A0A3Q0KH82_SCHMA Loading...

PP28 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KH82, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 194 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
1M55.1Low78.8Confident228 Ų228159.3 Ų159.3100%1.12378%0.775SS**  0103.30-71.9-169.2140.700109.1K3M1-K3 PolarHBondContact O-N 3.44Å
2H75.3Confident79.1Confident199 Ų199154.2 Ų154.292%0.92176%0.763SS**  trans-85.198.5175.6-69.170.2000108G4H2-G4 PolarHBondContact O-N 3.48Å
3K73.6Confident79.4Confident200 Ų200151.3 Ų151.387%0.8775%0.747SS**PPolyproline II helixtrans-72.3119.6169.4-70.9-179.6179.4178.30107.2M1M1-K3 PolarHBondContact O-N 3.44Å
4G76.7Confident79.6Confident71 Ų71145.3 Ų145.373%0.73272%0.716SS**PPolyproline II helixtrans-55.2143-166.700000114.3H2 T6H2-G4 PolarHBondContact O-N 3.48Å; G4-T6 PolarHBondContact O-N 3.06Å
5R80.7Confident79.8Confident240 Ų240140.7 Ų140.791%0.90669%0.694SS**PPolyproline II helixtrans-54.1127.4170.4-170.9104.1177.1132.2-1.6108.6R7R5-R7 PolarHBondContact O-N 3.34Å; R5-R7 VanDerWaalsContact O-N 3.1Å
6T80.1Confident80Confident106 Ų106135.4 Ų135.465%0.6567%0.669SS**PPolyproline II helixtrans-56.5117.1171.948.80000109.4G4G4-T6 PolarHBondContact O-N 3.06Å
7R83.2Confident79.9Confident213 Ų213135.7 Ų135.780%0.80466%0.661SS**PPolyproline II helixtrans-67133170.9-65.4173.670.5-177.22.2108.4R5R5-R7 PolarHBondContact O-N 3.34Å; R5-R7 VanDerWaalsContact O-N 3.1Å
8K85.1Confident80.1Confident179 Ų179136.1 Ų136.178%0.77866%0.661SS**PPolyproline II helixtrans-100.8129.4168-62.7-62.1-176.5177.40107
9F85.3Confident79.9Confident182 Ų182135.2 Ų135.280%0.79866%0.66SS**PPolyproline II helixtrans-82.6127.6173-65-79.7000108.2
10T86.8Confident79.3Confident79 Ų79131.4 Ų131.449%0.48566%0.656SS.*PPolyproline II helixtrans-69.2138.3169.4-52.20000108.5E14 I15T10-E14 HydrophobicContact CG2-CB 3.55Å; T10-E14 HydrophobicContact CG2-CG 3.34Å; T10-I15 HydrophobicContact CG2-CG1 4.11Å
11A85Confident78.6Confident55 Ų55128.1 Ų128.146%0.45564%0.641SS.*PPolyproline II helixtrans-62.5143.7175.900000109.5E13 E14 I15A11-E13 PolarHBondContact O-N 3.45Å; A11-E14 WeakPolarHBondContact O-CB 3.35Å; A11-E14 PolarHBondContact O-N 3.1Å; A11-I15 PolarHBondContact O-N 3.32Å
12P82.6Confident78.9Confident98 Ų98120.2 Ų120.264%0.63661%0.608SS**Hα-helixtrans-54.2-41.2-179.120.7-32000111.6E14 I15 D16P12-E14 PolarHBondContact O-N 3.45Å; P12-E14 VanDerWaalsContact O-N 3.14Å; P12-I15 WeakPolarHBondContact O-CB 3.33Å; P12-I15 PolarHBondContact O-N 3.37Å; P12-D16 VanDerWaalsContact O-CG 3.28Å; P12-D16 PolarHBondContact O-N 3.39Å; P12-D16 VanDerWaalsContact O-N 3.07Å
13E82.4Confident78.2Confident117 Ų117118.9 Ų118.955%0.54760%0.599SS.*Hα-helixtrans-61.8-24.6177.9-159.3-176.8-167.900114A11 R17A11-E13 PolarHBondContact O-N 3.45Å; E13-R17 WeakPolarHBondContact O-CG 3.29Å; E13-R17 PolarHBondContact O-N 2.92Å; E13-R17 PolarHBondContact O-NH1 3.07Å
14E83Confident77.5Confident67 Ų67116.6 Ų116.631%0.31359%0.592SS.*Hα-helixtrans-80.9-31.4174.8175.467.9-157.600111.8T10 A11 P12 D16 R17 Q18T10-E14 HydrophobicContact CG2-CB 3.55Å; T10-E14 HydrophobicContact CG2-CG 3.34Å; A11-E14 WeakPolarHBondContact O-CB 3.35Å; A11-E14 PolarHBondContact O-N 3.1Å; P12-E14 PolarHBondContact O-N 3.45Å; P12-E14 VanDerWaalsContact O-N 3.14Å; E14-D16 VanDerWaalsContact C-N 3.33Å; E14-R17 PolarHBondContact O-N 3.45Å; E14-R17 IonicContact OE2-CZ 3.13Å; E14-R17 IonicContact OE2-NE 2.88Å; E14-R17 PolarHBondContact OE2-NE 3.06Å; E14-R17 IonicContact OE2-NH2 2.61Å; E14-R17 PolarHBondContact OE2-NH2 3.35Å; E14-Q18 PolarHBondContact O-N 3.38Å
15I81.7Confident76.6Confident77 Ų77115 Ų11540%0.39557%0.571SS.*Hα-helixtrans-65.5-42.8172.6-59.4173.5000109.3T10 A11 P12 R17 Q18 L19T10-I15 HydrophobicContact CG2-CG1 4.11Å; A11-I15 PolarHBondContact O-N 3.32Å; P12-I15 WeakPolarHBondContact O-CB 3.33Å; P12-I15 PolarHBondContact O-N 3.37Å; I15-R17 VanDerWaalsContact C-N 3.29Å; I15-R17 PolarHBondContact O-N 2.74Å; I15-Q18 PolarHBondContact O-N 3.49Å; I15-Q18 VanDerWaalsContact O-N 3.12Å; I15-L19 HydrophobicContact CG2-CD1 4.05Å; I15-L19 PolarHBondContact O-N 3.27Å
16D82.8Confident75.5Confident55 Ų55107.8 Ų107.829%0.29455%0.548SS..Hα-helixtrans-61.8-38.7178.9-56.2-23.9000111.5P12 E14 L19 G20 I21P12-D16 VanDerWaalsContact O-CG 3.28Å; P12-D16 PolarHBondContact O-N 3.39Å; P12-D16 VanDerWaalsContact O-N 3.07Å; E14-D16 VanDerWaalsContact C-N 3.33Å; D16-L19 PolarHBondContact O-N 3.23Å; D16-G20 PolarHBondContact O-N 3.47Å; D16-G20 VanDerWaalsContact O-N 3.08Å; D16-I21 PolarHBondContact O-N 2.99Å
17R79.8Confident74.4Confident141 Ų141106.3 Ų106.353%0.53254%0.542SS..Hα-helixtrans-62.1-42.5173.3-76.4-171.7-70.7-90.711.8112.6E13 E14 I15 G20E13-R17 WeakPolarHBondContact O-CG 3.29Å; E13-R17 PolarHBondContact O-N 2.92Å; E13-R17 PolarHBondContact O-NH1 3.07Å; E14-R17 PolarHBondContact O-N 3.45Å; E14-R17 IonicContact OE2-CZ 3.13Å; E14-R17 IonicContact OE2-NE 2.88Å; E14-R17 PolarHBondContact OE2-NE 3.06Å; E14-R17 IonicContact OE2-NH2 2.61Å; E14-R17 PolarHBondContact OE2-NH2 3.35Å; I15-R17 VanDerWaalsContact C-N 3.29Å; I15-R17 PolarHBondContact O-N 2.74Å; R17-G20 PolarHBondContact O-N 3.47Å
18Q82Confident73.1Confident142 Ų14299.2 Ų99.266%0.66453%0.525SS*.Hα-helixtrans-70.6-35.8179.8-73.3-178.8-0.300112.5E14 I15 G20E14-Q18 PolarHBondContact O-N 3.38Å; I15-Q18 PolarHBondContact O-N 3.49Å; I15-Q18 VanDerWaalsContact O-N 3.12Å; Q18-G20 PolarHBondContact O-N 3.48Å
19L76.6Confident71.8Confident120 Ų12096.3 Ų96.363%0.62852%0.517SS*.THydrogen-bonded Turntrans-79.8-2.9174.8-93.175.8000113.2I15 D16 I21I15-L19 HydrophobicContact CG2-CD1 4.05Å; I15-L19 PolarHBondContact O-N 3.27Å; D16-L19 PolarHBondContact O-N 3.23Å; L19-I21 HydrophobicContact CB-CD1 3.62Å; L19-I21 HydrophobicContact CB-CG1 3.81Å; L19-I21 HydrophobicContact CD2-CD1 3.63Å; L19-I21 HydrophobicContact CG-CD1 4.28Å; L19-I21 PolarHBondContact O-N 3.31Å
20G68.4Low70.4Confident58 Ų5893 Ų9360%0.59851%0.508SS*.THydrogen-bonded Turntrans65.419.2-176.900000113.5D16 R17 Q18 S22D16-G20 PolarHBondContact O-N 3.47Å; D16-G20 VanDerWaalsContact O-N 3.08Å; R17-G20 PolarHBondContact O-N 3.47Å; Q18-G20 PolarHBondContact O-N 3.48Å; G20-S22 VanDerWaalsContact C-N 3.34Å; G20-S22 PolarHBondContact O-N 2.94Å
21I63.9Low68.8Low64 Ų6495.8 Ų95.833%0.32851%0.514SS..  trans-81.986.8179.4-59.4165.2000106.9D16 L19 E26D16-I21 PolarHBondContact O-N 2.99Å; L19-I21 HydrophobicContact CB-CD1 3.62Å; L19-I21 HydrophobicContact CB-CG1 3.81Å; L19-I21 HydrophobicContact CD2-CD1 3.63Å; L19-I21 HydrophobicContact CG-CD1 4.28Å; L19-I21 PolarHBondContact O-N 3.31Å; I21-E26 HydrophobicContact CG2-CG 3.47Å; I21-E26 VanDerWaalsContact CG2-CG 3.47Å
22S61.2Low67.2Low61 Ų6196 Ų9643%0.42751%0.509SS..  trans-66.6150.7165.658.80000109.2G20 E24 A25 E26G20-S22 VanDerWaalsContact C-N 3.34Å; G20-S22 PolarHBondContact O-N 2.94Å; S22-E24 PolarHBondContact O-N 2.99Å; S22-A25 WeakPolarHBondContact O-CA 3.42Å; S22-A25 VanDerWaalsContact O-CB 3.29Å; S22-A25 WeakPolarHBondContact O-CB 3.41Å; S22-A25 PolarHBondContact O-N 3.15Å; S22-A25 PolarHBondContact OG-N 3.15Å; S22-E26 PolarHBondContact O-N 2.89Å
23K62.4Low66Low171 Ų17196.6 Ų96.674%0.74351%0.506SS*.Hα-helixtrans-55-22.6175.2-71.6177.6178.5170.50112.9S27K23-S27 PolarHBondContact O-N 2.85Å
24E57.5Low64.5Low153 Ų15398.8 Ų98.872%0.71552%0.516SS*.Hα-helixtrans-76.9-31.5173.2-72.7172.8171.900112.9S22 S27 S28S22-E24 PolarHBondContact O-N 2.99Å; E24-S27 PolarHBondContact O-N 2.91Å; E24-S28 PolarHBondContact O-N 3.45Å; E24-S28 PolarHBondContact O-OG 3.06Å
25A57.3Low63Low37 Ų37101 Ų10131%0.30653%0.53SS..Hα-helixtrans-68.5-35171.800000111.5S22 S27 S28 L29S22-A25 WeakPolarHBondContact O-CA 3.42Å; S22-A25 VanDerWaalsContact O-CB 3.29Å; S22-A25 WeakPolarHBondContact O-CB 3.41Å; S22-A25 PolarHBondContact O-N 3.15Å; S22-A25 PolarHBondContact OG-N 3.15Å; A25-S27 PolarHBondContact O-N 2.9Å; A25-S28 PolarHBondContact O-N 3.42Å; A25-L29 VanDerWaalsContact O-CB 3.26Å; A25-L29 WeakPolarHBondContact O-CB 3.38Å; A25-L29 PolarHBondContact O-N 3.18Å
