A0A3Q0KRZ1_SCHMA Loading...

DUF3752 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KRZ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 280 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
1M50.7Low49.9Very low244 Ų244175.9 Ų175.9100%1.20289%0.886SS**  0102.10-65.5178.8113.700108
2S45.5Very low49.8Very low128 Ų128174.3 Ų174.390%0.89588%0.882SS**PPolyproline II helixtrans-76.9126.1-168.9-57.40000112.3
3R50.5Low50.5Low245 Ų245178.2 Ų178.293%0.92588%0.879SS**PPolyproline II helixtrans-81.6121.4171-77.1-177.9-172.9174.12.8109.6
4K50.7Low51.6Low204 Ų204174.1 Ų174.189%0.88787%0.868SS**PPolyproline II helixtrans-73.2125.7168-68.3177.4176.7177.40108.7
5M52.3Low52.3Low182 Ų182169.4 Ų169.490%0.89785%0.853SS**PPolyproline II helixtrans-78.7133.7166.7-70.4-68.3-142.600108.8
6L54.7Low52.7Low174 Ų174168.8 Ų168.891%0.91185%0.851SS**PPolyproline II helixtrans-89.5119.5172-85.2153.5000108.5S8L6-S8 PolarHBondContact O-N 3.18Å
7D42.3Very low53.9Low162 Ų162161.5 Ų161.587%0.86683%0.828SS**PPolyproline II helixtrans-65.1118.7170.1-81.7-33.3000110.6
8S52.6Low55.3Low104 Ų104160.4 Ų160.473%0.72783%0.833SS**  trans-88113.2161.7-175.70000108.3L6 N10L6-S8 PolarHBondContact O-N 3.18Å; S8-N10 PolarHBondContact O-N 3.07Å; S8-N10 VanDerWaalsContact O-N 3.1Å
9K45.6Very low56.3Low198 Ų198157.3 Ų157.386%0.86182%0.821SS**  trans-56.4109170.3-73.3172.5174.7173.20109.4
10N51.7Low56.7Low138 Ų138157.2 Ų157.274%0.73881%0.814SS**  trans-85.3127164.5-84.7-22.5000108.7S8 N12S8-N10 PolarHBondContact O-N 3.07Å; S8-N10 VanDerWaalsContact O-N 3.1Å; N10-N12 PolarHBondContact O-N 3.25Å
11D52.1Low57.4Low156 Ų156155.9 Ų155.983%0.83481%0.805SS**  trans-61.2113.3175.3-72.6-39.9000110.6R13D11-R13 PolarHBondContact O-N 2.73Å
12N49.5Very low58Low157 Ų157149.4 Ų149.484%0.8478%0.78SS**  trans-71.467.1175.5-69.7-32.6000111.6N10 V14N10-N12 PolarHBondContact O-N 3.25Å; N12-V14 PolarHBondContact O-N 2.78Å
13R57.9Low58.6Low225 Ų225148.5 Ų148.585%0.84977%0.766SS**  trans-7799.7157.3-79.5-172.9179-171.10.7107.7D11 V15D11-R13 PolarHBondContact O-N 2.73Å; R13-V15 PolarHBondContact O-N 2.95Å
14V65.9Low59.1Low120 Ų120141.6 Ų141.673%0.72775%0.747SS**  trans-62.6101.5170.5-177.20000107.6N12 I16N12-V14 PolarHBondContact O-N 2.78Å; V14-I16 HydrophobicContact CG1-CD1 4.31Å; V14-I16 HydrophobicContact CG1-CG1 3.79Å; V14-I16 PolarHBondContact O-N 3.44Å
15V63.2Low59.7Low104 Ų104136.5 Ų136.563%0.6373%0.729SS**  trans-79.2103.7173.3-177.70000107.5R13 V19R13-V15 PolarHBondContact O-N 2.95Å; V15-V19 HydrophobicContact CB-CG2 4.06Å; V15-V19 HydrophobicContact CG1-CG2 3.41Å; V15-V19 VanDerWaalsContact CG1-CG2 3.41Å
16I58.7Low60.1Low160 Ų160131 Ų13182%0.82171%0.705SS**  trans-93100.1173-56.3178.4000107.1V14V14-I16 HydrophobicContact CG1-CD1 4.31Å; V14-I16 HydrophobicContact CG1-CG1 3.79Å; V14-I16 PolarHBondContact O-N 3.44Å
17G73.1Confident60.3Low45 Ų45124.9 Ų124.946%0.46468%0.676SS.*SBendtrans158.4165178.700000111.4V19G17-V19 PolarHBondContact O-N 3.13Å; G17-V19 VanDerWaalsContact O-N 3.15Å
18P78.2Confident61.1Low142 Ų142122.4 Ų122.492%0.92267%0.671SS**PPolyproline II helixtrans-60.2119.7172.525.9-32.2000109.3
19V74Confident61.4Low101 Ų101122 Ų12261%0.61267%0.665SS**PPolyproline II helixtrans-98.9127.2174.71710000108V15 G17 Q21V15-V19 HydrophobicContact CB-CG2 4.06Å; V15-V19 HydrophobicContact CG1-CG2 3.41Å; V15-V19 VanDerWaalsContact CG1-CG2 3.41Å; G17-V19 PolarHBondContact O-N 3.13Å; G17-V19 VanDerWaalsContact O-N 3.15Å; V19-Q21 PolarHBondContact O-N 3.48Å
20F65.3Low62.2Low155 Ų155116.3 Ų116.368%0.6866%0.662SS**PPolyproline II helixtrans-59.6133.5171.7-78.9-73.6000110D24F20-D24 HydrophobicContact CB-CB 4.2Å; F20-D24 HydrophobicContact CD1-CB 3.72Å; F20-D24 HydrophobicContact CG-CB 4.4Å
21Q71.1Confident62.5Low130 Ų130117.1 Ų117.161%0.60767%0.665SS**PPolyproline II helixtrans-67.7149.5172-64.1-149.5-7.600108.9V19 D23 D24V19-Q21 PolarHBondContact O-N 3.48Å; Q21-D23 PolarHBondContact O-N 3.33Å; Q21-D24 PolarHBondContact N-OD2 3.07Å; Q21-D24 WeakPolarHBondContact O-CB 3.39Å; Q21-D24 PolarHBondContact O-N 3.01Å
22P62.2Low63.2Low107 Ų107112 Ų11270%0.69565%0.649SS**Hα-helixtrans-55.1-25.1178.218.5-29.9000113.1D24 L25P22-D24 VanDerWaalsContact C-N 3.31Å; P22-D24 PolarHBondContact O-N 3.38Å; P22-L25 PolarHBondContact O-N 3.47Å
23D58.6Low64.3Low110 Ų110111.2 Ų111.259%0.58865%0.652SS**Hα-helixtrans-72.4-18.7175.1-68.5-14.1000113.9Q21 V26Q21-D23 PolarHBondContact O-N 3.33Å; D23-V26 CarbonylContact O-C 3.45Å
24D61.9Low64.9Low99 Ų99103.1 Ų103.153%0.52963%0.634SS.*Hα-helixtrans-80.5-21.2177.6-62.2-34.8000112.4F20 Q21 P22F20-D24 HydrophobicContact CB-CB 4.2Å; F20-D24 HydrophobicContact CD1-CB 3.72Å; F20-D24 HydrophobicContact CG-CB 4.4Å; Q21-D24 PolarHBondContact N-OD2 3.07Å; Q21-D24 WeakPolarHBondContact O-CB 3.39Å; Q21-D24 PolarHBondContact O-N 3.01Å; P22-D24 VanDerWaalsContact C-N 3.31Å; P22-D24 PolarHBondContact O-N 3.38Å
25L62.2Low64.9Low97 Ų97102.3 Ų102.351%0.50862%0.624SS.*Hα-helixtrans-81.5-24.5-179.4-62.9174.6000112.2P22 F40P22-L25 PolarHBondContact O-N 3.47Å; L25-F40 HydrophobicContact CB-CE2 4.21Å; L25-F40 HydrophobicContact CB-CZ 4.11Å; L25-F40 HydrophobicContact CD1-CZ 4.26Å
26V62.1Low65.3Low66 Ų66101.2 Ų101.240%0.462%0.62SS.*SBendtrans-148.399.6178-175.90000107.8D23 S28 F40D23-V26 CarbonylContact O-C 3.45Å; V26-S28 PolarHBondContact O-N 3.36Å; V26-F40 HydrophobicContact CG2-CD2 4.34Å; V26-F40 HydrophobicContact CG2-CE2 4.26Å; V26-F40 HydrophobicContact CG2-CZ 4.47Å
27P58.1Low65.9Low46 Ų4697.6 Ų97.630%0.29961%0.608SS.*  trans-63.4112.9175.326.7-33000108.5T29 A34P27-T29 PolarHBondContact O-N 2.94Å; P27-A34 HydrophobicContact CG-CB 4.1Å
28S58.8Low65.7Low110 Ų110101.3 Ų101.377%0.76962%0.618SS**SBendtrans-64.4-19.617466.50000111.8V26V26-S28 PolarHBondContact O-N 3.36Å
29T59.7Low65.3Low97 Ų9798.6 Ų98.660%0.59560%0.595SS**SBendtrans-105114.717655.80000108.4P27 I31P27-T29 PolarHBondContact O-N 2.94Å; T29-I31 PolarHBondContact O-N 3.44Å
30G62.2Low65Low78 Ų7896.9 Ų96.980%0.80458%0.58SS**  trans-67.739.3-16600000118
31I57.5Low65.1Low155 Ų15595.9 Ų95.980%0.79558%0.575SS**  trans-10388.5172.3-63.390.5000108.2T29T29-I31 PolarHBondContact O-N 3.44Å
32G66.3Low64.9Low47 Ų4795.3 Ų95.349%0.48557%0.572SS.*SBendtrans144.1158173.500000112.9A34G32-A34 PolarHBondContact O-N 3.22Å
33P73.5Confident64.8Low142 Ų14297.4 Ų97.492%0.92257%0.57SS**  trans-66.3108173.428.1-32.5000109.6
34A69.7Low64.9Low55 Ų5598.5 Ų98.546%0.45557%0.57SS.*PPolyproline II helixtrans-100.3142.2175.100000111P27 G32P27-A34 HydrophobicContact CG-CB 4.1Å; G32-A34 PolarHBondContact O-N 3.22Å
35L66.5Low64.7Low102 Ų10299.4 Ų99.453%0.53458%0.575SS.*PPolyproline II helixtrans-69.1131.5173.3-140.487.8000109S37 L39L35-S37 PolarHBondContact O-N 3.25Å; L35-L39 HydrophobicContact CD2-CB 3.82Å; L35-L39 HydrophobicContact CD2-CD1 4.35Å; L35-L39 HydrophobicContact CG-CB 4.44Å; L35-L39 HydrophobicContact CG-CD1 4.3Å
36P72.2Confident64.3Low82 Ų82102 Ų10253%0.53258%0.582SS.*PPolyproline II helixtrans-51.5132.9175.2-28.233.3000111.9D38 L39P36-D38 PolarHBondContact O-N 3.06Å; P36-D38 VanDerWaalsContact O-N 3.08Å; P36-L39 HydrophobicContact CB-CG 4.42Å; P36-L39 HydrophobicContact CG-CD1 4.33Å; P36-L39 WeakPolarHBondContact O-CB 3.32Å; P36-L39 PolarHBondContact O-N 3.3Å
37S70.4Confident63.7Low83 Ų83105.7 Ų105.758%0.5860%0.599SS**Hα-helixtrans-56.2-28.1-174.537.40000114L35 F40 K41L35-S37 PolarHBondContact O-N 3.25Å; S37-F40 PolarHBondContact O-N 3.48Å; S37-K41 WeakPolarHBondContact O-CG 3.28Å; S37-K41 PolarHBondContact O-N 2.84Å
38D68.2Low63.4Low124 Ų124108 Ų10866%0.66362%0.617SS**Hα-helixtrans-65.1-37.4174-75.6-17.3000112.9P36 F40 K41 Q42P36-D38 PolarHBondContact O-N 3.06Å; P36-D38 VanDerWaalsContact O-N 3.08Å; D38-F40 VanDerWaalsContact C-N 3.3Å; D38-F40 PolarHBondContact O-N 2.86Å; D38-K41 PolarHBondContact O-N 3.21Å; D38-Q42 PolarHBondContact O-N 2.87Å; D38-Q42 VanDerWaalsContact O-N 3.13Å
39L70.9Confident62.6Low84 Ų84111 Ų11144%0.4462%0.619SS.*Hα-helixtrans-70.2-31178.1-63.2-178000111.6L35 P36L35-L39 HydrophobicContact CD2-CB 3.82Å; L35-L39 HydrophobicContact CD2-CD1 4.35Å; L35-L39 HydrophobicContact CG-CB 4.44Å; L35-L39 HydrophobicContact CG-CD1 4.3Å; P36-L39 HydrophobicContact CB-CG 4.42Å; P36-L39 HydrophobicContact CG-CD1 4.33Å; P36-L39 WeakPolarHBondContact O-CB 3.32Å; P36-L39 PolarHBondContact O-N 3.3Å
40F66.9Low61.9Low66 Ų66111.7 Ų111.729%0.28963%0.628SS.*Hα-helixtrans-69-47.9176.3-151.9-96.9000110.8L25 V26 S37 D38 Q42 K43 F44L25-F40 HydrophobicContact CB-CE2 4.21Å; L25-F40 HydrophobicContact CB-CZ 4.11Å; L25-F40 HydrophobicContact CD1-CZ 4.26Å; V26-F40 HydrophobicContact CG2-CD2 4.34Å; V26-F40 HydrophobicContact CG2-CE2 4.26Å; V26-F40 HydrophobicContact CG2-CZ 4.47Å; S37-F40 PolarHBondContact O-N 3.48Å; D38-F40 VanDerWaalsContact C-N 3.3Å; D38-F40 PolarHBondContact O-N 2.86Å; F40-Q42 VanDerWaalsContact C-N 3.31Å; F40-Q42 PolarHBondContact O-N 2.91Å; F40-K43 PolarHBondContact O-N 3.44Å; F40-F44 HydrophobicContact CD1-CD2 4.03Å; F40-F44 AromaticContact CD1-CE2 3.66Å; F40-F44 HydrophobicContact CD1-CE2 3.66Å; F40-F44 HydrophobicContact CE1-CD2 4.07Å; F40-F44 AromaticContact CE1-CE2 3.28Å; F40-F44 HydrophobicContact CE1-CE2 3.28Å; F40-F44 HydrophobicContact CE1-CZ 4.06Å; F40-F44 HydrophobicContact CG-CE2 4.45Å; F40-F44 AromaticContact CZ-CE2 3.78Å; F40-F44 HydrophobicContact CZ-CE2 3.78Å; F40-F44 HydrophobicContact CZ-CZ 4.32Å; F40-F44 WeakPolarHBondContact O-CD2 3.4Å
41K68.1Low60.7Low134 Ų134113.1 Ų113.158%0.58362%0.62SS**Hα-helixtrans-61.2-36.5178.1-69.5170.5-177.2-770113S37 D38 K43 N45S37-K41 WeakPolarHBondContact O-CG 3.28Å; S37-K41 PolarHBondContact O-N 2.84Å; D38-K41 PolarHBondContact O-N 3.21Å; K41-K43 VanDerWaalsContact C-N 3.26Å; K41-K43 PolarHBondContact O-N 3.09Å; K41-N45 PolarHBondContact O-N 3.3Å; K41-N45 PolarHBondContact O-ND2 2.93Å
42Q66.2Low59.7Low117 Ų117111 Ų11155%0.54762%0.62SS.*Hα-helixtrans-66.7-26.8179.2-167.6-178.5-42.400113.1D38 F40D38-Q42 PolarHBondContact O-N 2.87Å; D38-Q42 VanDerWaalsContact O-N 3.13Å; F40-Q42 VanDerWaalsContact C-N 3.31Å; F40-Q42 PolarHBondContact O-N 2.91Å
43K60.9Low58.4Low152 Ų152118.3 Ų118.366%0.66163%0.634SS**Hα-helixtrans-76.7-42.4179.7-69.7-154.9175.5-168.30112.5F40 K41 N45 K46F40-K43 PolarHBondContact O-N 3.44Å; K41-K43 VanDerWaalsContact C-N 3.26Å; K41-K43 PolarHBondContact O-N 3.09Å; K43-N45 VanDerWaalsContact C-N 3.35Å; K43-N45 PolarHBondContact O-N 2.79Å; K43-K46 PolarHBondContact O-N 3.08Å
44F60.4Low57Low132 Ų132120.8 Ų120.858%0.57963%0.63SS**Hα-helixtrans-70.8-28.9178.3-73.2-82.3000113.6F40 K46F40-F44 HydrophobicContact CD1-CD2 4.03Å; F40-F44 AromaticContact CD1-CE2 3.66Å; F40-F44 HydrophobicContact CD1-CE2 3.66Å; F40-F44 HydrophobicContact CE1-CD2 4.07Å; F40-F44 AromaticContact CE1-CE2 3.28Å; F40-F44 HydrophobicContact CE1-CE2 3.28Å; F40-F44 HydrophobicContact CE1-CZ 4.06Å; F40-F44 HydrophobicContact CG-CE2 4.45Å; F40-F44 AromaticContact CZ-CE2 3.78Å; F40-F44 HydrophobicContact CZ-CE2 3.78Å; F40-F44 HydrophobicContact CZ-CZ 4.32Å; F40-F44 WeakPolarHBondContact O-CD2 3.4Å; F44-K46 PolarHBondContact O-N 2.9Å
