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Isoform Tau-G of Microtubule-associated protein tau AlphaSync

Canonical isoform description: Promotes microtubule assembly and stability, and might be involved in the establishment and maintenance of neuronal polarity1. The C-terminus binds axonal microtubules while the N-terminus binds neural plasma membrane components, suggesting that tau functions as a linker protein between both2,3. Axonal polarity is predetermined by TAU/MAPT localization (in the neuronal cell) in the domain of the cell body defined by the centrosome. The short isoforms allow plasticity of the cytoskeleton whereas the longer isoforms may preferentially play a role in its stabilization.

AlphaFold DB , UniProt , Accession P10636-9 (canonical: P10636), Species HUMAN (Homo sapiens, Human), Gene MAPT, Length 776 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.7Very low49.3Very low204 Ų204136.8 Ų136.8100%1.00569%0.689SS**  097.60-78.6-71.9-80.800107.6E3M1-E3 WeakPolarHBondContact CA-OE2 3.46Å; M1-E3 PolarHBondContact N-OE1 3.14Å; M1-E3 PolarHBondContact N-OE2 3.23Å
2A41.4Very low49.6Very low80 Ų80137.3 Ų137.366%0.66169%0.687SS**  cis-152.3143.7-12.200000106.4
3E51.1Low49.5Very low64 Ų64136.6 Ų136.630%0.29969%0.687SS.*  trans-160.6133.2-130.6-74.6121.7172.900116.3M1 D285 G286M1-E3 WeakPolarHBondContact CA-OE2 3.46Å; M1-E3 PolarHBondContact N-OE1 3.14Å; M1-E3 PolarHBondContact N-OE2 3.23Å; E3-D285 HydrophobicContact CB-CB 4Å; E3-D285 CarbonylContact O-C 3.58Å; E3-D285 WeakPolarHBondContact O-CA 3.24Å; E3-D285 WeakPolarHBondContact O-CB 3.26Å; E3-G286 WeakPolarHBondContact CB-O 3.34Å; E3-G286 WeakPolarHBondContact CG-O 2.8Å; E3-G286 PolarHBondContact O-N 3.02Å; E3-G286 VanDerWaalsContact O-N 3.09Å
4P50.3Low49.4Very low90 Ų90137.9 Ų137.958%0.58469%0.689SS**  trans-132.4155.5170.340.1-28.4000115G286 P287P4-G286 WeakPolarHBondContact O-CA 3.44Å; P4-P287 WeakPolarHBondContact O-CD 3.06Å
5R45.5Very low49Very low142 Ų142135.9 Ų135.954%0.53670%0.703SS.*  cis83147.6-4.3-79.6-155.3-110.6159.8-161.1122.3E283 P284 D285R5-E283 WeakPolarHBondContact CB-OE2 3.18Å; R5-E283 VanDerWaalsContact CD-CD 3.47Å; R5-E283 WeakPolarHBondContact CD-OE1 3.49Å; R5-E283 WeakPolarHBondContact CD-OE2 3.39Å; R5-E283 IonicContact CZ-OE1 3.93Å; R5-E283 IonicContact NE-OE1 2.74Å; R5-E283 IonicContact NH2-OE1 2.72Å; R5-E283 PolarHBondContact NH2-OE1 3.42Å; R5-P284 HydrophobicContact CB-CB 3.62Å; R5-P284 PolarHBondContact NH2-O 2.79Å; R5-D285 VanDerWaalsContact NE-C 3.3Å; R5-D285 VanDerWaalsContact NE-N 3.17Å; R5-D285 PolarHBondContact NE-O 3.11Å; R5-D285 PolarHBondContact NH1-O 2.94Å
6Q54.4Low48.8Very low186 Ų186132.5 Ų132.587%0.86971%0.711SS**  trans-169.7142.6-161.7163.8-173.567.400111.2
7E49Very low48.5Very low107 Ų107130.8 Ų130.850%0.571%0.706SS.*  trans-167.5136.2175.3-158.5-172.6-11200118.1E283 K629E7-E283 HydrophobicContact CB-CG 3.95Å; E7-E283 HydrophobicContact CG-CG 4.31Å; E7-E283 WeakPolarHBondContact OE1-CG 3.28Å; E7-K629 WeakPolarHBondContact OE2-CE 3.37Å; E7-K629 IonicContact OE2-NZ 3.39Å; E7-K629 PolarHBondContact OE2-NZ 3.22Å
8F46.1Very low48.1Very low172 Ų172136 Ų13675%0.75472%0.716SS**  trans-170.2162.5134.677.1-97.7000114.8
9E49.5Very low47.6Very low181 Ų181132.8 Ų132.885%0.84672%0.719SS**  trans-150.7151.7-176.7173.6-179.9-132.700110.8
10V53.9Low47.5Very low133 Ų133135.3 Ų135.381%0.80673%0.731SS**  trans-150166.9165-155.90000110.5
11M59.9Low47.2Very low146 Ų146132.8 Ų132.872%0.71974%0.737SS**  trans-136.9-172-148.3-175.7169.577.900115.2
12E53.3Low47.1Very low143 Ų143128.9 Ų128.967%0.66872%0.72SS**  trans78.6149.1164.9-76.4112.6157.300121
13D47.8Very low47.2Very low128 Ų128134.5 Ų134.568%0.68472%0.724SS**  cis-169173.7-33.1-148.8-32.8000112
14H48.5Very low46.6Very low155 Ų155134.2 Ų134.272%0.71872%0.722SS**  trans91.6114.5147.4-66.5-4.9000123.7
15A43.5Very low46.1Very low108 Ų108132.4 Ų132.489%0.89371%0.707SS**  trans64.3132.2133.700000123
16G46Very low45.6Very low81 Ų81131.8 Ų131.884%0.83571%0.711SS**  trans174.274.9172.700000114.6
17T44.1Very low44.9Very low103 Ų103124.5 Ų124.563%0.63269%0.686SS**  trans-86.7149.3-164.547.30000118
18Y40.3Very low44.2Very low225 Ų225120.8 Ų120.888%0.88268%0.676SS**  trans75.3136.7158.1-42.2-55.6000120.1
19G39.8Very low43.7Very low75 Ų75121.8 Ų121.877%0.77368%0.676SS**  trans159118.4165.200000114.3
20L43.9Very low43.4Very low183 Ų183117.7 Ų117.796%0.95866%0.664SS**  trans-75154.4179.9-70.669.6000112.7
21G41.1Very low42.9Very low83 Ų83118.4 Ų118.486%0.85666%0.66SS**  trans165.1128.2160.300000114.7
22D40.3Very low42.3Very low122 Ų122118.3 Ų118.365%0.65266%0.658SS**  trans-120.3136.5-173.4-155.9-23.2000110.2
23R42.8Very low41.8Very low198 Ų198118.5 Ų118.575%0.74766%0.658SS**  trans71150.2168.6-63.4143.4-145.7-167.613.2119
24K39.2Very low41.6Very low57 Ų57117.9 Ų117.925%0.24866%0.655CS.*  cis8386.428.5-82.4-161.1119.6-1520114.7E673 K675 S676 E677K24-E673 PolarHBondContact N-OE1 3.17Å; K24-K675 HydrophobicContact CB-CD 4.26Å; K24-K675 HydrophobicContact CB-CG 3.52Å; K24-K675 HydrophobicContact CD-CB 4.47Å; K24-K675 HydrophobicContact CD-CD 4.19Å; K24-K675 HydrophobicContact CD-CG 3.7Å; K24-K675 VanDerWaalsContact CE-C 3.41Å; K24-K675 WeakPolarHBondContact CE-O 2.99Å; K24-K675 HydrophobicContact CG-CB 4.41Å; K24-K675 HydrophobicContact CG-CG 3.67Å; K24-K675 WeakPolarHBondContact O-CE 3.41Å; K24-S676 WeakPolarHBondContact CD-O 3.4Å; K24-S676 WeakPolarHBondContact CE-O 3.45Å; K24-S676 WeakPolarHBondContact CG-O 3.5Å; K24-E677 HydrophobicContact CD-CB 3.9Å; K24-E677 IonicContact NZ-OE2 2.71Å; K24-E677 PolarHBondContact NZ-OE2 2.98Å
25D38.9Very low41.4Very low52 Ų52117.5 Ų117.528%0.27865%0.653SS.*  178.2156.3107.2-146.90.6000118.2E673 K675D25-E673 PolarHBondContact N-OE1 3.28Å; D25-E673 WeakPolarHBondContact O-CB 3.45Å; D25-E673 WeakPolarHBondContact O-CG 3.4Å; D25-K675 HydrophobicContact CB-CD 3.87Å; D25-K675 HydrophobicContact CB-CG 3.77Å; D25-K675 VanDerWaalsContact CG-CE 3.42Å; D25-K675 VanDerWaalsContact CG-CG 3.42Å; D25-K675 VanDerWaalsContact CG-NZ 3.27Å; D25-K675 WeakPolarHBondContact OD1-CB 3.44Å; D25-K675 VanDerWaalsContact OD1-CD 3.26Å; D25-K675 WeakPolarHBondContact OD1-CD 3.36Å; D25-K675 WeakPolarHBondContact OD1-CG 3.11Å; D25-K675 VanDerWaalsContact OD2-CD 3.24Å; D25-K675 WeakPolarHBondContact OD2-CD 3.4Å; D25-K675 VanDerWaalsContact OD2-CE 3.28Å; D25-K675 WeakPolarHBondContact OD2-CE 3.09Å; D25-K675 IonicContact OD2-NZ 3.76Å; D25-K675 PolarHBondContact OD2-NZ 2.95Å
26Q35.8Very low41.2Very low130 Ų130121.2 Ų121.261%0.60765%0.653SS**  trans-29.9137.1149-56.4156.8101.100112.2E673Q26-E673 WeakPolarHBondContact CA-O 3.46Å; Q26-E673 VanDerWaalsContact CG-O 3.29Å; Q26-E673 WeakPolarHBondContact CG-O 3.37Å; Q26-E673 PolarHBondContact N-O 3.29Å
27G38.4Very low41.1Very low33 Ų33121.2 Ų121.234%0.3465%0.652SS.*  cis156.1154.517.500000108.9Y29G27-Y29 WeakPolarHBondContact O-CE2 3.41Å; G27-Y29 PolarHBondContact O-OH 3.34Å
28G35.8Very low41.2Very low29 Ų29123 Ų12330%0.29966%0.658SS.*  trans97158.1174.200000115.9Q671G28-Q671 VanDerWaalsContact CA-O 3.32Å; G28-Q671 WeakPolarHBondContact CA-O 3.3Å; G28-Q671 PolarHBondContact N-O 2.66Å
29Y34.7Very low41.5Very low192 Ų192118 Ų11875%0.75365%0.651SS**  trans33.5131.6149.328.6-107.7000120.5G27G27-Y29 WeakPolarHBondContact O-CE2 3.41Å; G27-Y29 PolarHBondContact O-OH 3.34Å
30T43.1Very low41.7Very low96 Ų96121.6 Ų121.659%0.58965%0.653SS**  cis176.5171.8-10.221.80000105.7
31M43.3Very low41.6Very low148 Ų148117.2 Ų117.273%0.72964%0.643SS**  trans80.7119.7165.9-43.2-57.9-9200117.2
32H47.1Very low41.6Very low144 Ų144117.1 Ų117.167%0.66764%0.641SS**  40.4143.6118.6-57-58.9000120.7
33Q42.6Very low41.9Very low147 Ų147118.7 Ų118.769%0.68765%0.649SS**  cis-162.7175.713.7-128.9157.535.800112.5
34D43.5Very low41.9Very low115 Ų115116.4 Ų116.462%0.61564%0.644SS**  trans81.5131.9148.5-67.3-1000124.6
35Q44Very low41.9Very low146 Ų146120.2 Ų120.268%0.68266%0.663SS**  trans66.9111145.5-67.6163.264.900118.2
36E40Very low42Very low187 Ų187123 Ų12387%0.87469%0.687SS**  99.8128.155.2-83.2163.6-130.400111.5
37G43.6Very low42.9Very low80 Ų80122 Ų12283%0.82569%0.691SS**  trans170.435.1-173.800000120.6
38D46.7Very low43Very low141 Ų141127 Ų12775%0.75471%0.709SS**  trans31.2137.9145.3-148.144.8000125.3
39T47.2Very low43.2Very low119 Ų119133.7 Ų133.773%0.7373%0.733SS**  trans55.4162.1152.550.50000123.2
40D42.7Very low43.6Very low152 Ų152130.6 Ų130.681%0.81373%0.734SS**  cis-171.6175-39-174.933.9000110.7
41A43.5Very low44.1Very low91 Ų91130 Ų13075%0.75273%0.732SS**  trans89.5128.7156.500000120.4
42G40.3Very low44.8Very low80 Ų80125.8 Ų125.883%0.82572%0.715SS**  trans165.843172.200000120.7
43L46.8Very low44.7Very low155 Ų155122.2 Ų122.281%0.81270%0.698SS**  trans-50.4162171.3-55.7179.5000114.2
44K42.6Very low45.5Very low150 Ų150120.7 Ų120.765%0.65270%0.695SS**  cis-175.6172.5-5.8-105.2-174.5-179.7-67.30107.5
45E38.9Very low46.1Very low138 Ų138118.5 Ų118.565%0.64570%0.699SS**  cis176.2139.9-27.2171.4174.7-75.500113.6
46S42.5Very low46.4Very low111 Ų111116.5 Ų116.578%0.77670%0.702SS**  trans81.2158.5152.5-72.90000126
47P53Low46.9Very low108 Ų108116.2 Ų116.270%0.70170%0.7SS**  trans-140.4-142.6-159.542.8-19.2000116.6
48L40.7Very low47.1Very low137 Ų137120.5 Ų120.572%0.71770%0.699SS**  trans95.2155.5166-50.7179.9000117.7
49Q40Very low47.6Very low170 Ų170119.3 Ų119.379%0.79470%0.699SS**  cis-164.8-177.2-5.9-116.4163-9.900112.9
50T44Very low47.5Very low127 Ų127116.5 Ų116.578%0.77969%0.693SS**  trans-127.1161.2-165.445.50000120.6
51P53.6Low47.9Very low83 Ų83114.1 Ų114.154%0.53969%0.689SS.*  trans-121.1170.7179.344.2-33.2000118.2
52T56.8Low48.1Very low60 Ų60118 Ų11837%0.36869%0.691SS.*  trans-163.5165.8-150.739.20000122.1Y645 K646 P647T52-Y645 WeakPolarHBondContact CB-O 3.12Å; T52-Y645 WeakPolarHBondContact CG2-O 3.41Å; T52-K646 VanDerWaalsContact C-CG 3.43Å; T52-K646 WeakPolarHBondContact O-CG 3.2Å; T52-K646 PolarHBondContact O-NZ 3.01Å; T52-K646 WeakPolarHBondContact OG1-CG 3.27Å; T52-P647 WeakPolarHBondContact OG1-CD 2.94Å
53E46.6Very low48.5Very low70 Ų70119.5 Ų119.533%0.32769%0.685SS.*  trans54.2163.2170.8112.1162.181.900126.2V644 Y645 K646E53-V644 HydrophobicContact CB-CB 3.84Å; E53-V644 HydrophobicContact CB-CG1 4.27Å; E53-Y645 VanDerWaalsContact CB-N 3.31Å; E53-Y645 WeakPolarHBondContact OE1-CA 3.29Å; E53-K646 HydrophobicContact CB-CB 4.15Å; E53-K646 HydrophobicContact CB-CG 3.81Å; E53-K646 HydrophobicContact CG-CB 3.61Å; E53-K646 HydrophobicContact CG-CD 3.87Å; E53-K646 HydrophobicContact CG-CG 3.49Å; E53-K646 VanDerWaalsContact CG-CG 3.49Å; E53-K646 PolarHBondContact O-NZ 3.05Å; E53-K646 PolarHBondContact OE1-N 3.32Å
54D58.5Low48.7Very low115 Ų115116.7 Ų116.762%0.61568%0.678SS**  cis-150.2160.146.2-43.3-110000120K646D54-K646 VanDerWaalsContact CG-NZ 3.26Å; D54-K646 WeakPolarHBondContact OD1-CE 3.38Å; D54-K646 IonicContact OD1-NZ 2.71Å; D54-K646 PolarHBondContact OD1-NZ 3.4Å; D54-K646 VanDerWaalsContact OD2-CE 3.25Å; D54-K646 WeakPolarHBondContact OD2-CE 3.43Å; D54-K646 IonicContact OD2-NZ 3.68Å; D54-K646 PolarHBondContact OD2-NZ 2.93Å
55G56.2Low48.8Very low68 Ų68116.3 Ų116.370%0.70168%0.683SS**  trans116.5171.7138.100000123.9
56S50.9Low49.2Very low105 Ų105113.3 Ų113.373%0.73468%0.681SS**  trans-145.2-178.7-166.968.90000113.2
57E49.2Very low49.3Very low180 Ų180117.1 Ų117.184%0.84168%0.684SS**  cis-159.5-159.5345.7-154.359.200112.7
58E49.2Very low48.8Very low170 Ų170116.6 Ų116.679%0.79468%0.683SS**  trans-142.5-166.3-173-133.3-140.8115.100110.3
59P57.4Low48.9Very low116 Ų116116.4 Ų116.475%0.75369%0.688SS**  cis-139.5-173.9-0.844.4-25.1000118.3
60G45.1Very low49.4Very low60 Ų60112 Ų11262%0.61967%0.674SS**  trans113.6152.7156.100000117.5
61S51.2Low49.2Very low102 Ų102109.5 Ų109.571%0.71366%0.658SS**  cis-163.8155.91.1-69.80000112
62E47.2Very low48.9Very low172 Ų172105.8 Ų105.880%0.80464%0.635SS**  trans53.1154.6143.2-65.6178.683.500122.1
63T49.1Very low48.7Very low113 Ų113107.8 Ų107.869%0.69364%0.64SS**  cis-162.9170.3-7.722.60000111.5
64S50.3Low48.8Very low95 Ų95110.3 Ų110.366%0.66466%0.656SS**  trans75.3126.3145.8-89.40000124.7
65D45.3Very low48.3Very low143 Ų143110.5 Ų110.577%0.76566%0.661SS**  55.8143.3128.3-66.4-81.7000122.6
66A45.5Very low47.9Very low74 Ų74113.1 Ų113.161%0.61266%0.663SS**  cis-168.7155.5-300000114.8
67K45.1Very low47.6Very low192 Ų192111.3 Ų111.384%0.83566%0.655SS**  trans58.4136.3140.8-71.6174.2-178.8172.70124.6
68S42.9Very low48.1Very low97 Ų97105.6 Ų105.668%0.67863%0.633SS**  trans74.7109.3132.8-750000121.2
69T42.4Very low48.3Very low132 Ų132103.1 Ų103.181%0.8163%0.625SS**  95.6149.173.648.90000116.1
70P50.9Low48.1Very low77 Ų77102.8 Ų102.850%0.562%0.621SS.*  trans-126.2179.1-144.722.23.1000118.6V755P70-V755 HydrophobicContact CB-CG1 4.03Å; P70-V755 HydrophobicContact CB-CG2 4.23Å; P70-V755 HydrophobicContact CG-CG1 4.15Å; P70-V755 HydrophobicContact CG-CG2 3.86Å
71T39.5Very low48.4Very low75 Ų75106.9 Ų106.946%0.4663%0.628SS.*  trans-161.5155.2175.7-68.90000116.4M754 V755 D756 S757T71-M754 WeakPolarHBondContact CA-O 3.22Å; T71-M754 HydrophobicContact CG2-CB 4.25Å; T71-M754 HydrophobicContact CG2-CE 4.26Å; T71-M754 HydrophobicContact CG2-CG 4.44Å; T71-V755 VanDerWaalsContact C-C 3.45Å; T71-V755 CarbonylContact O-C 3.46Å; T71-D756 CarbonylContact O-C 3.17Å; T71-D756 VanDerWaalsContact O-C 3.25Å; T71-D756 WeakPolarHBondContact O-CA 3.25Å; T71-D756 PolarHBondContact O-N 2.78Å; T71-S757 PolarHBondContact O-N 3.39Å
72A48.7Very low48.1Very low6 Ų6109.5 Ų109.55%0.0563%0.629CS.*BIsolated β-bridgetrans-93.9177.4-153.800000123.7V755 D756 S757A72-V755 VanDerWaalsContact CA-O 3.25Å; A72-V755 WeakPolarHBondContact CA-O 3.14Å; A72-V755 VanDerWaalsContact CB-N 3.32Å; A72-V755 VanDerWaalsContact CB-O 3.32Å; A72-V755 WeakPolarHBondContact CB-O 2.87Å; A72-D756 VanDerWaalsContact C-C 3.41Å; A72-D756 CarbonylContact C-O 3.46Å; A72-D756 WeakPolarHBondContact CA-O 3.18Å; A72-S757 WeakPolarHBondContact O-CA 3.08Å; A72-S757 WeakPolarHBondContact O-CB 3.29Å; A72-S757 PolarHBondContact O-OG 2.8Å
73E51.9Low47.8Very low101 Ų101104.5 Ų104.547%0.47262%0.624SS.*  trans115.9125.9166.9-49.1-27.8113.200113.2D756 S757 P758E73-D756 CarbonylContact C-O 3.36Å; E73-D756 PolarHBondContact N-O 3.4Å; E73-S757 CarbonylContact O-C 3.37Å; E73-S757 VanDerWaalsContact O-CA 3.3Å; E73-S757 WeakPolarHBondContact O-CA 3.17Å; E73-P758 WeakPolarHBondContact O-CD 3.29Å; E73-P758 WeakPolarHBondContact O-CG 3.45Å; E73-P758 VanDerWaalsContact O-N 3.14Å
74D47.5Very low47.6Very low123 Ų123102.8 Ų102.866%0.65862%0.622SS**  cis101.115935.4-16737.6000115.3
75V48Very low47.5Very low120 Ų120104.4 Ų104.473%0.72763%0.63SS**  trans83143.6163.4-169.90000118.2
76T48.3Very low47.4Very low122 Ų122100.9 Ų100.975%0.74863%0.627SS**  cis-175.9161.6-36.5-880000108.4
77A45.8Very low47.6Very low67 Ų67106.2 Ų106.255%0.55464%0.636SS**  trans-88163.3179.500000115.4E262A77-E262 HydrophobicContact CB-CG 4.35Å; A77-E262 WeakPolarHBondContact CB-OE2 3.2Å
78P58.5Low47.5Very low60 Ų60105.1 Ų105.139%0.3963%0.634SS.*  trans-12347.1-171.643.2-34.8000121.5P260 E262P78-P260 HydrophobicContact CB-CG 4.45Å; P78-P260 HydrophobicContact CG-CG 4.26Å; P78-E262 HydrophobicContact CG-CB 4.07Å; P78-E262 VanDerWaalsContact N-OE2 3.08Å
79L54.4Low47.2Very low118 Ų118105.2 Ų105.262%0.61864%0.641SS**  trans44.5172153.5-156.257.4000124.5E262L79-E262 PolarHBondContact N-OE2 2.8Å
80V52.7Low47Very low110 Ų110103.6 Ų103.667%0.66764%0.641SS**  trans72.3153.3155.5-93.70000121.3
81D51.7Low46.5Very low146 Ų146104.7 Ų104.778%0.78166%0.656SS**  cis-162.2175.6-12.8-132.8173.1000108.6
82E44.3Very low46.6Very low156 Ų156109.6 Ų109.673%0.72967%0.674SS**  cis-128.9-84.4-9.8-177-115.7111.700111.2A84E82-A84 WeakPolarHBondContact OE1-CB 3.19Å; E82-A84 PolarHBondContact OE1-N 2.78Å
83G41.9Very low46.6Very low67 Ų67113.1 Ų113.169%0.69170%0.696SS**  cis-158.9102.4-7.200000111.1
84A43.9Very low46.1Very low78 Ų78116 Ų11665%0.64571%0.709SS**  trans-94.6-158.6-171.600000113.7E82E82-A84 WeakPolarHBondContact OE1-CB 3.19Å; E82-A84 PolarHBondContact OE1-N 2.78Å