26E57.8Low61.6Low88 Ų88105.2 Ų105.241%0.41155%0.545SS..Hα-helixtrans-65.3-37.9174.1-61.1-170.1141.200112.5I21 S22 N30I21-E26 HydrophobicContact CG2-CG 3.47Å; I21-E26 VanDerWaalsContact CG2-CG 3.47Å; S22-E26 PolarHBondContact O-N 2.89Å; E26-N30 VanDerWaalsContact O-CB 3.31Å; E26-N30 WeakPolarHBondContact O-CB 3.43Å; E26-N30 VanDerWaalsContact O-CG 3.27Å; E26-N30 PolarHBondContact O-N 3.44Å; E26-N30 PolarHBondContact O-ND2 2.82Å
27S57.4Low60.1Low75 Ų75106.8 Ų106.852%0.52455%0.554SS.*Hα-helixtrans-64.1-44172.9158.70000111.1K23 E24 A25 K31K23-S27 PolarHBondContact O-N 2.85Å; E24-S27 PolarHBondContact O-N 2.91Å; A25-S27 PolarHBondContact O-N 2.9Å; S27-K31 VanDerWaalsContact O-CB 3.27Å; S27-K31 WeakPolarHBondContact O-CB 3.4Å; S27-K31 PolarHBondContact O-N 3.36Å
28S56.9Low58.9Low65 Ų65107 Ų10746%0.45556%0.564SS.*Hα-helixtrans-67.3-43.1179.5-51.80000111.6E24 A25 N30 K31 T32E24-S28 PolarHBondContact O-N 3.45Å; E24-S28 PolarHBondContact O-OG 3.06Å; A25-S28 PolarHBondContact O-N 3.42Å; S28-N30 PolarHBondContact O-N 3.43Å; S28-K31 PolarHBondContact O-N 2.83Å; S28-T32 WeakPolarHBondContact O-CB 3.23Å; S28-T32 PolarHBondContact O-N 2.83Å; S28-T32 PolarHBondContact O-OG1 3.37Å
29L56.7Low57.2Low117 Ų117106.9 Ų106.961%0.61357%0.568SS**Hα-helixtrans-64.6-42.8178.4-163.472.5000111.2A25 K31 I33A25-L29 VanDerWaalsContact O-CB 3.26Å; A25-L29 WeakPolarHBondContact O-CB 3.38Å; A25-L29 PolarHBondContact O-N 3.18Å; L29-K31 VanDerWaalsContact C-N 3.31Å; L29-K31 PolarHBondContact O-N 2.89Å; L29-I33 HydrophobicContact CG-CD1 4.37Å; L29-I33 WeakPolarHBondContact O-CD1 3.42Å; L29-I33 WeakPolarHBondContact O-CG1 3.32Å; L29-I33 PolarHBondContact O-N 3.38Å; L29-I33 VanDerWaalsContact O-N 3.12Å
30N55.6Low55.8Low114 Ų114108.6 Ų108.661%0.6158%0.578SS**Hα-helixtrans-68.4-28.5175.6-74.2-42.7000113.1E26 S28E26-N30 VanDerWaalsContact O-CB 3.31Å; E26-N30 WeakPolarHBondContact O-CB 3.43Å; E26-N30 VanDerWaalsContact O-CG 3.27Å; E26-N30 PolarHBondContact O-N 3.44Å; E26-N30 PolarHBondContact O-ND2 2.82Å; S28-N30 PolarHBondContact O-N 3.43Å
31K54.8Low54.6Low136 Ų136110.2 Ų110.259%0.59158%0.576SS**Hα-helixtrans-80.4-38.9177-162.9174-179.1-162.90112.1S27 S28 L29 I33 H34 D35S27-K31 VanDerWaalsContact O-CB 3.27Å; S27-K31 WeakPolarHBondContact O-CB 3.4Å; S27-K31 PolarHBondContact O-N 3.36Å; S28-K31 PolarHBondContact O-N 2.83Å; L29-K31 VanDerWaalsContact C-N 3.31Å; L29-K31 PolarHBondContact O-N 2.89Å; K31-I33 VanDerWaalsContact C-N 3.3Å; K31-I33 PolarHBondContact O-N 2.88Å; K31-H34 PolarHBondContact O-N 3.23Å; K31-D35 PolarHBondContact O-N 2.75Å
32T51.3Low53.6Low59 Ų59115.2 Ų115.236%0.36260%0.598SS.*Hα-helixtrans-66.6-30.4175.7-60.80000112.4S28 H34 K36S28-T32 WeakPolarHBondContact O-CB 3.23Å; S28-T32 PolarHBondContact O-N 2.83Å; S28-T32 PolarHBondContact O-OG1 3.37Å; T32-H34 VanDerWaalsContact C-N 3.25Å; T32-H34 PolarHBondContact O-N 2.96Å; T32-K36 HydrophobicContact CG2-CD 3.55Å; T32-K36 HydrophobicContact CG2-CG 3.98Å; T32-K36 WeakPolarHBondContact O-CB 3.35Å; T32-K36 VanDerWaalsContact O-CG 3.3Å; T32-K36 WeakPolarHBondContact O-CG 3.3Å; T32-K36 PolarHBondContact O-N 3.33Å
33I55.7Low52.9Low111 Ų111117.3 Ų117.357%0.56961%0.608SS**Hα-helixtrans-70.4-22.7172.6-66.3163.7000111.8L29 K31L29-I33 HydrophobicContact CG-CD1 4.37Å; L29-I33 WeakPolarHBondContact O-CD1 3.42Å; L29-I33 WeakPolarHBondContact O-CG1 3.32Å; L29-I33 PolarHBondContact O-N 3.38Å; L29-I33 VanDerWaalsContact O-N 3.12Å; K31-I33 VanDerWaalsContact C-N 3.3Å; K31-I33 PolarHBondContact O-N 2.88Å
34H52.1Low52.1Low163 Ų163115.7 Ų115.776%0.75561%0.608SS**Hα-helixtrans-94.1-27.5-179.6-129.734.4000114.2K31 T32K31-H34 PolarHBondContact O-N 3.23Å; T32-H34 VanDerWaalsContact C-N 3.25Å; T32-H34 PolarHBondContact O-N 2.96Å
35D51.6Low51.7Low114 Ų114114.5 Ų114.561%0.6161%0.606SS**Hα-helixtrans-96.4-16.1-178.9-93-28.7000115K31 N37K31-D35 PolarHBondContact O-N 2.75Å; D35-N37 PolarHBondContact O-N 3.47Å; D35-N37 VanDerWaalsContact O-N 3.15Å
36K52.9Low51.3Low165 Ų165119 Ų11972%0.71763%0.626SS**THydrogen-bonded Turntrans-75.65.7178.4-77.5-176.1170.5176.80115.3T32T32-K36 HydrophobicContact CG2-CD 3.55Å; T32-K36 HydrophobicContact CG2-CG 3.98Å; T32-K36 WeakPolarHBondContact O-CB 3.35Å; T32-K36 VanDerWaalsContact O-CG 3.3Å; T32-K36 WeakPolarHBondContact O-CG 3.3Å; T32-K36 PolarHBondContact O-N 3.33Å
37N51.2Low50.9Low88 Ų88121.1 Ų121.147%0.47164%0.64SS.*THydrogen-bonded Turntrans-97.56179.4-85-24.8000114.3D35D35-N37 PolarHBondContact O-N 3.47Å; D35-N37 VanDerWaalsContact O-N 3.15Å
38I53Low50.6Low146 Ų146125.3 Ų125.375%0.74965%0.651SS**SBendtrans-131.7106.4176.6-77.3158.3000107.4
39N47Very low50.2Low139 Ų139129.8 Ų129.874%0.74367%0.665SS**  trans74.576.2155.6-147.552000116.7
40D46.6Very low49.9Very low156 Ų156132.5 Ų132.583%0.83467%0.674SS**  trans-129.186.7153.3-145.74.3000109.3
41T43.2Very low49.8Very low93 Ų93134.6 Ų134.657%0.57168%0.68SS**  trans-62.6129.8163.532.90000109.9
42E44.5Very low49.6Very low169 Ų169136.3 Ų136.379%0.7969%0.691SS**  trans5286.5143.7-48.8-66.2153.600114.9
43T46.5Very low49.7Very low104 Ų104139.4 Ų139.464%0.63870%0.701SS**  trans-133.192.1148.9-48.70000106.8D45T43-D45 VanDerWaalsContact C-N 3.32Å; T43-D45 PolarHBondContact O-N 2.86Å; T43-D45 VanDerWaalsContact O-N 3.1Å
44D44.4Very low49.4Very low137 Ų137141.5 Ų141.573%0.73371%0.708SS**  trans-50.3100.1150.5-91.4-30.1000107
45D49.7Very low49.5Very low128 Ų128140.3 Ų140.368%0.68471%0.708SS**  trans-100.382.8155.4-81.3-32.8000106.1T43 D47T43-D45 VanDerWaalsContact C-N 3.32Å; T43-D45 PolarHBondContact O-N 2.86Å; T43-D45 VanDerWaalsContact O-N 3.1Å; D45-D47 PolarHBondContact O-N 3.42Å
46D48.6Very low49.4Very low133 Ų133142.5 Ų142.571%0.71171%0.714SS**  trans-59.976.2152-88.3-36.9000107.7E48D46-E48 VanDerWaalsContact C-N 3.28Å; D46-E48 PolarHBondContact O-N 3.25Å
47D49.4Very low49.5Very low132 Ų132141.4 Ų141.471%0.70672%0.716SS**  trans-85.882.8159.9-89.8-33.3000107.4D45 E49D45-D47 PolarHBondContact O-N 3.42Å; D47-E49 PolarHBondContact O-N 2.98Å
48E50Low49.5Very low163 Ų163143 Ų14376%0.76273%0.725SS**  trans-59.978.3156.6-67.9-178160.100108.3D46 E50D46-E48 VanDerWaalsContact C-N 3.28Å; D46-E48 PolarHBondContact O-N 3.25Å; E48-E50 PolarHBondContact O-N 3.46Å
49E49.5Very low49.7Very low158 Ų158144.5 Ų144.574%0.73873%0.728SS**  trans-7091.4161.7-72.5-168.4177.200107.4D47 E51D47-E49 PolarHBondContact O-N 2.98Å; E49-E51 PolarHBondContact O-N 3.02Å
50E49.7Very low50.1Low174 Ų174144.1 Ų144.181%0.81372%0.722SS**  trans-53.781.9158.9-68.6-177.5157.300108.7E48 E52E48-E50 PolarHBondContact O-N 3.46Å; E50-E52 VanDerWaalsContact C-N 3.32Å; E50-E52 PolarHBondContact O-N 3.46Å
51E54.4Low50.7Low158 Ų158143.9 Ų143.974%0.73872%0.721SS**  trans-68.498.8161.8-76.9-167.4169.600107.2E49 E53E49-E51 PolarHBondContact O-N 3.02Å; E51-E53 VanDerWaalsContact C-N 3.29Å; E51-E53 PolarHBondContact O-N 3.49Å
52E50.4Low51.5Low173 Ų173142.5 Ų142.581%0.80871%0.712SS**  trans-4891164.3-66.6176.716000109.3E50 E54E50-E52 VanDerWaalsContact C-N 3.32Å; E50-E52 PolarHBondContact O-N 3.46Å; E52-E54 PolarHBondContact O-N 3.29Å
53E53.9Low52.4Low123 Ų123139.8 Ų139.858%0.57571%0.712SS**  trans-74.187.1162.7-62.5-118.8-143.600106.3E51 D55 K82E51-E53 VanDerWaalsContact C-N 3.29Å; E51-E53 PolarHBondContact O-N 3.49Å; E53-D55 PolarHBondContact O-N 2.91Å; E53-K82 IonicContact OE1-NZ 2.78Å; E53-K82 PolarHBondContact OE1-NZ 2.89Å
54E49.7Very low53.7Low155 Ų155141.7 Ų141.772%0.72471%0.714SS**  trans-62.279.4155.3-76.8-176.8159.700107.7E52 E56E52-E54 PolarHBondContact O-N 3.29Å; E54-E56 PolarHBondContact O-N 3.46Å