45N57Low55.4Low118 Ų118123.5 Ų123.563%0.63165%0.646SS**THydrogen-bonded Turntrans-76.7-9.6176.5-69.7-15.4000113.6K41 K43 S48K41-N45 PolarHBondContact O-N 3.3Å; K41-N45 PolarHBondContact O-ND2 2.93Å; K43-N45 VanDerWaalsContact C-N 3.35Å; K43-N45 PolarHBondContact O-N 2.79Å; N45-S48 PolarHBondContact O-OG 3.02Å
46K54.5Low53.9Low153 Ų153123.6 Ų123.667%0.66566%0.655SS**THydrogen-bonded Turntrans-88.7-13.6-178-117.6174.3171.7-171.30113.6K43 F44K43-K46 PolarHBondContact O-N 3.08Å; F44-K46 PolarHBondContact O-N 2.9Å
47D49.6Very low52.4Low142 Ų142124.7 Ų124.776%0.75966%0.66SS**SBendtrans-91.1-0.8-177.2-62.1-27.3000113
48S50.9Low51Low95 Ų95128 Ų12866%0.66467%0.672SS**SBendtrans-106.91.1-176.555.70000115.8N45N45-S48 PolarHBondContact O-OG 3.02Å
49E43.6Very low49.7Very low173 Ų173131.6 Ų131.681%0.80868%0.682SS**SBendtrans-123126.4177.3-82.1-176.8167.500112.7
50S44.4Very low48.5Very low112 Ų112130.3 Ų130.378%0.78369%0.689SS**  trans-71.2137-170.542.70000114.9
51V36.8Very low47.7Very low107 Ų107135.8 Ų135.865%0.64872%0.715SS**  trans38.2108.9137.8-166.20000118.9Y53V51-Y53 HydrophobicContact CG1-CD2 3.74Å; V51-Y53 HydrophobicContact CG1-CE2 3.36Å
52S36.2Very low46.8Very low112 Ų112136.8 Ų136.878%0.78373%0.725SS**  trans-149.7103.6146.8178.80000110.7K54S52-K54 PolarHBondContact O-N 3.29Å
53Y39.8Very low46.2Very low200 Ų200137.2 Ų137.278%0.78473%0.731SS**  trans-82.4111173.3-53.1-80.9000109.7V51V51-Y53 HydrophobicContact CG1-CD2 3.74Å; V51-Y53 HydrophobicContact CG1-CE2 3.36Å
54K44.3Very low46.2Very low193 Ų193134.1 Ų134.184%0.83973%0.725SS**  trans-130.698.6157.4-73.3-66.3176.6-177.20109.8S52S52-K54 PolarHBondContact O-N 3.29Å
55S35.1Very low46.3Very low112 Ų112135.6 Ų135.678%0.78374%0.737SS**  trans-38127.2155165.30000111.4
56S36.1Very low47.1Very low104 Ų104132 Ų13273%0.72773%0.728SS**  166.2130.7128.6-71.90000109
57T40.1Very low48.1Very low105 Ų105130.9 Ų130.964%0.64474%0.737SS**  trans118.680.7164-42.60000112.2F59T57-F59 WeakPolarHBondContact O-CD2 3.34Å; T57-F59 PolarHBondContact O-N 2.91Å; T57-F59 VanDerWaalsContact O-N 3.16Å
58D40.3Very low49.2Very low154 Ų154127 Ų12782%0.82472%0.716SS**  38.369.7111.8-150.518000115.2
59F41.9Very low50.2Low198 Ų198128.2 Ų128.287%0.86871%0.714SS**  trans-105.782157.4-69.7-77.5000107T57 E61T57-F59 WeakPolarHBondContact O-CD2 3.34Å; T57-F59 PolarHBondContact O-N 2.91Å; T57-F59 VanDerWaalsContact O-N 3.16Å; F59-E61 PolarHBondContact O-N 3.18Å
60G44.8Very low51.6Low57 Ų57125.9 Ų125.959%0.58871%0.714SS**  trans-53.3133.815700000109.2I62G60-I62 PolarHBondContact O-N 2.96Å
61E50.3Low53Low182 Ų182123.7 Ų123.785%0.8571%0.709SS**  trans61.859.3137.5-151167.2-146.100114.6F59F59-E61 PolarHBondContact O-N 3.18Å
62I48.6Very low54.5Low155 Ų155122.6 Ų122.680%0.79570%0.696SS**  trans-99.4106.3153.6-144.581.8000107.1G60 T64G60-I62 PolarHBondContact O-N 2.96Å; I62-T64 PolarHBondContact O-N 3.47Å
63D54.6Low56.1Low126 Ų126122.9 Ų122.967%0.67469%0.686SS**  trans-44.3114.6171.6-67.9-47.7000109.6I65D63-I65 HydrophobicContact CB-CD1 4.3Å; D63-I65 HydrophobicContact CB-CG1 4.18Å; D63-I65 PolarHBondContact O-N 3.21Å
64T61Low57.4Low87 Ų87118.3 Ų118.353%0.53467%0.673SS.*  trans-74.176.2178.8-56.50000108.4I62 G66 L68I62-T64 PolarHBondContact O-N 3.47Å; T64-G66 PolarHBondContact O-N 3.29Å; T64-L68 HydrophobicContact CG2-CD1 4.38Å
65I62Low58.3Low162 Ų162112.4 Ų112.483%0.83166%0.656SS**  trans-91.587169.5-57.5173.7000106.3D63D63-I65 HydrophobicContact CB-CD1 4.3Å; D63-I65 HydrophobicContact CB-CG1 4.18Å; D63-I65 PolarHBondContact O-N 3.21Å
66G74.5Confident59.7Low42 Ų42108.2 Ų108.243%0.43363%0.625SS.*SBendtrans170.1160.717800000112.2T64 L68T64-G66 PolarHBondContact O-N 3.29Å; G66-L68 PolarHBondContact O-N 3.35Å
67P76.1Confident61.1Low131 Ų131109.3 Ų109.385%0.85162%0.618SS**PPolyproline II helixtrans-59135.1175.726-33.4000110
68L71.9Confident62.4Low60 Ų60111.5 Ų111.531%0.31462%0.615SS.*PPolyproline II helixtrans-61.6145.2175.6-98.771.1000110.5T64 G66 Q72 E73 E76T64-L68 HydrophobicContact CG2-CD1 4.38Å; G66-L68 PolarHBondContact O-N 3.35Å; L68-Q72 HydrophobicContact CD2-CB 4.3Å; L68-E73 HydrophobicContact CD2-CG 4.4Å; L68-E76 VanDerWaalsContact CD1-OE2 3.26Å; L68-E76 WeakPolarHBondContact CD1-OE2 3.44Å; L68-E76 HydrophobicContact CD2-CB 4.28Å; L68-E76 HydrophobicContact CD2-CG 3.47Å; L68-E76 VanDerWaalsContact CD2-CG 3.47Å; L68-E76 WeakPolarHBondContact CD2-OE2 3.31Å; L68-E76 HydrophobicContact CG-CG 4.37Å
69L71.5Confident63.5Low120 Ų120109.6 Ų109.663%0.62860%0.596SS**PPolyproline II helixtrans-65.8137.4167.5-60.6175.9000109G71 Q72L69-G71 PolarHBondContact O-N 3.45Å; L69-Q72 WeakPolarHBondContact O-CB 3.47Å; L69-Q72 PolarHBondContact O-N 3.12Å; L69-Q72 VanDerWaalsContact O-N 3.08Å
70P73.2Confident64.5Low125 Ų125106.3 Ų106.381%0.81258%0.583SS**THydrogen-bonded Turntrans-52125.5174.2-2633.8000111.1
71G73.1Confident65.4Low65 Ų65108.5 Ų108.567%0.6758%0.581SS**THydrogen-bonded Turntrans99.6-7.8-177.900000115.9L69L69-G71 PolarHBondContact O-N 3.45Å
72Q69.6Low65.8Low84 Ų84107.2 Ų107.239%0.39357%0.572SS.*  trans-93.1-7.5176.6-149.9160.7-59.100113.7L68 L69 I74 S75 E76L68-Q72 HydrophobicContact CD2-CB 4.3Å; L69-Q72 WeakPolarHBondContact O-CB 3.47Å; L69-Q72 PolarHBondContact O-N 3.12Å; L69-Q72 VanDerWaalsContact O-N 3.08Å; Q72-I74 PolarHBondContact O-N 3.41Å; Q72-S75 WeakPolarHBondContact O-CB 3.44Å; Q72-S75 PolarHBondContact O-N 2.82Å; Q72-E76 WeakPolarHBondContact O-CG 3.46Å; Q72-E76 PolarHBondContact O-N 3.41Å
73E69Low66.2Low119 Ų119104.7 Ų104.756%0.55657%0.568SS**Hα-helixtrans-51.8-49-177.4-65.3164.5-157.800112.6L68 S75 E76 E77L68-E73 HydrophobicContact CD2-CG 4.4Å; E73-S75 PolarHBondContact O-N 3.21Å; E73-E76 PolarHBondContact O-N 3.35Å; E73-E77 PolarHBondContact O-N 2.82Å
74I66.8Low66.1Low103 Ų103101.7 Ų101.753%0.52857%0.568SS.*Hα-helixtrans-62.6-43.3-176.3-62137.4000110.8Q72 E76 E77 W78Q72-I74 PolarHBondContact O-N 3.41Å; I74-E76 PolarHBondContact O-N 2.97Å; I74-E77 PolarHBondContact O-N 3.28Å; I74-W78 VanDerWaalsContact CG2-CD1 3.47Å; I74-W78 PolarHBondContact O-N 3.1Å
75S62.9Low65.7Low69 Ų69107.8 Ų107.848%0.48358%0.582SS.*Hα-helixtrans-56.7-37.9179.4153.10000112Q72 E73 W78 R79Q72-S75 WeakPolarHBondContact O-CB 3.44Å; Q72-S75 PolarHBondContact O-N 2.82Å; E73-S75 PolarHBondContact O-N 3.21Å; S75-W78 PolarHBondContact O-N 2.75Å; S75-R79 PolarHBondContact O-N 2.88Å
76E64.8Low65.3Low25 Ų25105.4 Ų105.412%0.11758%0.58CS.*Hα-helixtrans-75.9-34.4-178.5-54.9-140.3148.300112.8L68 Q72 E73 I74 R79 H80L68-E76 VanDerWaalsContact CD1-OE2 3.26Å; L68-E76 WeakPolarHBondContact CD1-OE2 3.44Å; L68-E76 HydrophobicContact CD2-CB 4.28Å; L68-E76 HydrophobicContact CD2-CG 3.47Å; L68-E76 VanDerWaalsContact CD2-CG 3.47Å; L68-E76 WeakPolarHBondContact CD2-OE2 3.31Å; L68-E76 HydrophobicContact CG-CG 4.37Å; Q72-E76 WeakPolarHBondContact O-CG 3.46Å; Q72-E76 PolarHBondContact O-N 3.41Å; E73-E76 PolarHBondContact O-N 3.35Å; I74-E76 PolarHBondContact O-N 2.97Å; E76-R79 WeakPolarHBondContact O-CB 3.49Å; E76-R79 PolarHBondContact O-N 3.06Å; E76-R79 IonicContact OE1-CZ 2.68Å; E76-R79 IonicContact OE1-NH1 2.89Å; E76-R79 PolarHBondContact OE1-NH1 3.26Å; E76-R79 IonicContact OE1-NH2 3.75Å; E76-R79 IonicContact OE2-CZ 3.7Å; E76-R79 IonicContact OE2-NH1 3.31Å; E76-R79 IonicContact OE2-NH2 3.53Å; E76-R79 PolarHBondContact OE2-NH2 3.14Å; E76-H80 PolarHBondContact O-CE1 3.41Å; E76-H80 PolarHBondContact O-N 3.39Å; E76-H80 PolarHBondContact O-ND1 3.29Å; E76-H80 VanDerWaalsContact O-ND1 3.15Å
77E65.4Low63.6Low126 Ų126106.2 Ų106.259%0.58959%0.589SS**Hα-helixtrans-62.8-43.7170.9-65.6-179.9171.900111E73 I74 R79 H80 L81E73-E77 PolarHBondContact O-N 2.82Å; I74-E77 PolarHBondContact O-N 3.28Å; E77-R79 VanDerWaalsContact C-N 3.3Å; E77-R79 PolarHBondContact O-N 3.32Å; E77-H80 PolarHBondContact O-N 3.45Å; E77-L81 WeakPolarHBondContact O-CD1 3.37Å; E77-L81 PolarHBondContact O-N 3.31Å
78W67.2Low61.6Low151 Ų151104 Ų10457%0.57259%0.589SS**Hα-helixtrans-67.5-28.6175.5-71.4104.3000113.5I74 S75 H80 L81 K82I74-W78 VanDerWaalsContact CG2-CD1 3.47Å; I74-W78 PolarHBondContact O-N 3.1Å; S75-W78 PolarHBondContact O-N 2.75Å; W78-H80 VanDerWaalsContact C-N 3.31Å; W78-H80 PolarHBondContact O-N 3.12Å; W78-L81 PolarHBondContact O-N 2.82Å; W78-K82 PolarHBondContact O-N 2.95Å; W78-K82 VanDerWaalsContact O-N 3.07Å
79R64.4Low60.1Low114 Ų114108.4 Ų108.443%0.4361%0.612SS.*Hα-helixtrans-61.8-39.5177.2-176.4176.861.8-128.6-0.2111.5S75 E76 E77S75-R79 PolarHBondContact O-N 2.88Å; E76-R79 WeakPolarHBondContact O-CB 3.49Å; E76-R79 PolarHBondContact O-N 3.06Å; E76-R79 IonicContact OE1-CZ 2.68Å; E76-R79 IonicContact OE1-NH1 2.89Å; E76-R79 PolarHBondContact OE1-NH1 3.26Å; E76-R79 IonicContact OE1-NH2 3.75Å; E76-R79 IonicContact OE2-CZ 3.7Å; E76-R79 IonicContact OE2-NH1 3.31Å; E76-R79 IonicContact OE2-NH2 3.53Å; E76-R79 PolarHBondContact OE2-NH2 3.14Å; E77-R79 VanDerWaalsContact C-N 3.3Å; E77-R79 PolarHBondContact O-N 3.32Å
80H63.3Low58.5Low129 Ų129107.5 Ų107.560%0.59762%0.616SS**Hα-helixtrans-79.6-27.8177.2-53130.2000112.6E76 E77 W78E76-H80 PolarHBondContact O-CE1 3.41Å; E76-H80 PolarHBondContact O-N 3.39Å; E76-H80 PolarHBondContact O-ND1 3.29Å; E76-H80 VanDerWaalsContact O-ND1 3.15Å; E77-H80 PolarHBondContact O-N 3.45Å; W78-H80 VanDerWaalsContact C-N 3.31Å; W78-H80 PolarHBondContact O-N 3.12Å
81L62.7Low56.9Low104 Ų104107.1 Ų107.155%0.54562%0.615SS.*Hα-helixtrans-72.7-37.1177-98.884.1000113.7E77 W78E77-L81 WeakPolarHBondContact O-CD1 3.37Å; E77-L81 PolarHBondContact O-N 3.31Å; W78-L81 PolarHBondContact O-N 2.82Å
82K58.8Low55.6Low154 Ų154109.1 Ų109.167%0.6761%0.614SS**Hα-helixtrans-78.1-24.5-176.3-74.8-172.8179.8-174.80114.3W78 G84W78-K82 PolarHBondContact O-N 2.95Å; W78-K82 VanDerWaalsContact O-N 3.07Å; K82-G84 PolarHBondContact O-N 3.49Å
83S56.9Low54.4Low102 Ų102113.3 Ų113.371%0.71364%0.635SS**THydrogen-bonded Turntrans-68.2-21.9177.6-165.10000112.8
84G52.6Low53.7Low64 Ų64112.9 Ų112.966%0.6664%0.641SS**THydrogen-bonded Turntrans-84.2-9.9-176.800000116.6K82K82-G84 PolarHBondContact O-N 3.49Å
85Y54Low53.2Low214 Ų214116.8 Ų116.884%0.83965%0.654SS**SBendtrans-117.2-5.5-164.3-83.7-85000116.8
86S52.1Low52.8Low113 Ų113120.9 Ų120.979%0.7967%0.67SS**SBendtrans-122.75.1-175.860.50000116.1
87G39.7Very low52.5Low59 Ų59128 Ų12861%0.60870%0.704SS**  trans-111.888.7173.600000111.4L89G87-L89 VanDerWaalsContact C-N 3.28Å; G87-L89 PolarHBondContact O-N 2.83Å
88G34.7Very low52.6Low83 Ų83130.9 Ų130.986%0.85671%0.714SS**  trans-64.888.1166.400000110.1
89L39.6Very low52.7Low154 Ų154131.2 Ų131.281%0.80673%0.727SS**  trans-140.6103.9172.8-70.9176.7000108.9G87G87-L89 VanDerWaalsContact C-N 3.28Å; G87-L89 PolarHBondContact O-N 2.83Å
90S38.7Very low53.5Low101 Ų101135 Ų13571%0.70675%0.746SS**  trans26.194.6166.771.10000115.9V92S90-V92 PolarHBondContact O-N 2.81Å
91C39.5Very low54.5Low117 Ų117137 Ų13779%0.79175%0.748SS**  trans-52.4102.5137.1173.10000106M93C91-M93 VanDerWaalsContact C-N 3.27Å; C91-M93 PolarHBondContact O-N 3.38Å
92V44.8Very low55.6Low106 Ų106136.5 Ų136.564%0.64275%0.746SS**  trans-58.9107.9158.9-175.60000102.8S90 V94S90-V92 PolarHBondContact O-N 2.81Å; V92-V94 HydrophobicContact CB-CG2 4.33Å; V92-V94 HydrophobicContact CG1-CG2 4.01Å; V92-V94 PolarHBondContact O-N 2.93Å
93M45.2Very low56.8Low172 Ų172134.3 Ų134.385%0.84775%0.746SS**  trans-60.182.7162.1-100.2-145.4172.600105.8C91 K95C91-M93 VanDerWaalsContact C-N 3.27Å; C91-M93 PolarHBondContact O-N 3.38Å; M93-K95 VanDerWaalsContact C-N 3.28Å; M93-K95 PolarHBondContact O-N 2.87Å