85P48.4Very low45.8Very low129 Ų129115.8 Ų115.884%0.83871%0.713SS**  cis-136.5-179.5-18.641.3-24.8000115.2
86G44.1Very low45.5Very low68 Ų68118 Ų11870%0.70172%0.715SS**  trans144.4101.8138.300000123.5
87K47.8Very low45.5Very low187 Ų187120 Ų12081%0.81372%0.719SS**  trans68.9118.6130.2-65.8-178.9178.8-179.90124.3
88Q42.9Very low46.1Very low169 Ų169121.6 Ų121.679%0.7972%0.724SS**  76.9124.5125.4-65.8178.9-71.300123.4
89A36.7Very low45.9Very low99 Ų99127.9 Ų127.982%0.81875%0.748SS**  trans70.5146.513500000120
90A39Very low45.6Very low98 Ų98125.4 Ų125.481%0.8175%0.751SS**  cis-164.1-165.7-12.300000109.7
91A40.3Very low45.6Very low100 Ų100126.2 Ų126.283%0.82676%0.757SS**  trans83.191.9165.400000120.5
92Q41.4Very low45.5Very low178 Ų178126 Ų12683%0.83276%0.761SS**  trans-28.4174.3133.3-67-87.1-63.900117.3
93P48.2Very low45.9Very low79 Ų79122.4 Ų122.451%0.51376%0.758SS.*  cis-144.4-144.9-3641.3-20.7000113.3
94H42.6Very low46.5Very low162 Ų162127.5 Ų127.575%0.7576%0.764SS**  trans83.7148.6170.6-51.2-65000116.4
95T41.7Very low46.8Very low118 Ų118132 Ų13272%0.72477%0.771SS**  cis-150.6-178.92.1-90000113.2
96E41.9Very low46.8Very low166 Ų166130.2 Ų130.278%0.77677%0.768SS**  trans-65.6173.1-176.4-56.7140.8124.600114.9
97I47.9Very low46.9Very low164 Ų164130 Ų13084%0.84177%0.765SS**  -159.9150.979.1-81.1155.8000111.6
98P58.2Low46.9Very low102 Ų102129.7 Ų129.766%0.66277%0.771SS**  trans-119.9-151.3-175.541.2-24.6000114.6
99E54.4Low47.2Very low191 Ų191125 Ų12589%0.89377%0.768SS**  trans76.7149.3176.7-45.8-171.9157.100115.3
100G48.4Very low47.7Very low66 Ų66127.4 Ų127.468%0.6877%0.767SS**  cis178.8-179.6-3.500000109.2
101T51.9Low48Very low127 Ų127129.1 Ų129.178%0.77977%0.767SS**  cis-175.1159.3-13.7110000110.2
102T50.7Low48.7Very low143 Ų143130.3 Ų130.388%0.87777%0.767SS**  trans66.2159.2164.658.30000118.9
103A52Low48.8Very low80 Ų80126.9 Ų126.966%0.66176%0.762SS**  cis-141.1160.7-1.200000110.3
104E55.2Low49.1Very low174 Ų174130 Ų13081%0.81377%0.774SS**  46.7144.192.7-51.1-61154.300115.4
105E48.9Very low49.5Very low171 Ų171129.7 Ų129.780%0.79977%0.773SS**  cis-155.4160.221.4-158.1-165.2128.700111.8
106A47.8Very low50Low93 Ų93131 Ų13177%0.76978%0.775SS**  trans57148.4157.300000121.1
107G47.1Very low50.5Low62 Ų62130.6 Ų130.664%0.63977%0.773SS**  cis160.5135.6-11.900000114.1
108I48.9Very low50.4Low182 Ų182126.7 Ų126.793%0.93377%0.766SS**  trans60.7126.6154.8-45.5165.4000117.8
109G48.8Very low50Low71 Ų71127 Ų12773%0.73278%0.777SS**  trans156.594160.200000116.3T111G109-T111 PolarHBondContact O-N 3.24Å
110D46.2Very low49.4Very low148 Ų148121.4 Ų121.479%0.79177%0.77SS**  trans-73.4116.5179.9-61.5-89.8000115
111T46.3Very low48.9Very low134 Ų134126.3 Ų126.382%0.82278%0.775SS**  trans60.5158.2140.959.60000121.6G109G109-T111 PolarHBondContact O-N 3.24Å
112P54.4Low48.4Very low125 Ų125125.2 Ų125.281%0.81277%0.768SS**  trans-119.1163.7-158.442-31000116.9
113S43.7Very low47.6Very low106 Ų106123.5 Ų123.574%0.74176%0.758SS**  trans-152.1127.7148.352.30000109
114L53.7Low46.7Very low144 Ų144127.7 Ų127.775%0.75476%0.763SS**  79.8153.170.9-129.9179.7000112
115E52.6Low45.7Very low156 Ų156127.4 Ų127.473%0.72976%0.762SS**  trans57.9142.8173.154.6-131.17700117.2
116D51.6Low45.4Very low146 Ų146123.6 Ų123.678%0.78175%0.753SS**  cis-152.1158.121.2-156.428.3000115.7
117E52.2Low44.9Very low157 Ų157127.5 Ų127.573%0.73476%0.755SS**  trans18.8131157.1-75.4-7198.500126.5
118A45.8Very low44.5Very low82 Ų82129.3 Ų129.368%0.67876%0.758SS**  84.6145.7122.600000124.9
119A49.8Very low43.9Very low110 Ų110123.8 Ų123.891%0.90975%0.746SS**  trans62.7135.7173.700000117.3
120G41.5Very low43.5Very low72 Ų72130.6 Ų130.674%0.74276%0.755SS**  cis170.8-173-4.200000111.6
121H38.7Very low43.1Very low169 Ų169129.7 Ų129.778%0.78276%0.755SS**  trans66.793163.8-163.7-72.7000120.1
122V40.7Very low42.8Very low104 Ų104129 Ų12963%0.6375%0.75SS**  49.9106.3111.6169.30000118.8
123T33.4Very low42.1Very low107 Ų107130 Ų13066%0.65674%0.744SS**  77.6129.3124.8-56.10000122.6
124Q34.6Very low41.8Very low168 Ų168132 Ų13279%0.78574%0.741SS**  trans69.7127.3162.3-73.8159.82.900117
125E33Very low41.2Very low168 Ų168128 Ų12879%0.78574%0.736SS**  cis75.3150.245.4-62.2-81.6125.100113.2
126P43.5Very low40.8Very low92 Ų92129.1 Ų129.160%0.59774%0.738SS**  cis-140.2-154.1-43.438.2-19.1000111.5
127E36.6Very low40.6Very low174 Ų174129.3 Ų129.381%0.81374%0.738SS**  trans70.3155.9149.1-90.5-144.5114.100120.3
128S38.4Very low40.4Very low101 Ų101132 Ų13271%0.70674%0.742SS**  cis-159.9171.5-16.5-145.30000112.6
129G36.9Very low40.2Very low66 Ų66135 Ų13568%0.6874%0.742SS**  trans111144.2158.400000115.8
130K39.6Very low40.4Very low214 Ų214135 Ų13593%0.9373%0.733SS**  cis-137155.312-68.6-173.5177.4-176.30114
131V38.1Very low40.2Very low129 Ų129134.5 Ų134.578%0.78273%0.728SS**  trans-88.9157.1175.1168.90000111.4
132V39.9Very low41Very low120 Ų120132.3 Ų132.373%0.72773%0.728SS**  trans-175.6121.3140.2140.20000107.8
133Q39.2Very low41.4Very low144 Ų144133.3 Ų133.367%0.67374%0.737SS**  73.6150.375.2-105.5170.9-46.900113.6
134E37.3Very low41.9Very low148 Ų148131.5 Ų131.569%0.69274%0.739SS**  cis-158.6163.84-170.9158.5-92.400108.2
135G41.1Very low42.4Very low62 Ų62131.7 Ų131.764%0.63975%0.745SS**  cis161.8-134.5-1.600000110.9
136F45.9Very low42.7Very low178 Ų178127.5 Ų127.578%0.78173%0.734SS**  trans70124.8176.2-72.6-115.5000115.8
137L46.9Very low42.5Very low150 Ų150131.1 Ų131.179%0.78574%0.743SS**  cis-150.3-169.67.9-148.739.1000107.6
138R47.1Very low42.7Very low215 Ų215131.3 Ų131.381%0.81174%0.744SS**  cis-160.1157.819.3157.2179.5169178.6-3.4112.6
139E41.3Very low42.4Very low143 Ų143133.4 Ų133.467%0.66875%0.746SS**  trans-94.6170.8175.9-79.1-69.5107.600116.3
140P53.8Low42.4Very low112 Ų112137.6 Ų137.673%0.72775%0.75SS**  cis-128.3-167.414.346.8-30.9000114.4
141G38.9Very low42.4Very low61 Ų61132.4 Ų132.463%0.62974%0.741SS**  cis-177-172.18.300000116.1
142P54.1Low42.3Very low122 Ų122129.2 Ų129.279%0.79273%0.734SS**  trans-137.5-159.4-154.548.1-31.7000114.6
143P49.4Very low42.7Very low126 Ų126132.3 Ų132.382%0.81874%0.742SS**  cis-135.2177.1-8.642.1-25.7000116.6
144G45.3Very low42.9Very low68 Ų68131.2 Ų131.270%0.70175%0.748SS**  trans17184.1160.800000121.8
145L44.3Very low42.9Very low173 Ų173127.9 Ų127.991%0.90675%0.753SS**  trans55.6150.7145.7-49.9178.4000123.5
146S39.3Very low42.8Very low79 Ų79129.6 Ų129.655%0.55276%0.761SS**  cis-172.1155.9-40.256.50000114.6
147H38.7Very low42.5Very low169 Ų169126.2 Ų126.278%0.78276%0.757SS**  trans55.9127.3156.6-47.8-49.6000121.2
148Q41.6Very low41.9Very low178 Ų178126.9 Ų126.983%0.83276%0.761SS**  cis-149.1173.239.5-74-172.6103.600111.7
149L30.9Very low41.4Very low144 Ų144124.3 Ų124.375%0.75476%0.762SS**  cis101.6134.916.2-138.2164.7000115.5
150M38.3Very low41.5Very low154 Ų154122.1 Ų122.176%0.75976%0.76SS**  trans80.2107.4-178.5-57.8-164.870.900117.2
151S39.3Very low40.5Very low106 Ų106125.8 Ų125.874%0.74177%0.768SS**  79.2134.8101.774.20000116.3
152G35.4Very low40.3Very low62 Ų62126.1 Ų126.164%0.63977%0.772SS**  cis95.597.6-3.600000115.9
153M48.1Very low39.8Very low184 Ų184125.8 Ų125.891%0.90677%0.77SS**  trans-172158.9143.9-94.4-44.995.600111.8
154P44.7Very low39.1Very low121 Ų121130.3 Ų130.379%0.78677%0.77SS**  trans-116.3-178.3-17043.5-34.4000114.6
155G37.1Very low38.5Very low78 Ų78135.2 Ų135.280%0.80478%0.775SS**  trans174.6112.7164.600000116.1
156A37.6Very low38.1Very low98 Ų98131.6 Ų131.681%0.8177%0.77SS**  trans-98.1-172.8156.500000108.3
157P40.7Very low37.6Very low108 Ų108133 Ų13370%0.70178%0.775SS**  cis-135.4-154.4-2.632.9-8.6000113
158L35.1Very low37.4Very low163 Ų163135.5 Ų135.585%0.85378%0.778SS**  trans108.7126.7153.6-57.5175.3000119.2
159L35.5Very low37.1Very low161 Ų161134.9 Ų134.984%0.84378%0.775SS**  trans-65.6168.3152.4-62.6174.6000109.6
160P43.2Very low37.7Very low97 Ų97133.7 Ų133.763%0.6378%0.775SS**  cis-152.3-171.431.445.4-24.1000118.2
161E32.4Very low37.5Very low189 Ų189131.3 Ų131.388%0.88377%0.774SS**  trans64.7164.6151.4-77.1170.2115.600120.5
162G35.2Very low37.4Very low69 Ų69129.7 Ų129.771%0.71177%0.774SS**  trans-102.8-144.5177.200000111.8
163P43.6Very low37.5Very low115 Ų115133.8 Ų133.875%0.74779%0.787SS**  cis-140.7179.77.143.9-25.8000116.1
164R35.8Very low36.9Very low221 Ų221128.4 Ų128.483%0.83478%0.778SS**  trans48122.6139.9-75.3178.9-163.1-171.35.4122.6
165E31.4Very low37.2Very low171 Ų171128.2 Ų128.280%0.79978%0.777SS**  69.785.5113.7-159.8178.8-179.600120.8
166A35.3Very low37.5Very low96 Ų96133.2 Ų133.279%0.79378%0.779SS**  trans-156.1136.7142.900000108.8
167T30.2Very low37.5Very low108 Ų108135.7 Ų135.766%0.66378%0.779SS**  cis105.3109.326.1-70.70000112.2
168R33.1Very low37.7Very low223 Ų223136.7 Ų136.784%0.84278%0.783SS**  trans73.4135166.9-69.2164.6-169.1-87.2-3114.9
169Q36.2Very low37.8Very low165 Ų165138.1 Ų138.177%0.77179%0.786SS**  67.9140.258.6-69.2-98.6-15.100111.7
170P43.2Very low37.7Very low118 Ų118133.9 Ų133.977%0.76678%0.781SS**  cis-135.9-17332.843-26.1000117
171S34.6Very low37.5Very low105 Ų105132.7 Ų132.773%0.73479%0.787SS**  trans-79.2162.3172.4540000115.2
172G36.5Very low37.9Very low71 Ų71134 Ų13473%0.73278%0.783SS**  trans95.5160.5162.800000114.1
173T38.1Very low38.1Very low149 Ų149138.3 Ų138.391%0.91479%0.785SS**  cis-150.2154.30.946.10000109.4
174G35.6Very low37.9Very low70 Ų70136.9 Ų136.972%0.72278%0.782SS**  144.1169.5108.700000113.1
175P51.6Low38.5Very low117 Ų117132 Ų13276%0.7678%0.779SS**  trans-124.8-180-154.136.8-18.5000114.4
176E42.2Very low38.7Very low183 Ų183131.1 Ų131.186%0.85578%0.775SS**  176168.5110.3-88.4-163.9117.600111.8
177D38.2Very low39Very low150 Ų150132.7 Ų132.780%0.80277%0.769SS**  trans-98.8-150.4-165.8-59.8-98.2000113.7
178T44.1Very low39.3Very low130 Ų130132.3 Ų132.380%0.79876%0.763SS**  trans90.6106.3-178.7-29.60000112.5
179E37.7Very low39.3Very low192 Ų192129.1 Ų129.190%0.89776%0.755SS**  64.7129.564.6-163-179171.200112.9
180G34.5Very low39.4Very low72 Ų72129.2 Ų129.274%0.74276%0.755SS**  cis177.8168.2-800000113
181G39Very low39.1Very low73 Ų73132.5 Ų132.575%0.75376%0.76SS**  trans91.7166.9171.500000116.9
182R39.8Very low38.9Very low216 Ų216134.7 Ų134.782%0.81576%0.763SS**  cis-174.6152.1-14.6-121.4-178.1-159.1-124.57.4109
183H38.7Very low38.5Very low160 Ų160139 Ų13974%0.74177%0.769SS**  trans71.7125.9174.8-50.1-69.8000115.9
184A39.1Very low38.1Very low84 Ų84134.7 Ų134.769%0.69475%0.753SS**  cis84.9150.73800000113.1
185P49.6Very low38Very low118 Ų118138.4 Ų138.477%0.76676%0.756SS**  cis-100.9157.317.26.617.5000114.3
186E36.3Very low37Very low153 Ų153139.8 Ų139.872%0.71576%0.757SS**  66.1138.864.2-73.3-140.4111.200114.1
187L40.2Very low36.7Very low129 Ų129138.1 Ų138.168%0.67575%0.749SS**  -153148.354.1-85.7169.8000115.8
188L36.6Very low36.5Very low100 Ų100138 Ų13852%0.52474%0.743SS.*  trans60117.7145.1-55170.8000118.6
189K32.7Very low36.2Very low157 Ų157139.9 Ų139.968%0.68374%0.743SS**  61.8141.281.8-59.6173.4-152.7152.60112.2
190H39.7Very low35.8Very low166 Ų166133.7 Ų133.777%0.76973%0.731SS**  cis-142169.134.4-71-102.4000113.7
191Q36.4Very low36.4Very low187 Ų187136 Ų13687%0.87473%0.733SS**  trans-89.9178167.8-65.9173.2-11.300111.2
192L29.4Very low36.9Very low152 Ų152138 Ų13880%0.79673%0.733SS**  trans100.4112.8142.7-164.1137.1000118.2
193L28.5Very low36.8Very low162 Ų162135.2 Ų135.285%0.84873%0.733SS**  trans46.8135.3138.3-167.871.3000120.9
194G29.3Very low36.6Very low57 Ų57137.6 Ų137.659%0.58874%0.741SS**  trans112.7128.9172.600000110.2
195D33.7Very low36.4Very low148 Ų148136.7 Ų136.779%0.79174%0.74SS**  cis66.7147.844.5-62.4-54.6000114
196L31.7Very low35.7Very low147 Ų147136.3 Ų136.377%0.7775%0.747SS**  trans69.5134.3177.9-85.854.6000115.5
197H35.7Very low35.3Very low148 Ų148133 Ų13369%0.68575%0.754SS**  cis-176.1173.3-11.9-131.8-158000110.4
198Q34.4Very low34.9Very low146 Ų146130 Ų13068%0.68275%0.754SS**  trans66134.6159.3-58.3-78.7106.700117
199E36.5Very low34.7Very low170 Ų170135 Ų13579%0.79477%0.772SS**  cis-139.4175.8-16.1-59.7-154.6138.300106.8
200G30.9Very low35Very low63 Ų63136.5 Ų136.565%0.64978%0.781SS**  cis179.91684.600000110.3
201P47.4Very low34.9Very low120 Ų120140 Ų14078%0.77979%0.787SS**  trans-91.4-175.6-167.1-426.1000113.2
202P47.7Very low35.1Very low116 Ų116137 Ų13775%0.75379%0.785SS**  cis-126.2173.18.143.1-27.9000114.2
203L38.2Very low35.3Very low156 Ų156132.7 Ų132.782%0.81778%0.776SS**  cis71.76927.1-71.5-178.3000117.7
204K34.7Very low35.4Very low211 Ų211130 Ų13092%0.91777%0.771SS**  trans179.8157.4150.5-98.9148.7-175.1179.10109.9
205G34Very low35.5Very low65 Ų65135 Ų13567%0.6778%0.777SS**  cis-110.8171.8-15.200000110.7
206A34.9Very low35.4Very low109 Ų109134.7 Ų134.790%0.90177%0.77SS**  cis58.7127.444.200000112.7
207G29.7Very low35.8Very low84 Ų84136.7 Ų136.787%0.86678%0.776SS**  cis142.6150.1000000112.2
208G30.7Very low36.2Very low66 Ų66134.8 Ų134.868%0.6878%0.775SS**  trans135.7131.2-169.200000108
209K32.4Very low36.6Very low205 Ų205134.5 Ų134.589%0.89178%0.778SS**  56.7107.759.1-57.7179.3179.7-179.40108.5
210E39.5Very low37.1Very low189 Ų189132.6 Ų132.688%0.88377%0.769SS**  -154.4151.963.9-87.2157.6174.900108.5
211R37.8Very low37.7Very low238 Ų238133.7 Ų133.790%0.89876%0.76SS**  cis48.711030.9-148.4-172.3-1731345.9114
212P39.8Very low38Very low126 Ų126137 Ų13782%0.81876%0.757SS**  cis-112.5-173.838.840.2-30.7000113
213G33.4Very low38Very low60 Ų60138.1 Ų138.162%0.61976%0.756SS**  cis-164.1177.821.900000109.2
214S30.3Very low38.6Very low106 Ų106137 Ų13774%0.74176%0.756SS**  51.3122.657.370.80000112.8
215K33.1Very low38.8Very low162 Ų162133.3 Ų133.370%0.70475%0.746SS**  cis-158.1154.39.6-112.7168.5172.7-97.70108
216E31.1Very low39.2Very low141 Ų141137.5 Ų137.566%0.65975%0.748SS**  52.868.584.4-157.3-173.6-175.900112.7V218E216-V218 HydrophobicContact CG-CG2 4.48Å
217E39.9Very low39.7Very low189 Ų189137.1 Ų137.188%0.88374%0.739SS**  trans-113115.9150.2-68-178.7144.600105.2
218V44.8Very low40.5Very low109 Ų109138.1 Ų138.166%0.66173%0.733SS**  cis70.410745.9-171.70000108.4E216E216-V218 HydrophobicContact CG-CG2 4.48Å
219D41.1Very low41.3Very low139 Ų139140.5 Ų140.574%0.74374%0.736SS**  61.7133.489.3-121.67.5000110.8
220E48.6Very low41.6Very low130 Ų130139.3 Ų139.361%0.60773%0.734SS**  cis-140.317828.3-54.6178.512200112.8R222E220-R222 IonicContact OE1-NH2 3.81Å; E220-R222 IonicContact OE2-CZ 2.85Å; E220-R222 VanDerWaalsContact OE2-CZ 3.25Å; E220-R222 IonicContact OE2-NH1 2.73Å; E220-R222 PolarHBondContact OE2-NH1 2.85Å; E220-R222 IonicContact OE2-NH2 2.78Å; E220-R222 PolarHBondContact OE2-NH2 2.78Å
221D42.9Very low41.7Very low87 Ų87137 Ų13747%0.46573%0.728SS.*  trans-59.3149.5154.9-54.1-80.5000111.9R364D221-R364 IonicContact OD1-CZ 3.25Å; D221-R364 IonicContact OD1-NH1 2.71Å; D221-R364 PolarHBondContact OD1-NH1 3.41Å; D221-R364 IonicContact OD1-NH2 2.84Å; D221-R364 PolarHBondContact OD1-NH2 2.87Å; D221-R364 IonicContact OD2-NH1 3.69Å
222R54.1Low41.9Very low189 Ų189130.6 Ų130.671%0.71372%0.719SS**  -166129.1128.8-60.6-151171.763.713.1107.1E220E220-R222 IonicContact OE1-NH2 3.81Å; E220-R222 IonicContact OE2-CZ 2.85Å; E220-R222 VanDerWaalsContact OE2-CZ 3.25Å; E220-R222 IonicContact OE2-NH1 2.73Å; E220-R222 PolarHBondContact OE2-NH1 2.85Å; E220-R222 IonicContact OE2-NH2 2.78Å; E220-R222 PolarHBondContact OE2-NH2 2.78Å
223D47.5Very low42.5Very low139 Ų139130 Ų13074%0.74372%0.716SS**  70113.458.4-71.3-41.8000114.1
224V50.9Low43.3Very low134 Ų134132.2 Ų132.281%0.81272%0.719SS**  trans59.7161.1162.4-106.50000117.4
225D37.9Very low43.8Very low132 Ų132131.7 Ų131.771%0.70672%0.715SS**  cis-154176.2-5.9-150.7168.2000111.7
226E42.4Very low44.1Very low153 Ų153133.4 Ų133.472%0.71572%0.723SS**  trans46132.3140.9-106.2-161.153.300124.9
227S45.6Very low44.5Very low101 Ų101130.6 Ų130.671%0.70672%0.723SS**  107.4142.4121.9-920000123
228S46.4Very low44.5Very low106 Ų106127 Ų12774%0.74172%0.719SS**  trans-94-179-178.9-43.50000112.7
229P48Very low44.8Very low115 Ų115127.6 Ų127.675%0.74773%0.725SS**  -126.1153.691.6121.9000113.3
230Q39.4Very low44.7Very low180 Ų180124.7 Ų124.784%0.84172%0.721SS**  59.714382-55.4-173.6-28.100114.4
