A0A5K4F7Q5_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F7Q5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 88 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
1M52.2Low52.8Low244 Ų244132.9 Ų132.9100%1.20273%0.726SS**  0116.70-70.81589900105.7D3M1-D3 PolarHBondContact O-N 2.87Å
2V52.2Low52.2Low145 Ų145131.2 Ų131.288%0.87972%0.716SS**  trans-73.7115.2176.9179.20000106.5K4V2-K4 PolarHBondContact O-N 3.25Å
3D51.7Low51.7Low120 Ų120128 Ų12864%0.64270%0.703SS**  trans-61.3119.2-177.2-150.4-69.3000109.5M1 S5M1-D3 PolarHBondContact O-N 2.87Å; D3-S5 PolarHBondContact O-N 3.17Å; D3-S5 VanDerWaalsContact OD1-CB 3.32Å; D3-S5 WeakPolarHBondContact OD1-CB 3.32Å; D3-S5 PolarHBondContact OD1-N 3.16Å; D3-S5 PolarHBondContact OD1-OG 3.37Å
4K59.1Low51.4Low182 Ų182129.7 Ų129.779%0.79170%0.703SS**G310 helixtrans-79.34.5-175.2-88.6-177.6172.3-173.70113.3V2V2-K4 PolarHBondContact O-N 3.25Å
5S60.6Low51.4Low94 Ų94127.1 Ų127.166%0.65769%0.693SS**G310 helixtrans-84.7-12.8-172.5-520000114.6D3D3-S5 PolarHBondContact O-N 3.17Å; D3-S5 VanDerWaalsContact OD1-CB 3.32Å; D3-S5 WeakPolarHBondContact OD1-CB 3.32Å; D3-S5 PolarHBondContact OD1-N 3.16Å; D3-S5 PolarHBondContact OD1-OG 3.37Å
6E50.5Low51.8Low169 Ų169125.9 Ų125.979%0.7968%0.681SS**G310 helixtrans-88.2-9.3-173.8-146.1175.4107.200114.1
7I51.4Low52.3Low113 Ų113126.2 Ų126.258%0.57968%0.677SS**SBendtrans-86.8-18.7-171.7-60.8159.8000112.5
8S53Low53.2Low94 Ų94123.8 Ų123.866%0.65766%0.664SS**Hα-helixtrans-87.8-21.2-177.8-62.60000114.2
9A48.4Very low54.4Low71 Ų71121.4 Ų121.459%0.58766%0.657SS**Hα-helixtrans-75.8-24-177.400000113.4V13A9-V13 WeakPolarHBondContact O-CG2 3.32Å
10T51.6Low55.9Low89 Ų89122 Ų12255%0.54665%0.654SS.*Hα-helixtrans-84.6-34.7-177.434.70000113.4V13 E14T10-V13 PolarHBondContact O-N 3.5Å; T10-E14 PolarHBondContact O-N 3.3Å
11Q50.4Low57.2Low141 Ų141121.5 Ų121.566%0.65965%0.647SS**Hα-helixtrans-70.6-33.2-179.7-79.4-172.2-19.100114T15Q11-T15 PolarHBondContact O-N 3.32Å; Q11-T15 PolarHBondContact O-OG1 3.42Å
12D45.5Very low58.8Low112 Ų112115.4 Ų115.460%0.59961%0.614SS**Hα-helixtrans-72-33.7179.2-149.3-88.8000111.4T15 H16D12-T15 PolarHBondContact O-OG1 3.29Å; D12-H16 WeakPolarHBondContact O-CB 3.43Å; D12-H16 PolarHBondContact O-N 3.32Å
13V45.4Very low60.6Low90 Ų90115.4 Ų115.455%0.54560%0.602SS.*Hα-helixtrans-71.8-36.7178.1177.90000111.9A9 T10 H17A9-V13 WeakPolarHBondContact O-CG2 3.32Å; T10-V13 PolarHBondContact O-N 3.5Å; V13-H17 PolarHBondContact O-N 3.05Å
14E47.8Very low62.4Low152 Ų152117.4 Ų117.471%0.7161%0.605SS**Hα-helixtrans-69.6-43.6-177.8-139.6180113.300112.3T10 H16 H17 D18T10-E14 PolarHBondContact O-N 3.3Å; E14-H16 VanDerWaalsContact C-N 3.32Å; E14-H16 PolarHBondContact O-N 3.41Å; E14-H17 PolarHBondContact O-N 2.75Å; E14-D18 PolarHBondContact O-N 3.35Å
15T51.2Low63.8Low91 Ų91113 Ų11356%0.55858%0.584SS**Hα-helixtrans-67-32.417749.40000112.8Q11 D12 S19Q11-T15 PolarHBondContact O-N 3.32Å; Q11-T15 PolarHBondContact O-OG1 3.42Å; D12-T15 PolarHBondContact O-OG1 3.29Å; T15-S19 PolarHBondContact O-N 3.3Å; T15-S19 PolarHBondContact O-OG 3.23Å
16H57.6Low65.3Low107 Ų107112.6 Ų112.650%0.49557%0.574SS.*Hα-helixtrans-73.8-28.6179.1-143.4-54.1000112.9D12 E14 K20D12-H16 WeakPolarHBondContact O-CB 3.43Å; D12-H16 PolarHBondContact O-N 3.32Å; E14-H16 VanDerWaalsContact C-N 3.32Å; E14-H16 PolarHBondContact O-N 3.41Å; H16-K20 PolarHBondContact O-N 3.34Å
17H61.3Low67.4Low131 Ų131110.7 Ų110.761%0.60656%0.564SS**Hα-helixtrans-71.1-43.6173.3-106.8-94.1000111.9V13 E14 S19 K20 Q21V13-H17 PolarHBondContact O-N 3.05Å; E14-H17 PolarHBondContact O-N 2.75Å; H17-S19 VanDerWaalsContact C-N 3.34Å; H17-S19 PolarHBondContact O-N 3.3Å; H17-K20 PolarHBondContact O-N 3.27Å; H17-Q21 WeakPolarHBondContact O-CB 3.26Å; H17-Q21 PolarHBondContact O-N 3.14Å
18D67.1Low69.4Low84 Ų84107.6 Ų107.645%0.44955%0.546SS..Hα-helixtrans-61.9-42.7-179.8-161.8-88.7000111.6E14 K20 Q21 K22E14-D18 PolarHBondContact O-N 3.35Å; D18-K20 PolarHBondContact O-N 3.36Å; D18-Q21 PolarHBondContact O-N 3.46Å; D18-Q21 VanDerWaalsContact O-N 3.14Å; D18-K22 VanDerWaalsContact O-CB 3.26Å; D18-K22 WeakPolarHBondContact O-CB 3.43Å; D18-K22 PolarHBondContact O-N 3.4Å
19S77.4Confident71.3Confident77 Ų77105.5 Ų105.554%0.53853%0.527SS..Hα-helixtrans-59.7-42.6177.7-66.20000113T15 H17 K23T15-S19 PolarHBondContact O-N 3.3Å; T15-S19 PolarHBondContact O-OG 3.23Å; H17-S19 VanDerWaalsContact C-N 3.34Å; H17-S19 PolarHBondContact O-N 3.3Å; S19-K23 WeakPolarHBondContact O-CB 3.5Å; S19-K23 PolarHBondContact O-N 2.87Å
20K82.9Confident73.5Confident133 Ų133106.6 Ų106.658%0.57852%0.523SS*.Hα-helixtrans-66.5-41.3175.9-75.4179.3-179.8171.70111.3H16 H17 D18 K23 K24H16-K20 PolarHBondContact O-N 3.34Å; H17-K20 PolarHBondContact O-N 3.27Å; D18-K20 PolarHBondContact O-N 3.36Å; K20-K23 PolarHBondContact O-N 2.99Å; K20-K24 PolarHBondContact O-N 3.11Å; K20-K24 VanDerWaalsContact O-N 3.11Å