55D52.6Low55.3Low139 Ų139146.4 Ų146.474%0.74372%0.721SS**  trans-64.777153.1-83.2-34.1000106.7E53 D57E53-D55 PolarHBondContact O-N 2.91Å; D55-D57 PolarHBondContact O-N 3.48Å
56E50.2Low56.8Low160 Ų160145.4 Ų145.475%0.74871%0.712SS**  trans-67.283.4157.9-81.6-173.2158.800107.1E54 D58E54-E56 PolarHBondContact O-N 3.46Å; E56-D58 PolarHBondContact O-N 3.26Å
57D54.4Low58.4Low142 Ų142148.5 Ų148.576%0.75972%0.719SS**  trans-59.375.3153.3-102.9-25.9000107.4D55 E59D55-D57 PolarHBondContact O-N 3.48Å; D57-E59 PolarHBondContact O-N 2.88Å
58D52.2Low60.2Low122 Ų122145.1 Ų145.165%0.65272%0.716SS**  trans-76.971.2171.2-15520.4000107.7E56 E60E56-D58 PolarHBondContact O-N 3.26Å; D58-E60 PolarHBondContact O-N 3.39Å
59E57.6Low61.9Low176 Ų176141.6 Ų141.682%0.82271%0.705SS**  trans-7039.5161.8-70.9-164.3167.400110.7D57 D61D57-E59 PolarHBondContact O-N 2.88Å; E59-D61 PolarHBondContact O-N 2.85Å
60E55.7Low63.6Low132 Ų132137.7 Ų137.762%0.61770%0.695SS**  trans-73102.1169.3-136.8-179.9-150.500107.5D58 T62D58-E60 PolarHBondContact O-N 3.39Å; E60-T62 HydrophobicContact CB-CG2 3.95Å; E60-T62 HydrophobicContact CG-CG2 3.98Å; E60-T62 PolarHBondContact O-N 3.03Å; E60-T62 PolarHBondContact O-OG1 3.32Å; E60-T62 WeakPolarHBondContact OE2-CG2 3.27Å
61D58.4Low65.3Low151 Ų151133.7 Ų133.781%0.80768%0.676SS**  trans-54.862.4165.6-172.916.9000110.6E59 S63E59-D61 PolarHBondContact O-N 2.85Å; D61-S63 PolarHBondContact O-N 3.49Å
62T59.2Low66.9Low63 Ų63132.9 Ų132.939%0.38768%0.676SS.*  trans-89.4101.4174.756.90000105.4E60 E64E60-T62 HydrophobicContact CB-CG2 3.95Å; E60-T62 HydrophobicContact CG-CG2 3.98Å; E60-T62 PolarHBondContact O-N 3.03Å; E60-T62 PolarHBondContact O-OG1 3.32Å; E60-T62 WeakPolarHBondContact OE2-CG2 3.27Å; T62-E64 PolarHBondContact O-N 3.47Å
63S64.3Low68.6Low112 Ų112129.4 Ų129.478%0.78366%0.662SS**  trans-63.230.4172.5-59.90000113.4D61 R65D61-S63 PolarHBondContact O-N 3.49Å; S63-R65 PolarHBondContact O-N 2.89Å
64E73.1Confident70.1Confident144 Ų144132.6 Ų132.667%0.67368%0.677SS**  trans-67.9126.5176-69.2-163.1169.200109.3T62 H66T62-E64 PolarHBondContact O-N 3.47Å; E64-H66 PolarHBondContact O-N 2.95Å
65R79.3Confident71.8Confident237 Ų237132 Ų13289%0.89468%0.683SS**  trans-68.583.2175.4-66.8-179.3-66.8169-1.4109.5S63 K67S63-R65 PolarHBondContact O-N 2.89Å; R65-K67 PolarHBondContact O-N 3.23Å
66H79.6Confident73.2Confident106 Ų106129.2 Ų129.249%0.49167%0.674SS.*  trans-32.1115.5159.7-76-18.2000112.6E64 H71E64-H66 PolarHBondContact O-N 2.95Å; H66-H71 WeakPolarHBondContact CB-CE1 3.38Å; H66-H71 WeakPolarHBondContact CB-ND1 3.32Å; H66-H71 AromaticContact CD2-CD2 3.31Å; H66-H71 PolarHBondContact CD2-CD2 3.33Å; H66-H71 AromaticContact CD2-CG 3.25Å; H66-H71 AromaticContact CD2-ND1 3.81Å; H66-H71 AromaticContact CD2-NE2 3.89Å; H66-H71 AromaticContact CE1-CD2 3.2Å; H66-H71 PolarHBondContact CE1-CD2 3.15Å; H66-H71 AromaticContact CE1-CG 3.97Å; H66-H71 AromaticContact CE1-NE2 3.47Å; H66-H71 PolarHBondContact CE1-NE2 2.88Å; H66-H71 AromaticContact CG-CD2 3.16Å; H66-H71 AromaticContact CG-CE1 3.27Å; H66-H71 AromaticContact CG-CG 3.21Å; H66-H71 AromaticContact CG-ND1 3.31Å; H66-H71 VanDerWaalsContact CG-ND1 3.31Å; H66-H71 AromaticContact CG-NE2 3.22Å; H66-H71 AromaticContact ND1-CD2 3.1Å; H66-H71 PolarHBondContact ND1-CD2 2.86Å; H66-H71 AromaticContact ND1-CE1 3.43Å; H66-H71 PolarHBondContact ND1-CE1 2.91Å; H66-H71 AromaticContact ND1-CG 3.7Å; H66-H71 AromaticContact ND1-ND1 3.9Å; H66-H71 AromaticContact ND1-NE2 2.93Å; H66-H71 PolarHBondContact ND1-NE2 3.49Å; H66-H71 AromaticContact NE2-CD2 3.32Å; H66-H71 PolarHBondContact NE2-CD2 3.33Å; H66-H71 VanDerWaalsContact NE2-CD2 3.32Å; H66-H71 AromaticContact NE2-CG 3.73Å
67K83.7Confident74.8Confident198 Ų198125.3 Ų125.386%0.86166%0.659SS**  trans-85.7117.4175.4-69171.8-176.9166.90108.8R65R65-K67 PolarHBondContact O-N 3.23Å
68G85.6Confident76.2Confident61 Ų61123.2 Ų123.263%0.62965%0.653SS**SBendtrans87.5-164.6177.300000113.7
69V87.7Confident77.5Confident89 Ų89124.6 Ų124.654%0.53966%0.66SS.*SBendtrans-105.310.6-170.3-61.60000114.1H71 L72 I73V69-H71 PolarHBondContact O-N 3.46Å; V69-L72 HydrophobicContact CB-CB 4.37Å; V69-L72 HydrophobicContact CG1-CD2 4.45Å; V69-L72 WeakPolarHBondContact O-CB 3.29Å; V69-L72 PolarHBondContact O-N 3.41Å; V69-I73 HydrophobicContact CG2-CD1 4.02Å; V69-I73 PolarHBondContact O-N 2.94Å
70S84.5Confident78.5Confident76 Ų76126.3 Ų126.353%0.53166%0.659SS.*G310 helixtrans-56.7-38.417947.60000112.1L72 I73S70-L72 PolarHBondContact O-N 3.27Å; S70-I73 CarbonylContact O-C 3.59Å; S70-I73 PolarHBondContact O-N 3.49Å; S70-I73 VanDerWaalsContact O-N 3.15Å
71H84.9Confident79.3Confident90 Ų90124.1 Ų124.142%0.41765%0.651SS.*G310 helixtrans-73.8-10.8178.5-37.382000113.1H66 V69H66-H71 WeakPolarHBondContact CB-CE1 3.38Å; H66-H71 WeakPolarHBondContact CB-ND1 3.32Å; H66-H71 AromaticContact CD2-CD2 3.31Å; H66-H71 PolarHBondContact CD2-CD2 3.33Å; H66-H71 AromaticContact CD2-CG 3.25Å; H66-H71 AromaticContact CD2-ND1 3.81Å; H66-H71 AromaticContact CD2-NE2 3.89Å; H66-H71 AromaticContact CE1-CD2 3.2Å; H66-H71 PolarHBondContact CE1-CD2 3.15Å; H66-H71 AromaticContact CE1-CG 3.97Å; H66-H71 AromaticContact CE1-NE2 3.47Å; H66-H71 PolarHBondContact CE1-NE2 2.88Å; H66-H71 AromaticContact CG-CD2 3.16Å; H66-H71 AromaticContact CG-CE1 3.27Å; H66-H71 AromaticContact CG-CG 3.21Å; H66-H71 AromaticContact CG-ND1 3.31Å; H66-H71 VanDerWaalsContact CG-ND1 3.31Å; H66-H71 AromaticContact CG-NE2 3.22Å; H66-H71 AromaticContact ND1-CD2 3.1Å; H66-H71 PolarHBondContact ND1-CD2 2.86Å; H66-H71 AromaticContact ND1-CE1 3.43Å; H66-H71 PolarHBondContact ND1-CE1 2.91Å; H66-H71 AromaticContact ND1-CG 3.7Å; H66-H71 AromaticContact ND1-ND1 3.9Å; H66-H71 AromaticContact ND1-NE2 2.93Å; H66-H71 PolarHBondContact ND1-NE2 3.49Å; H66-H71 AromaticContact NE2-CD2 3.32Å; H66-H71 PolarHBondContact NE2-CD2 3.33Å; H66-H71 VanDerWaalsContact NE2-CD2 3.32Å; H66-H71 AromaticContact NE2-CG 3.73Å; V69-H71 PolarHBondContact O-N 3.46Å
72L87.4Confident79.8Confident141 Ų141125.2 Ų125.274%0.73865%0.648SS**G310 helixtrans-94.4-11.8173.6-80.568.9000111.7V69 S70V69-L72 HydrophobicContact CB-CB 4.37Å; V69-L72 HydrophobicContact CG1-CD2 4.45Å; V69-L72 WeakPolarHBondContact O-CB 3.29Å; V69-L72 PolarHBondContact O-N 3.41Å; S70-L72 PolarHBondContact O-N 3.27Å
73I86Confident80.2Confident101 Ų101126.2 Ų126.252%0.51866%0.658SS.*SBendtrans-124.3108.1-173.4-56.2172.5000108.7V69 S70 V75V69-I73 HydrophobicContact CG2-CD1 4.02Å; V69-I73 PolarHBondContact O-N 2.94Å; S70-I73 CarbonylContact O-C 3.59Å; S70-I73 PolarHBondContact O-N 3.49Å; S70-I73 VanDerWaalsContact O-N 3.15Å; I73-V75 HydrophobicContact CG2-CG2 4.42Å; I73-V75 PolarHBondContact O-N 3.37Å
74E86.9Confident80.2Confident190 Ų190130.5 Ų130.589%0.88866%0.662SS**  trans-67.7122.4166-66.9169.3-158.200109.4
75V84.2Confident79.5Confident141 Ų141129.8 Ų129.886%0.85567%0.668SS**  trans-101.4100.1174.1179.70000108I73I73-V75 HydrophobicContact CG2-CG2 4.42Å; I73-V75 PolarHBondContact O-N 3.37Å
76C82.3Confident79.1Confident82 Ų82124.8 Ų124.855%0.55466%0.663SS**  trans-109132.4176.5-157.20000111P78 I81C76-P78 WeakPolarHBondContact O-CD 3.32Å; C76-I81 HydrophobicContact CB-CD1 4.17Å; C76-I81 WeakPolarHBondContact SG-CD1 3.44Å; C76-I81 WeakPolarHBondContact SG-CG1 3.31Å
77N84.7Confident79Confident78 Ų78123.3 Ų123.342%0.41767%0.67SS.*  trans-86112.2171.7178.1-5000108.6N79 R80 I81N77-N79 PolarHBondContact O-N 2.89Å; N77-N79 WeakPolarHBondContact OD1-CB 3.45Å; N77-N79 PolarHBondContact OD1-N 3.17Å; N77-R80 HydrophobicContact CB-CB 4.14Å; N77-R80 HydrophobicContact CB-CG 4.27Å; N77-R80 PolarHBondContact O-N 3.42Å; N77-I81 WeakPolarHBondContact O-CG1 3.37Å; N77-I81 PolarHBondContact O-N 3.4Å
78P83.4Confident78.7Confident97 Ų97116.8 Ų116.863%0.6365%0.647SS**THydrogen-bonded Turntrans-56.5-24.6-178.522.8-33000113.6C76C76-P78 WeakPolarHBondContact O-CD 3.32Å