231D41.5Very low44.5Very low142 Ų142126.2 Ų126.276%0.75973%0.728SS**  cis-146.4177.526.4-166.113.9000113.7
232S41.5Very low44.4Very low103 Ų103129 Ų12972%0.7274%0.742SS**  trans-99.5-143-177.3-55.40000110.8
233P51.7Low43.7Very low114 Ų114123.6 Ų123.674%0.7475%0.746SS**  cis-135.6-138.3-7.235.5-7.6000114.1
234P51.4Low43.3Very low106 Ų106128 Ų12869%0.68875%0.752SS**  -143.3-172.4-10147-28.2000119.2
235S39.5Very low43Very low94 Ų94126.7 Ų126.766%0.65775%0.746SS**  trans95.5144132.7-84.70000125.3
236K41.2Very low43.4Very low199 Ų199125.1 Ų125.187%0.86574%0.743SS**  trans78.1145.9152.9-69.3153.3-173174.90118.1
237A39.4Very low43.3Very low81 Ų81126.1 Ų126.167%0.66975%0.748SS**  cis-159143.8-5.100000108.7
238S38.9Very low42.9Very low114 Ų114127.1 Ų127.180%0.79775%0.75SS**  67.6152.272.6-40.90000115.4
239P50.7Low42.6Very low122 Ų122127 Ų12779%0.79276%0.755SS**  cis-142.6-151.7-24.639-16.7000114
240A40.3Very low42.3Very low78 Ų78125.7 Ų125.765%0.64575%0.754SS**  trans85.1147.8153.100000119.5
241Q43.9Very low42.4Very low162 Ų162127.8 Ų127.876%0.75775%0.754SS**  cis-163.2155.7-7-118.8173.1-90.400113
242D39.9Very low42.1Very low145 Ų145127.9 Ų127.978%0.77575%0.75SS**  trans52.5153.1151.1-59.8-42.8000122.6
243G39.6Very low42Very low76 Ų76127.1 Ų127.178%0.78475%0.75SS**  cis-171171.62.300000116.3
244R40.5Very low41.4Very low232 Ų232127.5 Ų127.588%0.87575%0.75SS**  trans-87.2-162.2-178-125.6-178.4156.2-150.5-0.7111.1
245P42.6Very low40.6Very low106 Ų106127.4 Ų127.469%0.68875%0.752SS**  cis-136.4-177.1-9.5260.7000117
246P47.3Very low40.9Very low98 Ų98130.8 Ų130.864%0.63676%0.761SS**  trans-116179.8-174.543.2-34.9000116.7
247Q40.4Very low41.2Very low174 Ų174127 Ų12781%0.81376%0.757SS**  trans-174.8161166.4-101.4140.5103.800110.7
248T36.8Very low41.1Very low123 Ų123125.9 Ų125.976%0.75575%0.753SS**  cis-172.1154.6-29.3230000110.8
249A39.9Very low41.4Very low102 Ų102130.5 Ų130.584%0.84376%0.759SS**  trans69.9152.5156.800000120.6
250A41.5Very low41.3Very low88 Ų88129.7 Ų129.773%0.72775%0.754SS**  cis-173160.3-23.800000113.3
251R41.1Very low41.4Very low224 Ų224130.1 Ų130.185%0.84576%0.757SS**  trans73156.7155.2-72.5-174.1147.7136.51121.2
252E36.3Very low41.2Very low145 Ų145126.8 Ų126.868%0.67874%0.742SS**  cis-175135.5-20.8179.6169.8140.400113.1
253A39Very low41.2Very low86 Ų86123 Ų12371%0.71174%0.737SS**  trans57.9165.3152.800000123.8
254T39.1Very low41.1Very low123 Ų123124.2 Ų124.276%0.75574%0.74SS**  cis-174.9156.1-33.6-79.50000110.8
255S34.5Very low41.3Very low103 Ų103120.8 Ų120.872%0.7274%0.737SS**  trans73.1133.3166.859.80000118.3
256I46.7Very low41.4Very low165 Ų165121 Ų12185%0.84674%0.738SS**  cis64.5153.618.156.9163.5000118.5
257P45.9Very low41.4Very low120 Ų120123.8 Ų123.878%0.77975%0.747SS**  cis-136.1-172-5.436.9-17.1000116.4
258G38.6Very low41.7Very low58 Ų58120.6 Ų120.660%0.59874%0.742SS**  trans151.3105.3136.200000123.7
259F44.7Very low41.8Very low210 Ų210120 Ų12092%0.92174%0.737SS**  trans93.4149.9138.1-54.8-68.6000124.6
260P48.7Very low42.2Very low106 Ų106122.6 Ų122.669%0.68874%0.737SS**  trans-139.1-168.4-154.542.9-21000117.7P78P78-P260 HydrophobicContact CB-CG 4.45Å; P78-P260 HydrophobicContact CG-CG 4.26Å
261A42.5Very low42.2Very low86 Ų86126.1 Ų126.171%0.71174%0.736SS**  trans-158.9168.3167.200000113.6
262E39.2Very low42.5Very low93 Ų93122.9 Ų122.944%0.43574%0.735SS.*  trans-110.4-177.2-168.8-161.5-172.29300114.4A77 P78 L79A77-E262 HydrophobicContact CB-CG 4.35Å; A77-E262 WeakPolarHBondContact CB-OE2 3.2Å; P78-E262 HydrophobicContact CG-CB 4.07Å; P78-E262 VanDerWaalsContact N-OE2 3.08Å; L79-E262 PolarHBondContact N-OE2 2.8Å
263G39.9Very low42.5Very low64 Ų64120.4 Ų120.466%0.6673%0.734SS**  trans159.9100.7144.500000120.7
264A38.9Very low42.6Very low103 Ų103125.3 Ų125.385%0.85174%0.739SS**  trans70.1151.4141.400000124.2
265I43.2Very low42.5Very low159 Ų159125.7 Ų125.782%0.81574%0.741SS**  trans-113.4155.5175.6-30.5172000108.1
266P45.4Very low42.5Very low110 Ų110125.4 Ų125.471%0.71474%0.739SS**  -161.9135110.136.1-14.3000120.1
267L47Very low41.8Very low158 Ų158123.2 Ų123.283%0.82773%0.733SS**  68.2-174129.2-54.9177000119.5
268P45.9Very low41.2Very low107 Ų107123 Ų12370%0.69572%0.722SS**  -142.4174.7-77.946-30.3000118.1
269V38.9Very low41.1Very low109 Ų109123.9 Ų123.966%0.66171%0.712SS**  trans41.2119.4149.7-175.70000121.3F271V269-F271 HydrophobicContact CG1-CD2 3.69Å; V269-F271 HydrophobicContact CG1-CE2 4.05Å
270D49.3Very low40.5Very low158 Ų158119.1 Ų119.185%0.84570%0.702SS**  trans-141.1128.2131.8-93.3-44.9000106.9
271F41.9Very low39.6Very low162 Ų162115.8 Ų115.871%0.71168%0.683SS**  92.3118.750-98.8-67.5000115.4V269V269-F271 HydrophobicContact CG1-CD2 3.69Å; V269-F271 HydrophobicContact CG1-CE2 4.05Å
272L46.2Very low39Very low156 Ų156113.9 Ų113.982%0.81767%0.665SS**  trans73.2145.4164.7-53.1177.9000118.3
273S37.6Very low38.7Very low93 Ų93110.9 Ų110.965%0.6565%0.651SS**  cis-172.3163.7-22.8-170.60000111.5
274K41.3Very low38.7Very low189 Ų189108.5 Ų108.582%0.82262%0.624SS**  trans96.9145.2156.1-53.1176.9-175.1175.20120
275V35.8Very low38.3Very low131 Ų131107.2 Ų107.279%0.79460%0.603SS**  trans75.883165.1-156.50000118.3
276S35.3Very low37.7Very low97 Ų97101 Ų10168%0.67858%0.578SS**  23.9126.6119.3-47.50000119.6
277T31.7Very low37.4Very low119 Ų119100.8 Ų100.873%0.7358%0.576SS**  69.6127.285.1-47.60000112.3
278E32.3Very low36.7Very low115 Ų11597.4 Ų97.454%0.53757%0.566SS.*  cis-143.5139.216.1-122.5147156.600109.3N621E278-N621 HydrophobicContact CG-CB 4.18Å; E278-N621 VanDerWaalsContact OE1-CB 3.27Å; E278-N621 WeakPolarHBondContact OE1-CB 3.09Å; E278-N621 PolarHBondContact OE1-ND2 2.67Å; E278-N621 PolarHBondContact OE2-ND2 3.48Å
279I36.6Very low36.2Very low76 Ų7699 Ų9939%0.3957%0.574SS.*  57.4114.8101.9-59-173.7000115.2N621 Q623I279-N621 WeakPolarHBondContact CD1-O 3.14Å; I279-N621 HydrophobicContact CG2-CB 4.42Å; I279-Q623 HydrophobicContact CG2-CB 3.58Å
280P32.2Very low36Very low111 Ų11197.2 Ų97.272%0.72158%0.577SS**  -146164.699.840.1-26.2000115.4Q623P280-Q623 VanDerWaalsContact C-CD 3.44Å; P280-Q623 PolarHBondContact O-NE2 3.24Å
281A29.7Very low35.3Very low35 Ų35101.3 Ų101.329%0.28958%0.581SS.*  trans-153143.1154.400000113.4Q623A281-Q623 HydrophobicContact CB-CB 4.15Å; A281-Q623 HydrophobicContact CB-CG 3.48Å; A281-Q623 VanDerWaalsContact CB-CG 3.48Å
282S31.1Very low35Very low46 Ų4697.8 Ų97.832%0.32258%0.582SS.*  trans-12.3137133.252.10000116.7S624S282-S624 WeakPolarHBondContact O-CB 3.48Å; S282-S624 PolarHBondContact O-OG 2.99Å
283E32.7Very low34.5Very low30 Ų3099.2 Ų99.214%0.1458%0.582CS.*  32.9139.4113.3-67.4-71.7110.300119R5 E7 S624R5-E283 WeakPolarHBondContact CB-OE2 3.18Å; R5-E283 VanDerWaalsContact CD-CD 3.47Å; R5-E283 WeakPolarHBondContact CD-OE1 3.49Å; R5-E283 WeakPolarHBondContact CD-OE2 3.39Å; R5-E283 IonicContact CZ-OE1 3.93Å; R5-E283 IonicContact NE-OE1 2.74Å; R5-E283 IonicContact NH2-OE1 2.72Å; R5-E283 PolarHBondContact NH2-OE1 3.42Å; E7-E283 HydrophobicContact CB-CG 3.95Å; E7-E283 HydrophobicContact CG-CG 4.31Å; E7-E283 WeakPolarHBondContact OE1-CG 3.28Å; E283-S624 PolarHBondContact O-OG 3.07Å; E283-S624 VanDerWaalsContact O-OG 3.07Å
284P40.8Very low34.4Very low15 Ų1597.8 Ų97.810%0.09758%0.581CS.*  cis-75.4-158.22.4-2342.2000114.7R5 C626R5-P284 HydrophobicContact CB-CB 3.62Å; R5-P284 PolarHBondContact NH2-O 2.79Å; P284-C626 VanDerWaalsContact CD-SG 3.58Å; P284-C626 HydrophobicContact CG-CB 4.26Å
285D29Very low34Very low75 Ų7597.5 Ų97.540%0.40158%0.583SS.*  cis-147.9142.243.8-58.1-34000114E3 R5E3-D285 HydrophobicContact CB-CB 4Å; E3-D285 CarbonylContact O-C 3.58Å; E3-D285 WeakPolarHBondContact O-CA 3.24Å; E3-D285 WeakPolarHBondContact O-CB 3.26Å; R5-D285 VanDerWaalsContact NE-C 3.3Å; R5-D285 VanDerWaalsContact NE-N 3.17Å; R5-D285 PolarHBondContact NE-O 3.11Å; R5-D285 PolarHBondContact NH1-O 2.94Å
286G31.7Very low33.9Very low28 Ų2898.9 Ų98.929%0.28959%0.586SS.*  trans-95.7-123.5-17400000119.9E3 P4E3-G286 WeakPolarHBondContact CB-O 3.34Å; E3-G286 WeakPolarHBondContact CG-O 2.8Å; E3-G286 PolarHBondContact O-N 3.02Å; E3-G286 VanDerWaalsContact O-N 3.09Å; P4-G286 WeakPolarHBondContact O-CA 3.44Å
287P38.9Very low33.9Very low106 Ų10698.3 Ų98.369%0.68859%0.587SS**  trans-141.4148.3-172.241.3-24000120.2P4P4-P287 WeakPolarHBondContact O-CD 3.06Å
288S32.1Very low33.9Very low88 Ų8898.3 Ų98.362%0.61559%0.589SS**  trans-166.6136.9157.2179.10000111.7
289V35.8Very low34Very low140 Ų140101.3 Ų101.385%0.84861%0.608SS**  cis-153.6147.1-8.8126.70000110.6
290G33.4Very low33.9Very low72 Ų72106.8 Ų106.874%0.74263%0.632SS**  trans101144.9152.100000118.4
291R34.8Very low33.7Very low244 Ų244111.3 Ų111.392%0.92164%0.64SS**  cis-164.6127.2-2.5179.3-178.5-176-174.73.7112.4
292A35.9Very low34Very low88 Ų88112.7 Ų112.773%0.72765%0.645SS**  trans29.9151.9150.500000122.1
293K35.7Very low33.8Very low186 Ų186115.4 Ų115.481%0.80965%0.652SS**  cis-141.9163.923.1-59.9177.7171-172.90110.3
294G35.6Very low33.6Very low63 Ų63120.1 Ų120.165%0.64967%0.673SS**  cis95.5146.313.400000113
295Q33.7Very low33Very low183 Ų183124.3 Ų124.386%0.85570%0.698SS**  cis-157.5166.9-0.1-82.2142.4-96.700108.2
296D32.9Very low32.9Very low160 Ų160125 Ų12586%0.85670%0.699SS**  trans-142.2151.9158.5-167.725.5000112
297A35.6Very low32.8Very low84 Ų84127.6 Ų127.669%0.69471%0.705SS**SBendtrans56.2145.9177.800000118.7
298P32.2Very low32.7Very low120 Ų120127.9 Ų127.978%0.77971%0.705SS**  trans-110.7146.2-16639.2-29.8000115.4
299L34.3Very low32.8Very low178 Ų178128.3 Ų128.393%0.93271%0.706SS**  trans-123.6109.8158.4-76.1168.9000107.9
300E33.3Very low32.5Very low190 Ų190128.5 Ų128.589%0.88870%0.703SS**  trans-80128.8172.4-76.3-164128.900110.4
301F29.1Very low32.7Very low206 Ų206130.1 Ų130.190%0.90470%0.698SS**  trans-104.5113-178.9-144.8-90.6000108.2
302T34.6Very low32.7Very low64 Ų64127.2 Ų127.239%0.39369%0.694SS.*  trans-149.579.2178.3-49.70000112.1K366T302-K366 HydrophobicContact CG2-CD 3.73Å; T302-K366 HydrophobicContact CG2-CG 3.99Å; T302-K366 WeakPolarHBondContact O-CE 3Å; T302-K366 PolarHBondContact O-NZ 2.71Å
303F28.7Very low32.6Very low104 Ų104130 Ų13046%0.45669%0.69SS.*  trans47.3155.2145.970.2-124.5000124.1G365 K366F303-G365 WeakPolarHBondContact CE2-O 3.31Å; F303-G365 WeakPolarHBondContact CZ-O 3.21Å; F303-K366 PolarHBondContact O-NZ 2.92Å
304H28.2Very low32.3Very low128 Ų128128.1 Ų128.159%0.59368%0.684SS**  trans64.3116166.3-52.8-39.8000116.9P363H304-P363 HydrophobicContact CB-CB 4.45Å; H304-P363 HydrophobicContact CB-CG 3.73Å
305V27.3Very low31.9Very low103 Ų103132.4 Ų132.462%0.62469%0.688SS**  78.89751.41740000110.6P363V305-P363 WeakPolarHBondContact O-CD 3.38Å; V305-P363 WeakPolarHBondContact O-CG 3.46Å
306E26.4Very low31.8Very low91 Ų91127.7 Ų127.743%0.42568%0.68SS.*  -167.9152.299.3-122.7163137.600115.6A361 A362E306-A361 VanDerWaalsContact CD-C 3.42Å; E306-A361 VanDerWaalsContact OE1-C 3.25Å; E306-A361 WeakPolarHBondContact OE1-CA 3.19Å; E306-A361 PolarHBondContact OE1-N 2.73Å; E306-A361 VanDerWaalsContact OE1-N 3.11Å; E306-A362 WeakPolarHBondContact OE2-CA 3.25Å; E306-A362 PolarHBondContact OE2-N 3.12Å
307I30.3Very low31.6Very low81 Ų81127.7 Ų127.742%0.41567%0.674SS.*  trans27.2122150.9-68.6159.5000120.7A360I307-A360 HydrophobicContact CD1-CB 3.72Å; I307-A360 WeakPolarHBondContact CD1-O 3.34Å
308T36.3Very low31.6Very low112 Ų112128.4 Ų128.469%0.68767%0.674SS**  trans-78127.1158.846.80000112.2
309P34.3Very low31.6Very low98 Ų98131.5 Ų131.564%0.63668%0.678SS**  trans-85.5128.8149.132.9-29.4000109.7V311P309-V311 HydrophobicContact CB-CG2 3.92Å; P309-V311 HydrophobicContact CG-CG2 4.1Å; P309-V311 PolarHBondContact O-N 3.21Å; P309-V311 VanDerWaalsContact O-N 3.17Å
310N30.7Very low31.6Very low144 Ų144128.5 Ų128.577%0.7766%0.659SS**  trans-73103.2167.9173.533.7000109.1
311V36.4Very low31.5Very low105 Ų105122.8 Ų122.864%0.63663%0.632SS**  trans-11379.9-178.8-174.90000110.2P309 K313P309-V311 HydrophobicContact CB-CG2 3.92Å; P309-V311 HydrophobicContact CG-CG2 4.1Å; P309-V311 PolarHBondContact O-N 3.21Å; P309-V311 VanDerWaalsContact O-N 3.17Å; V311-K313 VanDerWaalsContact C-N 3.27Å; V311-K313 HydrophobicContact CG1-CB 3.97Å; V311-K313 PolarHBondContact O-N 3.44Å; V311-K313 VanDerWaalsContact O-N 3.1Å
312Q34.6Very low32Very low183 Ų183118.7 Ų118.786%0.85562%0.619SS**  trans-73.688.8153.2-71-164.59.400107.8E314Q312-E314 PolarHBondContact O-N 2.84Å
313K34.9Very low32.1Very low147 Ų147117.3 Ų117.364%0.63962%0.618SS**  trans-75.6114.1179.3-164.9-173-174.5-163.70110.5V311 Q315V311-K313 VanDerWaalsContact C-N 3.27Å; V311-K313 HydrophobicContact CG1-CB 3.97Å; V311-K313 PolarHBondContact O-N 3.44Å; V311-K313 VanDerWaalsContact O-N 3.1Å; K313-Q315 PolarHBondContact O-N 3.35Å; K313-Q315 VanDerWaalsContact O-N 3.17Å
314E27.9Very low32.5Very low146 Ų146123.8 Ų123.868%0.68264%0.639SS**  trans-60.3110.8162.9-174.7-172.4172.500110.5Q312 H317Q312-E314 PolarHBondContact O-N 2.84Å; E314-H317 IonicContact OE1-CD2 2.66Å; E314-H317 IonicContact OE1-CE1 2.67Å; E314-H317 IonicContact OE1-NE2 2.66Å; E314-H317 PolarHBondContact OE1-NE2 2.71Å
315Q28.5Very low32.9Very low154 Ų154121.4 Ų121.472%0.7264%0.642SS**  trans-164.9136.5157.5-111.8173.9-29.200108K313K313-Q315 PolarHBondContact O-N 3.35Å; K313-Q315 VanDerWaalsContact O-N 3.17Å
316A32.3Very low33.5Very low83 Ų83120 Ų12069%0.68664%0.641SS**  cis-125.6145.314.900000113.9
317H28.7Very low34.2Very low160 Ų160124.6 Ų124.674%0.74166%0.66SS**  trans-75.3128.6152.3-71.5-105.8000108.7E314E314-H317 IonicContact OE1-CD2 2.66Å; E314-H317 IonicContact OE1-CE1 2.67Å; E314-H317 IonicContact OE1-NE2 2.66Å; E314-H317 PolarHBondContact OE1-NE2 2.71Å
318S34.5Very low34.9Very low99 Ų99126.6 Ų126.669%0.69268%0.678SS**  trans-156.371.7163.366.10000112
319E31.6Very low35Very low185 Ų185124.8 Ų124.886%0.86468%0.682SS**  trans64.8159.8144.9-60.3178.196.700120.9
320E34.5Very low35.3Very low116 Ų116124.8 Ų124.854%0.54269%0.69SS.*  trans56.3120.9178.9-48.4-15091.200116.5S659E320-S659 WeakPolarHBondContact OE1-CB 3.32Å; E320-S659 PolarHBondContact OE1-OG 2.74Å
321H31.9Very low36.1Very low69 Ų69123.8 Ų123.832%0.31969%0.692SS.*  -168.5175.550.5-60.985.7000112.1S659 L660 G661 N662H321-S659 CarbonylContact C-O 3.56Å; H321-S659 WeakPolarHBondContact CA-O 3.25Å; H321-S659 WeakPolarHBondContact CB-O 3.32Å; H321-L660 HydrophobicContact CB-CD2 3.98Å; H321-L660 HydrophobicContact CB-CG 4.35Å; H321-G661 PolarHBondContact CD2-N 2.72Å; H321-N662 PolarHBondContact CD2-N 2.87Å; H321-N662 WeakPolarHBondContact NE2-CB 3.33Å; H321-N662 PolarHBondContact NE2-N 3.47Å; H321-N662 PolarHBondContact NE2-ND2 3.28Å
322L40.3Very low36.4Very low120 Ų120122.2 Ų122.263%0.62870%0.697SS**  trans-153.8119.2166.6-158.3-66.2000114.8S659L322-S659 PolarHBondContact N-O 3.09Å
323G35.5Very low36.8Very low35 Ų35123.1 Ų123.136%0.36170%0.701SS.*  trans-177.9136.9164.500000112.9L660G323-L660 WeakPolarHBondContact O-CD1 3.26Å
324R37.6Very low36.8Very low240 Ų240119.4 Ų119.491%0.90671%0.705SS**  69.8121.753.6-164.7172.5-166-98.20.2110
325A37.3Very low37.6Very low79 Ų79118.3 Ų118.365%0.65371%0.71SS**  cis-160.6-179.730.500000110.3
326A38.7Very low37.9Very low72 Ų72119.7 Ų119.760%0.59572%0.716SS**  cis-178.3-164.9-17.200000110
327F42.6Very low38.2Very low189 Ų189119.7 Ų119.783%0.82972%0.716SS**  trans102.6154.9157-51.3-63.1000116.8
328P44.9Very low38.5Very low122 Ų122124.2 Ų124.279%0.79273%0.727SS**  -133.7-168.8-86.932.7-9.9000114.9
329G36.7Very low38.6Very low75 Ų75122.8 Ų122.877%0.77373%0.728SS**  trans-74.3-162.3177.600000115.1
330A41.4Very low39.2Very low98 Ų98119.7 Ų119.781%0.8172%0.724SS**  cis-160.3-145.712.200000107.7
331P48Very low39.4Very low123 Ų123118.7 Ų118.780%0.79973%0.73SS**  cis-136.5177.9-19.641.9-24.6000116
332G43Very low39.7Very low72 Ų72122.7 Ų122.774%0.74275%0.753SS**  trans87.215815100000118.6
333E41.3Very low39.7Very low201 Ų201119.8 Ų119.894%0.93975%0.752SS**  cis-148.6167.6-9-61.3-165.8136.800110.4
334G36.4Very low40Very low70 Ų70125.6 Ų125.672%0.72277%0.77SS**  trans-97.4-156.317600000113.8
335P43.6Very low40.3Very low122 Ų122120.8 Ų120.879%0.79276%0.762SS**  cis-143.9179.49.544-24.7000118.1