21Q84Confident75.6Confident112 Ų112107.5 Ų107.552%0.52352%0.524SS..Hα-helixtrans-70-42.1-179.1-143.7-170.829.900111.4H17 D18 K23 K24 R25H17-Q21 WeakPolarHBondContact O-CB 3.26Å; H17-Q21 PolarHBondContact O-N 3.14Å; D18-Q21 PolarHBondContact O-N 3.46Å; D18-Q21 VanDerWaalsContact O-N 3.14Å; Q21-K23 VanDerWaalsContact C-N 3.34Å; Q21-K23 PolarHBondContact O-N 3.11Å; Q21-K24 WeakPolarHBondContact O-CB 3.37Å; Q21-K24 PolarHBondContact O-N 3.38Å; Q21-K24 VanDerWaalsContact O-N 3.11Å; Q21-R25 WeakPolarHBondContact O-CG 3.44Å; Q21-R25 PolarHBondContact O-N 3.49Å
22K85.8Confident77.6Confident116 Ų116101.1 Ų101.150%0.50449%0.494SS..Hα-helixtrans-57.6-44.9172.5-174.2175.6-179.7176.30111.5D18 K24 R25 N26D18-K22 VanDerWaalsContact O-CB 3.26Å; D18-K22 WeakPolarHBondContact O-CB 3.43Å; D18-K22 PolarHBondContact O-N 3.4Å; K22-K24 VanDerWaalsContact C-N 3.3Å; K22-K24 PolarHBondContact O-N 3.44Å; K22-R25 PolarHBondContact O-N 2.89Å; K22-N26 PolarHBondContact O-N 3.35Å; K22-N26 PolarHBondContact O-OD1 3.18Å
23K89.8Confident80Confident145 Ų14598.2 Ų98.263%0.6348%0.479SS*.Hα-helixtrans-61.2-38175.4-167.6171.4-174.7172.30112.3S19 K20 Q21 K27S19-K23 WeakPolarHBondContact O-CB 3.5Å; S19-K23 PolarHBondContact O-N 2.87Å; K20-K23 PolarHBondContact O-N 2.99Å; Q21-K23 VanDerWaalsContact C-N 3.34Å; Q21-K23 PolarHBondContact O-N 3.11Å; K23-K27 WeakPolarHBondContact O-CB 3.43Å; K23-K27 WeakPolarHBondContact O-CG 3.4Å; K23-K27 PolarHBondContact O-N 2.98Å; K23-K27 VanDerWaalsContact O-N 3.12Å
24K89.9Confident82.3Confident162 Ų162101.6 Ų101.670%0.70449%0.486SS*.Hα-helixtrans-66.1-44.2173.2-75.6-177.3176.1-176.90112K20 Q21 K22 K27 F28K20-K24 PolarHBondContact O-N 3.11Å; K20-K24 VanDerWaalsContact O-N 3.11Å; Q21-K24 WeakPolarHBondContact O-CB 3.37Å; Q21-K24 PolarHBondContact O-N 3.38Å; Q21-K24 VanDerWaalsContact O-N 3.11Å; K22-K24 VanDerWaalsContact C-N 3.3Å; K22-K24 PolarHBondContact O-N 3.44Å; K24-K27 PolarHBondContact O-N 3.18Å; K24-F28 PolarHBondContact O-N 3.45Å
25R88.4Confident84.6Confident89 Ų89100.7 Ų100.734%0.33648%0.482SS..Hα-helixtrans-59.7-47.7176.9-69-169.8-63-98.13.3111.8Q21 K22 K27 F28 I29Q21-R25 WeakPolarHBondContact O-CG 3.44Å; Q21-R25 PolarHBondContact O-N 3.49Å; K22-R25 PolarHBondContact O-N 2.89Å; R25-K27 PolarHBondContact O-N 2.89Å; R25-F28 WeakPolarHBondContact O-CB 3.42Å; R25-F28 PolarHBondContact O-N 3.46Å; R25-I29 WeakPolarHBondContact O-CG1 3.47Å; R25-I29 PolarHBondContact O-N 3.12Å
26N92.1Very high86.6Confident87 Ų8797.8 Ų97.847%0.46546%0.462SS..Hα-helixtrans-61.6-45.1177.7-77.325000111.7K22 F28 I29 D30K22-N26 PolarHBondContact O-N 3.35Å; K22-N26 PolarHBondContact O-OD1 3.18Å; N26-F28 VanDerWaalsContact C-N 3.28Å; N26-F28 PolarHBondContact O-N 2.92Å; N26-I29 PolarHBondContact O-N 3.36Å; N26-D30 WeakPolarHBondContact O-CB 3.28Å; N26-D30 VanDerWaalsContact O-CG 3.3Å; N26-D30 PolarHBondContact O-N 2.94Å
27K94.3Very high88.3Confident129 Ų12996.7 Ų96.756%0.56147%0.465SS*.Hα-helixtrans-59.2-40.1175.4-81.6-172.8174.1-166.20112.7K23 K24 R25 L31K23-K27 WeakPolarHBondContact O-CB 3.43Å; K23-K27 WeakPolarHBondContact O-CG 3.4Å; K23-K27 PolarHBondContact O-N 2.98Å; K23-K27 VanDerWaalsContact O-N 3.12Å; K24-K27 PolarHBondContact O-N 3.18Å; R25-K27 PolarHBondContact O-N 2.89Å; K27-L31 WeakPolarHBondContact O-CB 3.37Å; K27-L31 VanDerWaalsContact O-CG 3.24Å; K27-L31 WeakPolarHBondContact O-CG 3.15Å; K27-L31 PolarHBondContact O-N 3.15Å
28F93Very high89.8Confident48 Ų4899.3 Ų99.321%0.21148%0.477CS..Hα-helixtrans-61.8-52.3176.8172.9-102.4000110.7K24 R25 N26 D30 L31 T32 K52 Y53 L56K24-F28 PolarHBondContact O-N 3.45Å; R25-F28 WeakPolarHBondContact O-CB 3.42Å; R25-F28 PolarHBondContact O-N 3.46Å; N26-F28 VanDerWaalsContact C-N 3.28Å; N26-F28 PolarHBondContact O-N 2.92Å; F28-D30 VanDerWaalsContact C-N 3.32Å; F28-D30 PolarHBondContact O-N 3.16Å; F28-L31 PolarHBondContact O-N 3.36Å; F28-L31 VanDerWaalsContact O-N 3.14Å; F28-T32 WeakPolarHBondContact O-CB 3.47Å; F28-T32 PolarHBondContact O-N 3.36Å; F28-T32 PolarHBondContact O-OG1 3.28Å; F28-T32 VanDerWaalsContact O-OG1 3.05Å; F28-K52 HydrophobicContact CE1-CB 4.49Å; F28-K52 HydrophobicContact CZ-CB 3.84Å; F28-Y53 HydrophobicContact CD1-CD2 4.15Å; F28-Y53 HydrophobicContact CD1-CE1 4.31Å; F28-Y53 AromaticContact CD1-CE2 3.56Å; F28-Y53 HydrophobicContact CD1-CE2 3.56Å; F28-Y53 AromaticContact CD1-CZ 3.65Å; F28-Y53 HydrophobicContact CE1-CD1 4.42Å; F28-Y53 AromaticContact CE1-CD2 3.62Å; F28-Y53 HydrophobicContact CE1-CD2 3.62Å; F28-Y53 HydrophobicContact CE1-CE1 4.34Å; F28-Y53 AromaticContact CE1-CE2 3.54Å; F28-Y53 HydrophobicContact CE1-CE2 3.54Å; F28-Y53 HydrophobicContact CE1-CG 4.07Å; F28-Y53 AromaticContact CE1-CZ 3.92Å; F28-L56 HydrophobicContact CD2-CD1 3.81Å; F28-L56 HydrophobicContact CE1-CD1 4.18Å; F28-L56 HydrophobicContact CE2-CD1 3.14Å; F28-L56 HydrophobicContact CZ-CD1 3.34Å
29I93.6Very high91.1Very high49 Ų49100.7 Ų100.725%0.25149%0.494SS..Hα-helixtrans-56-47.9177.6-66165.7000110.9R25 N26 L31 T32 L33 I49 Y53R25-I29 WeakPolarHBondContact O-CG1 3.47Å; R25-I29 PolarHBondContact O-N 3.12Å; N26-I29 PolarHBondContact O-N 3.36Å; I29-L31 VanDerWaalsContact C-N 3.3Å; I29-L31 PolarHBondContact O-N 2.88Å; I29-T32 PolarHBondContact O-N 3.33Å; I29-L33 HydrophobicContact CG2-CD1 3.77Å; I29-L33 HydrophobicContact CG2-CG 4.22Å; I29-L33 WeakPolarHBondContact O-CB 3.43Å; I29-L33 VanDerWaalsContact O-CG 3.28Å; I29-L33 WeakPolarHBondContact O-CG 3.25Å; I29-L33 PolarHBondContact O-N 3.35Å; I29-I49 HydrophobicContact CG1-CG2 4.36Å; I29-I49 HydrophobicContact CG2-CD1 3.79Å; I29-Y53 HydrophobicContact CG1-CE2 4.13Å
