarHBondContact O-CG 3.38Å; E72-Q76 PolarHBondContact O-N 3.3Å; E72-Q76 PolarHBondContact OE2-NE2 2.98Å
73A96.2Very high89.4Confident56 Ų56100.7 Ų100.746%0.46354%0.543SS..Hα-helixtrans-57.6-4317700000112.2I69 E70 R75 Q76 A77I69-A73 WeakPolarHBondContact O-CB 3.5Å; I69-A73 PolarHBondContact O-N 2.7Å; E70-A73 PolarHBondContact O-N 3.17Å; A73-R75 VanDerWaalsContact C-N 3.33Å; A73-R75 PolarHBondContact O-N 3.13Å; A73-Q76 PolarHBondContact O-N 3.39Å; A73-A77 WeakPolarHBondContact O-CB 3.11Å; A73-A77 PolarHBondContact O-N 2.89Å
74H95.4Very high87.8Confident145 Ų145104.6 Ų104.667%0.67156%0.562SS**Hα-helixtrans-62.8-39.6174.3-174.8-73.8000112.2E70 E72 A77 A78E70-H74 PolarHBondContact O-N 3.03Å; E72-H74 VanDerWaalsContact C-N 3.31Å; E72-H74 PolarHBondContact O-N 3.34Å; H74-A77 PolarHBondContact O-N 3.13Å; H74-A78 WeakPolarHBondContact O-CB 3.35Å; H74-A78 PolarHBondContact O-N 3.3Å
75R94.3Very high85.9Confident128 Ų128103.6 Ų103.648%0.48357%0.568SS.*Hα-helixtrans-63.4-47175.6-162.6-152.8-42.3142.711.8111.2R71 E72 A73 A77 A78 L79R71-R75 PolarHBondContact O-N 2.89Å; R71-R75 VanDerWaalsContact O-N 3.09Å; E72-R75 WeakPolarHBondContact O-CA 3.08Å; E72-R75 WeakPolarHBondContact O-CB 3.4Å; E72-R75 PolarHBondContact O-N 3.24Å; E72-R75 IonicContact OE1-CZ 3.05Å; E72-R75 IonicContact OE1-NH1 2.68Å; E72-R75 PolarHBondContact OE1-NH1 3.05Å; E72-R75 IonicContact OE1-NH2 2.77Å; E72-R75 PolarHBondContact OE1-NH2 2.98Å; E72-R75 IonicContact OE2-CZ 2.7Å; E72-R75 IonicContact OE2-NE 3.25Å; E72-R75 PolarHBondContact OE2-NE 2.84Å; E72-R75 IonicContact OE2-NH1 2.8Å; E72-R75 PolarHBondContact OE2-NH1 3.13Å; E72-R75 IonicContact OE2-NH2 2.87Å; E72-R75 PolarHBondContact OE2-NH2 3.12Å; A73-R75 VanDerWaalsContact C-N 3.33Å; A73-R75 PolarHBondContact O-N 3.13Å; R75-A77 VanDerWaalsContact C-N 3.34Å; R75-A77 PolarHBondContact O-N 2.95Å; R75-A78 PolarHBondContact O-N 2.77Å; R75-L79 WeakPolarHBondContact O-CG 3.37Å; R75-L79 PolarHBondContact O-N 3.04Å; R75-L79 VanDerWaalsContact O-N 3.1Å
76Q93Very high84Confident102 Ų102105.6 Ų105.648%0.47758%0.576SS.*Hα-helixtrans-60.8-42.9176.4-64.4-64.7-54.200111.2E72 A73 A78 L79 A80E72-Q76 HydrophobicContact CG-CG 4.38Å; E72-Q76 WeakPolarHBondContact O-CG 3.38Å; E72-Q76 PolarHBondContact O-N 3.3Å; E72-Q76 PolarHBondContact OE2-NE2 2.98Å; A73-Q76 PolarHBondContact O-N 3.39Å; Q76-A78 PolarHBondContact O-N 3.5Å; Q76-L79 PolarHBondContact O-N 3.3Å; Q76-A80 VanDerWaalsContact O-CB 3.31Å; Q76-A80 WeakPolarHBondContact O-CB 3.49Å; Q76-A80 PolarHBondContact O-N 2.86Å
77A91.3Very high82Confident60 Ų60106.9 Ų106.950%0.49659%0.593SS.*Hα-helixtrans-63.6-39.7177.600000112.5A73 H74 R75 L79 A80 S81A73-A77 WeakPolarHBondContact O-CB 3.11Å; A73-A77 PolarHBondContact O-N 2.89Å; H74-A77 PolarHBondContact O-N 3.13Å; R75-A77 VanDerWaalsContact C-N 3.34Å; R75-A77 PolarHBondContact O-N 2.95Å; A77-L79 VanDerWaalsContact C-N 3.3Å; A77-L79 PolarHBondContact O-N 3.48Å; A77-A80 PolarHBondContact O-N 3.26Å; A77-S81 PolarHBondContact O-N 2.94Å
78A88.5Confident79.6Confident66 Ų66103.6 Ų103.655%0.54560%0.596SS.*Hα-helixtrans-65.2-32.9174.900000112.6H74 R75 Q76H74-A78 WeakPolarHBondContact O-CB 3.35Å; H74-A78 PolarHBondContact O-N 3.3Å; R75-A78 PolarHBondContact O-N 2.77Å; Q76-A78 PolarHBondContact O-N 3.5Å
79L85.8Confident77.1Confident132 Ų132104.5 Ų104.569%0.69161%0.613SS**Hα-helixtrans-77.8-34.5174.9-67.7171.8000112.8R75 Q76 A77R75-L79 WeakPolarHBondContact O-CG 3.37Å; R75-L79 PolarHBondContact O-N 3.04Å; R75-L79 VanDerWaalsContact O-N 3.1Å; Q76-L79 PolarHBondContact O-N 3.3Å; A77-L79 VanDerWaalsContact C-N 3.3Å; A77-L79 PolarHBondContact O-N 3.48Å
80A82.4Confident75Confident80 Ų80111.6 Ų111.666%0.66163%0.634SS**Hα-helixtrans-79.7-23.7-179.600000112.9Q76 A77 P82Q76-A80 VanDerWaalsContact O-CB 3.31Å; Q76-A80 WeakPolarHBondContact O-CB 3.49Å; Q76-A80 PolarHBondContact O-N 2.86Å; A77-A80 PolarHBondContact O-N 3.26Å; A80-P82 VanDerWaalsContact O-CD 3.23Å; A80-P82 WeakPolarHBondContact O-CD 3.39Å; A80-P82 VanDerWaalsContact O-N 3.12Å
81S64.1Low72.6Confident77 Ų77118.7 Ų118.754%0.53866%0.656SS.*SBendtrans-62.5113.8170.2-161.60000107.4A77 A83A77-S81 PolarHBondContact O-N 2.94Å; S81-A83 PolarHBondContact O-N 2.94Å
82P59.4Low70.9Confident105 Ų105120.3 Ų120.368%0.68266%0.662SS**  trans-58.4113.2176.624.7-31.7000106.2A80 V84A80-P82 VanDerWaalsContact O-CD 3.23Å; A80-P82 WeakPolarHBondContact O-CD 3.39Å; A80-P82 VanDerWaalsContact O-N 3.12Å; P82-V84 PolarHBondContact O-N 2.96Å
83A58.2Low69.2Low93 Ų93123.1 Ų123.177%0.76969%0.686SS**  trans-46117.5168.200000106S81S81-A83 PolarHBondContact O-N 2.94Å
84V61.6Low67.6Low131 Ų131126.3 Ų126.379%0.79469%0.692SS**  trans-40.7119.6-174.5172.30000107.4P82 E86P82-V84 PolarHBondContact O-N 2.96Å; V84-E86 PolarHBondContact O-N 3.07Å