94V54Low58.4Low111 Ų111138.2 Ų138.267%0.67375%0.745SS**  trans-65.5105.6160.9-179.60000102.4V92 N96V92-V94 HydrophobicContact CB-CG2 4.33Å; V92-V94 HydrophobicContact CG1-CG2 4.01Å; V92-V94 PolarHBondContact O-N 2.93Å; V94-N96 PolarHBondContact O-N 3.36Å
95K55.3Low60.1Low185 Ų185139.5 Ų139.580%0.80474%0.735SS**  trans-39.3128172.3-65.6175178178.10106.7M93 E97M93-K95 VanDerWaalsContact C-N 3.28Å; M93-K95 PolarHBondContact O-N 2.87Å; K95-E97 PolarHBondContact O-N 3.27Å
96N55.7Low61.6Low154 Ų154133.7 Ų133.782%0.82472%0.722SS**  trans-65.360.1175.9-66.4-30.9000109.9V94 K98V94-N96 PolarHBondContact O-N 3.36Å; N96-K98 VanDerWaalsContact C-N 3.28Å; N96-K98 PolarHBondContact O-N 2.95Å
97E58.3Low63.2Low174 Ų174135.1 Ų135.181%0.81372%0.716SS**  trans-66.9101.8156.1-166.2161.1-15200103.2K95 L99K95-E97 PolarHBondContact O-N 3.27Å; E97-L99 PolarHBondContact O-N 3.18Å
98K67.4Low65.3Low187 Ų187139.1 Ų139.181%0.81372%0.723SS**  trans-30.8109.6-175.7-68.2172.8179.4177.40107.7N96 K100N96-K98 VanDerWaalsContact C-N 3.28Å; N96-K98 PolarHBondContact O-N 2.95Å; K98-K100 PolarHBondContact O-N 2.96Å
99L68.6Low67.5Low159 Ų159142.4 Ų142.483%0.83272%0.72SS**  trans-59.386177.9-7996.8000106.8E97 R101E97-L99 PolarHBondContact O-N 3.18Å; L99-R101 PolarHBondContact O-N 3.46Å; L99-R101 VanDerWaalsContact O-N 3.15Å
100K80.7Confident69.3Low192 Ų192140.9 Ų140.984%0.83572%0.72SS**  trans-70.1111170-95.3-172.1170.7-174.80103.1K98 D102K98-K100 PolarHBondContact O-N 2.96Å; K100-D102 PolarHBondContact O-N 3.43Å
101R84.4Confident70.7Confident171 Ų171147 Ų14765%0.64573%0.727SS**  trans-54.1135.4161-76.8-179.8153.573.62.3106.6L99 M105 T106L99-R101 PolarHBondContact O-N 3.46Å; L99-R101 VanDerWaalsContact O-N 3.15Å; R101-M105 HydrophobicContact CB-CB 4.07Å; R101-M105 HydrophobicContact CB-CE 4.3Å; R101-M105 HydrophobicContact CB-SD 4.41Å; R101-M105 HydrophobicContact CG-CE 3.8Å; R101-M105 HydrophobicContact CG-SD 4.44Å; R101-T106 HydrophobicContact CB-CG2 3.72Å
102D85.8Confident72Confident94 Ų94145 Ų14550%0.50371%0.714SS.*  trans-53.9151175.3-66.6-20.2000109.8K100 W104 M105 T106K100-D102 PolarHBondContact O-N 3.43Å; D102-W104 HydrophobicContact CB-CG 4.14Å; D102-W104 PolarHBondContact O-N 3.45Å; D102-W104 PolarHBondContact OD2-NE1 3.47Å; D102-M105 WeakPolarHBondContact O-CA 3.36Å; D102-M105 WeakPolarHBondContact O-CB 3.07Å; D102-M105 PolarHBondContact O-N 3.38Å; D102-T106 PolarHBondContact O-N 3.38Å
103T85.3Confident73Confident108 Ų108144.8 Ų144.866%0.66372%0.718SS**Hα-helixtrans-55.1-38.9-178.146.10000111.7M105 T106 E107T103-M105 PolarHBondContact O-N 2.86Å; T103-M105 VanDerWaalsContact O-N 3.15Å; T103-T106 PolarHBondContact O-N 3.49Å; T103-T106 PolarHBondContact O-OG1 3.26Å; T103-E107 VanDerWaalsContact O-CB 3.24Å; T103-E107 WeakPolarHBondContact O-CB 3.29Å; T103-E107 PolarHBondContact O-N 3.06Å
104W90Very high73.8Confident184 Ų184141.2 Ų141.270%0.69770%0.702SS**Hα-helixtrans-62.2-21.4175.872.9-93.3000114.2D102D102-W104 HydrophobicContact CB-CG 4.14Å; D102-W104 PolarHBondContact O-N 3.45Å; D102-W104 PolarHBondContact OD2-NE1 3.47Å
105M89.1Confident74.1Confident91 Ų91141.6 Ų141.645%0.44870%0.7SS.*Hα-helixtrans-86.5-14.5175.5-73.6-1786000113.7R101 D102 T103R101-M105 HydrophobicContact CB-CB 4.07Å; R101-M105 HydrophobicContact CB-CE 4.3Å; R101-M105 HydrophobicContact CB-SD 4.41Å; R101-M105 HydrophobicContact CG-CE 3.8Å; R101-M105 HydrophobicContact CG-SD 4.44Å; D102-M105 WeakPolarHBondContact O-CA 3.36Å; D102-M105 WeakPolarHBondContact O-CB 3.07Å; D102-M105 PolarHBondContact O-N 3.38Å; T103-M105 PolarHBondContact O-N 2.86Å; T103-M105 VanDerWaalsContact O-N 3.15Å
106T85.7Confident74.6Confident92 Ų92138.5 Ų138.556%0.56469%0.692SS**Hα-helixtrans-116.4-22.6-176.751.90000112.9R101 D102 T103 L108R101-T106 HydrophobicContact CB-CG2 3.72Å; D102-T106 PolarHBondContact O-N 3.38Å; T103-T106 PolarHBondContact O-N 3.49Å; T103-T106 PolarHBondContact O-OG1 3.26Å; T106-L108 PolarHBondContact O-N 2.67Å
107E85.4Confident75Confident144 Ų144135.9 Ų135.967%0.67369%0.686SS**SBendtrans-75.6115.6174.2-163.6169.9-165.100109.3T103 L109T103-E107 VanDerWaalsContact O-CB 3.24Å; T103-E107 WeakPolarHBondContact O-CB 3.29Å; T103-E107 PolarHBondContact O-N 3.06Å; E107-L109 PolarHBondContact O-N 2.6Å
108L84.1Confident75.5Confident143 Ų143134.6 Ų134.675%0.74968%0.684SS**PPolyproline II helixtrans-61133.9170.4-86.4128.3000108.7T106T106-L108 PolarHBondContact O-N 2.67Å
109L79.8Confident75.8Confident152 Ų152132.7 Ų132.780%0.79668%0.675SS**PPolyproline II helixtrans-49.7142.2168.1-64.9176.7000109.2E107 R111E107-L109 PolarHBondContact O-N 2.6Å; L109-R111 PolarHBondContact O-N 3.1Å
110P78.5Confident76.1Confident122 Ų122130.1 Ų130.179%0.79267%0.671SS**PPolyproline II helixtrans-47.7118.5175.7-26.233000109.2S112P110-S112 VanDerWaalsContact C-N 3.31Å; P110-S112 PolarHBondContact O-N 3.11Å
111R68Low75.6Confident228 Ų228127.2 Ų127.286%0.8667%0.673SS**  trans-65.699171.8-80.2-173.7175.5-145.60.1106.3L109 S113L109-R111 PolarHBondContact O-N 3.1Å; R111-S113 PolarHBondContact O-N 3.42Å; R111-S113 VanDerWaalsContact O-N 3.17Å
112S65.6Low75.2Confident75 Ų75127.7 Ų127.752%0.52468%0.68SS.*  trans-59.7120.116049.70000106.3P110 D114P110-S112 VanDerWaalsContact C-N 3.31Å; P110-S112 PolarHBondContact O-N 3.11Å; S112-D114 PolarHBondContact O-N 3.39Å; S112-D114 VanDerWaalsContact O-N 3.12Å
113S66.3Low74.4Confident102 Ų102132.1 Ų132.171%0.71370%0.695SS**SBendtrans-59.4-14.5168.745.80000111.8R111 L115R111-S113 PolarHBondContact O-N 3.42Å; R111-S113 VanDerWaalsContact O-N 3.17Å; S113-L115 PolarHBondContact O-N 3.07Å
114D60.8Low73.3Confident98 Ų98134 Ų13452%0.52469%0.69SS.*  trans-83.584.3-172-56-14.7000109S112 N116 S117S112-D114 PolarHBondContact O-N 3.39Å; S112-D114 VanDerWaalsContact O-N 3.12Å; D114-N116 PolarHBondContact O-N 3.24Å; D114-S117 PolarHBondContact O-N 2.98Å; D114-S117 PolarHBondContact O-OG 2.92Å
115L61.9Low72.5Confident119 Ų119133.4 Ų133.462%0.62370%0.695SS**G310 helixtrans-55.5-4.6168.5-63.6171.6000113S113 S117 L118 K119S113-L115 PolarHBondContact O-N 3.07Å; L115-S117 PolarHBondContact O-N 2.84Å; L115-L118 HydrophobicContact CD2-CD1 4.09Å; L115-L118 PolarHBondContact O-N 3.34Å; L115-K119 PolarHBondContact O-N 2.86Å
116N64.3Low71.3Confident119 Ų119133.2 Ų133.264%0.63670%0.696SS**G310 helixtrans-58.1-28.2171.7-67.255000112.4D114 L118 K119D114-N116 PolarHBondContact O-N 3.24Å; N116-L118 VanDerWaalsContact C-N 3.27Å; N116-L118 PolarHBondContact O-N 3.27Å; N116-K119 PolarHBondContact O-N 2.77Å
117S64.8Low70Confident99 Ų99136.3 Ų136.369%0.69271%0.707SS**G310 helixtrans-70.8-19.8175-44.60000113.7D114 L115D114-S117 PolarHBondContact O-N 2.98Å; D114-S117 PolarHBondContact O-OG 2.92Å; L115-S117 PolarHBondContact O-N 2.84Å
118L69.3Low68.9Low147 Ų147134.5 Ų134.577%0.7771%0.71SS**G310 helixtrans-98.4-8.9179.2-74.2163.7000113.1L115 N116L115-L118 HydrophobicContact CD2-CD1 4.09Å; L115-L118 PolarHBondContact O-N 3.34Å; N116-L118 VanDerWaalsContact C-N 3.27Å; N116-L118 PolarHBondContact O-N 3.27Å
119K73.2Confident67.6Low147 Ų147130.7 Ų130.764%0.63969%0.693SS**SBendtrans-70.5141.8175-78-179177.3178.60109.7L115 N116 C121L115-K119 PolarHBondContact O-N 2.86Å; N116-K119 PolarHBondContact O-N 2.77Å; K119-C121 PolarHBondContact O-N 3.02Å
120S75.6Confident66.6Low106 Ų106129.2 Ų129.274%0.74169%0.692SS**  trans-54112.6171.544.90000109.6K122S120-K122 PolarHBondContact O-N 3.26Å; S120-K122 VanDerWaalsContact O-N 3.15Å
121C69.5Low65.7Low130 Ų130130.6 Ų130.688%0.87869%0.693SS**  trans-68.1114.5-180-158.30000108.2K119K119-C121 PolarHBondContact O-N 3.02Å
122K76.3Confident65.3Low181 Ų181126.8 Ų126.879%0.78768%0.684SS**  trans-79.8119.7171.8-68.1-101.4-179.3167.40107.1S120 R124S120-K122 PolarHBondContact O-N 3.26Å; S120-K122 VanDerWaalsContact O-N 3.15Å; K122-R124 PolarHBondContact O-N 3.14Å; K122-R124 VanDerWaalsContact O-N 3.07Å
123F68.6Low65.2Low188 Ų188127.6 Ų127.683%0.82568%0.682SS**  trans-62.3110.9171.9-163.1-91.9000108.3
124R63.2Low65.4Low148 Ų148125.1 Ų125.156%0.55867%0.668SS**  trans-79.4122.3173-64.3-174.466.8-178.3-3.2107.6K122 D126K122-R124 PolarHBondContact O-N 3.14Å; K122-R124 VanDerWaalsContact O-N 3.07Å; R124-D126 IonicContact CZ-OD2 3.61Å; R124-D126 IonicContact NE-OD2 3.41Å; R124-D126 PolarHBondContact NE-OD2 3.5Å; R124-D126 IonicContact NH2-OD2 2.93Å; R124-D126 PolarHBondContact NH2-OD2 3.05Å
125Q72.1Confident65.9Low171 Ų171123.9 Ų123.980%0.79967%0.668SS**  trans-74.7-16.4175.5-93177.8-19.800112.3I127Q125-I127 PolarHBondContact O-N 2.89Å
126D63.5Low66.3Low87 Ų87128.4 Ų128.447%0.46568%0.676SS.*  trans-81.594.1-179.111.2-47.9000110.1R124 S128R124-D126 IonicContact CZ-OD2 3.61Å; R124-D126 IonicContact NE-OD2 3.41Å; R124-D126 PolarHBondContact NE-OD2 3.5Å; R124-D126 IonicContact NH2-OD2 2.93Å; R124-D126 PolarHBondContact NH2-OD2 3.05Å; D126-S128 PolarHBondContact O-N 3.16Å; D126-S128 VanDerWaalsContact O-N 3.16Å
127I60Low66.7Low157 Ų157131.5 Ų131.581%0.80568%0.684SS**THydrogen-bonded Turntrans-69.8-1.1176.3-43.7171.5000111.3Q125Q125-I127 PolarHBondContact O-N 2.89Å
128S61.7Low66.8Low105 Ų105128.2 Ų128.273%0.73466%0.66SS**THydrogen-bonded Turntrans-84.3-16.6-166.976.40000115.6D126D126-S128 PolarHBondContact O-N 3.16Å; D126-S128 VanDerWaalsContact O-N 3.16Å
129T57.1Low66.9Low64 Ų64124.1 Ų124.139%0.39364%0.644SS.*SBendtrans-97.9118.6178.256.20000110.5L131T129-L131 PolarHBondContact O-N 3.38Å
130P57.4Low66.8Low120 Ų120123 Ų12378%0.77965%0.652SS**  trans-75.766.517434-33.2000108.7
131L60.2Low66.6Low152 Ų152121.7 Ų121.780%0.79664%0.642SS**  trans-110.744.9165.6-15277.5000107.8T129 D133T129-L131 PolarHBondContact O-N 3.38Å; L131-D133 PolarHBondContact O-N 2.8Å
132H59.7Low66.3Low147 Ų147117.9 Ų117.968%0.68161%0.614SS**  trans-67.4117.4166.2-74.1-61.1000107A134H132-A134 VanDerWaalsContact C-N 3.28Å; H132-A134 PolarHBondContact O-N 3.41Å
133D64.3Low65.6Low92 Ų92114.7 Ų114.749%0.49261%0.605SS.*  trans-62.594.1169-175.54.4000108.2L131 S135 W136L131-D133 PolarHBondContact O-N 2.8Å; D133-S135 PolarHBondContact O-N 3.17Å; D133-S135 VanDerWaalsContact OD1-CB 3.23Å; D133-S135 WeakPolarHBondContact OD1-CB 3.47Å; D133-S135 PolarHBondContact OD1-N 3.42Å; D133-S135 PolarHBondContact OD1-OG 2.93Å; D133-S135 PolarHBondContact OD2-OG 3.24Å; D133-S135 VanDerWaalsContact OD2-OG 3.05Å; D133-W136 PolarHBondContact O-N 2.86Å; D133-W136 VanDerWaalsContact O-N 3.16Å; D133-W136 PolarHBondContact OD2-NE1 3.19Å
134A68.9Low65.1Low50 Ų50109.4 Ų109.441%0.41359%0.591SS.*G310 helixtrans-60.2-17.6-178.300000111.8H132 W136 F137 T138H132-A134 VanDerWaalsContact C-N 3.28Å; H132-A134 PolarHBondContact O-N 3.41Å; A134-W136 PolarHBondContact O-N 3.16Å; A134-F137 PolarHBondContact O-N 3.49Å; A134-F137 VanDerWaalsContact O-N 3.11Å; A134-T138 PolarHBondContact O-N 3.4Å; A134-T138 VanDerWaalsContact O-N 3.1Å; A134-T138 PolarHBondContact O-OG1 2.82Å