30D94.1Very high92Very high95 Ų9597.9 Ų97.951%0.50848%0.475SS..Hα-helixtrans-61.4-37179.9-72.9-20.3000112.8N26 F28 K34N26-D30 WeakPolarHBondContact O-CB 3.28Å; N26-D30 VanDerWaalsContact O-CG 3.3Å; N26-D30 PolarHBondContact O-N 2.94Å; F28-D30 VanDerWaalsContact C-N 3.32Å; F28-D30 PolarHBondContact O-N 3.16Å; D30-K34 VanDerWaalsContact O-CG 3.31Å; D30-K34 WeakPolarHBondContact O-CG 3.27Å; D30-K34 PolarHBondContact O-N 3.06Å
31L95.3Very high92.7Very high108 Ų10894.3 Ų94.357%0.56547%0.467SS*.Hα-helixtrans-73.2-45.6177.5-72.9170.8000111.2K27 F28 I29 L33 K34K27-L31 WeakPolarHBondContact O-CB 3.37Å; K27-L31 VanDerWaalsContact O-CG 3.24Å; K27-L31 WeakPolarHBondContact O-CG 3.15Å; K27-L31 PolarHBondContact O-N 3.15Å; F28-L31 PolarHBondContact O-N 3.36Å; F28-L31 VanDerWaalsContact O-N 3.14Å; I29-L31 VanDerWaalsContact C-N 3.3Å; I29-L31 PolarHBondContact O-N 2.88Å; L31-L33 VanDerWaalsContact C-N 3.31Å; L31-L33 PolarHBondContact O-N 2.93Å; L31-K34 WeakPolarHBondContact O-CB 3.4Å; L31-K34 PolarHBondContact O-N 3.01Å; L31-K34 VanDerWaalsContact O-N 3.12Å
32T94.2Very high93.3Very high6 Ų693.6 Ų93.64%0.03747%0.474CS..Hα-helixtrans-60.5-40.9177.5-610000111.7F28 I29 K34 E35 Y48 I49 K52F28-T32 WeakPolarHBondContact O-CB 3.47Å; F28-T32 PolarHBondContact O-N 3.36Å; F28-T32 PolarHBondContact O-OG1 3.28Å; F28-T32 VanDerWaalsContact O-OG1 3.05Å; I29-T32 PolarHBondContact O-N 3.33Å; T32-K34 PolarHBondContact O-N 3.41Å; T32-E35 WeakPolarHBondContact O-CB 3.19Å; T32-E35 PolarHBondContact O-N 3.49Å; T32-Y48 HydrophobicContact CG2-CD1 3.58Å; T32-Y48 HydrophobicContact CG2-CE1 3.54Å; T32-I49 HydrophobicContact CG2-CG1 4.36Å; T32-K52 HydrophobicContact CG2-CB 4.07Å; T32-K52 HydrophobicContact CG2-CG 3.8Å
33L94.3Very high93.8Very high52 Ų5293.8 Ų93.827%0.27248%0.48SS..Hα-helixtrans-66.9-22.8178-74.3178.1000113.7I29 L31 E35 L36 K45 I49I29-L33 HydrophobicContact CG2-CD1 3.77Å; I29-L33 HydrophobicContact CG2-CG 4.22Å; I29-L33 WeakPolarHBondContact O-CB 3.43Å; I29-L33 VanDerWaalsContact O-CG 3.28Å; I29-L33 WeakPolarHBondContact O-CG 3.25Å; I29-L33 PolarHBondContact O-N 3.35Å; L31-L33 VanDerWaalsContact C-N 3.31Å; L31-L33 PolarHBondContact O-N 2.93Å; L33-E35 VanDerWaalsContact C-N 3.27Å; L33-L36 HydrophobicContact CD2-CD1 4.35Å; L33-L36 PolarHBondContact O-N 3.3Å; L33-K45 HydrophobicContact CD2-CB 3.68Å; L33-K45 HydrophobicContact CD2-CD 4.12Å; L33-K45 HydrophobicContact CD2-CG 3.73Å; L33-I49 HydrophobicContact CD1-CD1 4.21Å; L33-I49 HydrophobicContact CD2-CD1 3.69Å; L33-I49 HydrophobicContact CD2-CG1 4.14Å; L33-I49 HydrophobicContact CG-CD1 3.93Å; L33-I49 HydrophobicContact CG-CG1 4.41Å
34K95.2Very high94.1Very high161 Ų16189.9 Ų89.970%0.747%0.469SS*.Hα-helixtrans-73.7-18.9175.5-73.9170.2-176.4-177.90113.3D30 L31 T32 L36D30-K34 VanDerWaalsContact O-CG 3.31Å; D30-K34 WeakPolarHBondContact O-CG 3.27Å; D30-K34 PolarHBondContact O-N 3.06Å; L31-K34 WeakPolarHBondContact O-CB 3.4Å; L31-K34 PolarHBondContact O-N 3.01Å; L31-K34 VanDerWaalsContact O-N 3.12Å; T32-K34 PolarHBondContact O-N 3.41Å; K34-L36 VanDerWaalsContact C-N 3.26Å
35E94.5Very high94.5Very high133 Ų13384.9 Ų84.962%0.62145%0.447SS*.THydrogen-bonded Turntrans-77.4-18.2175.9-58-173.2131.500111.8T32 L33 Y48T32-E35 WeakPolarHBondContact O-CB 3.19Å; T32-E35 PolarHBondContact O-N 3.49Å; L33-E35 VanDerWaalsContact C-N 3.27Å; E35-Y48 HydrophobicContact CB-CE1 4.38Å; E35-Y48 PolarHBondContact OE2-OH 3.34Å
36L93.7Very high94.8Very high29 Ų2987.1 Ų87.115%0.15246%0.46CS..SBendtrans-89.3150.5176.4-67.3176.3000111.8L33 K34 Q38 A40 K45 Y48L33-L36 HydrophobicContact CD2-CD1 4.35Å; L33-L36 PolarHBondContact O-N 3.3Å; K34-L36 VanDerWaalsContact C-N 3.26Å; L36-Q38 PolarHBondContact O-N 3.44Å; L36-A40 HydrophobicContact CB-CB 4.39Å; L36-K45 HydrophobicContact CD1-CB 4.3Å; L36-K45 HydrophobicContact CD1-CG 3.83Å; L36-Y48 HydrophobicContact CD1-CD1 3.64Å; L36-Y48 HydrophobicContact CD1-CG 3.96Å; L36-Y48 HydrophobicContact CD2-CD1 3.86Å; L36-Y48 HydrophobicContact CD2-CD2 4.31Å; L36-Y48 HydrophobicContact CD2-CE1 4.17Å; L36-Y48 HydrophobicContact CD2-CG 3.93Å; L36-Y48 HydrophobicContact CG-CD1 3.65Å; L36-Y48 HydrophobicContact CG-CE1 4.04Å; L36-Y48 HydrophobicContact CG-CG 4.15Å
37P94.5Very high95.1Very high84 Ų8489.5 Ų89.555%0.54547%0.468SS..  trans-55.1140.3167.9-21.831.5000111.1S39 A40P37-S39 PolarHBondContact O-N 2.94Å; P37-S39 VanDerWaalsContact O-N 3.15Å; P37-A40 WeakPolarHBondContact O-CB 3.34Å; P37-A40 PolarHBondContact O-N 3.34Å
38Q90.8Very high95.2Very high187 Ų18785.8 Ų85.887%0.87445%0.451SS*.THydrogen-bonded Turntrans-57.9-33.3178.5-73.3-171.4-12.400112.6L36 A40 K45L36-Q38 PolarHBondContact O-N 3.44Å; Q38-A40 PolarHBondContact O-N 3.48Å; Q38-K45 PolarHBondContact O-NZ 3.05Å; Q38-K45 VanDerWaalsContact O-NZ 3.16Å
39S95.8Very high95.4Very high113 Ų11384.9 Ų84.979%0.7945%0.448SS*.THydrogen-bonded Turntrans-75-3.1177.255.50000114.6P37 S41P37-S39 PolarHBondContact O-N 2.94Å; P37-S39 VanDerWaalsContact O-N 3.15Å; S39-S41 PolarHBondContact O-N 3.19Å