85P56.6Low66.5Low109 Ų109123.3 Ų123.371%0.70869%0.685SS**  trans-62.4108.8-179.323.4-30.5000106.7
86E57.8Low65.6Low157 Ų157122.6 Ų122.673%0.73469%0.69SS**  trans-39.7125.3161.2-91.5-71.9135.100107.6V84 S88V84-E86 PolarHBondContact O-N 3.07Å; E86-S88 PolarHBondContact O-N 2.75Å
87P54.1Low64.8Low120 Ų120123 Ų12378%0.77970%0.696SS**  trans-74.561.3-178.131.3-34000110A89P87-A89 VanDerWaalsContact C-N 3.34Å; P87-A89 PolarHBondContact O-N 2.84Å; P87-A89 VanDerWaalsContact O-N 3.11Å
88S47.7Very low64.2Low104 Ų104125.2 Ų125.273%0.72770%0.695SS**  trans-8288.4167.7-84.60000109.1E86E86-S88 PolarHBondContact O-N 2.75Å
89A45.4Very low63.9Low85 Ų85126.4 Ų126.470%0.70269%0.692SS**SBendtrans28.7117.6134.800000117.6P87P87-A89 VanDerWaalsContact C-N 3.34Å; P87-A89 PolarHBondContact O-N 2.84Å; P87-A89 VanDerWaalsContact O-N 3.11Å
90R51.5Low63.7Low238 Ų238126.6 Ų126.690%0.89869%0.687SS**  trans73.979.1156.6-58.9-179178.7175.7-0.3115.7R92R90-R92 PolarHBondContact O-N 3.5Å
91R48.7Very low63.8Low258 Ų258130.4 Ų130.497%0.97469%0.685SS**  trans-35.998.3150.3-168176174.8-175.4-2111.6
92R61.5Low64.6Low216 Ų216134.3 Ų134.382%0.81569%0.692SS**PPolyproline II helixtrans-98.3135154.6-79.8-170.8173.4-172.9-1107.4R90 Q94R90-R92 PolarHBondContact O-N 3.5Å; R92-Q94 PolarHBondContact O-N 3.34Å
93P59Low65.7Low123 Ų123136.6 Ų136.680%0.79969%0.692SS**PPolyproline II helixtrans-62128.2178.226-31.5000109
94Q63.2Low67Low124 Ų124137.5 Ų137.558%0.57968%0.68SS**PPolyproline II helixtrans-82.4128.8-167.7-63.2-161.212.200110.8R92 L96 D97R92-Q94 PolarHBondContact O-N 3.34Å; Q94-L96 PolarHBondContact O-N 3.46Å; Q94-D97 PolarHBondContact O-N 2.93Å
95P73.5Confident67.7Low82 Ų82134 Ų13453%0.53267%0.665SS.*Hα-helixtrans-59.6-12.6176.122.6-32.2000113.5E98 L99P95-E98 WeakPolarHBondContact O-CB 3.32Å; P95-E98 PolarHBondContact O-N 3.39Å; P95-L99 WeakPolarHBondContact O-CD1 3.43Å; P95-L99 PolarHBondContact O-N 2.91Å; P95-L99 VanDerWaalsContact O-N 3.09Å
96L75Confident68.4Low112 Ų112132.1 Ų132.159%0.58666%0.659SS**Hα-helixtrans-66.6-34.8177.6-74.2162.7000113.7Q94 E98 L99 K100Q94-L96 PolarHBondContact O-N 3.46Å; L96-E98 VanDerWaalsContact C-N 3.28Å; L96-E98 PolarHBondContact O-N 3.22Å; L96-L99 PolarHBondContact O-N 3.35Å; L96-K100 WeakPolarHBondContact O-CB 3.36Å; L96-K100 PolarHBondContact O-N 3.06Å
97D75Confident68.9Low112 Ų112127.5 Ų127.560%0.59965%0.647SS**Hα-helixtrans-69.4-29.9176-85.5-19.7000111.6Q94 R101Q94-D97 PolarHBondContact O-N 2.93Å; D97-R101 WeakPolarHBondContact O-CG 3.41Å; D97-R101 PolarHBondContact O-N 3.17Å; D97-R101 PolarHBondContact O-NE 3.28Å
98E79.5Confident69.3Low105 Ų105128.4 Ų128.449%0.49164%0.641SS.*Hα-helixtrans-67.8-48.9170.5-75.4166.3-162.200111P95 L96 K100 R101 F102P95-E98 WeakPolarHBondContact O-CB 3.32Å; P95-E98 PolarHBondContact O-N 3.39Å; L96-E98 VanDerWaalsContact C-N 3.28Å; L96-E98 PolarHBondContact O-N 3.22Å; E98-K100 VanDerWaalsContact C-N 3.31Å; E98-K100 PolarHBondContact O-N 3.11Å; E98-R101 PolarHBondContact O-N 3.5Å; E98-F102 VanDerWaalsContact O-CD2 3.24Å; E98-F102 WeakPolarHBondContact O-CD2 3.34Å; E98-F102 PolarHBondContact O-N 3Å; E98-F102 VanDerWaalsContact O-N 3.11Å
99L81Confident70Confident91 Ų91131.1 Ų131.148%0.47665%0.647SS.*Hα-helixtrans-59.4-39.7175.8-87.6102.7000112.6P95 L96 R101 F102 F103P95-L99 WeakPolarHBondContact O-CD1 3.43Å; P95-L99 PolarHBondContact O-N 2.91Å; P95-L99 VanDerWaalsContact O-N 3.09Å; L96-L99 PolarHBondContact O-N 3.35Å; L99-R101 VanDerWaalsContact C-N 3.34Å; L99-R101 PolarHBondContact O-N 3.25Å; L99-F102 WeakPolarHBondContact O-CB 3.4Å; L99-F102 PolarHBondContact O-N 2.85Å; L99-F102 VanDerWaalsContact O-N 3.17Å; L99-F103 HydrophobicContact CD2-CE2 4.4Å; L99-F103 WeakPolarHBondContact O-CD2 3.48Å; L99-F103 PolarHBondContact O-N 3.39Å
100K83.5Confident70.5Confident136 Ų136130.2 Ų130.259%0.59165%0.646SS**Hα-helixtrans-60.3-44177-172.5-178.4174.4-170.40111.6L96 E98 F102 F103 E104L96-K100 WeakPolarHBondContact O-CB 3.36Å; L96-K100 PolarHBondContact O-N 3.06Å; E98-K100 VanDerWaalsContact C-N 3.31Å; E98-K100 PolarHBondContact O-N 3.11Å; K100-F102 VanDerWaalsContact C-N 3.3Å; K100-F102 PolarHBondContact O-N 3.21Å; K100-F103 PolarHBondContact O-N 3.04Å; K100-E104 WeakPolarHBondContact O-CB 3.28Å; K100-E104 PolarHBondContact O-N 2.86Å
101R84.2Confident70.4Confident160 Ų160122 Ų12260%0.60463%0.629SS**Hα-helixtrans-62.1-35.9175.4-72.4-176.5-67.1172.70.8112.5D97 E98 L99 A105D97-R101 WeakPolarHBondContact O-CG 3.41Å; D97-R101 PolarHBondContact O-N 3.17Å; D97-R101 PolarHBondContact O-NE 3.28Å; E98-R101 PolarHBondContact O-N 3.5Å; L99-R101 VanDerWaalsContact C-N 3.34Å; L99-R101 PolarHBondContact O-N 3.25Å; R101-A105 VanDerWaalsContact O-CB 3.24Å; R101-A105 WeakPolarHBondContact O-CB 3.48Å; R101-A105 PolarHBondContact O-N 3.29Å