79N80Confident78.7Confident151 Ų151117.2 Ų117.281%0.80764%0.64SS**THydrogen-bonded Turntrans-83.1-11.2177.1-60.7-22.1000113.7N77N77-N79 PolarHBondContact O-N 2.89Å; N77-N79 WeakPolarHBondContact OD1-CB 3.45Å; N77-N79 PolarHBondContact OD1-N 3.17Å
80R77.1Confident78.6Confident212 Ų212123.7 Ų123.780%0.866%0.655SS**THydrogen-bonded Turntrans-96.1-25.9172.5-82.1-172.2166.4-152.7-6.7112.7N77 K82N77-R80 HydrophobicContact CB-CB 4.14Å; N77-R80 HydrophobicContact CB-CG 4.27Å; N77-R80 PolarHBondContact O-N 3.42Å; R80-K82 PolarHBondContact O-N 3.06Å; R80-K82 VanDerWaalsContact O-N 3.16Å
81I72.8Confident78.9Confident87 Ų87128.3 Ų128.345%0.44667%0.666SS.*SBendtrans-69.7115.8177-17.6178.1000107.5C76 N77 S83C76-I81 HydrophobicContact CB-CD1 4.17Å; C76-I81 WeakPolarHBondContact SG-CD1 3.44Å; C76-I81 WeakPolarHBondContact SG-CG1 3.31Å; N77-I81 WeakPolarHBondContact O-CG1 3.37Å; N77-I81 PolarHBondContact O-N 3.4Å; I81-S83 PolarHBondContact O-N 3.33Å
82K69.9Low79.1Confident174 Ų174129.2 Ų129.276%0.75767%0.67SS**  trans-68.262.9166.4-61170.5-171.6155.20108.4E53 R80E53-K82 IonicContact OE1-NZ 2.78Å; E53-K82 PolarHBondContact OE1-NZ 2.89Å; R80-K82 PolarHBondContact O-N 3.06Å; R80-K82 VanDerWaalsContact O-N 3.16Å
83S67.2Low79.1Confident83 Ų83126.4 Ų126.458%0.5866%0.655SS**  trans-64.3140.4175.573.20000108.6I81 T85I81-S83 PolarHBondContact O-N 3.33Å; S83-T85 PolarHBondContact O-N 3.49Å
84K63Low79.3Confident203 Ų203124.3 Ų124.388%0.88365%0.653SS**SBendtrans-42.4112.6-175.6-67.2174.6-178.2174.80110.3V86K84-V86 PolarHBondContact O-N 2.9Å
85T60.3Low79.4Confident129 Ų129118 Ų11879%0.79163%0.633SS**  trans-34.899.7-171.6-40.80000112.4S83 A87S83-T85 PolarHBondContact O-N 3.49Å; T85-A87 VanDerWaalsContact C-N 3.3Å; T85-A87 PolarHBondContact O-N 3.27Å
86V70.6Confident79.7Confident132 Ų132114.4 Ų114.480%0.861%0.614SS**  trans-68.9100.9158.4179.20000104.6K84K84-V86 PolarHBondContact O-N 2.9Å
87A76.2Confident80Confident75 Ų75115 Ų11562%0.6261%0.611SS**PPolyproline II helixtrans-52.1128.1178.600000108.8T85 S89T85-A87 VanDerWaalsContact C-N 3.3Å; T85-A87 PolarHBondContact O-N 3.27Å; A87-S89 PolarHBondContact O-N 2.97Å
88P79Confident80.3Confident61 Ų61118.2 Ų118.240%0.39662%0.621SS.*PPolyproline II helixtrans-56.9140.8-175.821.4-31.9000109.7E92 I93P88-E92 VanDerWaalsContact CA-OE2 3.31Å; P88-E92 WeakPolarHBondContact CA-OE2 3.32Å; P88-E92 HydrophobicContact CB-CB 4.21Å; P88-E92 HydrophobicContact CB-CG 4.04Å; P88-E92 WeakPolarHBondContact CB-OE2 3.43Å; P88-I93 HydrophobicContact CB-CG1 3.91Å; P88-I93 HydrophobicContact CG-CD1 4.08Å; P88-I93 HydrophobicContact CG-CG1 3.72Å
89S83.9Confident80.6Confident69 Ų69117.7 Ų117.748%0.48363%0.625SS.*PPolyproline II helixtrans-59.8150179.9-174.60000109.9A87 K91 E92 I93A87-S89 PolarHBondContact O-N 2.97Å; S89-K91 PolarHBondContact O-N 3.5Å; S89-E92 PolarHBondContact N-OE2 2.91Å; S89-E92 WeakPolarHBondContact O-CA 3.3Å; S89-E92 VanDerWaalsContact O-CB 3.29Å; S89-E92 WeakPolarHBondContact O-CB 3.45Å; S89-E92 PolarHBondContact O-N 2.97Å; S89-I93 PolarHBondContact O-N 3.18Å
90R87.3Confident81.2Confident225 Ų225116.2 Ų116.285%0.84962%0.622SS**Hα-helixtrans-50.2-34.1173.5-175.9177.9179.8-178.71.6112.6A94R90-A94 WeakPolarHBondContact O-CB 3.27Å; R90-A94 PolarHBondContact O-N 3.5Å; R90-A94 VanDerWaalsContact O-N 3.11Å
91K90.2Very high81.9Confident174 Ų174108.3 Ų108.376%0.75760%0.597SS**Hα-helixtrans-67.7-38.3175.4-69.4-177.8178.41780112.7S89 A95S89-K91 PolarHBondContact O-N 3.5Å; K91-A95 WeakPolarHBondContact O-CB 3.38Å; K91-A95 PolarHBondContact O-N 2.95Å
92E88.8Confident82.8Confident108 Ų108107.6 Ų107.651%0.50559%0.594SS.*Hα-helixtrans-70.6-45.7178.9-174.6176.1-169.900110.6P88 S89 A94 A95 S96P88-E92 VanDerWaalsContact CA-OE2 3.31Å; P88-E92 WeakPolarHBondContact CA-OE2 3.32Å; P88-E92 HydrophobicContact CB-CB 4.21Å; P88-E92 HydrophobicContact CB-CG 4.04Å; P88-E92 WeakPolarHBondContact CB-OE2 3.43Å; S89-E92 PolarHBondContact N-OE2 2.91Å; S89-E92 WeakPolarHBondContact O-CA 3.3Å; S89-E92 VanDerWaalsContact O-CB 3.29Å; S89-E92 WeakPolarHBondContact O-CB 3.45Å; S89-E92 PolarHBondContact O-N 2.97Å; E92-A94 VanDerWaalsContact C-N 3.32Å; E92-A94 PolarHBondContact O-N 3Å; E92-A95 WeakPolarHBondContact O-CB 3.29Å; E92-A95 PolarHBondContact O-N 3.36Å; E92-A95 VanDerWaalsContact O-N 3.09Å; E92-S96 PolarHBondContact O-N 3.35Å; E92-S96 PolarHBondContact O-OG 3.33Å; E92-S96 VanDerWaalsContact O-OG 3.11Å
93I87.3Confident83.8Confident83 Ų83103.9 Ų103.943%0.42659%0.588SS.*Hα-helixtrans-57.4-47174.1-59.7171000110.5P88 S89 A95 S96 I97P88-I93 HydrophobicContact CB-CG1 3.91Å; P88-I93 HydrophobicContact CG-CD1 4.08Å; P88-I93 HydrophobicContact CG-CG1 3.72Å; S89-I93 PolarHBondContact O-N 3.18Å; I93-A95 VanDerWaalsContact C-N 3.31Å; I93-A95 PolarHBondContact O-N 3.32Å; I93-S96 PolarHBondContact O-N 2.79Å; I93-I97 HydrophobicContact CG2-CD1 3.82Å; I93-I97 HydrophobicContact CG2-CG1 4.43Å; I93-I97 VanDerWaalsContact O-CG1 3.27Å; I93-I97 WeakPolarHBondContact O-CG1 3.34Å; I93-I97 PolarHBondContact O-N 3.47Å
94A89.5Confident85Confident57 Ų57104.3 Ų104.347%0.47158%0.583SS.*Hα-helixtrans-63.2-36.3177.800000112.7R90 E92 K98R90-A94 WeakPolarHBondContact O-CB 3.27Å; R90-A94 PolarHBondContact O-N 3.5Å; R90-A94 VanDerWaalsContact O-N 3.11Å; E92-A94 VanDerWaalsContact C-N 3.32Å; E92-A94 PolarHBondContact O-N 3Å; A94-K98 VanDerWaalsContact O-CB 3.3Å; A94-K98 WeakPolarHBondContact O-CB 3.45Å; A94-K98 PolarHBondContact O-N 3.1Å
95A90.6Very high86.3Confident56 Ų56101.4 Ų101.446%0.46357%0.57SS.*Hα-helixtrans-69.3-42.3175.600000111.7K91 E92 I93 K98 A99K91-A95 WeakPolarHBondContact O-CB 3.38Å; K91-A95 PolarHBondContact O-N 2.95Å; E92-A95 WeakPolarHBondContact O-CB 3.29Å; E92-A95 PolarHBondContact O-N 3.36Å; E92-A95 VanDerWaalsContact O-N 3.09Å; I93-A95 VanDerWaalsContact C-N 3.31Å; I93-A95 PolarHBondContact O-N 3.32Å; A95-K98 PolarHBondContact O-N 3.28Å; A95-A99 WeakPolarHBondContact O-CB 3.45Å; A95-A99 PolarHBondContact O-N 3.31Å
96S89Confident87.8Confident67 Ų6799.2 Ų99.247%0.46955%0.553SS.*Hα-helixtrans-62.2-46175.9-61.70000111.3E92 I93 K98 A99 T100E92-S96 PolarHBondContact O-N 3.35Å; E92-S96 PolarHBondContact O-OG 3.33Å; E92-S96 VanDerWaalsContact O-OG 3.11Å; I93-S96 PolarHBondContact O-N 2.79Å; S96-K98 PolarHBondContact O-N 3.5Å; S96-A99 PolarHBondContact O-N 2.9Å; S96-T100 PolarHBondContact O-N 3.39Å; S96-T100 VanDerWaalsContact O-N 3.09Å; S96-T100 PolarHBondContact O-OG1 3Å
97I89Confident88.9Confident93 Ų9396 Ų9648%0.47753%0.531SS..Hα-helixtrans-58.3-50.2173.9-67.2166.5000109.7I93 A99 T100 T101I93-I97 HydrophobicContact CG2-CD1 3.82Å; I93-I97 HydrophobicContact CG2-CG1 4.43Å; I93-I97 VanDerWaalsContact O-CG1 3.27Å; I93-I97 WeakPolarHBondContact O-CG1 3.34Å; I93-I97 PolarHBondContact O-N 3.47Å; I97-A99 PolarHBondContact O-N 3.33Å; I97-T100 PolarHBondContact O-N 3.34Å; I97-T100 PolarHBondContact O-OG1 3.18Å; I97-T101 HydrophobicContact CG2-CG2 3.76Å; I97-T101 WeakPolarHBondContact O-CB 3.25Å; I97-T101 WeakPolarHBondContact O-CG2 3.3Å; I97-T101 PolarHBondContact O-N 3.1Å; I97-T101 PolarHBondContact O-OG1 3.23Å
98K91.1Very high89.7Confident146 Ų14694.9 Ų94.964%0.63552%0.518SS*.Hα-helixtrans-61.4-30.5179.8-171.6175.8-179.9177.30113.1A94 A95 S96 T101 L106A94-K98 VanDerWaalsContact O-CB 3.3Å; A94-K98 WeakPolarHBondContact O-CB 3.45Å; A94-K98 PolarHBondContact O-N 3.1Å; A95-K98 PolarHBondContact O-N 3.28Å; S96-K98 PolarHBondContact O-N 3.5Å; K98-T101 WeakPolarHBondContact CA-OG1 3.48Å; K98-T101 PolarHBondContact O-OG1 2.91Å; K98-L106 HydrophobicContact CG-CD1 3.79Å
99A90.8Very high90.5Very high86 Ų86100.1 Ų100.171%0.71154%0.538SS*.Hα-helixtrans-76.1-31.9179.500000112.8A95 S96 I97A95-A99 WeakPolarHBondContact O-CB 3.45Å; A95-A99 PolarHBondContact O-N 3.31Å; S96-A99 PolarHBondContact O-N 2.9Å; I97-A99 PolarHBondContact O-N 3.33Å