336E35.7Very low40.4Very low184 Ų184122.5 Ų122.586%0.8677%0.765SS**  trans38.7119.3148-72.3-165.486.500126.3
337A37.1Very low40.5Very low83 Ų83126.1 Ų126.169%0.68677%0.767SS**  68.4107.4119.300000124.1
338R36.4Very low40.4Very low254 Ų254124.7 Ų124.796%0.95876%0.763SS**  177.1158.4118.3-94.8167.1-179.5-151.4-1.3111.7
339G35.4Very low40.1Very low70 Ų70123.9 Ų123.972%0.72277%0.766SS**  trans-90.6-163175.800000113.9
340P44Very low40.1Very low119 Ų119127.3 Ų127.377%0.77377%0.767SS**  cis-145.5171.717.644.8-25.9000119.2
341S38.9Very low40.2Very low96 Ų96130.4 Ų130.467%0.67177%0.769SS**  trans43.5136.5141.167.60000127
342L39.6Very low40.1Very low152 Ų152127.2 Ų127.280%0.79675%0.748SS**  trans88.3126.1136-86.5161.1000123
343G40.6Very low39.9Very low60 Ų60130.9 Ų130.962%0.61975%0.746SS**  trans91.296.316900000115.1
344E41.3Very low39.8Very low156 Ų156125.7 Ų125.773%0.72973%0.73SS**  cis67134.636.7-55.7105.2-130.100114.7
345D42.5Very low39.9Very low139 Ų139125.3 Ų125.374%0.74372%0.716SS**  cis-165.6170-10.3171.151.4000109.6
346T40.5Very low39.4Very low115 Ų115126 Ų12671%0.70671%0.709SS**  trans177.3102.1145.1-67.20000115
347K41.4Very low39.4Very low149 Ų149125 Ų12565%0.64870%0.701SS**  trans66.6146.7144.6-58179.4156.1-70.70123.4
348E39.8Very low39.4Very low159 Ų159128.5 Ų128.574%0.74370%0.704SS**  cis-179167.8-10.1-97.9149.4-17500108.5
349A38.5Very low39.5Very low104 Ų104121.3 Ų121.386%0.8669%0.69SS**  cis-166.2-174.1-6.800000112.9
350D37Very low39.7Very low148 Ų148121.3 Ų121.379%0.79168%0.683SS**  trans-157.8171-168.8-176.837.5000118.7
351L43.8Very low39.5Very low163 Ų163119.6 Ų119.685%0.85368%0.679SS**  trans169.10158.2-91.2168.5000119.7
352P44.4Very low39.5Very low56 Ų56119 Ų11936%0.36468%0.68SS.*  0-145.7046.4-36.5000122.6Q642P352-Q642 PolarHBondContact O-NE2 3.1Å
353E38.8Very low39.7Very low149 Ų149115.6 Ų115.670%0.69667%0.667SS**  trans-129.50-148.4-45.4-177.286.600122.2Q642E353-Q642 VanDerWaalsContact CA-NE2 3.33Å; E353-Q642 VanDerWaalsContact O-CG 3.22Å; E353-Q642 WeakPolarHBondContact O-CG 3.34Å; E353-Q642 PolarHBondContact O-NE2 3.32Å
354P40.8Very low40Very low92 Ų92122.6 Ų122.660%0.59768%0.675SS**  0-145.7044.6-17.8000124.2I643P354-I643 CarbonylContact C-O 3.5Å; P354-I643 VanDerWaalsContact CA-O 3.31Å; P354-I643 WeakPolarHBondContact CA-O 3.5Å; P354-I643 VanDerWaalsContact O-O 3.13Å
355S37.4Very low40.1Very low61 Ų61117.4 Ų117.443%0.42766%0.663SS.*  trans-126.3-175.6-146.6-29.60000118.6V641 I643S355-V641 PolarHBondContact OG-O 3.17Å; S355-I643 WeakPolarHBondContact OG-CG1 3.39Å; S355-I643 PolarHBondContact OG-N 3.11Å
356E33.1Very low40.6Very low138 Ų138117.5 Ų117.565%0.64566%0.656SS**  cis-166.5-163.4-8.2-152.5-163.7174.100110.7I643E356-I643 HydrophobicContact CB-CD1 4.21Å; E356-I643 HydrophobicContact CG-CD1 3.8Å
357K36.3Very low41.2Very low161 Ų161117.8 Ų117.870%0.766%0.661SS**  cis-175.1155.30.7-163.7-179.2-151.275.70114.2
358Q36.8Very low41.8Very low157 Ų157117.5 Ų117.573%0.73467%0.671SS**  trans-154.2-109.4159.6-129.1-167.816.500127.7
359P39.4Very low42.5Very low104 Ų104115.3 Ų115.368%0.67567%0.673SS**  -128.3-172.4-123.642.8-26.7000123.6
360A38.5Very low43.5Very low69 Ų69122.2 Ų122.257%0.5768%0.677SS**  trans-156.3-165.2-172.500000119.5I307I307-A360 HydrophobicContact CD1-CB 3.72Å; I307-A360 WeakPolarHBondContact CD1-O 3.34Å
361A39.5Very low44Very low84 Ų84121.9 Ų121.969%0.69468%0.68SS**  trans-174.2169.5179.400000115.5E306E306-A361 VanDerWaalsContact CD-C 3.42Å; E306-A361 VanDerWaalsContact OE1-C 3.25Å; E306-A361 WeakPolarHBondContact OE1-CA 3.19Å; E306-A361 PolarHBondContact OE1-N 2.73Å; E306-A361 VanDerWaalsContact OE1-N 3.11Å
362A40.1Very low44.2Very low84 Ų84119.1 Ų119.169%0.69467%0.672SS**  cis-164156.4-16.200000115.5E306E306-A362 WeakPolarHBondContact OE2-CA 3.25Å; E306-A362 PolarHBondContact OE2-N 3.12Å
363P42.5Very low44.2Very low80 Ų80125.4 Ų125.452%0.51970%0.696SS.*  trans-137.1-176.3-172.142.3-25.5000122.5H304 V305H304-P363 HydrophobicContact CB-CB 4.45Å; H304-P363 HydrophobicContact CB-CG 3.73Å; V305-P363 WeakPolarHBondContact O-CD 3.38Å; V305-P363 WeakPolarHBondContact O-CG 3.46Å
364R47.7Very low44.3Very low207 Ų207124.9 Ų124.978%0.78170%0.697SS**  trans-154.7154.1-171.4-163.9-164.4-84.5-1453119.3D221D221-R364 IonicContact OD1-CZ 3.25Å; D221-R364 IonicContact OD1-NH1 2.71Å; D221-R364 PolarHBondContact OD1-NH1 3.41Å; D221-R364 IonicContact OD1-NH2 2.84Å; D221-R364 PolarHBondContact OD1-NH2 2.87Å; D221-R364 IonicContact OD2-NH1 3.69Å
365G42.8Very low44.2Very low46 Ų46129.4 Ų129.447%0.47471%0.708SS.*  trans114.9132.5149.800000124.5F303F303-G365 WeakPolarHBondContact CE2-O 3.31Å; F303-G365 WeakPolarHBondContact CZ-O 3.21Å
366K53.9Low44.2Very low141 Ų141131.2 Ų131.261%0.61373%0.726SS**  trans-163.30-176.9-45.8-178.3-171.2-178.40112.1T302 F303T302-K366 HydrophobicContact CG2-CD 3.73Å; T302-K366 HydrophobicContact CG2-CG 3.99Å; T302-K366 WeakPolarHBondContact O-CE 3Å; T302-K366 PolarHBondContact O-NZ 2.71Å; F303-K366 PolarHBondContact O-NZ 2.92Å
367P52.2Low44.6Very low122 Ų122136.1 Ų136.179%0.79274%0.739SS**  00044-20.6000117.5
368V53.8Low44.7Very low143 Ų143136.7 Ų136.787%0.86775%0.746SS**  0144.50176.90000123.7
369S55.3Low44.8Very low112 Ų112135.3 Ų135.378%0.78375%0.748SS**  trans-170.7172.7165.7730000121.1
370R58.5Low45.2Very low250 Ų250135.4 Ų135.494%0.94375%0.751SS**  trans-151.3121.1165.4-86-166.6-177.3-164.9-1.1118.8
371V48.2Very low45.5Very low141 Ų141142.3 Ų142.386%0.85577%0.769SS**  trans-138.6-98.2179.6-144.80000123.5
372P49Very low45.8Very low105 Ų105143.7 Ų143.768%0.68277%0.773SS**  -129173.5-127.439.6-22.8000121.6
373Q43.6Very low46.4Very low188 Ų188148 Ų14888%0.87978%0.776SS**  trans176.6175.3171.1-101.8153.3100.400114.1
374L40.8Very low46.5Very low137 Ų137151 Ų15172%0.71779%0.788SS**  cis-168.8172.7-36.4-120.1-171.5000114.7
375K39Very low46.5Very low188 Ų188143.8 Ų143.882%0.81778%0.778SS**  trans89.6150.8159.7-109.571.9177.5-1740123.4
376A36.6Very low46.6Very low99 Ų99149 Ų14982%0.81880%0.801SS**  trans-166.3175.9-162.100000116.3
377R41.1Very low46.2Very low241 Ų241145.1 Ų145.191%0.90980%0.8SS**  trans162.898.3140.2-175.3175.6-176.3175.11.2119.7
378M38.7Very low46.1Very low173 Ų173144.2 Ų144.285%0.85280%0.797SS**  59.3149.4125.7-128.5172.610100128.2
379V39.8Very low45.9Very low127 Ų127142.6 Ų142.677%0.7778%0.784SS**  trans95.1157.3159.1-153.80000119.9
380S47.9Very low46.1Very low107 Ų107143.2 Ų143.275%0.74878%0.778SS**  trans-151.3160.4-146.957.90000118.3
381K44.8Very low46Very low214 Ų214139.5 Ų139.593%0.9377%0.769SS**  trans-169.9-177.7150.2-118.2179.3-178.4-177.90115.2
382S44.7Very low46.1Very low113 Ų113142.5 Ų142.579%0.7977%0.77SS**  trans-158.2169.2-16554.70000117.3
383K54.2Low45.9Very low175 Ų175142 Ų14276%0.76178%0.775SS**  trans89.5161.9145.7-173.1171171176.90124.1
384D43.5Very low46Very low142 Ų142142.2 Ų142.276%0.75977%0.773SS**  trans74.6159.6154.4-89.7-11.9000123.6
385G47.4Very low46Very low56 Ų56141.4 Ų141.458%0.57777%0.774SS**  cis172.4-172-2.500000115.4
386T44.7Very low46Very low155 Ų155137.3 Ų137.395%0.95177%0.769SS**  trans92.7152.5176.8-43.30000116.7
387G47.3Very low46.1Very low59 Ų59138.3 Ų138.361%0.60877%0.765SS**  cis149.7164-13.700000116.9
388S49.6Very low46.1Very low103 Ų103137.8 Ų137.872%0.7276%0.763SS**  trans79160.1162.678.40000122
389D48.9Very low46.1Very low110 Ų110134 Ų13459%0.58875%0.754SS**  cis-172-179.2-30.5-99-61.2000113.6R472D389-R472 IonicContact OD1-CZ 3.97Å; D389-R472 IonicContact OD1-NH1 3.24Å; D389-R472 PolarHBondContact OD1-NH1 3.32Å; D389-R472 IonicContact OD2-CZ 2.66Å; D389-R472 VanDerWaalsContact OD2-CZ 3.24Å; D389-R472 IonicContact OD2-NH1 2.61Å; D389-R472 PolarHBondContact OD2-NH1 3.07Å; D389-R472 IonicContact OD2-NH2 3.53Å; D389-R472 PolarHBondContact OD2-NH2 2.94Å
390D58.8Low46.1Very low125 Ų125133.2 Ų133.267%0.66875%0.754SS**  trans122.3115.3137.6-101.8-15.5000128.8
391K56.5Low45.6Very low172 Ų172132.6 Ų132.675%0.74876%0.756SS**  trans83.4106136.2-80162.4-178.380.40129.8
392K51.7Low45.5Very low203 Ų203132 Ų13288%0.88375%0.753SS**  100.594.4114.1-158.9179.5179.6-175.60127.3
393A44.2Very low45.2Very low95 Ų95132 Ų13279%0.78575%0.748SS**  50.1137.9128.300000128.8
394K46.2Very low44.8Very low192 Ų192130.6 Ų130.684%0.83575%0.749SS**  158.2110.2110.2-167.4174.4-175.8-173.90119.8
395T40.1Very low44.7Very low120 Ų120132.1 Ų132.174%0.73675%0.748SS**  trans62.3121.3137.7-48.10000127.3
396S39.9Very low44.4Very low103 Ų103137.3 Ų137.372%0.7276%0.763SS**  trans95.1114.7138.2-86.60000128.4
397T38.9Very low44.3Very low119 Ų119140.7 Ų140.773%0.7376%0.758SS**  87.6120.8116.7-52.60000124.9
398R39.4Very low44Very low230 Ų230143 Ų14387%0.86876%0.762SS**  trans85.6122.6148.5-92-174.5178.3-171.9-1125
399S39.5Very low43.2Very low95 Ų95142.8 Ų142.866%0.66476%0.76SS**  102.3115.2118.6-77.70000125.1
400S40.6Very low42.8Very low109 Ų109145.8 Ų145.876%0.76278%0.775SS**  8985.3123.4-570000124
401A37Very low42.1Very low95 Ų95145.1 Ų145.179%0.78578%0.78SS**  27.5139.712400000124.1
402K41.6Very low41.3Very low201 Ų201142.5 Ų142.587%0.87478%0.781SS**  -173.4112.3115.1-101.3167.4-176.1-178.60116.4
403T39.3Very low40.5Very low113 Ų113142.5 Ų142.569%0.69378%0.781SS**  trans28124.8135-31.30000123.3
404L44.8Very low39.9Very low146 Ų146145.9 Ų145.976%0.76478%0.78SS**  165.7102.5117.3-86.2171.7000110.1
405K43.1Very low39.7Very low173 Ų173142 Ų14275%0.75277%0.774SS**  64.894.795.5-70.9-167.4-175.5-175.40116.1
406N40.7Very low39.9Very low166 Ų166141.5 Ų141.589%0.88877%0.771SS**  -176.2162.7108-85.6-12.1000112.6
407R42.2Very low40Very low226 Ų226142.7 Ų142.785%0.85378%0.777SS**  trans-143.7163.7-169.5179.9178.3179.2-153.9-1.1105.9
408P40.1Very low40Very low106 Ų106139.9 Ų139.969%0.68877%0.771SS**  cis-131.5171.118.312.216.3000119.3
409C33.2Very low40Very low99 Ų99134.3 Ų134.367%0.66977%0.768SS**  trans38.3125.4139.8-53.50000122.2
410L41.6Very low40.2Very low174 Ų174134.7 Ų134.791%0.91177%0.77SS**  -159.216193.5-95.1170.6000110.5
411S42.8Very low40.3Very low111 Ų111136 Ų13678%0.77677%0.769SS**  trans-105.4-174.1-173.6-40.10000111.4
412P40.9Very low40.9Very low116 Ų116136.2 Ų136.275%0.75376%0.762SS**  cis-132.6163.6-18.138.7-23.7000114.9
413K33.5Very low41.1Very low204 Ų204134.2 Ų134.289%0.88776%0.76SS**  trans168.8128.3138.2-98.1165.8-177.1178.50114.9
414H32.9Very low41.3Very low166 Ų166136.4 Ų136.477%0.76977%0.766SS**  trans61.4176.1156.2-116.2-129.9000117.1
415P42.5Very low41.1Very low110 Ų110138.1 Ų138.171%0.71477%0.77SS**  cis-132176.12.942.7-25.8000118.5
416T44.1Very low41.3Very low110 Ų110134.7 Ų134.768%0.67577%0.765SS**  trans-57.5157.8159.21.40000113.3
417P41.8Very low41.5Very low128 Ų128132.7 Ų132.783%0.83176%0.764SS**  -147.2-176.888.136.1-16.5000113.8
418G38.4Very low41.8Very low60 Ų60127.2 Ų127.262%0.61976%0.761SS**  cis136.5164.4-400000113.8
419S40.1Very low42Very low113 Ų113127.9 Ų127.979%0.7977%0.765SS**  trans68.2159.3-171.284.10000114.6
420S42.9Very low42.2Very low102 Ų102127.2 Ų127.271%0.71377%0.766SS**  cis-155.816611.1-6.80000108.1
421D42.4Very low42Very low138 Ų138125.7 Ų125.774%0.73876%0.764SS**  cis-179.2-173.3-12.8-118.1-100.9000106.4
422P50.5Low41.4Very low99 Ų99125.8 Ų125.864%0.64376%0.764SS**  cis-136.3-166.3-14.732.8-9.8000114.8
423L44.8Very low41.5Very low158 Ų158125.8 Ų125.883%0.82776%0.763SS**  trans105.9142134.9-102.7171.8000121.8
424I44.8Very low41.6Very low160 Ų160124 Ų12482%0.82176%0.758SS**  trans77.586.3175.9-47.2-174.2000116.4
425Q39.1Very low42.1Very low182 Ų182121.7 Ų121.785%0.8576%0.758SS**  trans-107.1-169.3165-114.2-172.2-8.500108.3
426P49Very low42Very low100 Ų100121.4 Ų121.465%0.64976%0.756SS**  cis-132.9173.7-34.935.9-20000112.9
427S44.7Very low41.8Very low125 Ų125121.3 Ų121.387%0.87476%0.76SS**  trans-154132.4151.7-77.30000111.5
428S47.2Very low42Very low111 Ų111119.9 Ų119.978%0.77675%0.753SS**  trans-100.6-173-177.9-320000110.4
429P45.3Very low42.3Very low120 Ų120121.8 Ų121.878%0.77976%0.755SS**  cis-135.7-164.1-12.834.5-12.6000113.6
430A37.4Very low42.4Very low84 Ų84125.6 Ų125.669%0.69476%0.757SS**  trans94.3122138.900000122.1
431V37Very low42Very low142 Ų142131 Ų13186%0.86176%0.763SS**  trans75.6116.8135.1176.90000119.8
432C30.7Very low42.3Very low114 Ų114130 Ų13077%0.7776%0.762SS**  trans-92-178.4160.9-170000110.3
433P41.7Very low41.8Very low115 Ų115130.1 Ų130.175%0.74777%0.765SS**  cis-130.3164.9-20.439.1-24.4000113.8
434E35.7Very low41.6Very low167 Ų167127.6 Ų127.678%0.7876%0.76SS**  trans61.7148.7168.5-122.7-179.7126.500116.9P436E434-P436 WeakPolarHBondContact OE1-CD 3.11Å
435P44Very low41.4Very low117 Ų117125.9 Ų125.976%0.7676%0.757SS**  -149.7164.888.139.9-23.5000115.9
436P39.8Very low41.6Very low105 Ų105122.8 Ų122.868%0.68275%0.751SS**  trans-86.6147.416434.9-31.9000112E434E434-P436 WeakPolarHBondContact OE1-CD 3.11Å
437S39.9Very low41.2Very low108 Ų108122.4 Ų122.476%0.75575%0.75SS**  trans-162.6139.6173.2176.20000109.3
438S46.3Very low41Very low97 Ų97127.1 Ų127.168%0.67875%0.749SS**  cis-171.5-169-14.458.30000106
439P44.4Very low40.5Very low101 Ų101128.2 Ų128.266%0.65675%0.751SS**  cis-136.9-175.9-4.832.5-9.2000115.9
440K43.4Very low40.2Very low192 Ų192126.1 Ų126.184%0.83575%0.751SS**  trans106.7106.8153.8-60.1172.1-176.7174.40119.2
441Y34.9Very low40.3Very low217 Ų217128.1 Ų128.185%0.85176%0.76SS**  trans94.5133.1133.2-120.3-124.4000122.3
442V48.2Very low40.2Very low116 Ų116126.8 Ų126.870%0.70376%0.757SS**  trans57.696.9159.5-69.40000123.9
443S40.2Very low40.4Very low102 Ų102125.1 Ų125.171%0.71376%0.76SS**  74.6114110.2-157.50000123.7
444S40.3Very low40.1Very low105 Ų105124.2 Ų124.273%0.73476%0.762SS**  trans70.1153.5134.771.70000119.6
445V40.6Very low40.3Very low124 Ų124124.9 Ų124.975%0.75276%0.762SS**  cis-142.7146.512.1-179.10000111.5
446T43.9Very low39.8Very low117 Ų117125 Ų12572%0.71875%0.752SS**  trans-3.4144.2155.3-18.60000119.4
447S39.9Very low40.1Very low91 Ų91127.4 Ų127.464%0.63676%0.757SS**  -176146.855.9-530000118.2
448R40.7Very low39.9Very low224 Ų224130.9 Ų130.985%0.84576%0.758SS**  trans65.3143.1133.2-73.9172.7-168.7-128.70.8122.2
449T36.5Very low39.6Very low134 Ų134133.6 Ų133.682%0.82276%0.764SS**  cis-169149.9-18.28.50000113.2
450G38.5Very low39Very low76 Ų76138.2 Ų138.278%0.78477%0.774SS**  trans87.9158.5149.800000118.4
451S39.8Very low38.4Very low126 Ų126132.2 Ų132.288%0.88177%0.766SS**  cis-159.9167.5-16-161.80000111
452S36Very low38.5Very low114 Ų114126.4 Ų126.480%0.79776%0.763SS**  trans-91.4147-168.155.90000116.3
453G34.1Very low37.9Very low80 Ų80127.9 Ų127.983%0.82577%0.767SS**  trans-98.9-162.7-178.200000116.7
454A36Very low37.8Very low95 Ų95126.3 Ų126.379%0.78577%0.767SS**  trans-167.616517400000113.7
455K38.3Very low37.5Very low182 Ų182129.6 Ų129.679%0.79177%0.768SS**  trans68.3153.8160.4-74.6-175.3172.2-99.10118.7
456E33.8Very low37.1Very low118 Ų118129.2 Ų129.255%0.55177%0.766SS**  cis-172.2165.2-19.7-174.8175.6115.800109.6
457M46.8Very low36.7Very low157 Ų157131.7 Ų131.777%0.77377%0.767SS**  trans63.6149.9155.849.1-178.3150.600121.1
458K34.7Very low36.4Very low180 Ų180133.7 Ų133.778%0.78377%0.769SS**  cis-179.6128.3-15.1167.5-178.5-177.6177.10111.3
459L39.9Very low36.2Very low154 Ų154127.4 Ų127.481%0.80677%0.765SS**  trans41.6156.8149.6-48172.3000120.3
460K32.6Very low36.1Very low198 Ų198127 Ų12786%0.86176%0.763SS**  cis-172.5159.327.9-160172.8176.7178.40112.3
461G30.6Very low36.4Very low66 Ų66129.1 Ų129.168%0.6876%0.763SS**  trans98.7131.5160.300000114.9
462A37.9Very low36.2Very low95 Ų95132.1 Ų132.179%0.78576%0.755SS**  cis74134.225.100000114.1
463D35.8Very low36Very low148 Ų148130 Ų13079%0.79175%0.751SS**  cis-132.4163.44.1-86-80.8000109.9
464G36.6Very low36.1Very low69 Ų69128.9 Ų128.971%0.71173%0.734SS**  7515284.200000114.4
465K35.2Very low36.4Very low174 Ų174126.7 Ų126.776%0.75772%0.715SS**  cis-174.6143.1-4.1-115.9173.2-176.7160.50109.2
466T32.1Very low36.8Very low116 Ų116122.4 Ų122.471%0.71271%0.706SS**  trans65.6162.7146.862.40000119.6
467K34.8Very low37.3Very low169 Ų169121.3 Ų121.374%0.73571%0.709SS**  cis-168.6163.1-14-112.1171.2175.5-171.40110.6