40A95.8Very high95.5Very high17 Ų1785.3 Ų85.314%0.1445%0.454CS..  trans-60.1136.6176.200000110.7L36 P37 Q38 V44 K45L36-A40 HydrophobicContact CB-CB 4.39Å; P37-A40 WeakPolarHBondContact O-CB 3.34Å; P37-A40 PolarHBondContact O-N 3.34Å; Q38-A40 PolarHBondContact O-N 3.48Å; A40-V44 HydrophobicContact CB-CB 4.5Å; A40-V44 HydrophobicContact CB-CG1 4.2Å; A40-K45 HydrophobicContact CB-CG 4.22Å; A40-K45 WeakPolarHBondContact O-CE 3.43Å; A40-K45 PolarHBondContact O-NZ 2.88Å
41S97.5Very high95.6Very high59 Ų5985.7 Ų85.741%0.41345%0.453SS..  trans-64.1159.7177.469.10000111S39 D43 V44 K45S39-S41 PolarHBondContact O-N 3.19Å; S41-D43 PolarHBondContact O-N 3.31Å; S41-V44 PolarHBondContact O-N 2.87Å; S41-V44 WeakPolarHBondContact OG-CG2 3.31Å; S41-V44 PolarHBondContact OG-N 3.17Å; S41-K45 WeakPolarHBondContact O-CG 3.42Å; S41-K45 PolarHBondContact O-N 3.35Å
42S95.8Very high95.7Very high96 Ų9683 Ų8367%0.67144%0.437SS*.Hα-helixtrans-59.2-36.8176.9-58.30000112.1K45 F46S42-K45 PolarHBondContact O-N 2.94Å; S42-F46 WeakPolarHBondContact O-CB 3.49Å; S42-F46 PolarHBondContact O-N 3.48Å
43D97.7Very high95.7Very high120 Ų12086.6 Ų86.664%0.64245%0.45SS*.Hα-helixtrans-64.7-46178.7-58.2-35.6000111.2S41 K45 F46 E47S41-D43 PolarHBondContact O-N 3.31Å; D43-K45 VanDerWaalsContact C-N 3.32Å; D43-K45 PolarHBondContact O-N 3.14Å; D43-F46 PolarHBondContact O-N 3.29Å; D43-F46 VanDerWaalsContact O-N 3.17Å; D43-E47 PolarHBondContact O-N 3.39Å
44V96.8Very high95.7Very high64 Ų6491 Ų9139%0.38846%0.464SS..Hα-helixtrans-61.7-42.2176.3171.70000111A40 S41 F46 Y48A40-V44 HydrophobicContact CB-CB 4.5Å; A40-V44 HydrophobicContact CB-CG1 4.2Å; S41-V44 PolarHBondContact O-N 2.87Å; S41-V44 WeakPolarHBondContact OG-CG2 3.31Å; S41-V44 PolarHBondContact OG-N 3.17Å; V44-F46 VanDerWaalsContact C-N 3.33Å; V44-F46 PolarHBondContact O-N 3.12Å; V44-Y48 VanDerWaalsContact O-CB 3.27Å; V44-Y48 WeakPolarHBondContact O-CB 3.24Å; V44-Y48 PolarHBondContact O-N 3.02Å
45K96.3Very high95.8Very high57 Ų5786.7 Ų86.725%0.24845%0.446CS..Hα-helixtrans-61.3-43.2175.9-75172.8179156.80111.5L33 L36 Q38 A40 S41 S42 D43 I49L33-K45 HydrophobicContact CD2-CB 3.68Å; L33-K45 HydrophobicContact CD2-CD 4.12Å; L33-K45 HydrophobicContact CD2-CG 3.73Å; L36-K45 HydrophobicContact CD1-CB 4.3Å; L36-K45 HydrophobicContact CD1-CG 3.83Å; Q38-K45 PolarHBondContact O-NZ 3.05Å; Q38-K45 VanDerWaalsContact O-NZ 3.16Å; A40-K45 HydrophobicContact CB-CG 4.22Å; A40-K45 WeakPolarHBondContact O-CE 3.43Å; A40-K45 PolarHBondContact O-NZ 2.88Å; S41-K45 WeakPolarHBondContact O-CG 3.42Å; S41-K45 PolarHBondContact O-N 3.35Å; S42-K45 PolarHBondContact O-N 2.94Å; D43-K45 VanDerWaalsContact C-N 3.32Å; D43-K45 PolarHBondContact O-N 3.14Å; K45-I49 WeakPolarHBondContact O-CD1 3.49Å; K45-I49 VanDerWaalsContact O-CG1 3.25Å; K45-I49 WeakPolarHBondContact O-CG1 3.46Å; K45-I49 PolarHBondContact O-N 3.03Å
46F96.4Very high95.7Very high136 Ų13684.4 Ų84.460%0.59644%0.438SS*.Hα-helixtrans-65.7-52179.1178.8-98.3000111.9S42 D43 V44 Y48 I49 C50S42-F46 WeakPolarHBondContact O-CB 3.49Å; S42-F46 PolarHBondContact O-N 3.48Å; D43-F46 PolarHBondContact O-N 3.29Å; D43-F46 VanDerWaalsContact O-N 3.17Å; V44-F46 VanDerWaalsContact C-N 3.33Å; V44-F46 PolarHBondContact O-N 3.12Å; F46-Y48 VanDerWaalsContact C-N 3.26Å; F46-Y48 PolarHBondContact O-N 3.49Å; F46-I49 PolarHBondContact O-N 3.41Å; F46-C50 VanDerWaalsContact CZ-SG 3.58Å; F46-C50 PolarHBondContact O-N 3.18Å; F46-C50 PolarHBondContact O-SG 3.4Å
47E97.2Very high95.6Very high136 Ų13689.3 Ų89.364%0.63646%0.456SS*.Hα-helixtrans-56-43.3177.9-75.9-176.4169.700111.5D43 C50 Q51D43-E47 PolarHBondContact O-N 3.39Å; E47-C50 WeakPolarHBondContact O-CB 3.48Å; E47-C50 PolarHBondContact O-N 3.37Å; E47-Q51 WeakPolarHBondContact O-CB 3.47Å; E47-Q51 PolarHBondContact O-N 3.31Å
48Y96.7Very high95.6Very high52 Ų5288.3 Ų88.320%0.20444%0.444CS..Hα-helixtrans-65.3-43.1179-169.4-114.5000112.9T32 E35 L36 V44 F46 C50 Q51 K52T32-Y48 HydrophobicContact CG2-CD1 3.58Å; T32-Y48 HydrophobicContact CG2-CE1 3.54Å; E35-Y48 HydrophobicContact CB-CE1 4.38Å; E35-Y48 PolarHBondContact OE2-OH 3.34Å; L36-Y48 HydrophobicContact CD1-CD1 3.64Å; L36-Y48 HydrophobicContact CD1-CG 3.96Å; L36-Y48 HydrophobicContact CD2-CD1 3.86Å; L36-Y48 HydrophobicContact CD2-CD2 4.31Å; L36-Y48 HydrophobicContact CD2-CE1 4.17Å; L36-Y48 HydrophobicContact CD2-CG 3.93Å; L36-Y48 HydrophobicContact CG-CD1 3.65Å; L36-Y48 HydrophobicContact CG-CE1 4.04Å; L36-Y48 HydrophobicContact CG-CG 4.15Å; V44-Y48 VanDerWaalsContact O-CB 3.27Å; V44-Y48 WeakPolarHBondContact O-CB 3.24Å; V44-Y48 PolarHBondContact O-N 3.02Å; F46-Y48 VanDerWaalsContact C-N 3.26Å; F46-Y48 PolarHBondContact O-N 3.49Å; Y48-C50 VanDerWaalsContact C-N 3.33Å; Y48-C50 PolarHBondContact O-N 2.88Å; Y48-Q51 PolarHBondContact O-N 3.49Å; Y48-K52 HydrophobicContact CD1-CG 4.39Å; Y48-K52 HydrophobicContact CE1-CG 4.09Å; Y48-K52 HydrophobicContact CE2-CG 4.35Å; Y48-K52 WeakPolarHBondContact O-CB 3.49Å; Y48-K52 WeakPolarHBondContact O-CG 3.21Å; Y48-K52 PolarHBondContact O-N 2.93Å; Y48-K52 WeakPolarHBondContact OH-CE 3.38Å