102F81.1Confident70.4Confident159 Ų159113.3 Ų113.370%0.69762%0.62SS**Hα-helixtrans-62-42.5174.4-86.6-76.9000112.7E98 L99 K100 A106E98-F102 VanDerWaalsContact O-CD2 3.24Å; E98-F102 WeakPolarHBondContact O-CD2 3.34Å; E98-F102 PolarHBondContact O-N 3Å; E98-F102 VanDerWaalsContact O-N 3.11Å; L99-F102 WeakPolarHBondContact O-CB 3.4Å; L99-F102 PolarHBondContact O-N 2.85Å; L99-F102 VanDerWaalsContact O-N 3.17Å; K100-F102 VanDerWaalsContact C-N 3.3Å; K100-F102 PolarHBondContact O-N 3.21Å; F102-A106 WeakPolarHBondContact O-CB 3.4Å; F102-A106 PolarHBondContact O-N 2.92Å
103F82.7Confident69.8Low153 Ų153110.7 Ų110.767%0.67162%0.622SS**Hα-helixtrans-75-35.3179.1-72.6-71000113.1L99 K100 A106 A107L99-F103 HydrophobicContact CD2-CE2 4.4Å; L99-F103 WeakPolarHBondContact O-CD2 3.48Å; L99-F103 PolarHBondContact O-N 3.39Å; K100-F103 PolarHBondContact O-N 3.04Å; F103-A106 PolarHBondContact O-N 3.06Å; F103-A107 PolarHBondContact O-N 3.16Å; F103-A107 VanDerWaalsContact O-N 3.12Å
104E84Confident69.1Low113 Ų113113.2 Ų113.253%0.52862%0.623SS.*Hα-helixtrans-69.3-43.8177.5-167165.5-162.900111.2K100 A106 A107 E108K100-E104 WeakPolarHBondContact O-CB 3.28Å; K100-E104 PolarHBondContact O-N 2.86Å; E104-A106 VanDerWaalsContact C-N 3.31Å; E104-A106 PolarHBondContact O-N 2.95Å; E104-A107 PolarHBondContact O-N 2.67Å; E104-A107 VanDerWaalsContact O-N 3.11Å; E104-E108 WeakPolarHBondContact O-CG 3.39Å; E104-E108 PolarHBondContact O-N 2.93Å; E104-E108 VanDerWaalsContact O-N 3.15Å
105A77.7Confident67.9Low57 Ų57119 Ų11947%0.47164%0.639SS.*Hα-helixtrans-60.6-38.7173.900000112.5R101 A107 E108 D109R101-A105 VanDerWaalsContact O-CB 3.24Å; R101-A105 WeakPolarHBondContact O-CB 3.48Å; R101-A105 PolarHBondContact O-N 3.29Å; A105-A107 VanDerWaalsContact C-N 3.31Å; A105-A107 PolarHBondContact O-N 3.19Å; A105-E108 PolarHBondContact O-N 3.34Å; A105-D109 PolarHBondContact O-N 2.87Å
106A70.7Confident66.4Low70 Ų70123.9 Ų123.958%0.57966%0.655SS**Hα-helixtrans-70.9-23.5176.600000113.7F102 F103 E104F102-A106 WeakPolarHBondContact O-CB 3.4Å; F102-A106 PolarHBondContact O-N 2.92Å; F103-A106 PolarHBondContact O-N 3.06Å; E104-A106 VanDerWaalsContact C-N 3.31Å; E104-A106 PolarHBondContact O-N 2.95Å
107A67Low65.1Low59 Ų59123.4 Ų123.449%0.48866%0.659SS.*Hα-helixtrans-79.2-33.9175.800000112.1F103 E104 A105 A111F103-A107 PolarHBondContact O-N 3.16Å; F103-A107 VanDerWaalsContact O-N 3.12Å; E104-A107 PolarHBondContact O-N 2.67Å; E104-A107 VanDerWaalsContact O-N 3.11Å; A105-A107 VanDerWaalsContact C-N 3.31Å; A105-A107 PolarHBondContact O-N 3.19Å; A107-A111 WeakPolarHBondContact O-CB 3.41Å; A107-A111 PolarHBondContact O-N 3.18Å
108E63.2Low63.4Low140 Ų140126.8 Ų126.865%0.65467%0.671SS**Hα-helixtrans-72.7-38.5179.9-67-68.9135.600112.5E104 A105 G110 A111E104-E108 WeakPolarHBondContact O-CG 3.39Å; E104-E108 PolarHBondContact O-N 2.93Å; E104-E108 VanDerWaalsContact O-N 3.15Å; A105-E108 PolarHBondContact O-N 3.34Å; E108-G110 PolarHBondContact O-N 3.49Å; E108-A111 PolarHBondContact O-N 2.9Å
109D62Low61.8Low160 Ų160128.7 Ų128.786%0.85669%0.69SS**THydrogen-bonded Turntrans-69.1-16.9177.8-89.5-20.6000113.7A105A105-D109 PolarHBondContact O-N 2.87Å
110G55.9Low59.9Low66 Ų66128.4 Ų128.468%0.6871%0.709SS**THydrogen-bonded Turntrans-98.9-7.2176.900000115.2E108E108-G110 PolarHBondContact O-N 3.49Å
111A49.5Very low57.9Low65 Ų65125.7 Ų125.754%0.53772%0.72SS.*  trans-99.69-169.300000114.8A107 E108 L113A107-A111 WeakPolarHBondContact O-CB 3.41Å; A107-A111 PolarHBondContact O-N 3.18Å; E108-A111 PolarHBondContact O-N 2.9Å; A111-L113 PolarHBondContact O-N 3.41Å
112G48.3Very low56Low77 Ų77129 Ų12979%0.79473%0.732SS**THydrogen-bonded Turntrans-71.912.7-177.800000117.4
113L49.6Very low54.4Low161 Ų161128.4 Ų128.484%0.84374%0.736SS**THydrogen-bonded Turntrans-121.61.1-173.2-86.2163.3000116.3A111A111-L113 PolarHBondContact O-N 3.41Å
114Q43.8Very low52.4Low175 Ų175129.8 Ų129.882%0.81874%0.744SS**SBendtrans-14279.6-172.7-75.1-83.264.800113.4
115R39Very low51Low247 Ų247129.6 Ų129.693%0.93275%0.752SS**  trans164.399.3139-98.7177.2166.6166.9-2.9111.3
116Q42.6Very low49.1Very low183 Ų183131 Ų13186%0.85576%0.764SS**  trans-111.2125.8155.2-86.4-84.91600107.2
117P46.1Very low48Very low103 Ų103133.4 Ų133.467%0.66977%0.771SS**  trans-87.1121.8174.732.5-27.5000111
118E39.8Very low47Very low182 Ų182139 Ų13985%0.8579%0.787SS**  trans15.3102143-54.1-68150.900117.4
119T45.9Very low46.2Very low145 Ų145140.5 Ų140.589%0.8980%0.8SS**  trans-153.7127.2139.21.80000109.7
120G41.6Very low45.1Very low86 Ų86135.7 Ų135.789%0.88779%0.788SS**  trans-69.4163.6-162.400000117
121G42.4Very low44.7Very low79 Ų79138.2 Ų138.281%0.81479%0.794SS**  trans165.870.7175.100000114.5
122R42.4Very low44.6Very low229 Ų229141.2 Ų141.286%0.86481%0.808SS**  trans-6.1123.9154.8-155.4-166.7-178.8-154.8-0.5117.2