135S72.1Confident64.7Low73 Ų73106.6 Ų106.651%0.5158%0.581SS.*G310 helixtrans-59.8-28.9176.475.20000112.7D133 F137 T138D133-S135 PolarHBondContact O-N 3.17Å; D133-S135 VanDerWaalsContact OD1-CB 3.23Å; D133-S135 WeakPolarHBondContact OD1-CB 3.47Å; D133-S135 PolarHBondContact OD1-N 3.42Å; D133-S135 PolarHBondContact OD1-OG 2.93Å; D133-S135 PolarHBondContact OD2-OG 3.24Å; D133-S135 VanDerWaalsContact OD2-OG 3.05Å; S135-F137 VanDerWaalsContact C-N 3.3Å; S135-F137 PolarHBondContact O-N 2.87Å; S135-T138 PolarHBondContact O-N 3.44Å
136W70.9Confident63.9Low214 Ų214102.7 Ų102.781%0.81156%0.563SS**G310 helixtrans-69.3-25.5177-79.575.6000114D133 A134D133-W136 PolarHBondContact O-N 2.86Å; D133-W136 VanDerWaalsContact O-N 3.16Å; D133-W136 PolarHBondContact OD2-NE1 3.19Å; A134-W136 PolarHBondContact O-N 3.16Å
137F73.1Confident63.4Low183 Ų183105.9 Ų105.980%0.80358%0.579SS**THydrogen-bonded Turntrans-105.3-3180-68.2-84.4000112.8A134 S135 S139A134-F137 PolarHBondContact O-N 3.49Å; A134-F137 VanDerWaalsContact O-N 3.11Å; S135-F137 VanDerWaalsContact C-N 3.3Å; S135-F137 PolarHBondContact O-N 2.87Å; F137-S139 PolarHBondContact O-N 3.01Å
138T65.7Low63Low30 Ų30102.4 Ų102.418%0.18456%0.561CS.*  trans-84.5108.2-179.6-580000108.7A134 S135 D142 Q146A134-T138 PolarHBondContact O-N 3.4Å; A134-T138 VanDerWaalsContact O-N 3.1Å; A134-T138 PolarHBondContact O-OG1 2.82Å; S135-T138 PolarHBondContact O-N 3.44Å; T138-D142 HydrophobicContact CG2-CB 3.56Å; T138-Q146 PolarHBondContact OG1-NE2 3.33Å
139S71.1Confident62.5Low61 Ų61101.4 Ų101.443%0.42755%0.551SS.*  trans-58.1147167.4177.60000108.9F137 S141 D142F137-S139 PolarHBondContact O-N 3.01Å; S139-S141 PolarHBondContact O-N 3.15Å; S139-D142 WeakPolarHBondContact O-CB 3.45Å; S139-D142 PolarHBondContact O-N 2.99Å
140P72.4Confident62.2Low124 Ų124103.8 Ų103.881%0.80557%0.57SS**THydrogen-bonded Turntrans-52.2-21.7173.8-28.235000114D142P140-D142 VanDerWaalsContact C-N 3.32Å
141S70.6Confident61.9Low78 Ų7899.6 Ų99.655%0.54554%0.544SS..THydrogen-bonded Turntrans-78.7-5.9174-60.40000115.3S139 R145S139-S141 PolarHBondContact O-N 3.15Å; S141-R145 PolarHBondContact O-NE 3.44Å; S141-R145 PolarHBondContact O-NH2 3.28Å; S141-R145 VanDerWaalsContact O-NH2 3.1Å
142D64.4Low61.7Low51 Ų51100.1 Ų100.127%0.27354%0.542SS..THydrogen-bonded Turntrans-103.2-10.2177.1-96.3-22.5000113.6T138 S139 P140 S144 R145 Q146T138-D142 HydrophobicContact CG2-CB 3.56Å; S139-D142 WeakPolarHBondContact O-CB 3.45Å; S139-D142 PolarHBondContact O-N 2.99Å; P140-D142 VanDerWaalsContact C-N 3.32Å; D142-S144 VanDerWaalsContact C-N 3.25Å; D142-S144 PolarHBondContact O-N 3.17Å; D142-R145 WeakPolarHBondContact O-CA 3.37Å; D142-R145 WeakPolarHBondContact O-CB 3.28Å; D142-R145 PolarHBondContact O-N 2.88Å; D142-R145 WeakPolarHBondContact OD1-CD 3.39Å; D142-R145 IonicContact OD1-CZ 2.8Å; D142-R145 IonicContact OD1-NE 3.02Å; D142-R145 PolarHBondContact OD1-NE 3.23Å; D142-R145 IonicContact OD1-NH1 2.9Å; D142-R145 PolarHBondContact OD1-NH1 3.12Å; D142-R145 IonicContact OD1-NH2 3.32Å; D142-R145 PolarHBondContact OD1-NH2 3.46Å; D142-Q146 PolarHBondContact O-N 3.41Å; D142-Q146 VanDerWaalsContact O-N 3.09Å
143D60.5Low61.6Low113 Ų11398.4 Ų98.460%0.60454%0.542SS*.Hα-helixtrans-60.4-38.6-179-140.79.9000111.3R145D143-R145 PolarHBondContact O-N 2.99Å
144S58.2Low61.2Low77 Ų7798.2 Ų98.254%0.53854%0.541SS..Hα-helixtrans-68-19.7171.5620000114.2D142 L148D142-S144 VanDerWaalsContact C-N 3.25Å; D142-S144 PolarHBondContact O-N 3.17Å; S144-L148 VanDerWaalsContact O-CD1 3.28Å; S144-L148 WeakPolarHBondContact O-CD1 3.47Å; S144-L148 WeakPolarHBondContact O-CG 3.49Å
145R55.4Low60.7Low89 Ų8999.4 Ų99.434%0.33654%0.538SS..Hα-helixtrans-88.7-30.4-177.9-57.9-168.2-140149.419.9112.2S141 D142 D143 L147 L148 T149 K162S141-R145 PolarHBondContact O-NE 3.44Å; S141-R145 PolarHBondContact O-NH2 3.28Å; S141-R145 VanDerWaalsContact O-NH2 3.1Å; D142-R145 WeakPolarHBondContact O-CA 3.37Å; D142-R145 WeakPolarHBondContact O-CB 3.28Å; D142-R145 PolarHBondContact O-N 2.88Å; D142-R145 WeakPolarHBondContact OD1-CD 3.39Å; D142-R145 IonicContact OD1-CZ 2.8Å; D142-R145 IonicContact OD1-NE 3.02Å; D142-R145 PolarHBondContact OD1-NE 3.23Å; D142-R145 IonicContact OD1-NH1 2.9Å; D142-R145 PolarHBondContact OD1-NH1 3.12Å; D142-R145 IonicContact OD1-NH2 3.32Å; D142-R145 PolarHBondContact OD1-NH2 3.46Å; D143-R145 PolarHBondContact O-N 2.99Å; R145-L147 VanDerWaalsContact C-N 3.31Å; R145-L147 PolarHBondContact O-N 3.07Å; R145-L148 CarbonylContact O-C 3.6Å; R145-L148 WeakPolarHBondContact O-CA 3.38Å; R145-L148 PolarHBondContact O-N 3.06Å; R145-T149 WeakPolarHBondContact O-CG2 3.48Å; R145-T149 PolarHBondContact O-N 2.86Å; R145-T149 VanDerWaalsContact O-N 3.08Å; R145-K162 VanDerWaalsContact NH1-NZ 3.13Å
146Q55Low60.4Low90 Ų9099.5 Ų99.542%0.42154%0.538SS..Hα-helixtrans-63.6-38.1176.3-68-158.49.300111.9T138 D142 L148 T149T138-Q146 PolarHBondContact OG1-NE2 3.33Å; D142-Q146 PolarHBondContact O-N 3.41Å; D142-Q146 VanDerWaalsContact O-N 3.09Å; Q146-L148 PolarHBondContact O-N 3.18Å; Q146-T149 PolarHBondContact O-N 3Å; Q146-T149 PolarHBondContact O-OG1 2.6Å
147L52.3Low60.3Low153 Ų15394.4 Ų94.480%0.80153%0.526SS*.THydrogen-bonded Turntrans-64.2-19.7170.6-71175.5000113.7R145R145-L147 VanDerWaalsContact C-N 3.31Å; R145-L147 PolarHBondContact O-N 3.07Å
148L51.6Low60.2Low84 Ų8491.5 Ų91.544%0.4451%0.513SS..THydrogen-bonded Turntrans-102.41.6-178.6-64.8171.2000113.8S144 R145 Q146 S150 S151S144-L148 VanDerWaalsContact O-CD1 3.28Å; S144-L148 WeakPolarHBondContact O-CD1 3.47Å; S144-L148 WeakPolarHBondContact O-CG 3.49Å; R145-L148 CarbonylContact O-C 3.6Å; R145-L148 WeakPolarHBondContact O-CA 3.38Å; R145-L148 PolarHBondContact O-N 3.06Å; Q146-L148 PolarHBondContact O-N 3.18Å; L148-S150 PolarHBondContact O-N 2.88Å; L148-S151 PolarHBondContact O-N 2.65Å; L148-S151 PolarHBondContact O-OG 3.4Å
149T51.5Low60.6Low84 Ų8494 Ų9452%0.51553%0.526SS..THydrogen-bonded Turntrans-64.5-10.5-178.651.50000114.1R145 Q146 S151R145-T149 WeakPolarHBondContact O-CG2 3.48Å; R145-T149 PolarHBondContact O-N 2.86Å; R145-T149 VanDerWaalsContact O-N 3.08Å; Q146-T149 PolarHBondContact O-N 3Å; Q146-T149 PolarHBondContact O-OG1 2.6Å; T149-S151 PolarHBondContact O-N 3.15Å
150S50.7Low60.8Low115 Ų11594.5 Ų94.580%0.80453%0.526SS*.THydrogen-bonded Turntrans-67.7-7.3164.953.20000114.1L148L148-S150 PolarHBondContact O-N 2.88Å
151S52.3Low61.1Low31 Ų3193.8 Ų93.822%0.21752%0.515CS..  trans-118.265.9-177.567.60000113.1L148 T149 T153 N154L148-S151 PolarHBondContact O-N 2.65Å; L148-S151 PolarHBondContact O-OG 3.4Å; T149-S151 PolarHBondContact O-N 3.15Å; S151-T153 PolarHBondContact O-N 3.06Å; S151-T153 VanDerWaalsContact O-N 3.07Å; S151-N154 PolarHBondContact O-N 3.39Å
152Q56Low61.4Low164 Ų16494.5 Ų94.577%0.76651%0.508SS*.Hα-helixtrans-54.8-27.2-179.7-67.1-178.114.900114
153T56.7Low62.1Low110 Ų110100 Ų10068%0.67553%0.526SS*.Hα-helixtrans-72.3-29.8-178.4550000113.6S151S151-T153 PolarHBondContact O-N 3.06Å; S151-T153 VanDerWaalsContact O-N 3.07Å
154N55.8Low63.1Low88 Ų88100.5 Ų100.547%0.47153%0.525SS..Hα-helixtrans-82.6-17.1-178.2-71.5-45.6000113.4S151S151-N154 PolarHBondContact O-N 3.39Å
155Q57.8Low64.2Low76 Ų76106.5 Ų106.536%0.35554%0.536SS..Hα-helixtrans-71.7-42.4177.2-63.6-168.14.300111.2I157 K158 D159Q155-I157 VanDerWaalsContact C-N 3.33Å; Q155-I157 PolarHBondContact O-N 2.97Å; Q155-K158 PolarHBondContact O-N 3.18Å; Q155-K158 VanDerWaalsContact O-N 3.13Å; Q155-D159 WeakPolarHBondContact O-CB 3.34Å; Q155-D159 VanDerWaalsContact O-CG 3.22Å; Q155-D159 PolarHBondContact O-N 2.84Å
156S66.2Low65.7Low74 Ų74106.6 Ų106.652%0.51754%0.543SS..Hα-helixtrans-56.9-41-179.2-179.30000113.4D159 T160S156-D159 PolarHBondContact O-N 2.81Å; S156-T160 WeakPolarHBondContact O-CB 3.23Å; S156-T160 PolarHBondContact O-N 3.07Å; S156-T160 PolarHBondContact O-OG1 2.98Å
157I70Confident67.4Low107 Ų107104.6 Ų104.655%0.54954%0.536SS..Hα-helixtrans-68.2-44.3179-57.7173.7000110.7Q155 D159 T160 L161Q155-I157 VanDerWaalsContact C-N 3.33Å; Q155-I157 PolarHBondContact O-N 2.97Å; I157-D159 VanDerWaalsContact C-N 3.33Å; I157-D159 PolarHBondContact O-N 2.81Å; I157-T160 PolarHBondContact O-N 2.81Å; I157-L161 HydrophobicContact CG2-CD1 4.46Å; I157-L161 WeakPolarHBondContact O-CG 3.45Å; I157-L161 PolarHBondContact O-N 3.42Å
158K70.2Confident69.3Low123 Ų123100.2 Ų100.254%0.53552%0.522SS..Hα-helixtrans-65-38.7178.3-71.9-179.9-178.9177.60111.5Q155 L161 K162Q155-K158 PolarHBondContact O-N 3.18Å; Q155-K158 VanDerWaalsContact O-N 3.13Å; K158-L161 PolarHBondContact O-N 2.91Å; K158-K162 WeakPolarHBondContact O-CB 3.35Å; K158-K162 WeakPolarHBondContact O-CG 3.37Å; K158-K162 PolarHBondContact O-N 3.36Å
159D74.3Confident71.2Confident83 Ų83102.9 Ų102.944%0.44453%0.527SS..Hα-helixtrans-69.4-37.5177.6-65.9-21.9000111.4Q155 S156 I157 K162 Y163Q155-D159 WeakPolarHBondContact O-CB 3.34Å; Q155-D159 VanDerWaalsContact O-CG 3.22Å; Q155-D159 PolarHBondContact O-N 2.84Å; S156-D159 PolarHBondContact O-N 2.81Å; I157-D159 VanDerWaalsContact C-N 3.33Å; I157-D159 PolarHBondContact O-N 2.81Å; D159-K162 PolarHBondContact O-N 2.68Å; D159-Y163 VanDerWaalsContact O-CB 3.31Å; D159-Y163 WeakPolarHBondContact O-CB 3.45Å; D159-Y163 PolarHBondContact O-N 3.4Å
160T76.1Confident73.1Confident70 Ų70103.3 Ų103.343%0.42953%0.527SS..Hα-helixtrans-63.4-43.8173.8-56.10000111.7S156 I157 Y163 Q164S156-T160 WeakPolarHBondContact O-CB 3.23Å; S156-T160 PolarHBondContact O-N 3.07Å; S156-T160 PolarHBondContact O-OG1 2.98Å; I157-T160 PolarHBondContact O-N 2.81Å; T160-Y163 PolarHBondContact O-N 2.89Å; T160-Q164 WeakPolarHBondContact O-CG 3.48Å; T160-Q164 PolarHBondContact O-N 3.48Å
161L77Confident75.2Confident109 Ų109103.4 Ų103.457%0.57151%0.514SS*.Hα-helixtrans-67.2-39.2176.8-70177.1000112.3I157 K158 Q164 R165I157-L161 HydrophobicContact CG2-CD1 4.46Å; I157-L161 WeakPolarHBondContact O-CG 3.45Å; I157-L161 PolarHBondContact O-N 3.42Å; K158-L161 PolarHBondContact O-N 2.91Å; L161-Q164 PolarHBondContact O-N 3.15Å; L161-R165 PolarHBondContact O-N 2.94Å
162K77.2Confident77.3Confident94 Ų94108.3 Ų108.341%0.40953%0.532SS..Hα-helixtrans-61.8-44.8172.5-77178.7179.8-177.10111.3R145 K158 D159 R165 N166R145-K162 VanDerWaalsContact NH1-NZ 3.13Å; K158-K162 WeakPolarHBondContact O-CB 3.35Å; K158-K162 WeakPolarHBondContact O-CG 3.37Å; K158-K162 PolarHBondContact O-N 3.36Å; D159-K162 PolarHBondContact O-N 2.68Å; K162-R165 PolarHBondContact O-N 3.42Å; K162-N166 PolarHBondContact O-N 2.87Å; K162-N166 PolarHBondContact O-ND2 2.68Å
163Y79.1Confident79Confident166 Ų166103.7 Ų103.765%0.65151%0.511SS*.Hα-helixtrans-60.2-47.6177.1-175.2-98.2000111.5D159 T160 R165 N166 V167D159-Y163 VanDerWaalsContact O-CB 3.31Å; D159-Y163 WeakPolarHBondContact O-CB 3.45Å; D159-Y163 PolarHBondContact O-N 3.4Å; T160-Y163 PolarHBondContact O-N 2.89Å; Y163-R165 VanDerWaalsContact C-N 3.33Å; Y163-R165 PolarHBondContact O-N 3.35Å; Y163-N166 PolarHBondContact O-N 3.19Å; Y163-V167 HydrophobicContact CD1-CG2 3.97Å; Y163-V167 HydrophobicContact CE1-CG2 3.64Å; Y163-V167 HydrophobicContact CE2-CG2 4.45Å; Y163-V167 VanDerWaalsContact O-CG2 3.28Å; Y163-V167 WeakPolarHBondContact O-CG2 3.32Å; Y163-V167 PolarHBondContact O-N 2.9Å
164Q82.5Confident80.7Confident123 Ų123101.4 Ų101.458%0.57550%0.503SS*.Hα-helixtrans-59.4-40.6176.4-74.6-171.239.200112.9T160 L161 V167 A168T160-Q164 WeakPolarHBondContact O-CG 3.48Å; T160-Q164 PolarHBondContact O-N 3.48Å; L161-Q164 PolarHBondContact O-N 3.15Å; Q164-V167 PolarHBondContact O-N 2.96Å; Q164-A168 PolarHBondContact O-N 3.2Å