468I35Very low36.9Very low133 Ų133116.8 Ų116.868%0.68270%0.703SS**  trans58.3121.7143.1-66.6167.4000117.5
469A34.5Very low37.5Very low91 Ų91115.6 Ų115.675%0.75270%0.701SS**  cis83.2146.636.800000116.4
470T35.1Very low37.4Very low127 Ų127117.2 Ų117.278%0.77970%0.701SS**  trans129.1124.8155.3-52.30000114.3
471P44.1Very low37.5Very low120 Ų120110.9 Ų110.978%0.77969%0.692SS**  trans-101.4-144.9176.142.1-37.1000111.9
472R35.6Very low38.1Very low189 Ų189117.2 Ų117.271%0.71370%0.704SS**  trans83.9146.8173.9-158.8172.2173.5-156-5.4113.8D389D389-R472 IonicContact OD1-CZ 3.97Å; D389-R472 IonicContact OD1-NH1 3.24Å; D389-R472 PolarHBondContact OD1-NH1 3.32Å; D389-R472 IonicContact OD2-CZ 2.66Å; D389-R472 VanDerWaalsContact OD2-CZ 3.24Å; D389-R472 IonicContact OD2-NH1 2.61Å; D389-R472 PolarHBondContact OD2-NH1 3.07Å; D389-R472 IonicContact OD2-NH2 3.53Å; D389-R472 PolarHBondContact OD2-NH2 2.94Å
473G32.7Very low38Very low70 Ų70117 Ų11772%0.72270%0.703SS**  cis-169-176.1-2.200000112.2
474A35.9Very low37.9Very low56 Ų56117.2 Ų117.246%0.46370%0.704SS.*  trans-119.6155.7-168.900000114.2H603A474-H603 VanDerWaalsContact CB-CE1 3.45Å; A474-H603 WeakPolarHBondContact CB-CE1 3.21Å; A474-H603 WeakPolarHBondContact CB-NE2 3.47Å
475A41.7Very low38Very low48 Ų48117.9 Ų117.940%0.39770%0.702SS.*  trans68.8-179.715800000114.6N600A475-N600 VanDerWaalsContact CA-CG 3.41Å; A475-N600 WeakPolarHBondContact CA-ND2 3.07Å; A475-N600 WeakPolarHBondContact CA-OD1 3.45Å; A475-N600 PolarHBondContact N-OD1 2.89Å; A475-N600 PolarHBondContact O-ND2 2.83Å; A475-N600 VanDerWaalsContact O-ND2 3.11Å
476P47.8Very low38.1Very low92 Ų92115.9 Ų115.960%0.59771%0.705SS**  cis-121.3-106.4-0.122.93000117.8
477P44.8Very low38.6Very low95 Ų95120.2 Ų120.262%0.61771%0.708SS**  -131.1-171-119.942.7-25.4000116.7S597P477-S597 PolarHBondContact O-OG 2.66Å
478G37.7Very low39.1Very low63 Ų63117.9 Ų117.965%0.64970%0.702SS**  trans98.6149.4162.100000115.4
479Q48.2Very low39.5Very low155 Ų155117.4 Ų117.472%0.72471%0.708SS**  cis-152.9155.3-3.3-95.3-165.912.200110.5
480K37.7Very low39.6Very low187 Ų187117 Ų11781%0.81370%0.704SS**  trans52130.2149.8-65.6166.9179.3158.60120.8
481G33.9Very low39.9Very low65 Ų65121.2 Ų121.267%0.6771%0.712SS**  114.4103.8114.900000119.8
482Q43.8Very low39.9Very low199 Ų199121.4 Ų121.493%0.9371%0.711SS**  trans65.6149.7143.4-63.4177.3-95.100121.9
483A36.2Very low40.7Very low92 Ų92117.7 Ų117.776%0.7671%0.712SS**  trans72.2101.914700000121.6
484N32.1Very low41.3Very low152 Ų152120.2 Ų120.281%0.81372%0.715SS**  66.287112.4-163.523.6000121.2
485A38.7Very low41.5Very low82 Ų82122 Ų12268%0.67873%0.729SS**  trans64.7173.3138.400000120.8
486T37.3Very low41.6Very low132 Ų132125.1 Ų125.181%0.8175%0.746SS**  trans77.8128.4172.2-46.60000115
487R42.6Very low41.3Very low208 Ų208130 Ų13079%0.78576%0.758SS**  cis-168.6150.2-16.1-119.8-174.4170.4-142.2-0.6108.6
488I45.8Very low41Very low120 Ų120131.6 Ų131.662%0.61577%0.766SS**  trans44.6127.6132.8-65174000118.3
489P44.3Very low41.2Very low122 Ų122134.1 Ų134.179%0.79277%0.771SS**  -149.6123.271.735.2-13.1000120.6
490A36.7Very low41Very low83 Ų83132.4 Ų132.469%0.68677%0.773SS**  trans15.8144.8131.600000123.8
491K40.9Very low40.9Very low216 Ų216128.6 Ų128.694%0.93977%0.77SS**  -148.9121.6125-107.5165.3-174.1179.90112.9
492T43.9Very low41.2Very low124 Ų124130.1 Ų130.176%0.76177%0.77SS**  trans-83.6-172.4-177.225.40000114.2
493P51.5Low40.9Very low111 Ų111124.8 Ų124.872%0.72176%0.76SS**  cis-134.8-143.5-28.337.5-14.9000109.8
494P46.1Very low41Very low123 Ų123127 Ų12780%0.79977%0.765SS**  cis-128.6176.4-19.440-22.5000116.1
495A40Very low41.3Very low92 Ų92128.7 Ų128.776%0.7677%0.765SS**  trans-129.1171.817800000112.8
496P44.6Very low41.3Very low115 Ų115133.3 Ų133.375%0.74777%0.772SS**  trans-123.8-179.3133.740.7-31.3000109.9
497K40Very low41.4Very low193 Ų193133 Ų13384%0.83977%0.77SS**  cis-127.7-139.711.8-61.9174.3179.21800110.9
498T39.6Very low41.4Very low129 Ų129130.7 Ų130.779%0.79177%0.768SS**  trans-169.9170.2-159.524.30000109.4
499P41Very low41.3Very low117 Ų117135.3 Ų135.376%0.7678%0.778SS**  cis-129.3-135.5-16.831.8-6.2000111.9
500P43.6Very low41.3Very low118 Ų118140.7 Ų140.777%0.76678%0.783SS**  -131.4169.8-108.942.2-23.9000117.4
501S36.2Very low41.8Very low108 Ų108141.6 Ų141.676%0.75578%0.781SS**  159.7158.6121.5-160.90000114.2
502S41Very low42.6Very low96 Ų96136.7 Ų136.767%0.67177%0.772SS**  trans6.1128.6162.957.50000120.5
503A37.4Very low42.9Very low87 Ų87136.4 Ų136.472%0.71977%0.772SS**  65.8139.858.200000113.5
504T36.9Very low42.5Very low140 Ų140136 Ų13686%0.85978%0.778SS**  cis-156.3-177.67.5-12.10000112.9
505K39.3Very low42.1Very low186 Ų186133.8 Ų133.881%0.80978%0.777SS**  trans-54.6145.8-178.5-57.2177.4176-179.50116.8
506Q38.5Very low42.3Very low179 Ų179134.7 Ų134.784%0.83678%0.775SS**  trans54.8141134.8-80.5-168.9-500124
507V39.1Very low41.8Very low126 Ų126140.9 Ų140.976%0.76478%0.784SS**  trans68.376.8147.1-176.80000118.1
508Q42.6Very low41.7Very low159 Ų159136.9 Ų136.974%0.74378%0.78SS**  55117.8110.6-162.5174.2121.900121.2
509R43.2Very low41.2Very low217 Ų217138.3 Ų138.382%0.81978%0.778SS**  trans78.392.2152.6-74.6171.2-172.4-136.11.1120.8
510R44.3Very low40.8Very low236 Ų236144 Ų14489%0.89178%0.784SS**  54.1150112-91.2-156.5155-154.9-1.8121.2
511P48.2Very low40.5Very low101 Ų101142 Ų14266%0.65679%0.785SS**  cis-138.3-138.4-43.144-22.2000111.3
512P56.9Low40.5Very low114 Ų114145.5 Ų145.574%0.7479%0.79SS**  trans-129.7-145.8-136.740.2-12.6000111.3
513P51.4Low40.8Very low117 Ų117145.9 Ų145.976%0.7679%0.79SS**  cis-137.2-170.5-11.840.8-21.2000116.4
514A42Very low41Very low103 Ų103146.8 Ų146.885%0.85179%0.788SS**  trans103.6145.114500000120.7
515G38.4Very low41.1Very low76 Ų76149.5 Ų149.578%0.78479%0.788SS**  trans93.894.1154.800000118.9
516P45.1Very low41.2Very low111 Ų111146.8 Ų146.872%0.72179%0.792SS**  trans-111.3164174.739.7-32.1000115.1
517R34.1Very low41.3Very low246 Ų246141.8 Ų141.893%0.92879%0.789SS**  trans75.1143.5175.5-48.5173.4-178.2177.9-0.6113
518S36.5Very low41.4Very low109 Ų109142.6 Ų142.676%0.76279%0.789SS**  cis-152.4-17827.2-153.20000114.3
519E30.6Very low41.5Very low159 Ų159146 Ų14674%0.74380%0.796SS**  trans2.3161.3163-67.4-164.7140.700124.9
520R31.3Very low41.6Very low236 Ų236141.4 Ų141.489%0.89180%0.796SS**  trans91122.5145.6-163.3177.8-64.9-155.7-1.1117.3
521G36.8Very low41.4Very low77 Ų77133.7 Ų133.779%0.79479%0.79SS**  trans171.574.5177.300000115.1
522E36Very low41.4Very low181 Ų181139.2 Ų139.285%0.84680%0.8SS**  trans-70.5177.2158.8-115.4-160.5114.600111
523P48.7Very low40.8Very low103 Ų103138.5 Ų138.567%0.66980%0.797SS**  cis-134.4174.8-6.837.1-18.9000115.4
524P41.6Very low40.6Very low106 Ų106138.3 Ų138.369%0.68880%0.799SS**  trans-98.6141.6167.735.8-31000113.7
525K38.9Very low40.6Very low198 Ų198139.8 Ų139.886%0.86180%0.799SS**  trans-171.9152.8160.7-110144.7-171.1168.40117.1
526S41.3Very low40.6Very low128 Ų128139.6 Ų139.690%0.89580%0.797SS**  trans69144.2163.567.60000119.2
527G40.8Very low40.8Very low75 Ų75140 Ų14077%0.77380%0.803SS**  trans168.7-22.6176.800000119.2
528D41.5Very low41.7Very low142 Ų142134.6 Ų134.676%0.75980%0.8SS**  trans44.999.8162.5-92.928000121.3
529R44.3Very low41.9Very low232 Ų232132.8 Ų132.888%0.87580%0.798SS**  176.2151.5101.7-93.4163.3-173.2-156.8-1.1115.8
530S44.1Very low42.5Very low119 Ų119131.9 Ų131.983%0.83280%0.804SS**  trans-51.7162.1174.251.90000115.7
531G41.9Very low43.4Very low74 Ų74126.6 Ų126.676%0.76380%0.8SS**  cis170.3173.76.800000108.4
532Y48.2Very low43.6Very low218 Ų218126.4 Ų126.486%0.85580%0.798SS**  cis-155137.418.2-156.3-105.4000111.4
533S43.7Very low44Very low98 Ų98124.1 Ų124.169%0.68580%0.802SS**  trans48.8111.8155.9-560000122.5
534S45.9Very low43.9Very low114 Ų114131.2 Ų131.280%0.79782%0.816SS**  trans-75.3160167-50.30000114.1
535P43.3Very low44.3Very low133 Ų133132.1 Ų132.186%0.86482%0.824SS**  trans-75.5156.416733.3-35.8000112.2
536G38.6Very low44.8Very low72 Ų72133.4 Ų133.474%0.74282%0.824SS**  trans-149.6141.6-18000000114.5
537S48.5Very low44.9Very low120 Ų120133.5 Ų133.584%0.83982%0.819SS**  trans-174.4164.3177-72.90000108.9
538P52.4Low45.5Very low133 Ų133135.4 Ų135.486%0.86482%0.818SS**  -120.2-176.5-50.938.5-25.5000111.1
539G41.4Very low45.8Very low71 Ų71134.3 Ų134.373%0.73282%0.821SS**  trans-154.8155.4177.900000115.1
540T42.5Very low46.3Very low140 Ų140130.2 Ų130.286%0.85982%0.816SS**  trans-145.3-170.2-174.453.30000109.8
541P51.3Low46.6Very low125 Ų125130.6 Ų130.681%0.81282%0.816SS**  -124.8175.9-67.938-24.1000113.2
542G41.4Very low47.1Very low73 Ų73132.6 Ų132.675%0.75381%0.814SS**  trans144.4156.4146.700000120.6
543S44.2Very low47.7Very low133 Ų133127.6 Ų127.693%0.9381%0.808SS**  trans77.2154.3161.7-65.70000120.7
544R45.4Very low48.5Very low251 Ų251128.8 Ų128.895%0.94781%0.813SS**  trans-124.5148.2-163.2-64.9166.2162170.3-7.8112.8
545S51.4Low48.4Very low125 Ų125129.9 Ų129.987%0.87482%0.815SS**  trans-152.1175.4148.461.10000109.9
546R48.9Very low48.7Very low225 Ų225133.9 Ų133.985%0.84981%0.813SS**  trans-133.9135.9-159.6-48.3173.5-177.6167-1.1114.3
547T44.1Very low49.6Very low131 Ų131135.8 Ų135.880%0.80480%0.802SS**  trans57.7168140.652.40000120.5
548P52.6Low50Low114 Ų114135.3 Ų135.374%0.7480%0.797SS**  cis-131.1-170.4-15.626.8-2.9000114.8
549S47.6Very low49.9Very low119 Ų119137.4 Ų137.483%0.83279%0.792SS**  trans102.2141.1149.9-510000120.1
550L54.6Low50.5Low146 Ų146143.2 Ų143.276%0.76480%0.797SS**  trans-113.9173.8-178.8-141.378.6000109.6
551P51.4Low51Low127 Ų127142.9 Ų142.983%0.82580%0.795SS**  -147.1166.867.735.9-14.2000118.2
552T52.3Low51.1Low117 Ų117141.8 Ų141.872%0.71880%0.797SS**  trans-82-171.5168.29.80000112
553P61Low51.8Low113 Ų113144 Ų14473%0.73480%0.795SS**  cis-138.3-143.516.546.4-24.5000112.5
554P58.7Low52.8Low122 Ų122144.4 Ų144.479%0.79279%0.792SS**  cis-131-178.3-18.538.5-19.3000116.7
555T45Very low53.3Low138 Ų138143.4 Ų143.485%0.84779%0.788SS**  trans-121.5150.8-170.9-52.10000114
556R49.7Very low53.4Low216 Ų216144 Ų14482%0.81579%0.786SS**  trans-163.5155.2155-93.7-178.5-175-116.87.8110.4
557E57Low54.1Low112 Ų112138.7 Ų138.752%0.52378%0.781SS.*  cis-163.9161.6-31.765-179.3101.300110.9K559E557-K559 IonicContact OE2-NZ 3.14Å; E557-K559 PolarHBondContact OE2-NZ 2.68Å; E557-K559 VanDerWaalsContact OE2-NZ 3.14Å
558P58.1Low54.9Low111 Ų111138.3 Ų138.372%0.72178%0.781SS**  trans-118.6160-174.240.7-31.6000116.2
559K50.4Low55Low176 Ų176142.9 Ų142.977%0.76579%0.789SS**  trans-166.6149.9162.6-98.8127.1-159.7166.70117.2E557E557-K559 IonicContact OE2-NZ 3.14Å; E557-K559 PolarHBondContact OE2-NZ 2.68Å; E557-K559 VanDerWaalsContact OE2-NZ 3.14Å
560K53.3Low56.1Low193 Ų193142.6 Ų142.684%0.83979%0.787SS**  trans73.378.3153.1-70.8-173.5174.7-1750122.9
561V52.3Low56.9Low134 Ų134141.8 Ų141.881%0.81279%0.791SS**  27.7127115.3-172.80000120.3V563V561-V563 HydrophobicContact CG1-CG2 4.09Å
562A53.6Low57.4Low102 Ų102141.8 Ų141.884%0.84379%0.794SS**  trans-137.4150.2146.700000109.5
563V56.6Low58Low119 Ų119141.4 Ų141.472%0.72180%0.796SS**  trans-115.3122.4-169.8176.30000112V561V561-V563 HydrophobicContact CG1-CG2 4.09Å
564V65Low58.1Low142 Ų142140.6 Ų140.686%0.86180%0.799SS**  trans-139.5146168.4-175.30000109.3
565R56.1Low58.1Low230 Ų230145.1 Ų145.187%0.86881%0.806SS**  trans-89.6164.7-177.5-75.2174.1154.4102.5-6.1112.6
566T52.7Low59.1Low137 Ų137143.6 Ų143.684%0.8480%0.801SS**  trans-81.4156.5-163.845.10000115.8
567P63.2Low59.4Low113 Ų113144.7 Ų144.773%0.73481%0.805SS**  -119.6161.3121.5-3.724000112.8
568P61Low59.5Low124 Ų124147 Ų14781%0.80582%0.82SS**  trans-74.2152.1178.431.4-35.1000112.8
569K55.8Low59.8Low209 Ų209150.5 Ų150.591%0.90983%0.827SS**  trans-84.2144.9177.4-69.7-179.5178.2177.70111.8
570S70.3Confident60.2Low113 Ų113149.2 Ų149.279%0.7983%0.834SS**  trans-143.6142.3162.7-68.30000108.6S572S570-S572 PolarHBondContact O-N 3.35Å
571P72.4Confident60.7Low130 Ų130144.4 Ų144.484%0.84483%0.831SS**PPolyproline II helixtrans-74.3123-175.728.9-33.4000111.3
572S60.3Low61.1Low127 Ų127143.5 Ų143.589%0.88883%0.828SS**PPolyproline II helixtrans-76.5134.2173-168.80000110.6S570S570-S572 PolarHBondContact O-N 3.35Å
573S65.3Low61.9Low108 Ų108144.6 Ų144.676%0.75582%0.823SS**PPolyproline II helixtrans-95.3126.5-170.5-174.50000112.6
574A63.5Low62.8Low97 Ų97144.5 Ų144.580%0.80283%0.825SS**PPolyproline II helixtrans-80.6117177.200000111.6S576A574-S576 PolarHBondContact O-N 3.18Å
575K57.7Low63.5Low216 Ų216146.2 Ų146.294%0.93983%0.826SS**  trans-81.196.1174.8-70.4175.1-179.6171.20110.7
576S66.8Low64.8Low107 Ų107140.6 Ų140.675%0.74882%0.819SS**  trans-110.8129.9161.3-172.60000109.7A574A574-S576 PolarHBondContact O-N 3.18Å
577R56.4Low66.2Low238 Ų238139.3 Ų139.390%0.89881%0.807SS**  trans-133.689.9-178.1-175.1-173-176.4-172.82.2109.4
578L58.2Low67.3Low161 Ų161140.1 Ų140.184%0.84380%0.804SS**  trans-111.2160.4166.9-74.5171.1000110.4
579Q64Low68.3Low184 Ų184142.4 Ų142.486%0.8680%0.802SS**  trans-108.6144.2-153.2-59.5170.7-2.800111.8
580T60.2Low69.7Low149 Ų149139.1 Ų139.191%0.91479%0.794SS**  trans-128.3112.1175.5-50.40000110.4
581A63.1Low70.4Confident93 Ų93139.4 Ų139.477%0.76979%0.791SS**  trans-159153.8173.400000106.6
582P62.1Low71Confident115 Ų115141.9 Ų141.975%0.74779%0.788SS**SBendcis-124.7149.525.138.1-23.8000116.3
583V68.7Low72.2Confident125 Ų125139.4 Ų139.476%0.75877%0.771SS**  trans58.2120.3155.3-178.10000117.8
584P76.9Confident73.2Confident116 Ų116144.8 Ų144.875%0.75378%0.781SS**PPolyproline II helixtrans-67.3144.4168.930.7-34.6000110.8
585M79.5Confident74Confident179 Ų179145.6 Ų145.688%0.88277%0.77SS**PPolyproline II helixtrans-56.5134.8178.1-68.5-163.8-62.200111.4
586P82.3Confident75Confident111 Ų111137 Ų13772%0.72174%0.743SS**PPolyproline II helixtrans-66138.4-179.227.4-34.7000111.3
587D82.6Confident75.5Confident110 Ų110133.3 Ų133.359%0.58872%0.717SS**PPolyproline II helixtrans-89.5119.9-164.9-160.640.9000113.9K589D587-K589 WeakPolarHBondContact OD1-CE 3.43Å; D587-K589 WeakPolarHBondContact OD1-CG 3.36Å; D587-K589 IonicContact OD1-NZ 3.54Å
588L85.7Confident76.6Confident130 Ų130126.3 Ų126.368%0.68170%0.701SS**  trans-108.66.8-172-62.1-179.5000114.6N590 V591L588-N590 PolarHBondContact O-N 3.05Å; L588-V591 HydrophobicContact CB-CG2 4.46Å; L588-V591 WeakPolarHBondContact O-CG2 3.45Å; L588-V591 PolarHBondContact O-N 3.07Å
589K83.3Confident77.8Confident173 Ų173125.5 Ų125.575%0.75269%0.693SS**THydrogen-bonded Turntrans-63.9-12.4-168.8-48.4-174.7-156-162.70115D587D587-K589 WeakPolarHBondContact OD1-CE 3.43Å; D587-K589 WeakPolarHBondContact OD1-CG 3.36Å; D587-K589 IonicContact OD1-NZ 3.54Å
590N84.2Confident78.7Confident139 Ų139118.2 Ų118.274%0.74366%0.66SS**THydrogen-bonded Turntrans-111.412.9-174-66-58.8000114.2L588 K592L588-N590 PolarHBondContact O-N 3.05Å; N590-K592 PolarHBondContact O-N 3.07Å
591V86.1Confident79.8Confident119 Ų119118.1 Ų118.172%0.72165%0.653SS**  trans-68.5113.1174.3177.40000110L588L588-V591 HydrophobicContact CB-CG2 4.46Å; L588-V591 WeakPolarHBondContact O-CG2 3.45Å; L588-V591 PolarHBondContact O-N 3.07Å
592K84Confident80.9Confident183 Ų183123.2 Ų123.280%0.79666%0.658SS**  trans-94.9157.2178.4-63.3-176.7-177.9-179.80112N590N590-K592 PolarHBondContact O-N 3.07Å
593S85.6Confident82Confident74 Ų74122.3 Ų122.352%0.51764%0.643SS.*  trans-62.8140.8174.348.20000112.1I595S593-I595 PolarHBondContact O-N 3.29Å
594K85.5Confident82.6Confident221 Ų221124.7 Ų124.796%0.96165%0.646SS**SBendtrans-82.19.1168.5-62.1-176.1179.9-179.70113.2
595I82Confident82.9Confident115 Ų115124.4 Ų124.459%0.5964%0.644SS**  trans-108.2123.1-177.8-61172.6000107.4S593 S597S593-I595 PolarHBondContact O-N 3.29Å; I595-S597 VanDerWaalsContact C-N 3.31Å; I595-S597 WeakPolarHBondContact CG2-OG 3.07Å; I595-S597 PolarHBondContact O-N 3.1Å
596G78.8Confident83.3Confident35 Ų35119.7 Ų119.736%0.36164%0.642SS.*G310 helixtrans-70.5-16.8-170.600000115.6T598 E599G596-T598 PolarHBondContact O-N 2.66Å; G596-E599 WeakPolarHBondContact O-CB 3.09Å; G596-E599 WeakPolarHBondContact O-CG 3.24Å; G596-E599 PolarHBondContact O-N 2.76Å