123L47.6Very low45.1Very low147 Ų147144 Ų14477%0.7781%0.809SS**  154.7119.1119.8-76.5174000112.5
124H42.6Very low45.2Very low182 Ų182144 Ų14484%0.84381%0.809SS**  trans-57.1-180169-115.7-118000113.4
125P53.6Low45.3Very low108 Ų108138.9 Ų138.970%0.70180%0.804SS**  cis-138.5-171-48.335.3-15000113.1
126A36.8Very low45.8Very low88 Ų88136 Ų13673%0.72780%0.801SS**  trans114.3150.6143.700000117.8
127V49.3Very low46.2Very low119 Ų119135 Ų13572%0.72180%0.8SS**  trans98.386.7166-160.80000116.1
128Q46.1Very low46.9Very low177 Ų177135.2 Ų135.283%0.82780%0.802SS**  33.3119120.8-58.7-177.799.200117.5
129D44.7Very low47.9Very low171 Ų171131.9 Ų131.991%0.91480%0.796SS**  -168.5149.4105-126.4-29.7000114.7
130G39.1Very low48.5Very low59 Ų59133.7 Ų133.761%0.60880%0.799SS**  trans6.6132.1171.700000124.2
131C47.5Very low49.7Very low120 Ų120135.5 Ų135.581%0.81179%0.793SS**  -179.3120.6117.5-90.80000111.4V133C131-V133 PolarHBondContact O-N 3.22Å
132P48.7Very low51Low127 Ų127135.5 Ų135.583%0.82579%0.785SS**  trans-88.296.5173.933.8-26.4000109.3L134P132-L134 PolarHBondContact O-N 3.17Å
133V58.2Low52.3Low135 Ų135127.6 Ų127.682%0.81876%0.763SS**  trans-79.4104.4166.9173.80000107.4C131 G135C131-V133 PolarHBondContact O-N 3.22Å; V133-G135 PolarHBondContact O-N 2.75Å
134L52.4Low54.1Low161 Ų161123 Ų12384%0.84374%0.743SS**  trans-49.6109.8167.3-69.5172000108.5P132 Q136P132-L134 PolarHBondContact O-N 3.17Å; L134-Q136 PolarHBondContact O-N 3.45Å
135G45.6Very low56.3Low69 Ų69120.4 Ų120.471%0.71174%0.735SS**  trans-59.7102.5176.200000109.4V133 L137V133-G135 PolarHBondContact O-N 2.75Å; G135-L137 PolarHBondContact O-N 2.89Å
136Q48.3Very low58.2Low186 Ų186120.7 Ų120.787%0.86973%0.73SS**  trans-55.4113.2164.8-69.4-171-0.300107.4L134 P138L134-Q136 PolarHBondContact O-N 3.45Å; Q136-P138 WeakPolarHBondContact O-CD 3.41Å
137L51.1Low60.8Low161 Ų161120.7 Ų120.784%0.84372%0.715SS**PPolyproline II helixtrans-53.7123.7169.2-85.2151.8000107.9G135G135-L137 PolarHBondContact O-N 2.89Å
138P62.4Low62.9Low108 Ų108119.5 Ų119.570%0.70170%0.702SS**PPolyproline II helixtrans-55.5138.6174.5-2231.7000109.4Q136 L140Q136-P138 WeakPolarHBondContact O-CD 3.41Å; P138-L140 PolarHBondContact O-N 3.41Å
139P59.8Low65.1Low112 Ų112116 Ų11673%0.72769%0.685SS**PPolyproline II helixtrans-57.3141-179.225-32.7000109.3V141P139-V141 VanDerWaalsContact C-N 3.29Å; P139-V141 WeakPolarHBondContact O-CG2 3.3Å; P139-V141 PolarHBondContact O-N 3.39Å
140L58Low67.5Low184 Ų184110.8 Ų110.896%0.96366%0.66SS**  trans-57.691.7175.1-72.6164.9000109.2P138 A142P138-L140 PolarHBondContact O-N 3.41Å; L140-A142 PolarHBondContact O-N 3.01Å
141V66.8Low70.2Confident124 Ų124115.4 Ų115.475%0.75266%0.659SS**PPolyproline II helixtrans-66.6120.3175.8-174.90000106.7P139P139-V141 VanDerWaalsContact C-N 3.29Å; P139-V141 WeakPolarHBondContact O-CG2 3.3Å; P139-V141 PolarHBondContact O-N 3.39Å
142A70Confident72.4Confident79 Ų79117.3 Ų117.365%0.65365%0.649SS**PPolyproline II helixtrans-53133.5171.200000108.5L140 S144L140-A142 PolarHBondContact O-N 3.01Å; A142-S144 PolarHBondContact O-N 3.11Å; A142-S144 VanDerWaalsContact O-N 3.17Å
143P70.7Confident74.7Confident62 Ų62115.8 Ų115.840%0.40364%0.637SS.*PPolyproline II helixtrans-57.8128.7-174.123.4-32.5000109E147P143-E147 VanDerWaalsContact CA-OE2 3.3Å; P143-E147 WeakPolarHBondContact CA-OE2 3.46Å; P143-E147 HydrophobicContact CB-CB 4.01Å; P143-E147 WeakPolarHBondContact CB-OE2 3.39Å
144S84.2Confident76.4Confident50 Ų50116.9 Ų116.935%0.3563%0.627SS.*PPolyproline II helixtrans-56.3154.4176.963.40000110.5A142 L146 E147 Q148A142-S144 PolarHBondContact O-N 3.11Å; A142-S144 VanDerWaalsContact O-N 3.17Å; S144-L146 PolarHBondContact O-N 3.43Å; S144-L146 VanDerWaalsContact O-N 3.11Å; S144-E147 PolarHBondContact N-OE1 3.08Å; S144-E147 WeakPolarHBondContact O-CA 3.48Å; S144-E147 WeakPolarHBondContact O-CB 3.3Å; S144-E147 PolarHBondContact O-N 3.05Å; S144-E147 WeakPolarHBondContact OG-CG 3.47Å; S144-E147 PolarHBondContact OG-N 2.93Å; S144-E147 PolarHBondContact OG-OE1 3.45Å; S144-Q148 PolarHBondContact O-N 3.06Å
145L90Very high78.5Confident129 Ų129115.8 Ų115.868%0.67562%0.617SS**Hα-helixtrans-49.3-40.7176.4-174.6102000111.5Q148 E149L145-Q148 WeakPolarHBondContact O-CB 3.44Å; L145-Q148 PolarHBondContact O-N 3.3Å; L145-E149 PolarHBondContact O-N 3.34Å
146L92.2Very high80.9Confident114 Ų114120.9 Ų120.960%0.59762%0.615SS**Hα-helixtrans-61.2-44.9175.718063.7000112.3S144 Q148 E149 V150S144-L146 PolarHBondContact O-N 3.43Å; S144-L146 VanDerWaalsContact O-N 3.11Å; L146-Q148 VanDerWaalsContact C-N 3.26Å; L146-Q148 PolarHBondContact O-N 2.97Å; L146-E149 PolarHBondContact O-N 3.43Å; L146-V150 HydrophobicContact CD1-CG2 4.36Å; L146-V150 HydrophobicContact CG-CG2 4.45Å; L146-V150 VanDerWaalsContact O-CG2 3.28Å; L146-V150 WeakPolarHBondContact O-CG2 3.31Å; L146-V150 PolarHBondContact O-N 3.49Å