165R81.2Confident82.5Confident204 Ų204103.8 Ų103.877%0.7751%0.51SS*.Hα-helixtrans-64.9-41.6176.3-169.1-178.2-179.1101.8-1.8111.9L161 K162 Y163 A168 Y169L161-R165 PolarHBondContact O-N 2.94Å; K162-R165 PolarHBondContact O-N 3.42Å; Y163-R165 VanDerWaalsContact C-N 3.33Å; Y163-R165 PolarHBondContact O-N 3.35Å; R165-A168 PolarHBondContact O-N 2.94Å; R165-Y169 PolarHBondContact O-N 3.47Å
166N87Confident84.1Confident91 Ų91104 Ų10449%0.48751%0.513SS..Hα-helixtrans-65.1-42.4177.3-67.9-13.8000111.1K162 Y163 A168 Y169 D170K162-N166 PolarHBondContact O-N 2.87Å; K162-N166 PolarHBondContact O-ND2 2.68Å; Y163-N166 PolarHBondContact O-N 3.19Å; N166-A168 VanDerWaalsContact C-N 3.34Å; N166-A168 PolarHBondContact O-N 3.41Å; N166-Y169 WeakPolarHBondContact O-CB 3.44Å; N166-Y169 PolarHBondContact O-N 3.33Å; N166-Y169 VanDerWaalsContact O-N 3.12Å; N166-D170 WeakPolarHBondContact O-CB 3.35Å; N166-D170 PolarHBondContact O-N 2.83Å
167V90.8Very high85.1Confident47 Ų47103.4 Ų103.429%0.28551%0.512SS..Hα-helixtrans-58.3-43.6177.2171.50000111.9Y163 Q164 D170 Q171Y163-V167 HydrophobicContact CD1-CG2 3.97Å; Y163-V167 HydrophobicContact CE1-CG2 3.64Å; Y163-V167 HydrophobicContact CE2-CG2 4.45Å; Y163-V167 VanDerWaalsContact O-CG2 3.28Å; Y163-V167 WeakPolarHBondContact O-CG2 3.32Å; Y163-V167 PolarHBondContact O-N 2.9Å; Q164-V167 PolarHBondContact O-N 2.96Å; V167-D170 PolarHBondContact O-N 3.41Å; V167-Q171 VanDerWaalsContact O-CG 3.29Å; V167-Q171 WeakPolarHBondContact O-CG 3.05Å; V167-Q171 PolarHBondContact O-N 3.14Å
168A91.4Very high85.9Confident61 Ų61101 Ų10150%0.50450%0.504SS..Hα-helixtrans-65.6-38.2177.500000112.6Q164 R165 N166 K172Q164-A168 PolarHBondContact O-N 3.2Å; R165-A168 PolarHBondContact O-N 2.94Å; N166-A168 VanDerWaalsContact C-N 3.34Å; N166-A168 PolarHBondContact O-N 3.41Å; A168-K172 PolarHBondContact O-N 2.95Å
169Y90.7Very high86.6Confident140 Ų14099.9 Ų99.955%0.54950%0.504SS..Hα-helixtrans-65.6-46.4174.7-177.9-95000111.3R165 N166 Q171 K172 M173R165-Y169 PolarHBondContact O-N 3.47Å; N166-Y169 WeakPolarHBondContact O-CB 3.44Å; N166-Y169 PolarHBondContact O-N 3.33Å; N166-Y169 VanDerWaalsContact O-N 3.12Å; Y169-Q171 VanDerWaalsContact C-N 3.34Å; Y169-Q171 PolarHBondContact O-N 2.88Å; Y169-K172 WeakPolarHBondContact O-CA 3.19Å; Y169-K172 WeakPolarHBondContact O-CB 3.25Å; Y169-K172 PolarHBondContact O-N 3.13Å; Y169-M173 HydrophobicContact CD1-CG 3.82Å; Y169-M173 HydrophobicContact CD2-CE 4.33Å; Y169-M173 HydrophobicContact CE1-CE 4.42Å; Y169-M173 HydrophobicContact CE1-CG 3.43Å; Y169-M173 VanDerWaalsContact CE1-CG 3.43Å; Y169-M173 HydrophobicContact CE1-SD 4.05Å; Y169-M173 HydrophobicContact CE2-CE 3.81Å; Y169-M173 HydrophobicContact CE2-CG 4.47Å; Y169-M173 HydrophobicContact CE2-SD 4.37Å; Y169-M173 HydrophobicContact CG-CG 4.48Å; Y169-M173 WeakPolarHBondContact O-CG 3.44Å; Y169-M173 PolarHBondContact O-N 2.99Å
170D93.1Very high86.8Confident94 Ų9498.2 Ų98.250%0.50350%0.499SS..Hα-helixtrans-62.4-40.1179.9-67-17.2000111.5N166 V167 K172 M173 A174N166-D170 WeakPolarHBondContact O-CB 3.35Å; N166-D170 PolarHBondContact O-N 2.83Å; V167-D170 PolarHBondContact O-N 3.41Å; D170-K172 VanDerWaalsContact C-N 3.34Å; D170-K172 PolarHBondContact O-N 3.21Å; D170-M173 PolarHBondContact O-N 3.46Å; D170-A174 WeakPolarHBondContact O-CB 3.35Å; D170-A174 PolarHBondContact O-N 3.09Å
171Q95Very high86.7Confident116 Ų116100.1 Ų100.154%0.54250%0.503SS..Hα-helixtrans-62-39.6172.8-73.9177.715.600112.5V167 Y169 K175V167-Q171 VanDerWaalsContact O-CG 3.29Å; V167-Q171 WeakPolarHBondContact O-CG 3.05Å; V167-Q171 PolarHBondContact O-N 3.14Å; Y169-Q171 VanDerWaalsContact C-N 3.34Å; Y169-Q171 PolarHBondContact O-N 2.88Å; Q171-K175 WeakPolarHBondContact O-CG 3.33Å; Q171-K175 PolarHBondContact O-N 3.03Å; Q171-K175 VanDerWaalsContact O-N 3.12Å
172K94.6Very high86.4Confident135 Ų135100 Ų10059%0.58750%0.502SS*.Hα-helixtrans-66-42.9175.2-173.4-178.3177.8-179.30110.9A168 Y169 D170 K175 I176A168-K172 PolarHBondContact O-N 2.95Å; Y169-K172 WeakPolarHBondContact O-CA 3.19Å; Y169-K172 WeakPolarHBondContact O-CB 3.25Å; Y169-K172 PolarHBondContact O-N 3.13Å; D170-K172 VanDerWaalsContact C-N 3.34Å; D170-K172 PolarHBondContact O-N 3.21Å; K172-K175 PolarHBondContact O-N 3.36Å; K172-I176 HydrophobicContact CG-CD1 4.36Å; K172-I176 WeakPolarHBondContact O-CG1 3.29Å; K172-I176 PolarHBondContact O-N 3.14Å; K172-I176 VanDerWaalsContact O-N 3.14Å
173M92.6Very high85.7Confident66 Ų6698.5 Ų98.533%0.32550%0.503SS..Hα-helixtrans-64.5-40.3177.2-66.9-54.3106.100111.7Y169 D170 K175 I176 A177Y169-M173 HydrophobicContact CD1-CG 3.82Å; Y169-M173 HydrophobicContact CD2-CE 4.33Å; Y169-M173 HydrophobicContact CE1-CE 4.42Å; Y169-M173 HydrophobicContact CE1-CG 3.43Å; Y169-M173 VanDerWaalsContact CE1-CG 3.43Å; Y169-M173 HydrophobicContact CE1-SD 4.05Å; Y169-M173 HydrophobicContact CE2-CE 3.81Å; Y169-M173 HydrophobicContact CE2-CG 4.47Å; Y169-M173 HydrophobicContact CE2-SD 4.37Å; Y169-M173 HydrophobicContact CG-CG 4.48Å; Y169-M173 WeakPolarHBondContact O-CG 3.44Å; Y169-M173 PolarHBondContact O-N 2.99Å; D170-M173 PolarHBondContact O-N 3.46Å; M173-K175 PolarHBondContact O-N 2.92Å; M173-I176 HydrophobicContact CE-CD1 3.76Å; M173-I176 PolarHBondContact O-N 3.31Å; M173-I176 HydrophobicContact SD-CD1 4.38Å; M173-A177 PolarHBondContact O-N 3.21Å
174A92.8Very high84.8Confident62 Ų6297.4 Ų97.451%0.51250%0.501SS..Hα-helixtrans-62-41.8176.200000112.4D170 A177 S178D170-A174 WeakPolarHBondContact O-CB 3.35Å; D170-A174 PolarHBondContact O-N 3.09Å; A174-A177 PolarHBondContact O-N 2.87Å; A174-S178 PolarHBondContact O-N 3.49Å; A174-S178 PolarHBondContact O-OG 3.11Å
175K94.2Very high83.5Confident139 Ų13998.9 Ų98.960%0.60451%0.508SS*.Hα-helixtrans-62-44.1174.5-72.2176.2-178.5-178.80112.2Q171 K172 M173 A177 S178 D179Q171-K175 WeakPolarHBondContact O-CG 3.33Å; Q171-K175 PolarHBondContact O-N 3.03Å; Q171-K175 VanDerWaalsContact O-N 3.12Å; K172-K175 PolarHBondContact O-N 3.36Å; M173-K175 PolarHBondContact O-N 2.92Å; K175-A177 VanDerWaalsContact C-N 3.3Å; K175-A177 PolarHBondContact O-N 3.41Å; K175-S178 WeakPolarHBondContact CA-OG 3.48Å; K175-S178 PolarHBondContact O-N 3.03Å; K175-S178 PolarHBondContact O-OG 3.45Å; K175-D179 WeakPolarHBondContact O-CB 3.24Å; K175-D179 PolarHBondContact O-N 3.07Å
176I89.8Confident82.8Confident81 Ų8196.9 Ų96.942%0.41551%0.505SS..Hα-helixtrans-62.1-40.8176.1-64.9165.4000110.6K172 M173 D179 C180K172-I176 HydrophobicContact CG-CD1 4.36Å; K172-I176 WeakPolarHBondContact O-CG1 3.29Å; K172-I176 PolarHBondContact O-N 3.14Å; K172-I176 VanDerWaalsContact O-N 3.14Å; M173-I176 HydrophobicContact CE-CD1 3.76Å; M173-I176 PolarHBondContact O-N 3.31Å; M173-I176 HydrophobicContact SD-CD1 4.38Å; I176-D179 PolarHBondContact O-N 3.49Å; I176-C180 WeakPolarHBondContact O-CB 3.07Å; I176-C180 PolarHBondContact O-N 2.98Å; I176-C180 PolarHBondContact O-SG 2.95Å
177A87.7Confident82Confident61 Ų6194.2 Ų94.250%0.50449%0.493SS..Hα-helixtrans-65.2-41.9177.700000112.4M173 A174 K175 C180 Q181M173-A177 PolarHBondContact O-N 3.21Å; A174-A177 PolarHBondContact O-N 2.87Å; K175-A177 VanDerWaalsContact C-N 3.3Å; K175-A177 PolarHBondContact O-N 3.41Å; A177-C180 PolarHBondContact O-N 3.1Å; A177-Q181 PolarHBondContact O-N 3.22Å
178S87.1Confident81.5Confident56 Ų5694.9 Ų94.939%0.39250%0.501SS..Hα-helixtrans-65.2-42.7175.4580000112.2A174 K175 C180 Q181 I182A174-S178 PolarHBondContact O-N 3.49Å; A174-S178 PolarHBondContact O-OG 3.11Å; K175-S178 WeakPolarHBondContact CA-OG 3.48Å; K175-S178 PolarHBondContact O-N 3.03Å; K175-S178 PolarHBondContact O-OG 3.45Å; S178-C180 VanDerWaalsContact C-N 3.31Å; S178-C180 PolarHBondContact O-N 3.34Å; S178-Q181 WeakPolarHBondContact O-CB 3.37Å; S178-Q181 PolarHBondContact O-N 3.18Å; S178-Q181 VanDerWaalsContact O-N 3.07Å; S178-I182 WeakPolarHBondContact O-CG1 3.36Å; S178-I182 PolarHBondContact O-N 3.08Å
179D85.5Confident81.1Confident99 Ų9998.8 Ų98.853%0.52951%0.512SS..Hα-helixtrans-63.6-40.4178.4-67.6-12.7000111.1K175 I176 Q181 I182 S183K175-D179 WeakPolarHBondContact O-CB 3.24Å; K175-D179 PolarHBondContact O-N 3.07Å; I176-D179 PolarHBondContact O-N 3.49Å; D179-Q181 VanDerWaalsContact C-N 3.31Å; D179-Q181 PolarHBondContact O-N 3.44Å; D179-I182 PolarHBondContact O-N 3.26Å; D179-S183 WeakPolarHBondContact O-CB 3.34Å; D179-S183 PolarHBondContact O-N 3.49Å; D179-S183 PolarHBondContact O-OG 2.95Å
180C77.7Confident81Confident49 Ų4998 Ų9833%0.33152%0.516SS..Hα-helixtrans-64.1-35.8173.3-740000112.1I176 A177 S178 S183 K184I176-C180 WeakPolarHBondContact O-CB 3.07Å; I176-C180 PolarHBondContact O-N 2.98Å; I176-C180 PolarHBondContact O-SG 2.95Å; A177-C180 PolarHBondContact O-N 3.1Å; S178-C180 VanDerWaalsContact C-N 3.31Å; S178-C180 PolarHBondContact O-N 3.34Å; C180-S183 WeakPolarHBondContact CA-OG 3.25Å; C180-S183 PolarHBondContact O-OG 3.36Å; C180-K184 WeakPolarHBondContact O-CB 3.35Å; C180-K184 WeakPolarHBondContact O-CD 3.4Å; C180-K184 WeakPolarHBondContact O-CG 3.26Å; C180-K184 PolarHBondContact O-N 3.37Å
181Q74.6Confident80.7Confident110 Ų11098 Ų9851%0.51451%0.514SS..Hα-helixtrans-70-42.1176.9-171.763.45.500111.3A177 S178 D179 S183 K184 Q185A177-Q181 PolarHBondContact O-N 3.22Å; S178-Q181 WeakPolarHBondContact O-CB 3.37Å; S178-Q181 PolarHBondContact O-N 3.18Å; S178-Q181 VanDerWaalsContact O-N 3.07Å; D179-Q181 VanDerWaalsContact C-N 3.31Å; D179-Q181 PolarHBondContact O-N 3.44Å; Q181-S183 VanDerWaalsContact C-N 3.33Å; Q181-S183 PolarHBondContact O-N 3.35Å; Q181-K184 PolarHBondContact O-N 3.09Å; Q181-Q185 WeakPolarHBondContact O-CG 3.35Å; Q181-Q185 PolarHBondContact O-N 3.28Å
182I69.1Low80.3Confident107 Ų10796.9 Ų96.955%0.54951%0.511SS..Hα-helixtrans-63.3-41.4175.1-63162.2000110.2S178 D179 Q185S178-I182 WeakPolarHBondContact O-CG1 3.36Å; S178-I182 PolarHBondContact O-N 3.08Å; D179-I182 PolarHBondContact O-N 3.26Å; I182-Q185 PolarHBondContact O-N 3.49Å
183S63.9Low80.3Confident61 Ų6195.4 Ų95.443%0.42751%0.506SS..Hα-helixtrans-69.9-34176.274.20000112.6D179 C180 Q181 Q185 K186D179-S183 WeakPolarHBondContact O-CB 3.34Å; D179-S183 PolarHBondContact O-N 3.49Å; D179-S183 PolarHBondContact O-OG 2.95Å; C180-S183 WeakPolarHBondContact CA-OG 3.25Å; C180-S183 PolarHBondContact O-OG 3.36Å; Q181-S183 VanDerWaalsContact C-N 3.33Å; Q181-S183 PolarHBondContact O-N 3.35Å; S183-Q185 VanDerWaalsContact C-N 3.32Å; S183-K186 VanDerWaalsContact O-CB 3.25Å; S183-K186 WeakPolarHBondContact O-CB 3.4Å; S183-K186 PolarHBondContact O-N 3.33Å; S183-K186 VanDerWaalsContact O-N 3.14Å
184K58.6Low80.3Confident144 Ų14497 Ų9763%0.62651%0.513SS*.Hα-helixtrans-72.5-22.7174.3-74.3167.7-173.3179.20112.9C180 Q181 K186C180-K184 WeakPolarHBondContact O-CB 3.35Å; C180-K184 WeakPolarHBondContact O-CD 3.4Å; C180-K184 WeakPolarHBondContact O-CG 3.26Å; C180-K184 PolarHBondContact O-N 3.37Å; Q181-K184 PolarHBondContact O-N 3.09Å; K184-K186 PolarHBondContact O-N 3.06Å
185Q56.8Low80.2Confident153 Ų15397.6 Ų97.672%0.71551%0.507SS*.THydrogen-bonded Turntrans-71.1-9.1167.6-75.3-160.84.500113.4Q181 I182 S183 S187Q181-Q185 WeakPolarHBondContact O-CG 3.35Å; Q181-Q185 PolarHBondContact O-N 3.28Å; I182-Q185 PolarHBondContact O-N 3.49Å; S183-Q185 VanDerWaalsContact C-N 3.32Å; Q185-S187 PolarHBondContact O-N 3.32Å