597S76.4Confident83.5Confident30 Ų30118.4 Ų118.421%0.2165%0.648CS.*G310 helixtrans-53.1-19.6-169.6-41.20000115.6P477 I595 E599 N600P477-S597 PolarHBondContact O-OG 2.66Å; I595-S597 VanDerWaalsContact C-N 3.31Å; I595-S597 WeakPolarHBondContact CG2-OG 3.07Å; I595-S597 PolarHBondContact O-N 3.1Å; S597-E599 VanDerWaalsContact C-N 3.28Å; S597-E599 PolarHBondContact O-N 2.86Å; S597-N600 PolarHBondContact O-N 3.34Å
598T80.5Confident83.6Confident91 Ų91116.8 Ų116.856%0.55866%0.658SS**G310 helixtrans-63.2-24.3169.249.70000114.9G596 N600 L601G596-T598 PolarHBondContact O-N 2.66Å; T598-N600 VanDerWaalsContact C-N 3.32Å; T598-L601 WeakPolarHBondContact O-CD1 3.41Å; T598-L601 WeakPolarHBondContact O-CG 3.37Å
599E82.8Confident83.4Confident143 Ų143120.9 Ų120.967%0.66867%0.67SS**SBendtrans-74.3-27175.278.5-153.1143.100111.9G596 S597G596-E599 WeakPolarHBondContact O-CB 3.09Å; G596-E599 WeakPolarHBondContact O-CG 3.24Å; G596-E599 PolarHBondContact O-N 2.76Å; S597-E599 VanDerWaalsContact C-N 3.28Å; S597-E599 PolarHBondContact O-N 2.86Å
600N83.2Confident83.3Confident32 Ų32119.3 Ų119.317%0.17168%0.675CS.*G310 helixtrans-90.31.1-173.3-73.9-61000114.2A475 S597 T598 K602 H603A475-N600 VanDerWaalsContact CA-CG 3.41Å; A475-N600 WeakPolarHBondContact CA-ND2 3.07Å; A475-N600 WeakPolarHBondContact CA-OD1 3.45Å; A475-N600 PolarHBondContact N-OD1 2.89Å; A475-N600 PolarHBondContact O-ND2 2.83Å; A475-N600 VanDerWaalsContact O-ND2 3.11Å; S597-N600 PolarHBondContact O-N 3.34Å; T598-N600 VanDerWaalsContact C-N 3.32Å; N600-K602 PolarHBondContact O-N 3.08Å; N600-H603 PolarHBondContact O-N 3.05Å
601L83.5Confident83.3Confident146 Ų146120.9 Ų120.976%0.76468%0.678SS**G310 helixtrans-58.8-17.4177.5-63.1174000114.1T598T598-L601 WeakPolarHBondContact O-CD1 3.41Å; T598-L601 WeakPolarHBondContact O-CG 3.37Å
602K85.9Confident83.1Confident201 Ų201122 Ų12287%0.87468%0.678SS**G310 helixtrans-99.1-4.2176.9-61.2-174.8-179.9-176.20113.7N600 Q604N600-K602 PolarHBondContact O-N 3.08Å; K602-Q604 PolarHBondContact O-N 3.4Å
603H83.8Confident83.1Confident95 Ų95119.8 Ų119.844%0.4467%0.674SS.*  trans-85.592179.3-177.266.9000110.7A474 N600A474-H603 VanDerWaalsContact CB-CE1 3.45Å; A474-H603 WeakPolarHBondContact CB-CE1 3.21Å; A474-H603 WeakPolarHBondContact CB-NE2 3.47Å; N600-H603 PolarHBondContact O-N 3.05Å
604Q83.1Confident82.9Confident175 Ų175123.3 Ų123.382%0.81869%0.686SS**PPolyproline II helixtrans-80.8135.5154.7-68.7-178.9-7.700108.4K602 G606K602-Q604 PolarHBondContact O-N 3.4Å; Q604-G606 PolarHBondContact O-N 2.83Å
605P83.1Confident82.9Confident110 Ų110121.4 Ų121.471%0.71468%0.678SS**PPolyproline II helixtrans-66.9130.5172.428.6-33.4000109.3G607P605-G607 PolarHBondContact O-N 2.95Å
606G86.3Confident83Confident81 Ų81126.1 Ų126.184%0.83569%0.694SS**PPolyproline II helixtrans-67.2123.7178.700000111.5Q604Q604-G606 PolarHBondContact O-N 2.83Å
607G86.5Confident83.2Confident83 Ų83131.4 Ų131.486%0.85671%0.714SS**PPolyproline II helixtrans-79.6168.1164.400000111.7P605P605-G607 PolarHBondContact O-N 2.95Å
608G86.1Confident83.4Confident76 Ų76136.1 Ų136.178%0.78474%0.737SS**  trans-130.7143.3169.900000110.5
609K81.4Confident83.5Confident217 Ų217137.8 Ų137.894%0.94374%0.741SS**  trans-91.8133.9168.1-71.4-170.2175.7-172.10109
610V81.4Confident83.5Confident139 Ų139134.8 Ų134.884%0.84274%0.736SS**  trans-128.1129.5170.2178.40000106.9
611Q83.1Confident83.5Confident173 Ų173136.8 Ų136.881%0.80875%0.747SS**  trans-122.5132177.8-173.1174.57.200108.5
612I82.8Confident83.5Confident142 Ų142134.8 Ų134.873%0.72874%0.741SS**  trans-99.4123.9178.9-58.3176.6000107.7
613I82.8Confident83.3Confident137 Ų137128.1 Ų128.170%0.70371%0.712SS**  trans-99.3103.8-178.8-57.8175.1000108.6K615I613-K615 HydrophobicContact CG2-CG 4.44Å; I613-K615 PolarHBondContact O-N 3.17Å
614N81.9Confident83.4Confident147 Ų147124.6 Ų124.679%0.78670%0.699SS**  trans-83.3102.7174.8-71.6-2.4000110.2
615K85.7Confident83.5Confident182 Ų182124.5 Ų124.579%0.79170%0.696SS**PPolyproline II helixtrans-91.8121.7160.5-68.4-170.8176-171.90108.3I613I613-K615 HydrophobicContact CG2-CG 4.44Å; I613-K615 PolarHBondContact O-N 3.17Å
616K83.7Confident83.2Confident213 Ų213122 Ų12293%0.92668%0.68SS**PPolyproline II helixtrans-67.7131168.3-63.9-176.5179.6-1770107.9
617L82.5Confident82.9Confident147 Ų147120 Ų12077%0.7766%0.66SS**PPolyproline II helixtrans-84.8140.3163.9-61.5179.3000107.6
618D82.3Confident82.4Confident129 Ų129119.5 Ų119.569%0.6964%0.643SS**PPolyproline II helixtrans-80.5136.1167.9-158.2-19.5000109.2S620D618-S620 VanDerWaalsContact OD1-CB 3.32Å; D618-S620 WeakPolarHBondContact OD1-CB 3.17Å; D618-S620 PolarHBondContact OD1-N 3.49Å; D618-S620 PolarHBondContact OD1-OG 3.08Å
619L82.6Confident82Confident125 Ų125118.8 Ų118.865%0.65462%0.618SS**  trans-138.411-178.5-63.2174.7000111.2N621 V622L619-N621 PolarHBondContact O-N 3.43Å; L619-V622 HydrophobicContact CB-CG2 4.35Å; L619-V622 HydrophobicContact CD2-CG2 4.34Å; L619-V622 WeakPolarHBondContact O-CG2 3.01Å; L619-V622 PolarHBondContact O-N 3.08Å
620S81.1Confident82.1Confident80 Ų80115.2 Ų115.256%0.55961%0.609SS**THydrogen-bonded Turntrans-54.4-40.9177.746.80000112.5D618 V622D618-S620 VanDerWaalsContact OD1-CB 3.32Å; D618-S620 WeakPolarHBondContact OD1-CB 3.17Å; D618-S620 PolarHBondContact OD1-N 3.49Å; D618-S620 PolarHBondContact OD1-OG 3.08Å; S620-V622 VanDerWaalsContact C-N 3.26Å; S620-V622 PolarHBondContact O-N 3.03Å; S620-V622 VanDerWaalsContact O-N 3.16Å
621N83.2Confident82Confident74 Ų74113.7 Ų113.740%0.39660%0.597SS.*THydrogen-bonded Turntrans-89.338-174.6-55.4-13.7000112.8E278 I279 L619E278-N621 HydrophobicContact CG-CB 4.18Å; E278-N621 VanDerWaalsContact OE1-CB 3.27Å; E278-N621 WeakPolarHBondContact OE1-CB 3.09Å; E278-N621 PolarHBondContact OE1-ND2 2.67Å; E278-N621 PolarHBondContact OE2-ND2 3.48Å; I279-N621 WeakPolarHBondContact CD1-O 3.14Å; I279-N621 HydrophobicContact CG2-CB 4.42Å; L619-N621 PolarHBondContact O-N 3.43Å
622V83.4Confident82Confident105 Ų105110.4 Ų110.464%0.63658%0.583SS**  trans-109.7106.1179.1-178.80000110.9L619 S620L619-V622 HydrophobicContact CB-CG2 4.35Å; L619-V622 HydrophobicContact CD2-CG2 4.34Å; L619-V622 WeakPolarHBondContact O-CG2 3.01Å; L619-V622 PolarHBondContact O-N 3.08Å; S620-V622 VanDerWaalsContact C-N 3.26Å; S620-V622 PolarHBondContact O-N 3.03Å; S620-V622 VanDerWaalsContact O-N 3.16Å
623Q83.3Confident82.2Confident60 Ų60113.4 Ų113.428%0.2859%0.591SS.*  trans-102.3129.8-177.2150.8165.434.100111.6I279 P280 A281I279-Q623 HydrophobicContact CG2-CB 3.58Å; P280-Q623 VanDerWaalsContact C-CD 3.44Å; P280-Q623 PolarHBondContact O-NE2 3.24Å; A281-Q623 HydrophobicContact CB-CB 4.15Å; A281-Q623 HydrophobicContact CB-CG 3.48Å; A281-Q623 VanDerWaalsContact CB-CG 3.48Å
624S84.3Confident82.3Confident22 Ų22112.1 Ų112.115%0.15458%0.582CS.*  trans-62.1161.6169.6114.40000110.9S282 E283 C626S282-S624 WeakPolarHBondContact O-CB 3.48Å; S282-S624 PolarHBondContact O-OG 2.99Å; E283-S624 PolarHBondContact O-OG 3.07Å; E283-S624 VanDerWaalsContact O-OG 3.07Å; S624-C626 PolarHBondContact OG-N 3.16Å
625K85Confident82.3Confident173 Ų173111.2 Ų111.275%0.75258%0.582SS**  trans-117.520.4177.6-57.4-64.1168.2-175.20112.5
626C78.5Confident82.1Confident58 Ų58107.2 Ų107.239%0.39257%0.574SS.*  trans-100104174.8-175.10000109.5P284 S624 S628P284-C626 VanDerWaalsContact CD-SG 3.58Å; P284-C626 HydrophobicContact CG-CB 4.26Å; S624-C626 PolarHBondContact OG-N 3.16Å; C626-S628 PolarHBondContact O-N 3.36Å
627G79.3Confident82.1Confident39 Ų39101 Ų10140%0.40257%0.571SS.*  trans-69.734.1-178.800000115K629 D630G627-K629 PolarHBondContact O-N 2.98Å; G627-K629 VanDerWaalsContact O-N 3.12Å; G627-D630 VanDerWaalsContact CA-OD2 3.26Å; G627-D630 WeakPolarHBondContact CA-OD2 3.43Å; G627-D630 VanDerWaalsContact O-CB 3.3Å; G627-D630 WeakPolarHBondContact O-CB 3.44Å; G627-D630 PolarHBondContact O-N 2.88Å
628S75.5Confident82Confident71 Ų7197.1 Ų97.150%0.49757%0.566SS.*THydrogen-bonded Turntrans-60.6-23.1-176.863.30000113.4C626C626-S628 PolarHBondContact O-N 3.36Å
629K78.8Confident81.7Confident61 Ų6194.7 Ų94.727%0.26557%0.571SS.*THydrogen-bonded Turntrans-89.2-10.8178.1-62-153.1175.5-170.90114.3E7 G627 N631 I632E7-K629 WeakPolarHBondContact OE2-CE 3.37Å; E7-K629 IonicContact OE2-NZ 3.39Å; E7-K629 PolarHBondContact OE2-NZ 3.22Å; G627-K629 PolarHBondContact O-N 2.98Å; G627-K629 VanDerWaalsContact O-N 3.12Å; K629-N631 PolarHBondContact O-N 2.98Å; K629-N631 VanDerWaalsContact O-N 3.17Å; K629-I632 HydrophobicContact CB-CD1 3.66Å; K629-I632 HydrophobicContact CB-CG1 4.44Å; K629-I632 HydrophobicContact CD-CD1 4.05Å; K629-I632 HydrophobicContact CG-CD1 3.84Å; K629-I632 WeakPolarHBondContact O-CG1 3.18Å; K629-I632 PolarHBondContact O-N 3.5Å
630D82Confident81.2Confident142 Ų14294.9 Ų94.976%0.75958%0.583SS**THydrogen-bonded Turntrans-64.8-27-170.4-59.7-3.4000112.2G627G627-D630 VanDerWaalsContact CA-OD2 3.26Å; G627-D630 WeakPolarHBondContact CA-OD2 3.43Å; G627-D630 VanDerWaalsContact O-CB 3.3Å; G627-D630 WeakPolarHBondContact O-CB 3.44Å; G627-D630 PolarHBondContact O-N 2.88Å
631N79.5Confident81.1Confident108 Ų10896.6 Ų96.658%0.57859%0.59SS**THydrogen-bonded Turntrans-112.117.3-175.6-152.334.5000114.8K629 K633 H634K629-N631 PolarHBondContact O-N 2.98Å; K629-N631 VanDerWaalsContact O-N 3.17Å; N631-K633 PolarHBondContact O-N 3.41Å; N631-K633 VanDerWaalsContact O-N 3.07Å; N631-H634 WeakPolarHBondContact ND2-CB 3.32Å; N631-H634 WeakPolarHBondContact O-CB 3.4Å; N631-H634 PolarHBondContact O-N 3.22Å; N631-H634 VanDerWaalsContact OD1-CB 3.3Å; N631-H634 WeakPolarHBondContact OD1-CB 3.48Å
632I83.4Confident81Confident104 Ų10498.1 Ų98.153%0.53360%0.595SS.*THydrogen-bonded Turntrans-56.8-27.1-179.7-70.8169.3000112.7K629 H634K629-I632 HydrophobicContact CB-CD1 3.66Å; K629-I632 HydrophobicContact CB-CG1 4.44Å; K629-I632 HydrophobicContact CD-CD1 4.05Å; K629-I632 HydrophobicContact CG-CD1 3.84Å; K629-I632 WeakPolarHBondContact O-CG1 3.18Å; K629-I632 PolarHBondContact O-N 3.5Å; I632-H634 VanDerWaalsContact C-N 3.28Å; I632-H634 PolarHBondContact O-N 3.03Å
633K86.7Confident80.9Confident204 Ų20496.7 Ų96.789%0.88758%0.583SS**THydrogen-bonded Turntrans-79.6-4.1-179.8-60.9-178.3-178.5179.20114.1N631 V635N631-K633 PolarHBondContact O-N 3.41Å; N631-K633 VanDerWaalsContact O-N 3.07Å; K633-V635 PolarHBondContact O-N 2.84Å
634H85.3Confident80.9Confident111 Ų11196.5 Ų96.551%0.51459%0.585SS.*  trans-83.499.5179.5178.979.4000111N631 I632 P636N631-H634 WeakPolarHBondContact ND2-CB 3.32Å; N631-H634 WeakPolarHBondContact O-CB 3.4Å; N631-H634 PolarHBondContact O-N 3.22Å; N631-H634 VanDerWaalsContact OD1-CB 3.3Å; N631-H634 WeakPolarHBondContact OD1-CB 3.48Å; I632-H634 VanDerWaalsContact C-N 3.28Å; I632-H634 PolarHBondContact O-N 3.03Å; H634-P636 WeakPolarHBondContact O-CD 3.47Å
635V82.4Confident80.9Confident128 Ų128102.9 Ų102.978%0.77661%0.607SS**  trans-69.1119.6156.1-1780000106.9K633 G637K633-V635 PolarHBondContact O-N 2.84Å; V635-G637 PolarHBondContact O-N 3.33Å
636P82Confident80.9Confident97 Ų9798.2 Ų98.263%0.6359%0.587SS**  trans-65.4130.2177.227.3-33.6000109.8H634 G638H634-P636 WeakPolarHBondContact O-CD 3.47Å; P636-G638 PolarHBondContact O-N 3.45Å; P636-G638 VanDerWaalsContact O-N 3.07Å
637G82.6Confident81.2Confident84 Ų8499.2 Ų99.287%0.86659%0.593SS**  trans-65.9107-178.400000111.9V635V635-G637 PolarHBondContact O-N 3.33Å
638G81Confident81.4Confident65 Ų65103.5 Ų103.567%0.6761%0.611SS**  trans-95.8147.9168.200000111.2P636 S640P636-G638 PolarHBondContact O-N 3.45Å; P636-G638 VanDerWaalsContact O-N 3.07Å; G638-S640 PolarHBondContact O-N 3.11Å
639G76.5Confident81.7Confident77 Ų77105.6 Ų105.679%0.79462%0.616SS**  trans-71.2117.3-17900000112.7V641G639-V641 PolarHBondContact O-N 2.97Å
640S70.6Confident81.9Confident130 Ų130108.7 Ų108.791%0.90964%0.635SS**  trans-7195.2173.2-56.30000110.9G638G638-S640 PolarHBondContact O-N 3.11Å
641V79.4Confident81.6Confident116 Ų116105.8 Ų105.870%0.70363%0.626SS**  trans-99.7118.7168.5-177.60000108.9S355 G639S355-V641 PolarHBondContact OG-O 3.17Å; G639-V641 PolarHBondContact O-N 2.97Å
642Q81.7Confident81.4Confident106 Ų106109.7 Ų109.750%0.49564%0.638SS.*  trans-91.3115.5177.9-177.8173.3-2.600109.7P352 E353P352-Q642 PolarHBondContact O-NE2 3.1Å; E353-Q642 VanDerWaalsContact CA-NE2 3.33Å; E353-Q642 VanDerWaalsContact O-CG 3.22Å; E353-Q642 WeakPolarHBondContact O-CG 3.34Å; E353-Q642 PolarHBondContact O-NE2 3.32Å
643I80.9Confident81.2Confident74 Ų74110.6 Ų110.638%0.37965%0.648SS.*  trans-87.3139168.2-61.9179.7000108.1P354 S355 E356P354-I643 CarbonylContact C-O 3.5Å; P354-I643 VanDerWaalsContact CA-O 3.31Å; P354-I643 WeakPolarHBondContact CA-O 3.5Å; P354-I643 VanDerWaalsContact O-O 3.13Å; S355-I643 WeakPolarHBondContact OG-CG1 3.39Å; S355-I643 PolarHBondContact OG-N 3.11Å; E356-I643 HydrophobicContact CB-CD1 4.21Å; E356-I643 HydrophobicContact CG-CD1 3.8Å
644V83Confident80.6Confident56 Ų56106.7 Ų106.734%0.33964%0.641SS.*  trans-109.3129.7-176.8-1230000108.1E53E53-V644 HydrophobicContact CB-CB 3.84Å; E53-V644 HydrophobicContact CB-CG1 4.27Å
645Y84.6Confident80.1Confident156 Ų156106.3 Ų106.361%0.61265%0.651SS**  trans-138117.7-172.4157.7-105.2000112.8T52 E53T52-Y645 WeakPolarHBondContact CB-O 3.12Å; T52-Y645 WeakPolarHBondContact CG2-O 3.41Å; E53-Y645 VanDerWaalsContact CB-N 3.31Å; E53-Y645 WeakPolarHBondContact OE1-CA 3.29Å
646K86.2Confident79.8Confident75 Ų75110.3 Ų110.333%0.32666%0.658SS.*PPolyproline II helixtrans-100.4129.8175.3-85177.4-110.3-71.20110.8T52 E53 D54T52-K646 VanDerWaalsContact C-CG 3.43Å; T52-K646 WeakPolarHBondContact O-CG 3.2Å; T52-K646 PolarHBondContact O-NZ 3.01Å; T52-K646 WeakPolarHBondContact OG1-CG 3.27Å; E53-K646 HydrophobicContact CB-CB 4.15Å; E53-K646 HydrophobicContact CB-CG 3.81Å; E53-K646 HydrophobicContact CG-CB 3.61Å; E53-K646 HydrophobicContact CG-CD 3.87Å; E53-K646 HydrophobicContact CG-CG 3.49Å; E53-K646 VanDerWaalsContact CG-CG 3.49Å; E53-K646 PolarHBondContact O-NZ 3.05Å; E53-K646 PolarHBondContact OE1-N 3.32Å; D54-K646 VanDerWaalsContact CG-NZ 3.26Å; D54-K646 WeakPolarHBondContact OD1-CE 3.38Å; D54-K646 IonicContact OD1-NZ 2.71Å; D54-K646 PolarHBondContact OD1-NZ 3.4Å; D54-K646 VanDerWaalsContact OD2-CE 3.25Å; D54-K646 WeakPolarHBondContact OD2-CE 3.43Å; D54-K646 IonicContact OD2-NZ 3.68Å; D54-K646 PolarHBondContact OD2-NZ 2.93Å
647P83.1Confident79.2Confident80 Ų80110.8 Ų110.852%0.51966%0.663SS.*PPolyproline II helixtrans-76.5134.1163.832.7-31000110.3T52T52-P647 WeakPolarHBondContact OG1-CD 2.94Å
648V84Confident78.3Confident128 Ų128109.6 Ų109.678%0.77665%0.65SS**PPolyproline II helixtrans-84.5119.4167.2177.90000108.8
649D82.9Confident77.7Confident115 Ų115108.7 Ų108.762%0.61563%0.633SS**PPolyproline II helixtrans-79.8131.1179.5179.434.8000112.9S651D649-S651 WeakPolarHBondContact OD1-CB 3.17Å; D649-S651 PolarHBondContact OD1-N 2.67Å; D649-S651 PolarHBondContact OD1-OG 3.23Å; D649-S651 VanDerWaalsContact OD2-CB 3.31Å; D649-S651 WeakPolarHBondContact OD2-CB 3.36Å; D649-S651 PolarHBondContact OD2-OG 2.76Å
650L82.3Confident77.2Confident126 Ų126108.2 Ų108.266%0.6661%0.613SS**  trans-118.113.6176.6-59.5178.5000112.9K652 V653L650-K652 PolarHBondContact O-N 3Å; L650-V653 WeakPolarHBondContact O-CG2 3.17Å; L650-V653 PolarHBondContact O-N 2.83Å
651S75.9Confident77.1Confident81 Ų81104 Ų10457%0.56659%0.589SS**THydrogen-bonded Turntrans-46.4-21.1-174.559.80000117.4D649D649-S651 WeakPolarHBondContact OD1-CB 3.17Å; D649-S651 PolarHBondContact OD1-N 2.67Å; D649-S651 PolarHBondContact OD1-OG 3.23Å; D649-S651 VanDerWaalsContact OD2-CB 3.31Å; D649-S651 WeakPolarHBondContact OD2-CB 3.36Å; D649-S651 PolarHBondContact OD2-OG 2.76Å
652K75.7Confident76.4Confident191 Ų191103.4 Ų103.483%0.8358%0.582SS**THydrogen-bonded Turntrans-87.5-4.7-177.4-66.7161.5-171.8162.10113.6L650L650-K652 PolarHBondContact O-N 3Å
653V77.6Confident75.8Confident122 Ų122103.7 Ų103.774%0.73959%0.586SS**  trans-82.9116176.4-178.80000110.1L650L650-V653 WeakPolarHBondContact O-CG2 3.17Å; L650-V653 PolarHBondContact O-N 2.83Å
654T75.7Confident75.5Confident122 Ų122107.7 Ų107.775%0.74860%0.602SS**  trans-115.3130.8177.349.20000111.6
655S75Confident75.2Confident103 Ų103112 Ų11272%0.7262%0.619SS**  trans-77.4140.8178.256.40000112.1