100T92.1Very high91Very high120 Ų120102 Ų10274%0.73655%0.546SS*.Hα-helixtrans-93.2-25.1-179.659.30000113.4S96 I97S96-T100 PolarHBondContact O-N 3.39Å; S96-T100 VanDerWaalsContact O-N 3.09Å; S96-T100 PolarHBondContact O-OG1 3Å; I97-T100 PolarHBondContact O-N 3.34Å; I97-T100 PolarHBondContact O-OG1 3.18Å
101T91.5Very high91.4Very high46 Ų4695.9 Ų95.928%0.28253%0.528SS..SBendtrans-72.9137.8-179.751.60000112.7I97 K98 L106I97-T101 HydrophobicContact CG2-CG2 3.76Å; I97-T101 WeakPolarHBondContact O-CB 3.25Å; I97-T101 WeakPolarHBondContact O-CG2 3.3Å; I97-T101 PolarHBondContact O-N 3.1Å; I97-T101 PolarHBondContact O-OG1 3.23Å; K98-T101 WeakPolarHBondContact CA-OG1 3.48Å; K98-T101 PolarHBondContact O-OG1 2.91Å; T101-L106 WeakPolarHBondContact OG1-CD1 3.45Å; T101-L106 VanDerWaalsContact OG1-CD2 3.25Å; T101-L106 WeakPolarHBondContact OG1-CD2 3.43Å; T101-L106 WeakPolarHBondContact OG1-CG 3.46Å
102D91.7Very high91.7Very high72 Ų7290.8 Ų90.839%0.38551%0.508SS..  trans-54132.4173.4-63.3-48.2000111.1I104 K105 L106D102-I104 PolarHBondContact O-N 3.49Å; D102-K105 HydrophobicContact CB-CB 4.44Å; D102-K105 HydrophobicContact CB-CD 4.05Å; D102-K105 HydrophobicContact CB-CG 4.14Å; D102-K105 WeakPolarHBondContact O-CB 3.34Å; D102-K105 PolarHBondContact O-N 2.9Å; D102-K105 WeakPolarHBondContact OD2-CE 3.43Å; D102-K105 IonicContact OD2-NZ 2.76Å; D102-K105 PolarHBondContact OD2-NZ 3.33Å; D102-L106 PolarHBondContact O-N 3.23Å
103P90.6Very high92.1Very high97 Ų9788.3 Ų88.363%0.6351%0.506SS*.THydrogen-bonded Turntrans-61.2-24.9-177.124.6-34.7000112.8L106 L107P103-L106 PolarHBondContact O-N 2.91Å; P103-L107 WeakPolarHBondContact O-CG 3.48Å
104I92.3Very high92.6Very high91 Ų9187.1 Ų87.147%0.46751%0.508SS..THydrogen-bonded Turntrans-68-38.4175.6-61.4175000111D102 L106 L107 L112D102-I104 PolarHBondContact O-N 3.49Å; I104-L106 PolarHBondContact O-N 3.2Å; I104-L107 PolarHBondContact O-N 3.07Å; I104-L112 HydrophobicContact CG2-CD1 4.32Å
105K91Very high92.9Very high143 Ų14387.6 Ų87.662%0.62250%0.503SS*.THydrogen-bonded Turntrans-72.3-20.7179.4-67.7174.3179.7153.90112.5D102D102-K105 HydrophobicContact CB-CB 4.44Å; D102-K105 HydrophobicContact CB-CD 4.05Å; D102-K105 HydrophobicContact CB-CG 4.14Å; D102-K105 WeakPolarHBondContact O-CB 3.34Å; D102-K105 PolarHBondContact O-N 2.9Å; D102-K105 WeakPolarHBondContact OD2-CE 3.43Å; D102-K105 IonicContact OD2-NZ 2.76Å; D102-K105 PolarHBondContact OD2-NZ 3.33Å
106L91.6Very high93.2Very high83 Ų8388.9 Ų88.944%0.43550%0.501SS..THydrogen-bonded Turntrans-80.5-19.6176.6-67.7179.6000113.7K98 T101 D102 P103 I104K98-L106 HydrophobicContact CG-CD1 3.79Å; T101-L106 WeakPolarHBondContact OG1-CD1 3.45Å; T101-L106 VanDerWaalsContact OG1-CD2 3.25Å; T101-L106 WeakPolarHBondContact OG1-CD2 3.43Å; T101-L106 WeakPolarHBondContact OG1-CG 3.46Å; D102-L106 PolarHBondContact O-N 3.23Å; P103-L106 PolarHBondContact O-N 2.91Å; I104-L106 PolarHBondContact O-N 3.2Å
107L93Very high93.6Very high65 Ų6588.1 Ų88.134%0.3450%0.499SS..SBendtrans-79.2145.3179.8-65.9172.7000110.7P103 I104 E111P103-L107 WeakPolarHBondContact O-CG 3.48Å; I104-L107 PolarHBondContact O-N 3.07Å; L107-E111 HydrophobicContact CB-CB 4.28Å; L107-E111 HydrophobicContact CD2-CB 4.27Å; L107-E111 VanDerWaalsContact CD2-OE2 3.32Å; L107-E111 WeakPolarHBondContact CD2-OE2 3.36Å
108S94Very high94Very high50 Ų5092.5 Ų92.535%0.3551%0.51SS..  trans-69.1160.2169.7720000111T110 E111 L112S108-T110 PolarHBondContact O-N 2.98Å; S108-T110 PolarHBondContact OG-OG1 2.89Å; S108-E111 PolarHBondContact N-OE2 3.43Å; S108-E111 PolarHBondContact O-N 3.36Å; S108-E111 WeakPolarHBondContact OG-CG 3.46Å; S108-E111 PolarHBondContact OG-N 3.42Å; S108-E111 VanDerWaalsContact OG-N 3.1Å; S108-L112 WeakPolarHBondContact O-CB 3.44Å; S108-L112 PolarHBondContact O-N 2.61Å
109E94.9Very high94.3Very high172 Ų17290.4 Ų90.480%0.80451%0.505SS*.Hα-helixtrans-57.1-35.5173.6-173.2178.7-178.800111.9L112 A113E109-L112 PolarHBondContact O-N 2.88Å; E109-A113 VanDerWaalsContact O-CB 3.3Å; E109-A113 WeakPolarHBondContact O-CB 3.3Å; E109-A113 PolarHBondContact O-N 3.46Å
110T95.8Very high94.6Very high108 Ų10891.1 Ų91.166%0.66349%0.493SS*.Hα-helixtrans-67.6-42.5177.857.60000112.3S108 A113 A114S108-T110 PolarHBondContact O-N 2.98Å; S108-T110 PolarHBondContact OG-OG1 2.89Å; T110-A113 PolarHBondContact O-N 3.14Å; T110-A114 WeakPolarHBondContact O-CB 3.34Å; T110-A114 PolarHBondContact O-N 2.92Å
111E95.6Very high94.8Very high97 Ų9790 Ų9045%0.45348%0.482SS..Hα-helixtrans-67.9-40.8175.8-72.9175.9157.500111.4L107 S108 A114 N115L107-E111 HydrophobicContact CB-CB 4.28Å; L107-E111 HydrophobicContact CD2-CB 4.27Å; L107-E111 VanDerWaalsContact CD2-OE2 3.32Å; L107-E111 WeakPolarHBondContact CD2-OE2 3.36Å; S108-E111 PolarHBondContact N-OE2 3.43Å; S108-E111 PolarHBondContact O-N 3.36Å; S108-E111 WeakPolarHBondContact OG-CG 3.46Å; S108-E111 PolarHBondContact OG-N 3.42Å; S108-E111 VanDerWaalsContact OG-N 3.1Å; E111-A114 PolarHBondContact O-N 3.44Å; E111-N115 WeakPolarHBondContact O-CB 3.32Å; E111-N115 PolarHBondContact O-N 3.18Å; E111-N115 PolarHBondContact O-ND2 3.37Å
112L96Very high95Very high67 Ų6790 Ų9035%0.35148%0.483SS..Hα-helixtrans-61.6-46.1175.7-17761.4000111.1I104 S108 E109 A114 N115 I116I104-L112 HydrophobicContact CG2-CD1 4.32Å; S108-L112 WeakPolarHBondContact O-CB 3.44Å; S108-L112 PolarHBondContact O-N 2.61Å; E109-L112 PolarHBondContact O-N 2.88Å; L112-A114 PolarHBondContact O-N 3.08Å; L112-N115 PolarHBondContact O-N 3.12Å; L112-I116 HydrophobicContact CD1-CD1 4.43Å; L112-I116 HydrophobicContact CG-CD1 4.16Å; L112-I116 WeakPolarHBondContact O-CG1 3.5Å; L112-I116 PolarHBondContact O-N 3.34Å
113A96.6Very high95.2Very high56 Ų5694.9 Ų94.946%0.46350%0.495SS..Hα-helixtrans-61.4-4217600000112.1E109 T110 I116 A117E109-A113 VanDerWaalsContact O-CB 3.3Å; E109-A113 WeakPolarHBondContact O-CB 3.3Å; E109-A113 PolarHBondContact O-N 3.46Å; T110-A113 PolarHBondContact O-N 3.14Å; A113-I116 PolarHBondContact O-N 3.28Å; A113-A117 WeakPolarHBondContact O-CB 3.43Å; A113-A117 PolarHBondContact O-N 3.23Å
114A97.2Very high95.5Very high57 Ų5796.8 Ų96.847%0.47149%0.494SS..Hα-helixtrans-62.8-42.6175.700000112.1T110 E111 L112 I116 A117 R118T110-A114 WeakPolarHBondContact O-CB 3.34Å; T110-A114 PolarHBondContact O-N 2.92Å; E111-A114 PolarHBondContact O-N 3.44Å; L112-A114 PolarHBondContact O-N 3.08Å; A114-I116 PolarHBondContact O-N 3.02Å; A114-A117 PolarHBondContact O-N 2.95Å; A114-R118 WeakPolarHBondContact O-CB 3.32Å; A114-R118 PolarHBondContact O-N 2.8Å
115N97Very high95.7Very high68 Ų6897.9 Ų97.936%0.36450%0.497SS..Hα-helixtrans-62.6-42.3175.6-76.3-27.9000111.7E111 L112 R118 L119E111-N115 WeakPolarHBondContact O-CB 3.32Å; E111-N115 PolarHBondContact O-N 3.18Å; E111-N115 PolarHBondContact O-ND2 3.37Å; L112-N115 PolarHBondContact O-N 3.12Å; N115-R118 PolarHBondContact O-N 3.39Å; N115-L119 WeakPolarHBondContact O-CG 3.32Å; N115-L119 PolarHBondContact O-N 2.98Å
116I96.9Very high95.8Very high83 Ų8399.8 Ų99.843%0.42650%0.5SS..Hα-helixtrans-62.5-46.3175-68.5166.5000110.6L112 A113 A114 R118 L119 Q120L112-I116 HydrophobicContact CD1-CD1 4.43Å; L112-I116 HydrophobicContact CG-CD1 4.16Å; L112-I116 WeakPolarHBondContact O-CG1 3.5Å; L112-I116 PolarHBondContact O-N 3.34Å; A113-I116 PolarHBondContact O-N 3.28Å; A114-I116 PolarHBondContact O-N 3.02Å; I116-R118 VanDerWaalsContact C-N 3.32Å; I116-R118 PolarHBondContact O-N 3.46Å; I116-L119 PolarHBondContact O-N 3.29Å; I116-Q120 HydrophobicContact CG2-CG 4.45Å; I116-Q120 WeakPolarHBondContact O-CG 3.49Å; I116-Q120 PolarHBondContact O-N 3.09Å
117A97.3Very high95.9Very high51 Ų51101.3 Ų101.342%0.42151%0.505SS..Hα-helixtrans-60.4-41.7177.600000112A113 A114 L119 Q120 L121A113-A117 WeakPolarHBondContact O-CB 3.43Å; A113-A117 PolarHBondContact O-N 3.23Å; A114-A117 PolarHBondContact O-N 2.95Å; A117-L119 PolarHBondContact O-N 2.87Å; A117-Q120 WeakPolarHBondContact O-CB 3.38Å; A117-Q120 PolarHBondContact O-N 3.22Å; A117-L121 PolarHBondContact O-N 3.5Å