186K65.4Low80.2Confident162 Ų16297.1 Ų97.170%0.70451%0.505SS*.SBendtrans-74.270167-58.7179.3179.8176.60109.3S183 K184S183-K186 VanDerWaalsContact O-CB 3.25Å; S183-K186 WeakPolarHBondContact O-CB 3.4Å; S183-K186 PolarHBondContact O-N 3.33Å; S183-K186 VanDerWaalsContact O-N 3.14Å; K184-K186 PolarHBondContact O-N 3.06Å
187S69.8Low80.3Confident35 Ų3597 Ų9725%0.24551%0.505CS..  trans48.7118.8-178.956.20000115.4Q185 E191 L192Q185-S187 PolarHBondContact O-N 3.32Å; S187-E191 WeakPolarHBondContact CA-OE2 3.39Å; S187-L192 WeakPolarHBondContact OG-CD2 3.46Å; S187-L192 VanDerWaalsContact OG-CG 3.29Å; S187-L192 WeakPolarHBondContact OG-CG 3.34Å
188S81Confident80.6Confident62 Ų6299.4 Ų99.443%0.43450%0.504SS..  trans-48.7148.2170.3171.20000111L190 E191 L192S188-L190 PolarHBondContact O-N 3.28Å; S188-L190 PolarHBondContact OG-N 3.15Å; S188-E191 CarbonylContact O-C 3.41Å; S188-E191 WeakPolarHBondContact O-CA 3.27Å; S188-E191 WeakPolarHBondContact O-CB 3.42Å; S188-E191 PolarHBondContact O-N 2.73Å; S188-L192 PolarHBondContact O-N 3.33Å
189L83.5Confident80.9Confident142 Ų142102.5 Ų102.574%0.74351%0.512SS*.Hα-helixtrans-51.4-35.6175179.762.9000111.7H193L189-H193 WeakPolarHBondContact O-CB 3.36Å; L189-H193 PolarHBondContact O-N 3.28Å
190L87.4Confident81.4Confident123 Ų123103.2 Ų103.264%0.64451%0.51SS*.Hα-helixtrans-65.2-43.8173.7-64.3179.8000111.6S188 H193 E194S188-L190 PolarHBondContact O-N 3.28Å; S188-L190 PolarHBondContact OG-N 3.15Å; L190-H193 CarbonylContact O-C 3.52Å; L190-H193 WeakPolarHBondContact O-CB 3.46Å; L190-H193 PolarHBondContact O-N 2.89Å; L190-E194 WeakPolarHBondContact O-CG 3.38Å; L190-E194 PolarHBondContact O-N 3.46Å
191E86.8Confident82.1Confident95 Ų95106.1 Ų106.144%0.44452%0.522SS..Hα-helixtrans-67.1-40177.6-169.1177.6-17400112.2S187 S188 H193 E194 N195S187-E191 WeakPolarHBondContact CA-OE2 3.39Å; S188-E191 CarbonylContact O-C 3.41Å; S188-E191 WeakPolarHBondContact O-CA 3.27Å; S188-E191 WeakPolarHBondContact O-CB 3.42Å; S188-E191 PolarHBondContact O-N 2.73Å; E191-H193 VanDerWaalsContact C-N 3.28Å; E191-H193 PolarHBondContact O-N 3.44Å; E191-E194 PolarHBondContact O-N 3.44Å; E191-N195 VanDerWaalsContact O-CB 3.26Å; E191-N195 WeakPolarHBondContact O-CB 3.5Å; E191-N195 PolarHBondContact O-N 3.38Å; E191-N195 PolarHBondContact O-ND2 3.14Å
192L88.1Confident82.9Confident92 Ų92108.3 Ų108.348%0.48253%0.53SS..Hα-helixtrans-57.9-43169.7-75.9176.4000111.2S187 S188 K196S187-L192 WeakPolarHBondContact OG-CD2 3.46Å; S187-L192 VanDerWaalsContact OG-CG 3.29Å; S187-L192 WeakPolarHBondContact OG-CG 3.34Å; S188-L192 PolarHBondContact O-N 3.33Å; L192-K196 VanDerWaalsContact O-CB 3.27Å; L192-K196 WeakPolarHBondContact O-CB 3.36Å; L192-K196 PolarHBondContact O-N 3.46Å
193H93.5Very high84.1Confident105 Ų105108.7 Ų108.749%0.48653%0.527SS..Hα-helixtrans-66.5-46.2178-179.4-109.7000111.9L189 L190 E191 N195 K196 L197L189-H193 WeakPolarHBondContact O-CB 3.36Å; L189-H193 PolarHBondContact O-N 3.28Å; L190-H193 CarbonylContact O-C 3.52Å; L190-H193 WeakPolarHBondContact O-CB 3.46Å; L190-H193 PolarHBondContact O-N 2.89Å; E191-H193 VanDerWaalsContact C-N 3.28Å; E191-H193 PolarHBondContact O-N 3.44Å; H193-N195 PolarHBondContact O-N 3.04Å; H193-K196 WeakPolarHBondContact O-CB 3.43Å; H193-K196 PolarHBondContact O-N 3.44Å; H193-L197 WeakPolarHBondContact O-CG 3.44Å; H193-L197 PolarHBondContact O-N 3.43Å
194E92.1Very high85.3Confident100 Ų100112.5 Ų112.547%0.46754%0.536SS..Hα-helixtrans-59.7-45.8175.2-75.1-178.8-16300112L190 E191 K196 L197 K198L190-E194 WeakPolarHBondContact O-CG 3.38Å; L190-E194 PolarHBondContact O-N 3.46Å; E191-E194 PolarHBondContact O-N 3.44Å; E194-K196 VanDerWaalsContact C-N 3.29Å; E194-K196 PolarHBondContact O-N 3.08Å; E194-L197 WeakPolarHBondContact O-CB 3.49Å; E194-L197 PolarHBondContact O-N 3.27Å; E194-L197 VanDerWaalsContact O-N 3.14Å; E194-K198 WeakPolarHBondContact O-CG 3.49Å; E194-K198 PolarHBondContact O-N 2.92Å; E194-K198 IonicContact OE2-NZ 3.53Å
195N90.9Very high86.7Confident74 Ų74115 Ų11540%0.39654%0.542SS..Hα-helixtrans-61.9-39.4176.3-73.8-21.8000111.2E191 H193 K198 H199E191-N195 VanDerWaalsContact O-CB 3.26Å; E191-N195 WeakPolarHBondContact O-CB 3.5Å; E191-N195 PolarHBondContact O-N 3.38Å; E191-N195 PolarHBondContact O-ND2 3.14Å; H193-N195 PolarHBondContact O-N 3.04Å; N195-K198 PolarHBondContact O-N 2.8Å; N195-H199 WeakPolarHBondContact O-CB 3.23Å; N195-H199 PolarHBondContact O-N 3.4Å
196K94.9Very high88.2Confident128 Ų128112.5 Ų112.556%0.55753%0.53SS*.Hα-helixtrans-63.5-40.2173.3-169.6174.1-172.9174.10111.9L192 H193 E194 K200L192-K196 VanDerWaalsContact O-CB 3.27Å; L192-K196 WeakPolarHBondContact O-CB 3.36Å; L192-K196 PolarHBondContact O-N 3.46Å; H193-K196 WeakPolarHBondContact O-CB 3.43Å; H193-K196 PolarHBondContact O-N 3.44Å; E194-K196 VanDerWaalsContact C-N 3.29Å; E194-K196 PolarHBondContact O-N 3.08Å; K196-K200 WeakPolarHBondContact O-CB 3.46Å; K196-K200 VanDerWaalsContact O-CG 3.25Å; K196-K200 WeakPolarHBondContact O-CG 3.4Å; K196-K200 PolarHBondContact O-N 3.23Å
197L92.6Very high89.1Confident79 Ų79110.9 Ų110.941%0.41452%0.523SS..Hα-helixtrans-65.8-47.1174.5-71.3-179.8000111.7H193 E194 H199 K200 L201H193-L197 WeakPolarHBondContact O-CG 3.44Å; H193-L197 PolarHBondContact O-N 3.43Å; E194-L197 WeakPolarHBondContact O-CB 3.49Å; E194-L197 PolarHBondContact O-N 3.27Å; E194-L197 VanDerWaalsContact O-N 3.14Å; L197-H199 VanDerWaalsContact C-N 3.34Å; L197-H199 PolarHBondContact O-N 3.34Å; L197-K200 WeakPolarHBondContact O-CB 3.37Å; L197-K200 PolarHBondContact O-N 3.02Å; L197-L201 WeakPolarHBondContact O-CG 3.26Å; L197-L201 PolarHBondContact O-N 3.31Å
198K94.2Very high89.6Confident112 Ų112115.9 Ų115.949%0.48754%0.54SS..Hα-helixtrans-57.5-45.2175.9-71170.1-174.3166.20111.3E194 N195 L201 K202E194-K198 WeakPolarHBondContact O-CG 3.49Å; E194-K198 PolarHBondContact O-N 2.92Å; E194-K198 IonicContact OE2-NZ 3.53Å; N195-K198 PolarHBondContact O-N 2.8Å; K198-L201 PolarHBondContact O-N 3.09Å; K198-K202 WeakPolarHBondContact O-CG 3.49Å; K198-K202 PolarHBondContact O-N 3.5Å
199H93.5Very high89.5Confident121 Ų121116.2 Ų116.256%0.5654%0.543SS*.Hα-helixtrans-64.3-43.2176.2-178.7-102.8000112.3N195 L197 L201 K202 K203N195-H199 WeakPolarHBondContact O-CB 3.23Å; N195-H199 PolarHBondContact O-N 3.4Å; L197-H199 VanDerWaalsContact C-N 3.34Å; L197-H199 PolarHBondContact O-N 3.34Å; H199-L201 VanDerWaalsContact C-N 3.33Å; H199-L201 PolarHBondContact O-N 3.25Å; H199-K202 PolarHBondContact O-N 3.07Å; H199-K203 WeakPolarHBondContact O-CB 3.34Å; H199-K203 PolarHBondContact O-N 3.4Å
200K94Very high89.2Confident114 Ų114115.1 Ų115.150%0.49653%0.532SS..Hα-helixtrans-59.2-42174.1-78.2176.3176.5-175.80111.9K196 L197 K204K196-K200 WeakPolarHBondContact O-CB 3.46Å; K196-K200 VanDerWaalsContact O-CG 3.25Å; K196-K200 WeakPolarHBondContact O-CG 3.4Å; K196-K200 PolarHBondContact O-N 3.23Å; L197-K200 WeakPolarHBondContact O-CB 3.37Å; L197-K200 PolarHBondContact O-N 3.02Å; K200-K204 WeakPolarHBondContact O-CG 3.32Å; K200-K204 PolarHBondContact O-N 3.29Å
201L92.5Very high88.3Confident109 Ų109116.3 Ų116.357%0.57153%0.532SS*.Hα-helixtrans-66-46.5177-70.9174.2000112L197 K198 H199 K203 K204 R205L197-L201 WeakPolarHBondContact O-CG 3.26Å; L197-L201 PolarHBondContact O-N 3.31Å; K198-L201 PolarHBondContact O-N 3.09Å; H199-L201 VanDerWaalsContact C-N 3.33Å; H199-L201 PolarHBondContact O-N 3.25Å; L201-K203 PolarHBondContact O-N 3.22Å; L201-K204 PolarHBondContact O-N 3.32Å; L201-R205 WeakPolarHBondContact O-CG 3.28Å; L201-R205 PolarHBondContact O-N 3.17Å
202K92.8Very high87Confident156 Ų156118 Ų11868%0.67854%0.54SS*.Hα-helixtrans-56.7-48.5174.8-75-178177.7-177.20111.5K198 H199 K204 R205 E206K198-K202 WeakPolarHBondContact O-CG 3.49Å; K198-K202 PolarHBondContact O-N 3.5Å; H199-K202 PolarHBondContact O-N 3.07Å; K202-K204 VanDerWaalsContact C-N 3.33Å; K202-K204 PolarHBondContact O-N 3.37Å; K202-R205 PolarHBondContact O-N 3.04Å; K202-R205 VanDerWaalsContact O-N 3.13Å; K202-E206 PolarHBondContact O-N 3.19Å
203K93.1Very high85.7Confident115 Ų115120.6 Ų120.650%0.555%0.547SS..Hα-helixtrans-60.9-37.4177.1-170.1170.7-174.51700112.8H199 L201 K207H199-K203 WeakPolarHBondContact O-CB 3.34Å; H199-K203 PolarHBondContact O-N 3.4Å; L201-K203 PolarHBondContact O-N 3.22Å; K203-K207 WeakPolarHBondContact O-CG 3Å; K203-K207 PolarHBondContact O-N 3.22Å; K203-K207 VanDerWaalsContact O-N 3.14Å
204K89.6Confident83.9Confident141 Ų141122.1 Ų122.161%0.61355%0.554SS**Hα-helixtrans-66-42.3173.7-78.7-176.1177.7-177.90111.9K200 L201 K202 K207 K208K200-K204 WeakPolarHBondContact O-CG 3.32Å; K200-K204 PolarHBondContact O-N 3.29Å; L201-K204 PolarHBondContact O-N 3.32Å; K202-K204 VanDerWaalsContact C-N 3.33Å; K202-K204 PolarHBondContact O-N 3.37Å; K204-K207 PolarHBondContact O-N 3.49Å; K204-K208 WeakPolarHBondContact O-CG 3.48Å; K204-K208 PolarHBondContact O-N 3.15Å; K204-K208 VanDerWaalsContact O-N 3.09Å
205R88Confident82.3Confident197 Ų197123.2 Ų123.274%0.74356%0.558SS**Hα-helixtrans-64-43.3177.8-68.6177.489.4176.25.3111.8L201 K202 K208 S209L201-R205 WeakPolarHBondContact O-CG 3.28Å; L201-R205 PolarHBondContact O-N 3.17Å; K202-R205 PolarHBondContact O-N 3.04Å; K202-R205 VanDerWaalsContact O-N 3.13Å; R205-K208 PolarHBondContact O-N 2.82Å; R205-S209 PolarHBondContact O-N 3.05Å
206E87.5Confident80.5Confident101 Ų101123.4 Ų123.447%0.47257%0.565SS.*Hα-helixtrans-65.1-40.1177.9-162.8-162.4149.400112.7K202 K208 S209 K210K202-E206 PolarHBondContact O-N 3.19Å; E206-K208 VanDerWaalsContact C-N 3.32Å; E206-K208 PolarHBondContact O-N 3.28Å; E206-S209 PolarHBondContact O-N 3.47Å; E206-S209 PolarHBondContact O-OG 2.93Å; E206-K210 WeakPolarHBondContact O-CG 3.25Å; E206-K210 PolarHBondContact O-N 3.16Å; E206-K210 WeakPolarHBondContact OE1-CE 3.17Å; E206-K210 IonicContact OE1-NZ 3.99Å; E206-K210 PolarHBondContact OE1-NZ 3.03Å
207K85.5Confident78.6Confident128 Ų128124.6 Ų124.656%0.55757%0.57SS**Hα-helixtrans-63.5-38173.2-75.1-178.2177.2-169.30112.2K203 K204 K211K203-K207 WeakPolarHBondContact O-CG 3Å; K203-K207 PolarHBondContact O-N 3.22Å; K203-K207 VanDerWaalsContact O-N 3.14Å; K204-K207 PolarHBondContact O-N 3.49Å; K207-K211 WeakPolarHBondContact O-CG 3.33Å; K207-K211 PolarHBondContact O-N 3.41Å; K207-K211 VanDerWaalsContact O-N 3.11Å
208K80.7Confident76.6Confident139 Ų139127 Ų12760%0.60458%0.579SS**Hα-helixtrans-66.3-45.9176-73.9-178.1178.4-173.40111.1K204 R205 E206 K210 K211 H212K204-K208 WeakPolarHBondContact O-CG 3.48Å; K204-K208 PolarHBondContact O-N 3.15Å; K204-K208 VanDerWaalsContact O-N 3.09Å; R205-K208 PolarHBondContact O-N 2.82Å; E206-K208 VanDerWaalsContact C-N 3.32Å; E206-K208 PolarHBondContact O-N 3.28Å; K208-K210 PolarHBondContact O-N 2.93Å; K208-K211 PolarHBondContact O-N 3.48Å; K208-H212 PolarHBondContact O-CD2 2.8Å; K208-H212 PolarHBondContact O-N 3.49Å
209S77.5Confident74.5Confident70 Ų70127.9 Ų127.949%0.4959%0.585SS.*Hα-helixtrans-63.2-40.4178.8630000112.5R205 E206 K211 H212 K213R205-S209 PolarHBondContact O-N 3.05Å; E206-S209 PolarHBondContact O-N 3.47Å; E206-S209 PolarHBondContact O-OG 2.93Å; S209-K211 PolarHBondContact O-N 3.06Å; S209-H212 PolarHBondContact O-N 3.48Å; S209-K213 PolarHBondContact O-N 3.09Å