49I96.3Very high95.8Very high28 Ų2884 Ų8414%0.14443%0.426CS..Hα-helixtrans-60.4-45.3174.3-70.8163.2000110.2I29 T32 L33 K45 F46 Q51 K52 Y53I29-I49 HydrophobicContact CG1-CG2 4.36Å; I29-I49 HydrophobicContact CG2-CD1 3.79Å; T32-I49 HydrophobicContact CG2-CG1 4.36Å; L33-I49 HydrophobicContact CD1-CD1 4.21Å; L33-I49 HydrophobicContact CD2-CD1 3.69Å; L33-I49 HydrophobicContact CD2-CG1 4.14Å; L33-I49 HydrophobicContact CG-CD1 3.93Å; L33-I49 HydrophobicContact CG-CG1 4.41Å; K45-I49 WeakPolarHBondContact O-CD1 3.49Å; K45-I49 VanDerWaalsContact O-CG1 3.25Å; K45-I49 WeakPolarHBondContact O-CG1 3.46Å; K45-I49 PolarHBondContact O-N 3.03Å; F46-I49 PolarHBondContact O-N 3.41Å; I49-Q51 PolarHBondContact O-N 2.98Å; I49-K52 PolarHBondContact O-N 3.08Å; I49-Y53 HydrophobicContact CG2-CD2 3.67Å; I49-Y53 HydrophobicContact CG2-CE2 3.93Å; I49-Y53 WeakPolarHBondContact O-CB 3.48Å; I49-Y53 WeakPolarHBondContact O-CD2 3.48Å; I49-Y53 PolarHBondContact O-N 2.88Å
50C96Very high95.6Very high58 Ų5885 Ų8539%0.39242%0.419SS..Hα-helixtrans-59.9-45.3177.7-75.10000111.8F46 E47 Y48 Y53 Y54F46-C50 VanDerWaalsContact CZ-SG 3.58Å; F46-C50 PolarHBondContact O-N 3.18Å; F46-C50 PolarHBondContact O-SG 3.4Å; E47-C50 WeakPolarHBondContact O-CB 3.48Å; E47-C50 PolarHBondContact O-N 3.37Å; Y48-C50 VanDerWaalsContact C-N 3.33Å; Y48-C50 PolarHBondContact O-N 2.88Å; C50-Y53 PolarHBondContact O-N 3.48Å; C50-Y54 PolarHBondContact O-N 2.84Å
51Q97.3Very high95.5Very high104 Ų10490.3 Ų90.349%0.48644%0.439SS..Hα-helixtrans-58.9-49.3175.7-177-175.2-28.100111.1E47 Y48 I49 Y53 Y54 E55E47-Q51 WeakPolarHBondContact O-CB 3.47Å; E47-Q51 PolarHBondContact O-N 3.31Å; Y48-Q51 PolarHBondContact O-N 3.49Å; I49-Q51 PolarHBondContact O-N 2.98Å; Q51-Y53 VanDerWaalsContact C-N 3.32Å; Q51-Y53 PolarHBondContact O-N 3.29Å; Q51-Y54 WeakPolarHBondContact O-CB 3.5Å; Q51-Y54 PolarHBondContact O-N 3.02Å; Q51-Y54 VanDerWaalsContact O-N 3.08Å; Q51-E55 PolarHBondContact NE2-OE1 3.02Å; Q51-E55 PolarHBondContact O-N 3.3Å
52K96.3Very high95.4Very high51 Ų5192.1 Ų92.122%0.22244%0.441CS..Hα-helixtrans-65.1-35-179.4-70.9-67.2178.2-163.90113.1F28 T32 Y48 I49 Y54 E55 L56F28-K52 HydrophobicContact CE1-CB 4.49Å; F28-K52 HydrophobicContact CZ-CB 3.84Å; T32-K52 HydrophobicContact CG2-CB 4.07Å; T32-K52 HydrophobicContact CG2-CG 3.8Å; Y48-K52 HydrophobicContact CD1-CG 4.39Å; Y48-K52 HydrophobicContact CE1-CG 4.09Å; Y48-K52 HydrophobicContact CE2-CG 4.35Å; Y48-K52 WeakPolarHBondContact O-CB 3.49Å; Y48-K52 WeakPolarHBondContact O-CG 3.21Å; Y48-K52 PolarHBondContact O-N 2.93Å; Y48-K52 WeakPolarHBondContact OH-CE 3.38Å; I49-K52 PolarHBondContact O-N 3.08Å; K52-Y54 VanDerWaalsContact C-N 3.34Å; K52-E55 WeakPolarHBondContact CD-OE2 3.4Å; K52-E55 IonicContact NZ-OE1 3.96Å; K52-E55 IonicContact NZ-OE2 2.84Å; K52-E55 PolarHBondContact NZ-OE2 3.34Å; K52-L56 PolarHBondContact O-N 3.49Å; K52-L56 VanDerWaalsContact O-N 3.12Å
53Y94.4Very high95.3Very high81 Ų8192 Ų9232%0.31843%0.432SS..Hα-helixtrans-64.5-39.1171.1-100.3-72.2000112.4F28 I29 I49 C50 Q51 L56 Y57F28-Y53 HydrophobicContact CD1-CD2 4.15Å; F28-Y53 HydrophobicContact CD1-CE1 4.31Å; F28-Y53 AromaticContact CD1-CE2 3.56Å; F28-Y53 HydrophobicContact CD1-CE2 3.56Å; F28-Y53 AromaticContact CD1-CZ 3.65Å; F28-Y53 HydrophobicContact CE1-CD1 4.42Å; F28-Y53 AromaticContact CE1-CD2 3.62Å; F28-Y53 HydrophobicContact CE1-CD2 3.62Å; F28-Y53 HydrophobicContact CE1-CE1 4.34Å; F28-Y53 AromaticContact CE1-CE2 3.54Å; F28-Y53 HydrophobicContact CE1-CE2 3.54Å; F28-Y53 HydrophobicContact CE1-CG 4.07Å; F28-Y53 AromaticContact CE1-CZ 3.92Å; I29-Y53 HydrophobicContact CG1-CE2 4.13Å; I49-Y53 HydrophobicContact CG2-CD2 3.67Å; I49-Y53 HydrophobicContact CG2-CE2 3.93Å; I49-Y53 WeakPolarHBondContact O-CB 3.48Å; I49-Y53 WeakPolarHBondContact O-CD2 3.48Å; I49-Y53 PolarHBondContact O-N 2.88Å; C50-Y53 PolarHBondContact O-N 3.48Å; Q51-Y53 VanDerWaalsContact C-N 3.32Å; Q51-Y53 PolarHBondContact O-N 3.29Å; Y53-L56 PolarHBondContact O-N 3.26Å; Y53-Y57 WeakPolarHBondContact O-CB 3.45Å; Y53-Y57 PolarHBondContact O-N 2.95Å
54Y95.6Very high95.2Very high146 Ų14689.3 Ų89.357%0.57342%0.423SS*.Hα-helixtrans-66.9-43.9177.8-176.4-102.5000112.1C50 Q51 K52 L56 Y57 Q58C50-Y54 PolarHBondContact O-N 2.84Å; Q51-Y54 WeakPolarHBondContact O-CB 3.5Å; Q51-Y54 PolarHBondContact O-N 3.02Å; Q51-Y54 VanDerWaalsContact O-N 3.08Å; K52-Y54 VanDerWaalsContact C-N 3.34Å; Y54-L56 PolarHBondContact O-N 3.12Å; Y54-Y57 PolarHBondContact O-N 2.93Å; Y54-Q58 HydrophobicContact CD1-CG 4.36Å; Y54-Q58 HydrophobicContact CE1-CG 3.97Å; Y54-Q58 HydrophobicContact CE2-CG 4.5Å; Y54-Q58 VanDerWaalsContact CZ-NE2 3.27Å; Y54-Q58 WeakPolarHBondContact O-CG 3.42Å; Y54-Q58 PolarHBondContact O-N 3.02Å; Y54-Q58 PolarHBondContact OH-NE2 2.94Å
55E95.7Very high95Very high69 Ų6989.1 Ų89.132%0.32242%0.424SS..Hα-helixtrans-54.6-51.3173-73171.3-163.300110.8Q51 K52 Y57 Q58 D59Q51-E55 PolarHBondContact NE2-OE1 3.02Å; Q51-E55 PolarHBondContact O-N 3.3Å; K52-E55 WeakPolarHBondContact CD-OE2 3.4Å; K52-E55 IonicContact NZ-OE1 3.96Å; K52-E55 IonicContact NZ-OE2 2.84Å; K52-E55 PolarHBondContact NZ-OE2 3.34Å; E55-Y57 VanDerWaalsContact C-N 3.31Å; E55-Y57 PolarHBondContact O-N 3.06Å; E55-Q58 PolarHBondContact O-N 3.23Å; E55-Q58 VanDerWaalsContact O-N 3.14Å; E55-D59 PolarHBondContact O-N 3.39Å