147E90.9Very high83Confident87 Ų87117.2 Ų117.241%0.40760%0.598SS.*Hα-helixtrans-62.3-36.4176-75.7162.3-127.200112.1P143 S144 V150 R151P143-E147 VanDerWaalsContact CA-OE2 3.3Å; P143-E147 WeakPolarHBondContact CA-OE2 3.46Å; P143-E147 HydrophobicContact CB-CB 4.01Å; P143-E147 WeakPolarHBondContact CB-OE2 3.39Å; S144-E147 PolarHBondContact N-OE1 3.08Å; S144-E147 WeakPolarHBondContact O-CA 3.48Å; S144-E147 WeakPolarHBondContact O-CB 3.3Å; S144-E147 PolarHBondContact O-N 3.05Å; S144-E147 WeakPolarHBondContact OG-CG 3.47Å; S144-E147 PolarHBondContact OG-N 2.93Å; S144-E147 PolarHBondContact OG-OE1 3.45Å; E147-V150 PolarHBondContact O-N 3.29Å; E147-R151 WeakPolarHBondContact O-CB 3.45Å; E147-R151 VanDerWaalsContact O-CG 3.3Å; E147-R151 WeakPolarHBondContact O-CG 3.32Å; E147-R151 PolarHBondContact O-N 3.32Å
148Q93.3Very high85.1Confident95 Ų95117.8 Ų117.844%0.44459%0.589SS.*Hα-helixtrans-65.5-41.2175.5-167.3177.474.800111.5S144 L145 L146 R151 R152S144-Q148 PolarHBondContact O-N 3.06Å; L145-Q148 WeakPolarHBondContact O-CB 3.44Å; L145-Q148 PolarHBondContact O-N 3.3Å; L146-Q148 VanDerWaalsContact C-N 3.26Å; L146-Q148 PolarHBondContact O-N 2.97Å; Q148-R151 PolarHBondContact O-N 2.88Å; Q148-R152 PolarHBondContact O-N 3.27Å
149E93.9Very high86.5Confident103 Ų103118.1 Ų118.148%0.48158%0.581SS.*Hα-helixtrans-65.1-46.4174.2-73.6-178.8178.600112.1L145 L146 R151 R152 V153L145-E149 PolarHBondContact O-N 3.34Å; L146-E149 PolarHBondContact O-N 3.43Å; E149-R151 PolarHBondContact O-N 2.87Å; E149-R152 PolarHBondContact O-N 3.24Å; E149-R152 VanDerWaalsContact O-N 3.11Å; E149-V153 WeakPolarHBondContact O-CG2 3.28Å; E149-V153 PolarHBondContact O-N 3.14Å
150V95.3Very high88Confident61 Ų61116.8 Ų116.837%0.3757%0.567SS.*Hα-helixtrans-58.2-39.5177170.30000110.7L146 E147 R154L146-V150 HydrophobicContact CD1-CG2 4.36Å; L146-V150 HydrophobicContact CG-CG2 4.45Å; L146-V150 VanDerWaalsContact O-CG2 3.28Å; L146-V150 WeakPolarHBondContact O-CG2 3.31Å; L146-V150 PolarHBondContact O-N 3.49Å; E147-V150 PolarHBondContact O-N 3.29Å; V150-R154 VanDerWaalsContact O-CG 3.31Å; V150-R154 WeakPolarHBondContact O-CG 3.44Å; V150-R154 PolarHBondContact O-N 3.37Å; V150-R154 VanDerWaalsContact O-N 3.08Å
151R94.5Very high89.4Confident157 Ų157112.3 Ų112.359%0.59254%0.541SS*.Hα-helixtrans-63.6-47.8174.1-75.7177.4-173.7-171.34.5112.2E147 Q148 E149 V153 R154 E155E147-R151 WeakPolarHBondContact O-CB 3.45Å; E147-R151 VanDerWaalsContact O-CG 3.3Å; E147-R151 WeakPolarHBondContact O-CG 3.32Å; E147-R151 PolarHBondContact O-N 3.32Å; Q148-R151 PolarHBondContact O-N 2.88Å; E149-R151 PolarHBondContact O-N 2.87Å; R151-V153 VanDerWaalsContact C-N 3.33Å; R151-V153 PolarHBondContact O-N 3.38Å; R151-R154 PolarHBondContact O-N 2.97Å; R151-E155 PolarHBondContact O-N 3.23Å
152R94.8Very high90.4Very high159 Ų159112 Ų11260%0.654%0.535SS*.Hα-helixtrans-59.6-41.8177-79.6-173.4-1651618.9112.4Q148 E149 R154 E155 R156Q148-R152 PolarHBondContact O-N 3.27Å; E149-R152 PolarHBondContact O-N 3.24Å; E149-R152 VanDerWaalsContact O-N 3.11Å; R152-R154 VanDerWaalsContact C-N 3.35Å; R152-E155 PolarHBondContact O-N 3.35Å; R152-R156 WeakPolarHBondContact O-CB 3.42Å; R152-R156 PolarHBondContact O-N 2.99Å
153V95.4Very high91.4Very high96 Ų96112.9 Ų112.958%0.58253%0.525SS*.Hα-helixtrans-62.6-44.4178.1171.40000110.5E149 R151 R156 E157E149-V153 WeakPolarHBondContact O-CG2 3.28Å; E149-V153 PolarHBondContact O-N 3.14Å; R151-V153 VanDerWaalsContact C-N 3.33Å; R151-V153 PolarHBondContact O-N 3.38Å; V153-R156 PolarHBondContact O-N 3.48Å; V153-E157 WeakPolarHBondContact O-CB 3.45Å; V153-E157 PolarHBondContact O-N 3.06Å
154R95.5Very high92.2Very high158 Ų158116 Ų11660%0.59653%0.529SS*.Hα-helixtrans-64.5-39177.5-73.6175.8178-1741.2112.9V150 R151 R152 E157 R158V150-R154 VanDerWaalsContact O-CG 3.31Å; V150-R154 WeakPolarHBondContact O-CG 3.44Å; V150-R154 PolarHBondContact O-N 3.37Å; V150-R154 VanDerWaalsContact O-N 3.08Å; R151-R154 PolarHBondContact O-N 2.97Å; R152-R154 VanDerWaalsContact C-N 3.35Å; R154-E157 PolarHBondContact O-N 3.35Å; R154-R158 VanDerWaalsContact O-CG 3.29Å; R154-R158 WeakPolarHBondContact O-CG 3.29Å; R154-R158 PolarHBondContact O-N 2.97Å
155E95.4Very high92Very high137 Ų137120.6 Ų120.664%0.6454%0.539SS*.Hα-helixtrans-62.2-48.3173.8-88.9-175.614900111.7R151 R152 E157 R158 E159R151-E155 PolarHBondContact O-N 3.23Å; R152-E155 PolarHBondContact O-N 3.35Å; E155-E157 VanDerWaalsContact C-N 3.29Å; E155-E157 PolarHBondContact O-N 2.99Å; E155-R158 WeakPolarHBondContact O-CB 3.2Å; E155-R158 PolarHBondContact O-N 3.24Å; E155-R158 VanDerWaalsContact O-N 3.14Å; E155-E159 PolarHBondContact O-N 2.9Å