118R97.1Very high95.9Very high185 Ų185103.5 Ų103.570%0.69852%0.517SS*.Hα-helixtrans-60.7-44.8174.2-175-179.2179.1-178.21.6111.7A114 N115 I116 Q120 L121 V122A114-R118 WeakPolarHBondContact O-CB 3.32Å; A114-R118 PolarHBondContact O-N 2.8Å; N115-R118 PolarHBondContact O-N 3.39Å; I116-R118 VanDerWaalsContact C-N 3.32Å; I116-R118 PolarHBondContact O-N 3.46Å; R118-Q120 VanDerWaalsContact C-N 3.34Å; R118-Q120 PolarHBondContact O-N 3.19Å; R118-L121 PolarHBondContact O-N 3.04Å; R118-V122 PolarHBondContact O-N 2.93Å; R118-V122 VanDerWaalsContact O-N 3.17Å
119L97.3Very high95.8Very high101 Ų101104 Ų10453%0.52952%0.524SS..Hα-helixtrans-64.3-37.9176.5-71.6175000112.3N115 I116 A117 L121 V122 R123N115-L119 WeakPolarHBondContact O-CG 3.32Å; N115-L119 PolarHBondContact O-N 2.98Å; I116-L119 PolarHBondContact O-N 3.29Å; A117-L119 PolarHBondContact O-N 2.87Å; L119-L121 VanDerWaalsContact C-N 3.34Å; L119-V122 PolarHBondContact O-N 2.81Å; L119-R123 WeakPolarHBondContact O-CG 3.41Å; L119-R123 PolarHBondContact O-N 3.2Å
120Q97.2Very high95.7Very high101 Ų10198.6 Ų98.647%0.47251%0.509SS..Hα-helixtrans-62.6-40.6175.5-72.4175.2-2.200112I116 A117 R118 R123 K124I116-Q120 HydrophobicContact CG2-CG 4.45Å; I116-Q120 WeakPolarHBondContact O-CG 3.49Å; I116-Q120 PolarHBondContact O-N 3.09Å; A117-Q120 WeakPolarHBondContact O-CB 3.38Å; A117-Q120 PolarHBondContact O-N 3.22Å; R118-Q120 VanDerWaalsContact C-N 3.34Å; R118-Q120 PolarHBondContact O-N 3.19Å; Q120-R123 PolarHBondContact O-N 3.27Å; Q120-K124 WeakPolarHBondContact O-CG 3.31Å; Q120-K124 PolarHBondContact O-N 3.49Å
121L96.1Very high95.5Very high97 Ų9797.4 Ų97.451%0.50850%0.496SS..Hα-helixtrans-61.7-49.1175.7-175151.3000111.1A117 R118 L119 R123 K124 E125A117-L121 PolarHBondContact O-N 3.5Å; R118-L121 PolarHBondContact O-N 3.04Å; L119-L121 VanDerWaalsContact C-N 3.34Å; L121-R123 VanDerWaalsContact C-N 3.29Å; L121-R123 PolarHBondContact O-N 3.43Å; L121-K124 PolarHBondContact O-N 3.12Å; L121-K124 VanDerWaalsContact O-N 3.15Å; L121-E125 VanDerWaalsContact CD2-CD 3.42Å; L121-E125 HydrophobicContact CD2-CG 4.08Å; L121-E125 VanDerWaalsContact CD2-OE1 3.29Å; L121-E125 WeakPolarHBondContact CD2-OE1 3.5Å; L121-E125 WeakPolarHBondContact O-CG 3.4Å; L121-E125 PolarHBondContact O-N 2.78Å
122V96.4Very high95.3Very high47 Ų4799.9 Ų99.929%0.28551%0.505SS..Hα-helixtrans-60.4-38.7177.51740000111.8R118 L119 E125 R126R118-V122 PolarHBondContact O-N 2.93Å; R118-V122 VanDerWaalsContact O-N 3.17Å; L119-V122 PolarHBondContact O-N 2.81Å; V122-E125 PolarHBondContact O-N 3.19Å; V122-R126 HydrophobicContact CG1-CG 4.47Å; V122-R126 WeakPolarHBondContact O-CB 3.37Å; V122-R126 VanDerWaalsContact O-CG 3.25Å; V122-R126 WeakPolarHBondContact O-CG 3.32Å; V122-R126 PolarHBondContact O-N 2.99Å
123R95.9Very high94.8Very high173 Ų173102.4 Ų102.465%0.65352%0.518SS*.Hα-helixtrans-62.1-47.5175-75.3175.5-175.6168.91.9111.4L119 Q120 L121 E125 R126 E127L119-R123 WeakPolarHBondContact O-CG 3.41Å; L119-R123 PolarHBondContact O-N 3.2Å; Q120-R123 PolarHBondContact O-N 3.27Å; L121-R123 VanDerWaalsContact C-N 3.29Å; L121-R123 PolarHBondContact O-N 3.43Å; R123-E125 PolarHBondContact O-N 3Å; R123-R126 PolarHBondContact O-N 2.99Å; R123-E127 WeakPolarHBondContact O-CB 3.32Å; R123-E127 PolarHBondContact O-N 2.99Å
124K96.4Very high94.3Very high137 Ų137105 Ų10560%0.59652%0.52SS*.Hα-helixtrans-60.9-43.4177.1-73.7179.1179.2179.10112.1Q120 L121 R126 E127 L128Q120-K124 WeakPolarHBondContact O-CG 3.31Å; Q120-K124 PolarHBondContact O-N 3.49Å; L121-K124 PolarHBondContact O-N 3.12Å; L121-K124 VanDerWaalsContact O-N 3.15Å; K124-R126 PolarHBondContact O-N 3.4Å; K124-E127 PolarHBondContact O-N 3.47Å; K124-L128 WeakPolarHBondContact O-CB 3.34Å; K124-L128 VanDerWaalsContact O-CG 3.3Å; K124-L128 WeakPolarHBondContact O-CG 3.41Å; K124-L128 PolarHBondContact O-N 3.03Å
125E95.6Very high93.9Very high115 Ų115108.2 Ų108.254%0.53753%0.526SS..Hα-helixtrans-62.7-42.8177.5-72.9-179.5159.500112.3L121 V122 R123 L128 A129L121-E125 VanDerWaalsContact CD2-CD 3.42Å; L121-E125 HydrophobicContact CD2-CG 4.08Å; L121-E125 VanDerWaalsContact CD2-OE1 3.29Å; L121-E125 WeakPolarHBondContact CD2-OE1 3.5Å; L121-E125 WeakPolarHBondContact O-CG 3.4Å; L121-E125 PolarHBondContact O-N 2.78Å; V122-E125 PolarHBondContact O-N 3.19Å; R123-E125 PolarHBondContact O-N 3Å; E125-L128 PolarHBondContact O-N 3.43Å; E125-A129 VanDerWaalsContact O-CB 3.27Å; E125-A129 WeakPolarHBondContact O-CB 3.29Å; E125-A129 PolarHBondContact O-N 2.78Å
126R93.8Very high93.4Very high183 Ų183111.1 Ų111.169%0.69154%0.537SS*.Hα-helixtrans-64.4-41.4176.3-73176.4-177.6-165.92.4111.8V122 R123 K124 A129 A130V122-R126 HydrophobicContact CG1-CG 4.47Å; V122-R126 WeakPolarHBondContact O-CB 3.37Å; V122-R126 VanDerWaalsContact O-CG 3.25Å; V122-R126 WeakPolarHBondContact O-CG 3.32Å; V122-R126 PolarHBondContact O-N 2.99Å; R123-R126 PolarHBondContact O-N 2.99Å; K124-R126 PolarHBondContact O-N 3.4Å; R126-A129 PolarHBondContact O-N 2.91Å; R126-A130 WeakPolarHBondContact O-CB 3.27Å; R126-A130 PolarHBondContact O-N 3.06Å
127E94.4Very high93.1Very high114 Ų114114 Ų11453%0.53355%0.546SS..Hα-helixtrans-63.6-48.3176.2-173.4-178.9176.700111.3R123 K124 A129 A130 Q131R123-E127 WeakPolarHBondContact O-CB 3.32Å; R123-E127 PolarHBondContact O-N 2.99Å; K124-E127 PolarHBondContact O-N 3.47Å; E127-A129 VanDerWaalsContact C-N 3.33Å; E127-A129 PolarHBondContact O-N 3.22Å; E127-A130 PolarHBondContact O-N 3.38Å; E127-Q131 WeakPolarHBondContact O-CB 3.19Å; E127-Q131 WeakPolarHBondContact O-CG 3.26Å; E127-Q131 PolarHBondContact O-N 3.44Å; E127-Q131 PolarHBondContact OE1-NE2 3.43Å
128L93.4Very high92.6Very high112 Ų112116.9 Ų116.959%0.58655%0.551SS**Hα-helixtrans-62.3-38.9176.8-71.4175.6000112.3K124 E125 Q131 K132K124-L128 WeakPolarHBondContact O-CB 3.34Å; K124-L128 VanDerWaalsContact O-CG 3.3Å; K124-L128 WeakPolarHBondContact O-CG 3.41Å; K124-L128 PolarHBondContact O-N 3.03Å; E125-L128 PolarHBondContact O-N 3.43Å; L128-Q131 PolarHBondContact O-N 3.35Å; L128-K132 VanDerWaalsContact O-CB 3.31Å; L128-K132 WeakPolarHBondContact O-CB 3.3Å; L128-K132 PolarHBondContact O-N 2.94Å
129A91.2Very high92.3Very high60 Ų60111 Ų11150%0.49654%0.542SS..Hα-helixtrans-65.3-41.5175.400000112E125 R126 E127 K132 L133E125-A129 VanDerWaalsContact O-CB 3.27Å; E125-A129 WeakPolarHBondContact O-CB 3.29Å; E125-A129 PolarHBondContact O-N 2.78Å; R126-A129 PolarHBondContact O-N 2.91Å; E127-A129 VanDerWaalsContact C-N 3.33Å; E127-A129 PolarHBondContact O-N 3.22Å; A129-K132 PolarHBondContact O-N 2.76Å; A129-L133 WeakPolarHBondContact O-CB 3.49Å; A129-L133 PolarHBondContact O-N 2.93Å
130A93.2Very high91.8Very high59 Ų59115 Ų11549%0.48855%0.55SS.*Hα-helixtrans-65.2-44.7175.400000111.6R126 E127 K132 L133 E134R126-A130 WeakPolarHBondContact O-CB 3.27Å; R126-A130 PolarHBondContact O-N 3.06Å; E127-A130 PolarHBondContact O-N 3.38Å; A130-K132 PolarHBondContact O-N 3.29Å; A130-L133 PolarHBondContact O-N 3.05Å; A130-E134 PolarHBondContact O-N 3.3Å
131Q90.7Very high91.3Very high83 Ų83116.2 Ų116.239%0.38856%0.556SS.*Hα-helixtrans-61.4-42.9175.5-72.8-179.11400111.7E127 L128 L133 E134 Q135E127-Q131 WeakPolarHBondContact O-CB 3.19Å; E127-Q131 WeakPolarHBondContact O-CG 3.26Å; E127-Q131 PolarHBondContact O-N 3.44Å; E127-Q131 PolarHBondContact OE1-NE2 3.43Å; L128-Q131 PolarHBondContact O-N 3.35Å; Q131-L133 VanDerWaalsContact C-N 3.34Å; Q131-L133 PolarHBondContact O-N 3.15Å; Q131-E134 PolarHBondContact O-N 3.25Å; Q131-Q135 WeakPolarHBondContact O-CB 3.4Å; Q131-Q135 VanDerWaalsContact O-CG 3.3Å; Q131-Q135 WeakPolarHBondContact O-CG 3.39Å; Q131-Q135 PolarHBondContact O-N 3.05Å