56L92.6Very high95Very high85 Ų8591.5 Ų91.545%0.44544%0.435SS..Hα-helixtrans-58.4-39.6177.6-106.3158000113.7F28 K52 Y53 Y54 Q60F28-L56 HydrophobicContact CD2-CD1 3.81Å; F28-L56 HydrophobicContact CE1-CD1 4.18Å; F28-L56 HydrophobicContact CE2-CD1 3.14Å; F28-L56 HydrophobicContact CZ-CD1 3.34Å; K52-L56 PolarHBondContact O-N 3.49Å; K52-L56 VanDerWaalsContact O-N 3.12Å; Y53-L56 PolarHBondContact O-N 3.26Å; Y54-L56 PolarHBondContact O-N 3.12Å; L56-Q60 WeakPolarHBondContact O-CB 3.46Å; L56-Q60 PolarHBondContact O-N 3.47Å
57Y92.2Very high94.9Very high133 Ų13389.8 Ų89.852%0.52243%0.432SS..Hα-helixtrans-66.5-40.8177.9175.6-104.5000111.8Y53 Y54 E55 Q60 K61Y53-Y57 WeakPolarHBondContact O-CB 3.45Å; Y53-Y57 PolarHBondContact O-N 2.95Å; Y54-Y57 PolarHBondContact O-N 2.93Å; E55-Y57 VanDerWaalsContact C-N 3.31Å; E55-Y57 PolarHBondContact O-N 3.06Å; Y57-Q60 PolarHBondContact O-N 3.12Å; Y57-K61 WeakPolarHBondContact O-CB 3.44Å; Y57-K61 PolarHBondContact O-N 2.91Å
58Q95.1Very high94.8Very high63 Ų6389.6 Ų89.629%0.29443%0.429SS..Hα-helixtrans-65-44.4176-66.9-61.2-22.900111.5Y54 E55 Q60 K61 E62Y54-Q58 HydrophobicContact CD1-CG 4.36Å; Y54-Q58 HydrophobicContact CE1-CG 3.97Å; Y54-Q58 HydrophobicContact CE2-CG 4.5Å; Y54-Q58 VanDerWaalsContact CZ-NE2 3.27Å; Y54-Q58 WeakPolarHBondContact O-CG 3.42Å; Y54-Q58 PolarHBondContact O-N 3.02Å; Y54-Q58 PolarHBondContact OH-NE2 2.94Å; E55-Q58 PolarHBondContact O-N 3.23Å; E55-Q58 VanDerWaalsContact O-N 3.14Å; Q58-Q60 VanDerWaalsContact C-N 3.31Å; Q58-Q60 PolarHBondContact O-N 3Å; Q58-K61 WeakPolarHBondContact O-CB 3.32Å; Q58-K61 PolarHBondContact O-N 3.4Å; Q58-K61 VanDerWaalsContact O-N 3.12Å; Q58-E62 PolarHBondContact O-N 2.98Å
59D94.3Very high94.8Very high95 Ų9592.4 Ų92.451%0.50844%0.444SS..Hα-helixtrans-59.3-42.6176.2-73.9-8.4000111.7E55 K61 E62 N63E55-D59 PolarHBondContact O-N 3.39Å; D59-K61 VanDerWaalsContact C-N 3.34Å; D59-K61 PolarHBondContact O-N 3.38Å; D59-E62 PolarHBondContact O-N 3.45Å; D59-N63 WeakPolarHBondContact O-CB 3.39Å; D59-N63 PolarHBondContact O-N 3.48Å
60Q92.6Very high94.8Very high135 Ų13597.4 Ų97.463%0.63147%0.465SS*.Hα-helixtrans-63-42.2176.3-172.7-178.138.700111.6L56 Y57 Q58 S64L56-Q60 WeakPolarHBondContact O-CB 3.46Å; L56-Q60 PolarHBondContact O-N 3.47Å; Y57-Q60 PolarHBondContact O-N 3.12Å; Q58-Q60 VanDerWaalsContact C-N 3.31Å; Q58-Q60 PolarHBondContact O-N 3Å; Q60-S64 VanDerWaalsContact O-CB 3.32Å; Q60-S64 WeakPolarHBondContact O-CB 3.36Å; Q60-S64 PolarHBondContact O-N 2.86Å
61K93Very high94.9Very high128 Ų128100.1 Ų100.156%0.55747%0.472SS*.Hα-helixtrans-64.2-44.2177.8-175.6-174.4174.2-169.90111.2Y57 Q58 D59 S64 S65Y57-K61 WeakPolarHBondContact O-CB 3.44Å; Y57-K61 PolarHBondContact O-N 2.91Å; Q58-K61 WeakPolarHBondContact O-CB 3.32Å; Q58-K61 PolarHBondContact O-N 3.4Å; Q58-K61 VanDerWaalsContact O-N 3.12Å; D59-K61 VanDerWaalsContact C-N 3.34Å; D59-K61 PolarHBondContact O-N 3.38Å; K61-S64 PolarHBondContact O-N 3.22Å; K61-S65 PolarHBondContact O-N 3.42Å; K61-S65 VanDerWaalsContact O-N 3.07Å
62E94.8Very high94.8Very high98 Ų98100.7 Ų100.746%0.45847%0.474SS..Hα-helixtrans-62.7-48.6177.1-173.3-177.7138.400111.3Q58 D59 S64 S65 K66Q58-E62 PolarHBondContact O-N 2.98Å; D59-E62 PolarHBondContact O-N 3.45Å; E62-S64 VanDerWaalsContact C-N 3.32Å; E62-S64 PolarHBondContact O-N 3.45Å; E62-S65 WeakPolarHBondContact O-CB 3.42Å; E62-S65 PolarHBondContact O-N 2.89Å; E62-S65 VanDerWaalsContact O-N 3.1Å; E62-K66 HydrophobicContact CG-CD 4.33Å; E62-K66 PolarHBondContact O-N 3.37Å; E62-K66 WeakPolarHBondContact OE1-CE 3.43Å; E62-K66 IonicContact OE1-NZ 2.59Å; E62-K66 PolarHBondContact OE1-NZ 3.14Å
63N94.3Very high94.9Very high92 Ų92101.2 Ų101.249%0.49249%0.485SS..Hα-helixtrans-62.5-38.5178.5-78.9-13000112.4D59 S65 K66 N67D59-N63 WeakPolarHBondContact O-CB 3.39Å; D59-N63 PolarHBondContact O-N 3.48Å; N63-S65 VanDerWaalsContact C-N 3.32Å; N63-S65 PolarHBondContact O-N 2.86Å; N63-K66 PolarHBondContact O-N 3.07Å; N63-N67 WeakPolarHBondContact O-CB 3.17Å; N63-N67 PolarHBondContact O-N 3.04Å
64S94.5Very high95Very high64 Ų64101.9 Ų101.945%0.44849%0.493SS..Hα-helixtrans-61.1-41.9173.5-175.20000111.7Q60 K61 E62 K68Q60-S64 VanDerWaalsContact O-CB 3.32Å; Q60-S64 WeakPolarHBondContact O-CB 3.36Å; Q60-S64 PolarHBondContact O-N 2.86Å; K61-S64 PolarHBondContact O-N 3.22Å; E62-S64 VanDerWaalsContact C-N 3.32Å; E62-S64 PolarHBondContact O-N 3.45Å; S64-K68 WeakPolarHBondContact O-CG 3.34Å; S64-K68 PolarHBondContact O-N 3.1Å; S64-K68 VanDerWaalsContact O-N 3.11Å
65S93.4Very high95.1Very high60 Ų60101 Ų10142%0.4249%0.494SS..Hα-helixtrans-64.1-46.3175.4-173.80000112.2K61 E62 N63 N67 K68 Q69K61-S65 PolarHBondContact O-N 3.42Å; K61-S65 VanDerWaalsContact O-N 3.07Å; E62-S65 WeakPolarHBondContact O-CB 3.42Å; E62-S65 PolarHBondContact O-N 2.89Å; E62-S65 VanDerWaalsContact O-N 3.1Å; N63-S65 VanDerWaalsContact C-N 3.32Å; N63-S65 PolarHBondContact O-N 2.86Å; S65-N67 PolarHBondContact O-N 3.28Å; S65-K68 PolarHBondContact O-N 3Å; S65-Q69 PolarHBondContact O-N 3.47Å