156R96.4Very high91.7Very high177 Ų177119.6 Ų119.667%0.66854%0.543SS*.Hα-helixtrans-61.7-38.6178.3-170.7175.9-174.9-169.41.2112.2R152 V153 E159 L160R152-R156 WeakPolarHBondContact O-CB 3.42Å; R152-R156 PolarHBondContact O-N 2.99Å; V153-R156 PolarHBondContact O-N 3.48Å; R156-E159 PolarHBondContact O-N 3.4Å; R156-L160 WeakPolarHBondContact O-CG 3.46Å; R156-L160 PolarHBondContact O-N 2.99Å
157E93.3Very high91.2Very high108 Ų108119.9 Ų119.951%0.50554%0.544SS..Hα-helixtrans-63.4-42175-175.1176.9-155.800111.7V153 R154 E155 L160 Q161V153-E157 WeakPolarHBondContact O-CB 3.45Å; V153-E157 PolarHBondContact O-N 3.06Å; R154-E157 PolarHBondContact O-N 3.35Å; E155-E157 VanDerWaalsContact C-N 3.29Å; E155-E157 PolarHBondContact O-N 2.99Å; E157-L160 PolarHBondContact O-N 2.75Å; E157-Q161 WeakPolarHBondContact O-CB 3.45Å; E157-Q161 VanDerWaalsContact O-CG 3.3Å; E157-Q161 WeakPolarHBondContact O-CG 3.31Å; E157-Q161 PolarHBondContact O-N 3.44Å
158R93.2Very high90.6Very high174 Ų174123.9 Ų123.966%0.65756%0.556SS**Hα-helixtrans-62.5-42.2175.2-71.7170.8-177.9-143.3-0.8112.1R154 E155 Q161 L162R154-R158 VanDerWaalsContact O-CG 3.29Å; R154-R158 WeakPolarHBondContact O-CG 3.29Å; R154-R158 PolarHBondContact O-N 2.97Å; E155-R158 WeakPolarHBondContact O-CB 3.2Å; E155-R158 PolarHBondContact O-N 3.24Å; E155-R158 VanDerWaalsContact O-N 3.14Å; R158-Q161 WeakPolarHBondContact O-CB 3.5Å; R158-Q161 PolarHBondContact O-N 3.43Å; R158-L162 WeakPolarHBondContact O-CG 3.25Å; R158-L162 PolarHBondContact O-N 3.39Å
159E92.2Very high89.4Confident114 Ų114121.2 Ų121.253%0.53355%0.554SS.*Hα-helixtrans-61.2-46175.5-170.9-175173.900111.4E155 R156 Q161 L162 Q163E155-E159 PolarHBondContact O-N 2.9Å; R156-E159 PolarHBondContact O-N 3.4Å; E159-Q161 VanDerWaalsContact C-N 3.31Å; E159-Q161 PolarHBondContact O-N 3.4Å; E159-L162 WeakPolarHBondContact O-CB 3.44Å; E159-L162 PolarHBondContact O-N 2.76Å; E159-Q163 WeakPolarHBondContact O-CG 3.16Å; E159-Q163 PolarHBondContact O-N 2.75Å
160L92.1Very high88.2Confident84 Ų84122 Ų12244%0.4456%0.562SS.*Hα-helixtrans-62-38.5174.4-77.2168.6000112.1R156 E157 L162 Q163 R164R156-L160 WeakPolarHBondContact O-CG 3.46Å; R156-L160 PolarHBondContact O-N 2.99Å; E157-L160 PolarHBondContact O-N 2.75Å; L160-L162 VanDerWaalsContact C-N 3.34Å; L160-Q163 PolarHBondContact O-N 3.4Å; L160-R164 VanDerWaalsContact O-CB 3.31Å; L160-R164 WeakPolarHBondContact O-CB 3.2Å; L160-R164 WeakPolarHBondContact O-CG 3.31Å; L160-R164 PolarHBondContact O-N 2.87Å
161Q87.5Confident86.4Confident91 Ų91121.3 Ų121.343%0.42556%0.563SS.*Hα-helixtrans-61.9-42.3174.5-75.5176.2800111.2E157 R158 E159 R164 R165E157-Q161 WeakPolarHBondContact O-CB 3.45Å; E157-Q161 VanDerWaalsContact O-CG 3.3Å; E157-Q161 WeakPolarHBondContact O-CG 3.31Å; E157-Q161 PolarHBondContact O-N 3.44Å; R158-Q161 WeakPolarHBondContact O-CB 3.5Å; R158-Q161 PolarHBondContact O-N 3.43Å; E159-Q161 VanDerWaalsContact C-N 3.31Å; E159-Q161 PolarHBondContact O-N 3.4Å; Q161-R164 PolarHBondContact O-N 3.41Å; Q161-R165 WeakPolarHBondContact O-CB 3.44Å; Q161-R165 VanDerWaalsContact O-CG 3.28Å; Q161-R165 WeakPolarHBondContact O-CG 3.3Å; Q161-R165 PolarHBondContact O-N 3.08Å
162L88.4Confident84.8Confident117 Ų117122.3 Ų122.361%0.61357%0.574SS**Hα-helixtrans-62.4-46.9175.4-70.7169.1000112R158 E159 L160 R164 R165 S166R158-L162 WeakPolarHBondContact O-CG 3.25Å; R158-L162 PolarHBondContact O-N 3.39Å; E159-L162 WeakPolarHBondContact O-CB 3.44Å; E159-L162 PolarHBondContact O-N 2.76Å; L160-L162 VanDerWaalsContact C-N 3.34Å; L162-R164 VanDerWaalsContact C-N 3.31Å; L162-R164 PolarHBondContact O-N 3.34Å; L162-R165 PolarHBondContact O-N 3.2Å; L162-S166 PolarHBondContact O-N 3.23Å
163Q89.9Confident83Confident98 Ų98119 Ų11946%0.45857%0.571SS.*Hα-helixtrans-59.9-42.4175.8-68.8177.6-0.600111.5E159 L160 S166 I167E159-Q163 WeakPolarHBondContact O-CG 3.16Å; E159-Q163 PolarHBondContact O-N 2.75Å; L160-Q163 PolarHBondContact O-N 3.4Å; Q163-S166 WeakPolarHBondContact O-CB 3.41Å; Q163-S166 PolarHBondContact O-N 3.09Å; Q163-I167 WeakPolarHBondContact O-CG1 3.46Å; Q163-I167 PolarHBondContact O-N 3.19Å; Q163-I167 VanDerWaalsContact O-N 3.15Å
164R87.1Confident80.9Confident128 Ų128122.4 Ų122.448%0.48358%0.581SS.*Hα-helixtrans-66.1-40.6177.5-75.3174.267.6-158.6-0.5112.4L160 Q161 L162 S166 I167 Y168L160-R164 VanDerWaalsContact O-CB 3.31Å; L160-R164 WeakPolarHBondContact O-CB 3.2Å; L160-R164 WeakPolarHBondContact O-CG 3.31Å; L160-R164 PolarHBondContact O-N 2.87Å; Q161-R164 PolarHBondContact O-N 3.41Å; L162-R164 VanDerWaalsContact C-N 3.31Å; L162-R164 PolarHBondContact O-N 3.34Å; R164-S166 VanDerWaalsContact C-N 3.27Å; R164-S166 PolarHBondContact O-N 2.84Å; R164-I167 PolarHBondContact O-N 3.42Å; R164-Y168 HydrophobicContact CB-CD2 4.42Å; R164-Y168 PolarHBondContact O-N 2.98Å