656K74.8Confident74.8Confident213 Ų213113.6 Ų113.693%0.92663%0.629SS**  trans-98.510.2175.4-64-170.3177.6-177.60114.6
657C70.7Confident74.1Confident107 Ų107115.2 Ų115.272%0.72365%0.647SS**  trans-76.3139.8173.7-170.30000110.1
658G63.7Low73.6Confident58 Ų58115.5 Ų115.560%0.59867%0.665SS**  trans-177.566.9-173.900000116.1
659S67.3Low73.1Confident46 Ų46113.5 Ų113.532%0.32267%0.669SS.*  trans-77146.7149.660.70000108.9E320 H321 L322E320-S659 WeakPolarHBondContact OE1-CB 3.32Å; E320-S659 PolarHBondContact OE1-OG 2.74Å; H321-S659 CarbonylContact C-O 3.56Å; H321-S659 WeakPolarHBondContact CA-O 3.25Å; H321-S659 WeakPolarHBondContact CB-O 3.32Å; L322-S659 PolarHBondContact N-O 3.09Å
660L65.9Low72.3Confident68 Ų68111.7 Ų111.736%0.35668%0.678SS.*  trans-136.487.9159-151.8-147.9000110.1H321 G323 I663H321-L660 HydrophobicContact CB-CD2 3.98Å; H321-L660 HydrophobicContact CB-CG 4.35Å; G323-L660 WeakPolarHBondContact O-CD1 3.26Å; L660-I663 HydrophobicContact CD1-CD1 3.88Å; L660-I663 HydrophobicContact CD2-CB 4.37Å; L660-I663 HydrophobicContact CD2-CD1 3.79Å; L660-I663 HydrophobicContact CD2-CG1 3.65Å; L660-I663 HydrophobicContact CD2-CG2 4.04Å
661G68.2Low71.4Confident40 Ų40111.3 Ų111.341%0.41267%0.673SS.*  trans-96.4-66.1174.700000112.4H321H321-G661 PolarHBondContact CD2-N 2.72Å
662N64.7Low71.1Confident104 Ų104112.4 Ų112.456%0.55668%0.676SS**  trans-108.823-142.8-56.4-52.7000117.1H321 H664H321-N662 PolarHBondContact CD2-N 2.87Å; H321-N662 WeakPolarHBondContact NE2-CB 3.33Å; H321-N662 PolarHBondContact NE2-N 3.47Å; H321-N662 PolarHBondContact NE2-ND2 3.28Å; N662-H664 PolarHBondContact O-N 2.74Å
663I69Low71.1Confident113 Ų113108.3 Ų108.358%0.57966%0.66SS**THydrogen-bonded Turntrans-59.9-5.5174.744.9175.9000115.3L660L660-I663 HydrophobicContact CD1-CD1 3.88Å; L660-I663 HydrophobicContact CD2-CB 4.37Å; L660-I663 HydrophobicContact CD2-CD1 3.79Å; L660-I663 HydrophobicContact CD2-CG1 3.65Å; L660-I663 HydrophobicContact CD2-CG2 4.04Å
664H75.9Confident70.7Confident157 Ų157108 Ų10873%0.72766%0.658SS**THydrogen-bonded Turntrans-100.77.6-173-56.9122.6000115.1N662N662-H664 PolarHBondContact O-N 2.74Å
665H76Confident70.4Confident147 Ų147106.7 Ų106.768%0.68164%0.642SS**  trans-71.2129.2174.7179.9-105000112.2
666K75.6Confident70.2Confident189 Ų189105.6 Ų105.682%0.82263%0.634SS**  trans-121.1113.2170.7-67.7-65.6-173.3-178.40109.3
667P71.5Confident70.3Confident110 Ų110101.5 Ų101.571%0.71462%0.619SS**  trans-71.4138.4177.329.1-33.5000111.1
668G73.6Confident70.2Confident86 Ų86104.7 Ų104.789%0.88762%0.62SS**  trans-99.9127.8176.300000112.7
669G73Confident70.7Confident85 Ų85107 Ų10788%0.87662%0.618SS**  trans177.5156.5175.700000111.8
670G66.5Low70.8Confident77 Ų77109.6 Ų109.679%0.79463%0.629SS**  trans134.1-0.4177.700000116.9V672G670-V672 PolarHBondContact O-N 2.79Å
671Q63.3Low71Confident119 Ų119112.4 Ų112.456%0.55664%0.638SS**  trans-78.121.6-171.7-153.397.457.800115.4G28G28-Q671 VanDerWaalsContact CA-O 3.32Å; G28-Q671 WeakPolarHBondContact CA-O 3.3Å; G28-Q671 PolarHBondContact N-O 2.66Å
672V70Confident71Confident104 Ų104118.1 Ų118.163%0.6365%0.651SS**  trans-140.4106.4-176-173.60000111G670G670-V672 PolarHBondContact O-N 2.79Å
673E74.3Confident71.1Confident105 Ų105120.4 Ų120.449%0.49166%0.664SS.*  trans-73161168.9179.8179.4148.300111.4K24 D25 Q26K24-E673 PolarHBondContact N-OE1 3.17Å; D25-E673 PolarHBondContact N-OE1 3.28Å; D25-E673 WeakPolarHBondContact O-CB 3.45Å; D25-E673 WeakPolarHBondContact O-CG 3.4Å; Q26-E673 WeakPolarHBondContact CA-O 3.46Å; Q26-E673 VanDerWaalsContact CG-O 3.29Å; Q26-E673 WeakPolarHBondContact CG-O 3.37Å; Q26-E673 PolarHBondContact N-O 3.29Å
674V69.8Low71.2Confident116 Ų116125.7 Ų125.770%0.70368%0.676SS**  trans-129.1125.9-176.8-179.80000112.7S676V674-S676 PolarHBondContact O-N 2.57Å; V674-S676 VanDerWaalsContact O-N 3.1Å
675K70.7Confident71.1Confident93 Ų93123.5 Ų123.540%0.40467%0.674SS.*  trans-73.988.8-177.6-124.1-171.4-172.5138.50113.7K24 D25K24-K675 HydrophobicContact CB-CD 4.26Å; K24-K675 HydrophobicContact CB-CG 3.52Å; K24-K675 HydrophobicContact CD-CB 4.47Å; K24-K675 HydrophobicContact CD-CD 4.19Å; K24-K675 HydrophobicContact CD-CG 3.7Å; K24-K675 VanDerWaalsContact CE-C 3.41Å; K24-K675 WeakPolarHBondContact CE-O 2.99Å; K24-K675 HydrophobicContact CG-CB 4.41Å; K24-K675 HydrophobicContact CG-CG 3.67Å; K24-K675 WeakPolarHBondContact O-CE 3.41Å; D25-K675 HydrophobicContact CB-CD 3.87Å; D25-K675 HydrophobicContact CB-CG 3.77Å; D25-K675 VanDerWaalsContact CG-CE 3.42Å; D25-K675 VanDerWaalsContact CG-CG 3.42Å; D25-K675 VanDerWaalsContact CG-NZ 3.27Å; D25-K675 WeakPolarHBondContact OD1-CB 3.44Å; D25-K675 VanDerWaalsContact OD1-CD 3.26Å; D25-K675 WeakPolarHBondContact OD1-CD 3.36Å; D25-K675 WeakPolarHBondContact OD1-CG 3.11Å; D25-K675 VanDerWaalsContact OD2-CD 3.24Å; D25-K675 WeakPolarHBondContact OD2-CD 3.4Å; D25-K675 VanDerWaalsContact OD2-CE 3.28Å; D25-K675 WeakPolarHBondContact OD2-CE 3.09Å; D25-K675 IonicContact OD2-NZ 3.76Å; D25-K675 PolarHBondContact OD2-NZ 2.95Å
676S69.8Low71.1Confident81 Ų81124.5 Ų124.557%0.56668%0.679SS**  trans-86.5123.617077.50000113.3K24 V674K24-S676 WeakPolarHBondContact CD-O 3.4Å; K24-S676 WeakPolarHBondContact CE-O 3.45Å; K24-S676 WeakPolarHBondContact CG-O 3.5Å; V674-S676 PolarHBondContact O-N 2.57Å; V674-S676 VanDerWaalsContact O-N 3.1Å
677E76.4Confident71.4Confident127 Ų127120.1 Ų120.159%0.59367%0.672SS**  trans-123.9112.3177.3156.5170.7179.700109.8K24 L679K24-E677 HydrophobicContact CD-CB 3.9Å; K24-E677 IonicContact NZ-OE2 2.71Å; K24-E677 PolarHBondContact NZ-OE2 2.98Å; E677-L679 HydrophobicContact CG-CD2 3.98Å; E677-L679 HydrophobicContact CG-CG 3.97Å; E677-L679 PolarHBondContact O-N 3.33Å
678K69.7Low72Confident173 Ų173125.2 Ų125.275%0.75268%0.683SS**  trans-90.988.6-175.2-60.1177.2-176.3177.30107.5D680K678-D680 VanDerWaalsContact C-N 3.31Å; K678-D680 PolarHBondContact O-N 3.34Å
679L73.4Confident72.1Confident108 Ų108127.4 Ų127.457%0.56567%0.673SS**  trans-77.783.6172-66.1-178.1000109.6E677 F681E677-L679 HydrophobicContact CG-CD2 3.98Å; E677-L679 HydrophobicContact CG-CG 3.97Å; E677-L679 PolarHBondContact O-N 3.33Å; L679-F681 HydrophobicContact CB-CD2 4.05Å; L679-F681 HydrophobicContact CB-CE2 3.56Å; L679-F681 HydrophobicContact CB-CZ 4.2Å; L679-F681 HydrophobicContact CD1-CE2 4Å; L679-F681 HydrophobicContact CD1-CZ 4.2Å; L679-F681 HydrophobicContact CG-CE2 4.39Å; L679-F681 VanDerWaalsContact O-CD2 3.29Å; L679-F681 WeakPolarHBondContact O-CD2 3.3Å; L679-F681 PolarHBondContact O-N 2.92Å; L679-F681 VanDerWaalsContact O-N 3.07Å
680D70.2Confident72.4Confident100 Ų100125.4 Ų125.454%0.53565%0.653SS.*  trans-72.797.2175.3-84.2-70.2000111.3K678 K682K678-D680 VanDerWaalsContact C-N 3.31Å; K678-D680 PolarHBondContact O-N 3.34Å; D680-K682 WeakPolarHBondContact OD1-CD 3.3Å; D680-K682 WeakPolarHBondContact OD1-CE 3.48Å; D680-K682 IonicContact OD1-NZ 3.21Å; D680-K682 PolarHBondContact OD1-NZ 2.65Å
681F69.9Low73Confident126 Ų126126.2 Ų126.255%0.55365%0.646SS**  trans-88.5-1.5176.4-73.6-70.8000114.4L679 D683 R684 V685L679-F681 HydrophobicContact CB-CD2 4.05Å; L679-F681 HydrophobicContact CB-CE2 3.56Å; L679-F681 HydrophobicContact CB-CZ 4.2Å; L679-F681 HydrophobicContact CD1-CE2 4Å; L679-F681 HydrophobicContact CD1-CZ 4.2Å; L679-F681 HydrophobicContact CG-CE2 4.39Å; L679-F681 VanDerWaalsContact O-CD2 3.29Å; L679-F681 WeakPolarHBondContact O-CD2 3.3Å; L679-F681 PolarHBondContact O-N 2.92Å; L679-F681 VanDerWaalsContact O-N 3.07Å; F681-D683 VanDerWaalsContact C-N 3.35Å; F681-D683 PolarHBondContact O-N 3.32Å; F681-R684 PolarHBondContact O-N 3.44Å; F681-V685 HydrophobicContact CB-CG2 3.95Å; F681-V685 PolarHBondContact O-N 2.61Å
682K66.9Low73.7Confident160 Ų160126 Ų12670%0.69665%0.648SS**G310 helixtrans-45.5-51.4-168.8-69.1164.1179.7149.40113.5D680 R684D680-K682 WeakPolarHBondContact OD1-CD 3.3Å; D680-K682 WeakPolarHBondContact OD1-CE 3.48Å; D680-K682 IonicContact OD1-NZ 3.21Å; D680-K682 PolarHBondContact OD1-NZ 2.65Å; K682-R684 PolarHBondContact O-N 2.98Å
683D67.2Low74.3Confident153 Ų153127 Ų12782%0.81865%0.65SS**G310 helixtrans-87.9-5.4-172-45.2-44.6000114F681F681-D683 VanDerWaalsContact C-N 3.35Å; F681-D683 PolarHBondContact O-N 3.32Å
684R71.9Confident74.5Confident223 Ų223128.5 Ų128.584%0.84266%0.661SS**G310 helixtrans-110-6.8-174.4-66.1-170.4177.1-152.2-0.5114.3F681 K682F681-R684 PolarHBondContact O-N 3.44Å; K682-R684 PolarHBondContact O-N 2.98Å
685V74.3Confident75.1Confident111 Ų111129.2 Ų129.267%0.67366%0.66SS**  trans-100.891.9-179.5178.40000110.3F681F681-V685 HydrophobicContact CB-CG2 3.95Å; F681-V685 PolarHBondContact O-N 2.61Å
686Q76.2Confident75.6Confident169 Ų169130.5 Ų130.579%0.7968%0.676SS**  trans-93.7144.3172.2-66.7-177.6-900111.7
687S80Confident76.3Confident97 Ų97133.6 Ų133.668%0.67868%0.681SS**  trans-71.2126.2175.850.70000111.4I689S687-I689 PolarHBondContact O-N 2.71Å; S687-I689 VanDerWaalsContact O-N 3.12Å
688K84.4Confident76.5Confident216 Ų216133.4 Ų133.494%0.93969%0.688SS**SBendtrans-83.929.3177.7-61.2-178.8-179175.80113
689I75.7Confident76.9Confident133 Ų133130.1 Ų130.168%0.68268%0.684SS**SBendtrans-130.3123.7-172.1-57.5177.1000108.4S687 S691S687-I689 PolarHBondContact O-N 2.71Å; S687-I689 VanDerWaalsContact O-N 3.12Å; I689-S691 PolarHBondContact O-N 3.49Å
690G80.5Confident77Confident43 Ų43129.3 Ų129.344%0.44370%0.702SS.*  trans-73.560.6177.500000113.6L692 D693G690-L692 PolarHBondContact O-N 2.8Å; G690-D693 WeakPolarHBondContact CA-OD1 3.47Å; G690-D693 PolarHBondContact O-N 3.19Å
691S77.9Confident77.4Confident94 Ų94126.9 Ų126.966%0.65770%0.701SS**THydrogen-bonded Turntrans-66.9-19.9-178.855.70000113.5I689I689-S691 PolarHBondContact O-N 3.49Å
692L79Confident77.5Confident115 Ų115124.6 Ų124.660%0.60271%0.713SS**THydrogen-bonded Turntrans-106.85.6-176.5-54.2-175.9000113.6G690 N694 I695G690-L692 PolarHBondContact O-N 2.8Å; L692-N694 PolarHBondContact O-N 2.82Å; L692-I695 HydrophobicContact CB-CB 4.46Å; L692-I695 HydrophobicContact CB-CG2 4.45Å; L692-I695 HydrophobicContact CD2-CD1 4.43Å; L692-I695 VanDerWaalsContact O-CB 3.31Å; L692-I695 WeakPolarHBondContact O-CB 2.91Å; L692-I695 WeakPolarHBondContact O-CG2 3.31Å; L692-I695 PolarHBondContact O-N 3.07Å
693D82.4Confident77.5Confident123 Ų123124.8 Ų124.866%0.65872%0.721SS**THydrogen-bonded Turntrans-57.6-21-172.2-67.55.3000114.3G690G690-D693 WeakPolarHBondContact CA-OD1 3.47Å; G690-D693 PolarHBondContact O-N 3.19Å
694N79Confident77.8Confident138 Ų138126.9 Ų126.974%0.73872%0.723SS**THydrogen-bonded Turntrans-108.77179-63.4-78.2000114.2L692 T696 H697L692-N694 PolarHBondContact O-N 2.82Å; N694-T696 PolarHBondContact O-N 3.26Å; N694-H697 WeakPolarHBondContact O-CB 3Å; N694-H697 PolarHBondContact O-N 2.84Å; N694-H697 VanDerWaalsContact O-N 3.08Å
695I82.1Confident78Confident130 Ų130124.9 Ų124.967%0.66772%0.721SS**THydrogen-bonded Turntrans-60.6-21.6-175-161.7173000113.5L692 H697L692-I695 HydrophobicContact CB-CB 4.46Å; L692-I695 HydrophobicContact CB-CG2 4.45Å; L692-I695 HydrophobicContact CD2-CD1 4.43Å; L692-I695 VanDerWaalsContact O-CB 3.31Å; L692-I695 WeakPolarHBondContact O-CB 2.91Å; L692-I695 WeakPolarHBondContact O-CG2 3.31Å; L692-I695 PolarHBondContact O-N 3.07Å; I695-H697 VanDerWaalsContact C-N 3.29Å; I695-H697 PolarHBondContact O-N 3.16Å
696T81.3Confident78.1Confident121 Ų121126.5 Ų126.574%0.74272%0.724SS**THydrogen-bonded Turntrans-81.81179.253.40000114.2N694 V698N694-T696 PolarHBondContact O-N 3.26Å; T696-V698 PolarHBondContact O-N 2.77Å; T696-V698 VanDerWaalsContact O-N 3.08Å
697H83.3Confident77.9Confident145 Ų145125.1 Ų125.167%0.67172%0.718SS**  trans-74.595.9177.4177.1-80.8000112.1N694 I695N694-H697 WeakPolarHBondContact O-CB 3Å; N694-H697 PolarHBondContact O-N 2.84Å; N694-H697 VanDerWaalsContact O-N 3.08Å; I695-H697 VanDerWaalsContact C-N 3.29Å; I695-H697 PolarHBondContact O-N 3.16Å
698V81Confident77.5Confident124 Ų124126 Ų12675%0.75272%0.719SS**  trans-76.5128.3168.7-177.20000109.8T696 G700T696-V698 PolarHBondContact O-N 2.77Å; T696-V698 VanDerWaalsContact O-N 3.08Å; V698-G700 PolarHBondContact O-N 3.29Å
699P79.3Confident76.9Confident103 Ų103122.8 Ų122.867%0.66971%0.707SS**  trans-68.9112.6-178.127.1-34.3000112.1G701P699-G701 PolarHBondContact O-N 2.67Å
700G75.6Confident76.6Confident92 Ų92125.2 Ų125.295%0.94871%0.713SS**  trans-72.642.6179.400000115.8V698V698-G700 PolarHBondContact O-N 3.29Å
701G78.1Confident76Confident48 Ų48129 Ų12950%0.49572%0.722SS.*  trans-99.4-174.2178.600000113.9P699 N703P699-G701 PolarHBondContact O-N 2.67Å; G701-N703 PolarHBondContact O-N 2.92Å
702G70.7Confident75.4Confident79 Ų79130.3 Ų130.381%0.81473%0.726SS**SBendtrans74.6-46.1171.700000116.4K704G702-K704 PolarHBondContact O-N 2.88Å
703N67.7Low74.7Confident163 Ų163131.7 Ų131.787%0.87273%0.728SS**  trans-73.2-2.7-165-62.5-4000115.5G701 K705G701-N703 PolarHBondContact O-N 2.92Å; N703-K705 PolarHBondContact O-N 2.83Å
704K74.5Confident73.9Confident197 Ų197137.9 Ų137.986%0.85774%0.742SS**  trans-97.287.6177.3-71.1-177.5-179.6175.50110.5G702 I706G702-K704 PolarHBondContact O-N 2.88Å; K704-I706 PolarHBondContact O-N 3.05Å
705K75.4Confident73.2Confident182 Ų182139.7 Ų139.779%0.79175%0.746SS**  trans-60117.3171.8-172.3179.8-176.7-176.80110N703 E707N703-K705 PolarHBondContact O-N 2.83Å; K705-E707 PolarHBondContact O-N 3.12Å
706I75.9Confident72.2Confident145 Ų145140.2 Ų140.274%0.74475%0.75SS**  trans-81.1110.5171.4-59.6177000107.8K704 T708K704-I706 PolarHBondContact O-N 3.05Å; I706-T708 PolarHBondContact O-N 3.21Å
707E72.6Confident71.3Confident139 Ų139137.6 Ų137.665%0.6574%0.741SS**  trans-76.586.1178.6-64.5-168.415700111.3K705 H709K705-E707 PolarHBondContact O-N 3.12Å; E707-H709 VanDerWaalsContact C-N 3.31Å; E707-H709 PolarHBondContact O-N 3.02Å; E707-H709 PolarHBondContact O-ND1 3.07Å
708T71.1Confident70.3Confident116 Ų116139.7 Ų139.771%0.71275%0.748SS**  trans-69.485.6174.530.30000111.3I706 K710I706-T708 PolarHBondContact O-N 3.21Å; T708-K710 PolarHBondContact O-N 3.36Å
709H71.4Confident69.8Low148 Ų148138.1 Ų138.169%0.68575%0.748SS**  trans-6680.1161.7-73.784.6000109.8E707 L711E707-H709 VanDerWaalsContact C-N 3.31Å; E707-H709 PolarHBondContact O-N 3.02Å; E707-H709 PolarHBondContact O-ND1 3.07Å; H709-L711 PolarHBondContact O-N 3.17Å
710K69.9Low69.2Low185 Ų185143 Ų14380%0.80476%0.759SS**  trans-66.196.8170.2-85-170.6173.5-1780109.2T708 T712T708-K710 PolarHBondContact O-N 3.36Å; K710-T712 PolarHBondContact O-N 3.07Å
711L68Low69Low122 Ų122143.6 Ų143.664%0.63974%0.744SS**  trans-73.3107.2176.1-67.3161.7000110.1H709 F713H709-L711 PolarHBondContact O-N 3.17Å; L711-F713 HydrophobicContact CB-CD2 3.76Å; L711-F713 HydrophobicContact CB-CE1 4.31Å; L711-F713 HydrophobicContact CB-CE2 3.4Å; L711-F713 HydrophobicContact CB-CG 4.38Å; L711-F713 HydrophobicContact CB-CZ 3.71Å; L711-F713 HydrophobicContact CD1-CE2 3.72Å; L711-F713 HydrophobicContact CD1-CZ 3.82Å; L711-F713 HydrophobicContact CD2-CZ 4.08Å; L711-F713 HydrophobicContact CG-CE2 4.07Å; L711-F713 HydrophobicContact CG-CZ 4.07Å; L711-F713 PolarHBondContact O-N 3.42Å
712T64.9Low68.5Low121 Ų121148 Ų14874%0.74276%0.756SS**  trans-80.256.1-174.742.70000113.2K710 R714K710-T712 PolarHBondContact O-N 3.07Å; T712-R714 PolarHBondContact O-N 3.37Å
713F64.3Low68Low145 Ų145151.2 Ų151.264%0.63675%0.75SS**THydrogen-bonded Turntrans-69.54.2-177.8-62.7-52.6000115.8L711 A717L711-F713 HydrophobicContact CB-CD2 3.76Å; L711-F713 HydrophobicContact CB-CE1 4.31Å; L711-F713 HydrophobicContact CB-CE2 3.4Å; L711-F713 HydrophobicContact CB-CG 4.38Å; L711-F713 HydrophobicContact CB-CZ 3.71Å; L711-F713 HydrophobicContact CD1-CE2 3.72Å; L711-F713 HydrophobicContact CD1-CZ 3.82Å; L711-F713 HydrophobicContact CD2-CZ 4.08Å; L711-F713 HydrophobicContact CG-CE2 4.07Å; L711-F713 HydrophobicContact CG-CZ 4.07Å; L711-F713 PolarHBondContact O-N 3.42Å; F713-A717 WeakPolarHBondContact O-CB 3.4Å
714R65.8Low67.8Low253 Ų253147.3 Ų147.396%0.95575%0.747SS**THydrogen-bonded Turntrans-87.9-15.5-171.7-73.7-175.668.1164.3-1.2115.9T712T712-R714 PolarHBondContact O-N 3.37Å
715E64.5Low67.4Low175 Ų175141.1 Ų141.182%0.81873%0.733SS**THydrogen-bonded Turntrans-123.2-43.9-171.9-170.1171-154.700113