66K95.8Very high95.1Very high107 Ų107104.1 Ų104.147%0.46551%0.509SS..Hα-helixtrans-61-42.8177.1-74.9176.7172.51700112E62 N63 K68 Q69 F70E62-K66 HydrophobicContact CG-CD 4.33Å; E62-K66 PolarHBondContact O-N 3.37Å; E62-K66 WeakPolarHBondContact OE1-CE 3.43Å; E62-K66 IonicContact OE1-NZ 2.59Å; E62-K66 PolarHBondContact OE1-NZ 3.14Å; N63-K66 PolarHBondContact O-N 3.07Å; K66-K68 PolarHBondContact O-N 3.47Å; K66-Q69 PolarHBondContact O-N 2.59Å; K66-F70 WeakPolarHBondContact O-CB 3.37Å; K66-F70 PolarHBondContact O-N 3.35Å
67N94.7Very high95.3Very high101 Ų101104.5 Ų104.554%0.5451%0.514SS..Hα-helixtrans-62.4-42.5176.9-80.97.1000111.9N63 S65 Q69 F70 E71N63-N67 WeakPolarHBondContact O-CB 3.17Å; N63-N67 PolarHBondContact O-N 3.04Å; S65-N67 PolarHBondContact O-N 3.28Å; N67-Q69 VanDerWaalsContact C-N 3.34Å; N67-Q69 PolarHBondContact O-N 3.11Å; N67-F70 PolarHBondContact O-N 2.9Å; N67-E71 WeakPolarHBondContact O-CG 3.48Å; N67-E71 PolarHBondContact O-N 3.05Å
68K95.7Very high95.4Very high131 Ų131100.2 Ų100.257%0.5751%0.51SS*.Hα-helixtrans-60.9-42.9174.9-74.7-178.6-179.3-174.70112.3S64 S65 K66 F70 E71 Q72S64-K68 WeakPolarHBondContact O-CG 3.34Å; S64-K68 PolarHBondContact O-N 3.1Å; S64-K68 VanDerWaalsContact O-N 3.11Å; S65-K68 PolarHBondContact O-N 3Å; K66-K68 PolarHBondContact O-N 3.47Å; K68-F70 VanDerWaalsContact C-N 3.33Å; K68-E71 PolarHBondContact O-N 3.44Å; K68-Q72 WeakPolarHBondContact O-CG 3.46Å; K68-Q72 PolarHBondContact O-N 3.47Å
69Q96.2Very high95.4Very high112 Ų112102.7 Ų102.752%0.52353%0.525SS..Hα-helixtrans-62.3-43.1175.6-72176.548.800111.2S65 K66 N67 Q72 S73S65-Q69 PolarHBondContact O-N 3.47Å; K66-Q69 PolarHBondContact O-N 2.59Å; N67-Q69 VanDerWaalsContact C-N 3.34Å; N67-Q69 PolarHBondContact O-N 3.11Å; Q69-Q72 WeakPolarHBondContact O-CB 3.42Å; Q69-Q72 PolarHBondContact O-N 3.26Å; Q69-S73 PolarHBondContact O-N 2.98Å; Q69-S73 PolarHBondContact O-OG 3.28Å
70F96.9Very high95.4Very high132 Ų132100.4 Ų100.458%0.57952%0.519SS*.Hα-helixtrans-63.3-44178.1-175.6-107.7000112.4K66 N67 K68 Q72 S73 I74K66-F70 WeakPolarHBondContact O-CB 3.37Å; K66-F70 PolarHBondContact O-N 3.35Å; N67-F70 PolarHBondContact O-N 2.9Å; K68-F70 VanDerWaalsContact C-N 3.33Å; F70-Q72 VanDerWaalsContact C-N 3.32Å; F70-Q72 PolarHBondContact O-N 3.45Å; F70-S73 PolarHBondContact O-N 2.91Å; F70-I74 HydrophobicContact CD1-CD1 3.75Å; F70-I74 HydrophobicContact CD1-CG1 4.48Å; F70-I74 HydrophobicContact CE1-CD1 3.25Å; F70-I74 HydrophobicContact CE1-CG1 4.16Å; F70-I74 HydrophobicContact CE2-CD1 4.45Å; F70-I74 HydrophobicContact CZ-CD1 3.65Å; F70-I74 HydrophobicContact CZ-CG1 4.21Å; F70-I74 WeakPolarHBondContact O-CG1 3.45Å; F70-I74 PolarHBondContact O-N 3.2Å
71E96.9Very high95.5Very high116 Ų11697.4 Ų97.454%0.54251%0.51SS..Hα-helixtrans-58.8-43.1173.9-75.3173-174.600111.7N67 K68 I74 Q75N67-E71 WeakPolarHBondContact O-CG 3.48Å; N67-E71 PolarHBondContact O-N 3.05Å; K68-E71 PolarHBondContact O-N 3.44Å; E71-I74 PolarHBondContact O-N 2.89Å; E71-Q75 WeakPolarHBondContact O-CG 3.36Å; E71-Q75 PolarHBondContact O-N 3.17Å
72Q96.5Very high95.4Very high115 Ų11596.6 Ų96.654%0.53751%0.508SS..Hα-helixtrans-62.8-42.8174.8-73175.9-17.200112K68 Q69 F70 Q75 Q76K68-Q72 WeakPolarHBondContact O-CG 3.46Å; K68-Q72 PolarHBondContact O-N 3.47Å; Q69-Q72 WeakPolarHBondContact O-CB 3.42Å; Q69-Q72 PolarHBondContact O-N 3.26Å; F70-Q72 VanDerWaalsContact C-N 3.32Å; F70-Q72 PolarHBondContact O-N 3.45Å; Q72-Q75 PolarHBondContact O-N 2.97Å; Q72-Q76 WeakPolarHBondContact O-CG 3.41Å; Q72-Q76 PolarHBondContact O-N 3.48Å
73S97.1Very high95.3Very high62 Ų6297.9 Ų97.943%0.43452%0.515SS..Hα-helixtrans-61.9-42.7175.7-62.30000111.9Q69 F70 Q75 Q76 V77Q69-S73 PolarHBondContact O-N 2.98Å; Q69-S73 PolarHBondContact O-OG 3.28Å; F70-S73 PolarHBondContact O-N 2.91Å; S73-Q75 VanDerWaalsContact C-N 3.34Å; S73-Q75 PolarHBondContact O-N 3.47Å; S73-Q76 PolarHBondContact O-N 2.9Å; S73-V77 WeakPolarHBondContact O-CG2 3.48Å; S73-V77 PolarHBondContact O-N 3.28Å
74I97.5Very high95.2Very high95 Ų9598.2 Ų98.249%0.48752%0.52SS..Hα-helixtrans-60-45.2175.1-72.5175.3000110.7F70 E71 Q76 V77 G78F70-I74 HydrophobicContact CD1-CD1 3.75Å; F70-I74 HydrophobicContact CD1-CG1 4.48Å; F70-I74 HydrophobicContact CE1-CD1 3.25Å; F70-I74 HydrophobicContact CE1-CG1 4.16Å; F70-I74 HydrophobicContact CE2-CD1 4.45Å; F70-I74 HydrophobicContact CZ-CD1 3.65Å; F70-I74 HydrophobicContact CZ-CG1 4.21Å; F70-I74 WeakPolarHBondContact O-CG1 3.45Å; F70-I74 PolarHBondContact O-N 3.2Å; E71-I74 PolarHBondContact O-N 2.89Å; I74-Q76 VanDerWaalsContact C-N 3.35Å; I74-Q76 PolarHBondContact O-N 3.27Å; I74-V77 PolarHBondContact O-N 3.32Å; I74-G78 PolarHBondContact O-N 3.31Å
75Q96.6Very high94.8Very high129 Ų129101.3 Ų101.360%0.60353%0.528SS*.Hα-helixtrans-61-43.4178.4-73.2174.42.600111.8E71 Q72 S73 G78 L79E71-Q75 WeakPolarHBondContact O-CG 3.36Å; E71-Q75 PolarHBondContact O-N 3.17Å; Q72-Q75 PolarHBondContact O-N 2.97Å; S73-Q75 VanDerWaalsContact C-N 3.34Å; S73-Q75 PolarHBondContact O-N 3.47Å; Q75-G78 PolarHBondContact O-N 3.36Å; Q75-L79 WeakPolarHBondContact O-CG 3.4Å; Q75-L79 PolarHBondContact O-N 2.98Å