132K90.9Very high90.9Very high149 Ų149114.5 Ų114.565%0.64856%0.556SS**Hα-helixtrans-61.7-41.9176.2-174.8179.3178.9-178.70111.8L128 A129 A130 E136L128-K132 VanDerWaalsContact O-CB 3.31Å; L128-K132 WeakPolarHBondContact O-CB 3.3Å; L128-K132 PolarHBondContact O-N 2.94Å; A129-K132 PolarHBondContact O-N 2.76Å; A130-K132 PolarHBondContact O-N 3.29Å; K132-E136 WeakPolarHBondContact O-CB 3.15Å; K132-E136 PolarHBondContact O-N 3.43Å
133L86.3Confident90.4Very high119 Ų119118.7 Ų118.762%0.62357%0.573SS**Hα-helixtrans-65.9-40176.7-176.7144.4000111.9A129 A130 Q131 K137A129-L133 WeakPolarHBondContact O-CB 3.49Å; A129-L133 PolarHBondContact O-N 2.93Å; A130-L133 PolarHBondContact O-N 3.05Å; Q131-L133 VanDerWaalsContact C-N 3.34Å; Q131-L133 PolarHBondContact O-N 3.15Å; L133-K137 WeakPolarHBondContact O-CB 3.25Å; L133-K137 PolarHBondContact O-N 3.46Å
134E85.9Confident90Very high110 Ų110119.8 Ų119.851%0.51458%0.577SS.*Hα-helixtrans-66.5-44.7176.2-178166-15700111.9A130 Q131 E136 K137 Q138A130-E134 PolarHBondContact O-N 3.3Å; Q131-E134 PolarHBondContact O-N 3.25Å; E134-E136 PolarHBondContact O-N 3.37Å; E134-K137 PolarHBondContact O-N 3.11Å; E134-Q138 HydrophobicContact CG-CG 4.38Å; E134-Q138 WeakPolarHBondContact O-CB 3.33Å; E134-Q138 VanDerWaalsContact O-CG 3.32Å; E134-Q138 WeakPolarHBondContact O-CG 3.42Å; E134-Q138 PolarHBondContact O-N 2.81Å; E134-Q138 PolarHBondContact OE1-NE2 2.8Å
135Q88.5Confident89.5Confident126 Ų126116 Ų11659%0.58957%0.571SS**Hα-helixtrans-61.8-42175.6-72.9177.32.700112Q131 Q138 A139Q131-Q135 WeakPolarHBondContact O-CB 3.4Å; Q131-Q135 VanDerWaalsContact O-CG 3.3Å; Q131-Q135 WeakPolarHBondContact O-CG 3.39Å; Q131-Q135 PolarHBondContact O-N 3.05Å; Q135-Q138 PolarHBondContact O-N 3.23Å; Q135-A139 VanDerWaalsContact O-CB 3.29Å; Q135-A139 WeakPolarHBondContact O-CB 3.48Å; Q135-A139 PolarHBondContact O-N 3.29Å
136E87.7Confident89Confident129 Ų129113.3 Ų113.360%0.60357%0.569SS**Hα-helixtrans-63.3-42.6175.5-173.5-176.5160.600111.4K132 E134 A139 R140K132-E136 WeakPolarHBondContact O-CB 3.15Å; K132-E136 PolarHBondContact O-N 3.43Å; E134-E136 PolarHBondContact O-N 3.37Å; E136-A139 PolarHBondContact O-N 3.09Å; E136-R140 VanDerWaalsContact O-CB 3.27Å; E136-R140 WeakPolarHBondContact O-CB 3.3Å; E136-R140 PolarHBondContact O-N 2.94Å
137K89.6Confident88.6Confident142 Ų142108 Ų10862%0.61756%0.556SS**Hα-helixtrans-63-46.3176.5-174.5-177175-170.40111.5L133 E134 R140 E141L133-K137 WeakPolarHBondContact O-CB 3.25Å; L133-K137 PolarHBondContact O-N 3.46Å; E134-K137 PolarHBondContact O-N 3.11Å; K137-R140 PolarHBondContact O-N 3.11Å; K137-E141 WeakPolarHBondContact O-CB 3.39Å; K137-E141 PolarHBondContact O-N 2.9Å
138Q87.7Confident88.2Confident112 Ų112104.8 Ų104.852%0.52355%0.55SS..Hα-helixtrans-63.5-42.8177.4-72.2-179.311.200111.5E134 Q135 E141 A142E134-Q138 HydrophobicContact CG-CG 4.38Å; E134-Q138 WeakPolarHBondContact O-CB 3.33Å; E134-Q138 VanDerWaalsContact O-CG 3.32Å; E134-Q138 WeakPolarHBondContact O-CG 3.42Å; E134-Q138 PolarHBondContact O-N 2.81Å; E134-Q138 PolarHBondContact OE1-NE2 2.8Å; Q135-Q138 PolarHBondContact O-N 3.23Å; Q138-E141 PolarHBondContact O-N 3.23Å; Q138-A142 WeakPolarHBondContact O-CB 3.4Å; Q138-A142 PolarHBondContact O-N 2.99Å
139A89.5Confident87.6Confident62 Ų62102 Ų10251%0.51254%0.542SS..Hα-helixtrans-64.3-41.8176.300000112.1Q135 E136 A142 Q143Q135-A139 VanDerWaalsContact O-CB 3.29Å; Q135-A139 WeakPolarHBondContact O-CB 3.48Å; Q135-A139 PolarHBondContact O-N 3.29Å; E136-A139 PolarHBondContact O-N 3.09Å; A139-A142 PolarHBondContact O-N 3.25Å; A139-Q143 WeakPolarHBondContact O-CB 3.38Å; A139-Q143 PolarHBondContact O-N 3.01Å
140R88Confident87.1Confident184 Ų184101.8 Ų101.869%0.69454%0.541SS*.Hα-helixtrans-65.3-39.1175.7-174176.8-179.3175.60.7111.8E136 K137 R144E136-R140 VanDerWaalsContact O-CB 3.27Å; E136-R140 WeakPolarHBondContact O-CB 3.3Å; E136-R140 PolarHBondContact O-N 2.94Å; K137-R140 PolarHBondContact O-N 3.11Å; R140-R144 WeakPolarHBondContact O-CB 3.27Å; R140-R144 PolarHBondContact O-N 2.98Å
141E85.6Confident86.5Confident127 Ų127106.1 Ų106.159%0.59355%0.549SS*.Hα-helixtrans-68.3-43.9175.5-174.9169.5-177.800111.7K137 Q138 Q143 R144 A145K137-E141 WeakPolarHBondContact O-CB 3.39Å; K137-E141 PolarHBondContact O-N 2.9Å; Q138-E141 PolarHBondContact O-N 3.23Å; E141-Q143 VanDerWaalsContact C-N 3.32Å; E141-Q143 PolarHBondContact O-N 2.73Å; E141-R144 CarbonylContact O-C 3.56Å; E141-R144 PolarHBondContact O-N 2.98Å; E141-R144 VanDerWaalsContact O-N 3.15Å; E141-A145 WeakPolarHBondContact O-CB 3.31Å; E141-A145 PolarHBondContact O-N 3.01Å
142A87.8Confident85.6Confident62 Ų62111.5 Ų111.551%0.51257%0.565SS.*Hα-helixtrans-60.2-41.7174.200000111.6Q138 A139 A145 A146Q138-A142 WeakPolarHBondContact O-CB 3.4Å; Q138-A142 PolarHBondContact O-N 2.99Å; A139-A142 PolarHBondContact O-N 3.25Å; A142-A145 PolarHBondContact O-N 2.84Å; A142-A146 VanDerWaalsContact O-CB 3.3Å; A142-A146 WeakPolarHBondContact O-CB 3.29Å; A142-A146 PolarHBondContact O-N 3.35Å
143Q86.8Confident84.4Confident135 Ų135108.8 Ų108.863%0.63156%0.562SS**Hα-helixtrans-64.5-42.3173.8-169.6-174.73000111.6A139 E141 A145 A146 T147A139-Q143 WeakPolarHBondContact O-CB 3.38Å; A139-Q143 PolarHBondContact O-N 3.01Å; E141-Q143 VanDerWaalsContact C-N 3.32Å; E141-Q143 PolarHBondContact O-N 2.73Å; Q143-A145 VanDerWaalsContact C-N 3.34Å; Q143-A146 PolarHBondContact O-N 3.26Å; Q143-T147 WeakPolarHBondContact O-CB 3.26Å; Q143-T147 VanDerWaalsContact O-CG2 3.29Å; Q143-T147 WeakPolarHBondContact O-CG2 3.44Å; Q143-T147 PolarHBondContact O-N 3.37Å; Q143-T147 PolarHBondContact O-OG1 3.16Å
144R87.4Confident83.3Confident196 Ų196107 Ų10774%0.7456%0.559SS**Hα-helixtrans-64.3-39.8175.9-171.5178.8-179-176.2-0.1111.5R140 E141 T147 A148R140-R144 WeakPolarHBondContact O-CB 3.27Å; R140-R144 PolarHBondContact O-N 2.98Å; E141-R144 CarbonylContact O-C 3.56Å; E141-R144 PolarHBondContact O-N 2.98Å; E141-R144 VanDerWaalsContact O-N 3.15Å; R144-T147 WeakPolarHBondContact CA-OG1 3.15Å; R144-T147 PolarHBondContact O-OG1 2.87Å; R144-A148 VanDerWaalsContact O-CB 3.23Å; R144-A148 WeakPolarHBondContact O-CB 3.42Å; R144-A148 PolarHBondContact O-N 2.96Å
145A86.6Confident82.1Confident56 Ų56110 Ų11046%0.46357%0.573SS.*Hα-helixtrans-67.5-45.1176.400000111.4E141 A142 Q143 A148 A149E141-A145 WeakPolarHBondContact O-CB 3.31Å; E141-A145 PolarHBondContact O-N 3.01Å; A142-A145 PolarHBondContact O-N 2.84Å; Q143-A145 VanDerWaalsContact C-N 3.34Å; A145-A148 PolarHBondContact O-N 3.1Å; A145-A149 WeakPolarHBondContact O-CB 3.4Å; A145-A149 PolarHBondContact O-N 2.94Å
146A84.5Confident80.5Confident60 Ų60109.3 Ų109.350%0.49658%0.577SS.*Hα-helixtrans-62.7-44176.800000112A142 Q143 A149 A150A142-A146 VanDerWaalsContact O-CB 3.3Å; A142-A146 WeakPolarHBondContact O-CB 3.29Å; A142-A146 PolarHBondContact O-N 3.35Å; Q143-A146 PolarHBondContact O-N 3.26Å; A146-A149 PolarHBondContact O-N 3.15Å; A146-A150 WeakPolarHBondContact O-CB 3.21Å; A146-A150 PolarHBondContact O-N 3.29Å
147T84.9Confident79Confident70 Ų70111.4 Ų111.443%0.42958%0.584SS.*Hα-helixtrans-67.2-37.3175.9530000112.3Q143 R144 K151Q143-T147 WeakPolarHBondContact O-CB 3.26Å; Q143-T147 VanDerWaalsContact O-CG2 3.29Å; Q143-T147 WeakPolarHBondContact O-CG2 3.44Å; Q143-T147 PolarHBondContact O-N 3.37Å; Q143-T147 PolarHBondContact O-OG1 3.16Å; R144-T147 WeakPolarHBondContact CA-OG1 3.15Å; R144-T147 PolarHBondContact O-OG1 2.87Å; T147-K151 WeakPolarHBondContact O-CG 3.16Å; T147-K151 PolarHBondContact O-N 2.93Å; T147-K151 VanDerWaalsContact O-N 3.07Å
148A85.7Confident77.1Confident48 Ų48110.3 Ų110.340%0.39759%0.592SS.*Hα-helixtrans-65.9-41.4173.100000112.1R144 A145 K151 R152R144-A148 VanDerWaalsContact O-CB 3.23Å; R144-A148 WeakPolarHBondContact O-CB 3.42Å; R144-A148 PolarHBondContact O-N 2.96Å; A145-A148 PolarHBondContact O-N 3.1Å; A148-K151 PolarHBondContact O-N 3.43Å; A148-R152 WeakPolarHBondContact O-CG 3.39Å; A148-R152 PolarHBondContact O-N 3.25Å