716N61.9Low67.1Low142 Ų142141.2 Ų141.276%0.75974%0.736SS**SBendtrans-86.8-3179.6-76.8-72000114.4K718N716-K718 VanDerWaalsContact C-N 3.34Å; N716-K718 PolarHBondContact O-N 3.22Å
717A60.8Low66.8Low66 Ų66140.8 Ų140.855%0.54573%0.734SS.*  trans-82.571.4-178.300000112.5F713 A719F713-A717 WeakPolarHBondContact O-CB 3.4Å; A717-A719 PolarHBondContact O-N 3.39Å
718K63.8Low66.5Low189 Ų189139.3 Ų139.382%0.82273%0.734SS**  trans-63.5125.3165.7-72-164.6175.2-171.40109.7N716 K720N716-K718 VanDerWaalsContact C-N 3.34Å; N716-K718 PolarHBondContact O-N 3.22Å; K718-K720 PolarHBondContact O-N 3.06Å
719A69.6Low66Low90 Ų90143 Ų14374%0.74474%0.737SS**  trans-63102.9178.400000110.9A717 T721A717-A719 PolarHBondContact O-N 3.39Å; A719-T721 PolarHBondContact O-N 3.34Å
720K67.7Low65.5Low207 Ų207144.9 Ų144.990%0.974%0.743SS**  trans-81.847.4167.9-69.7-170.5175-174.90111K718 D722K718-K720 PolarHBondContact O-N 3.06Å; K720-D722 VanDerWaalsContact C-N 3.29Å; K720-D722 PolarHBondContact O-N 3.27Å; K720-D722 VanDerWaalsContact O-N 3.16Å
721T71.2Confident64.7Low103 Ų103139.4 Ų139.463%0.63273%0.728SS**  trans-85.379.6171.5-51.30000107.9A719 H723A719-T721 PolarHBondContact O-N 3.34Å; T721-H723 PolarHBondContact O-N 2.7Å; T721-H723 PolarHBondContact O-ND1 2.89Å
722D67.1Low64.1Low142 Ų142139 Ų13976%0.75973%0.733SS**  trans-55.9135.1160.5-172.314.8000108.4K720 G724K720-D722 VanDerWaalsContact C-N 3.29Å; K720-D722 PolarHBondContact O-N 3.27Å; K720-D722 VanDerWaalsContact O-N 3.16Å; D722-G724 PolarHBondContact O-N 2.77Å
723H58.9Low63Low146 Ų146139.7 Ų139.768%0.67674%0.736SS**  trans-82.379.1-179.5-61.722.3000106.1T721 A725T721-H723 PolarHBondContact O-N 2.7Å; T721-H723 PolarHBondContact O-ND1 2.89Å; H723-A725 CarbonylContact O-C 3.25Å; H723-A725 PolarHBondContact O-N 2.84Å; H723-A725 VanDerWaalsContact O-O 3.12Å
724G63.9Low62.5Low80 Ų80138.5 Ų138.583%0.82574%0.741SS**  trans-65.527.2-168.800000117D722D722-G724 PolarHBondContact O-N 2.77Å
725A67.2Low61.6Low67 Ų67132.1 Ų132.155%0.55474%0.735SS**SBendtrans-136.7129166.200000108H723 I727H723-A725 CarbonylContact O-C 3.25Å; H723-A725 PolarHBondContact O-N 2.84Å; H723-A725 VanDerWaalsContact O-O 3.12Å; A725-I727 WeakPolarHBondContact O-CG1 3.49Å; A725-I727 PolarHBondContact O-N 2.83Å
726E68.7Low60.7Low184 Ų184126.4 Ų126.486%0.8672%0.722SS**  trans-68.391.4173-66.1-174.7152.100109.9V728E726-V728 VanDerWaalsContact C-N 3.25Å; E726-V728 HydrophobicContact CB-CG2 4.32Å; E726-V728 PolarHBondContact O-N 3Å
727I68.5Low59.6Low137 Ų137127.2 Ų127.270%0.70373%0.727SS**  trans-77.276.8179.4-43.5-175.7000109.7A725 Y729A725-I727 WeakPolarHBondContact O-CG1 3.49Å; A725-I727 PolarHBondContact O-N 2.83Å; I727-Y729 VanDerWaalsContact C-N 3.27Å; I727-Y729 PolarHBondContact O-N 3.34Å
728V68.4Low59Low108 Ų108130.4 Ų130.466%0.65574%0.74SS**  trans-71.678.3179.1-176.20000110.7E726 K730E726-V728 VanDerWaalsContact C-N 3.25Å; E726-V728 HydrophobicContact CB-CG2 4.32Å; E726-V728 PolarHBondContact O-N 3Å; V728-K730 HydrophobicContact CG1-CD 3.93Å; V728-K730 HydrophobicContact CG1-CG 4.03Å; V728-K730 PolarHBondContact O-N 3.48Å
729Y59.5Low58Low194 Ų194126.7 Ų126.776%0.76174%0.737SS**  trans-81.482.1177.9-164.3-111.3000112I727 S731I727-Y729 VanDerWaalsContact C-N 3.27Å; I727-Y729 PolarHBondContact O-N 3.34Å; Y729-S731 VanDerWaalsContact C-N 3.33Å; Y729-S731 WeakPolarHBondContact CD1-OG 3.15Å; Y729-S731 VanDerWaalsContact CE1-OG 3.25Å; Y729-S731 WeakPolarHBondContact CE1-OG 3.31Å; Y729-S731 PolarHBondContact O-N 3.42Å; Y729-S731 VanDerWaalsContact O-N 3.08Å
730K61.2Low57.4Low187 Ų187128.2 Ų128.281%0.81374%0.74SS**  trans-79.675.4172-77.7166.259.2-179.80111.3V728V728-K730 HydrophobicContact CG1-CD 3.93Å; V728-K730 HydrophobicContact CG1-CG 4.03Å; V728-K730 PolarHBondContact O-N 3.48Å
731S53.8Low56.9Low69 Ų69129.4 Ų129.448%0.48374%0.739SS.*  trans-88.9133.116552.60000111.5Y729Y729-S731 VanDerWaalsContact C-N 3.33Å; Y729-S731 WeakPolarHBondContact CD1-OG 3.15Å; Y729-S731 VanDerWaalsContact CE1-OG 3.25Å; Y729-S731 WeakPolarHBondContact CE1-OG 3.31Å; Y729-S731 PolarHBondContact O-N 3.42Å; Y729-S731 VanDerWaalsContact O-N 3.08Å
732P54Low55.8Low115 Ų115133.6 Ų133.675%0.74775%0.751SS**  trans-68.3152.6174.2-20.733.7000114.5
733V42.7Very low55.2Low134 Ų134133.6 Ų133.681%0.81275%0.75SS**  trans6.4150.5144.1-160.30000119.2
734V52.7Low54.5Low121 Ų121131.7 Ų131.773%0.73375%0.753SS**  trans8597.4177.4-169.30000110.7
735S47.3Very low54Low119 Ų119136 Ų13683%0.83276%0.757SS**  65.1127.668.1-53.60000112.4
736G45.6Very low53.2Low54 Ų54139.2 Ų139.256%0.55777%0.769SS**  trans133.947.9-178.200000116.4T738G736-T738 PolarHBondContact O-N 3.31Å
737D39Very low52.1Low159 Ų159135.7 Ų135.785%0.8577%0.765SS**  40.873.9129.8-31.4-29.7000118
738T48.4Very low51.1Low134 Ų134134.4 Ų134.482%0.82277%0.769SS**  trans-165.1130.1149.610.10000110.5G736 P740G736-T738 PolarHBondContact O-N 3.31Å; T738-P740 VanDerWaalsContact O-CD 3.24Å; T738-P740 WeakPolarHBondContact O-CD 3.16Å
739S42.9Very low50.1Low110 Ų110136.4 Ų136.477%0.76978%0.781SS**  trans-77.1116.4-171.5-174.10000112.7R741S739-R741 PolarHBondContact O-N 3.44Å; S739-R741 VanDerWaalsContact O-N 3.11Å
740P57.3Low49.9Very low122 Ų122131.2 Ų131.279%0.79279%0.787SS**  trans-73104.5179.9-1733.2000111.2T738 H742T738-P740 VanDerWaalsContact O-CD 3.24Å; T738-P740 WeakPolarHBondContact O-CD 3.16Å; P740-H742 PolarHBondContact O-N 2.82Å
741R56.2Low49.5Very low232 Ų232128 Ų12888%0.87579%0.787SS**  trans-70114.1176.1-73.7179.2168.8156.7-3.5110.1S739S739-R741 PolarHBondContact O-N 3.44Å; S739-R741 VanDerWaalsContact O-N 3.11Å
742H49.5Very low49.7Very low191 Ų191132.1 Ų132.188%0.88480%0.802SS**  trans-65.4143.7-177.8-160.8-83.7000111.9P740P740-H742 PolarHBondContact O-N 2.82Å
743L53.5Low49.5Very low143 Ų143132.6 Ų132.675%0.74980%0.799SS**  trans-84.3148.7-167.5-66.1171.3000114
744S44.3Very low50.1Low105 Ų105132.1 Ų132.173%0.73479%0.789SS**  trans41.193.7150.461.60000118.6
745N52.7Low50.3Low172 Ų172130.4 Ų130.492%0.9278%0.779SS**  trans-111.8140.8140.3-86.7-36.6000108.4
746V50.9Low50.7Low133 Ų133130.3 Ų130.381%0.80677%0.769SS**  trans-95.9151.2-174.7-70.50000112.5
747S45.5Very low51.5Low110 Ų110129.9 Ų129.977%0.76976%0.757SS**  trans17.5144.4149.2-64.50000121.5
748S48.6Very low52.9Low111 Ų111125.6 Ų125.678%0.77674%0.738SS**  cis-166.5152.5-8.3-87.90000108.1
749T47.1Very low54Low150 Ų150126.6 Ų126.692%0.9273%0.734SS**  trans-110.8112.8168.244.90000110.3
750G55.2Low55.2Low85 Ų85127 Ų12788%0.87673%0.727SS**  trans-99119.3166.200000110.2
751S53.3Low55.8Low118 Ų118124.6 Ų124.683%0.82572%0.717SS**  trans-137.2156159-164.60000106.6
752I56.6Low56.6Low156 Ų156118.2 Ų118.280%0.870%0.704SS**  trans-114.7134.1-174.8-174.2168.4000110.1
753D50.4Low58.1Low126 Ų126114 Ų11467%0.67469%0.687SS**  trans-130.8176171.1-85.8-60.8000108.9
754M54.6Low59.5Low123 Ų123110 Ų11061%0.60668%0.675SS**  trans99.751.1-173.9-54175.361.500117.8T71T71-M754 WeakPolarHBondContact CA-O 3.22Å; T71-M754 HydrophobicContact CG2-CB 4.25Å; T71-M754 HydrophobicContact CG2-CE 4.26Å; T71-M754 HydrophobicContact CG2-CG 4.44Å
755V57Low61.3Low86 Ų86110.9 Ų110.952%0.52167%0.671SS.*SBendtrans-142.3137.3151.7175.90000112.4P70 T71 A72P70-V755 HydrophobicContact CB-CG1 4.03Å; P70-V755 HydrophobicContact CB-CG2 4.23Å; P70-V755 HydrophobicContact CG-CG1 4.15Å; P70-V755 HydrophobicContact CG-CG2 3.86Å; T71-V755 VanDerWaalsContact C-C 3.45Å; T71-V755 CarbonylContact O-C 3.46Å; A72-V755 VanDerWaalsContact CA-O 3.25Å; A72-V755 WeakPolarHBondContact CA-O 3.14Å; A72-V755 VanDerWaalsContact CB-N 3.32Å; A72-V755 VanDerWaalsContact CB-O 3.32Å; A72-V755 WeakPolarHBondContact CB-O 2.87Å
756D55.4Low62.7Low117 Ų117109.1 Ų109.163%0.62666%0.657SS**BIsolated β-bridgetrans65.496.2-178.7-60.9-28.7000121.7T71 A72 E73T71-D756 CarbonylContact O-C 3.17Å; T71-D756 VanDerWaalsContact O-C 3.25Å; T71-D756 WeakPolarHBondContact O-CA 3.25Å; T71-D756 PolarHBondContact O-N 2.78Å; A72-D756 VanDerWaalsContact C-C 3.41Å; A72-D756 CarbonylContact C-O 3.46Å; A72-D756 WeakPolarHBondContact CA-O 3.18Å; E73-D756 CarbonylContact C-O 3.36Å; E73-D756 PolarHBondContact N-O 3.4Å
757S63.4Low64.4Low44 Ų44107 Ų10731%0.30865%0.645SS.*  trans-96.2146.7176.1-147.50000113.4T71 A72 E73 Q759 L760T71-S757 PolarHBondContact O-N 3.39Å; A72-S757 WeakPolarHBondContact O-CA 3.08Å; A72-S757 WeakPolarHBondContact O-CB 3.29Å; A72-S757 PolarHBondContact O-OG 2.8Å; E73-S757 CarbonylContact O-C 3.37Å; E73-S757 VanDerWaalsContact O-CA 3.3Å; E73-S757 WeakPolarHBondContact O-CA 3.17Å; S757-Q759 VanDerWaalsContact C-N 3.33Å; S757-Q759 PolarHBondContact O-N 2.71Å; S757-L760 PolarHBondContact O-N 2.85Å
758P67.6Low66.4Low69 Ų69105.3 Ų105.345%0.44863%0.633SS.*THydrogen-bonded Turntrans-84.2-10.3-156.231-24000113.2E73 L760E73-P758 WeakPolarHBondContact O-CD 3.29Å; E73-P758 WeakPolarHBondContact O-CG 3.45Å; E73-P758 VanDerWaalsContact O-N 3.14Å; P758-L760 VanDerWaalsContact C-N 3.26Å; P758-L760 PolarHBondContact O-N 2.58Å
759Q71.9Confident68.1Low156 Ų156102.1 Ų102.173%0.72961%0.613SS**Hα-helixtrans-71.8-17.9176.2-63.1-175.9-5.300113.1S757 T762S757-Q759 VanDerWaalsContact C-N 3.33Å; S757-Q759 PolarHBondContact O-N 2.71Å; Q759-T762 PolarHBondContact O-OG1 2.79Å
760L68.4Low70Confident118 Ų11897.5 Ų97.562%0.61859%0.587SS**Hα-helixtrans-81.5-31.3179.1-61.8179.7000112.6S757 P758S757-L760 PolarHBondContact O-N 2.85Å; P758-L760 VanDerWaalsContact C-N 3.26Å; P758-L760 PolarHBondContact O-N 2.58Å
761A69.5Low71.5Confident71 Ų7197.1 Ų97.159%0.58757%0.565SS**Hα-helixtrans-67.3-39.4-177.500000112.9A764 D765A761-A764 PolarHBondContact O-N 3.09Å; A761-D765 PolarHBondContact O-N 2.78Å
762T73.5Confident73Confident98 Ų9894.9 Ų94.960%0.60155%0.553SS**Hα-helixtrans-70.1-31.7-17934.10000113.3Q759 A764 E766Q759-T762 PolarHBondContact O-OG1 2.79Å; T762-A764 VanDerWaalsContact C-N 3.33Å; T762-E766 PolarHBondContact O-N 3.16Å; T762-E766 VanDerWaalsContact O-N 3.07Å
763L81.2Confident74.3Confident103 Ų10396 Ų9654%0.53955%0.552SS.*Hα-helixtrans-67.5-33.1174.3-69.8170.9000112.3V767L763-V767 WeakPolarHBondContact O-CB 3.48Å; L763-V767 VanDerWaalsContact O-CG2 3.29Å; L763-V767 WeakPolarHBondContact O-CG2 3.45Å; L763-V767 PolarHBondContact O-N 2.69Å; L763-V767 VanDerWaalsContact O-N 3.09Å
764A81.4Confident75.7Confident59 Ų5997.5 Ų97.549%0.48856%0.555SS.*Hα-helixtrans-65.2-46.3176.400000111.6A761 T762 V767 S768A761-A764 PolarHBondContact O-N 3.09Å; T762-A764 VanDerWaalsContact C-N 3.33Å; A764-V767 PolarHBondContact O-N 3.04Å; A764-S768 PolarHBondContact O-N 2.82Å; A764-S768 PolarHBondContact O-OG 3.45Å
765D82.5Confident76.7Confident123 Ų12395.1 Ų95.166%0.65856%0.562SS**Hα-helixtrans-65.9-39.6177.1-105.8-0.8000112.5A761 S768 A769A761-D765 PolarHBondContact O-N 2.78Å; D765-S768 PolarHBondContact O-N 3.07Å; D765-A769 VanDerWaalsContact O-CB 3.28Å; D765-A769 WeakPolarHBondContact O-CB 3.5Å; D765-A769 PolarHBondContact O-N 2.99Å
766E83.7Confident76.4Confident135 Ų13599.2 Ų99.263%0.63158%0.58SS**Hα-helixtrans-69-34.2179-170.4166.8-144.800112.3T762 S770T762-E766 PolarHBondContact O-N 3.16Å; T762-E766 VanDerWaalsContact O-N 3.07Å; E766-S770 VanDerWaalsContact O-CB 3.27Å; E766-S770 WeakPolarHBondContact O-CB 3.27Å; E766-S770 PolarHBondContact O-N 2.85Å; E766-S770 PolarHBondContact O-OG 3.07Å
767V85.6Confident77.4Confident90 Ų9098.3 Ų98.355%0.54558%0.578SS.*Hα-helixtrans-65.1-49169.7168.50000110.7L763 A764 A769 S770 L771L763-V767 WeakPolarHBondContact O-CB 3.48Å; L763-V767 VanDerWaalsContact O-CG2 3.29Å; L763-V767 WeakPolarHBondContact O-CG2 3.45Å; L763-V767 PolarHBondContact O-N 2.69Å; L763-V767 VanDerWaalsContact O-N 3.09Å; A764-V767 PolarHBondContact O-N 3.04Å; V767-A769 PolarHBondContact O-N 3.17Å; V767-S770 WeakPolarHBondContact O-CB 3.43Å; V767-S770 PolarHBondContact O-N 3.39Å; V767-S770 VanDerWaalsContact O-N 3.07Å; V767-L771 HydrophobicContact CG1-CD1 4.14Å; V767-L771 WeakPolarHBondContact O-CD1 3.28Å; V767-L771 PolarHBondContact O-N 3.45Å
768S86.9Confident78.2Confident73 Ų73101.2 Ų101.251%0.5159%0.592SS.*Hα-helixtrans-60.4-44178.4-67.80000112.7A764 D765 S770 L771 A772A764-S768 PolarHBondContact O-N 2.82Å; A764-S768 PolarHBondContact O-OG 3.45Å; D765-S768 PolarHBondContact O-N 3.07Å; S768-S770 PolarHBondContact O-N 3.35Å; S768-L771 PolarHBondContact O-N 3.01Å; S768-A772 PolarHBondContact O-N 3.33Å
769A85.2Confident78.8Confident45 Ų45102.9 Ų102.937%0.37260%0.6SS.*Hα-helixtrans-68.5-22.5175.500000113.2D765 V767 K773D765-A769 VanDerWaalsContact O-CB 3.28Å; D765-A769 WeakPolarHBondContact O-CB 3.5Å; D765-A769 PolarHBondContact O-N 2.99Å; V767-A769 PolarHBondContact O-N 3.17Å; A769-K773 WeakPolarHBondContact O-CB 3.36Å; A769-K773 WeakPolarHBondContact O-CD 3.24Å; A769-K773 VanDerWaalsContact O-CG 3.24Å; A769-K773 WeakPolarHBondContact O-CG 3.4Å; A769-K773 PolarHBondContact O-N 3.39Å
770S87.1Confident79.2Confident53 Ų5399.8 Ų99.837%0.37159%0.592SS.*Hα-helixtrans-79.1-38.1173.8-63.40000112.2E766 V767 S768 K773 Q774E766-S770 VanDerWaalsContact O-CB 3.27Å; E766-S770 WeakPolarHBondContact O-CB 3.27Å; E766-S770 PolarHBondContact O-N 2.85Å; E766-S770 PolarHBondContact O-OG 3.07Å; V767-S770 WeakPolarHBondContact O-CB 3.43Å; V767-S770 PolarHBondContact O-N 3.39Å; V767-S770 VanDerWaalsContact O-N 3.07Å; S768-S770 PolarHBondContact O-N 3.35Å; S770-K773 PolarHBondContact O-N 2.97Å; S770-Q774 WeakPolarHBondContact O-CG 3.43Å; S770-Q774 PolarHBondContact O-N 3.36Å; S770-Q774 VanDerWaalsContact O-N 3.17Å
771L86.2Confident79.9Confident77 Ų7798.7 Ų98.740%0.40359%0.591SS.*Hα-helixtrans-61.6-48.9169.3-94.271000111.1V767 S768 K773 Q774 G775 L776V767-L771 HydrophobicContact CG1-CD1 4.14Å; V767-L771 WeakPolarHBondContact O-CD1 3.28Å; V767-L771 PolarHBondContact O-N 3.45Å; S768-L771 PolarHBondContact O-N 3.01Å; L771-K773 PolarHBondContact O-N 3.24Å; L771-K773 VanDerWaalsContact O-N 3.17Å; L771-Q774 CarbonylContact O-C 3.49Å; L771-Q774 WeakPolarHBondContact O-CA 3.49Å; L771-Q774 PolarHBondContact O-N 3.17Å; L771-G775 PolarHBondContact O-N 3.11Å; L771-G775 VanDerWaalsContact O-N 3.11Å; L771-L776 CarbonylContact C-O 3.49Å; L771-L776 HydrophobicContact CB-CB 3.96Å; L771-L776 HydrophobicContact CD2-CB 4.25Å; L771-L776 HydrophobicContact CG-CB 4.08Å; L771-L776 HydrophobicContact CG-CD1 4.28Å; L771-L776 PolarHBondContact O-N 2.82Å; L771-L776 VanDerWaalsContact O-N 3.11Å
772A85.4Confident80.5Confident70 Ų70100.5 Ų100.558%0.57959%0.591SS**Hα-helixtrans-59.1-31.6178.300000113S768 L776S768-A772 PolarHBondContact O-N 3.33Å; A772-L776 WeakPolarHBondContact CA-O 3.37Å; A772-L776 PolarHBondContact N-O 3.11Å
773K84.6Confident81Confident179 Ų179100.7 Ų100.778%0.77859%0.59SS**Hα-helixtrans-76.5-19.4172.5-77.1169.6-174.9166.20114.1A769 S770 L771A769-K773 WeakPolarHBondContact O-CB 3.36Å; A769-K773 WeakPolarHBondContact O-CD 3.24Å; A769-K773 VanDerWaalsContact O-CG 3.24Å; A769-K773 WeakPolarHBondContact O-CG 3.4Å; A769-K773 PolarHBondContact O-N 3.39Å; S770-K773 PolarHBondContact O-N 2.97Å; L771-K773 PolarHBondContact O-N 3.24Å; L771-K773 VanDerWaalsContact O-N 3.17Å
774Q79Confident81Confident159 Ų159100.5 Ų100.574%0.74359%0.594SS**Hα-helixtrans-91.6-3.6173.5-70.7-176.1-0.100113S770 L771S770-Q774 WeakPolarHBondContact O-CG 3.43Å; S770-Q774 PolarHBondContact O-N 3.36Å; S770-Q774 VanDerWaalsContact O-N 3.17Å; L771-Q774 CarbonylContact O-C 3.49Å; L771-Q774 WeakPolarHBondContact O-CA 3.49Å; L771-Q774 PolarHBondContact O-N 3.17Å
775G74.5Confident81Confident73 Ų73104 Ų10475%0.75360%0.603SS**THydrogen-bonded Turntrans85.926.2179.900000114.2L771L771-G775 PolarHBondContact O-N 3.11Å; L771-G775 VanDerWaalsContact O-N 3.11Å
776L51.5Low80.9Confident171 Ų171102.3 Ų102.390%0.89560%0.598SS**  trans-105.90172-93.8159.3000110.8L771 A772L771-L776 CarbonylContact C-O 3.49Å; L771-L776 HydrophobicContact CB-CB 3.96Å; L771-L776 HydrophobicContact CD2-CB 4.25Å; L771-L776 HydrophobicContact CG-CB 4.08Å; L771-L776 HydrophobicContact CG-CD1 4.28Å; L771-L776 PolarHBondContact O-N 2.82Å; L771-L776 VanDerWaalsContact O-N 3.11Å; A772-L776 WeakPolarHBondContact CA-O 3.37Å; A772-L776 PolarHBondContact N-O 3.11Å

Retrieved 776 of 776 residues in 108.3 ms (Link to these results)