76Q96.1Very high94.6Very high134 Ų134102.9 Ų102.963%0.62654%0.535SS*.Hα-helixtrans-61.9-44.3176.7-73177.56.200112.2Q72 S73 I74 G78 L79 A80Q72-Q76 WeakPolarHBondContact O-CG 3.41Å; Q72-Q76 PolarHBondContact O-N 3.48Å; S73-Q76 PolarHBondContact O-N 2.9Å; I74-Q76 VanDerWaalsContact C-N 3.35Å; I74-Q76 PolarHBondContact O-N 3.27Å; Q76-G78 VanDerWaalsContact C-N 3.34Å; Q76-L79 PolarHBondContact O-N 3.2Å; Q76-A80 PolarHBondContact O-N 2.88Å
77V96.4Very high94Very high93 Ų93101.9 Ų101.956%0.56455%0.547SS*.Hα-helixtrans-62.3-43.3175.5172.50000110.7S73 I74 L79 A80 V81S73-V77 WeakPolarHBondContact O-CG2 3.48Å; S73-V77 PolarHBondContact O-N 3.28Å; I74-V77 PolarHBondContact O-N 3.32Å; V77-L79 VanDerWaalsContact C-N 3.35Å; V77-L79 PolarHBondContact O-N 2.99Å; V77-A80 PolarHBondContact O-N 3.46Å; V77-V81 HydrophobicContact CG1-CG2 4.32Å; V77-V81 WeakPolarHBondContact O-CG2 3.49Å; V77-V81 PolarHBondContact O-N 2.99Å
78G95.8Very high92.3Very high42 Ų42104.9 Ų104.943%0.43357%0.574SS.*Hα-helixtrans-58.8-43.9176.800000112.8I74 Q75 Q76 V81 H82I74-G78 PolarHBondContact O-N 3.31Å; Q75-G78 PolarHBondContact O-N 3.36Å; Q76-G78 VanDerWaalsContact C-N 3.34Å; G78-V81 PolarHBondContact O-N 2.97Å; G78-H82 WeakPolarHBondContact O-CB 3.38Å; G78-H82 PolarHBondContact O-N 2.99Å
79L94.7Very high92.1Very high116 Ų116103.6 Ų103.661%0.60757%0.574SS**Hα-helixtrans-63.5-43.9174.8-69.6172.7000111.9Q75 Q76 V77 V81 H82 M83Q75-L79 WeakPolarHBondContact O-CG 3.4Å; Q75-L79 PolarHBondContact O-N 2.98Å; Q76-L79 PolarHBondContact O-N 3.2Å; V77-L79 VanDerWaalsContact C-N 3.35Å; V77-L79 PolarHBondContact O-N 2.99Å; L79-V81 PolarHBondContact O-N 3.3Å; L79-H82 PolarHBondContact O-N 3.49Å; L79-M83 WeakPolarHBondContact O-CG 3.35Å; L79-M83 PolarHBondContact O-N 2.91Å
80A93.3Very high91.9Very high46 Ų46103.2 Ų103.238%0.3858%0.577SS.*Hα-helixtrans-61.3-44.5177.900000112.1Q76 V77 M83 V84Q76-A80 PolarHBondContact O-N 2.88Å; V77-A80 PolarHBondContact O-N 3.46Å; A80-M83 PolarHBondContact O-N 3.41Å; A80-V84 WeakPolarHBondContact O-CG2 3.42Å; A80-V84 PolarHBondContact O-N 3.17Å; A80-V84 VanDerWaalsContact O-N 3.1Å
81V94.9Very high91.6Very high73 Ų73101.6 Ų101.644%0.44258%0.577SS.*Hα-helixtrans-61.9-44.8175.7171.80000110.9V77 G78 L79 M83 V84 Q85V77-V81 HydrophobicContact CG1-CG2 4.32Å; V77-V81 WeakPolarHBondContact O-CG2 3.49Å; V77-V81 PolarHBondContact O-N 2.99Å; G78-V81 PolarHBondContact O-N 2.97Å; L79-V81 PolarHBondContact O-N 3.3Å; V81-M83 PolarHBondContact O-N 3.47Å; V81-V84 PolarHBondContact O-N 3.29Å; V81-Q85 HydrophobicContact CG1-CG 4.49Å; V81-Q85 WeakPolarHBondContact O-CG 3.4Å; V81-Q85 PolarHBondContact O-N 2.91Å
82H92Very high91.3Very high110 Ų110100.7 Ų100.751%0.50958%0.579SS.*Hα-helixtrans-60.7-44.7178.1-174.457000111.9G78 L79 V84 Q85 T86G78-H82 WeakPolarHBondContact O-CB 3.38Å; G78-H82 PolarHBondContact O-N 2.99Å; L79-H82 PolarHBondContact O-N 3.49Å; H82-V84 VanDerWaalsContact C-N 3.34Å; H82-V84 PolarHBondContact O-N 3.1Å; H82-Q85 PolarHBondContact O-N 3.38Å; H82-T86 WeakPolarHBondContact O-CG2 3.48Å; H82-T86 PolarHBondContact O-N 3.22Å; H82-T86 PolarHBondContact O-OG1 3.43Å
83M92.2Very high91Very high125 Ų12599.8 Ų99.862%0.61658%0.581SS**Hα-helixtrans-59.3-43.7177.1-72.9-169.3-60.800112.3L79 A80 V81 T86 A87L79-M83 WeakPolarHBondContact O-CG 3.35Å; L79-M83 PolarHBondContact O-N 2.91Å; A80-M83 PolarHBondContact O-N 3.41Å; V81-M83 PolarHBondContact O-N 3.47Å; M83-T86 WeakPolarHBondContact CA-OG1 3.37Å; M83-T86 PolarHBondContact O-N 3.45Å; M83-T86 PolarHBondContact O-OG1 3.24Å; M83-A87 WeakPolarHBondContact O-CB 3.46Å; M83-A87 PolarHBondContact O-N 3.2Å
84V91.2Very high90.6Very high99 Ų99102.3 Ų102.360%0.659%0.591SS**Hα-helixtrans-63.5-42.3176.9173.20000111A80 V81 H82 T86 A87A80-V84 WeakPolarHBondContact O-CG2 3.42Å; A80-V84 PolarHBondContact O-N 3.17Å; A80-V84 VanDerWaalsContact O-N 3.1Å; V81-V84 PolarHBondContact O-N 3.29Å; H82-V84 VanDerWaalsContact C-N 3.34Å; H82-V84 PolarHBondContact O-N 3.1Å; V84-T86 VanDerWaalsContact C-N 3.34Å; V84-T86 PolarHBondContact O-N 3.37Å; V84-A87 PolarHBondContact O-N 2.94Å
85Q86.6Confident90.1Very high129 Ų129102.9 Ų102.960%0.60360%0.598SS**Hα-helixtrans-63.8-37.7177.8-74.9177.2-29.500112.9V81 H82 A87V81-Q85 HydrophobicContact CG1-CG 4.49Å; V81-Q85 WeakPolarHBondContact O-CG 3.4Å; V81-Q85 PolarHBondContact O-N 2.91Å; H82-Q85 PolarHBondContact O-N 3.38Å; Q85-A87 VanDerWaalsContact C-N 3.27Å; Q85-A87 PolarHBondContact O-N 3.47Å
86T89.8Confident89.6Confident94 Ų94100.8 Ų100.858%0.57760%0.598SS**Hα-helixtrans-76.5-13.6178.453.30000114H82 M83 V84H82-T86 WeakPolarHBondContact O-CG2 3.48Å; H82-T86 PolarHBondContact O-N 3.22Å; H82-T86 PolarHBondContact O-OG1 3.43Å; M83-T86 WeakPolarHBondContact CA-OG1 3.37Å; M83-T86 PolarHBondContact O-N 3.45Å; M83-T86 PolarHBondContact O-OG1 3.24Å; V84-T86 VanDerWaalsContact C-N 3.34Å; V84-T86 PolarHBondContact O-N 3.37Å
87A82.6Confident89.1Confident86 Ų8698.1 Ų98.171%0.71160%0.596SS**THydrogen-bonded Turntrans-91.9-4.6179.800000113.7M83 V84 Q85M83-A87 WeakPolarHBondContact O-CB 3.46Å; M83-A87 PolarHBondContact O-N 3.2Å; V84-A87 PolarHBondContact O-N 2.94Å; Q85-A87 VanDerWaalsContact C-N 3.27Å; Q85-A87 PolarHBondContact O-N 3.47Å
88C59.4Low88.4Confident164 Ų16498.5 Ų98.5100%1.10860%0.599SS**  trans-106.80175.3-65.30000110.9

Retrieved 88 of 88 residues in 93.6 ms (Link to these results)