210K77.6Confident72.4Confident118 Ų118131 Ų13151%0.51360%0.597SS.*Hα-helixtrans-59.4-44.9172.2-74.2174.1171.5168.50111.8E206 K208 H212 K213 H214E206-K210 WeakPolarHBondContact O-CG 3.25Å; E206-K210 PolarHBondContact O-N 3.16Å; E206-K210 WeakPolarHBondContact OE1-CE 3.17Å; E206-K210 IonicContact OE1-NZ 3.99Å; E206-K210 PolarHBondContact OE1-NZ 3.03Å; K208-K210 PolarHBondContact O-N 2.93Å; K210-H212 PolarHBondContact O-N 2.98Å; K210-K213 PolarHBondContact O-N 3.34Å; K210-H214 PolarHBondContact O-CD2 3.08Å; K210-H214 PolarHBondContact O-N 2.86Å
211K69.8Low70.5Confident148 Ų148136.6 Ų136.664%0.64361%0.614SS**Hα-helixtrans-63-40.6175.8-77.8-175.4177.8-1720113.2K207 K208 S209 K213 H214 K215K207-K211 WeakPolarHBondContact O-CG 3.33Å; K207-K211 PolarHBondContact O-N 3.41Å; K207-K211 VanDerWaalsContact O-N 3.11Å; K208-K211 PolarHBondContact O-N 3.48Å; S209-K211 PolarHBondContact O-N 3.06Å; K211-K213 VanDerWaalsContact C-N 3.29Å; K211-K213 PolarHBondContact O-N 3.08Å; K211-H214 PolarHBondContact O-N 2.9Å; K211-K215 PolarHBondContact O-N 2.84Å; K211-K215 VanDerWaalsContact O-N 3.1Å
212H58.6Low68.6Low131 Ų131139.4 Ų139.461%0.60662%0.622SS**Hα-helixtrans-65.4-32.9176.8-76.2-73000112.4K208 S209 K210 K215 S216K208-H212 PolarHBondContact O-CD2 2.8Å; K208-H212 PolarHBondContact O-N 3.49Å; S209-H212 PolarHBondContact O-N 3.48Å; K210-H212 PolarHBondContact O-N 2.98Å; H212-K215 PolarHBondContact O-N 3.03Å; H212-S216 PolarHBondContact O-N 3.48Å; H212-S216 VanDerWaalsContact O-N 3.08Å; H212-S216 PolarHBondContact O-OG 3.35Å
213K60.9Low66.4Low147 Ų147143.1 Ų143.164%0.63963%0.632SS**Hα-helixtrans-69.5-30.3176.4-162172-175.7175.20113.6S209 K210 K211 S216S209-K213 PolarHBondContact O-N 3.09Å; K210-K213 PolarHBondContact O-N 3.34Å; K211-K213 VanDerWaalsContact C-N 3.29Å; K211-K213 PolarHBondContact O-N 3.08Å; K213-S216 PolarHBondContact O-OG 2.88Å
214H56.5Low64.5Low137 Ų137146.7 Ų146.763%0.63465%0.65SS**Hα-helixtrans-79-39.1173.7-73.7-75.5000112.3K210 K211 K217 E218K210-H214 PolarHBondContact O-CD2 3.08Å; K210-H214 PolarHBondContact O-N 2.86Å; K211-H214 PolarHBondContact O-N 2.9Å; H214-K217 PolarHBondContact O-N 3.21Å; H214-E218 PolarHBondContact O-N 3.21Å
215K57.1Low62.6Low123 Ų123149 Ų14954%0.53566%0.66SS.*Hα-helixtrans-68.5-35178.8-71.1-172.3174.6-167.10113.4K211 H212 K217 E218 H219K211-K215 PolarHBondContact O-N 2.84Å; K211-K215 VanDerWaalsContact O-N 3.1Å; H212-K215 PolarHBondContact O-N 3.03Å; K215-K217 VanDerWaalsContact C-N 3.27Å; K215-K217 PolarHBondContact O-N 3.36Å; K215-E218 PolarHBondContact O-N 3.25Å; K215-H219 PolarHBondContact O-CD2 3.18Å; K215-H219 PolarHBondContact O-N 3.27Å; K215-H219 VanDerWaalsContact O-N 3.08Å
216S52.9Low60.6Low78 Ų78144.6 Ų144.655%0.54566%0.66SS.*Hα-helixtrans-68-25.217763.60000113.4H212 K213H212-S216 PolarHBondContact O-N 3.48Å; H212-S216 VanDerWaalsContact O-N 3.08Å; H212-S216 PolarHBondContact O-OG 3.35Å; K213-S216 PolarHBondContact O-OG 2.88Å
217K55.3Low58.5Low153 Ų153145.8 Ų145.867%0.66568%0.679SS**Hα-helixtrans-77.5-28.9173.1-72.6-175.4176.3-173.70112.9H214 K215H214-K217 PolarHBondContact O-N 3.21Å; K215-K217 VanDerWaalsContact C-N 3.27Å; K215-K217 PolarHBondContact O-N 3.36Å
218E52.1Low57.1Low128 Ų128144 Ų14460%0.59868%0.683SS**Hα-helixtrans-82-35.5-179.4-161.3170.7176.600112.5H214 K215 K220 R221H214-E218 PolarHBondContact O-N 3.21Å; K215-E218 PolarHBondContact O-N 3.25Å; E218-K220 VanDerWaalsContact C-N 3.26Å; E218-K220 PolarHBondContact O-N 2.91Å; E218-R221 PolarHBondContact O-N 3.47Å
219H48.5Very low55.4Low132 Ų132144 Ų14461%0.61170%0.697SS**THydrogen-bonded Turntrans-75.8-4.3178.3-73-67.4000115.2K215K215-H219 PolarHBondContact O-CD2 3.18Å; K215-H219 PolarHBondContact O-N 3.27Å; K215-H219 VanDerWaalsContact O-N 3.08Å
220K51Low54Low187 Ų187145.5 Ų145.581%0.81371%0.708SS**THydrogen-bonded Turntrans-84.3-9.7172.3-158.5170.1-179177.70113.3E218E218-K220 VanDerWaalsContact C-N 3.26Å; E218-K220 PolarHBondContact O-N 2.91Å
221R52.3Low52.4Low231 Ų231146 Ų14687%0.87273%0.726SS**SBendtrans-110.42.4-178.3-71.4-173.6171.5-173.2-3.3115.4E218E218-R221 PolarHBondContact O-N 3.47Å
222K53.1Low51.6Low167 Ų167143.6 Ų143.673%0.72673%0.728SS**  trans-127.715.2-176.6-71.5-165.8175.7-177.90115.5E224K222-E224 VanDerWaalsContact C-N 3.34Å; K222-E224 PolarHBondContact O-N 3.13Å
223R47.7Very low51.4Low234 Ų234142.9 Ų142.988%0.88374%0.735SS**THydrogen-bonded Turntrans-89.859.7175.2-86.6-177.8152.3-171.3-5.8111.6
224E52.2Low50.9Low191 Ų191142 Ų14289%0.89374%0.744SS**THydrogen-bonded Turntrans-146.87.1167.7-76.3-159.2172.900114.8K222K222-E224 VanDerWaalsContact C-N 3.34Å; K222-E224 PolarHBondContact O-N 3.13Å
225K49.1Very low50.8Low188 Ų188140.8 Ų140.882%0.81775%0.751SS**SBendtrans-144.9133.7179.3-135.989.3174.6-178.50111.1
226S47.7Very low50.9Low106 Ų106144.7 Ų144.774%0.74177%0.768SS**  trans67.582.7167.166.20000117.9
227S41.9Very low51.3Low125 Ų125146.1 Ų146.187%0.87478%0.778SS**  trans-77.7106.3141.249.80000109.2
228S57.1Low51.9Low91 Ų91146.6 Ų146.664%0.63679%0.786SS**  trans-159122.4161.738.10000109.9S230S228-S230 PolarHBondContact O-N 2.81Å
229P45.1Very low52.9Low139 Ų139151.8 Ų151.890%0.90380%0.8SS**  trans-85.892.9179.832.3-28000108.9S231P229-S231 PolarHBondContact O-N 3.19Å
230S47.4Very low54.5Low102 Ų102151.5 Ų151.571%0.71379%0.794SS**  trans-90.8101.3172.670.70000111.2S228 S232S228-S230 PolarHBondContact O-N 2.81Å; S230-S232 PolarHBondContact O-N 3.38Å
231S44.2Very low56.1Low128 Ų128147.8 Ų147.890%0.89579%0.789SS**  trans-45.5117.7153.9170.20000109.7P229P229-S231 PolarHBondContact O-N 3.19Å
232S53Low57.7Low97 Ų97143.6 Ų143.668%0.67878%0.777SS**  trans-134.1141.1172.145.60000110.2S230S230-S232 PolarHBondContact O-N 3.38Å
233P53.9Low59.3Low116 Ų116138.2 Ų138.275%0.75376%0.756SS**  trans-73.9164.4-165.832.3-35.7000111.9S235P233-S235 PolarHBondContact O-N 3.16Å
234P51.1Low61.1Low130 Ų130136.2 Ų136.284%0.84475%0.749SS**  trans-70.2106.4-162.229.8-32.7000110.2K236P234-K236 PolarHBondContact O-N 3.1Å
235S53.7Low62.6Low110 Ų110134.4 Ų134.477%0.76974%0.74SS**  trans-61.2128.816856.60000108.9P233 S237P233-S235 PolarHBondContact O-N 3.16Å; S235-S237 PolarHBondContact O-N 2.98Å
236K58.7Low64Low205 Ų205131.6 Ų131.689%0.89173%0.728SS**  trans-39.7108.9-179.6-67.1170.2-179.5175.30110.2P234 I238P234-K236 PolarHBondContact O-N 3.1Å; K236-I238 PolarHBondContact O-N 2.97Å; K236-I238 VanDerWaalsContact O-N 3.1Å
237S61.5Low65.8Low108 Ų108130.1 Ų130.176%0.75571%0.712SS**  trans-68.9111.7-177.848.70000109.2S235 R239S235-S237 PolarHBondContact O-N 2.98Å; S237-R239 PolarHBondContact O-N 3.24Å; S237-R239 VanDerWaalsContact O-N 3.16Å
238I68Low67.7Low164 Ų164129.3 Ų129.384%0.84170%0.697SS**  trans-53.8122.3160.5-73.9163.3000106.4K236 R240K236-I238 PolarHBondContact O-N 2.97Å; K236-I238 VanDerWaalsContact O-N 3.1Å; I238-R240 PolarHBondContact O-N 3.26Å
239R72.9Confident68.7Low237 Ų237131.4 Ų131.489%0.89470%0.697SS**  trans-55.2115.7-176-84.5-178.1172.6-104.11.7109.1S237S237-R239 PolarHBondContact O-N 3.24Å; S237-R239 VanDerWaalsContact O-N 3.16Å
240R83.2Confident69.8Low125 Ų125136 Ų13647%0.47270%0.696SS.*PPolyproline II helixtrans-58137.1170.1-173.2177.385.9121.9-4.9107.9I238 F242 D243 K246 D247I238-R240 PolarHBondContact O-N 3.26Å; R240-F242 PolarHBondContact O-N 3.31Å; R240-D243 IonicContact CZ-OD2 2.93Å; R240-D243 IonicContact NH1-OD2 3.69Å; R240-D243 PolarHBondContact NH1-OD2 3.42Å; R240-D243 IonicContact NH2-OD2 2.92Å; R240-D243 PolarHBondContact NH2-OD2 3.21Å; R240-K246 VanDerWaalsContact NH2-CD 3.29Å; R240-D247 IonicContact NH2-OD1 3.28Å; R240-D247 PolarHBondContact NH2-OD1 3.41Å
241P84.8Confident70.8Confident109 Ų109135.9 Ų135.971%0.70870%0.695SS**PPolyproline II helixtrans-57.4142.2172.523.8-33.4000109.9D243P241-D243 PolarHBondContact O-N 3.47Å
242F86.1Confident72.2Confident144 Ų144141.4 Ų141.463%0.63270%0.697SS**PPolyproline II helixtrans-54.9131.4-177.4-176.4-98.5000111.1R240 R244 D247 L248R240-F242 PolarHBondContact O-N 3.31Å; F242-R244 HydrophobicContact CE1-CB 4.25Å; F242-D247 WeakPolarHBondContact CA-OD2 3.43Å; F242-D247 HydrophobicContact CD2-CB 3.8Å; F242-D247 VanDerWaalsContact CD2-OD2 3.25Å; F242-D247 WeakPolarHBondContact CD2-OD2 3.44Å; F242-D247 HydrophobicContact CE2-CB 3.45Å; F242-D247 VanDerWaalsContact CE2-CB 3.45Å; F242-D247 HydrophobicContact CZ-CB 4.01Å; F242-L248 HydrophobicContact CE1-CD1 4.25Å; F242-L248 HydrophobicContact CZ-CD1 3.85Å; F242-L248 HydrophobicContact CZ-CG 4.29Å
243D85Confident73.2Confident54 Ų54140.1 Ų140.129%0.28968%0.684SS.*  trans-124.2100.7-178-173.3-0.4000108.2R240 P241 E245 K246 D247R240-D243 IonicContact CZ-OD2 2.93Å; R240-D243 IonicContact NH1-OD2 3.69Å; R240-D243 PolarHBondContact NH1-OD2 3.42Å; R240-D243 IonicContact NH2-OD2 2.92Å; R240-D243 PolarHBondContact NH2-OD2 3.21Å; P241-D243 PolarHBondContact O-N 3.47Å; D243-E245 PolarHBondContact O-N 3.28Å; D243-K246 HydrophobicContact CB-CB 4.37Å; D243-K246 PolarHBondContact O-N 3.36Å; D243-D247 PolarHBondContact N-OD2 3.45Å; D243-D247 VanDerWaalsContact O-CB 3.28Å; D243-D247 WeakPolarHBondContact O-CB 3.45Å; D243-D247 VanDerWaalsContact O-CG 3.29Å; D243-D247 PolarHBondContact O-N 3.17Å
244R87.6Confident74.7Confident191 Ų191139.9 Ų139.972%0.72168%0.677SS**Hα-helixtrans-50.3-38.9-172.4-176.4-178.7168.5126.5-3112.7F242 L248F242-R244 HydrophobicContact CE1-CB 4.25Å; R244-L248 HydrophobicContact CG-CD1 3.75Å; R244-L248 VanDerWaalsContact O-CB 3.23Å; R244-L248 WeakPolarHBondContact O-CB 3.49Å; R244-L248 PolarHBondContact O-N 2.97Å; R244-L248 VanDerWaalsContact O-N 3.09Å
245E81.8Confident76.4Confident153 Ų153138.6 Ų138.672%0.71567%0.667SS**Hα-helixtrans-66.8-49.8-179.5-68-174.9-178.900110.9D243 E249D243-E245 PolarHBondContact O-N 3.28Å; E245-E249 WeakPolarHBondContact O-CB 3.16Å; E245-E249 WeakPolarHBondContact O-CG 3.4Å; E245-E249 PolarHBondContact O-N 2.99Å; E245-E249 VanDerWaalsContact O-N 3.09Å
246K80.2Confident78.1Confident129 Ų129136.1 Ų136.156%0.56165%0.653SS**Hα-helixtrans-76.9-31.2-176.7-68.7-172.6171.5-169.70114.4R240 D243R240-K246 VanDerWaalsContact NH2-CD 3.29Å; D243-K246 HydrophobicContact CB-CB 4.37Å; D243-K246 PolarHBondContact O-N 3.36Å
247D85.3Confident79.6Confident76 Ų76128.6 Ų128.641%0.40663%0.629SS.*Hα-helixtrans-95.9-23-170.4-57.7-7.5000111.7R240 F242 D243R240-D247 IonicContact NH2-OD1 3.28Å; R240-D247 PolarHBondContact NH2-OD1 3.41Å; F242-D247 WeakPolarHBondContact CA-OD2 3.43Å; F242-D247 HydrophobicContact CD2-CB 3.8Å; F242-D247 VanDerWaalsContact CD2-OD2 3.25Å; F242-D247 WeakPolarHBondContact CD2-OD2 3.44Å; F242-D247 HydrophobicContact CE2-CB 3.45Å; F242-D247 VanDerWaalsContact CE2-CB 3.45Å; F242-D247 HydrophobicContact CZ-CB 4.01Å; D243-D247 PolarHBondContact N-OD2 3.45Å; D243-D247 VanDerWaalsContact O-CB 3.28Å; D243-D247 WeakPolarHBondContact O-CB 3.45Å; D243-D247 VanDerWaalsContact O-CG 3.29Å; D243-D247 PolarHBondContact O-N 3.17Å
248L80.6Confident81Confident107 Ų107131.6 Ų131.656%0.5662%0.624SS**SBendtrans-102.82.2169.2-88147000113.1F242 R244 R250F242-L248 HydrophobicContact CE1-CD1 4.25Å; F242-L248 HydrophobicContact CZ-CD1 3.85Å; F242-L248 HydrophobicContact CZ-CG 4.29Å; R244-L248 HydrophobicContact CG-CD1 3.75Å; R244-L248 VanDerWaalsContact O-CB 3.23Å; R244-L248 WeakPolarHBondContact O-CB 3.49Å; R244-L248 PolarHBondContact O-N 2.97Å; R244-L248 VanDerWaalsContact O-N 3.09Å; L248-R250 PolarHBondContact O-N 2.99Å