149A82.3Confident75.3Confident52 Ų52113.4 Ų113.443%0.4361%0.606SS.*Hα-helixtrans-63.2-45.5175.600000111.7A145 A146 K151 R152 T153A145-A149 WeakPolarHBondContact O-CB 3.4Å; A145-A149 PolarHBondContact O-N 2.94Å; A146-A149 PolarHBondContact O-N 3.15Å; A149-K151 VanDerWaalsContact C-N 3.32Å; A149-K151 PolarHBondContact O-N 3.32Å; A149-R152 PolarHBondContact O-N 3.1Å; A149-R152 VanDerWaalsContact O-N 3.15Å; A149-T153 PolarHBondContact O-N 3.31Å
150A79.8Confident73.7Confident57 Ų57119.4 Ų119.447%0.47162%0.624SS.*Hα-helixtrans-61.7-37.2176.300000112.7A146 T153 S154A146-A150 WeakPolarHBondContact O-CB 3.21Å; A146-A150 PolarHBondContact O-N 3.29Å; A150-T153 PolarHBondContact O-OG1 3.47Å; A150-S154 PolarHBondContact O-N 2.81Å
151K80.3Confident71.7Confident149 Ų149120 Ų12065%0.64863%0.632SS**Hα-helixtrans-65.1-42.1173.7-74.8175.3-178.8-177.90111.7T147 A148 A149 T153 S154 Q155T147-K151 WeakPolarHBondContact O-CG 3.16Å; T147-K151 PolarHBondContact O-N 2.93Å; T147-K151 VanDerWaalsContact O-N 3.07Å; A148-K151 PolarHBondContact O-N 3.43Å; A149-K151 VanDerWaalsContact C-N 3.32Å; A149-K151 PolarHBondContact O-N 3.32Å; K151-T153 PolarHBondContact O-N 3.2Å; K151-S154 PolarHBondContact O-N 2.94Å; K151-S154 PolarHBondContact O-OG 2.72Å; K151-Q155 PolarHBondContact O-N 2.8Å
152R72.7Confident70.1Confident196 Ų196119.7 Ų119.774%0.7464%0.644SS**Hα-helixtrans-63.3-39178.1-72.1178.271.1179.72.2112.5A148 A149 S154 Q155A148-R152 WeakPolarHBondContact O-CG 3.39Å; A148-R152 PolarHBondContact O-N 3.25Å; A149-R152 PolarHBondContact O-N 3.1Å; A149-R152 VanDerWaalsContact O-N 3.15Å; R152-S154 VanDerWaalsContact C-N 3.33Å; R152-S154 PolarHBondContact O-N 3.27Å; R152-Q155 PolarHBondContact O-N 2.89Å
153T66Low68.4Low93 Ų93120.2 Ų120.257%0.57165%0.654SS**Hα-helixtrans-72-25.8177.860.20000113.1A149 A150 K151 T156A149-T153 PolarHBondContact O-N 3.31Å; A150-T153 PolarHBondContact O-OG1 3.47Å; K151-T153 PolarHBondContact O-N 3.2Å; T153-T156 PolarHBondContact O-OG1 2.78Å
154S62.2Low66.8Low81 Ų81125.2 Ų125.257%0.56667%0.668SS**Hα-helixtrans-75.1-23.8176.172.40000114.1A150 K151 R152A150-S154 PolarHBondContact O-N 2.81Å; K151-S154 PolarHBondContact O-N 2.94Å; K151-S154 PolarHBondContact O-OG 2.72Å; R152-S154 VanDerWaalsContact C-N 3.33Å; R152-S154 PolarHBondContact O-N 3.27Å
155Q59.7Low65.4Low174 Ų174121.1 Ų121.181%0.81367%0.669SS**Hα-helixtrans-88.1-10.1-179.2-69.3-160.1-15.700114.3K151 R152K151-Q155 PolarHBondContact O-N 2.8Å; R152-Q155 PolarHBondContact O-N 2.89Å
156T56.2Low63.7Low110 Ų110121.8 Ų121.868%0.67568%0.682SS**  trans-1028.6-176.857.10000114.6T153 P158T153-T156 PolarHBondContact O-OG1 2.78Å; T156-P158 WeakPolarHBondContact O-CD 3.48Å
157K55.6Low62.5Low173 Ų173128.7 Ų128.775%0.75270%0.7SS**SBendtrans-78.6117.6171.4-73.4-170.4177.6-177.30110.2Q159K157-Q159 PolarHBondContact O-N 2.84Å
158P49.4Very low61.1Low119 Ų119133.6 Ų133.677%0.77372%0.719SS**  trans-66.7132.6178.126.9-31.6000110T156 Q160T156-P158 WeakPolarHBondContact O-CD 3.48Å; P158-Q160 PolarHBondContact O-N 3Å
159Q51.5Low59.8Low177 Ų177139.6 Ų139.683%0.82774%0.738SS**  trans-61.4106.5177.5-68.3-162.1-23.500110.7K157K157-Q159 PolarHBondContact O-N 2.84Å
160Q55.2Low58.9Low189 Ų189143.1 Ų143.188%0.88375%0.754SS**  trans-94.3115155.6-74-165.3-39.800108.7P158 S162P158-Q160 PolarHBondContact O-N 3Å; Q160-S162 PolarHBondContact O-N 2.84Å
161K46.3Very low57.7Low196 Ų196148.2 Ų148.285%0.85277%0.774SS**  trans-74114.4179.8-67.2178.9175.8178.60110.5
162S52Low56.9Low121 Ų121146.6 Ų146.685%0.84678%0.781SS**  trans-163.212714657.70000104.3Q160Q160-S162 PolarHBondContact O-N 2.84Å
163G51.3Low56.4Low72 Ų72145.1 Ų145.174%0.74279%0.788SS**  131.287.353.500000106.5
164R53.5Low56.3Low240 Ų240148.8 Ų148.891%0.90680%0.796SS**  trans74.4122.4141.1-152167.6175.7160.8-2.3120.4
165S58.2Low56.1Low111 Ų111153.1 Ų153.178%0.77681%0.807SS**  trans71.7105.6145.466.40000120.7
166G51.6Low56Low70 Ų70151.9 Ų151.972%0.72280%0.801SS**  91.892.6105.100000116.3
167K58.4Low56.2Low205 Ų205154.5 Ų154.589%0.89181%0.806SS**  trans-164122.4134.7-111.6153.2-178.1174.70110.9
168Q56Low56.4Low173 Ų173152.6 Ų152.681%0.80881%0.809SS**  trans-67147.7168-57.4-170.8-34.400109.2
169H58.6Low56.9Low174 Ų174152.2 Ų152.281%0.80680%0.804SS**  trans-164.1103.2136.9-83.7-55.6000109.9
170T62.2Low57.3Low125 Ų125150.9 Ų150.977%0.76780%0.802SS**  trans45.3123.1133.158.10000121.2
171N55Low57.7Low165 Ų165149.4 Ų149.488%0.88280%0.795SS**  trans-54.8139.9167.5-57.6-34.6000113.3
172S63.6Low58Low115 Ų115150.8 Ų150.880%0.80480%0.795SS**  trans-136.5104.9151.1500000109K174S172-K174 PolarHBondContact O-N 3Å
173N61Low58.6Low164 Ų164151.2 Ų151.288%0.87779%0.788SS**  trans-66121.2162.6-89.4-16.9000107.2
174K64.7Low59.1Low171 Ų171153.7 Ų153.774%0.74378%0.784SS**  trans-110.890.7170.8-143172.1-174.2177.50107.6S172 H176S172-K174 PolarHBondContact O-N 3Å; K174-H176 PolarHBondContact O-N 3.41Å
175E59.1Low59.5Low171 Ų171148.3 Ų148.380%0.79977%0.772SS**  trans-61117.9161.7-75.9179.7141.800108.1
176H56.6Low59.5Low148 Ų148151.2 Ų151.269%0.68578%0.779SS**  trans-106.793.2163.6-80-69.1000107.5K174 T178K174-H176 PolarHBondContact O-N 3.41Å; H176-T178 PolarHBondContact O-N 2.71Å
177Q61Low60Low166 Ų166152.5 Ų152.578%0.77678%0.777SS**  trans-70.8112.1157.6-74.4-178.59.300107.8
178T58.9Low60.1Low133 Ų133147.6 Ų147.682%0.81677%0.768SS**  trans-95.2104.616340.50000108.5H176 N180H176-T178 PolarHBondContact O-N 2.71Å; T178-N180 PolarHBondContact O-N 3.41Å
179V61.2Low60.5Low110 Ų110147.5 Ų147.567%0.66777%0.768SS**  trans-67.7113.8172.5173.20000108.3Q181V179-Q181 HydrophobicContact CG1-CG 4.1Å; V179-Q181 PolarHBondContact O-N 2.65Å; V179-Q181 VanDerWaalsContact O-N 3.1Å
180N58.6Low60.9Low150 Ų150145.9 Ų145.980%0.80276%0.764SS**  trans-67.197.8167.4-110.2-16.3000108.8T178 R182T178-N180 PolarHBondContact O-N 3.41Å; N180-R182 PolarHBondContact O-N 3.3Å
181Q63.4Low61.1Low157 Ų157145.3 Ų145.373%0.73476%0.76SS**  trans-83.798.5165.4-66.8-170.927.600108.7V179 N183V179-Q181 HydrophobicContact CG1-CG 4.1Å; V179-Q181 PolarHBondContact O-N 2.65Å; V179-Q181 VanDerWaalsContact O-N 3.1Å; Q181-N183 PolarHBondContact O-N 2.96Å
182R53.4Low61.7Low225 Ų225144.8 Ų144.885%0.84976%0.758SS**  trans-82.7101.3157.5-72.7179.6179.8159-1107.1N180N180-R182 PolarHBondContact O-N 3.3Å
183N63.6Low62Low130 Ų130146 Ų14670%0.69576%0.755SS**  trans-137.6145.8164.9-80.3-21.4000105.5Q181Q181-N183 PolarHBondContact O-N 2.96Å
184N63.1Low61.8Low125 Ų125149.1 Ų149.167%0.66877%0.772SS**  cis-177.8152.6-15.5-157.84.2000103.1
185I60.8Low61.7Low127 Ų127148 Ų14865%0.65177%0.773SS**  trans68100154.6-57.3146.5000116.8S187I185-S187 PolarHBondContact O-N 2.91Å
186N58.6Low61.8Low172 Ų172146.8 Ų146.892%0.9277%0.772SS**  trans-56.8108.3142-66.8-34.9000108.1
187S61.3Low62.1Low97 Ų97146.7 Ų146.768%0.67878%0.776SS**  trans-97.1108.8164.1176.40000107.3I185 E189I185-S187 PolarHBondContact O-N 2.91Å; S187-E189 PolarHBondContact O-N 2.89Å
188S60.9Low62.2Low101 Ų101145.6 Ų145.671%0.70678%0.776SS**  trans-64105.6164.950.50000109.4I190S188-I190 PolarHBondContact O-N 3.02Å
189E64.7Low62.4Low172 Ų172146.4 Ų146.480%0.80477%0.774SS**  trans-84.899.3154.9-87.6179156.200107.3S187S187-E189 PolarHBondContact O-N 2.89Å
190I66.4Low62.5Low139 Ų139148.8 Ų148.871%0.71378%0.781SS**  trans-84.2110.9153.9-76.8160.9000104.6S188S188-I190 PolarHBondContact O-N 3.02Å
191T68Low62.8Low113 Ų113148.7 Ų148.769%0.69378%0.78SS**  trans-113.896.5163.852.40000106.5
192D66.1Low62.7Low155 Ų155148.1 Ų148.183%0.82978%0.783SS**  trans-84.8117.3156.5-77.4-42000106.3
193D70.5Confident63.5Low141 Ų141141.7 Ų141.775%0.75478%0.778SS**  trans-123.7115.3175.6-126.3-17.9000107.8
194N57.9Low63.5Low228 Ų228142.7 Ų142.7100%1.21979%0.785SS**  trans68.60170.3-64.6-50.7000120.7

Retrieved 194 of 194 residues in 109.7 ms (Link to these results)