165R81.3Confident78.8Confident146 Ų146123.1 Ų123.155%0.55159%0.591SS**Hα-helixtrans-61.1-38.2174.7-73.7173.693.2171.58.1110.9Q161 L162 I167 G169 D170Q161-R165 WeakPolarHBondContact O-CB 3.44Å; Q161-R165 VanDerWaalsContact O-CG 3.28Å; Q161-R165 WeakPolarHBondContact O-CG 3.3Å; Q161-R165 PolarHBondContact O-N 3.08Å; L162-R165 PolarHBondContact O-N 3.2Å; R165-I167 PolarHBondContact O-N 3.32Å; R165-G169 CarbonylContact O-C 3.6Å; R165-G169 WeakPolarHBondContact O-CA 3.28Å; R165-G169 PolarHBondContact O-N 3.18Å; R165-D170 IonicContact CZ-OD1 2.78Å; R165-D170 IonicContact NE-OD1 3.07Å; R165-D170 PolarHBondContact NE-OD1 3.42Å; R165-D170 IonicContact NH2-OD1 3.61Å; R165-D170 PolarHBondContact NH2-OD1 2.91Å
166S82.7Confident76.7Confident108 Ų108119.6 Ų119.676%0.75558%0.58SS**Hα-helixtrans-65.5-35.3174.9-175.60000113.8L162 Q163 R164L162-S166 PolarHBondContact O-N 3.23Å; Q163-S166 WeakPolarHBondContact O-CB 3.41Å; Q163-S166 PolarHBondContact O-N 3.09Å; R164-S166 VanDerWaalsContact C-N 3.27Å; R164-S166 PolarHBondContact O-N 2.84Å
167I82Confident74.6Confident120 Ų120114.9 Ų114.962%0.61558%0.579SS**Hα-helixtrans-87.7-42.7-175.5-64.3168000112Q163 R164 R165Q163-I167 WeakPolarHBondContact O-CG1 3.46Å; Q163-I167 PolarHBondContact O-N 3.19Å; Q163-I167 VanDerWaalsContact O-N 3.15Å; R164-I167 PolarHBondContact O-N 3.42Å; R165-I167 PolarHBondContact O-N 3.32Å
168Y77.5Confident72.7Confident170 Ų170114.9 Ų114.967%0.66759%0.588SS**Hα-helixtrans-109.2-2.3-170.5-59.1-69.1000114R164R164-Y168 HydrophobicContact CB-CD2 4.42Å; R164-Y168 PolarHBondContact O-N 2.98Å
169G69.1Low70.7Confident40 Ų40111.3 Ų111.341%0.41259%0.59SS.*  trans76.3172.6-176.300000113.9R165 A171R165-G169 CarbonylContact O-C 3.6Å; R165-G169 WeakPolarHBondContact O-CA 3.28Å; R165-G169 PolarHBondContact O-N 3.18Å; G169-A171 PolarHBondContact O-N 2.96Å
170D68Low68.9Low118 Ų118112.4 Ų112.463%0.63160%0.599SS**SBendtrans-7140.5177-74.7-42.2000113.4R165 E172R165-D170 IonicContact CZ-OD1 2.78Å; R165-D170 IonicContact NE-OD1 3.07Å; R165-D170 PolarHBondContact NE-OD1 3.42Å; R165-D170 IonicContact NH2-OD1 3.61Å; R165-D170 PolarHBondContact NH2-OD1 2.91Å; D170-E172 PolarHBondContact O-N 3.39Å
171A58.8Low67Low48 Ų48112.7 Ų112.740%0.39760%0.604SS.*  trans-65.3110.7164.500000106.3G169 V173G169-A171 PolarHBondContact O-N 2.96Å; A171-V173 PolarHBondContact O-N 2.72Å
172E60.5Low65.4Low177 Ų177114.4 Ų114.483%0.82762%0.623SS**  trans-49.395.8159.2-77.7-175.5166.200106.2D170 Q174D170-E172 PolarHBondContact O-N 3.39Å; E172-Q174 PolarHBondContact O-N 3.15Å
173V57.1Low63.6Low90 Ų90111.9 Ų111.955%0.54562%0.616SS.*  trans-72.578.4168.2-179.40000103A171 E175A171-V173 PolarHBondContact O-N 2.72Å; V173-E175 PolarHBondContact O-N 3.06Å
174Q51.8Low61.8Low167 Ų167118.7 Ų118.778%0.7864%0.637SS**  trans-50.6108.1146.7-81-154.975.100103.6E172 P176E172-Q174 PolarHBondContact O-N 3.15Å; Q174-P176 WeakPolarHBondContact O-CD 3.49Å
175E50.2Low60.5Low174 Ų174116.4 Ų116.481%0.81365%0.653SS**  trans-46110.7175.4-135.4-170.6178.600105.1V173 A177V173-E175 PolarHBondContact O-N 3.06Å; E175-A177 PolarHBondContact O-N 3.28Å
176P52.4Low59.6Low62 Ų62116 Ų11640%0.40366%0.662SS.*  trans-71.696.3-178.524.6-23.9000103.2Q174 P178 P195Q174-P176 WeakPolarHBondContact O-CD 3.49Å; P176-P178 VanDerWaalsContact O-N 3.1Å; P176-P195 HydrophobicContact CB-CB 3.88Å; P176-P195 HydrophobicContact CB-CG 4.06Å; P176-P195 HydrophobicContact CG-CB 3.71Å; P176-P195 HydrophobicContact CG-CG 3.35Å
177A51.3Low58.6Low79 Ų79114.6 Ų114.665%0.65366%0.664SS**  trans-44125.1171.800000105.4E175 S179E175-A177 PolarHBondContact O-N 3.28Å; A177-S179 VanDerWaalsContact C-N 3.34Å; A177-S179 PolarHBondContact O-N 3.04Å
178P54.3Low57.6Low107 Ų107116.8 Ų116.870%0.69567%0.67SS**  trans-54.1109.4-178.922-31.2000105.5P176 L180P176-P178 VanDerWaalsContact O-N 3.1Å; P178-L180 PolarHBondContact O-N 3.44Å
179S50.8Low56.8Low100 Ų100115.5 Ų115.570%0.69967%0.674SS**  trans-68.995.7176.544.30000104.3A177 T181A177-S179 VanDerWaalsContact C-N 3.34Å; A177-S179 PolarHBondContact O-N 3.04Å; S179-T181 PolarHBondContact O-N 3.28Å
180L54.3Low56.4Low136 Ų136116.9 Ų116.971%0.71268%0.677SS**  trans-66.176.2166.3-63.3176.9000105.6P178 P182 L189P178-L180 PolarHBondContact O-N 3.44Å; L180-P182 WeakPolarHBondContact O-CD 3.18Å; L180-L189 HydrophobicContact CD2-CD2 4.37Å
181T52.2Low56.4Low90 Ų90117.2 Ų117.255%0.55268%0.683SS**  trans-69122.1164.5470000105.6S179 S183S179-T181 PolarHBondContact O-N 3.28Å; T181-S183 PolarHBondContact O-N 2.86Å
182P52.9Low56.7Low128 Ų128120 Ų12083%0.83169%0.69SS**  trans-62.5106.2172.624.2-30.3000107.3L180 R184L180-P182 WeakPolarHBondContact O-CD 3.18Å; P182-R184 PolarHBondContact O-N 2.86Å
183S51.4Low56.7Low64 Ų64121.2 Ų121.245%0.44869%0.687SS.*  trans-62.9125.8172.1-176.60000107.9T181 G185T181-S183 PolarHBondContact O-N 2.86Å; S183-G185 PolarHBondContact O-N 3.21Å; S183-G185 VanDerWaalsContact O-N 3.16Å