249E77.7Confident82.2Confident136 Ų136131 Ų13164%0.63662%0.615SS**  trans-53.2109.6168.4-109.1166.8-133.500107.9E245 S251E245-E249 WeakPolarHBondContact O-CB 3.16Å; E245-E249 WeakPolarHBondContact O-CG 3.4Å; E245-E249 PolarHBondContact O-N 2.99Å; E245-E249 VanDerWaalsContact O-N 3.09Å; E249-S251 VanDerWaalsContact C-N 3.34Å; E249-S251 PolarHBondContact O-N 3.13Å
250R70.2Confident83.2Confident236 Ų236122.5 Ų122.589%0.89160%0.596SS**  trans-61103.9173.4-76.2-177.8-177.3115.3-1.8106.1L248 R252L248-R250 PolarHBondContact O-N 2.99Å; R250-R252 PolarHBondContact O-N 3.21Å
251S68.3Low83.6Confident99 Ų99121.9 Ų121.969%0.69260%0.6SS**  trans-48.3110.8168.41730000106.8E249 V253E249-S251 VanDerWaalsContact C-N 3.34Å; E249-S251 PolarHBondContact O-N 3.13Å; S251-V253 PolarHBondContact O-N 3.36Å
252R72.8Confident83.9Confident244 Ų244121 Ų12192%0.92159%0.589SS**  trans-69.487.4169.8-75.7-179.5173.7179.4-2.5104.7R250 D254R250-R252 PolarHBondContact O-N 3.21Å; R252-D254 PolarHBondContact O-N 3.5Å
253V73.7Confident84.3Confident69 Ų69120.7 Ų120.742%0.41859%0.589SS.*  trans-56.1125176.3-168.70000106.5S251 T255 A257S251-V253 PolarHBondContact O-N 3.36Å; V253-T255 PolarHBondContact O-N 2.83Å; V253-A257 HydrophobicContact CG1-CB 3.99Å
254D85.1Confident84.7Confident111 Ų111123.7 Ų123.759%0.59460%0.601SS**  trans-53.3136.5178.2-168.48.8000109.3R252 A256 A257 R258R252-D254 PolarHBondContact O-N 3.5Å; D254-A256 PolarHBondContact O-N 2.94Å; D254-A256 VanDerWaalsContact O-N 3.13Å; D254-A257 HydrophobicContact CB-CB 4.44Å; D254-A257 WeakPolarHBondContact O-CB 3.3Å; D254-A257 PolarHBondContact O-N 3.19Å; D254-R258 PolarHBondContact O-N 3.36Å
255T87.2Confident84.9Confident103 Ų103118.1 Ų118.163%0.63259%0.592SS**Hα-helixtrans-59.8-31.9-170.960.80000111.5V253 R258 K259V253-T255 PolarHBondContact O-N 2.83Å; T255-R258 PolarHBondContact O-N 3.38Å; T255-K259 WeakPolarHBondContact O-CG 3.41Å; T255-K259 PolarHBondContact O-N 3.42Å
256A90.2Very high85.2Confident59 Ų59117.3 Ų117.349%0.48859%0.586SS.*Hα-helixtrans-64.1-47.7173.600000112.2D254 R258 K259 A260D254-A256 PolarHBondContact O-N 2.94Å; D254-A256 VanDerWaalsContact O-N 3.13Å; A256-R258 VanDerWaalsContact C-N 3.3Å; A256-R258 PolarHBondContact O-N 3.19Å; A256-K259 PolarHBondContact O-N 2.96Å; A256-A260 PolarHBondContact O-N 3.44Å
257A89Confident85.6Confident46 Ų46117.7 Ų117.738%0.3859%0.587SS.*Hα-helixtrans-62.6-39.4176.700000111.4V253 D254 K259 A260 I261V253-A257 HydrophobicContact CG1-CB 3.99Å; D254-A257 HydrophobicContact CB-CB 4.44Å; D254-A257 WeakPolarHBondContact O-CB 3.3Å; D254-A257 PolarHBondContact O-N 3.19Å; A257-K259 PolarHBondContact O-N 3.29Å; A257-A260 PolarHBondContact O-N 3.43Å; A257-I261 WeakPolarHBondContact O-CG1 3.44Å; A257-I261 PolarHBondContact O-N 3.32Å
258R91Very high85.5Confident172 Ų172117.2 Ų117.265%0.64958%0.584SS**Hα-helixtrans-62-43.3175.4-140.1-179-165.1-156.83.1111.8D254 T255 A256 I262D254-R258 PolarHBondContact O-N 3.36Å; T255-R258 PolarHBondContact O-N 3.38Å; A256-R258 VanDerWaalsContact C-N 3.3Å; A256-R258 PolarHBondContact O-N 3.19Å; R258-I262 WeakPolarHBondContact O-CD1 3.46Å; R258-I262 VanDerWaalsContact O-CG1 3.3Å; R258-I262 WeakPolarHBondContact O-CG1 3.33Å; R258-I262 PolarHBondContact O-N 2.97Å
259K93.3Very high85.5Confident151 Ų151115.6 Ų115.666%0.65758%0.582SS**Hα-helixtrans-64.5-42.3175.3-76.8-178.8177.1-178.30112.1T255 A256 A257 I261 I262 E263T255-K259 WeakPolarHBondContact O-CG 3.41Å; T255-K259 PolarHBondContact O-N 3.42Å; A256-K259 PolarHBondContact O-N 2.96Å; A257-K259 PolarHBondContact O-N 3.29Å; K259-I261 VanDerWaalsContact C-N 3.33Å; K259-I261 PolarHBondContact O-N 3.49Å; K259-I262 PolarHBondContact O-N 2.91Å; K259-E263 WeakPolarHBondContact O-CB 3.49Å; K259-E263 PolarHBondContact O-N 2.91Å
260A93.1Very high85.4Confident59 Ų59113 Ų11349%0.48858%0.579SS.*Hα-helixtrans-61.2-41.1178.500000112.3A256 A257 E263 H264A256-A260 PolarHBondContact O-N 3.44Å; A257-A260 PolarHBondContact O-N 3.43Å; A260-E263 PolarHBondContact O-N 3.07Å; A260-H264 WeakPolarHBondContact O-CB 3.5Å; A260-H264 PolarHBondContact O-N 3.43Å
261I91.7Very high85.5Confident112 Ų112110.6 Ų110.657%0.57457%0.57SS**Hα-helixtrans-63.2-43.2175.4-67.2164.8000110.9A257 K259 H264 S265A257-I261 WeakPolarHBondContact O-CG1 3.44Å; A257-I261 PolarHBondContact O-N 3.32Å; K259-I261 VanDerWaalsContact C-N 3.33Å; K259-I261 PolarHBondContact O-N 3.49Å; I261-H264 PolarHBondContact O-N 2.99Å; I261-S265 PolarHBondContact O-N 2.89Å
262I92.2Very high85.8Confident91 Ų91112.7 Ų112.747%0.46757%0.567SS.*Hα-helixtrans-64.6-45178.5-67.3165.2000111R258 K259 S265 K266R258-I262 WeakPolarHBondContact O-CD1 3.46Å; R258-I262 VanDerWaalsContact O-CG1 3.3Å; R258-I262 WeakPolarHBondContact O-CG1 3.33Å; R258-I262 PolarHBondContact O-N 2.97Å; K259-I262 PolarHBondContact O-N 2.91Å; I262-S265 WeakPolarHBondContact O-CB 3.46Å; I262-S265 PolarHBondContact O-N 3.37Å; I262-K266 WeakPolarHBondContact O-CG 3.39Å; I262-K266 PolarHBondContact O-N 3.1Å
263E93.3Very high85.7Confident136 Ų136103.8 Ų103.864%0.63654%0.542SS*.Hα-helixtrans-55.4-49.9174.1-104.5-86.3143.800111.6K259 A260 S265 K266 K267K259-E263 WeakPolarHBondContact O-CB 3.49Å; K259-E263 PolarHBondContact O-N 2.91Å; A260-E263 PolarHBondContact O-N 3.07Å; E263-S265 VanDerWaalsContact C-N 3.31Å; E263-S265 PolarHBondContact O-N 3.25Å; E263-K266 PolarHBondContact O-N 3.47Å; E263-K267 PolarHBondContact O-N 3.08Å; E263-K267 VanDerWaalsContact O-N 3.08Å
264H93.3Very high85.4Confident118 Ų118109.8 Ų109.855%0.54657%0.565SS.*Hα-helixtrans-60.8-41.5178.1-168.2-100.5000111.7A260 I261 K266 K267 L268A260-H264 WeakPolarHBondContact O-CB 3.5Å; A260-H264 PolarHBondContact O-N 3.43Å; I261-H264 PolarHBondContact O-N 2.99Å; H264-K266 PolarHBondContact O-N 3.41Å; H264-K267 PolarHBondContact O-N 3.3Å; H264-L268 WeakPolarHBondContact O-CG 3.44Å; H264-L268 PolarHBondContact O-N 3.49Å
265S91.8Very high84.5Confident74 Ų74108 Ų10852%0.51757%0.574SS.*Hα-helixtrans-63-40176.7-168.10000112.8I261 I262 E263 K267 L268 S269I261-S265 PolarHBondContact O-N 2.89Å; I262-S265 WeakPolarHBondContact O-CB 3.46Å; I262-S265 PolarHBondContact O-N 3.37Å; E263-S265 VanDerWaalsContact C-N 3.31Å; E263-S265 PolarHBondContact O-N 3.25Å; S265-K267 VanDerWaalsContact C-N 3.33Å; S265-L268 PolarHBondContact O-N 3.06Å; S265-S269 PolarHBondContact O-N 3.4Å; S265-S269 PolarHBondContact O-OG 3.27Å
266K89.8Confident83.1Confident135 Ų135106.3 Ų106.359%0.58757%0.566SS**Hα-helixtrans-63.8-39.1175.9-72.5178.2177.4-174.60112I262 E263 H264 L268 S269 S270I262-K266 WeakPolarHBondContact O-CG 3.39Å; I262-K266 PolarHBondContact O-N 3.1Å; E263-K266 PolarHBondContact O-N 3.47Å; H264-K266 PolarHBondContact O-N 3.41Å; K266-L268 VanDerWaalsContact C-N 3.33Å; K266-S269 WeakPolarHBondContact CA-OG 3.47Å; K266-S269 PolarHBondContact O-N 3.49Å; K266-S269 PolarHBondContact O-OG 2.85Å; K266-S270 PolarHBondContact O-N 2.86Å; K266-S270 VanDerWaalsContact O-N 3.11Å
267K86.9Confident81.7Confident137 Ų137111.3 Ų111.360%0.59658%0.579SS**Hα-helixtrans-64.9-39176.3-167.9167.5-174.4171.70111.6E263 H264 S265 R271E263-K267 PolarHBondContact O-N 3.08Å; E263-K267 VanDerWaalsContact O-N 3.08Å; H264-K267 PolarHBondContact O-N 3.3Å; S265-K267 VanDerWaalsContact C-N 3.33Å; K267-R271 VanDerWaalsContact O-CG 3.32Å; K267-R271 WeakPolarHBondContact O-CG 3.25Å; K267-R271 PolarHBondContact O-N 3.01Å
268L84.9Confident80.4Confident66 Ų66116.6 Ų116.635%0.34660%0.596SS.*Hα-helixtrans-69.5-42.2175.5-65.1173.6000112.1H264 S265 K266 S270 R271 F272H264-L268 WeakPolarHBondContact O-CG 3.44Å; H264-L268 PolarHBondContact O-N 3.49Å; S265-L268 PolarHBondContact O-N 3.06Å; K266-L268 VanDerWaalsContact C-N 3.33Å; L268-S270 PolarHBondContact O-N 3.11Å; L268-R271 PolarHBondContact O-N 3.2Å; L268-F272 HydrophobicContact CB-CD2 4.39Å; L268-F272 HydrophobicContact CD2-CE2 4.06Å; L268-F272 VanDerWaalsContact O-CD2 3.25Å; L268-F272 WeakPolarHBondContact O-CD2 3.25Å; L268-F272 PolarHBondContact O-N 2.94Å
269S80.9Confident78.9Confident74 Ų74118.4 Ų118.452%0.51760%0.604SS.*Hα-helixtrans-61.2-34.5177.8640000112.1S265 K266 S273S265-S269 PolarHBondContact O-N 3.4Å; S265-S269 PolarHBondContact O-OG 3.27Å; K266-S269 WeakPolarHBondContact CA-OG 3.47Å; K266-S269 PolarHBondContact O-N 3.49Å; K266-S269 PolarHBondContact O-OG 2.85Å; S269-S273 WeakPolarHBondContact O-CA 3.32Å; S269-S273 VanDerWaalsContact O-CB 3.25Å; S269-S273 WeakPolarHBondContact O-CB 3.44Å; S269-S273 PolarHBondContact O-N 2.97Å
270S74Confident76.9Confident80 Ų80122.7 Ų122.756%0.55963%0.633SS**Hα-helixtrans-69.6-35.1172.2163.30000113.1K266 L268 S273K266-S270 PolarHBondContact O-N 2.86Å; K266-S270 VanDerWaalsContact O-N 3.11Å; L268-S270 PolarHBondContact O-N 3.11Å; S270-S273 PolarHBondContact O-OG 3.01Å
271R73.7Confident76.1Confident186 Ų186125.9 Ų125.970%0.70264%0.64SS**Hα-helixtrans-74.7-26.7179.1-71.6176.175.4109.21.3113.5K267 L268K267-R271 VanDerWaalsContact O-CG 3.32Å; K267-R271 WeakPolarHBondContact O-CG 3.25Å; K267-R271 PolarHBondContact O-N 3.01Å; L268-R271 PolarHBondContact O-N 3.2Å
272F73.7Confident75.3Confident143 Ų143126.6 Ų126.663%0.62764%0.643SS**SBendtrans-114.19.9-177.8-61.7-70.7000113.1L268 H274L268-F272 HydrophobicContact CB-CD2 4.39Å; L268-F272 HydrophobicContact CD2-CE2 4.06Å; L268-F272 VanDerWaalsContact O-CD2 3.25Å; L268-F272 WeakPolarHBondContact O-CD2 3.25Å; L268-F272 PolarHBondContact O-N 2.94Å; F272-H274 PolarHBondContact O-CE1 3.18Å; F272-H274 PolarHBondContact O-N 3.29Å; F272-H274 PolarHBondContact O-ND1 3.25Å
273S71Confident74.3Confident58 Ų58128.6 Ų128.641%0.40665%0.653SS.*  trans-67.9107.4172.858.50000108.6S269 S270 G275S269-S273 WeakPolarHBondContact O-CA 3.32Å; S269-S273 VanDerWaalsContact O-CB 3.25Å; S269-S273 WeakPolarHBondContact O-CB 3.44Å; S269-S273 PolarHBondContact O-N 2.97Å; S270-S273 PolarHBondContact O-OG 3.01Å; S273-G275 PolarHBondContact O-N 3.19Å
274H67Low73.2Confident194 Ų194128.1 Ų128.190%0.89865%0.654SS**THydrogen-bonded Turntrans-67.498.3173.4-63.965.1000106.6F272F272-H274 PolarHBondContact O-CE1 3.18Å; F272-H274 PolarHBondContact O-N 3.29Å; F272-H274 PolarHBondContact O-ND1 3.25Å
275G65.6Low72Confident75 Ų75128.8 Ų128.877%0.77366%0.661SS**THydrogen-bonded Turntrans152.9-16.917700000116.8S273 Q277S273-G275 PolarHBondContact O-N 3.19Å; G275-Q277 PolarHBondContact O-N 3.13Å
276S58.2Low70.6Confident67 Ų67132.4 Ų132.447%0.46967%0.671SS.*  trans-87.986.3173.166.10000110.2Q278S276-Q278 PolarHBondContact O-N 2.96Å; S276-Q278 VanDerWaalsContact O-N 3.13Å
277Q60.1Low69.3Low164 Ų164132.2 Ų132.277%0.76668%0.677SS**  trans-55.9113.6159.8-97.4173.5-81.100108.2G275G275-Q277 PolarHBondContact O-N 3.13Å
278Q63.8Low67.9Low157 Ų157131.8 Ų131.873%0.73468%0.683SS**  trans-97.713.8174.1-73-75.2-57.200112S276S276-Q278 PolarHBondContact O-N 2.96Å; S276-Q278 VanDerWaalsContact O-N 3.13Å
279Y59.2Low66.5Low210 Ų210137.3 Ų137.382%0.82471%0.711SS**  trans-133.5100.6-179.7-62.5-78.2000109.4
280L50.6Low65.2Low240 Ų240143.1 Ų143.1100%1.25773%0.729SS**  trans-140.70155.4-89.6172.4000106.7

Retrieved 280 of 280 residues in 66.4 ms (Link to these results)