184R52.9Low56.9Low241 Ų241121.5 Ų121.591%0.90969%0.691SS**SBendtrans-48.4122.1171.7-81.7-178.8169.3-166.4-2.9109.4P182 D186P182-R184 PolarHBondContact O-N 2.86Å; R184-D186 PolarHBondContact O-N 3.5Å
185G58.4Low57.5Low79 Ų79115.8 Ų115.881%0.81467%0.668SS**SBendtrans83.1-36.4152.200000119.7S183S183-G185 PolarHBondContact O-N 3.21Å; S183-G185 VanDerWaalsContact O-N 3.16Å
186D62.9Low58.1Low137 Ų137118 Ų11873%0.73367%0.669SS**SBendtrans-100.21.3-159.1-76-6000116.8R184 K188R184-D186 PolarHBondContact O-N 3.5Å; D186-K188 PolarHBondContact O-N 2.86Å
187G62.4Low58.4Low79 Ų79124.7 Ų124.781%0.81469%0.686SS**  trans61.79.4179.900000115
188K60.9Low58.6Low167 Ų167132.4 Ų132.473%0.72670%0.698SS**  trans-96.1121.5172.6-81177.9177.3172.60109.8D186 S190D186-K188 PolarHBondContact O-N 2.86Å; K188-S190 PolarHBondContact O-N 2.69Å
189L61Low58.2Low143 Ų143132.1 Ų132.175%0.74971%0.705SS**  trans-72.7105.8164.9-67.7169.9000108L180 V191L180-L189 HydrophobicContact CD2-CD2 4.37Å; L189-V191 PolarHBondContact O-N 2.7Å
190S61.1Low58.3Low69 Ų69132.6 Ų132.648%0.48371%0.708SS.*  trans-80.4101.6170.2580000109.1K188 I192K188-S190 PolarHBondContact O-N 2.69Å; S190-I192 PolarHBondContact O-N 3.01Å
191V66.6Low57.9Low125 Ų125134.9 Ų134.976%0.75872%0.715SS**  trans-81.8110.1168.1-178.80000107.4L189L189-V191 PolarHBondContact O-N 2.7Å
192I66Low57.5Low106 Ų106140.1 Ų140.154%0.54473%0.73SS.*  trans-94.9114.4175.5-58.6173.6000107.9S190S190-I192 PolarHBondContact O-N 3.01Å
193W61Low57.3Low203 Ų203141 Ų14177%0.76972%0.723SS**SBendtrans-125.8127.8173.4-167.4-103.1000109.7P195W193-P195 HydrophobicContact CE3-CG 3.77Å; W193-P195 HydrophobicContact CH2-CG 4.02Å; W193-P195 HydrophobicContact CZ3-CG 3.39Å
194P59.8Low57Low96 Ų96149.4 Ų149.462%0.62375%0.745SS**SBendcis-81.21598.233.1-33.1000113.2R196P194-R196 PolarHBondContact O-N 2.78Å
195P65.3Low56.8Low46 Ų46147.5 Ų147.530%0.29974%0.738SS.*  trans-60.1131.3178-16.530.4000109.6P176 W193 R197P176-P195 HydrophobicContact CB-CB 3.88Å; P176-P195 HydrophobicContact CB-CG 4.06Å; P176-P195 HydrophobicContact CG-CB 3.71Å; P176-P195 HydrophobicContact CG-CG 3.35Å; W193-P195 HydrophobicContact CE3-CG 3.77Å; W193-P195 HydrophobicContact CH2-CG 4.02Å; W193-P195 HydrophobicContact CZ3-CG 3.39Å; P195-R197 PolarHBondContact O-N 3.03Å
196R62.2Low56.9Low221 Ų221153.3 Ų153.383%0.83476%0.761SS**  trans-63.8114176-69.7-175.7177.4-85.7-0108.6P194 R198P194-R196 PolarHBondContact O-N 2.78Å; R196-R198 PolarHBondContact O-N 2.97Å
197R60.2Low56.6Low203 Ų203154.1 Ų154.177%0.76676%0.763SS**  trans-61.8130.2167.1-63.5-175.2-170.4-100.13.8107.4P195 A199P195-R197 PolarHBondContact O-N 3.03Å; R197-A199 PolarHBondContact O-N 2.78Å
198R53.9Low56.3Low241 Ų241158.1 Ų158.191%0.90976%0.76SS**  trans-64.7110.1169.7-62.8-155.8-175.4-101.63.1106.6R196 S200R196-R198 PolarHBondContact O-N 2.97Å; R198-S200 VanDerWaalsContact C-N 3.29Å; R198-S200 PolarHBondContact O-N 2.97Å
199A46.3Very low56Low100 Ų100157.6 Ų157.683%0.82676%0.762SS**  trans-67.696.9166.800000106.3R197 E201R197-A199 PolarHBondContact O-N 2.78Å; A199-E201 VanDerWaalsContact C-N 3.28Å; A199-E201 PolarHBondContact O-N 3Å
200S54Low55.7Low111 Ų111158.4 Ų158.478%0.77676%0.763SS**  trans-62.8100.7159.419.40000106.9R198 K202R198-S200 VanDerWaalsContact C-N 3.29Å; R198-S200 PolarHBondContact O-N 2.97Å; S200-K202 PolarHBondContact O-N 3.01Å
201E45.8Very low55.4Low184 Ų184164 Ų16486%0.8678%0.78SS**  trans-20.396157.5-168.4171.9174.100113.1A199A199-E201 VanDerWaalsContact C-N 3.28Å; A199-E201 PolarHBondContact O-N 3Å
202K43.6Very low54.7Low199 Ų199166.6 Ų166.687%0.86578%0.782SS**  trans-135.464154.5-76.2-168.4178.5-179.10107.4S200 R204S200-K202 PolarHBondContact O-N 3.01Å; K202-R204 PolarHBondContact O-N 2.99Å
203E48.5Very low53.9Low147 Ų147170.9 Ų170.969%0.68780%0.799SS**  trans-72.785.3161.5-161.4-180154.800107R205E203-R205 HydrophobicContact CG-CG 4.35Å; E203-R205 PolarHBondContact O-N 3.25Å; E203-R205 IonicContact OE1-CZ 3.81Å; E203-R205 IonicContact OE1-NE 3.07Å; E203-R205 PolarHBondContact OE1-NE 3.07Å; E203-R205 IonicContact OE1-NH2 2.75Å
204R43.9Very low53.3Low241 Ų241168.5 Ų168.591%0.90980%0.801SS**  trans-69.2105.1154-87.7-171.7174-138.91.1106.1K202K202-R204 PolarHBondContact O-N 2.99Å
205R49Very low52.8Low201 Ų201174.5 Ų174.576%0.75882%0.816SS**  trans-71.5160.7159.3-92.2-172.1-170.3-166.43.5109.7E203E203-R205 HydrophobicContact CG-CG 4.35Å; E203-R205 PolarHBondContact O-N 3.25Å; E203-R205 IonicContact OE1-CZ 3.81Å; E203-R205 IonicContact OE1-NE 3.07Å; E203-R205 PolarHBondContact OE1-NE 3.07Å; E203-R205 IonicContact OE1-NH2 2.75Å
206P60.5Low51.6Low200 Ų200186.2 Ų186.2100%1.29986%0.863SS**  trans-62.30-144.827.6-36.1000115.7

Retrieved 206 of 206 residues in 86.9 ms (Link to these results)